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Tubulin gamma chain

Tubulin is the major constituent of microtubules, protein filaments consisting of alpha- and beta-tubulin heterodimers. Gamma-tubulin is a key component of the gamma-tubulin ring complex (gTuRC) which mediates microtubule nucleation. The gTuRC regulates the minus-end nucleation of alpha-beta tubulin heterodimers that grow into microtubule protafilaments, a critical step in centrosome duplication and spindle formation.

AlphaFold DB , UniProt , Accession A0A077ZES1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1M80.2Confident76Confident62 Ų6236.7 Ų36.731%0.30526%0.261SS..  01550-159.4176.4179.700110I17 Q31 N32 Y33M1-I17 HydrophobicContact CE-CB 3.7Å; M1-I17 HydrophobicContact CE-CD1 3.68Å; M1-I17 HydrophobicContact CE-CG1 4.26Å; M1-I17 HydrophobicContact CE-CG2 3.7Å; M1-I17 HydrophobicContact SD-CB 4.24Å; M1-I17 HydrophobicContact SD-CG2 3.95Å; M1-Q31 PolarHBondContact N-O 3.33Å; M1-N32 WeakPolarHBondContact CB-OD1 3.27Å; M1-N32 PolarHBondContact N-OD1 3.4Å; M1-N32 CarbonylContact O-C 3.53Å; M1-N32 WeakPolarHBondContact O-CA 2.98Å; M1-Y33 PolarHBondContact O-N 2.89Å
2C80Confident76.6Confident70 Ų7037 Ų3747%0.47327%0.274SS..EExtended strand (participates in β ladder)trans-114.8127.9169-176.80000108.1Y33 M100C2-Y33 WeakPolarHBondContact CA-O 3.01Å; C2-M100 HydrophobicContact CB-CE 4.08Å
3H80.8Confident77.3Confident15 Ų1541.4 Ų41.47%0.06929%0.291CS..EExtended strand (participates in β ladder)trans-157.4158.9179.769.4112.2000111.9G10 Y33 S34 I35H3-G10 WeakPolarHBondContact CB-O 3.49Å; H3-Y33 PolarHBondContact N-O 3.23Å; H3-Y33 VanDerWaalsContact N-O 3.13Å; H3-S34 PolarHBondContact NE2-OG 3.03Å; H3-I35 PolarHBondContact O-N 2.72Å; H3-I35 VanDerWaalsContact O-N 3.09Å
4S80.7Confident78Confident40 Ų4038.7 Ų38.728%0.2827%0.273SS..EExtended strand (participates in β ladder)trans-90.2142.3167-179.80000109.4A6 G10 S11S4-A6 PolarHBondContact OG-N 3.39Å; S4-G10 CarbonylContact O-C 3.6Å; S4-S11 PolarHBondContact O-N 3.09Å
5I78.8Confident78.7Confident1 Ų136.7 Ų36.71%0.00526%0.259CS..SBendtrans-80.8-25.3177.8-72.9162.9000111.9S11 I35 F36 N51 S52 T55 L59I5-S11 WeakPolarHBondContact O-CB 3.11Å; I5-I35 PolarHBondContact N-O 3Å; I5-I35 VanDerWaalsContact N-O 3.12Å; I5-F36 HydrophobicContact CD1-CD1 4.05Å; I5-F36 HydrophobicContact CD1-CD2 3.33Å; I5-F36 HydrophobicContact CD1-CE1 3.87Å; I5-F36 HydrophobicContact CD1-CE2 3.1Å; I5-F36 HydrophobicContact CD1-CG 3.8Å; I5-F36 HydrophobicContact CD1-CZ 3.41Å; I5-F36 VanDerWaalsContact CD1-CZ 3.41Å; I5-N51 CarbonylContact O-C 3.53Å; I5-S52 VanDerWaalsContact CG2-CA 3.42Å; I5-S52 WeakPolarHBondContact O-CA 3.31Å; I5-S52 PolarHBondContact O-N 3.42Å; I5-T55 HydrophobicContact CB-CG2 4.43Å; I5-T55 HydrophobicContact CG1-CG2 3.99Å; I5-T55 HydrophobicContact CG2-CG2 4.39Å; I5-T55 PolarHBondContact O-OG1 3.04Å; I5-L59 HydrophobicContact CD1-CD1 4.06Å; I5-L59 HydrophobicContact CG1-CD1 4.12Å
6A70.9Confident79.4Confident5 Ų543.6 Ų43.64%0.04128%0.278CS..SBendtrans-97.9-31.6-171.100000114.9S4 Q48 N51S4-A6 PolarHBondContact OG-N 3.39Å; A6-Q48 HydrophobicContact CB-CB 4.24Å; A6-Q48 HydrophobicContact CB-CG 3.57Å; A6-N51 PolarHBondContact O-ND2 2.9Å
7G72.4Confident80.1Confident23 Ų2344.6 Ų44.624%0.23728%0.28CS..SBendtrans-78.4139.2-174.800000112T9 G10 S11G7-T9 PolarHBondContact O-N 3.3Å; G7-G10 PolarHBondContact O-N 2.77Å; G7-S11 VanDerWaalsContact O-CB 3.26Å; G7-S11 WeakPolarHBondContact O-CB 3.41Å; G7-S11 PolarHBondContact O-N 3.09Å; G7-S11 PolarHBondContact O-OG 3.3Å
8G68.9Low80.7Confident48 Ų4842.3 Ų42.350%0.49527%0.266SS..Hα-helixtrans-54.3-49.4-172.400000114.9S11 G12G8-S11 PolarHBondContact O-OG 2.73Å; G8-S11 VanDerWaalsContact O-OG 3.13Å; G8-G12 PolarHBondContact O-N 3.33Å
9T70.6Confident81.2Confident111 Ų11143.2 Ų43.268%0.68127%0.266SS*.Hα-helixtrans-70-45.2178-45.90000111.6G7 S11 L13G7-T9 PolarHBondContact O-N 3.3Å; T9-S11 VanDerWaalsContact C-N 3.33Å; T9-S11 PolarHBondContact O-N 2.81Å; T9-L13 HydrophobicContact CG2-CB 4.3Å; T9-L13 HydrophobicContact CG2-CD2 4.22Å; T9-L13 WeakPolarHBondContact O-CB 3.49Å; T9-L13 PolarHBondContact O-N 3.48Å
10G72.8Confident81.8Confident25 Ų2543.5 Ų43.526%0.25827%0.27SS..Hα-helixtrans-63.9-36.3-178.100000113.3H3 S4 G7 G14H3-G10 WeakPolarHBondContact CB-O 3.49Å; S4-G10 CarbonylContact O-C 3.6Å; G7-G10 PolarHBondContact O-N 2.77Å; G10-G14 VanDerWaalsContact O-CA 3.27Å; G10-G14 WeakPolarHBondContact O-CA 3.45Å; G10-G14 PolarHBondContact O-N 3.22Å
11S80Confident82.2Confident4 Ų444.4 Ų44.43%0.02827%0.273CS..Hα-helixtrans-77.1-52.7178.361.80000111.5S4 I5 G7 G8 T9 S15 T55S4-S11 PolarHBondContact O-N 3.09Å; I5-S11 WeakPolarHBondContact O-CB 3.11Å; G7-S11 VanDerWaalsContact O-CB 3.26Å; G7-S11 WeakPolarHBondContact O-CB 3.41Å; G7-S11 PolarHBondContact O-N 3.09Å; G7-S11 PolarHBondContact O-OG 3.3Å; G8-S11 PolarHBondContact O-OG 2.73Å; G8-S11 VanDerWaalsContact O-OG 3.13Å; T9-S11 VanDerWaalsContact C-N 3.33Å; T9-S11 PolarHBondContact O-N 2.81Å; S11-S15 VanDerWaalsContact O-CB 3.24Å; S11-S15 WeakPolarHBondContact O-CB 3.43Å; S11-S15 PolarHBondContact O-N 3.43Å; S11-S15 PolarHBondContact O-OG 3.41Å; S11-T55 WeakPolarHBondContact CB-OG1 3.33Å
12G83.4Confident82.7Confident40 Ų4044 Ų4441%0.41227%0.27SS..Hα-helixtrans-72.1-58.4-173.700000112.9G8 G14 S15 Y16G8-G12 PolarHBondContact O-N 3.33Å; G12-G14 PolarHBondContact O-N 3.27Å; G12-S15 PolarHBondContact O-N 3.17Å; G12-Y16 PolarHBondContact O-N 3.5Å
13L85.9Confident83.2Confident94 Ų9446.8 Ų46.849%0.49228%0.28SS..Hα-helixtrans-63.2-35.6176.2-178.663.3000110.8T9 Y16 I17T9-L13 HydrophobicContact CG2-CB 4.3Å; T9-L13 HydrophobicContact CG2-CD2 4.22Å; T9-L13 WeakPolarHBondContact O-CB 3.49Å; T9-L13 PolarHBondContact O-N 3.48Å; L13-Y16 PolarHBondContact O-N 3.32Å; L13-I17 HydrophobicContact CD1-CD1 3.95Å; L13-I17 HydrophobicContact CD1-CG1 4.14Å; L13-I17 HydrophobicContact CD2-CD1 4.4Å; L13-I17 HydrophobicContact CG-CD1 3.78Å; L13-I17 HydrophobicContact CG-CG1 4.36Å; L13-I17 WeakPolarHBondContact O-CB 3.17Å; L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.91Å
14G86.9Confident83.8Confident4 Ų455 Ų554%0.04131%0.311CS..Hα-helixtrans-54.2-53.3173.100000112.9G10 G12 I17 L18G10-G14 VanDerWaalsContact O-CA 3.27Å; G10-G14 WeakPolarHBondContact O-CA 3.45Å; G10-G14 PolarHBondContact O-N 3.22Å; G12-G14 PolarHBondContact O-N 3.27Å; G14-I17 PolarHBondContact O-N 2.6Å; G14-L18 WeakPolarHBondContact O-CB 3.25Å; G14-L18 PolarHBondContact O-N 3.35Å
15S88.5Confident84.4Confident9 Ų958.5 Ų58.56%0.06332%0.318CS..Hα-helixtrans-63.8-44.4179.6-630000111.9S11 G12 I17 L18 E19S11-S15 VanDerWaalsContact O-CB 3.24Å; S11-S15 WeakPolarHBondContact O-CB 3.43Å; S11-S15 PolarHBondContact O-N 3.43Å; S11-S15 PolarHBondContact O-OG 3.41Å; G12-S15 PolarHBondContact O-N 3.17Å; S15-I17 PolarHBondContact O-N 3.09Å; S15-L18 WeakPolarHBondContact O-CB 3.44Å; S15-L18 PolarHBondContact O-N 3.44Å; S15-E19 WeakPolarHBondContact O-CG 3.49Å; S15-E19 PolarHBondContact O-N 3.45Å
16Y89.5Confident84.8Confident146 Ų14663 Ų6357%0.57335%0.35SS*.Hα-helixtrans-63.3-42.9179-178.3-110.9000112.7G12 L13 L18 E19 C20G12-Y16 PolarHBondContact O-N 3.5Å; L13-Y16 PolarHBondContact O-N 3.32Å; Y16-L18 VanDerWaalsContact C-N 3.3Å; Y16-L18 PolarHBondContact O-N 2.69Å; Y16-E19 PolarHBondContact O-N 3.09Å; Y16-C20 VanDerWaalsContact CZ-SG 3.59Å; Y16-C20 WeakPolarHBondContact O-CB 3.4Å; Y16-C20 PolarHBondContact O-N 3.44Å; Y16-C20 PolarHBondContact O-SG 3.1Å
17I90.9Very high85.7Confident61 Ų6172.5 Ų72.531%0.31339%0.39SS..Hα-helixtrans-63.7-39.4174.9-70.6170.6000110.5M1 L13 G14 S15 C20 L21M1-I17 HydrophobicContact CE-CB 3.7Å; M1-I17 HydrophobicContact CE-CD1 3.68Å; M1-I17 HydrophobicContact CE-CG1 4.26Å; M1-I17 HydrophobicContact CE-CG2 3.7Å; M1-I17 HydrophobicContact SD-CB 4.24Å; M1-I17 HydrophobicContact SD-CG2 3.95Å; L13-I17 HydrophobicContact CD1-CD1 3.95Å; L13-I17 HydrophobicContact CD1-CG1 4.14Å; L13-I17 HydrophobicContact CD2-CD1 4.4Å; L13-I17 HydrophobicContact CG-CD1 3.78Å; L13-I17 HydrophobicContact CG-CG1 4.36Å; L13-I17 WeakPolarHBondContact O-CB 3.17Å; L13-I17 VanDerWaalsContact O-CG1 3.27Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 2.91Å; G14-I17 PolarHBondContact O-N 2.6Å; S15-I17 PolarHBondContact O-N 3.09Å; I17-C20 PolarHBondContact O-N 2.95Å; I17-L21 HydrophobicContact CG2-CD1 3.8Å; I17-L21 HydrophobicContact CG2-CG 4.1Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.23Å; I17-L21 WeakPolarHBondContact O-CG 3.28Å; I17-L21 PolarHBondContact O-N 3.06Å
18L90.8Very high86.6Confident4 Ų478.1 Ų78.12%0.02141%0.408CS..Hα-helixtrans-61.2-46.1177.7-178.960.8000111.6G14 S15 Y16 L21 E22 V30 R58 L59 K62G14-L18 WeakPolarHBondContact O-CB 3.25Å; G14-L18 PolarHBondContact O-N 3.35Å; S15-L18 WeakPolarHBondContact O-CB 3.44Å; S15-L18 PolarHBondContact O-N 3.44Å; Y16-L18 VanDerWaalsContact C-N 3.3Å; Y16-L18 PolarHBondContact O-N 2.69Å; L18-L21 PolarHBondContact O-N 3.17Å; L18-E22 PolarHBondContact O-N 3.45Å; L18-V30 HydrophobicContact CD1-CB 4.37Å; L18-V30 HydrophobicContact CD1-CG1 3.56Å; L18-R58 HydrophobicContact CD2-CB 4.28Å; L18-L59 HydrophobicContact CD2-CD2 4.08Å; L18-K62 HydrophobicContact CD1-CB 4.46Å; L18-K62 HydrophobicContact CD2-CB 4.01Å; L18-K62 HydrophobicContact CG-CB 3.83Å
19E91Very high87.7Confident58 Ų5879.2 Ų79.227%0.27140%0.402SS..Hα-helixtrans-59.6-49.4174.4-69.4168.6-170.200110.8S15 Y16 L21 E22 D23 R58 K62S15-E19 WeakPolarHBondContact O-CG 3.49Å; S15-E19 PolarHBondContact O-N 3.45Å; Y16-E19 PolarHBondContact O-N 3.09Å; E19-L21 VanDerWaalsContact C-N 3.3Å; E19-L21 PolarHBondContact O-N 3.25Å; E19-E22 PolarHBondContact O-N 2.95Å; E19-D23 WeakPolarHBondContact O-CB 3.34Å; E19-D23 PolarHBondContact O-N 2.97Å; E19-R58 HydrophobicContact CG-CG 4.3Å; E19-R58 WeakPolarHBondContact OE1-CG 3.49Å; E19-R58 IonicContact OE1-NE 3.09Å; E19-R58 PolarHBondContact OE1-NE 3.43Å; E19-R58 VanDerWaalsContact OE1-NE 3.09Å; E19-K62 HydrophobicContact CG-CG 4.47Å
20C92.7Very high88.7Confident50 Ų5074.8 Ų74.834%0.33838%0.375SS..Hα-helixtrans-60.9-36.4177.7-71.70000113.4Y16 I17 R24Y16-C20 VanDerWaalsContact CZ-SG 3.59Å; Y16-C20 WeakPolarHBondContact O-CB 3.4Å; Y16-C20 PolarHBondContact O-N 3.44Å; Y16-C20 PolarHBondContact O-SG 3.1Å; I17-C20 PolarHBondContact O-N 2.95Å; C20-R24 WeakPolarHBondContact O-CB 3.24Å; C20-R24 PolarHBondContact O-N 3.02Å
21L91.4Very high89.6Confident63 Ų6374.8 Ų74.833%0.3337%0.368SS..Hα-helixtrans-69.8-42.2179.2-79.4174.8000111.5I17 L18 E19 Y25I17-L21 HydrophobicContact CG2-CD1 3.8Å; I17-L21 HydrophobicContact CG2-CG 4.1Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 VanDerWaalsContact O-CG 3.23Å; I17-L21 WeakPolarHBondContact O-CG 3.28Å; I17-L21 PolarHBondContact O-N 3.06Å; L18-L21 PolarHBondContact O-N 3.17Å; E19-L21 VanDerWaalsContact C-N 3.3Å; E19-L21 PolarHBondContact O-N 3.25Å; L21-Y25 HydrophobicContact CD2-CD2 4.04Å; L21-Y25 HydrophobicContact CD2-CE2 4.33Å; L21-Y25 WeakPolarHBondContact O-CA 3.42Å; L21-Y25 VanDerWaalsContact O-CB 3.3Å; L21-Y25 WeakPolarHBondContact O-CB 3.44Å; L21-Y25 PolarHBondContact O-N 3.36Å
22E89Confident90.3Very high54 Ų5474.6 Ų74.625%0.25237%0.367SS..Hα-helixtrans-65.4-47.4176.1-175.7-154.8-17400111L18 E19 R24 Y25 S26 K62L18-E22 PolarHBondContact O-N 3.45Å; E19-E22 PolarHBondContact O-N 2.95Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 2.9Å; E22-Y25 CarbonylContact O-C 3.45Å; E22-Y25 PolarHBondContact O-N 3.23Å; E22-S26 WeakPolarHBondContact O-CA 3.47Å; E22-S26 WeakPolarHBondContact O-CB 3.29Å; E22-S26 PolarHBondContact O-N 3.27Å; E22-K62 IonicContact OE1-NZ 3.98Å; E22-K62 PolarHBondContact OE1-NZ 2.79Å; E22-K62 WeakPolarHBondContact OE2-CD 3.21Å; E22-K62 WeakPolarHBondContact OE2-CE 3.4Å; E22-K62 WeakPolarHBondContact OE2-CG 3.31Å; E22-K62 IonicContact OE2-NZ 3.58Å; E22-K62 PolarHBondContact OE2-NZ 2.77Å
23D91.4Very high90.8Very high127 Ų12773.3 Ų73.368%0.67935%0.35SS*.Hα-helixtrans-59.5-42.6179.5-75.4-14.3000111.6E19E19-D23 WeakPolarHBondContact O-CB 3.34Å; E19-D23 PolarHBondContact O-N 2.97Å
24R94.4Very high91.2Very high189 Ų18968.9 Ų68.971%0.71333%0.326SS*.Hα-helixtrans-83.4-30.7-177.6-169.2170.5-176.8172.81.3113.7C20 E22C20-R24 WeakPolarHBondContact O-CB 3.24Å; C20-R24 PolarHBondContact O-N 3.02Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 2.9Å
25Y91.7Very high91.4Very high112 Ų11269.6 Ų69.644%0.43933%0.329SS..  trans-132.245.7-172.1-56.4-74.7000112.6L21 E22 K27 K28L21-Y25 HydrophobicContact CD2-CD2 4.04Å; L21-Y25 HydrophobicContact CD2-CE2 4.33Å; L21-Y25 WeakPolarHBondContact O-CA 3.42Å; L21-Y25 VanDerWaalsContact O-CB 3.3Å; L21-Y25 WeakPolarHBondContact O-CB 3.44Å; L21-Y25 PolarHBondContact O-N 3.36Å; E22-Y25 CarbonylContact O-C 3.45Å; E22-Y25 PolarHBondContact O-N 3.23Å; Y25-K27 PolarHBondContact O-N 3.16Å; Y25-K28 WeakPolarHBondContact O-CB 3.43Å; Y25-K28 PolarHBondContact O-N 2.77Å
26S88.5Confident91.5Very high95 Ų9569.4 Ų69.466%0.66433%0.327SS*.THydrogen-bonded Turntrans-53.6-22.9-176.460.10000116E22E22-S26 WeakPolarHBondContact O-CA 3.47Å; E22-S26 WeakPolarHBondContact O-CB 3.29Å; E22-S26 PolarHBondContact O-N 3.27Å
27K89.5Confident91.1Very high205 Ų20563.1 Ų63.189%0.89130%0.304SS*.THydrogen-bonded Turntrans-88.5-0.3176.2-62.9-176.1179.8-179.70114.1Y25Y25-K27 PolarHBondContact O-N 3.16Å
28K91.1Very high90Very high142 Ų14261.6 Ų61.662%0.61730%0.297SS*.SBendtrans-102.7146.5-178.9-61.2-60.3-174.8-178.70110Y25Y25-K28 WeakPolarHBondContact O-CB 3.43Å; Y25-K28 PolarHBondContact O-N 2.77Å
29L91.4Very high88.6Confident70 Ų7062.9 Ų62.937%0.36630%0.303SS..  trans-82.4126.7177.1-65170.1000110.1N64 I117 L118 L121L29-N64 WeakPolarHBondContact CA-OD1 3.44Å; L29-N64 HydrophobicContact CD2-CB 4.04Å; L29-I117 HydrophobicContact CD1-CG2 3.78Å; L29-L118 HydrophobicContact CD1-CB 3.85Å; L29-L118 HydrophobicContact CD1-CD1 3.98Å; L29-L121 HydrophobicContact CD1-CD1 4.38Å
30V92.1Very high87.1Confident19 Ų1967 Ų6712%0.11532%0.322CS..  trans-106.6107.1177.5-1730000110L18 S63 N64 C65L18-V30 HydrophobicContact CD1-CB 4.37Å; L18-V30 HydrophobicContact CD1-CG1 3.56Å; V30-S63 PolarHBondContact O-OG 3.22Å; V30-N64 PolarHBondContact N-OD1 3.1Å; V30-N64 PolarHBondContact O-N 2.96Å; V30-N64 VanDerWaalsContact O-N 3.07Å; V30-C65 PolarHBondContact O-N 3.3Å
31Q92.4Very high85.3Confident25 Ų2571.2 Ų71.212%0.11734%0.337CS..EExtended strand (participates in β ladder)trans-98126.2171.7179.6177.174.900110.6M1 Y33 C65 I67 I117M1-Q31 PolarHBondContact N-O 3.33Å; Q31-Y33 HydrophobicContact CG-CE2 4.18Å; Q31-Y33 PolarHBondContact OE1-OH 2.95Å; Q31-C65 CarbonylContact C-O 3.47Å; Q31-C65 WeakPolarHBondContact CA-O 3.34Å; Q31-C65 HydrophobicContact CB-CB 4.38Å; Q31-C65 HydrophobicContact CG-CB 4.23Å; Q31-I67 HydrophobicContact CG-CD1 4.23Å; Q31-I117 HydrophobicContact CB-CD1 4.12Å
32N93.7Very high83.4Confident0 Ų073 Ų730%036%0.361CS..EExtended strand (participates in β ladder)trans-108.8142.1178.1-67.6-44.7000111.4M1 L59 S63 C65 V66 I67M1-N32 WeakPolarHBondContact CB-OD1 3.27Å; M1-N32 PolarHBondContact N-OD1 3.4Å; M1-N32 CarbonylContact O-C 3.53Å; M1-N32 WeakPolarHBondContact O-CA 2.98Å; N32-L59 HydrophobicContact CB-CD2 4.02Å; N32-S63 VanDerWaalsContact ND2-CB 3.31Å; N32-S63 WeakPolarHBondContact ND2-CB 3.45Å; N32-S63 PolarHBondContact ND2-OG 3Å; N32-C65 PolarHBondContact N-O 3.2Å; N32-V66 HydrophobicContact CB-CG2 4.49Å; N32-V66 CarbonylContact O-C 3.53Å; N32-V66 WeakPolarHBondContact O-CA 3.22Å; N32-I67 PolarHBondContact O-N 3.21Å
33Y94.4Very high82Confident13 Ų1372.6 Ų72.65%0.05136%0.364CS..EExtended strand (participates in β ladder)trans-110.3108.8168.6-63.9-95000105.8M1 C2 H3 Q31 I67 M69 M100 S103M1-Y33 PolarHBondContact O-N 2.89Å; C2-Y33 WeakPolarHBondContact CA-O 3.01Å; H3-Y33 PolarHBondContact N-O 3.23Å; H3-Y33 VanDerWaalsContact N-O 3.13Å; Q31-Y33 HydrophobicContact CG-CE2 4.18Å; Q31-Y33 PolarHBondContact OE1-OH 2.95Å; Y33-I67 HydrophobicContact CD1-CB 3.88Å; Y33-I67 HydrophobicContact CD1-CD1 3.97Å; Y33-I67 HydrophobicContact CD1-CG1 4.49Å; Y33-I67 HydrophobicContact CD1-CG2 4.04Å; Y33-I67 HydrophobicContact CE1-CB 4.16Å; Y33-I67 HydrophobicContact CE1-CD1 3.32Å; Y33-I67 HydrophobicContact CE1-CG1 4.29Å; Y33-I67 HydrophobicContact CE1-CG2 4.29Å; Y33-M69 HydrophobicContact CD1-CE 4.06Å; Y33-M100 HydrophobicContact CD1-CG 3.5Å; Y33-M100 VanDerWaalsContact CD1-CG 3.5Å; Y33-M100 HydrophobicContact CD1-SD 4.4Å; Y33-M100 HydrophobicContact CD2-CE 3.84Å; Y33-M100 HydrophobicContact CD2-CG 4.43Å; Y33-M100 HydrophobicContact CE1-CB 4.23Å; Y33-M100 HydrophobicContact CE1-CG 3.66Å; Y33-M100 HydrophobicContact CE2-CE 4.27Å; Y33-M100 HydrophobicContact CG-CE 3.99Å; Y33-M100 HydrophobicContact CG-CG 3.9Å; Y33-M100 HydrophobicContact CG-SD 4.24Å; Y33-S103 WeakPolarHBondContact CE1-OG 3.46Å; Y33-S103 PolarHBondContact OH-OG 3.3Å
34S93.6Very high80.6Confident0 Ų074.6 Ų74.60%038%0.375CS..EExtended strand (participates in β ladder)trans-117.5119.1-169.2-54.60000109.6H3 V66 I67 M69H3-S34 PolarHBondContact NE2-OG 3.03Å; S34-V66 WeakPolarHBondContact OG-CG1 3.42Å; S34-I67 PolarHBondContact N-O 3Å; S34-M69 PolarHBondContact O-N 2.9Å; S34-M69 VanDerWaalsContact O-N 3.15Å
35I92Very high79.4Confident20 Ų2068.3 Ų68.310%0.10336%0.357CS..EExtended strand (participates in β ladder)trans-91.8112.3178.5-56.7172.7000108.4H3 I5 M69 N71 V96H3-I35 PolarHBondContact O-N 2.72Å; H3-I35 VanDerWaalsContact O-N 3.09Å; I5-I35 PolarHBondContact N-O 3Å; I5-I35 VanDerWaalsContact N-O 3.12Å; I35-M69 CarbonylContact C-O 3.6Å; I35-M69 WeakPolarHBondContact CA-O 3.43Å; I35-N71 VanDerWaalsContact CG2-OD1 3.31Å; I35-N71 WeakPolarHBondContact CG2-OD1 3.4Å; I35-V96 HydrophobicContact CD1-CG1 4.47Å; I35-V96 HydrophobicContact CD1-CG2 4.36Å
36F90.1Very high78.6Confident5 Ų566.6 Ų66.62%0.02236%0.358CS..EExtended strand (participates in β ladder)trans-77.3139.6170.7-72.7-113.4000109I5 L56 V68 M69 D70 N71 L253I5-F36 HydrophobicContact CD1-CD1 4.05Å; I5-F36 HydrophobicContact CD1-CD2 3.33Å; I5-F36 HydrophobicContact CD1-CE1 3.87Å; I5-F36 HydrophobicContact CD1-CE2 3.1Å; I5-F36 HydrophobicContact CD1-CG 3.8Å; I5-F36 HydrophobicContact CD1-CZ 3.41Å; I5-F36 VanDerWaalsContact CD1-CZ 3.41Å; F36-L56 HydrophobicContact CE1-CD2 4.02Å; F36-L56 HydrophobicContact CZ-CD2 3.84Å; F36-V68 HydrophobicContact CD2-CG1 3.62Å; F36-V68 HydrophobicContact CE2-CB 4.17Å; F36-V68 HydrophobicContact CE2-CG1 3.51Å; F36-V68 HydrophobicContact CE2-CG2 3.9Å; F36-V68 HydrophobicContact CG-CG1 4.45Å; F36-V68 HydrophobicContact CZ-CG1 4.25Å; F36-V68 HydrophobicContact CZ-CG2 4.41Å; F36-M69 PolarHBondContact N-O 2.83Å; F36-D70 HydrophobicContact CB-CB 3.9Å; F36-D70 WeakPolarHBondContact O-CA 3.3Å; F36-N71 PolarHBondContact O-N 3.14Å; F36-N71 VanDerWaalsContact O-N 3.12Å; F36-L253 HydrophobicContact CD1-CB 4.42Å; F36-L253 HydrophobicContact CD1-CD1 4.37Å; F36-L253 HydrophobicContact CE1-CB 4.21Å; F36-L253 HydrophobicContact CE1-CD1 4.35Å
37S80.9Confident78.3Confident13 Ų1363 Ų639%0.09133%0.332CS..PPolyproline II helixtrans-73.4161.1179.247.80000112.1Q39 Q48S37-Q39 PolarHBondContact O-N 3.28Å; S37-Q48 VanDerWaalsContact CB-CD 3.46Å; S37-Q48 VanDerWaalsContact CB-NE2 3.27Å; S37-Q48 PolarHBondContact OG-NE2 3.45Å; S37-Q48 PolarHBondContact OG-OE1 3Å
38N68.4Low78Confident29 Ų2953.7 Ų53.716%0.15529%0.292CS..PPolyproline II helixtrans-65.7124.9167.5-165.2-8000108.4E40 E41 Q48 T72N38-E40 PolarHBondContact OD1-N 3.49Å; N38-E41 WeakPolarHBondContact ND2-CG 3.38Å; N38-E41 PolarHBondContact ND2-OE2 2.83Å; N38-Q48 PolarHBondContact O-NE2 3.37Å; N38-T72 WeakPolarHBondContact CA-OG1 3.3Å; N38-T72 PolarHBondContact OD1-OG1 3.37Å
39Q61.2Low77.9Confident31 Ų3147.5 Ų47.515%0.14527%0.266CS..SBendtrans-98.6-14.7-177.5-73.6-177.6-8.500112.8S37 T257 Q260S37-Q39 PolarHBondContact O-N 3.28Å; Q39-T257 PolarHBondContact NE2-OG1 3.24Å; Q39-Q260 PolarHBondContact O-NE2 2.88Å
40E58.9Low77.8Confident144 Ų14444.2 Ų44.267%0.67325%0.249SC*.SBendtrans-90.4-33.4-178.7-61.1-169.1149.100112.4N38N38-E40 PolarHBondContact OD1-N 3.49Å
41E55.5Low77.6Confident139 Ų13944.1 Ų44.165%0.6525%0.248SC*.SBendtrans-85147175.7-71.8173.8169.700110.9N38 S43N38-E41 WeakPolarHBondContact ND2-CG 3.38Å; N38-E41 PolarHBondContact ND2-OE2 2.83Å; E41-S43 PolarHBondContact O-N 3.14Å
42A51.8Low77.5Confident101 Ų10143.2 Ų43.284%0.83524%0.244SC*.  trans-58.999.8170.500000108.4D44A42-D44 PolarHBondContact O-N 3.31Å
43S58.2Low77.5Confident45 Ų4543.2 Ų43.232%0.31524%0.244SC..  trans-62.8135.2174.658.40000109.4E41 V45 Q48E41-S43 PolarHBondContact O-N 3.14Å; S43-V45 PolarHBondContact O-N 3.24Å; S43-V45 PolarHBondContact OG-O 3.2Å; S43-Q48 PolarHBondContact OG-OE1 3.26Å
44D61.7Low77.3Confident169 Ų16943.4 Ų43.490%0.90425%0.246SC*.SBendtrans-56.9-23.4175.3-64.5-37.5000112.6A42A42-D44 PolarHBondContact O-N 3.31Å
45V70.2Confident77.3Confident58 Ų5843.5 Ų43.535%0.35225%0.246SC..  trans-94.1102.3-179.7-174.20000110.6S43 V47 Q48S43-V45 PolarHBondContact O-N 3.24Å; S43-V45 PolarHBondContact OG-O 3.2Å; V45-V47 HydrophobicContact CG1-CG2 3.75Å; V45-V47 PolarHBondContact O-N 3.14Å; V45-Q48 HydrophobicContact CB-CB 4.27Å; V45-Q48 HydrophobicContact CG1-CB 4.34Å; V45-Q48 WeakPolarHBondContact O-CB 3.49Å; V45-Q48 PolarHBondContact O-N 2.76Å; V45-Q48 VanDerWaalsContact O-N 3.16Å
46V74.5Confident77.4Confident75 Ų7542.5 Ų42.546%0.45524%0.241SC..THydrogen-bonded Turntrans-62.5-26.4-179-64.50000114.6F270V46-F270 HydrophobicContact CB-CD1 4.48Å; V46-F270 HydrophobicContact CB-CD2 4.23Å; V46-F270 HydrophobicContact CB-CE1 4.04Å; V46-F270 HydrophobicContact CB-CE2 3.75Å; V46-F270 HydrophobicContact CB-CZ 3.65Å; V46-F270 HydrophobicContact CG1-CE1 4.48Å; V46-F270 HydrophobicContact CG1-CE2 4.45Å; V46-F270 HydrophobicContact CG1-CZ 4Å; V46-F270 HydrophobicContact CG2-CD1 3.86Å; V46-F270 HydrophobicContact CG2-CD2 4.35Å; V46-F270 HydrophobicContact CG2-CE1 3.68Å; V46-F270 HydrophobicContact CG2-CE2 4.19Å; V46-F270 HydrophobicContact CG2-CG 4.2Å; V46-F270 HydrophobicContact CG2-CZ 3.86Å
47V82.6Confident77.6Confident19 Ų1943.2 Ų43.212%0.11524%0.244CC..THydrogen-bonded Turntrans-925.9179.3-66.30000114.2V45 Y50 N51 F270 Q273 F274V45-V47 HydrophobicContact CG1-CG2 3.75Å; V45-V47 PolarHBondContact O-N 3.14Å; V47-Y50 PolarHBondContact O-N 3.14Å; V47-Y50 VanDerWaalsContact O-N 3.08Å; V47-N51 PolarHBondContact O-N 2.88Å; V47-F270 HydrophobicContact CG1-CB 3.79Å; V47-F270 HydrophobicContact CG1-CG 4.32Å; V47-Q273 VanDerWaalsContact CG1-OE1 3.23Å; V47-F274 HydrophobicContact CB-CE2 4.05Å; V47-F274 HydrophobicContact CB-CZ 4.11Å; V47-F274 HydrophobicContact CG1-CE2 3.91Å; V47-F274 HydrophobicContact CG1-CZ 4.42Å
48Q84.3Confident78.2Confident11 Ų1144.1 Ų44.15%0.05125%0.246CC..Hα-helixtrans-48.8-46.7-175.9157.8172.4-46.100113.9A6 S37 N38 S43 V45 Y50 N51 S52A6-Q48 HydrophobicContact CB-CB 4.24Å; A6-Q48 HydrophobicContact CB-CG 3.57Å; S37-Q48 VanDerWaalsContact CB-CD 3.46Å; S37-Q48 VanDerWaalsContact CB-NE2 3.27Å; S37-Q48 PolarHBondContact OG-NE2 3.45Å; S37-Q48 PolarHBondContact OG-OE1 3Å; N38-Q48 PolarHBondContact O-NE2 3.37Å; S43-Q48 PolarHBondContact OG-OE1 3.26Å; V45-Q48 HydrophobicContact CB-CB 4.27Å; V45-Q48 HydrophobicContact CG1-CB 4.34Å; V45-Q48 WeakPolarHBondContact O-CB 3.49Å; V45-Q48 PolarHBondContact O-N 2.76Å; V45-Q48 VanDerWaalsContact O-N 3.16Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 3.3Å; Q48-N51 PolarHBondContact O-N 3.31Å; Q48-S52 WeakPolarHBondContact O-CB 3.37Å; Q48-S52 PolarHBondContact O-N 3.25Å; Q48-S52 PolarHBondContact O-OG 2.69Å
49P88.5Confident79.4Confident12 Ų1242.8 Ų42.88%0.07824%0.239CC..Hα-helixtrans-63.7-32.9-178.1-25.637000114L53 Q260 L264P49-L53 WeakPolarHBondContact O-CB 3.22Å; P49-L53 PolarHBondContact O-N 3.34Å; P49-Q260 HydrophobicContact CB-CB 3.95Å; P49-Q260 HydrophobicContact CG-CB 3.92Å; P49-L264 HydrophobicContact CB-CD1 3.95Å; P49-L264 HydrophobicContact CG-CD1 3.58Å; P49-L264 HydrophobicContact CG-CG 4.45Å
50Y88.5Confident81Confident0 Ų042.2 Ų42.20%024%0.239CC..Hα-helixtrans-67.4-48.4175.7-67.2-60.4000111.2V47 Q48 S52 L53 L54 F261 L264 R265 A269 L271 F274 L286V47-Y50 PolarHBondContact O-N 3.14Å; V47-Y50 VanDerWaalsContact O-N 3.08Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 3.3Å; Y50-S52 VanDerWaalsContact C-N 3.3Å; Y50-S52 PolarHBondContact O-N 3.42Å; Y50-L53 PolarHBondContact O-N 3.17Å; Y50-L54 WeakPolarHBondContact O-CG 3.32Å; Y50-L54 PolarHBondContact O-N 3.36Å; Y50-F261 AromaticContact CD1-CD2 3.5Å; Y50-F261 HydrophobicContact CD1-CD2 3.5Å; Y50-F261 VanDerWaalsContact CD1-CD2 3.5Å; Y50-F261 AromaticContact CD1-CE2 3.49Å; Y50-F261 HydrophobicContact CD1-CE2 3.49Å; Y50-F261 VanDerWaalsContact CD1-CE2 3.49Å; Y50-F261 AromaticContact CE1-CD2 3.58Å; Y50-F261 HydrophobicContact CE1-CD2 3.58Å; Y50-F261 AromaticContact CE1-CE2 3.46Å; Y50-F261 HydrophobicContact CE1-CE2 3.46Å; Y50-F261 VanDerWaalsContact CE1-CE2 3.46Å; Y50-L264 HydrophobicContact CD2-CD1 4.3Å; Y50-L264 HydrophobicContact CE2-CB 4.03Å; Y50-L264 HydrophobicContact CE2-CD1 3.96Å; Y50-L264 VanDerWaalsContact OH-C 3.31Å; Y50-L264 WeakPolarHBondContact OH-CB 3.4Å; Y50-R265 PolarHBondContact OH-N 3.14Å; Y50-A269 WeakPolarHBondContact CE2-O 3.46Å; Y50-A269 PolarHBondContact OH-O 2.83Å; Y50-L271 HydrophobicContact CE1-CD2 3.81Å; Y50-L271 HydrophobicContact CE2-CD2 4.37Å; Y50-L271 WeakPolarHBondContact OH-CD2 3.24Å; Y50-F274 VanDerWaalsContact CB-CZ 3.48Å; Y50-F274 HydrophobicContact CD2-CD2 4.35Å; Y50-F274 AromaticContact CD2-CE2 3.69Å; Y50-F274 HydrophobicContact CD2-CE2 3.69Å; Y50-F274 HydrophobicContact CD2-CZ 4.33Å; Y50-F274 HydrophobicContact CG-CD2 4.46Å; Y50-F274 AromaticContact CG-CE2 3.87Å; Y50-F274 HydrophobicContact CG-CE2 3.87Å; Y50-F274 HydrophobicContact CG-CZ 4.17Å; Y50-L286 HydrophobicContact CD1-CD1 4.03Å; Y50-L286 HydrophobicContact CD1-CD2 4.1Å; Y50-L286 HydrophobicContact CE1-CD1 4.22Å
51N88.3Confident82.7Confident18 Ų1840.1 Ų40.110%0.09623%0.23CC..Hα-helixtrans-60.3-42176.9-70.2-15.4000111.8I5 A6 V47 Q48 L54 T55I5-N51 CarbonylContact O-C 3.53Å; A6-N51 PolarHBondContact O-ND2 2.9Å; V47-N51 PolarHBondContact O-N 2.88Å; Q48-N51 PolarHBondContact O-N 3.31Å; N51-L54 PolarHBondContact O-N 3.45Å; N51-T55 WeakPolarHBondContact O-CB 3.44Å; N51-T55 PolarHBondContact O-N 2.91Å; N51-T55 PolarHBondContact O-OG1 3.48Å
52S90.7Very high84.4Confident5 Ų536.3 Ų36.34%0.03521%0.211CC..Hα-helixtrans-62.8-44.7178.6-65.20000111.9I5 Q48 Y50 T55 L56I5-S52 VanDerWaalsContact CG2-CA 3.42Å; I5-S52 WeakPolarHBondContact O-CA 3.31Å; I5-S52 PolarHBondContact O-N 3.42Å; Q48-S52 WeakPolarHBondContact O-CB 3.37Å; Q48-S52 PolarHBondContact O-N 3.25Å; Q48-S52 PolarHBondContact O-OG 2.69Å; Y50-S52 VanDerWaalsContact C-N 3.3Å; Y50-S52 PolarHBondContact O-N 3.42Å; S52-T55 PolarHBondContact O-N 3.03Å; S52-L56 WeakPolarHBondContact O-CB 3.24Å; S52-L56 VanDerWaalsContact O-CG 3.27Å; S52-L56 WeakPolarHBondContact O-CG 3.33Å; S52-L56 PolarHBondContact O-N 2.71Å
53L92.3Very high86.4Confident0 Ų031.9 Ų31.90%017%0.174CC..Hα-helixtrans-62.8-49.9178.4-174.771.9000111.8P49 Y50 T55 L56 K57 L258 F261 F290 V293P49-L53 WeakPolarHBondContact O-CB 3.22Å; P49-L53 PolarHBondContact O-N 3.34Å; Y50-L53 PolarHBondContact O-N 3.17Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 PolarHBondContact O-N 3.33Å; L53-L56 PolarHBondContact O-N 2.92Å; L53-K57 PolarHBondContact O-N 3.18Å; L53-K57 VanDerWaalsContact O-N 3.11Å; L53-L258 HydrophobicContact CD1-CD2 3.86Å; L53-F261 HydrophobicContact CB-CD2 4.45Å; L53-F261 HydrophobicContact CD2-CB 4.47Å; L53-F261 HydrophobicContact CD2-CD1 4Å; L53-F261 HydrophobicContact CD2-CD2 3.45Å; L53-F261 VanDerWaalsContact CD2-CD2 3.45Å; L53-F261 HydrophobicContact CD2-CE1 4.01Å; L53-F261 HydrophobicContact CD2-CE2 3.46Å; L53-F261 VanDerWaalsContact CD2-CE2 3.46Å; L53-F261 HydrophobicContact CD2-CG 3.71Å; L53-F261 HydrophobicContact CD2-CZ 3.75Å; L53-F290 HydrophobicContact CD2-CB 4.16Å; L53-V293 HydrophobicContact CD1-CB 3.97Å; L53-V293 HydrophobicContact CD1-CG1 4.31Å; L53-V293 HydrophobicContact CD1-CG2 3.91Å
54L91.6Very high88.1Confident17 Ų1733 Ų339%0.08918%0.176CC..Hα-helixtrans-57.8-44.4178.8-72.6169.3000111.3Y50 N51 K57 R58 F274 E285 L286Y50-L54 WeakPolarHBondContact O-CG 3.32Å; Y50-L54 PolarHBondContact O-N 3.36Å; N51-L54 PolarHBondContact O-N 3.45Å; L54-K57 PolarHBondContact O-N 3.33Å; L54-R58 WeakPolarHBondContact O-CD 3.31Å; L54-R58 PolarHBondContact O-N 2.89Å; L54-R58 PolarHBondContact O-NH1 3.08Å; L54-R58 VanDerWaalsContact O-NH1 3.09Å; L54-F274 HydrophobicContact CD1-CD1 4.4Å; L54-F274 HydrophobicContact CD1-CE1 4.07Å; L54-E285 HydrophobicContact CD2-CG 3.8Å; L54-L286 HydrophobicContact CD1-CD2 4.05Å; L54-L286 HydrophobicContact CD2-CD2 3.85Å; L54-L286 HydrophobicContact CG-CD2 3.84Å
55T92.4Very high89.7Confident2 Ų224.9 Ų24.91%0.01213%0.133CC..Hα-helixtrans-65.8-41.2178.4-54.20000111.7I5 S11 N51 S52 L53 K57 R58 L59I5-T55 HydrophobicContact CB-CG2 4.43Å; I5-T55 HydrophobicContact CG1-CG2 3.99Å; I5-T55 HydrophobicContact CG2-CG2 4.39Å; I5-T55 PolarHBondContact O-OG1 3.04Å; S11-T55 WeakPolarHBondContact CB-OG1 3.33Å; N51-T55 WeakPolarHBondContact O-CB 3.44Å; N51-T55 PolarHBondContact O-N 2.91Å; N51-T55 PolarHBondContact O-OG1 3.48Å; S52-T55 PolarHBondContact O-N 3.03Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 PolarHBondContact O-N 3.33Å; T55-K57 VanDerWaalsContact C-N 3.33Å; T55-K57 PolarHBondContact O-N 2.94Å; T55-R58 PolarHBondContact O-N 3.29Å; T55-L59 HydrophobicContact CG2-CD1 4.01Å; T55-L59 HydrophobicContact CG2-CG 4.18Å; T55-L59 WeakPolarHBondContact O-CB 2.98Å; T55-L59 WeakPolarHBondContact O-CG 3.33Å; T55-L59 PolarHBondContact O-N 3.25Å
56L94.3Very high90.9Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-62-38.3178.5-78.9174.2000112.1F36 S52 L53 R58 L59 A60 F132 F254 T257 V293F36-L56 HydrophobicContact CE1-CD2 4.02Å; F36-L56 HydrophobicContact CZ-CD2 3.84Å; S52-L56 WeakPolarHBondContact O-CB 3.24Å; S52-L56 VanDerWaalsContact O-CG 3.27Å; S52-L56 WeakPolarHBondContact O-CG 3.33Å; S52-L56 PolarHBondContact O-N 2.71Å; L53-L56 PolarHBondContact O-N 2.92Å; L56-R58 PolarHBondContact O-N 3Å; L56-L59 PolarHBondContact O-N 3.47Å; L56-A60 VanDerWaalsContact O-CB 3.24Å; L56-A60 WeakPolarHBondContact O-CB 3.35Å; L56-A60 PolarHBondContact O-N 3.17Å; L56-F132 HydrophobicContact CD2-CE1 4.06Å; L56-F132 HydrophobicContact CD2-CZ 4.42Å; L56-F254 HydrophobicContact CD1-CD1 4.24Å; L56-F254 HydrophobicContact CD2-CD1 4.15Å; L56-F254 HydrophobicContact CD2-CE1 4.01Å; L56-T257 HydrophobicContact CD1-CG2 3.81Å; L56-V293 HydrophobicContact CB-CG2 3.52Å; L56-V293 HydrophobicContact CD1-CG1 4.04Å; L56-V293 HydrophobicContact CD1-CG2 4.45Å
57K94.5Very high92Very high19 Ų1918.6 Ų18.68%0.08310%0.095CC..Hα-helixtrans-55.6-50.5172.2176-178176.1179.70111.1L53 L54 T55 A60 Q61 E285 D288 S289 V292L53-K57 PolarHBondContact O-N 3.18Å; L53-K57 VanDerWaalsContact O-N 3.11Å; L54-K57 PolarHBondContact O-N 3.33Å; T55-K57 VanDerWaalsContact C-N 3.33Å; T55-K57 PolarHBondContact O-N 2.94Å; K57-A60 PolarHBondContact O-N 3.04Å; K57-Q61 WeakPolarHBondContact O-CG 3.32Å; K57-Q61 PolarHBondContact O-N 3.19Å; K57-E285 WeakPolarHBondContact CD-OE1 3.4Å; K57-E285 WeakPolarHBondContact CE-OE1 3.27Å; K57-E285 IonicContact NZ-OE1 3.74Å; K57-E285 PolarHBondContact NZ-OE1 2.54Å; K57-E285 IonicContact NZ-OE2 2.99Å; K57-E285 PolarHBondContact NZ-OE2 3.25Å; K57-D288 IonicContact NZ-OD2 2.72Å; K57-S289 WeakPolarHBondContact CD-OG 3.47Å; K57-V292 HydrophobicContact CB-CG1 4.46Å; K57-V292 HydrophobicContact CG-CB 4.24Å; K57-V292 HydrophobicContact CG-CG1 4.18Å; K57-V292 HydrophobicContact CG-CG2 4.27Å
58R93.5Very high92.6Very high33 Ų3317.7 Ų17.713%0.1259%0.089CC..Hα-helixtrans-65.9-41.9-179.8-76.484.7178.5147.38112L18 E19 L54 T55 L56 A60 Q61 K62 E285L18-R58 HydrophobicContact CD2-CB 4.28Å; E19-R58 HydrophobicContact CG-CG 4.3Å; E19-R58 WeakPolarHBondContact OE1-CG 3.49Å; E19-R58 IonicContact OE1-NE 3.09Å; E19-R58 PolarHBondContact OE1-NE 3.43Å; E19-R58 VanDerWaalsContact OE1-NE 3.09Å; L54-R58 WeakPolarHBondContact O-CD 3.31Å; L54-R58 PolarHBondContact O-N 2.89Å; L54-R58 PolarHBondContact O-NH1 3.08Å; L54-R58 VanDerWaalsContact O-NH1 3.09Å; T55-R58 PolarHBondContact O-N 3.29Å; L56-R58 PolarHBondContact O-N 3Å; R58-A60 VanDerWaalsContact C-N 3.3Å; R58-A60 PolarHBondContact O-N 3.45Å; R58-Q61 PolarHBondContact O-N 3.14Å; R58-K62 WeakPolarHBondContact O-CA 3.23Å; R58-K62 VanDerWaalsContact O-CB 3.3Å; R58-K62 WeakPolarHBondContact O-CB 3.46Å; R58-K62 PolarHBondContact O-N 3.26Å; R58-E285 IonicContact CZ-OE1 2.6Å; R58-E285 IonicContact NH1-OE1 3.06Å; R58-E285 PolarHBondContact NH1-OE1 3.05Å; R58-E285 IonicContact NH2-OE1 2.65Å; R58-E285 PolarHBondContact NH2-OE1 3.48Å
59L94.8Very high93.1Very high1 Ų117.2 Ų17.21%0.0059%0.087CC..Hα-helixtrans-60.7-41175.1-74.2178.1000111.8I5 L18 N32 T55 L56 S63 V66 H131 F132I5-L59 HydrophobicContact CD1-CD1 4.06Å; I5-L59 HydrophobicContact CG1-CD1 4.12Å; L18-L59 HydrophobicContact CD2-CD2 4.08Å; N32-L59 HydrophobicContact CB-CD2 4.02Å; T55-L59 HydrophobicContact CG2-CD1 4.01Å; T55-L59 HydrophobicContact CG2-CG 4.18Å; T55-L59 WeakPolarHBondContact O-CB 2.98Å; T55-L59 WeakPolarHBondContact O-CG 3.33Å; T55-L59 PolarHBondContact O-N 3.25Å; L56-L59 PolarHBondContact O-N 3.47Å; L59-S63 WeakPolarHBondContact O-CB 3.49Å; L59-S63 PolarHBondContact O-N 2.97Å; L59-V66 HydrophobicContact CB-CG2 4.14Å; L59-V66 HydrophobicContact CD1-CG1 4.29Å; L59-V66 HydrophobicContact CD2-CG2 3.98Å; L59-V66 HydrophobicContact CG-CG2 4.49Å; L59-H131 PolarHBondContact O-NE2 3.23Å; L59-F132 HydrophobicContact CB-CE1 4.32Å; L59-F132 HydrophobicContact CB-CZ 4.04Å
60A94.8Very high93.2Very high19 Ų1916.8 Ų16.816%0.1578%0.084CC..Hα-helixtrans-66.3-37.4178.600000112.5L56 K57 R58 H131 V292 L296L56-A60 VanDerWaalsContact O-CB 3.24Å; L56-A60 WeakPolarHBondContact O-CB 3.35Å; L56-A60 PolarHBondContact O-N 3.17Å; K57-A60 PolarHBondContact O-N 3.04Å; R58-A60 VanDerWaalsContact C-N 3.3Å; R58-A60 PolarHBondContact O-N 3.45Å; A60-H131 PolarHBondContact O-CE1 2.86Å; A60-H131 VanDerWaalsContact O-CE1 3.26Å; A60-V292 HydrophobicContact CB-CG1 4.11Å; A60-L296 HydrophobicContact CB-CD2 4.13Å
61Q93.4Very high93.3Very high100 Ų10019 Ų1947%0.46710%0.096SC..Hα-helixtrans-95.1-32.5-172.6-65.2177.4-3300114K57 R58 V292K57-Q61 WeakPolarHBondContact O-CG 3.32Å; K57-Q61 PolarHBondContact O-N 3.19Å; R58-Q61 PolarHBondContact O-N 3.14Å; Q61-V292 HydrophobicContact CG-CG1 4.23Å
62K92.3Very high93.4Very high59 Ų5919.4 Ų19.426%0.25710%0.099SC..Hα-helixtrans-116.3-3.8-166.5-45.1-44.8-136.9145.30114.1L18 E19 E22 R58L18-K62 HydrophobicContact CD1-CB 4.46Å; L18-K62 HydrophobicContact CD2-CB 4.01Å; L18-K62 HydrophobicContact CG-CB 3.83Å; E19-K62 HydrophobicContact CG-CG 4.47Å; E22-K62 IonicContact OE1-NZ 3.98Å; E22-K62 PolarHBondContact OE1-NZ 2.79Å; E22-K62 WeakPolarHBondContact OE2-CD 3.21Å; E22-K62 WeakPolarHBondContact OE2-CE 3.4Å; E22-K62 WeakPolarHBondContact OE2-CG 3.31Å; E22-K62 IonicContact OE2-NZ 3.58Å; E22-K62 PolarHBondContact OE2-NZ 2.77Å; R58-K62 WeakPolarHBondContact O-CA 3.23Å; R58-K62 VanDerWaalsContact O-CB 3.3Å; R58-K62 WeakPolarHBondContact O-CB 3.46Å; R58-K62 PolarHBondContact O-N 3.26Å
63S93.1Very high93.5Very high8 Ų819.2 Ų19.26%0.05610%0.097CC..  trans-104144.2176.4-1690000111.7V30 N32 L59 C65 H131V30-S63 PolarHBondContact O-OG 3.22Å; N32-S63 VanDerWaalsContact ND2-CB 3.31Å; N32-S63 WeakPolarHBondContact ND2-CB 3.45Å; N32-S63 PolarHBondContact ND2-OG 3Å; L59-S63 WeakPolarHBondContact O-CB 3.49Å; L59-S63 PolarHBondContact O-N 2.97Å; S63-C65 PolarHBondContact OG-N 3.49Å; S63-C65 PolarHBondContact OG-O 3.08Å; S63-H131 PolarHBondContact O-CD2 3.4Å; S63-H131 VanDerWaalsContact O-CD2 3.25Å; S63-H131 PolarHBondContact O-NE2 3.19Å
64N94Very high93.5Very high67 Ų6719.2 Ų19.236%0.35810%0.097SC..SBendtrans-88.3-21171.3-54.6106.2000112.9L29 V30 L121 I125 H131L29-N64 WeakPolarHBondContact CA-OD1 3.44Å; L29-N64 HydrophobicContact CD2-CB 4.04Å; V30-N64 PolarHBondContact N-OD1 3.1Å; V30-N64 PolarHBondContact O-N 2.96Å; V30-N64 VanDerWaalsContact O-N 3.07Å; N64-L121 HydrophobicContact CB-CD1 4.42Å; N64-I125 VanDerWaalsContact O-CD1 3.31Å; N64-I125 WeakPolarHBondContact O-CD1 3.48Å; N64-H131 WeakPolarHBondContact O-CB 3.31Å
65C94.8Very high93.5Very high0 Ų020.4 Ų20.40%011%0.108CC..EExtended strand (participates in β ladder)trans-160.5127.9-178.6174.50000109.8V30 Q31 N32 S63 L121 I125 L133V30-C65 PolarHBondContact O-N 3.3Å; Q31-C65 CarbonylContact C-O 3.47Å; Q31-C65 WeakPolarHBondContact CA-O 3.34Å; Q31-C65 HydrophobicContact CB-CB 4.38Å; Q31-C65 HydrophobicContact CG-CB 4.23Å; N32-C65 PolarHBondContact N-O 3.2Å; S63-C65 PolarHBondContact OG-N 3.49Å; S63-C65 PolarHBondContact OG-O 3.08Å; C65-L121 HydrophobicContact CB-CD1 3.95Å; C65-L121 HydrophobicContact CB-CD2 3.5Å; C65-L121 HydrophobicContact CB-CG 4.39Å; C65-L121 VanDerWaalsContact SG-CD2 3.53Å; C65-I125 HydrophobicContact CB-CD1 4.04Å; C65-L133 VanDerWaalsContact SG-CD1 3.56Å
66V96.3Very high93.4Very high0 Ų023.6 Ų23.60%012%0.119CC..EExtended strand (participates in β ladder)trans-117.6112.8175.1-176.10000108.7N32 S34 L59 V68 H131 F132 L133N32-V66 HydrophobicContact CB-CG2 4.49Å; N32-V66 CarbonylContact O-C 3.53Å; N32-V66 WeakPolarHBondContact O-CA 3.22Å; S34-V66 WeakPolarHBondContact OG-CG1 3.42Å; L59-V66 HydrophobicContact CB-CG2 4.14Å; L59-V66 HydrophobicContact CD1-CG1 4.29Å; L59-V66 HydrophobicContact CD2-CG2 3.98Å; L59-V66 HydrophobicContact CG-CG2 4.49Å; V66-V68 HydrophobicContact CG1-CG2 4.2Å; V66-V68 PolarHBondContact O-N 2.85Å; V66-H131 PolarHBondContact N-O 2.93Å; V66-F132 HydrophobicContact CB-CD1 3.69Å; V66-F132 HydrophobicContact CB-CE1 3.9Å; V66-F132 HydrophobicContact CB-CG 4.18Å; V66-F132 HydrophobicContact CG1-CD1 3.75Å; V66-F132 HydrophobicContact CG1-CE1 3.84Å; V66-F132 HydrophobicContact CG2-CD1 4.21Å; V66-F132 HydrophobicContact CG2-CE1 3.96Å; V66-F132 HydrophobicContact CG2-CZ 4.19Å; V66-F132 CarbonylContact O-C 3.48Å; V66-F132 WeakPolarHBondContact O-CA 3.48Å; V66-L133 PolarHBondContact O-N 2.88Å
67I96.6Very high93.3Very high1 Ų123.6 Ų23.61%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-84.7113170.2-63.6171.4000107.4Q31 N32 Y33 S34 M69 L133 T135 L244Q31-I67 HydrophobicContact CG-CD1 4.23Å; N32-I67 PolarHBondContact O-N 3.21Å; Y33-I67 HydrophobicContact CD1-CB 3.88Å; Y33-I67 HydrophobicContact CD1-CD1 3.97Å; Y33-I67 HydrophobicContact CD1-CG1 4.49Å; Y33-I67 HydrophobicContact CD1-CG2 4.04Å; Y33-I67 HydrophobicContact CE1-CB 4.16Å; Y33-I67 HydrophobicContact CE1-CD1 3.32Å; Y33-I67 HydrophobicContact CE1-CG1 4.29Å; Y33-I67 HydrophobicContact CE1-CG2 4.29Å; S34-I67 PolarHBondContact N-O 3Å; I67-M69 HydrophobicContact CG2-CE 3.95Å; I67-L133 WeakPolarHBondContact CA-O 3.35Å; I67-T135 HydrophobicContact CG2-CG2 3.72Å; I67-L244 HydrophobicContact CD1-CD2 3.87Å; I67-L244 HydrophobicContact CG1-CD2 4.15Å; I67-L244 HydrophobicContact CG2-CD2 4.43Å
68V95.6Very high93.2Very high0 Ų022.7 Ų22.70%012%0.116CC..EExtended strand (participates in β ladder)trans-88.7128.8-175.9178.30000109.8F36 V66 F132 L133 V169 V250 L253F36-V68 HydrophobicContact CD2-CG1 3.62Å; F36-V68 HydrophobicContact CE2-CB 4.17Å; F36-V68 HydrophobicContact CE2-CG1 3.51Å; F36-V68 HydrophobicContact CE2-CG2 3.9Å; F36-V68 HydrophobicContact CG-CG1 4.45Å; F36-V68 HydrophobicContact CZ-CG1 4.25Å; F36-V68 HydrophobicContact CZ-CG2 4.41Å; V66-V68 HydrophobicContact CG1-CG2 4.2Å; V66-V68 PolarHBondContact O-N 2.85Å; V68-F132 HydrophobicContact CG2-CB 4.08Å; V68-F132 HydrophobicContact CG2-CD1 3.84Å; V68-F132 HydrophobicContact CG2-CG 4.47Å; V68-L133 PolarHBondContact N-O 2.67Å; V68-V169 HydrophobicContact CB-CG2 4.38Å; V68-V169 HydrophobicContact CG1-CG1 4.3Å; V68-V169 HydrophobicContact CG1-CG2 3.97Å; V68-V169 VanDerWaalsContact O-CG2 3.27Å; V68-V169 WeakPolarHBondContact O-CG2 3.46Å; V68-V250 HydrophobicContact CG2-CG2 4.19Å; V68-L253 HydrophobicContact CG1-CD1 3.55Å
69M94.7Very high93Very high1 Ų125.6 Ų25.61%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-135.7155.5168.9-59.2174.1-169.600108.5Y33 S34 I35 F36 I67 L74 V96 A99 T135 M168Y33-M69 HydrophobicContact CD1-CE 4.06Å; S34-M69 PolarHBondContact O-N 2.9Å; S34-M69 VanDerWaalsContact O-N 3.15Å; I35-M69 CarbonylContact C-O 3.6Å; I35-M69 WeakPolarHBondContact CA-O 3.43Å; F36-M69 PolarHBondContact N-O 2.83Å; I67-M69 HydrophobicContact CG2-CE 3.95Å; M69-L74 HydrophobicContact CB-CD1 4.45Å; M69-V96 HydrophobicContact SD-CB 4.29Å; M69-V96 HydrophobicContact SD-CG1 3.86Å; M69-V96 HydrophobicContact SD-CG2 4.02Å; M69-A99 HydrophobicContact CE-CB 3.68Å; M69-T135 HydrophobicContact CE-CG2 3.67Å; M69-T135 HydrophobicContact CG-CG2 3.77Å; M69-T135 HydrophobicContact SD-CG2 4.46Å; M69-M168 CarbonylContact C-O 3.48Å; M69-M168 VanDerWaalsContact CA-O 3.27Å; M69-M168 WeakPolarHBondContact CA-O 3.35Å; M69-M168 HydrophobicContact CB-CB 4.37Å; M69-M168 HydrophobicContact CE-SD 4.32Å; M69-M168 HydrophobicContact CG-CB 4.14Å; M69-M168 HydrophobicContact CG-SD 4.37Å; M69-M168 HydrophobicContact SD-SD 4.16Å
70D91.6Very high92.8Very high3 Ų330.2 Ų30.22%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-134.1152.8172.570.115.3000113.7F36 T72 A73 L74 M168 S170F36-D70 HydrophobicContact CB-CB 3.9Å; F36-D70 WeakPolarHBondContact O-CA 3.3Å; D70-T72 VanDerWaalsContact C-N 3.26Å; D70-T72 PolarHBondContact O-N 3.02Å; D70-A73 WeakPolarHBondContact OD1-CA 3.45Å; D70-A73 WeakPolarHBondContact OD1-CB 3.33Å; D70-A73 PolarHBondContact OD1-N 3.29Å; D70-L74 WeakPolarHBondContact O-CB 3.41Å; D70-L74 WeakPolarHBondContact O-CD1 3.39Å; D70-L74 WeakPolarHBondContact O-CG 3.5Å; D70-L74 PolarHBondContact O-N 2.87Å; D70-L74 VanDerWaalsContact O-N 3.08Å; D70-M168 PolarHBondContact N-O 3.46Å; D70-S170 PolarHBondContact OD1-N 3.47Å; D70-S170 WeakPolarHBondContact OD2-CA 3.33Å; D70-S170 WeakPolarHBondContact OD2-CB 3.3Å; D70-S170 PolarHBondContact OD2-N 2.9Å; D70-S170 PolarHBondContact OD2-OG 2.79Å
71N90Very high92.4Very high45 Ų4533.5 Ų33.524%0.24116%0.163CC..Hα-helixtrans-65.7-31.7-178.8-75.3-25.4000112I35 F36 L74 S75I35-N71 VanDerWaalsContact CG2-OD1 3.31Å; I35-N71 WeakPolarHBondContact CG2-OD1 3.4Å; F36-N71 PolarHBondContact O-N 3.14Å; F36-N71 VanDerWaalsContact O-N 3.12Å; N71-L74 PolarHBondContact O-N 3.48Å; N71-S75 VanDerWaalsContact O-CB 3.28Å; N71-S75 WeakPolarHBondContact O-CB 3.18Å; N71-S75 PolarHBondContact O-N 2.75Å; N71-S75 PolarHBondContact O-OG 2.81Å
72T90Very high92.1Very high28 Ų2829.7 Ų29.717%0.17215%0.146CC..Hα-helixtrans-64.6-48.8-179.8-49.10000111.7N38 D70 R76N38-T72 WeakPolarHBondContact CA-OG1 3.3Å; N38-T72 PolarHBondContact OD1-OG1 3.37Å; D70-T72 VanDerWaalsContact C-N 3.26Å; D70-T72 PolarHBondContact O-N 3.02Å; T72-R76 WeakPolarHBondContact O-CB 3.4Å; T72-R76 PolarHBondContact O-N 2.8Å
73A92.4Very high91.8Very high0 Ų037 Ų370%017%0.172CC..Hα-helixtrans-70.4-36.4176.600000111.9D70 R76 I77 M168D70-A73 WeakPolarHBondContact OD1-CA 3.45Å; D70-A73 WeakPolarHBondContact OD1-CB 3.33Å; D70-A73 PolarHBondContact OD1-N 3.29Å; A73-R76 PolarHBondContact O-N 3.48Å; A73-I77 WeakPolarHBondContact O-CB 3.24Å; A73-I77 WeakPolarHBondContact O-CD1 3.48Å; A73-I77 WeakPolarHBondContact O-CG1 3.38Å; A73-I77 PolarHBondContact O-N 3.48Å; A73-M168 VanDerWaalsContact CB-C 3.44Å
74L92.9Very high91.5Very high0 Ų038 Ų380%018%0.176CC..Hα-helixtrans-62.8-44.4176.1-70.1167.8000111.6M69 D70 N71 I77 A78 I92 L95 V96 M168M69-L74 HydrophobicContact CB-CD1 4.45Å; D70-L74 WeakPolarHBondContact O-CB 3.41Å; D70-L74 WeakPolarHBondContact O-CD1 3.39Å; D70-L74 WeakPolarHBondContact O-CG 3.5Å; D70-L74 PolarHBondContact O-N 2.87Å; D70-L74 VanDerWaalsContact O-N 3.08Å; N71-L74 PolarHBondContact O-N 3.48Å; L74-I77 PolarHBondContact O-N 3.21Å; L74-A78 PolarHBondContact O-N 2.89Å; L74-I92 HydrophobicContact CB-CG2 3.99Å; L74-I92 HydrophobicContact CD1-CG2 3.87Å; L74-I92 HydrophobicContact CG-CG2 4.49Å; L74-L95 HydrophobicContact CD2-CB 4.11Å; L74-L95 HydrophobicContact CD2-CD1 4.43Å; L74-V96 HydrophobicContact CD1-CG2 3.58Å; L74-V96 HydrophobicContact CD2-CG2 4.17Å; L74-M168 HydrophobicContact CD2-CB 4.27Å; L74-M168 HydrophobicContact CD2-CG 4.14Å; L74-M168 HydrophobicContact CD2-SD 4.07Å
75S91.2Very high91.2Very high43 Ų4338.8 Ų38.830%0.30119%0.192SC..Hα-helixtrans-62-44.2174-69.30000111.6N71 I77 A78 L79N71-S75 VanDerWaalsContact O-CB 3.28Å; N71-S75 WeakPolarHBondContact O-CB 3.18Å; N71-S75 PolarHBondContact O-N 2.75Å; N71-S75 PolarHBondContact O-OG 2.81Å; S75-I77 PolarHBondContact O-N 2.86Å; S75-A78 PolarHBondContact O-N 2.68Å; S75-L79 WeakPolarHBondContact O-CB 3.38Å; S75-L79 PolarHBondContact O-N 3.24Å
76R91.1Very high90.8Very high68 Ų6847 Ų4726%0.25723%0.232SC..Hα-helixtrans-59.1-45.2174.1-179.6-176.562.9-143.1-1.1112.1T72 A73 L79 E80T72-R76 WeakPolarHBondContact O-CB 3.4Å; T72-R76 PolarHBondContact O-N 2.8Å; A73-R76 PolarHBondContact O-N 3.48Å; R76-L79 PolarHBondContact O-N 2.64Å; R76-E80 HydrophobicContact CG-CG 4.17Å; R76-E80 VanDerWaalsContact CG-OE1 3.24Å; R76-E80 WeakPolarHBondContact CG-OE1 3.48Å; R76-E80 WeakPolarHBondContact O-CB 3.34Å; R76-E80 WeakPolarHBondContact O-CG 3.23Å; R76-E80 PolarHBondContact O-N 3.46Å
77I92.1Very high90.3Very high1 Ų148.4 Ų48.41%0.00524%0.241CC..Hα-helixtrans-62.4-44.8178.1-72.9162.1000110.3A73 L74 S75 L79 R81 L82 L95 Y140 M168A73-I77 WeakPolarHBondContact O-CB 3.24Å; A73-I77 WeakPolarHBondContact O-CD1 3.48Å; A73-I77 WeakPolarHBondContact O-CG1 3.38Å; A73-I77 PolarHBondContact O-N 3.48Å; L74-I77 PolarHBondContact O-N 3.21Å; S75-I77 PolarHBondContact O-N 2.86Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 2.82Å; I77-R81 HydrophobicContact CG2-CB 4.4Å; I77-R81 HydrophobicContact CG2-CG 4.4Å; I77-R81 WeakPolarHBondContact O-CA 3.25Å; I77-R81 VanDerWaalsContact O-CB 3.24Å; I77-R81 WeakPolarHBondContact O-CB 3.44Å; I77-R81 PolarHBondContact O-N 3.25Å; I77-L82 PolarHBondContact O-N 3.47Å; I77-L95 HydrophobicContact CG2-CD1 4.06Å; I77-L95 HydrophobicContact CG2-CD2 4.45Å; I77-Y140 HydrophobicContact CD1-CE2 4.29Å; I77-Y140 HydrophobicContact CG1-CE2 4.36Å; I77-Y140 HydrophobicContact CG2-CD1 3.85Å; I77-Y140 HydrophobicContact CG2-CD2 3.71Å; I77-Y140 HydrophobicContact CG2-CE1 3.84Å; I77-Y140 HydrophobicContact CG2-CE2 3.69Å; I77-Y140 HydrophobicContact CG2-CG 3.79Å; I77-M168 HydrophobicContact CD1-CG 4.03Å
78A91.1Very high90Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-62.6-40.4177.600000111.9L74 S75 L82 R83 I84 P87 L95L74-A78 PolarHBondContact O-N 2.89Å; S75-A78 PolarHBondContact O-N 2.68Å; A78-L82 CarbonylContact O-C 3.56Å; A78-L82 WeakPolarHBondContact O-CA 3.28Å; A78-L82 VanDerWaalsContact O-CB 3.32Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 PolarHBondContact O-N 3.32Å; A78-R83 PolarHBondContact O-N 3.34Å; A78-R83 VanDerWaalsContact O-N 3.14Å; A78-I84 PolarHBondContact O-N 2.85Å; A78-P87 HydrophobicContact CB-CB 3.57Å; A78-P87 HydrophobicContact CB-CG 4Å; A78-L95 HydrophobicContact CB-CD1 4.24Å
79L90.5Very high89.6Confident93 Ų9358.6 Ų58.649%0.48729%0.292SS..Hα-helixtrans-66.8-55.5176.3-178.464000112.3S75 R76 I77 R83 I84S75-L79 WeakPolarHBondContact O-CB 3.38Å; S75-L79 PolarHBondContact O-N 3.24Å; R76-L79 PolarHBondContact O-N 2.64Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 2.82Å; L79-R83 VanDerWaalsContact O-CA 3.22Å; L79-R83 WeakPolarHBondContact O-CA 3.42Å; L79-R83 PolarHBondContact O-N 2.99Å; L79-I84 WeakPolarHBondContact CA-O 3.46Å
80E89.7Confident89.4Confident99 Ų9962.9 Ų62.946%0.46332%0.322SS..Hα-helixtrans-80.1-36.2-170.6-68.1-177.7-16700113.9R76R76-E80 HydrophobicContact CG-CG 4.17Å; R76-E80 VanDerWaalsContact CG-OE1 3.24Å; R76-E80 WeakPolarHBondContact CG-OE1 3.48Å; R76-E80 WeakPolarHBondContact O-CB 3.34Å; R76-E80 WeakPolarHBondContact O-CG 3.23Å; R76-E80 PolarHBondContact O-N 3.46Å
81R87Confident89.3Confident88 Ų8866.1 Ų66.133%0.33234%0.338SS..THydrogen-bonded Turntrans-98.7-43.2-173.8-58.5-67.9-178.1-106-4.7111.8I77 Y140 Q145 N166I77-R81 HydrophobicContact CG2-CB 4.4Å; I77-R81 HydrophobicContact CG2-CG 4.4Å; I77-R81 WeakPolarHBondContact O-CA 3.25Å; I77-R81 VanDerWaalsContact O-CB 3.24Å; I77-R81 WeakPolarHBondContact O-CB 3.44Å; I77-R81 PolarHBondContact O-N 3.25Å; R81-Y140 HydrophobicContact CB-CD2 4.22Å; R81-Y140 HydrophobicContact CB-CG 4.49Å; R81-Y140 HydrophobicContact CG-CD2 4.06Å; R81-Q145 PolarHBondContact O-NE2 3.07Å; R81-N166 PolarHBondContact NE-OD1 3.04Å
82L86.7Confident89.3Confident20 Ų2064.3 Ų64.311%0.10533%0.328CS..THydrogen-bonded Turntrans-89.5-9179.4-54.8-177.8000113.1I77 A78 I84 L95 T142I77-L82 PolarHBondContact O-N 3.47Å; A78-L82 CarbonylContact O-C 3.56Å; A78-L82 WeakPolarHBondContact O-CA 3.28Å; A78-L82 VanDerWaalsContact O-CB 3.32Å; A78-L82 WeakPolarHBondContact O-CB 3.46Å; A78-L82 PolarHBondContact O-N 3.32Å; L82-I84 VanDerWaalsContact C-N 3.26Å; L82-I84 HydrophobicContact CB-CD1 3.61Å; L82-I84 HydrophobicContact CB-CG1 3.86Å; L82-I84 HydrophobicContact CD1-CD1 3.9Å; L82-I84 HydrophobicContact CG-CD1 4.45Å; L82-I84 PolarHBondContact O-N 2.82Å; L82-L95 HydrophobicContact CD1-CD1 4.4Å; L82-L95 HydrophobicContact CD1-CD2 3.91Å; L82-L95 HydrophobicContact CD1-CG 4.34Å; L82-T142 HydrophobicContact CB-CG2 3.92Å; L82-T142 HydrophobicContact CD1-CG2 4.4Å; L82-T142 HydrophobicContact CD2-CG2 3.77Å; L82-T142 HydrophobicContact CG-CG2 4.25Å
83R86.8Confident89.4Confident213 Ų21366.9 Ų66.980%0.80434%0.341SS*.  trans6034-177.9-56.3-178.5178.8179.2-1.9113A78 L79A78-R83 PolarHBondContact O-N 3.34Å; A78-R83 VanDerWaalsContact O-N 3.14Å; L79-R83 VanDerWaalsContact O-CA 3.22Å; L79-R83 WeakPolarHBondContact O-CA 3.42Å; L79-R83 PolarHBondContact O-N 2.99Å
84I86.6Confident89.3Confident29 Ų2969.4 Ų69.415%0.14936%0.361CS..  trans-98.2107.4179-56.7166.5000108.1A78 L79 L82 M86 P87 Q91A78-I84 PolarHBondContact O-N 2.85Å; L79-I84 WeakPolarHBondContact CA-O 3.46Å; L82-I84 VanDerWaalsContact C-N 3.26Å; L82-I84 HydrophobicContact CB-CD1 3.61Å; L82-I84 HydrophobicContact CB-CG1 3.86Å; L82-I84 HydrophobicContact CD1-CD1 3.9Å; L82-I84 HydrophobicContact CG-CD1 4.45Å; L82-I84 PolarHBondContact O-N 2.82Å; I84-M86 PolarHBondContact O-N 3.12Å; I84-P87 HydrophobicContact CG2-CB 4.22Å; I84-Q91 HydrophobicContact CD1-CB 4.47Å; I84-Q91 HydrophobicContact CD1-CG 4.35Å
85A87Confident89.2Confident83 Ų8370 Ų7069%0.68636%0.364SS*.SBendtrans-62-41.5-174.800000113.6
86M86.4Confident89.3Confident171 Ų17168.2 Ų68.284%0.84235%0.352SS*.SBendtrans-127.192.3174.8-65.5-170.7-56.800108.6I84 S88I84-M86 PolarHBondContact O-N 3.12Å; M86-S88 PolarHBondContact O-N 2.73Å
87P86.7Confident89.4Confident30 Ų3068.3 Ų68.320%0.19536%0.363CS..  trans-68.8124.5-179.228.1-33.6000110.7A78 I84 I92A78-P87 HydrophobicContact CB-CB 3.57Å; A78-P87 HydrophobicContact CB-CG 4Å; I84-P87 HydrophobicContact CG2-CB 4.22Å; P87-I92 HydrophobicContact CB-CD1 4.39Å; P87-I92 HydrophobicContact CB-CG1 4.11Å; P87-I92 HydrophobicContact CG-CD1 4.4Å
88S89.1Confident89.3Confident53 Ų5371 Ų7137%0.37138%0.379SS..  trans-70.5157.717163.90000111.1M86 S90 Q91 I92M86-S88 PolarHBondContact O-N 2.73Å; S88-S90 PolarHBondContact O-N 2.75Å; S88-S90 VanDerWaalsContact O-N 3.17Å; S88-Q91 PolarHBondContact O-N 2.95Å; S88-Q91 WeakPolarHBondContact OG-CG 3.22Å; S88-Q91 PolarHBondContact OG-N 3.45Å; S88-Q91 PolarHBondContact OG-OE1 3.33Å; S88-I92 PolarHBondContact O-N 2.99Å
89F88Confident89.3Confident162 Ų16271 Ų7171%0.71138%0.38SS*.Hα-helixtrans-55.1-33.7172.3-68.9-62000112.7Q91 I92 N93F89-Q91 PolarHBondContact O-N 3.17Å; F89-I92 PolarHBondContact O-N 3.45Å; F89-N93 WeakPolarHBondContact O-CB 3.48Å; F89-N93 PolarHBondContact O-N 3.15Å; F89-N93 PolarHBondContact O-ND2 3.08Å
90S90.4Very high89.4Confident91 Ų9168.9 Ų68.964%0.63637%0.368SS*.Hα-helixtrans-61.2-43.6175.3-178.70000112S88 N93 A94S88-S90 PolarHBondContact O-N 2.75Å; S88-S90 VanDerWaalsContact O-N 3.17Å; S90-N93 PolarHBondContact O-N 2.93Å; S90-A94 WeakPolarHBondContact O-CB 3.14Å; S90-A94 PolarHBondContact O-N 3.12Å
91Q89.8Confident89.5Confident72 Ų7266.8 Ų66.834%0.33636%0.364SS..Hα-helixtrans-70.2-40.4179-70.8162.3-41.400112.1I84 S88 F89 A94 L95I84-Q91 HydrophobicContact CD1-CB 4.47Å; I84-Q91 HydrophobicContact CD1-CG 4.35Å; S88-Q91 PolarHBondContact O-N 2.95Å; S88-Q91 WeakPolarHBondContact OG-CG 3.22Å; S88-Q91 PolarHBondContact OG-N 3.45Å; S88-Q91 PolarHBondContact OG-OE1 3.33Å; F89-Q91 PolarHBondContact O-N 3.17Å; Q91-A94 WeakPolarHBondContact O-CB 3.26Å; Q91-A94 PolarHBondContact O-N 3.25Å; Q91-L95 PolarHBondContact O-N 3.07Å
92I90.7Very high89.6Confident7 Ų762.7 Ų62.74%0.03635%0.349CS..Hα-helixtrans-61.6-46.8173.8-67175.4000110.2L74 P87 S88 F89 A94 L95 V96L74-I92 HydrophobicContact CB-CG2 3.99Å; L74-I92 HydrophobicContact CD1-CG2 3.87Å; L74-I92 HydrophobicContact CG-CG2 4.49Å; P87-I92 HydrophobicContact CB-CD1 4.39Å; P87-I92 HydrophobicContact CB-CG1 4.11Å; P87-I92 HydrophobicContact CG-CD1 4.4Å; S88-I92 PolarHBondContact O-N 2.99Å; F89-I92 PolarHBondContact O-N 3.45Å; I92-A94 PolarHBondContact O-N 2.84Å; I92-L95 WeakPolarHBondContact O-CB 3.45Å; I92-L95 PolarHBondContact O-N 2.79Å; I92-L95 VanDerWaalsContact O-N 3.08Å; I92-V96 PolarHBondContact O-N 3.49Å; I92-V96 VanDerWaalsContact O-N 3.1Å
93N91.4Very high89.9Confident82 Ų8261.9 Ų61.944%0.43935%0.345SS..Hα-helixtrans-64.6-29.3178.2-70.7-19000112.3F89 S90 V96 S97F89-N93 WeakPolarHBondContact O-CB 3.48Å; F89-N93 PolarHBondContact O-N 3.15Å; F89-N93 PolarHBondContact O-ND2 3.08Å; S90-N93 PolarHBondContact O-N 2.93Å; N93-V96 PolarHBondContact O-N 3.21Å; N93-S97 VanDerWaalsContact O-CB 3.24Å; N93-S97 WeakPolarHBondContact O-CB 3.49Å; N93-S97 PolarHBondContact O-N 2.8Å; N93-S97 PolarHBondContact O-OG 2.83Å
94A90.7Very high90Very high53 Ų5353.6 Ų53.644%0.43832%0.318SS..Hα-helixtrans-66.6-37.4172.900000112.3S90 Q91 I92 T98S90-A94 WeakPolarHBondContact O-CB 3.14Å; S90-A94 PolarHBondContact O-N 3.12Å; Q91-A94 WeakPolarHBondContact O-CB 3.26Å; Q91-A94 PolarHBondContact O-N 3.25Å; I92-A94 PolarHBondContact O-N 2.84Å; A94-T98 WeakPolarHBondContact O-CB 3.47Å; A94-T98 PolarHBondContact O-N 3.44Å; A94-T98 PolarHBondContact O-OG1 3.07Å
95L91.3Very high90.1Very high12 Ų1252.3 Ų52.36%0.06331%0.312CS..Hα-helixtrans-63-49.4172.7-70.1174.8000111.3L74 I77 A78 L82 Q91 I92 S97 T98 A99 Y140L74-L95 HydrophobicContact CD2-CB 4.11Å; L74-L95 HydrophobicContact CD2-CD1 4.43Å; I77-L95 HydrophobicContact CG2-CD1 4.06Å; I77-L95 HydrophobicContact CG2-CD2 4.45Å; A78-L95 HydrophobicContact CB-CD1 4.24Å; L82-L95 HydrophobicContact CD1-CD1 4.4Å; L82-L95 HydrophobicContact CD1-CD2 3.91Å; L82-L95 HydrophobicContact CD1-CG 4.34Å; Q91-L95 PolarHBondContact O-N 3.07Å; I92-L95 WeakPolarHBondContact O-CB 3.45Å; I92-L95 PolarHBondContact O-N 2.79Å; I92-L95 VanDerWaalsContact O-N 3.08Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.76Å; L95-T98 WeakPolarHBondContact O-CB 3.12Å; L95-T98 PolarHBondContact O-N 2.89Å; L95-A99 PolarHBondContact O-N 2.78Å; L95-Y140 HydrophobicContact CD2-CD1 3.57Å; L95-Y140 HydrophobicContact CD2-CE1 4Å
96V93Very high90.2Very high5 Ų548.4 Ų48.43%0.0328%0.279CS..Hα-helixtrans-58.7-47.1176.91750000110.6I35 M69 L74 I92 N93 T98 A99 M100I35-V96 HydrophobicContact CD1-CG1 4.47Å; I35-V96 HydrophobicContact CD1-CG2 4.36Å; M69-V96 HydrophobicContact SD-CB 4.29Å; M69-V96 HydrophobicContact SD-CG1 3.86Å; M69-V96 HydrophobicContact SD-CG2 4.02Å; L74-V96 HydrophobicContact CD1-CG2 3.58Å; L74-V96 HydrophobicContact CD2-CG2 4.17Å; I92-V96 PolarHBondContact O-N 3.49Å; I92-V96 VanDerWaalsContact O-N 3.1Å; N93-V96 PolarHBondContact O-N 3.21Å; V96-T98 VanDerWaalsContact C-N 3.28Å; V96-T98 PolarHBondContact O-N 2.77Å; V96-A99 WeakPolarHBondContact O-CB 3.22Å; V96-A99 PolarHBondContact O-N 2.76Å; V96-A99 VanDerWaalsContact O-N 3.14Å; V96-M100 HydrophobicContact CG1-CG 4.27Å; V96-M100 HydrophobicContact CG1-SD 3.79Å; V96-M100 VanDerWaalsContact O-CG 3.3Å; V96-M100 WeakPolarHBondContact O-CG 3.48Å; V96-M100 PolarHBondContact O-N 2.89Å
97S92.1Very high90.2Very high71 Ų7143.6 Ų43.650%0.49726%0.257SS..Hα-helixtrans-61.1-37178.8-590000112.1N93 L95 S101N93-S97 VanDerWaalsContact O-CB 3.24Å; N93-S97 WeakPolarHBondContact O-CB 3.49Å; N93-S97 PolarHBondContact O-N 2.8Å; N93-S97 PolarHBondContact O-OG 2.83Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.76Å; S97-S101 VanDerWaalsContact O-CB 3.28Å; S97-S101 WeakPolarHBondContact O-CB 3.34Å; S97-S101 PolarHBondContact O-N 2.83Å
98T90.4Very high90.3Very high56 Ų5647.4 Ų47.434%0.34427%0.267SS..Hα-helixtrans-65.2-45.3175.4-59.40000111A94 L95 V96 S101 A102 Y137A94-T98 WeakPolarHBondContact O-CB 3.47Å; A94-T98 PolarHBondContact O-N 3.44Å; A94-T98 PolarHBondContact O-OG1 3.07Å; L95-T98 WeakPolarHBondContact O-CB 3.12Å; L95-T98 PolarHBondContact O-N 2.89Å; V96-T98 VanDerWaalsContact C-N 3.28Å; V96-T98 PolarHBondContact O-N 2.77Å; T98-S101 PolarHBondContact O-N 2.82Å; T98-A102 WeakPolarHBondContact O-CB 3.38Å; T98-A102 PolarHBondContact O-N 3.4Å; T98-Y137 HydrophobicContact CG2-CD1 4.03Å; T98-Y137 HydrophobicContact CG2-CD2 4.35Å; T98-Y137 HydrophobicContact CG2-CE1 3.56Å; T98-Y137 HydrophobicContact CG2-CE2 3.92Å; T98-Y137 HydrophobicContact CG2-CG 4.39Å
99A92.1Very high90Very high1 Ų147.2 Ų47.21%0.00826%0.26CS..Hα-helixtrans-61.9-46.1176.800000112M69 L95 V96 S101 A102 S103 M168 L242M69-A99 HydrophobicContact CE-CB 3.68Å; L95-A99 PolarHBondContact O-N 2.78Å; V96-A99 WeakPolarHBondContact O-CB 3.22Å; V96-A99 PolarHBondContact O-N 2.76Å; V96-A99 VanDerWaalsContact O-N 3.14Å; A99-S101 PolarHBondContact O-N 3.04Å; A99-A102 PolarHBondContact O-N 2.79Å; A99-S103 PolarHBondContact O-N 2.68Å; A99-S103 PolarHBondContact O-OG 3.27Å; A99-M168 HydrophobicContact CB-CE 3.81Å; A99-M168 HydrophobicContact CB-SD 3.75Å; A99-L242 HydrophobicContact CB-CD1 3.96Å
100M92.7Very high89.5Confident48 Ų4843 Ų4324%0.23625%0.248CC..Hα-helixtrans-63.1-39.1177.1-69.9177.370.600112.8C2 Y33 V96 S103 T104C2-M100 HydrophobicContact CB-CE 4.08Å; Y33-M100 HydrophobicContact CD1-CG 3.5Å; Y33-M100 VanDerWaalsContact CD1-CG 3.5Å; Y33-M100 HydrophobicContact CD1-SD 4.4Å; Y33-M100 HydrophobicContact CD2-CE 3.84Å; Y33-M100 HydrophobicContact CD2-CG 4.43Å; Y33-M100 HydrophobicContact CE1-CB 4.23Å; Y33-M100 HydrophobicContact CE1-CG 3.66Å; Y33-M100 HydrophobicContact CE2-CE 4.27Å; Y33-M100 HydrophobicContact CG-CE 3.99Å; Y33-M100 HydrophobicContact CG-CG 3.9Å; Y33-M100 HydrophobicContact CG-SD 4.24Å; V96-M100 HydrophobicContact CG1-CG 4.27Å; V96-M100 HydrophobicContact CG1-SD 3.79Å; V96-M100 VanDerWaalsContact O-CG 3.3Å; V96-M100 WeakPolarHBondContact O-CG 3.48Å; V96-M100 PolarHBondContact O-N 2.89Å; M100-S103 WeakPolarHBondContact CA-OG 3.42Å; M100-S103 PolarHBondContact O-OG 3.07Å; M100-T104 WeakPolarHBondContact O-CG2 3.48Å; M100-T104 PolarHBondContact O-N 3.29Å; M100-T104 PolarHBondContact O-OG1 2.98Å
101S90.4Very high88.8Confident55 Ų5540.2 Ų40.239%0.38523%0.229SC..Hα-helixtrans-65.1-44.3175-175.50000110.3S97 T98 A99 T104 A105 R108S97-S101 VanDerWaalsContact O-CB 3.28Å; S97-S101 WeakPolarHBondContact O-CB 3.34Å; S97-S101 PolarHBondContact O-N 2.83Å; T98-S101 PolarHBondContact O-N 2.82Å; A99-S101 PolarHBondContact O-N 3.04Å; S101-T104 PolarHBondContact O-N 3.36Å; S101-T104 PolarHBondContact O-OG1 3.22Å; S101-A105 WeakPolarHBondContact O-CB 3.47Å; S101-A105 PolarHBondContact O-N 2.89Å; S101-R108 PolarHBondContact O-NH2 3.12Å; S101-R108 PolarHBondContact OG-NH2 3.39Å
102A90.3Very high87.9Confident2 Ų247 Ų472%0.01725%0.253CS..Hα-helixtrans-66.7-38.5179.100000112.8T98 A99 T104 A105 Y137 L242T98-A102 WeakPolarHBondContact O-CB 3.38Å; T98-A102 PolarHBondContact O-N 3.4Å; A99-A102 PolarHBondContact O-N 2.79Å; A102-T104 VanDerWaalsContact C-N 3.35Å; A102-T104 PolarHBondContact O-N 3.07Å; A102-A105 WeakPolarHBondContact O-CB 3.18Å; A102-A105 PolarHBondContact O-N 2.81Å; A102-Y137 HydrophobicContact CB-CD2 4.13Å; A102-Y137 HydrophobicContact CB-CE2 3.9Å; A102-L242 HydrophobicContact CB-CB 3.93Å; A102-L242 HydrophobicContact CB-CD1 4.29Å; A102-L242 HydrophobicContact CB-CD2 4.43Å; A102-L242 HydrophobicContact CB-CG 4.46Å
103S91.4Very high86.9Confident3 Ų350.7 Ų50.72%0.02128%0.276CS..Hα-helixtrans-66.7-36.3179.159.30000112.6Y33 A99 M100 P106Y33-S103 WeakPolarHBondContact CE1-OG 3.46Å; Y33-S103 PolarHBondContact OH-OG 3.3Å; A99-S103 PolarHBondContact O-N 2.68Å; A99-S103 PolarHBondContact O-OG 3.27Å; M100-S103 WeakPolarHBondContact CA-OG 3.42Å; M100-S103 PolarHBondContact O-OG 3.07Å; S103-P106 WeakPolarHBondContact O-CD 3.38Å
104T90.3Very high85.7Confident39 Ų3948.4 Ų48.424%0.23926%0.264CS..Hα-helixtrans-91.5-3.8179.560.30000113.5M100 S101 A102 P106 L107 R108M100-T104 WeakPolarHBondContact O-CG2 3.48Å; M100-T104 PolarHBondContact O-N 3.29Å; M100-T104 PolarHBondContact O-OG1 2.98Å; S101-T104 PolarHBondContact O-N 3.36Å; S101-T104 PolarHBondContact O-OG1 3.22Å; A102-T104 VanDerWaalsContact C-N 3.35Å; A102-T104 PolarHBondContact O-N 3.07Å; T104-P106 VanDerWaalsContact C-CD 3.5Å; T104-L107 WeakPolarHBondContact O-CB 3.45Å; T104-L107 PolarHBondContact O-N 3.28Å; T104-L107 VanDerWaalsContact O-N 3.14Å; T104-R108 PolarHBondContact O-N 3.29Å; T104-R108 PolarHBondContact OG1-NE 3.44Å
105A88.8Confident84.8Confident2 Ų248.2 Ų48.22%0.01726%0.256CS..Hα-helixtrans-59.7-40.9-178.900000113.9S101 A102 L107 R108 F109S101-A105 WeakPolarHBondContact O-CB 3.47Å; S101-A105 PolarHBondContact O-N 2.89Å; A102-A105 WeakPolarHBondContact O-CB 3.18Å; A102-A105 PolarHBondContact O-N 2.81Å; A105-L107 PolarHBondContact O-N 2.76Å; A105-R108 PolarHBondContact O-N 3.15Å; A105-R108 VanDerWaalsContact O-N 3.14Å; A105-F109 PolarHBondContact O-N 3.38Å
106P87.3Confident84.5Confident1 Ų150.9 Ų50.91%0.00627%0.27CS..Hα-helixtrans-59.2-30.8175.5-22.633.1000113.4S103 T104 P110 M120 L189S103-P106 WeakPolarHBondContact O-CD 3.38Å; T104-P106 VanDerWaalsContact C-CD 3.5Å; P106-P110 WeakPolarHBondContact O-CA 3.44Å; P106-M120 HydrophobicContact CB-SD 4.24Å; P106-M120 HydrophobicContact CG-SD 4.29Å; P106-L189 HydrophobicContact CG-CD1 4.11Å; P106-L189 HydrophobicContact CG-CD2 4.02Å
107L88.2Confident84.3Confident71 Ų7152.8 Ų52.837%0.37228%0.279SS..Hα-helixtrans-74.8-30.7179.5-51.1179.5000112.3T104 A105 N115 I117 M120T104-L107 WeakPolarHBondContact O-CB 3.45Å; T104-L107 PolarHBondContact O-N 3.28Å; T104-L107 VanDerWaalsContact O-N 3.14Å; A105-L107 PolarHBondContact O-N 2.76Å; L107-N115 WeakPolarHBondContact CD2-O 3Å; L107-I117 HydrophobicContact CD1-CB 4.38Å; L107-I117 HydrophobicContact CD2-CB 4.03Å; L107-M120 HydrophobicContact CD2-SD 4.49Å
108R87.4Confident84.2Confident110 Ų11054.4 Ų54.442%0.41528%0.282SS..Hα-helixtrans-91.5-33.9-177.9-65.3179.8-68.5125.7-5.9112.5S101 T104 A105S101-R108 PolarHBondContact O-NH2 3.12Å; S101-R108 PolarHBondContact OG-NH2 3.39Å; T104-R108 PolarHBondContact O-N 3.29Å; T104-R108 PolarHBondContact OG1-NE 3.44Å; A105-R108 PolarHBondContact O-N 3.15Å; A105-R108 VanDerWaalsContact O-N 3.14Å
109F84.3Confident84.2Confident49 Ų4953.9 Ų53.922%0.21528%0.28CS..SBendtrans-127.873.3-178-52.9-66.5000109.4A105 R228A105-F109 PolarHBondContact O-N 3.38Å; F109-R228 HydrophobicContact CB-CB 4.13Å
110P77.1Confident84.1Confident72 Ų7254.1 Ų54.147%0.46828%0.282SS..  trans-60.6141.9-175.725.4-34.4000111.5P106 N115P106-P110 WeakPolarHBondContact O-CA 3.44Å; P110-N115 WeakPolarHBondContact CA-OD1 3.27Å; P110-N115 HydrophobicContact CB-CB 3.87Å
111S75.5Confident84.1Confident34 Ų3452.4 Ų52.424%0.23827%0.273CS..  trans-108-154.8174.1-1710000109.6N115 L226S111-N115 PolarHBondContact N-OD1 2.87Å; S111-N115 PolarHBondContact O-ND2 3.36Å; S111-N115 PolarHBondContact O-OD1 3.44Å; S111-L226 WeakPolarHBondContact CB-O 3.4Å; S111-L226 PolarHBondContact OG-O 2.69Å
112Y69.7Low84.1Confident214 Ų21453.2 Ų53.284%0.83928%0.283SS*.SBendtrans-86.3-20.1175.4-72.7-81.5000113.6
113V70Confident84.2Confident85 Ų8553.6 Ų53.652%0.51529%0.286SS..SBendtrans-131.7133-169.7-172.50000111.4S225V113-S225 PolarHBondContact O-OG 3.31Å
114N67.5Low84.3Confident33 Ų3353.6 Ų53.618%0.17629%0.285CS..  trans55.157.9175-59.5-36.4000114.5M120N114-M120 HydrophobicContact CB-CG 4.41Å
115N71.4Confident84.5Confident50 Ų5052.9 Ų52.927%0.26728%0.28SS..  trans-91.7-11-177.6-61.3-37.8000114.5L107 P110 S111L107-N115 WeakPolarHBondContact CD2-O 3Å; P110-N115 WeakPolarHBondContact CA-OD1 3.27Å; P110-N115 HydrophobicContact CB-CB 3.87Å; S111-N115 PolarHBondContact N-OD1 2.87Å; S111-N115 PolarHBondContact O-ND2 3.36Å; S111-N115 PolarHBondContact O-OD1 3.44Å
116D85.2Confident84.7Confident68 Ų6856.2 Ų56.236%0.36430%0.301SS..SBendtrans-110.8147.4-178.968.9-73.4000110.3L118 S119 M120D116-L118 PolarHBondContact O-N 3.12Å; D116-L118 WeakPolarHBondContact OD2-CB 3.36Å; D116-L118 PolarHBondContact OD2-N 2.8Å; D116-S119 PolarHBondContact O-N 2.93Å; D116-S119 WeakPolarHBondContact OD1-CB 3.35Å; D116-S119 PolarHBondContact OD1-OG 2.79Å; D116-S119 PolarHBondContact OD2-N 2.8Å; D116-S119 PolarHBondContact OD2-OG 2.87Å; D116-S119 VanDerWaalsContact OD2-OG 3.07Å; D116-M120 PolarHBondContact O-N 2.84Å
117I88.3Confident84.8Confident44 Ų4457.2 Ų57.223%0.22631%0.308CS..Hα-helixtrans-62.5-32.5-178.1-167.8169.1000111.3L29 Q31 L107 M120 L121L29-I117 HydrophobicContact CD1-CG2 3.78Å; Q31-I117 HydrophobicContact CB-CD1 4.12Å; L107-I117 HydrophobicContact CD1-CB 4.38Å; L107-I117 HydrophobicContact CD2-CB 4.03Å; I117-M120 PolarHBondContact O-N 3.15Å; I117-L121 HydrophobicContact CG1-CD1 4.33Å; I117-L121 HydrophobicContact CG1-CG 4.25Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.38Å; I117-L121 PolarHBondContact O-N 3.48Å
118L90.4Very high85Confident106 Ų10659.2 Ų59.256%0.55533%0.326SS*.Hα-helixtrans-65.7-48.1-179.4177.365.7000111.2L29 D116 M120 L121 A122L29-L118 HydrophobicContact CD1-CB 3.85Å; L29-L118 HydrophobicContact CD1-CD1 3.98Å; D116-L118 PolarHBondContact O-N 3.12Å; D116-L118 WeakPolarHBondContact OD2-CB 3.36Å; D116-L118 PolarHBondContact OD2-N 2.8Å; L118-M120 VanDerWaalsContact C-N 3.29Å; L118-M120 PolarHBondContact O-N 3.42Å; L118-L121 PolarHBondContact O-N 3.26Å; L118-A122 VanDerWaalsContact O-CB 3.31Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.09Å
119S89.9Confident85.2Confident44 Ų4458.9 Ų58.931%0.30832%0.324SS..Hα-helixtrans-60.4-38.6175.5-63.70000112.3D116 C123D116-S119 PolarHBondContact O-N 2.93Å; D116-S119 WeakPolarHBondContact OD1-CB 3.35Å; D116-S119 PolarHBondContact OD1-OG 2.79Å; D116-S119 PolarHBondContact OD2-N 2.8Å; D116-S119 PolarHBondContact OD2-OG 2.87Å; D116-S119 VanDerWaalsContact OD2-OG 3.07Å; S119-C123 PolarHBondContact O-N 2.84Å
120M90.1Very high85.8Confident7 Ų756.6 Ų56.63%0.03431%0.314CS..Hα-helixtrans-64.2-47.2174.4-70176.557.500111.4P106 L107 N114 D116 I117 L118 C123 L124 L187 L189 L244P106-M120 HydrophobicContact CB-SD 4.24Å; P106-M120 HydrophobicContact CG-SD 4.29Å; L107-M120 HydrophobicContact CD2-SD 4.49Å; N114-M120 HydrophobicContact CB-CG 4.41Å; D116-M120 PolarHBondContact O-N 2.84Å; I117-M120 PolarHBondContact O-N 3.15Å; L118-M120 VanDerWaalsContact C-N 3.29Å; L118-M120 PolarHBondContact O-N 3.42Å; M120-C123 PolarHBondContact O-N 2.97Å; M120-C123 PolarHBondContact O-SG 2.75Å; M120-L124 WeakPolarHBondContact O-CD1 2.92Å; M120-L124 WeakPolarHBondContact O-CG 3.41Å; M120-L124 PolarHBondContact O-N 2.77Å; M120-L187 HydrophobicContact CB-CD2 4.3Å; M120-L187 HydrophobicContact CE-CD2 4.16Å; M120-L187 HydrophobicContact CG-CD2 4.25Å; M120-L189 HydrophobicContact CE-CD1 3.89Å; M120-L189 HydrophobicContact CE-CD2 4.15Å; M120-L244 HydrophobicContact CE-CD1 4.1Å
121L92.1Very high86.7Confident12 Ų1253.2 Ų53.26%0.06329%0.292CS..Hα-helixtrans-67-40.3179.2-65.8-172.3000112L29 N64 C65 I117 L118 C123 L124 I125L29-L121 HydrophobicContact CD1-CD1 4.38Å; N64-L121 HydrophobicContact CB-CD1 4.42Å; C65-L121 HydrophobicContact CB-CD1 3.95Å; C65-L121 HydrophobicContact CB-CD2 3.5Å; C65-L121 HydrophobicContact CB-CG 4.39Å; C65-L121 VanDerWaalsContact SG-CD2 3.53Å; I117-L121 HydrophobicContact CG1-CD1 4.33Å; I117-L121 HydrophobicContact CG1-CG 4.25Å; I117-L121 VanDerWaalsContact O-CG 3.27Å; I117-L121 WeakPolarHBondContact O-CG 3.38Å; I117-L121 PolarHBondContact O-N 3.48Å; L118-L121 PolarHBondContact O-N 3.26Å; L121-C123 PolarHBondContact O-N 3.13Å; L121-L124 PolarHBondContact O-N 2.88Å; L121-I125 HydrophobicContact CB-CD1 4.4Å; L121-I125 HydrophobicContact CD2-CD1 3.98Å; L121-I125 PolarHBondContact O-N 3.4Å
122A91.6Very high87.8Confident72 Ų7251.6 Ų51.660%0.59528%0.281SS*.Hα-helixtrans-60.5-30178.300000112.9L118L118-A122 VanDerWaalsContact O-CB 3.31Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.09Å
123C90.6Very high89.1Confident10 Ų1041.4 Ų41.47%0.06824%0.241CC..Hα-helixtrans-82.9-15.2175.581.70000114.2S119 M120 L121 S185S119-C123 PolarHBondContact O-N 2.84Å; M120-C123 PolarHBondContact O-N 2.97Å; M120-C123 PolarHBondContact O-SG 2.75Å; L121-C123 PolarHBondContact O-N 3.13Å; C123-S185 WeakPolarHBondContact O-CB 3.42Å
124L94.3Very high90.4Very high2 Ų237.3 Ų37.31%0.0122%0.216CC..Hα-helixtrans-103.6-34.9-175-78.1163.6000113M120 L121 P126 L133 S185 L187 L244 N246M120-L124 WeakPolarHBondContact O-CD1 2.92Å; M120-L124 WeakPolarHBondContact O-CG 3.41Å; M120-L124 PolarHBondContact O-N 2.77Å; L121-L124 PolarHBondContact O-N 2.88Å; L124-P126 WeakPolarHBondContact O-CD 3.26Å; L124-L133 HydrophobicContact CB-CD1 4.13Å; L124-L133 HydrophobicContact CB-CD2 4.17Å; L124-L133 HydrophobicContact CD1-CD1 3.77Å; L124-L133 HydrophobicContact CG-CD1 4.37Å; L124-S185 VanDerWaalsContact CA-OG 3.23Å; L124-S185 WeakPolarHBondContact CA-OG 3.15Å; L124-S185 PolarHBondContact O-OG 2.73Å; L124-L187 HydrophobicContact CD1-CB 4.14Å; L124-L187 HydrophobicContact CD1-CD2 3.81Å; L124-L187 HydrophobicContact CD2-CB 3.81Å; L124-L187 HydrophobicContact CG-CB 4.1Å; L124-L187 HydrophobicContact CG-CD2 4.41Å; L124-L244 HydrophobicContact CD1-CB 3.9Å; L124-L244 HydrophobicContact CD1-CD1 4.16Å; L124-L244 HydrophobicContact CD2-CB 4.25Å; L124-L244 WeakPolarHBondContact CD2-O 3.32Å; L124-N246 VanDerWaalsContact O-CB 3.29Å; L124-N246 WeakPolarHBondContact O-CB 3.32Å; L124-N246 PolarHBondContact O-ND2 2.96Å
125I94.9Very high91.7Very high25 Ų2535.8 Ų35.813%0.12821%0.208CC..  trans-121.499-166.7-58.7173.4000108.6N64 C65 L121 S127 H131 L133N64-I125 VanDerWaalsContact O-CD1 3.31Å; N64-I125 WeakPolarHBondContact O-CD1 3.48Å; C65-I125 HydrophobicContact CB-CD1 4.04Å; L121-I125 HydrophobicContact CB-CD1 4.4Å; L121-I125 HydrophobicContact CD2-CD1 3.98Å; L121-I125 PolarHBondContact O-N 3.4Å; I125-S127 WeakPolarHBondContact CG2-O 3.38Å; I125-H131 HydrophobicContact CD1-CB 3.79Å; I125-H131 HydrophobicContact CG1-CB 4.42Å; I125-H131 HydrophobicContact CG2-CB 4.07Å; I125-L133 HydrophobicContact CG1-CD2 4.18Å
126P92Very high92.9Very high72 Ų7233.4 Ų33.447%0.46820%0.195SC..SBendtrans-79.6-25.1179.530.8-34.7000113.2L124 L130 I184 W217L124-P126 WeakPolarHBondContact O-CD 3.26Å; P126-L130 HydrophobicContact CG-CD1 4.41Å; P126-I184 HydrophobicContact CG-CG2 3.54Å; P126-W217 HydrophobicContact CB-CH2 4.16Å; P126-W217 HydrophobicContact CB-CZ3 4.45Å; P126-W217 HydrophobicContact CG-CH2 3.82Å
127S91.2Very high93.3Very high21 Ų2131.4 Ų31.415%0.14718%0.183CC..SBendtrans-132140.7179.6169.30000109.5I125 R129 L130I125-S127 WeakPolarHBondContact CG2-O 3.38Å; S127-R129 PolarHBondContact O-N 2.95Å; S127-R129 VanDerWaalsContact O-N 3.08Å; S127-L130 PolarHBondContact O-N 3.21Å
128P90.7Very high93.4Very high114 Ų11429.5 Ų29.574%0.7417%0.173SC*.THydrogen-bonded Turntrans-56.6-24.2-179.5-26.534.8000115.1H131P128-H131 PolarHBondContact O-ND1 3.34Å
129R93.1Very high93.3Very high103 Ų10325 Ų2539%0.38915%0.15SC..THydrogen-bonded Turntrans-83.4-18.8177.1-64.7178.566.584.21.5113.2S127 H131 G295 L296 E299S127-R129 PolarHBondContact O-N 2.95Å; S127-R129 VanDerWaalsContact O-N 3.08Å; R129-H131 VanDerWaalsContact C-N 3.34Å; R129-H131 PolarHBondContact O-N 3.27Å; R129-H131 PolarHBondContact O-ND1 3.38Å; R129-G295 PolarHBondContact NH2-O 3.09Å; R129-G295 VanDerWaalsContact NH2-O 3.11Å; R129-L296 WeakPolarHBondContact O-CD1 3.31Å; R129-E299 HydrophobicContact CB-CG 3.96Å; R129-E299 IonicContact NE-OE2 3.06Å
130L96Very high93Very high0 Ų023.7 Ų23.70%014%0.139CC..  trans-97.650.7-177.6-60.9179.3000110.7P126 S127 I184 N246 E299 Y300 A303 Y308P126-L130 HydrophobicContact CG-CD1 4.41Å; S127-L130 PolarHBondContact O-N 3.21Å; L130-I184 HydrophobicContact CB-CD1 4.46Å; L130-I184 HydrophobicContact CD1-CD1 4Å; L130-N246 PolarHBondContact O-ND2 3.49Å; L130-E299 HydrophobicContact CD2-CG 3.87Å; L130-E299 HydrophobicContact CG-CG 4.39Å; L130-Y300 WeakPolarHBondContact CA-OH 3.37Å; L130-Y300 HydrophobicContact CB-CE1 4.42Å; L130-Y300 HydrophobicContact CD2-CD1 3.61Å; L130-Y300 HydrophobicContact CD2-CD2 3.8Å; L130-Y300 HydrophobicContact CD2-CE1 3.7Å; L130-Y300 HydrophobicContact CD2-CE2 3.85Å; L130-Y300 HydrophobicContact CD2-CG 3.7Å; L130-A303 HydrophobicContact CD1-CB 3.98Å; L130-A303 HydrophobicContact CD2-CB 4.39Å; L130-Y308 HydrophobicContact CD1-CE1 4.28Å
131H96.5Very high92.3Very high1 Ų125.6 Ų25.61%0.00515%0.151CC..  trans-107.49.1-171.163.3-68.2000115.1L59 A60 S63 N64 V66 I125 P128 R129 Y300L59-H131 PolarHBondContact O-NE2 3.23Å; A60-H131 PolarHBondContact O-CE1 2.86Å; A60-H131 VanDerWaalsContact O-CE1 3.26Å; S63-H131 PolarHBondContact O-CD2 3.4Å; S63-H131 VanDerWaalsContact O-CD2 3.25Å; S63-H131 PolarHBondContact O-NE2 3.19Å; N64-H131 WeakPolarHBondContact O-CB 3.31Å; V66-H131 PolarHBondContact N-O 2.93Å; I125-H131 HydrophobicContact CD1-CB 3.79Å; I125-H131 HydrophobicContact CG1-CB 4.42Å; I125-H131 HydrophobicContact CG2-CB 4.07Å; P128-H131 PolarHBondContact O-ND1 3.34Å; R129-H131 VanDerWaalsContact C-N 3.34Å; R129-H131 PolarHBondContact O-N 3.27Å; R129-H131 PolarHBondContact O-ND1 3.38Å; H131-Y300 PolarHBondContact N-OH 2.99Å
132F97.7Very high91.1Very high0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-89.4113.9172.8-67.1-104.2000110.1L56 L59 V66 V68 V250 F254 L296 Y300L56-F132 HydrophobicContact CD2-CE1 4.06Å; L56-F132 HydrophobicContact CD2-CZ 4.42Å; L59-F132 HydrophobicContact CB-CE1 4.32Å; L59-F132 HydrophobicContact CB-CZ 4.04Å; V66-F132 HydrophobicContact CB-CD1 3.69Å; V66-F132 HydrophobicContact CB-CE1 3.9Å; V66-F132 HydrophobicContact CB-CG 4.18Å; V66-F132 HydrophobicContact CG1-CD1 3.75Å; V66-F132 HydrophobicContact CG1-CE1 3.84Å; V66-F132 HydrophobicContact CG2-CD1 4.21Å; V66-F132 HydrophobicContact CG2-CE1 3.96Å; V66-F132 HydrophobicContact CG2-CZ 4.19Å; V66-F132 CarbonylContact O-C 3.48Å; V66-F132 WeakPolarHBondContact O-CA 3.48Å; V68-F132 HydrophobicContact CG2-CB 4.08Å; V68-F132 HydrophobicContact CG2-CD1 3.84Å; V68-F132 HydrophobicContact CG2-CG 4.47Å; F132-V250 HydrophobicContact CB-CG1 4.22Å; F132-V250 HydrophobicContact CB-CG2 4Å; F132-F254 HydrophobicContact CB-CZ 4.13Å; F132-F254 AromaticContact CD1-CE1 3.95Å; F132-F254 HydrophobicContact CD1-CE1 3.95Å; F132-F254 AromaticContact CD1-CZ 3.79Å; F132-F254 HydrophobicContact CD1-CZ 3.79Å; F132-F254 AromaticContact CD2-CZ 3.83Å; F132-F254 HydrophobicContact CD2-CZ 3.83Å; F132-F254 AromaticContact CE1-CE1 3.98Å; F132-F254 HydrophobicContact CE1-CE1 3.98Å; F132-F254 HydrophobicContact CE1-CZ 4.1Å; F132-F254 HydrophobicContact CE2-CZ 4.16Å; F132-F254 HydrophobicContact CG-CE1 4.29Å; F132-F254 AromaticContact CG-CZ 3.64Å; F132-F254 HydrophobicContact CG-CZ 3.64Å; F132-F254 HydrophobicContact CZ-CE1 4.34Å; F132-F254 HydrophobicContact CZ-CZ 4.28Å; F132-L296 HydrophobicContact CD2-CD1 4.41Å; F132-L296 HydrophobicContact CD2-CD2 4.09Å; F132-L296 HydrophobicContact CE2-CD1 4.14Å; F132-L296 HydrophobicContact CE2-CD2 3.43Å; F132-L296 VanDerWaalsContact CE2-CD2 3.43Å; F132-L296 HydrophobicContact CE2-CG 4.39Å; F132-L296 HydrophobicContact CZ-CD2 3.83Å; F132-Y300 WeakPolarHBondContact CA-OH 3.34Å; F132-Y300 WeakPolarHBondContact CB-OH 3.27Å; F132-Y300 HydrophobicContact CD2-CE2 4.32Å; F132-Y300 PolarHBondContact N-OH 3.14Å; F132-Y300 PolarHBondContact O-OH 3.36Å
133L97.6Very high89.6Confident0 Ų026.6 Ų26.60%016%0.158CC..EExtended strand (participates in β ladder)trans-107.3134.8-177.2-54.8-175.8000110.2C65 V66 I67 V68 L124 I125 A245 N246C65-L133 VanDerWaalsContact SG-CD1 3.56Å; V66-L133 PolarHBondContact O-N 2.88Å; I67-L133 WeakPolarHBondContact CA-O 3.35Å; V68-L133 PolarHBondContact N-O 2.67Å; L124-L133 HydrophobicContact CB-CD1 4.13Å; L124-L133 HydrophobicContact CB-CD2 4.17Å; L124-L133 HydrophobicContact CD1-CD1 3.77Å; L124-L133 HydrophobicContact CG-CD1 4.37Å; I125-L133 HydrophobicContact CG1-CD2 4.18Å; L133-A245 CarbonylContact C-O 3.55Å; L133-A245 WeakPolarHBondContact CA-O 3.27Å; L133-N246 HydrophobicContact CD2-CB 3.58Å
134I96.6Very high87.9Confident0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-86.9154.6168.465.4170.1000110.1V167 V169 I172 F173 A245 Y247I134-V167 HydrophobicContact CB-CG1 4.38Å; I134-V167 HydrophobicContact CD1-CG1 4.19Å; I134-V169 HydrophobicContact CB-CG2 4.1Å; I134-V169 HydrophobicContact CG2-CG2 4.01Å; I134-I172 HydrophobicContact CB-CD1 4.42Å; I134-I172 HydrophobicContact CD1-CD1 3.55Å; I134-I172 HydrophobicContact CG2-CD1 3.98Å; I134-F173 HydrophobicContact CD1-CZ 3.93Å; I134-A245 HydrophobicContact CD1-CB 4.35Å; I134-A245 HydrophobicContact CG1-CB 3.89Å; I134-A245 WeakPolarHBondContact CG1-O 3.48Å; I134-A245 PolarHBondContact N-O 2.8Å; I134-A245 PolarHBondContact O-N 3.4Å; I134-Y247 HydrophobicContact CD1-CD1 4.13Å; I134-Y247 HydrophobicContact CD1-CG 4.1Å
135T96.6Very high86Confident1 Ų136.2 Ų36.21%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-135.4153.8-179.3-166.40000113.1I67 M69 V167 M168 L242 M243I67-T135 HydrophobicContact CG2-CG2 3.72Å; M69-T135 HydrophobicContact CE-CG2 3.67Å; M69-T135 HydrophobicContact CG-CG2 3.77Å; M69-T135 HydrophobicContact SD-CG2 4.46Å; T135-V167 WeakPolarHBondContact O-CA 3.44Å; T135-V167 WeakPolarHBondContact O-CG1 3.41Å; T135-M168 HydrophobicContact CG2-CB 4.18Å; T135-M168 HydrophobicContact CG2-CG 4.39Å; T135-M168 HydrophobicContact CG2-SD 4.01Å; T135-M168 PolarHBondContact O-N 2.82Å; T135-L242 WeakPolarHBondContact OG1-CD1 3.3Å; T135-M243 WeakPolarHBondContact CA-O 3.28Å; T135-M243 WeakPolarHBondContact CB-O 3.29Å; T135-M243 PolarHBondContact OG1-O 3.29Å
136G95.3Very high84Confident0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-150.6151.2173.900000110.3L161 N166 L242 M243G136-L161 WeakPolarHBondContact O-CD2 3.31Å; G136-N166 WeakPolarHBondContact CA-O 3.42Å; G136-L242 CarbonylContact O-C 3.19Å; G136-L242 VanDerWaalsContact O-CA 3.31Å; G136-L242 WeakPolarHBondContact O-CA 3.42Å; G136-L242 WeakPolarHBondContact O-CD1 3.47Å; G136-M243 PolarHBondContact N-O 3.21Å; G136-M243 PolarHBondContact O-N 2.96Å
137Y93.8Very high82Confident26 Ų2640.9 Ų40.910%0.10224%0.237CC..EExtended strand (participates in β ladder)trans-126.9150.5-178.8-176.2-98.9000111T98 A102 P139 Y140 N166 G241 L242T98-Y137 HydrophobicContact CG2-CD1 4.03Å; T98-Y137 HydrophobicContact CG2-CD2 4.35Å; T98-Y137 HydrophobicContact CG2-CE1 3.56Å; T98-Y137 HydrophobicContact CG2-CE2 3.92Å; T98-Y137 HydrophobicContact CG2-CG 4.39Å; A102-Y137 HydrophobicContact CB-CD2 4.13Å; A102-Y137 HydrophobicContact CB-CE2 3.9Å; Y137-P139 WeakPolarHBondContact CE1-O 3.26Å; Y137-Y140 HydrophobicContact CD1-CD1 4Å; Y137-Y140 AromaticContact CD1-CE1 3.98Å; Y137-Y140 HydrophobicContact CD1-CE1 3.98Å; Y137-Y140 HydrophobicContact CG-CE1 4.36Å; Y137-Y140 PolarHBondContact N-OH 3.36Å; Y137-Y140 VanDerWaalsContact N-OH 3.07Å; Y137-Y140 WeakPolarHBondContact O-CE2 3.35Å; Y137-Y140 PolarHBondContact O-OH 3.48Å; Y137-N166 PolarHBondContact N-O 3.47Å; Y137-G241 WeakPolarHBondContact CA-O 2.89Å; Y137-G241 VanDerWaalsContact CD2-O 3.23Å; Y137-G241 WeakPolarHBondContact CD2-O 3.39Å; Y137-L242 HydrophobicContact CD2-CB 4.38Å; Y137-L242 HydrophobicContact CD2-CD1 4.07Å
138T91.5Very high80.1Confident3 Ų342.7 Ų42.72%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-156.8147.8172.8-160.80000111.6V157 R160 L161 S240 G241T138-V157 HydrophobicContact CG2-CB 4.19Å; T138-V157 HydrophobicContact CG2-CG1 3.72Å; T138-V157 HydrophobicContact CG2-CG2 4.32Å; T138-R160 HydrophobicContact CG2-CB 4.16Å; T138-L161 HydrophobicContact CG2-CD2 3.71Å; T138-L161 HydrophobicContact CG2-CG 3.72Å; T138-S240 CarbonylContact O-C 3.42Å; T138-S240 WeakPolarHBondContact O-CA 3.32Å; T138-G241 PolarHBondContact N-O 3.08Å; T138-G241 PolarHBondContact O-N 3.5Å
139P87.8Confident78.3Confident12 Ų1240.1 Ų40.18%0.07824%0.241CC..  cis-75.3148.5-12.733.8-35.4000111.8Y137 T141 T152 N237Y137-P139 WeakPolarHBondContact CE1-O 3.26Å; P139-T141 HydrophobicContact CB-CG2 4.02Å; P139-T141 HydrophobicContact CG-CG2 3.99Å; P139-T152 HydrophobicContact CG-CG2 4.5Å; P139-N237 HydrophobicContact CG-CB 4.22Å
140Y83.3Confident76.4Confident16 Ų1644.6 Ų44.66%0.06326%0.257CS..  trans-80.5114.8163.6-60.9-71.3000108I77 R81 L95 Y137 N166 M168I77-Y140 HydrophobicContact CD1-CE2 4.29Å; I77-Y140 HydrophobicContact CG1-CE2 4.36Å; I77-Y140 HydrophobicContact CG2-CD1 3.85Å; I77-Y140 HydrophobicContact CG2-CD2 3.71Å; I77-Y140 HydrophobicContact CG2-CE1 3.84Å; I77-Y140 HydrophobicContact CG2-CE2 3.69Å; I77-Y140 HydrophobicContact CG2-CG 3.79Å; R81-Y140 HydrophobicContact CB-CD2 4.22Å; R81-Y140 HydrophobicContact CB-CG 4.49Å; R81-Y140 HydrophobicContact CG-CD2 4.06Å; L95-Y140 HydrophobicContact CD2-CD1 3.57Å; L95-Y140 HydrophobicContact CD2-CE1 4Å; Y137-Y140 HydrophobicContact CD1-CD1 4Å; Y137-Y140 AromaticContact CD1-CE1 3.98Å; Y137-Y140 HydrophobicContact CD1-CE1 3.98Å; Y137-Y140 HydrophobicContact CG-CE1 4.36Å; Y137-Y140 PolarHBondContact N-OH 3.36Å; Y137-Y140 VanDerWaalsContact N-OH 3.07Å; Y137-Y140 WeakPolarHBondContact O-CE2 3.35Å; Y137-Y140 PolarHBondContact O-OH 3.48Å; Y140-N166 HydrophobicContact CE2-CB 4.2Å; Y140-N166 PolarHBondContact OH-O 2.7Å; Y140-M168 HydrophobicContact CE1-CE 3.59Å; Y140-M168 VanDerWaalsContact OH-CE 3.22Å; Y140-M168 WeakPolarHBondContact OH-CE 3.23Å
141T74.8Confident74.8Confident48 Ų4854.1 Ų54.129%0.29430%0.299SS..  trans-129132.5-178.152.90000110.5P139 N237P139-T141 HydrophobicContact CB-CG2 4.02Å; P139-T141 HydrophobicContact CG-CG2 3.99Å; T141-N237 PolarHBondContact OG1-ND2 3.45Å
142T66.6Low73.8Confident34 Ų3454.5 Ų54.521%0.20930%0.301CS..  trans-85.6164.2163.360.20000110.6L82 D144 Q145L82-T142 HydrophobicContact CB-CG2 3.92Å; L82-T142 HydrophobicContact CD1-CG2 4.4Å; L82-T142 HydrophobicContact CD2-CG2 3.77Å; L82-T142 HydrophobicContact CG-CG2 4.25Å; T142-D144 PolarHBondContact O-N 3.02Å; T142-Q145 PolarHBondContact O-N 3.47Å; T142-Q145 VanDerWaalsContact OG1-CG 3.31Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.47Å; T142-Q145 PolarHBondContact OG1-N 2.79Å
143A60.9Low73.1Confident71 Ų7156.4 Ų56.459%0.58732%0.315SS*.G310 helixtrans-58.5-30.5174.300000112.8I146A143-I146 WeakPolarHBondContact O-CD1 3.43Å; A143-I146 WeakPolarHBondContact O-CG1 3.44Å
144D54.3Low72.6Confident147 Ų14756.4 Ų56.479%0.78632%0.315SS*.G310 helixtrans-79.7-21.6-179.3-59-34.2000113.5T142 I146T142-D144 PolarHBondContact O-N 3.02Å; D144-I146 VanDerWaalsContact C-N 3.28Å; D144-I146 PolarHBondContact O-N 3.17Å
145Q55.3Low72.2Confident66 Ų6657.3 Ų57.331%0.30832%0.322SS..G310 helixtrans-83.12-178.7-72.3-17912.700113.9R81 T142 S147R81-Q145 PolarHBondContact O-NE2 3.07Å; T142-Q145 PolarHBondContact O-N 3.47Å; T142-Q145 VanDerWaalsContact OG1-CG 3.31Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.47Å; T142-Q145 PolarHBondContact OG1-N 2.79Å; Q145-S147 VanDerWaalsContact C-N 3.33Å; Q145-S147 PolarHBondContact O-N 2.84Å
146I52.7Low71.7Confident72 Ų7259.2 Ų59.237%0.36933%0.332SS..G310 helixtrans-66.3-31.8-175-58.4166.6000112.4A143 D144 G148 V149 M236A143-I146 WeakPolarHBondContact O-CD1 3.43Å; A143-I146 WeakPolarHBondContact O-CG1 3.44Å; D144-I146 VanDerWaalsContact C-N 3.28Å; D144-I146 PolarHBondContact O-N 3.17Å; I146-G148 PolarHBondContact O-N 3.3Å; I146-G148 VanDerWaalsContact O-N 3.09Å; I146-V149 VanDerWaalsContact O-CG2 3.27Å; I146-V149 WeakPolarHBondContact O-CG2 3.48Å; I146-V149 PolarHBondContact O-N 3.27Å; I146-M236 HydrophobicContact CD1-CE 3.2Å; I146-M236 HydrophobicContact CD1-SD 3.96Å; I146-M236 HydrophobicContact CG1-CE 3.75Å
147S51Low71.5Confident124 Ų12459.4 Ų59.487%0.86733%0.333SS*.G310 helixtrans-66.2-15.9-173.159.10000114.3Q145Q145-S147 VanDerWaalsContact C-N 3.33Å; Q145-S147 PolarHBondContact O-N 2.84Å
148G49.8Very low71.4Confident59 Ų5958.1 Ų58.161%0.60833%0.328SS*.G310 helixtrans-117.717.4-176.800000115.5I146 R150I146-G148 PolarHBondContact O-N 3.3Å; I146-G148 VanDerWaalsContact O-N 3.09Å; G148-R150 PolarHBondContact O-N 3.33Å
149V52.5Low71.3Confident60 Ų6061.9 Ų61.936%0.36434%0.342SS..  trans-54.1101.3-173.21740000111I146 K151I146-V149 VanDerWaalsContact O-CG2 3.27Å; I146-V149 WeakPolarHBondContact O-CG2 3.48Å; I146-V149 PolarHBondContact O-N 3.27Å; V149-K151 PolarHBondContact O-N 3.36Å
150R55Low71.5Confident196 Ų19664.5 Ų64.574%0.7435%0.351SS*.  trans-51135.6167.6-77.7177.9171.4173.6-4.3107.6G148 T152G148-R150 PolarHBondContact O-N 3.33Å; R150-T152 VanDerWaalsContact C-N 3.34Å; R150-T152 PolarHBondContact O-N 3.28Å
151K61.9Low72Confident200 Ų20063.8 Ų63.887%0.8735%0.348SS*.  trans-48.198.7168.6-69.2-178.5179.7178.90108.7V149 S153V149-K151 PolarHBondContact O-N 3.36Å; K151-S153 PolarHBondContact O-N 3.06Å
152T74.1Confident72.7Confident9 Ų962.3 Ų62.36%0.05534%0.338CS..  trans-80.5107.7177.550.30000107.2P139 R150 V239P139-T152 HydrophobicContact CG-CG2 4.5Å; R150-T152 VanDerWaalsContact C-N 3.34Å; R150-T152 PolarHBondContact O-N 3.28Å; T152-V239 PolarHBondContact OG1-N 3.3Å; T152-V239 PolarHBondContact OG1-O 2.82Å
153S83.8Confident73.9Confident41 Ų4164.6 Ų64.629%0.28735%0.346SS..  trans-82.1159.217171.40000110.9K151 A155 D156 V157K151-S153 PolarHBondContact O-N 3.06Å; S153-A155 VanDerWaalsContact C-N 3.28Å; S153-A155 PolarHBondContact O-N 3.07Å; S153-D156 PolarHBondContact O-N 3.35Å; S153-D156 WeakPolarHBondContact OG-CB 3.48Å; S153-D156 PolarHBondContact OG-N 2.95Å; S153-D156 VanDerWaalsContact OG-N 3.09Å; S153-D156 PolarHBondContact OG-OD2 3.21Å; S153-V157 PolarHBondContact O-N 2.82Å
154V87.7Confident75.3Confident0 Ų064.6 Ų64.60%034%0.34CS..Hα-helixtrans-58.4-44.3174.4175.90000110.6D156 V157 M158 I190 V194 E198 I199 V239V154-D156 VanDerWaalsContact C-N 3.28Å; V154-D156 PolarHBondContact O-N 2.92Å; V154-V157 PolarHBondContact O-N 2.6Å; V154-M158 HydrophobicContact CG1-CG 4.39Å; V154-M158 HydrophobicContact CG1-SD 3.86Å; V154-M158 WeakPolarHBondContact O-CG 3.48Å; V154-M158 PolarHBondContact O-N 3.46Å; V154-I190 HydrophobicContact CG1-CD1 3.95Å; V154-V194 HydrophobicContact CG1-CG1 4.28Å; V154-V194 HydrophobicContact CG2-CB 4.04Å; V154-V194 HydrophobicContact CG2-CG1 3.5Å; V154-V194 VanDerWaalsContact CG2-CG1 3.5Å; V154-V194 HydrophobicContact CG2-CG2 3.69Å; V154-E198 HydrophobicContact CB-CB 4.16Å; V154-E198 HydrophobicContact CG2-CB 4.29Å; V154-E198 VanDerWaalsContact CG2-OE2 3.25Å; V154-E198 WeakPolarHBondContact CG2-OE2 3.43Å; V154-I199 HydrophobicContact CG1-CG1 3.92Å; V154-V239 HydrophobicContact CG2-CG1 4.35Å; V154-V239 HydrophobicContact CG2-CG2 4.47Å
155A87.1Confident76.9Confident19 Ų1958.4 Ų58.416%0.15731%0.311CS..Hα-helixtrans-61.5-35.1177.600000112.7S153 R159S153-A155 VanDerWaalsContact C-N 3.28Å; S153-A155 PolarHBondContact O-N 3.07Å; A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.4Å; A155-R159 PolarHBondContact O-N 3.43Å; A155-R159 VanDerWaalsContact O-N 3.08Å
156D87.3Confident78.7Confident41 Ų4155.5 Ų55.522%0.21930%0.298CS..Hα-helixtrans-72.2-40.2175.4-66-37.8000112.1S153 V154 R159 R160S153-D156 PolarHBondContact O-N 3.35Å; S153-D156 WeakPolarHBondContact OG-CB 3.48Å; S153-D156 PolarHBondContact OG-N 2.95Å; S153-D156 VanDerWaalsContact OG-N 3.09Å; S153-D156 PolarHBondContact OG-OD2 3.21Å; V154-D156 VanDerWaalsContact C-N 3.28Å; V154-D156 PolarHBondContact O-N 2.92Å; D156-R159 PolarHBondContact O-N 3.3Å; D156-R159 IonicContact OD1-CZ 3.31Å; D156-R159 VanDerWaalsContact OD1-CZ 3.31Å; D156-R159 IonicContact OD1-NH1 2.71Å; D156-R159 PolarHBondContact OD1-NH1 2.83Å; D156-R159 IonicContact OD1-NH2 3.03Å; D156-R159 PolarHBondContact OD1-NH2 3.34Å; D156-R160 WeakPolarHBondContact O-CB 3.27Å; D156-R160 VanDerWaalsContact O-CG 3.24Å; D156-R160 WeakPolarHBondContact O-CG 3.31Å; D156-R160 PolarHBondContact O-N 2.81Å
157V90.6Very high80.7Confident3 Ų352.1 Ų52.12%0.01828%0.28CS..Hα-helixtrans-60.3-52174.8166.30000109.9T138 S153 V154 R159 R160 L161 V239T138-V157 HydrophobicContact CG2-CB 4.19Å; T138-V157 HydrophobicContact CG2-CG1 3.72Å; T138-V157 HydrophobicContact CG2-CG2 4.32Å; S153-V157 PolarHBondContact O-N 2.82Å; V154-V157 PolarHBondContact O-N 2.6Å; V157-R159 VanDerWaalsContact C-N 3.3Å; V157-R159 PolarHBondContact O-N 2.54Å; V157-R160 PolarHBondContact O-N 2.8Å; V157-L161 HydrophobicContact CG1-CD1 4.07Å; V157-L161 HydrophobicContact CG1-CG 4.43Å; V157-L161 WeakPolarHBondContact O-CG 3.17Å; V157-L161 PolarHBondContact O-N 3.4Å; V157-V239 HydrophobicContact CG2-CB 4.25Å; V157-V239 HydrophobicContact CG2-CG1 3.96Å
158M91.3Very high82.8Confident0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-58.1-42178.5-68.6173.472.600112.2V154 I190 L203 I206 Y222 V224V154-M158 HydrophobicContact CG1-CG 4.39Å; V154-M158 HydrophobicContact CG1-SD 3.86Å; V154-M158 WeakPolarHBondContact O-CG 3.48Å; V154-M158 PolarHBondContact O-N 3.46Å; M158-I190 HydrophobicContact CG-CD1 3.6Å; M158-I190 HydrophobicContact SD-CD1 4.12Å; M158-L203 HydrophobicContact CE-CD2 3.8Å; M158-L203 HydrophobicContact CE-CG 3.95Å; M158-I206 HydrophobicContact CB-CD1 3.96Å; M158-I206 HydrophobicContact CE-CD1 3.82Å; M158-Y222 HydrophobicContact CE-CE1 3.9Å; M158-V224 HydrophobicContact CE-CG2 3.7Å; M158-V224 HydrophobicContact SD-CG2 4.49Å
159R89.9Confident84.9Confident81 Ų8143.5 Ų43.531%0.30621%0.211SC..Hα-helixtrans-66.9-41.7177.6-167-170.3-45.6115.216.1112.3A155 D156 V157 L162A155-R159 VanDerWaalsContact O-CB 3.31Å; A155-R159 WeakPolarHBondContact O-CB 3.4Å; A155-R159 PolarHBondContact O-N 3.43Å; A155-R159 VanDerWaalsContact O-N 3.08Å; D156-R159 PolarHBondContact O-N 3.3Å; D156-R159 IonicContact OD1-CZ 3.31Å; D156-R159 VanDerWaalsContact OD1-CZ 3.31Å; D156-R159 IonicContact OD1-NH1 2.71Å; D156-R159 PolarHBondContact OD1-NH1 2.83Å; D156-R159 IonicContact OD1-NH2 3.03Å; D156-R159 PolarHBondContact OD1-NH2 3.34Å; V157-R159 VanDerWaalsContact C-N 3.3Å; V157-R159 PolarHBondContact O-N 2.54Å; R159-L162 PolarHBondContact O-N 3.03Å
160R91.1Very high86.8Confident68 Ų6841 Ų4126%0.25720%0.196SC..Hα-helixtrans-68-38.2179.8-76.8176.6-173-179.36.8111.8T138 D156 V157 L162 Q163 N166T138-R160 HydrophobicContact CG2-CB 4.16Å; D156-R160 WeakPolarHBondContact O-CB 3.27Å; D156-R160 VanDerWaalsContact O-CG 3.24Å; D156-R160 WeakPolarHBondContact O-CG 3.31Å; D156-R160 PolarHBondContact O-N 2.81Å; V157-R160 PolarHBondContact O-N 2.8Å; R160-L162 PolarHBondContact O-N 3.41Å; R160-Q163 WeakPolarHBondContact O-CB 3.27Å; R160-Q163 PolarHBondContact O-N 2.71Å; R160-N166 PolarHBondContact O-ND2 3.21Å
161L93.5Very high88.2Confident0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-57-31.2178.1-77.5177000113.2G136 T138 V157 Q163 N188 M243G136-L161 WeakPolarHBondContact O-CD2 3.31Å; T138-L161 HydrophobicContact CG2-CD2 3.71Å; T138-L161 HydrophobicContact CG2-CG 3.72Å; V157-L161 HydrophobicContact CG1-CD1 4.07Å; V157-L161 HydrophobicContact CG1-CG 4.43Å; V157-L161 WeakPolarHBondContact O-CG 3.17Å; V157-L161 PolarHBondContact O-N 3.4Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; L161-N188 HydrophobicContact CD1-CB 4.11Å; L161-N188 WeakPolarHBondContact CD1-OD1 3.31Å; L161-M243 HydrophobicContact CB-CB 4.14Å; L161-M243 HydrophobicContact CD1-CB 4.44Å; L161-M243 HydrophobicContact CD2-CB 4.1Å; L161-M243 HydrophobicContact CG-CB 4.44Å; L161-M243 WeakPolarHBondContact O-CE 3.34Å
162L91Very high89.5Confident17 Ų1723.5 Ų23.59%0.08913%0.127CC..THydrogen-bonded Turntrans-83.6-4.4177.8-58.8172.9000114.2R159 R160 V186 I206 L212 Y222 M243R159-L162 PolarHBondContact O-N 3.03Å; R160-L162 PolarHBondContact O-N 3.41Å; L162-V186 HydrophobicContact CD2-CG1 4.35Å; L162-I206 HydrophobicContact CD1-CD1 4.1Å; L162-I206 HydrophobicContact CD1-CG1 4.21Å; L162-I206 HydrophobicContact CD1-CG2 4.19Å; L162-L212 HydrophobicContact CB-CD2 4.41Å; L162-L212 HydrophobicContact CD1-CD1 3.9Å; L162-L212 HydrophobicContact CD1-CD2 4.27Å; L162-L212 HydrophobicContact CD1-CG 4.34Å; L162-L212 HydrophobicContact CD2-CD1 3.81Å; L162-L212 HydrophobicContact CD2-CD2 4.06Å; L162-L212 HydrophobicContact CG-CD1 4.45Å; L162-L212 HydrophobicContact CG-CD2 4.47Å; L162-Y222 HydrophobicContact CD1-CE2 3.92Å; L162-Y222 HydrophobicContact CD2-CE2 3.85Å; L162-Y222 HydrophobicContact CG-CE2 4.36Å; L162-M243 HydrophobicContact CD2-SD 3.84Å
163Q90.8Very high90.1Very high83 Ų8325.7 Ų25.739%0.38814%0.135SC..SBendtrans-81.2131.8178.4-66177.4-22.500110.1R160 L161 G165 N166R160-Q163 WeakPolarHBondContact O-CB 3.27Å; R160-Q163 PolarHBondContact O-N 2.71Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; Q163-G165 PolarHBondContact O-N 2.79Å; Q163-G165 VanDerWaalsContact O-N 3.07Å; Q163-N166 PolarHBondContact O-N 2.91Å
164P89.9Confident89.9Confident70 Ų7027.9 Ų27.946%0.45514%0.144SC..G310 helixtrans-51.8-36.5179.2-30.936.5000114.1N166 V167 F173P164-N166 PolarHBondContact O-N 3.34Å; P164-N166 VanDerWaalsContact O-N 3.12Å; P164-V167 PolarHBondContact O-N 3.17Å; P164-V167 VanDerWaalsContact O-N 3.12Å; P164-F173 HydrophobicContact CB-CB 4.47Å; P164-F173 HydrophobicContact CB-CD2 3.66Å; P164-F173 HydrophobicContact CB-CE2 4.18Å; P164-F173 HydrophobicContact CB-CG 4.22Å; P164-F173 HydrophobicContact CG-CB 4.39Å; P164-F173 HydrophobicContact CG-CD2 4.03Å; P164-F173 HydrophobicContact CG-CG 4.15Å
165G89.6Confident89Confident17 Ų1737.6 Ų37.618%0.17519%0.186CC..G310 helixtrans-68.8-5.2179.300000115.5Q163Q163-G165 PolarHBondContact O-N 2.79Å; Q163-G165 VanDerWaalsContact O-N 3.07Å
166N92.3Very high88.2Confident6 Ų639.3 Ų39.33%0.03219%0.193CC..G310 helixtrans-108-6.3173-62.1-45.8000113.1R81 G136 Y137 Y140 R160 Q163 P164R81-N166 PolarHBondContact NE-OD1 3.04Å; G136-N166 WeakPolarHBondContact CA-O 3.42Å; Y137-N166 PolarHBondContact N-O 3.47Å; Y140-N166 HydrophobicContact CE2-CB 4.2Å; Y140-N166 PolarHBondContact OH-O 2.7Å; R160-N166 PolarHBondContact O-ND2 3.21Å; Q163-N166 PolarHBondContact O-N 2.91Å; P164-N166 PolarHBondContact O-N 3.34Å; P164-N166 VanDerWaalsContact O-N 3.12Å
167V94.9Very high87.5Confident0 Ų047.6 Ų47.60%023%0.227CC..BIsolated β-bridgetrans-81.3135.4176.1-179.40000109.3I134 T135 P164 V169 I172 F173 M243I134-V167 HydrophobicContact CB-CG1 4.38Å; I134-V167 HydrophobicContact CD1-CG1 4.19Å; T135-V167 WeakPolarHBondContact O-CA 3.44Å; T135-V167 WeakPolarHBondContact O-CG1 3.41Å; P164-V167 PolarHBondContact O-N 3.17Å; P164-V167 VanDerWaalsContact O-N 3.12Å; V167-V169 HydrophobicContact CG1-CB 4.09Å; V167-V169 HydrophobicContact CG1-CG2 4.3Å; V167-V169 PolarHBondContact O-N 3.3Å; V167-V169 VanDerWaalsContact O-N 3.15Å; V167-I172 HydrophobicContact CG1-CD1 4.2Å; V167-F173 HydrophobicContact CB-CE2 3.86Å; V167-F173 HydrophobicContact CG1-CE2 3.97Å; V167-F173 HydrophobicContact CG1-CZ 4.44Å; V167-F173 HydrophobicContact CG2-CE2 3.7Å; V167-F173 HydrophobicContact CG2-CZ 3.96Å; V167-M243 HydrophobicContact CG2-CE 3.78Å
168M95Very high86.9Confident0 Ų055.9 Ų55.90%027%0.265CS..SBendtrans-83.424.5-177.3-60.4-176173.200112.6M69 D70 A73 L74 I77 A99 T135 Y140M69-M168 CarbonylContact C-O 3.48Å; M69-M168 VanDerWaalsContact CA-O 3.27Å; M69-M168 WeakPolarHBondContact CA-O 3.35Å; M69-M168 HydrophobicContact CB-CB 4.37Å; M69-M168 HydrophobicContact CE-SD 4.32Å; M69-M168 HydrophobicContact CG-CB 4.14Å; M69-M168 HydrophobicContact CG-SD 4.37Å; M69-M168 HydrophobicContact SD-SD 4.16Å; D70-M168 PolarHBondContact N-O 3.46Å; A73-M168 VanDerWaalsContact CB-C 3.44Å; L74-M168 HydrophobicContact CD2-CB 4.27Å; L74-M168 HydrophobicContact CD2-CG 4.14Å; L74-M168 HydrophobicContact CD2-SD 4.07Å; I77-M168 HydrophobicContact CD1-CG 4.03Å; A99-M168 HydrophobicContact CB-CE 3.81Å; A99-M168 HydrophobicContact CB-SD 3.75Å; T135-M168 HydrophobicContact CG2-CB 4.18Å; T135-M168 HydrophobicContact CG2-CG 4.39Å; T135-M168 HydrophobicContact CG2-SD 4.01Å; T135-M168 PolarHBondContact O-N 2.82Å; Y140-M168 HydrophobicContact CE1-CE 3.59Å; Y140-M168 VanDerWaalsContact OH-CE 3.22Å; Y140-M168 WeakPolarHBondContact OH-CE 3.23Å
169V93.9Very high86.6Confident2 Ų257.3 Ų57.31%0.01227%0.272CS..  trans-135.8132.9-179.7-170.50000108.3V68 I134 V167 I172 L253V68-V169 HydrophobicContact CB-CG2 4.38Å; V68-V169 HydrophobicContact CG1-CG1 4.3Å; V68-V169 HydrophobicContact CG1-CG2 3.97Å; V68-V169 VanDerWaalsContact O-CG2 3.27Å; V68-V169 WeakPolarHBondContact O-CG2 3.46Å; I134-V169 HydrophobicContact CB-CG2 4.1Å; I134-V169 HydrophobicContact CG2-CG2 4.01Å; V167-V169 HydrophobicContact CG1-CB 4.09Å; V167-V169 HydrophobicContact CG1-CG2 4.3Å; V167-V169 PolarHBondContact O-N 3.3Å; V167-V169 VanDerWaalsContact O-N 3.15Å; V169-I172 HydrophobicContact CB-CD1 4.17Å; V169-I172 HydrophobicContact CB-CG1 4.27Å; V169-I172 HydrophobicContact CG1-CB 4.49Å; V169-I172 HydrophobicContact CG1-CD1 4.34Å; V169-I172 HydrophobicContact CG1-CG1 4.14Å; V169-I172 HydrophobicContact CG1-CG2 3.54Å; V169-L253 HydrophobicContact CG1-CD1 3.72Å; V169-L253 HydrophobicContact CG1-CD2 4.27Å; V169-L253 HydrophobicContact CG1-CG 4.4Å
170S91.2Very high86.5Confident7 Ų756.3 Ų56.35%0.04928%0.282CS..SBendtrans-92.1154.8-179.568.40000111.5D70 I172D70-S170 PolarHBondContact OD1-N 3.47Å; D70-S170 WeakPolarHBondContact OD2-CA 3.33Å; D70-S170 WeakPolarHBondContact OD2-CB 3.3Å; D70-S170 PolarHBondContact OD2-N 2.9Å; D70-S170 PolarHBondContact OD2-OG 2.79Å; S170-I172 PolarHBondContact O-N 3.27Å
171D85.5Confident86.6Confident30 Ų3053.9 Ų53.916%0.1627%0.273CS..SBendtrans56.70.4171.3-57-31.8000119.2F173 N174 M252 K256D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 2.81Å; D171-N174 WeakPolarHBondContact CA-ND2 3.17Å; D171-N174 WeakPolarHBondContact CB-ND2 3.47Å; D171-N174 PolarHBondContact O-N 2.71Å; D171-N174 PolarHBondContact OD1-ND2 3.32Å; D171-M252 VanDerWaalsContact O-CE 3.3Å; D171-M252 WeakPolarHBondContact O-CE 3.43Å; D171-K256 VanDerWaalsContact CB-NZ 3.26Å; D171-K256 IonicContact OD2-NZ 2.76Å; D171-K256 PolarHBondContact OD2-NZ 2.97Å
172I88.7Confident86.6Confident0 Ų054 Ų540%027%0.274CS..THydrogen-bonded Turntrans-71-23176.854.1150.4000113.3I134 V167 V169 S170 Y247 G249 L253I134-I172 HydrophobicContact CB-CD1 4.42Å; I134-I172 HydrophobicContact CD1-CD1 3.55Å; I134-I172 HydrophobicContact CG2-CD1 3.98Å; V167-I172 HydrophobicContact CG1-CD1 4.2Å; V169-I172 HydrophobicContact CB-CD1 4.17Å; V169-I172 HydrophobicContact CB-CG1 4.27Å; V169-I172 HydrophobicContact CG1-CB 4.49Å; V169-I172 HydrophobicContact CG1-CD1 4.34Å; V169-I172 HydrophobicContact CG1-CG1 4.14Å; V169-I172 HydrophobicContact CG1-CG2 3.54Å; S170-I172 PolarHBondContact O-N 3.27Å; I172-Y247 HydrophobicContact CB-CD1 4.48Å; I172-Y247 HydrophobicContact CB-CE1 4.42Å; I172-Y247 HydrophobicContact CD1-CD1 3.92Å; I172-Y247 HydrophobicContact CD1-CE1 4.3Å; I172-Y247 WeakPolarHBondContact O-CE1 3.34Å; I172-G249 WeakPolarHBondContact CG2-O 3.22Å; I172-L253 HydrophobicContact CG2-CD1 4.41Å; I172-L253 HydrophobicContact CG2-CD2 4.36Å; I172-L253 HydrophobicContact CG2-CG 4.11Å
173F88.1Confident86.9Confident54 Ų5453.8 Ų53.824%0.23727%0.272CS..THydrogen-bonded Turntrans-98.71.8178.2-59.9-66.3000112.8I134 P164 V167 D171 Y183 Y247I134-F173 HydrophobicContact CD1-CZ 3.93Å; P164-F173 HydrophobicContact CB-CB 4.47Å; P164-F173 HydrophobicContact CB-CD2 3.66Å; P164-F173 HydrophobicContact CB-CE2 4.18Å; P164-F173 HydrophobicContact CB-CG 4.22Å; P164-F173 HydrophobicContact CG-CB 4.39Å; P164-F173 HydrophobicContact CG-CD2 4.03Å; P164-F173 HydrophobicContact CG-CG 4.15Å; V167-F173 HydrophobicContact CB-CE2 3.86Å; V167-F173 HydrophobicContact CG1-CE2 3.97Å; V167-F173 HydrophobicContact CG1-CZ 4.44Å; V167-F173 HydrophobicContact CG2-CE2 3.7Å; V167-F173 HydrophobicContact CG2-CZ 3.96Å; D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 2.81Å; F173-Y183 VanDerWaalsContact CE1-OH 3.26Å; F173-Y183 WeakPolarHBondContact CE1-OH 3.43Å; F173-Y247 AromaticContact CD1-CE1 3.71Å; F173-Y247 HydrophobicContact CD1-CE1 3.71Å; F173-Y247 AromaticContact CD1-CZ 3.87Å; F173-Y247 HydrophobicContact CE1-CD1 4.03Å; F173-Y247 AromaticContact CE1-CE1 3.64Å; F173-Y247 HydrophobicContact CE1-CE1 3.64Å; F173-Y247 HydrophobicContact CE1-CE2 4.43Å; F173-Y247 AromaticContact CE1-CZ 3.89Å
174N79Confident87.1Confident88 Ų8850.1 Ų50.147%0.47126%0.255SS..SBendtrans-65.7146.2174.7-70.9-13.7000108.6D171 D176 M252D171-N174 WeakPolarHBondContact CA-ND2 3.17Å; D171-N174 WeakPolarHBondContact CB-ND2 3.47Å; D171-N174 PolarHBondContact O-N 2.71Å; D171-N174 PolarHBondContact OD1-ND2 3.32Å; N174-D176 PolarHBondContact O-N 3.2Å; N174-M252 HydrophobicContact CB-CE 4.37Å
175K67.6Low87.4Confident204 Ų20446.9 Ų46.989%0.88723%0.234SC*.  trans-66.299176.8-71.3-175.7177.8-177.90108.9K177K175-K177 PolarHBondContact O-N 3.49Å
176D70.9Confident87.7Confident55 Ų5546.2 Ų46.229%0.29423%0.227SC..  trans-61.5127153.4-168.4-26.8000106.9N174 Q178 I179 H181N174-D176 PolarHBondContact O-N 3.2Å; D176-Q178 PolarHBondContact O-N 2.83Å; D176-Q178 PolarHBondContact OD1-N 3.42Å; D176-I179 HydrophobicContact CB-CB 4.43Å; D176-H181 IonicContact OD2-NE2 3.66Å
177K72.7Confident87.8Confident214 Ų21445.9 Ų45.993%0.9323%0.225SC*.SBendtrans-69.4-22.1-179.9-68.5-176.9179.9178.90111.7K175K175-K177 PolarHBondContact O-N 3.49Å
178Q77.6Confident87.8Confident177 Ų17745.9 Ų45.983%0.82723%0.225SC*.SBendtrans-104.3-30.4-170.7-61.3-175.5-300112.7D176D176-Q178 PolarHBondContact O-N 2.83Å; D176-Q178 PolarHBondContact OD1-N 3.42Å
179I85.1Confident87.6Confident30 Ų3045.9 Ų45.915%0.15423%0.225CC..  trans-123.3124.9-170.2-62.2153.4000110.7D176 H181 K301 T304D176-I179 HydrophobicContact CB-CB 4.43Å; I179-H181 PolarHBondContact O-N 2.93Å; I179-K301 HydrophobicContact CD1-CD 3.65Å; I179-K301 HydrophobicContact CD1-CG 3.72Å; I179-T304 HydrophobicContact CG2-CG2 4.05Å
180A88.5Confident87.5Confident61 Ų6145.8 Ų45.850%0.50423%0.225SC..  trans-83.389.7170.400000109.8
181H93.6Very high87.3Confident16 Ų1646.6 Ų46.67%0.07423%0.227CC..  trans-65.3138178.3-66.6-60.2000112.4D176 I179 Y247 T248 G249 S251D176-H181 IonicContact OD2-NE2 3.66Å; I179-H181 PolarHBondContact O-N 2.93Å; H181-Y247 HydrophobicContact CB-CE1 4.19Å; H181-Y247 HydrophobicContact CB-CE2 4.2Å; H181-Y247 VanDerWaalsContact CB-OH 3.28Å; H181-Y247 WeakPolarHBondContact CB-OH 3.41Å; H181-Y247 PolarHBondContact O-OH 2.73Å; H181-T248 WeakPolarHBondContact CA-OG1 3.39Å; H181-T248 PolarHBondContact ND1-O 3.32Å; H181-T248 PolarHBondContact ND1-OG1 3.37Å; H181-G249 PolarHBondContact ND1-N 3.43Å; H181-S251 PolarHBondContact CE1-OG 2.84Å; H181-S251 VanDerWaalsContact CE1-OG 3.24Å
182C93.8Very high87.1Confident2 Ų246.4 Ų46.41%0.01423%0.233CC..  trans-137.9160.2-171.560.20000111.7Q213 Y247 T248C182-Q213 CarbonylContact C-O 3.59Å; C182-Q213 WeakPolarHBondContact CA-O 3.48Å; C182-Q213 HydrophobicContact CB-CB 4.3Å; C182-Q213 HydrophobicContact CB-CG 3.93Å; C182-Q213 WeakPolarHBondContact CB-O 3.5Å; C182-Y247 VanDerWaalsContact C-CE2 3.49Å; C182-Y247 WeakPolarHBondContact O-CD2 3.44Å; C182-T248 PolarHBondContact N-OG1 3.45Å; C182-T248 PolarHBondContact O-N 3.02Å; C182-T248 PolarHBondContact O-OG1 3.48Å
183Y95.8Very high86.6Confident14 Ų1451 Ų516%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-81125.8175.6-71.5-87.4000110F173 V186 L212 Q213 F214 I215 A245 Y247F173-Y183 VanDerWaalsContact CE1-OH 3.26Å; F173-Y183 WeakPolarHBondContact CE1-OH 3.43Å; Y183-V186 HydrophobicContact CD1-CG2 3.54Å; Y183-V186 HydrophobicContact CE1-CG2 4.12Å; Y183-V186 HydrophobicContact CG-CG2 4.06Å; Y183-L212 HydrophobicContact CD2-CB 4.15Å; Y183-L212 HydrophobicContact CD2-CD2 4.12Å; Y183-L212 HydrophobicContact CE2-CB 4.47Å; Y183-L212 HydrophobicContact CE2-CD2 3.61Å; Y183-Q213 PolarHBondContact N-O 3.43Å; Y183-F214 CarbonylContact O-C 3.52Å; Y183-F214 WeakPolarHBondContact O-CA 3.19Å; Y183-F214 VanDerWaalsContact O-CD1 3.29Å; Y183-F214 WeakPolarHBondContact O-CD1 3.13Å; Y183-I215 PolarHBondContact O-N 3.37Å; Y183-A245 HydrophobicContact CD1-CB 4.06Å; Y183-A245 HydrophobicContact CE1-CB 4Å; Y183-Y247 AromaticContact CD1-CD2 3.73Å; Y183-Y247 HydrophobicContact CD1-CD2 3.73Å; Y183-Y247 HydrophobicContact CD1-CG 4.29Å; Y183-Y247 AromaticContact CD2-CD2 3.86Å; Y183-Y247 HydrophobicContact CD2-CD2 3.86Å; Y183-Y247 AromaticContact CD2-CE2 3.98Å; Y183-Y247 HydrophobicContact CD2-CE2 3.98Å; Y183-Y247 AromaticContact CE1-CD2 3.87Å; Y183-Y247 HydrophobicContact CE1-CD2 3.87Å; Y183-Y247 HydrophobicContact CE1-CG 4.22Å; Y183-Y247 AromaticContact CE2-CD2 3.97Å; Y183-Y247 HydrophobicContact CE2-CD2 3.97Å; Y183-Y247 AromaticContact CE2-CE2 3.93Å; Y183-Y247 HydrophobicContact CE2-CE2 3.93Å; Y183-Y247 AromaticContact CG-CD2 3.75Å; Y183-Y247 HydrophobicContact CG-CD2 3.75Å; Y183-Y247 HydrophobicContact CG-CE2 4.33Å; Y183-Y247 AromaticContact CZ-CD2 3.99Å
184I96.4Very high86.3Confident5 Ų549.6 Ų49.63%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-75.9-47.5166.7-69.5156.1000108.7P126 L130 I215 N246 T248 Y300P126-I184 HydrophobicContact CG-CG2 3.54Å; L130-I184 HydrophobicContact CB-CD1 4.46Å; L130-I184 HydrophobicContact CD1-CD1 4Å; I184-I215 HydrophobicContact CB-CD1 4.26Å; I184-I215 HydrophobicContact CB-CG2 4.28Å; I184-I215 HydrophobicContact CG1-CD1 4.36Å; I184-I215 HydrophobicContact CG1-CG2 3.54Å; I184-I215 HydrophobicContact CG2-CD1 3.99Å; I184-N246 HydrophobicContact CB-CB 3.88Å; I184-N246 WeakPolarHBondContact CB-O 3.2Å; I184-N246 HydrophobicContact CD1-CB 4.49Å; I184-N246 WeakPolarHBondContact CD1-OD1 3.47Å; I184-N246 HydrophobicContact CG2-CB 4.14Å; I184-N246 PolarHBondContact N-O 2.92Å; I184-T248 HydrophobicContact CD1-CG2 3.84Å; I184-T248 HydrophobicContact CG1-CG2 4.03Å; I184-Y300 HydrophobicContact CD1-CD1 4.32Å; I184-Y300 HydrophobicContact CD1-CE1 4.09Å
185S95.9Very high86.5Confident3 Ų348.9 Ų48.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-159.1153.7-176.762.70000111.4C123 L124 S221 A245 N246C123-S185 WeakPolarHBondContact O-CB 3.42Å; L124-S185 VanDerWaalsContact CA-OG 3.23Å; L124-S185 WeakPolarHBondContact CA-OG 3.15Å; L124-S185 PolarHBondContact O-OG 2.73Å; S185-S221 CarbonylContact C-O 3.54Å; S185-S221 WeakPolarHBondContact CA-O 3.49Å; S185-A245 CarbonylContact O-C 3.54Å; S185-A245 VanDerWaalsContact O-CA 3.26Å; S185-A245 WeakPolarHBondContact O-CA 3.35Å; S185-N246 PolarHBondContact N-O 3.41Å; S185-N246 PolarHBondContact O-N 3.46Å; S185-N246 WeakPolarHBondContact OG-CB 3.35Å
186V95.7Very high87.2Confident2 Ų243.3 Ų43.31%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-137.3129.2176.5-177.10000109.4L162 Y183 F214 S221 Y222 R223 M243 A245L162-V186 HydrophobicContact CD2-CG1 4.35Å; Y183-V186 HydrophobicContact CD1-CG2 3.54Å; Y183-V186 HydrophobicContact CE1-CG2 4.12Å; Y183-V186 HydrophobicContact CG-CG2 4.06Å; V186-F214 HydrophobicContact CG2-CE1 4.21Å; V186-F214 HydrophobicContact CG2-CZ 4.34Å; V186-S221 PolarHBondContact N-O 3.02Å; V186-Y222 HydrophobicContact CB-CD2 3.88Å; V186-Y222 HydrophobicContact CB-CE2 4.25Å; V186-Y222 HydrophobicContact CB-CG 4.38Å; V186-Y222 HydrophobicContact CG1-CD2 3.98Å; V186-Y222 HydrophobicContact CG1-CE2 3.83Å; V186-Y222 HydrophobicContact CG2-CD2 4.34Å; V186-Y222 WeakPolarHBondContact O-CA 3.18Å; V186-R223 PolarHBondContact O-N 3.11Å; V186-M243 HydrophobicContact CG1-CG 3.93Å; V186-M243 HydrophobicContact CG1-SD 4.03Å; V186-A245 HydrophobicContact CG1-CB 4.47Å; V186-A245 HydrophobicContact CG2-CB 4.06Å
187L94.3Very high88Confident0 Ų045.9 Ų45.90%025%0.254CS..EExtended strand (participates in β ladder)trans-124.8115.4172.9176.562.6000109.5M120 L124 L189 R223 L244M120-L187 HydrophobicContact CB-CD2 4.3Å; M120-L187 HydrophobicContact CE-CD2 4.16Å; M120-L187 HydrophobicContact CG-CD2 4.25Å; L124-L187 HydrophobicContact CD1-CB 4.14Å; L124-L187 HydrophobicContact CD1-CD2 3.81Å; L124-L187 HydrophobicContact CD2-CB 3.81Å; L124-L187 HydrophobicContact CG-CB 4.1Å; L124-L187 HydrophobicContact CG-CD2 4.41Å; L187-L189 HydrophobicContact CD1-CD2 4.25Å; L187-L189 HydrophobicContact CD2-CD2 3.86Å; L187-L189 HydrophobicContact CG-CD2 3.87Å; L187-L189 HydrophobicContact CG-CG 4.48Å; L187-R223 WeakPolarHBondContact CA-O 3.48Å; L187-R223 HydrophobicContact CD1-CB 3.95Å; L187-L244 PolarHBondContact N-O 2.95Å; L187-L244 PolarHBondContact O-N 3.05Å
188N93.6Very high88.7Confident0 Ų039.2 Ų39.20%023%0.227CC..EExtended strand (participates in β ladder)trans-95.5120.9169.9-72.5-21.5000110.8L161 I190 Y222 R223 V224 S225 L242 M243L161-N188 HydrophobicContact CD1-CB 4.11Å; L161-N188 WeakPolarHBondContact CD1-OD1 3.31Å; N188-I190 HydrophobicContact CB-CG1 4.24Å; N188-Y222 PolarHBondContact ND2-OH 3.17Å; N188-R223 PolarHBondContact N-O 3.15Å; N188-V224 HydrophobicContact CB-CG2 4.34Å; N188-V224 CarbonylContact O-C 3.5Å; N188-V224 WeakPolarHBondContact O-CA 3.5Å; N188-S225 PolarHBondContact O-N 3.47Å; N188-L242 CarbonylContact C-O 3.6Å; N188-L242 VanDerWaalsContact CA-O 3.3Å; N188-L242 WeakPolarHBondContact CA-O 3.47Å; N188-M243 WeakPolarHBondContact OD1-CB 3.38Å; N188-M243 WeakPolarHBondContact OD1-CG 3.41Å
189L92.3Very high89.2Confident0 Ų031.7 Ų31.70%019%0.192CC..EExtended strand (participates in β ladder)trans-93.4100170.4-52.9179.3000108.1P106 M120 L187 S225 G241 L242 L244P106-L189 HydrophobicContact CG-CD1 4.11Å; P106-L189 HydrophobicContact CG-CD2 4.02Å; M120-L189 HydrophobicContact CE-CD1 3.89Å; M120-L189 HydrophobicContact CE-CD2 4.15Å; L187-L189 HydrophobicContact CD1-CD2 4.25Å; L187-L189 HydrophobicContact CD2-CD2 3.86Å; L187-L189 HydrophobicContact CG-CD2 3.87Å; L187-L189 HydrophobicContact CG-CG 4.48Å; L189-S225 CarbonylContact C-O 3.57Å; L189-S225 WeakPolarHBondContact CA-O 3.29Å; L189-G241 CarbonylContact O-C 3.57Å; L189-G241 WeakPolarHBondContact O-CA 3.5Å; L189-L242 HydrophobicContact CB-CB 4.33Å; L189-L242 HydrophobicContact CD1-CD2 4.08Å; L189-L242 PolarHBondContact N-O 2.89Å; L189-L242 PolarHBondContact O-N 3.02Å; L189-L244 HydrophobicContact CD1-CD1 4.22Å
190I90.6Very high89.4Confident0 Ų035.7 Ų35.70%021%0.21CC..EExtended strand (participates in β ladder)trans-97.3139.6-178.8-55.5-178.2000109.1V154 M158 N188 V194 V224 S225 L226 S227 V239 S240V154-I190 HydrophobicContact CG1-CD1 3.95Å; M158-I190 HydrophobicContact CG-CD1 3.6Å; M158-I190 HydrophobicContact SD-CD1 4.12Å; N188-I190 HydrophobicContact CB-CG1 4.24Å; I190-V194 HydrophobicContact CG2-CG2 3.84Å; I190-V224 HydrophobicContact CD1-CG1 3.6Å; I190-V224 HydrophobicContact CG1-CG1 3.95Å; I190-S225 PolarHBondContact N-O 3.13Å; I190-L226 HydrophobicContact CB-CD2 4.14Å; I190-L226 HydrophobicContact CG2-CD2 4.44Å; I190-L226 WeakPolarHBondContact O-CA 3.13Å; I190-S227 PolarHBondContact O-N 3.15Å; I190-V239 HydrophobicContact CG2-CG1 3.57Å; I190-S240 CarbonylContact C-O 3.5Å
191Q87.5Confident89.4Confident23 Ų2336.9 Ų36.911%0.10721%0.208CC..EExtended strand (participates in β ladder)trans-129.7138-179.2-25.2-169.5-78.700111.3S227 K229 V239 S240Q191-S227 WeakPolarHBondContact CA-O 3.36Å; Q191-S227 VanDerWaalsContact CG-OG 3.29Å; Q191-S227 WeakPolarHBondContact CG-OG 3.43Å; Q191-S227 PolarHBondContact NE2-OG 3.48Å; Q191-K229 HydrophobicContact CB-CG 3.91Å; Q191-K229 WeakPolarHBondContact O-CE 3.41Å; Q191-V239 WeakPolarHBondContact O-CA 3.45Å; Q191-S240 PolarHBondContact N-O 3.32Å; Q191-S240 PolarHBondContact O-N 3.27Å
192G82.3Confident89.2Confident27 Ų2736.2 Ų36.228%0.27821%0.206SC..EExtended strand (participates in β ladder)trans129-169.8177.300000112.8V194 R238G192-V194 PolarHBondContact O-N 2.81Å; G192-V194 VanDerWaalsContact O-N 3.09Å; G192-R238 WeakPolarHBondContact CA-O 3.3Å
193S78.4Confident88.9Confident95 Ų9538.9 Ų38.966%0.66422%0.219SC*.SBendtrans-76.494.8175.3-54.70000109.3
194V80.5Confident88.7Confident25 Ų2541.8 Ų41.815%0.15224%0.235CC..  trans-118.6129.2-175.9174.10000109.6V154 I190 G192 I199 L226 V239V154-V194 HydrophobicContact CG1-CG1 4.28Å; V154-V194 HydrophobicContact CG2-CB 4.04Å; V154-V194 HydrophobicContact CG2-CG1 3.5Å; V154-V194 VanDerWaalsContact CG2-CG1 3.5Å; V154-V194 HydrophobicContact CG2-CG2 3.69Å; I190-V194 HydrophobicContact CG2-CG2 3.84Å; G192-V194 PolarHBondContact O-N 2.81Å; G192-V194 VanDerWaalsContact O-N 3.09Å; V194-I199 HydrophobicContact CG1-CD1 3.73Å; V194-I199 HydrophobicContact CG1-CG1 3.69Å; V194-L226 HydrophobicContact CB-CD2 3.89Å; V194-L226 HydrophobicContact CG1-CD2 3.76Å; V194-L226 HydrophobicContact CG2-CD2 4.2Å; V194-V239 HydrophobicContact CG2-CG1 4.06Å; V194-V239 HydrophobicContact CG2-CG2 4.34Å
195D83.4Confident88.3Confident74 Ų7447.7 Ų47.740%0.39626%0.257SS..  trans-80.1126.2165.9-175.8-11.6000109.1L197 E198D195-L197 PolarHBondContact O-N 3.13Å; D195-L197 VanDerWaalsContact O-N 3.16Å; D195-L197 PolarHBondContact OD1-N 3.02Å; D195-E198 HydrophobicContact CB-CG 4.14Å; D195-E198 WeakPolarHBondContact O-CB 3.17Å; D195-E198 PolarHBondContact O-N 2.88Å; D195-E198 VanDerWaalsContact O-N 3.1Å
196P83.4Confident87.9Confident86 Ų8648.4 Ų48.456%0.55826%0.26SS*.Hα-helixtrans-51-31.8172.8-28.236000114.6I199 Q200P196-I199 WeakPolarHBondContact O-CB 3.34Å; P196-I199 PolarHBondContact O-N 3.39Å; P196-Q200 PolarHBondContact O-N 2.7Å
197L87.7Confident87.4Confident109 Ų10956.7 Ų56.757%0.57130%0.296SS*.Hα-helixtrans-65.7-38.5178.2-65.1174.6000112.1D195 I199 Q200 D201D195-L197 PolarHBondContact O-N 3.13Å; D195-L197 VanDerWaalsContact O-N 3.16Å; D195-L197 PolarHBondContact OD1-N 3.02Å; L197-I199 PolarHBondContact O-N 2.94Å; L197-Q200 PolarHBondContact O-N 3.2Å; L197-D201 PolarHBondContact O-N 3.43Å
198E87.2Confident87.1Confident75 Ų7563.3 Ų63.335%0.3533%0.327SS..Hα-helixtrans-62.3-30.2176.2-71.2-175.9-162.800112.2V154 D195 G202V154-E198 HydrophobicContact CB-CB 4.16Å; V154-E198 HydrophobicContact CG2-CB 4.29Å; V154-E198 VanDerWaalsContact CG2-OE2 3.25Å; V154-E198 WeakPolarHBondContact CG2-OE2 3.43Å; D195-E198 HydrophobicContact CB-CG 4.14Å; D195-E198 WeakPolarHBondContact O-CB 3.17Å; D195-E198 PolarHBondContact O-N 2.88Å; D195-E198 VanDerWaalsContact O-N 3.1Å; E198-G202 PolarHBondContact O-N 2.99Å
199I87.8Confident86.6Confident18 Ų1870.3 Ų70.39%0.09235%0.354CS..Hα-helixtrans-70.4-45.9176.7-56.9171.4000110.1V154 V194 P196 L197 D201 G202 L203 V224 L226V154-I199 HydrophobicContact CG1-CG1 3.92Å; V194-I199 HydrophobicContact CG1-CD1 3.73Å; V194-I199 HydrophobicContact CG1-CG1 3.69Å; P196-I199 WeakPolarHBondContact O-CB 3.34Å; P196-I199 PolarHBondContact O-N 3.39Å; L197-I199 PolarHBondContact O-N 2.94Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 3.33Å; I199-G202 CarbonylContact O-C 3.54Å; I199-G202 WeakPolarHBondContact O-CA 3.33Å; I199-G202 PolarHBondContact O-N 3.25Å; I199-G202 VanDerWaalsContact O-N 3.14Å; I199-L203 HydrophobicContact CG2-CD1 4.12Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CG 3.49Å; I199-L203 PolarHBondContact O-N 3.31Å; I199-V224 HydrophobicContact CD1-CG1 4.24Å; I199-V224 HydrophobicContact CG2-CB 3.76Å; I199-V224 HydrophobicContact CG2-CG1 3.76Å; I199-V224 HydrophobicContact CG2-CG2 3.85Å; I199-L226 HydrophobicContact CD1-CD1 3.7Å; I199-L226 HydrophobicContact CD1-CD2 3.61Å; I199-L226 HydrophobicContact CD1-CG 3.72Å
200Q88.6Confident86Confident115 Ų11579 Ų7954%0.53739%0.391SS..Hα-helixtrans-59.7-46.3179.4-176.4175.6-9.100110.6P196 L197 G202 L203 I204P196-Q200 PolarHBondContact O-N 2.7Å; L197-Q200 PolarHBondContact O-N 3.2Å; Q200-G202 VanDerWaalsContact C-N 3.32Å; Q200-G202 PolarHBondContact O-N 2.98Å; Q200-L203 PolarHBondContact O-N 2.88Å; Q200-I204 HydrophobicContact CG-CD1 4.13Å; Q200-I204 WeakPolarHBondContact O-CG1 3.37Å; Q200-I204 PolarHBondContact O-N 3.38Å
201D89.7Confident85.4Confident85 Ų8583.5 Ų83.546%0.45541%0.413SS..Hα-helixtrans-60.9-41.4174.4-73.9-10.1000112.1L197 I199 I204 R205L197-D201 PolarHBondContact O-N 3.43Å; I199-D201 VanDerWaalsContact C-N 3.33Å; I199-D201 PolarHBondContact O-N 3.33Å; D201-I204 PolarHBondContact O-N 2.97Å; D201-R205 WeakPolarHBondContact O-CB 3.29Å; D201-R205 VanDerWaalsContact O-CG 3.25Å; D201-R205 WeakPolarHBondContact O-CG 3.23Å; D201-R205 PolarHBondContact O-N 3.25Å
202G87.5Confident85.4Confident3 Ų383.5 Ų83.53%0.03141%0.414CS..Hα-helixtrans-59.9-43.6175.100000112.8E198 I199 Q200 R205 I206E198-G202 PolarHBondContact O-N 2.99Å; I199-G202 CarbonylContact O-C 3.54Å; I199-G202 WeakPolarHBondContact O-CA 3.33Å; I199-G202 PolarHBondContact O-N 3.25Å; I199-G202 VanDerWaalsContact O-N 3.14Å; Q200-G202 VanDerWaalsContact C-N 3.32Å; Q200-G202 PolarHBondContact O-N 2.98Å; G202-R205 PolarHBondContact O-N 2.79Å; G202-I206 WeakPolarHBondContact O-CD1 3.26Å; G202-I206 WeakPolarHBondContact O-CG1 3.4Å; G202-I206 PolarHBondContact O-N 3.06Å; G202-I206 VanDerWaalsContact O-N 3.07Å
203L89.4Confident85.8Confident58 Ų5887.7 Ų87.730%0.30443%0.427SS..Hα-helixtrans-65.1-46177.9-73.7173.5000112M158 I199 Q200 R205 I206 K207 Y222 V224M158-L203 HydrophobicContact CE-CD2 3.8Å; M158-L203 HydrophobicContact CE-CG 3.95Å; I199-L203 HydrophobicContact CG2-CD1 4.12Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CG 3.49Å; I199-L203 PolarHBondContact O-N 3.31Å; Q200-L203 PolarHBondContact O-N 2.88Å; L203-R205 VanDerWaalsContact C-N 3.33Å; L203-R205 PolarHBondContact O-N 2.95Å; L203-I206 PolarHBondContact O-N 2.83Å; L203-K207 WeakPolarHBondContact O-CB 3.49Å; L203-K207 PolarHBondContact O-N 2.96Å; L203-Y222 HydrophobicContact CD2-CD1 3.28Å; L203-Y222 HydrophobicContact CD2-CE1 3.56Å; L203-Y222 HydrophobicContact CD2-CG 4.35Å; L203-V224 HydrophobicContact CD2-CG2 3.97Å; L203-V224 HydrophobicContact CG-CG2 4.41Å
204I89.7Confident86.6Confident74 Ų7485.1 Ų85.138%0.37940%0.403SS..Hα-helixtrans-57.5-49.2176.9-68.3166000109.7Q200 D201 I206 K207 E208Q200-I204 HydrophobicContact CG-CD1 4.13Å; Q200-I204 WeakPolarHBondContact O-CG1 3.37Å; Q200-I204 PolarHBondContact O-N 3.38Å; D201-I204 PolarHBondContact O-N 2.97Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.35Å; I204-K207 WeakPolarHBondContact O-CB 3.48Å; I204-K207 PolarHBondContact O-N 3.4Å; I204-K207 VanDerWaalsContact O-N 3.15Å; I204-E208 HydrophobicContact CG2-CG 4.25Å; I204-E208 WeakPolarHBondContact CG2-OE1 3.43Å; I204-E208 WeakPolarHBondContact O-CG 3.37Å; I204-E208 PolarHBondContact O-N 2.87Å
205R88Confident87.2Confident130 Ų13084.3 Ų84.349%0.49140%0.398SS..Hα-helixtrans-61-37.5179.1-72173.3-175-169.34.2113.4D201 G202 L203 R209D201-R205 WeakPolarHBondContact O-CB 3.29Å; D201-R205 VanDerWaalsContact O-CG 3.25Å; D201-R205 WeakPolarHBondContact O-CG 3.23Å; D201-R205 PolarHBondContact O-N 3.25Å; G202-R205 PolarHBondContact O-N 2.79Å; L203-R205 VanDerWaalsContact C-N 3.33Å; L203-R205 PolarHBondContact O-N 2.95Å; R205-R209 VanDerWaalsContact O-CG 3.23Å; R205-R209 WeakPolarHBondContact O-CG 3.22Å; R205-R209 PolarHBondContact O-N 2.65Å
206I87.8Confident87.7Confident18 Ų1883.7 Ų83.79%0.09240%0.398CS..Hα-helixtrans-68.7-41.6177-76.3158.6000110.7M158 L162 G202 L203 I204 L212 Y222M158-I206 HydrophobicContact CB-CD1 3.96Å; M158-I206 HydrophobicContact CE-CD1 3.82Å; L162-I206 HydrophobicContact CD1-CD1 4.1Å; L162-I206 HydrophobicContact CD1-CG1 4.21Å; L162-I206 HydrophobicContact CD1-CG2 4.19Å; G202-I206 WeakPolarHBondContact O-CD1 3.26Å; G202-I206 WeakPolarHBondContact O-CG1 3.4Å; G202-I206 PolarHBondContact O-N 3.06Å; G202-I206 VanDerWaalsContact O-N 3.07Å; L203-I206 PolarHBondContact O-N 2.83Å; I204-I206 VanDerWaalsContact C-N 3.33Å; I204-I206 PolarHBondContact O-N 3.35Å; I206-L212 HydrophobicContact CG2-CD1 4.33Å; I206-Y222 HydrophobicContact CD1-CE1 4.29Å; I206-Y222 HydrophobicContact CD1-CE2 4.37Å; I206-Y222 VanDerWaalsContact CD1-OH 3.26Å; I206-Y222 WeakPolarHBondContact CD1-OH 3.44Å; I206-Y222 HydrophobicContact CG2-CD2 4.28Å; I206-Y222 HydrophobicContact CG2-CE2 4.02Å
207K86.7Confident88.1Confident175 Ų17581.6 Ų81.676%0.76138%0.379SS*.Hα-helixtrans-64-45.6177.7-170.6179.1-179.5-179.30111.8L203 I204 R209 K210L203-K207 WeakPolarHBondContact O-CB 3.49Å; L203-K207 PolarHBondContact O-N 2.96Å; I204-K207 WeakPolarHBondContact O-CB 3.48Å; I204-K207 PolarHBondContact O-N 3.4Å; I204-K207 VanDerWaalsContact O-N 3.15Å; K207-R209 VanDerWaalsContact C-N 3.35Å; K207-R209 PolarHBondContact O-N 3.36Å; K207-K210 PolarHBondContact O-N 3.19Å
208E86.3Confident88.2Confident140 Ų14078 Ų7865%0.65437%0.365SS*.Hα-helixtrans-62.2-39.9179.8-75.3175.1167.900112.8I204 K210I204-E208 HydrophobicContact CG2-CG 4.25Å; I204-E208 WeakPolarHBondContact CG2-OE1 3.43Å; I204-E208 WeakPolarHBondContact O-CG 3.37Å; I204-E208 PolarHBondContact O-N 2.87Å; E208-K210 PolarHBondContact O-N 3.37Å
209R83.9Confident88.4Confident147 Ų14780 Ų8056%0.55539%0.385SS*.THydrogen-bonded Turntrans-73.1-12.7-178.3-69.1176.1177.3-154-3.8113.9R205 K207 M211R205-R209 VanDerWaalsContact O-CG 3.23Å; R205-R209 WeakPolarHBondContact O-CG 3.22Å; R205-R209 PolarHBondContact O-N 2.65Å; K207-R209 VanDerWaalsContact C-N 3.35Å; K207-R209 PolarHBondContact O-N 3.36Å; R209-M211 HydrophobicContact CB-CE 4.32Å; R209-M211 HydrophobicContact CB-CG 3.61Å; R209-M211 HydrophobicContact CB-SD 4.11Å; R209-M211 PolarHBondContact O-N 3.21Å
210K79.9Confident88.4Confident182 Ų18282.3 Ų82.379%0.79141%0.407SS*.THydrogen-bonded Turntrans44.836.2-177.8-62.5-176178-178.30113.5K207 E208 L212K207-K210 PolarHBondContact O-N 3.19Å; E208-K210 PolarHBondContact O-N 3.37Å; K210-L212 PolarHBondContact O-N 3Å
211M78.1Confident88.5Confident94 Ų9477.9 Ų77.946%0.46339%0.389SS..  trans-71.9-17.6-175.5-62.3-176.1-60.600112.9R209R209-M211 HydrophobicContact CB-CE 4.32Å; R209-M211 HydrophobicContact CB-CG 3.61Å; R209-M211 HydrophobicContact CB-SD 4.11Å; R209-M211 PolarHBondContact O-N 3.21Å
212L87.1Confident88.7Confident24 Ų2475.5 Ų75.513%0.12637%0.373CS..SBendtrans-113.3125.7-175.7-54.3178000108.8L162 Y183 I206 K210 F214 Y222L162-L212 HydrophobicContact CB-CD2 4.41Å; L162-L212 HydrophobicContact CD1-CD1 3.9Å; L162-L212 HydrophobicContact CD1-CD2 4.27Å; L162-L212 HydrophobicContact CD1-CG 4.34Å; L162-L212 HydrophobicContact CD2-CD1 3.81Å; L162-L212 HydrophobicContact CD2-CD2 4.06Å; L162-L212 HydrophobicContact CG-CD1 4.45Å; L162-L212 HydrophobicContact CG-CD2 4.47Å; Y183-L212 HydrophobicContact CD2-CB 4.15Å; Y183-L212 HydrophobicContact CD2-CD2 4.12Å; Y183-L212 HydrophobicContact CE2-CB 4.47Å; Y183-L212 HydrophobicContact CE2-CD2 3.61Å; I206-L212 HydrophobicContact CG2-CD1 4.33Å; K210-L212 PolarHBondContact O-N 3Å; L212-F214 HydrophobicContact CB-CD2 4.12Å; L212-F214 HydrophobicContact CB-CE2 3.6Å; L212-F214 HydrophobicContact CB-CZ 4.25Å; L212-F214 HydrophobicContact CD1-CE2 3.99Å; L212-F214 HydrophobicContact CD1-CZ 3.95Å; L212-F214 HydrophobicContact CG-CE2 4.46Å; L212-Y222 HydrophobicContact CD1-CD2 3.83Å; L212-Y222 HydrophobicContact CD1-CE2 3.82Å
213Q91.5Very high88.9Confident115 Ų11581 Ų8154%0.53739%0.393SS..PPolyproline II helixtrans-83.9121.2166.6-173.4172.21.700108C182 Y183C182-Q213 CarbonylContact C-O 3.59Å; C182-Q213 WeakPolarHBondContact CA-O 3.48Å; C182-Q213 HydrophobicContact CB-CB 4.3Å; C182-Q213 HydrophobicContact CB-CG 3.93Å; C182-Q213 WeakPolarHBondContact CB-O 3.5Å; Y183-Q213 PolarHBondContact N-O 3.43Å
214F94.2Very high88.9Confident40 Ų4079.5 Ų79.518%0.17539%0.386CS..BIsolated β-bridgetrans-98.9163.8174.3-75.7-91.2000111Y183 V186 L212 A220 S221 Y222Y183-F214 CarbonylContact O-C 3.52Å; Y183-F214 WeakPolarHBondContact O-CA 3.19Å; Y183-F214 VanDerWaalsContact O-CD1 3.29Å; Y183-F214 WeakPolarHBondContact O-CD1 3.13Å; V186-F214 HydrophobicContact CG2-CE1 4.21Å; V186-F214 HydrophobicContact CG2-CZ 4.34Å; L212-F214 HydrophobicContact CB-CD2 4.12Å; L212-F214 HydrophobicContact CB-CE2 3.6Å; L212-F214 HydrophobicContact CB-CZ 4.25Å; L212-F214 HydrophobicContact CD1-CE2 3.99Å; L212-F214 HydrophobicContact CD1-CZ 3.95Å; L212-F214 HydrophobicContact CG-CE2 4.46Å; F214-A220 HydrophobicContact CB-CB 4.04Å; F214-A220 HydrophobicContact CD1-CB 4.04Å; F214-A220 HydrophobicContact CD2-CB 3.58Å; F214-A220 HydrophobicContact CE1-CB 4.41Å; F214-A220 HydrophobicContact CE2-CB 3.97Å; F214-A220 HydrophobicContact CG-CB 3.61Å; F214-A220 HydrophobicContact CZ-CB 4.38Å; F214-S221 WeakPolarHBondContact CE1-O 3.24Å; F214-Y222 HydrophobicContact CZ-CD2 4.24Å
215I94Very high88.9Confident8 Ų876 Ų764%0.04137%0.369CS..PPolyproline II helixtrans-53.7144168.150.6172.6000111.4Y183 I184 W217 A218 A303Y183-I215 PolarHBondContact O-N 3.37Å; I184-I215 HydrophobicContact CB-CD1 4.26Å; I184-I215 HydrophobicContact CB-CG2 4.28Å; I184-I215 HydrophobicContact CG1-CD1 4.36Å; I184-I215 HydrophobicContact CG1-CG2 3.54Å; I184-I215 HydrophobicContact CG2-CD1 3.99Å; I215-W217 HydrophobicContact CB-CD2 4.47Å; I215-W217 HydrophobicContact CB-CZ2 4.22Å; I215-W217 HydrophobicContact CD1-CD2 3.98Å; I215-W217 HydrophobicContact CD1-CE3 3.98Å; I215-W217 HydrophobicContact CD1-CH2 3.35Å; I215-W217 HydrophobicContact CD1-CZ2 3.32Å; I215-W217 HydrophobicContact CD1-CZ3 3.68Å; I215-W217 HydrophobicContact CG1-CZ2 4.35Å; I215-W217 HydrophobicContact CG2-CZ2 4.13Å; I215-A218 HydrophobicContact CD1-CB 3.77Å; I215-A218 HydrophobicContact CG1-CB 4.35Å; I215-A303 WeakPolarHBondContact CG2-O 3.38Å
216P92.4Very high88.8Confident62 Ų6272.1 Ų72.140%0.40336%0.357SS..SBendtrans-88.1-20.5-172.435.5-38.6000113.9E306P216-E306 HydrophobicContact CB-CG 3.5Å; P216-E306 VanDerWaalsContact CB-CG 3.5Å; P216-E306 HydrophobicContact CG-CB 4.3Å; P216-E306 HydrophobicContact CG-CG 3.53Å
217W92.2Very high88.7Confident41 Ų4171.5 Ų71.516%0.15536%0.355CS..SBendtrans-88.5-2.4-176.249.7-98000114.1P126 I215 A303 K305 Y308 L309P126-W217 HydrophobicContact CB-CH2 4.16Å; P126-W217 HydrophobicContact CB-CZ3 4.45Å; P126-W217 HydrophobicContact CG-CH2 3.82Å; I215-W217 HydrophobicContact CB-CD2 4.47Å; I215-W217 HydrophobicContact CB-CZ2 4.22Å; I215-W217 HydrophobicContact CD1-CD2 3.98Å; I215-W217 HydrophobicContact CD1-CE3 3.98Å; I215-W217 HydrophobicContact CD1-CH2 3.35Å; I215-W217 HydrophobicContact CD1-CZ2 3.32Å; I215-W217 HydrophobicContact CD1-CZ3 3.68Å; I215-W217 HydrophobicContact CG1-CZ2 4.35Å; I215-W217 HydrophobicContact CG2-CZ2 4.13Å; W217-A303 HydrophobicContact CZ2-CB 4.45Å; W217-A303 PolarHBondContact NE1-O 3.03Å; W217-K305 VanDerWaalsContact CD1-O 3.25Å; W217-Y308 AromaticContact CD2-CD1 3.92Å; W217-Y308 HydrophobicContact CD2-CD1 3.92Å; W217-Y308 AromaticContact CE2-CD1 3.42Å; W217-Y308 VanDerWaalsContact CE2-CD1 3.42Å; W217-Y308 HydrophobicContact CE3-CD1 4.48Å; W217-Y308 HydrophobicContact CG-CD1 4.37Å; W217-Y308 HydrophobicContact CH2-CD1 4.17Å; W217-Y308 HydrophobicContact CH2-CE1 4.06Å; W217-Y308 AromaticContact CZ2-CD1 3.56Å; W217-Y308 HydrophobicContact CZ2-CD1 3.56Å; W217-Y308 AromaticContact CZ2-CE1 3.72Å; W217-Y308 HydrophobicContact CZ2-CE1 3.72Å; W217-Y308 AromaticContact NE1-CD1 3.62Å; W217-Y308 AromaticContact NE1-CG 3.95Å; W217-L309 HydrophobicContact CB-CD1 4.03Å; W217-L309 HydrophobicContact CB-CG 4.07Å; W217-L309 HydrophobicContact CD2-CG 4.2Å; W217-L309 HydrophobicContact CE3-CD1 3.96Å; W217-L309 HydrophobicContact CE3-CD2 3.98Å; W217-L309 HydrophobicContact CE3-CG 3.93Å; W217-L309 HydrophobicContact CG-CG 4.28Å; W217-L309 HydrophobicContact CZ3-CD2 4.3Å
218A90.8Very high88.4Confident33 Ų3370.4 Ų70.427%0.27335%0.346SS..SBendtrans-140157.1174.600000111.6I215I215-A218 HydrophobicContact CD1-CB 3.77Å; I215-A218 HydrophobicContact CG1-CB 4.35Å
219P90Very high88Confident117 Ų11766.2 Ų66.276%0.7633%0.325SS*.  trans-59.8142.9173.3-21.933.2000111.9S221P219-S221 PolarHBondContact O-N 3.16Å
220A89.3Confident87.8Confident67 Ų6760.6 Ų60.655%0.55431%0.309SS*.  trans-54.6110176.300000111.5F214 Y222F214-A220 HydrophobicContact CB-CB 4.04Å; F214-A220 HydrophobicContact CD1-CB 4.04Å; F214-A220 HydrophobicContact CD2-CB 3.58Å; F214-A220 HydrophobicContact CE1-CB 4.41Å; F214-A220 HydrophobicContact CE2-CB 3.97Å; F214-A220 HydrophobicContact CG-CB 3.61Å; F214-A220 HydrophobicContact CZ-CB 4.38Å; A220-Y222 PolarHBondContact O-N 2.97Å
221S91Very high87.6Confident23 Ų2357.1 Ų57.116%0.16131%0.305CS..EExtended strand (participates in β ladder)trans-93.595.7-179.3-1740000110.2S185 V186 F214 P219S185-S221 CarbonylContact C-O 3.54Å; S185-S221 WeakPolarHBondContact CA-O 3.49Å; V186-S221 PolarHBondContact N-O 3.02Å; F214-S221 WeakPolarHBondContact CE1-O 3.24Å; P219-S221 PolarHBondContact O-N 3.16Å
222Y92.6Very high87.6Confident35 Ų3559.9 Ų59.914%0.13732%0.321CS..EExtended strand (participates in β ladder)trans-121.3114170.8-166.2-69.2000109.3M158 L162 V186 N188 L203 I206 L212 F214 A220 V224M158-Y222 HydrophobicContact CE-CE1 3.9Å; L162-Y222 HydrophobicContact CD1-CE2 3.92Å; L162-Y222 HydrophobicContact CD2-CE2 3.85Å; L162-Y222 HydrophobicContact CG-CE2 4.36Å; V186-Y222 HydrophobicContact CB-CD2 3.88Å; V186-Y222 HydrophobicContact CB-CE2 4.25Å; V186-Y222 HydrophobicContact CB-CG 4.38Å; V186-Y222 HydrophobicContact CG1-CD2 3.98Å; V186-Y222 HydrophobicContact CG1-CE2 3.83Å; V186-Y222 HydrophobicContact CG2-CD2 4.34Å; V186-Y222 WeakPolarHBondContact O-CA 3.18Å; N188-Y222 PolarHBondContact ND2-OH 3.17Å; L203-Y222 HydrophobicContact CD2-CD1 3.28Å; L203-Y222 HydrophobicContact CD2-CE1 3.56Å; L203-Y222 HydrophobicContact CD2-CG 4.35Å; I206-Y222 HydrophobicContact CD1-CE1 4.29Å; I206-Y222 HydrophobicContact CD1-CE2 4.37Å; I206-Y222 VanDerWaalsContact CD1-OH 3.26Å; I206-Y222 WeakPolarHBondContact CD1-OH 3.44Å; I206-Y222 HydrophobicContact CG2-CD2 4.28Å; I206-Y222 HydrophobicContact CG2-CE2 4.02Å; L212-Y222 HydrophobicContact CD1-CD2 3.83Å; L212-Y222 HydrophobicContact CD1-CE2 3.82Å; F214-Y222 HydrophobicContact CZ-CD2 4.24Å; A220-Y222 PolarHBondContact O-N 2.97Å; Y222-V224 HydrophobicContact CE1-CG2 4.11Å
223R91.2Very high86.8Confident117 Ų11764.6 Ų64.644%0.44235%0.345SS..EExtended strand (participates in β ladder)trans-123.8153.8-176.1-61.2-170.5-174.5-172.50.6111.5V186 L187 N188V186-R223 PolarHBondContact O-N 3.11Å; L187-R223 WeakPolarHBondContact CA-O 3.48Å; L187-R223 HydrophobicContact CD1-CB 3.95Å; N188-R223 PolarHBondContact N-O 3.15Å
224V90.3Very high85.6Confident27 Ų2764.2 Ų64.216%0.16435%0.353CS..EExtended strand (participates in β ladder)trans-127.1130.4174.4-179.20000107.7M158 N188 I190 I199 L203 Y222M158-V224 HydrophobicContact CE-CG2 3.7Å; M158-V224 HydrophobicContact SD-CG2 4.49Å; N188-V224 HydrophobicContact CB-CG2 4.34Å; N188-V224 CarbonylContact O-C 3.5Å; N188-V224 WeakPolarHBondContact O-CA 3.5Å; I190-V224 HydrophobicContact CD1-CG1 3.6Å; I190-V224 HydrophobicContact CG1-CG1 3.95Å; I199-V224 HydrophobicContact CD1-CG1 4.24Å; I199-V224 HydrophobicContact CG2-CB 3.76Å; I199-V224 HydrophobicContact CG2-CG1 3.76Å; I199-V224 HydrophobicContact CG2-CG2 3.85Å; L203-V224 HydrophobicContact CD2-CG2 3.97Å; L203-V224 HydrophobicContact CG-CG2 4.41Å; Y222-V224 HydrophobicContact CE1-CG2 4.11Å
225S88.8Confident84Confident1 Ų166 Ų661%0.00737%0.371CS..EExtended strand (participates in β ladder)trans-116138.8169-176.30000109.4V113 N188 L189 I190V113-S225 PolarHBondContact O-OG 3.31Å; N188-S225 PolarHBondContact O-N 3.47Å; L189-S225 CarbonylContact C-O 3.57Å; L189-S225 WeakPolarHBondContact CA-O 3.29Å; I190-S225 PolarHBondContact N-O 3.13Å
226L87.4Confident82.6Confident48 Ų4869.6 Ų69.625%0.25139%0.388SS..EExtended strand (participates in β ladder)trans-97.8124.5175.9-69.5178.6000109.3S111 I190 V194 I199S111-L226 WeakPolarHBondContact CB-O 3.4Å; S111-L226 PolarHBondContact OG-O 2.69Å; I190-L226 HydrophobicContact CB-CD2 4.14Å; I190-L226 HydrophobicContact CG2-CD2 4.44Å; I190-L226 WeakPolarHBondContact O-CA 3.13Å; V194-L226 HydrophobicContact CB-CD2 3.89Å; V194-L226 HydrophobicContact CG1-CD2 3.76Å; V194-L226 HydrophobicContact CG2-CD2 4.2Å; I199-L226 HydrophobicContact CD1-CD1 3.7Å; I199-L226 HydrophobicContact CD1-CD2 3.61Å; I199-L226 HydrophobicContact CD1-CG 3.72Å
227S84.1Confident81.5Confident6 Ų667.3 Ų67.34%0.04237%0.372CS..EExtended strand (participates in β ladder)trans-115.8147.1170.760.50000110.8I190 Q191I190-S227 PolarHBondContact O-N 3.15Å; Q191-S227 WeakPolarHBondContact CA-O 3.36Å; Q191-S227 VanDerWaalsContact CG-OG 3.29Å; Q191-S227 WeakPolarHBondContact CG-OG 3.43Å; Q191-S227 PolarHBondContact NE2-OG 3.48Å
228R80.6Confident80.7Confident152 Ų15273 Ų7357%0.57439%0.394SS*.PPolyproline II helixtrans-74.2146173.2-62.5178.7-178.3176.41.7108.9F109F109-R228 HydrophobicContact CB-CB 4.13Å
229K77.9Confident80.4Confident51 Ų5171.6 Ų71.622%0.22238%0.382CS..PPolyproline II helixtrans-70.7153.1169-74.4-179.8172.51670109.8Q191 S235 N237 R238Q191-K229 HydrophobicContact CB-CG 3.91Å; Q191-K229 WeakPolarHBondContact O-CE 3.41Å; K229-S235 PolarHBondContact NZ-OG 3.23Å; K229-S235 VanDerWaalsContact NZ-OG 3.09Å; K229-N237 PolarHBondContact NZ-O 3.07Å; K229-R238 PolarHBondContact NZ-O 3.18Å
230S80.7Confident80.3Confident29 Ų2966.2 Ų66.220%0.20335%0.347CS..PPolyproline II helixtrans-58.3128171.1-179.40000109.4L232S230-L232 PolarHBondContact O-N 3.25Å; S230-L232 PolarHBondContact OG-N 2.92Å
231P75.8Confident80.4Confident110 Ų11063 Ų6371%0.71432%0.32SS*.THydrogen-bonded Turntrans-70.2-14.6175.229.4-34.1000112.5
232L76.8Confident80.6Confident152 Ų15261.9 Ų61.980%0.79631%0.313SS*.THydrogen-bonded Turntrans-88.4-14.1-174.5-56.2178000113.7S230S230-L232 PolarHBondContact O-N 3.25Å; S230-L232 PolarHBondContact OG-N 2.92Å
233L71.8Confident80.7Confident122 Ų12260.2 Ų60.264%0.63931%0.306SS*.SBendtrans-112.3132.9-178-67.7172.4000109.5S235L233-S235 PolarHBondContact O-N 2.97Å
234P65.4Low81Confident107 Ų10754.7 Ų54.770%0.69529%0.285SS*.  trans-59131.6173.624.7-31.8000109.3M236P234-M236 PolarHBondContact O-N 2.8Å
235S61.5Low81.3Confident79 Ų7953.4 Ų53.455%0.55228%0.278SS*.  trans-73.4101.9-178.6-177.80000110.1K229 L233 N237K229-S235 PolarHBondContact NZ-OG 3.23Å; K229-S235 VanDerWaalsContact NZ-OG 3.09Å; L233-S235 PolarHBondContact O-N 2.97Å; S235-N237 VanDerWaalsContact C-N 3.32Å; S235-N237 PolarHBondContact O-N 3.37Å; S235-N237 PolarHBondContact OG-O 3.16Å
236M64.5Low81.7Confident82 Ų8253.4 Ų53.440%0.40428%0.277SS..  trans-68.5-28.9179.8-58.3-71.3-84.900113.3I146 P234I146-M236 HydrophobicContact CD1-CE 3.2Å; I146-M236 HydrophobicContact CD1-SD 3.96Å; I146-M236 HydrophobicContact CG1-CE 3.75Å; P234-M236 PolarHBondContact O-N 2.8Å
237N68.7Low82.1Confident14 Ų1452 Ų528%0.07527%0.269CS..SBendtrans-127.6153.5-175.8-68.1-54000110.1P139 T141 K229 S235P139-N237 HydrophobicContact CG-CB 4.22Å; T141-N237 PolarHBondContact OG1-ND2 3.45Å; K229-N237 PolarHBondContact NZ-O 3.07Å; S235-N237 VanDerWaalsContact C-N 3.32Å; S235-N237 PolarHBondContact O-N 3.37Å; S235-N237 PolarHBondContact OG-O 3.16Å
238R74.9Confident82.7Confident162 Ų16251.8 Ų51.861%0.61127%0.267SS*.SBendtrans-68.2-51173.2-174.9-177169.8129.8-7.2110.8G192 K229G192-R238 WeakPolarHBondContact CA-O 3.3Å; K229-R238 PolarHBondContact NZ-O 3.18Å
239V85Confident83.3Confident2 Ų244.5 Ų44.51%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-130.2134.6179.9-171.70000109.1T152 V154 V157 I190 Q191 V194T152-V239 PolarHBondContact OG1-N 3.3Å; T152-V239 PolarHBondContact OG1-O 2.82Å; V154-V239 HydrophobicContact CG2-CG1 4.35Å; V154-V239 HydrophobicContact CG2-CG2 4.47Å; V157-V239 HydrophobicContact CG2-CB 4.25Å; V157-V239 HydrophobicContact CG2-CG1 3.96Å; I190-V239 HydrophobicContact CG2-CG1 3.57Å; Q191-V239 WeakPolarHBondContact O-CA 3.45Å; V194-V239 HydrophobicContact CG2-CG1 4.06Å; V194-V239 HydrophobicContact CG2-CG2 4.34Å
240S88.6Confident84.1Confident4 Ų442.1 Ų42.13%0.02823%0.229CC..EExtended strand (participates in β ladder)trans-129.1160171.2520000109.3T138 I190 Q191T138-S240 CarbonylContact O-C 3.42Å; T138-S240 WeakPolarHBondContact O-CA 3.32Å; I190-S240 CarbonylContact C-O 3.5Å; Q191-S240 PolarHBondContact N-O 3.32Å; Q191-S240 PolarHBondContact O-N 3.27Å
241G91.3Very high84.7Confident0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-152.6153.4177.500000112.8Y137 T138 L189Y137-G241 WeakPolarHBondContact CA-O 2.89Å; Y137-G241 VanDerWaalsContact CD2-O 3.23Å; Y137-G241 WeakPolarHBondContact CD2-O 3.39Å; T138-G241 PolarHBondContact N-O 3.08Å; T138-G241 PolarHBondContact O-N 3.5Å; L189-G241 CarbonylContact O-C 3.57Å; L189-G241 WeakPolarHBondContact O-CA 3.5Å
242L94.5Very high85.4Confident0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-118.7140.2168.6-174.188.1000108.6A99 A102 T135 G136 Y137 N188 L189 L244A99-L242 HydrophobicContact CB-CD1 3.96Å; A102-L242 HydrophobicContact CB-CB 3.93Å; A102-L242 HydrophobicContact CB-CD1 4.29Å; A102-L242 HydrophobicContact CB-CD2 4.43Å; A102-L242 HydrophobicContact CB-CG 4.46Å; T135-L242 WeakPolarHBondContact OG1-CD1 3.3Å; G136-L242 CarbonylContact O-C 3.19Å; G136-L242 VanDerWaalsContact O-CA 3.31Å; G136-L242 WeakPolarHBondContact O-CA 3.42Å; G136-L242 WeakPolarHBondContact O-CD1 3.47Å; Y137-L242 HydrophobicContact CD2-CB 4.38Å; Y137-L242 HydrophobicContact CD2-CD1 4.07Å; N188-L242 CarbonylContact C-O 3.6Å; N188-L242 VanDerWaalsContact CA-O 3.3Å; N188-L242 WeakPolarHBondContact CA-O 3.47Å; L189-L242 HydrophobicContact CB-CB 4.33Å; L189-L242 HydrophobicContact CD1-CD2 4.08Å; L189-L242 PolarHBondContact N-O 2.89Å; L189-L242 PolarHBondContact O-N 3.02Å; L242-L244 HydrophobicContact CD2-CD2 3.98Å; L242-L244 HydrophobicContact CD2-CG 4.01Å
243M95.7Very high86.1Confident0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-100.1134164.9-174.917970.900109.2T135 G136 L161 L162 V167 V186 N188 A245T135-M243 WeakPolarHBondContact CA-O 3.28Å; T135-M243 WeakPolarHBondContact CB-O 3.29Å; T135-M243 PolarHBondContact OG1-O 3.29Å; G136-M243 PolarHBondContact N-O 3.21Å; G136-M243 PolarHBondContact O-N 2.96Å; L161-M243 HydrophobicContact CB-CB 4.14Å; L161-M243 HydrophobicContact CD1-CB 4.44Å; L161-M243 HydrophobicContact CD2-CB 4.1Å; L161-M243 HydrophobicContact CG-CB 4.44Å; L161-M243 WeakPolarHBondContact O-CE 3.34Å; L162-M243 HydrophobicContact CD2-SD 3.84Å; V167-M243 HydrophobicContact CG2-CE 3.78Å; V186-M243 HydrophobicContact CG1-CG 3.93Å; V186-M243 HydrophobicContact CG1-SD 4.03Å; N188-M243 WeakPolarHBondContact OD1-CB 3.38Å; N188-M243 WeakPolarHBondContact OD1-CG 3.41Å; M243-A245 HydrophobicContact CE-CB 4.18Å; M243-A245 HydrophobicContact CG-CB 4.11Å; M243-A245 HydrophobicContact SD-CB 4.14Å
244L96.3Very high87.2Confident1 Ų124.5 Ų24.51%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-113.9123157.8-64.7175.7000106.2I67 M120 L124 L187 L189 L242I67-L244 HydrophobicContact CD1-CD2 3.87Å; I67-L244 HydrophobicContact CG1-CD2 4.15Å; I67-L244 HydrophobicContact CG2-CD2 4.43Å; M120-L244 HydrophobicContact CE-CD1 4.1Å; L124-L244 HydrophobicContact CD1-CB 3.9Å; L124-L244 HydrophobicContact CD1-CD1 4.16Å; L124-L244 HydrophobicContact CD2-CB 4.25Å; L124-L244 WeakPolarHBondContact CD2-O 3.32Å; L187-L244 PolarHBondContact N-O 2.95Å; L187-L244 PolarHBondContact O-N 3.05Å; L189-L244 HydrophobicContact CD1-CD1 4.22Å; L242-L244 HydrophobicContact CD2-CD2 3.98Å; L242-L244 HydrophobicContact CD2-CG 4.01Å
245A96.8Very high88.4Confident0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-134.813918000000110.3L133 I134 Y183 S185 V186 M243L133-A245 CarbonylContact C-O 3.55Å; L133-A245 WeakPolarHBondContact CA-O 3.27Å; I134-A245 HydrophobicContact CD1-CB 4.35Å; I134-A245 HydrophobicContact CG1-CB 3.89Å; I134-A245 WeakPolarHBondContact CG1-O 3.48Å; I134-A245 PolarHBondContact N-O 2.8Å; I134-A245 PolarHBondContact O-N 3.4Å; Y183-A245 HydrophobicContact CD1-CB 4.06Å; Y183-A245 HydrophobicContact CE1-CB 4Å; S185-A245 CarbonylContact O-C 3.54Å; S185-A245 VanDerWaalsContact O-CA 3.26Å; S185-A245 WeakPolarHBondContact O-CA 3.35Å; V186-A245 HydrophobicContact CG1-CB 4.47Å; V186-A245 HydrophobicContact CG2-CB 4.06Å; M243-A245 HydrophobicContact CE-CB 4.18Å; M243-A245 HydrophobicContact CG-CB 4.11Å; M243-A245 HydrophobicContact SD-CB 4.14Å
246N97.1Very high89.8Confident0 Ų019.4 Ų19.40%09%0.091CC..EExtended strand (participates in β ladder)trans-92.6113.1167.4-165.2-10.3000107.4L124 L130 L133 I184 S185 Y300L124-N246 VanDerWaalsContact O-CB 3.29Å; L124-N246 WeakPolarHBondContact O-CB 3.32Å; L124-N246 PolarHBondContact O-ND2 2.96Å; L130-N246 PolarHBondContact O-ND2 3.49Å; L133-N246 HydrophobicContact CD2-CB 3.58Å; I184-N246 HydrophobicContact CB-CB 3.88Å; I184-N246 WeakPolarHBondContact CB-O 3.2Å; I184-N246 HydrophobicContact CD1-CB 4.49Å; I184-N246 WeakPolarHBondContact CD1-OD1 3.47Å; I184-N246 HydrophobicContact CG2-CB 4.14Å; I184-N246 PolarHBondContact N-O 2.92Å; S185-N246 PolarHBondContact N-O 3.41Å; S185-N246 PolarHBondContact O-N 3.46Å; S185-N246 WeakPolarHBondContact OG-CB 3.35Å; N246-Y300 WeakPolarHBondContact OD1-CE1 3.48Å
247Y96.3Very high91Very high20 Ų2015.5 Ų15.58%0.0787%0.072CC..EExtended strand (participates in β ladder)trans-132.5128.6-170.9-178.8-116000109.9I134 I172 F173 H181 C182 Y183 G249 V250I134-Y247 HydrophobicContact CD1-CD1 4.13Å; I134-Y247 HydrophobicContact CD1-CG 4.1Å; I172-Y247 HydrophobicContact CB-CD1 4.48Å; I172-Y247 HydrophobicContact CB-CE1 4.42Å; I172-Y247 HydrophobicContact CD1-CD1 3.92Å; I172-Y247 HydrophobicContact CD1-CE1 4.3Å; I172-Y247 WeakPolarHBondContact O-CE1 3.34Å; F173-Y247 AromaticContact CD1-CE1 3.71Å; F173-Y247 HydrophobicContact CD1-CE1 3.71Å; F173-Y247 AromaticContact CD1-CZ 3.87Å; F173-Y247 HydrophobicContact CE1-CD1 4.03Å; F173-Y247 AromaticContact CE1-CE1 3.64Å; F173-Y247 HydrophobicContact CE1-CE1 3.64Å; F173-Y247 HydrophobicContact CE1-CE2 4.43Å; F173-Y247 AromaticContact CE1-CZ 3.89Å; H181-Y247 HydrophobicContact CB-CE1 4.19Å; H181-Y247 HydrophobicContact CB-CE2 4.2Å; H181-Y247 VanDerWaalsContact CB-OH 3.28Å; H181-Y247 WeakPolarHBondContact CB-OH 3.41Å; H181-Y247 PolarHBondContact O-OH 2.73Å; C182-Y247 VanDerWaalsContact C-CE2 3.49Å; C182-Y247 WeakPolarHBondContact O-CD2 3.44Å; Y183-Y247 AromaticContact CD1-CD2 3.73Å; Y183-Y247 HydrophobicContact CD1-CD2 3.73Å; Y183-Y247 HydrophobicContact CD1-CG 4.29Å; Y183-Y247 AromaticContact CD2-CD2 3.86Å; Y183-Y247 HydrophobicContact CD2-CD2 3.86Å; Y183-Y247 AromaticContact CD2-CE2 3.98Å; Y183-Y247 HydrophobicContact CD2-CE2 3.98Å; Y183-Y247 AromaticContact CE1-CD2 3.87Å; Y183-Y247 HydrophobicContact CE1-CD2 3.87Å; Y183-Y247 HydrophobicContact CE1-CG 4.22Å; Y183-Y247 AromaticContact CE2-CD2 3.97Å; Y183-Y247 HydrophobicContact CE2-CD2 3.97Å; Y183-Y247 AromaticContact CE2-CE2 3.93Å; Y183-Y247 HydrophobicContact CE2-CE2 3.93Å; Y183-Y247 AromaticContact CG-CD2 3.75Å; Y183-Y247 HydrophobicContact CG-CD2 3.75Å; Y183-Y247 HydrophobicContact CG-CE2 4.33Å; Y183-Y247 AromaticContact CZ-CD2 3.99Å; Y247-G249 PolarHBondContact O-N 3.11Å; Y247-G249 VanDerWaalsContact O-N 3.13Å; Y247-V250 WeakPolarHBondContact O-CB 3.39Å; Y247-V250 WeakPolarHBondContact O-CG1 3.36Å; Y247-V250 PolarHBondContact O-N 3.09Å; Y247-V250 VanDerWaalsContact O-N 3.11Å
248T95.7Very high92.2Very high0 Ų015.2 Ų15.20%07%0.07CC..G310 helixtrans-68.1-16-173.163.20000113.9H181 C182 I184 V250 S251 Y300 A303 T304H181-T248 WeakPolarHBondContact CA-OG1 3.39Å; H181-T248 PolarHBondContact ND1-O 3.32Å; H181-T248 PolarHBondContact ND1-OG1 3.37Å; C182-T248 PolarHBondContact N-OG1 3.45Å; C182-T248 PolarHBondContact O-N 3.02Å; C182-T248 PolarHBondContact O-OG1 3.48Å; I184-T248 HydrophobicContact CD1-CG2 3.84Å; I184-T248 HydrophobicContact CG1-CG2 4.03Å; T248-V250 PolarHBondContact O-N 3.26Å; T248-V250 VanDerWaalsContact O-N 3.17Å; T248-S251 WeakPolarHBondContact O-CB 3.27Å; T248-S251 PolarHBondContact O-N 2.94Å; T248-S251 VanDerWaalsContact O-N 3.15Å; T248-S251 PolarHBondContact O-OG 3.37Å; T248-Y300 HydrophobicContact CG2-CD1 4.34Å; T248-A303 HydrophobicContact CG2-CB 4.38Å; T248-T304 HydrophobicContact CG2-CG2 3.92Å; T248-T304 WeakPolarHBondContact OG1-CG2 3.35Å
249G93.9Very high93Very high0 Ų010.2 Ų10.20%06%0.063CC..G310 helixtrans-63.4-14.9172.400000114I172 H181 Y247 S251 M252I172-G249 WeakPolarHBondContact CG2-O 3.22Å; H181-G249 PolarHBondContact ND1-N 3.43Å; Y247-G249 PolarHBondContact O-N 3.11Å; Y247-G249 VanDerWaalsContact O-N 3.13Å; G249-S251 PolarHBondContact O-N 3.2Å; G249-S251 VanDerWaalsContact O-N 3.15Å; G249-M252 VanDerWaalsContact O-CB 3.32Å; G249-M252 WeakPolarHBondContact O-CB 3.42Å; G249-M252 WeakPolarHBondContact O-CG 3.43Å; G249-M252 PolarHBondContact O-N 3.43Å
250V94.2Very high93.2Very high0 Ų012.4 Ų12.40%07%0.074CC..G310 helixtrans-58.6-25.917277.70000112.3V68 F132 Y247 T248 M252 L253 F254 Y300V68-V250 HydrophobicContact CG2-CG2 4.19Å; F132-V250 HydrophobicContact CB-CG1 4.22Å; F132-V250 HydrophobicContact CB-CG2 4Å; Y247-V250 WeakPolarHBondContact O-CB 3.39Å; Y247-V250 WeakPolarHBondContact O-CG1 3.36Å; Y247-V250 PolarHBondContact O-N 3.09Å; Y247-V250 VanDerWaalsContact O-N 3.11Å; T248-V250 PolarHBondContact O-N 3.26Å; T248-V250 VanDerWaalsContact O-N 3.17Å; V250-M252 PolarHBondContact O-N 3.02Å; V250-M252 VanDerWaalsContact O-N 3.16Å; V250-L253 HydrophobicContact CG2-CD1 4.04Å; V250-L253 WeakPolarHBondContact O-CB 3.11Å; V250-L253 PolarHBondContact O-N 2.72Å; V250-F254 HydrophobicContact CG1-CE2 4.07Å; V250-F254 HydrophobicContact CG1-CZ 4.22Å; V250-F254 HydrophobicContact CG2-CZ 4.14Å; V250-Y300 HydrophobicContact CG1-CD1 3.8Å; V250-Y300 HydrophobicContact CG1-CD2 4.17Å; V250-Y300 HydrophobicContact CG1-CE1 3.47Å; V250-Y300 VanDerWaalsContact CG1-CE1 3.47Å; V250-Y300 HydrophobicContact CG1-CE2 3.91Å; V250-Y300 HydrophobicContact CG1-CG 4.11Å
251S93.7Very high93.3Very high2 Ų212.5 Ų12.51%0.0147%0.073CC..Hα-helixtrans-56.1-28.7173.660.20000113.6H181 T248 G249 L253 F254 G255H181-S251 PolarHBondContact CE1-OG 2.84Å; H181-S251 VanDerWaalsContact CE1-OG 3.24Å; T248-S251 WeakPolarHBondContact O-CB 3.27Å; T248-S251 PolarHBondContact O-N 2.94Å; T248-S251 VanDerWaalsContact O-N 3.15Å; T248-S251 PolarHBondContact O-OG 3.37Å; G249-S251 PolarHBondContact O-N 3.2Å; G249-S251 VanDerWaalsContact O-N 3.15Å; S251-L253 VanDerWaalsContact C-N 3.27Å; S251-L253 PolarHBondContact O-N 2.74Å; S251-F254 WeakPolarHBondContact O-CB 2.96Å; S251-F254 PolarHBondContact O-N 3.42Å; S251-G255 PolarHBondContact O-N 3.38Å
252M91.6Very high93.3Very high38 Ų3816.2 Ų16.219%0.1879%0.091CC..Hα-helixtrans-62.9-34.5176.2-61.8-177.16900111.8D171 N174 G249 V250 F254 G255 K256D171-M252 VanDerWaalsContact O-CE 3.3Å; D171-M252 WeakPolarHBondContact O-CE 3.43Å; N174-M252 HydrophobicContact CB-CE 4.37Å; G249-M252 VanDerWaalsContact O-CB 3.32Å; G249-M252 WeakPolarHBondContact O-CB 3.42Å; G249-M252 WeakPolarHBondContact O-CG 3.43Å; G249-M252 PolarHBondContact O-N 3.43Å; V250-M252 PolarHBondContact O-N 3.02Å; V250-M252 VanDerWaalsContact O-N 3.16Å; M252-F254 VanDerWaalsContact C-N 3.34Å; M252-G255 PolarHBondContact O-N 3.26Å; M252-K256 VanDerWaalsContact O-CG 3.29Å; M252-K256 WeakPolarHBondContact O-CG 3.35Å; M252-K256 PolarHBondContact O-N 3.08Å
253L91.4Very high93.1Very high4 Ų422.9 Ų22.92%0.02112%0.12CC..Hα-helixtrans-66.5-38.5176.4-59.2178.5000111.6F36 V68 V169 I172 V250 S251 T257F36-L253 HydrophobicContact CD1-CB 4.42Å; F36-L253 HydrophobicContact CD1-CD1 4.37Å; F36-L253 HydrophobicContact CE1-CB 4.21Å; F36-L253 HydrophobicContact CE1-CD1 4.35Å; V68-L253 HydrophobicContact CG1-CD1 3.55Å; V169-L253 HydrophobicContact CG1-CD1 3.72Å; V169-L253 HydrophobicContact CG1-CD2 4.27Å; V169-L253 HydrophobicContact CG1-CG 4.4Å; I172-L253 HydrophobicContact CG2-CD1 4.41Å; I172-L253 HydrophobicContact CG2-CD2 4.36Å; I172-L253 HydrophobicContact CG2-CG 4.11Å; V250-L253 HydrophobicContact CG2-CD1 4.04Å; V250-L253 WeakPolarHBondContact O-CB 3.11Å; V250-L253 PolarHBondContact O-N 2.72Å; S251-L253 VanDerWaalsContact C-N 3.27Å; S251-L253 PolarHBondContact O-N 2.74Å; L253-T257 PolarHBondContact O-N 3.09Å; L253-T257 VanDerWaalsContact O-N 3.07Å; L253-T257 PolarHBondContact O-OG1 2.61Å
254F93.7Very high92.8Very high0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-66.2-48.5175.5-50.4-34.5000110.2L56 F132 V250 S251 M252 K256 T257 L258 V293 L296 M297 Y300L56-F254 HydrophobicContact CD1-CD1 4.24Å; L56-F254 HydrophobicContact CD2-CD1 4.15Å; L56-F254 HydrophobicContact CD2-CE1 4.01Å; F132-F254 HydrophobicContact CB-CZ 4.13Å; F132-F254 AromaticContact CD1-CE1 3.95Å; F132-F254 HydrophobicContact CD1-CE1 3.95Å; F132-F254 AromaticContact CD1-CZ 3.79Å; F132-F254 HydrophobicContact CD1-CZ 3.79Å; F132-F254 AromaticContact CD2-CZ 3.83Å; F132-F254 HydrophobicContact CD2-CZ 3.83Å; F132-F254 AromaticContact CE1-CE1 3.98Å; F132-F254 HydrophobicContact CE1-CE1 3.98Å; F132-F254 HydrophobicContact CE1-CZ 4.1Å; F132-F254 HydrophobicContact CE2-CZ 4.16Å; F132-F254 HydrophobicContact CG-CE1 4.29Å; F132-F254 AromaticContact CG-CZ 3.64Å; F132-F254 HydrophobicContact CG-CZ 3.64Å; F132-F254 HydrophobicContact CZ-CE1 4.34Å; F132-F254 HydrophobicContact CZ-CZ 4.28Å; V250-F254 HydrophobicContact CG1-CE2 4.07Å; V250-F254 HydrophobicContact CG1-CZ 4.22Å; V250-F254 HydrophobicContact CG2-CZ 4.14Å; S251-F254 WeakPolarHBondContact O-CB 2.96Å; S251-F254 PolarHBondContact O-N 3.42Å; M252-F254 VanDerWaalsContact C-N 3.34Å; F254-K256 VanDerWaalsContact C-N 3.32Å; F254-K256 PolarHBondContact O-N 3.35Å; F254-T257 WeakPolarHBondContact O-CB 3.18Å; F254-T257 PolarHBondContact O-N 3.45Å; F254-L258 WeakPolarHBondContact O-CG 3.42Å; F254-L258 PolarHBondContact O-N 2.9Å; F254-V293 HydrophobicContact CB-CG1 4.05Å; F254-L296 HydrophobicContact CD1-CD2 4.35Å; F254-L296 HydrophobicContact CD2-CD2 3.96Å; F254-L296 HydrophobicContact CD2-CG 4.01Å; F254-L296 HydrophobicContact CE1-CD2 3.99Å; F254-L296 HydrophobicContact CE2-CD2 3.58Å; F254-L296 HydrophobicContact CE2-CG 3.7Å; F254-L296 HydrophobicContact CG-CD2 4.37Å; F254-L296 HydrophobicContact CZ-CD2 3.6Å; F254-L296 HydrophobicContact CZ-CG 4.22Å; F254-M297 HydrophobicContact CB-CB 4.05Å; F254-M297 HydrophobicContact CB-CG 4.48Å; F254-M297 HydrophobicContact CD2-CB 4.4Å; F254-Y300 AromaticContact CE2-CD2 3.78Å; F254-Y300 HydrophobicContact CE2-CD2 3.78Å; F254-Y300 AromaticContact CE2-CE2 3.88Å; F254-Y300 HydrophobicContact CE2-CE2 3.88Å; F254-Y300 HydrophobicContact CZ-CE2 4.43Å
255G91.9Very high92.3Very high22 Ų2227 Ų2723%0.22714%0.137CC..Hα-helixtrans-56.9-42.7177.700000113.1S251 M252 L258 A259 M297S251-G255 PolarHBondContact O-N 3.38Å; M252-G255 PolarHBondContact O-N 3.26Å; G255-L258 PolarHBondContact O-N 2.88Å; G255-A259 WeakPolarHBondContact O-CB 3.39Å; G255-A259 PolarHBondContact O-N 3Å; G255-M297 WeakPolarHBondContact CA-SD 3.24Å
256K90Very high91.9Very high56 Ų5634.9 Ų34.924%0.24317%0.171CC..Hα-helixtrans-65.7-40.6174.9-68.2179.9-178.2-171.40112.6D171 M252 F254 A259 Q260D171-K256 VanDerWaalsContact CB-NZ 3.26Å; D171-K256 IonicContact OD2-NZ 2.76Å; D171-K256 PolarHBondContact OD2-NZ 2.97Å; M252-K256 VanDerWaalsContact O-CG 3.29Å; M252-K256 WeakPolarHBondContact O-CG 3.35Å; M252-K256 PolarHBondContact O-N 3.08Å; F254-K256 VanDerWaalsContact C-N 3.32Å; F254-K256 PolarHBondContact O-N 3.35Å; K256-A259 PolarHBondContact O-N 3.33Å; K256-Q260 WeakPolarHBondContact O-CG 3.45Å; K256-Q260 PolarHBondContact O-N 2.95Å
257T90.6Very high91.4Very high1 Ų142 Ų421%0.00620%0.203CC..Hα-helixtrans-62.7-43.9177.2-54.80000111.1Q39 L56 L253 F254 Q260 F261Q39-T257 PolarHBondContact NE2-OG1 3.24Å; L56-T257 HydrophobicContact CD1-CG2 3.81Å; L253-T257 PolarHBondContact O-N 3.09Å; L253-T257 VanDerWaalsContact O-N 3.07Å; L253-T257 PolarHBondContact O-OG1 2.61Å; F254-T257 WeakPolarHBondContact O-CB 3.18Å; F254-T257 PolarHBondContact O-N 3.45Å; T257-Q260 PolarHBondContact O-N 3.23Å; T257-F261 WeakPolarHBondContact O-CB 2.91Å; T257-F261 PolarHBondContact O-N 2.89Å
258L93.4Very high90.8Very high8 Ų850.7 Ų50.74%0.04224%0.235CC..Hα-helixtrans-60.9-46.9175.3-67.2168.3000111.3L53 F254 G255 Q260 F261 E262 F290 V293 Q294 M297L53-L258 HydrophobicContact CD1-CD2 3.86Å; F254-L258 WeakPolarHBondContact O-CG 3.42Å; F254-L258 PolarHBondContact O-N 2.9Å; G255-L258 PolarHBondContact O-N 2.88Å; L258-Q260 VanDerWaalsContact C-N 3.34Å; L258-Q260 PolarHBondContact O-N 2.97Å; L258-F261 PolarHBondContact O-N 3.06Å; L258-E262 WeakPolarHBondContact O-CG 3.38Å; L258-E262 PolarHBondContact O-N 3.19Å; L258-F290 HydrophobicContact CB-CE2 3.98Å; L258-F290 HydrophobicContact CD2-CD2 3.41Å; L258-F290 VanDerWaalsContact CD2-CD2 3.41Å; L258-F290 HydrophobicContact CD2-CE2 3.46Å; L258-F290 VanDerWaalsContact CD2-CE2 3.46Å; L258-F290 HydrophobicContact CD2-CG 4.06Å; L258-F290 HydrophobicContact CD2-CZ 4.13Å; L258-F290 HydrophobicContact CG-CE2 4.29Å; L258-V293 HydrophobicContact CD1-CG1 4.25Å; L258-V293 HydrophobicContact CD2-CB 4.04Å; L258-V293 HydrophobicContact CD2-CG1 3.89Å; L258-V293 HydrophobicContact CG-CG1 4Å; L258-Q294 HydrophobicContact CD1-CB 4.16Å; L258-M297 HydrophobicContact CD1-CE 3.92Å; L258-M297 HydrophobicContact CD1-SD 4.22Å
259A91.5Very high90.1Very high56 Ų5651.9 Ų51.946%0.46325%0.245SC..Hα-helixtrans-61.8-39.817900000112.8G255 K256 K263G255-A259 WeakPolarHBondContact O-CB 3.39Å; G255-A259 PolarHBondContact O-N 3Å; K256-A259 PolarHBondContact O-N 3.33Å; A259-K263 WeakPolarHBondContact O-CB 3.42Å; A259-K263 PolarHBondContact O-N 3.35Å; A259-K263 VanDerWaalsContact O-N 3.09Å
260Q89.5Confident89.5Confident49 Ų4956.2 Ų56.223%0.22926%0.264CS..Hα-helixtrans-66.8-43.2175.4-72.8-176.8-16.500111.9Q39 P49 K256 T257 L258 K263 L264Q39-Q260 PolarHBondContact O-NE2 2.88Å; P49-Q260 HydrophobicContact CB-CB 3.95Å; P49-Q260 HydrophobicContact CG-CB 3.92Å; K256-Q260 WeakPolarHBondContact O-CG 3.45Å; K256-Q260 PolarHBondContact O-N 2.95Å; T257-Q260 PolarHBondContact O-N 3.23Å; L258-Q260 VanDerWaalsContact C-N 3.34Å; L258-Q260 PolarHBondContact O-N 2.97Å; Q260-K263 PolarHBondContact O-N 3.39Å; Q260-L264 PolarHBondContact O-N 3.39Å
261F90.4Very high88.7Confident5 Ų556.7 Ų56.72%0.02227%0.266CS..Hα-helixtrans-59.5-49.3174.9167.4-94.2000111.4Y50 L53 T257 L258 K263 L264 R265 L286 F290Y50-F261 AromaticContact CD1-CD2 3.5Å; Y50-F261 HydrophobicContact CD1-CD2 3.5Å; Y50-F261 VanDerWaalsContact CD1-CD2 3.5Å; Y50-F261 AromaticContact CD1-CE2 3.49Å; Y50-F261 HydrophobicContact CD1-CE2 3.49Å; Y50-F261 VanDerWaalsContact CD1-CE2 3.49Å; Y50-F261 AromaticContact CE1-CD2 3.58Å; Y50-F261 HydrophobicContact CE1-CD2 3.58Å; Y50-F261 AromaticContact CE1-CE2 3.46Å; Y50-F261 HydrophobicContact CE1-CE2 3.46Å; Y50-F261 VanDerWaalsContact CE1-CE2 3.46Å; L53-F261 HydrophobicContact CB-CD2 4.45Å; L53-F261 HydrophobicContact CD2-CB 4.47Å; L53-F261 HydrophobicContact CD2-CD1 4Å; L53-F261 HydrophobicContact CD2-CD2 3.45Å; L53-F261 VanDerWaalsContact CD2-CD2 3.45Å; L53-F261 HydrophobicContact CD2-CE1 4.01Å; L53-F261 HydrophobicContact CD2-CE2 3.46Å; L53-F261 VanDerWaalsContact CD2-CE2 3.46Å; L53-F261 HydrophobicContact CD2-CG 3.71Å; L53-F261 HydrophobicContact CD2-CZ 3.75Å; T257-F261 WeakPolarHBondContact O-CB 2.91Å; T257-F261 PolarHBondContact O-N 2.89Å; L258-F261 PolarHBondContact O-N 3.06Å; F261-K263 VanDerWaalsContact C-N 3.28Å; F261-K263 PolarHBondContact O-N 2.94Å; F261-L264 PolarHBondContact O-N 3.35Å; F261-L264 VanDerWaalsContact O-N 3.13Å; F261-R265 HydrophobicContact CE1-CB 4.23Å; F261-R265 HydrophobicContact CE1-CG 4.29Å; F261-R265 HydrophobicContact CZ-CB 4.33Å; F261-R265 HydrophobicContact CZ-CG 4.23Å; F261-R265 WeakPolarHBondContact O-CB 3.46Å; F261-R265 PolarHBondContact O-N 3.37Å; F261-L286 HydrophobicContact CE2-CB 4.16Å; F261-L286 HydrophobicContact CE2-CD1 4.44Å; F261-L286 HydrophobicContact CE2-CD2 4.26Å; F261-L286 HydrophobicContact CZ-CB 4.17Å; F261-F290 AromaticContact CD1-CD2 3.42Å; F261-F290 HydrophobicContact CD1-CD2 3.42Å; F261-F290 VanDerWaalsContact CD1-CD2 3.42Å; F261-F290 AromaticContact CD1-CE2 3.88Å; F261-F290 HydrophobicContact CD1-CE2 3.88Å; F261-F290 HydrophobicContact CD1-CG 4.43Å; F261-F290 HydrophobicContact CE1-CB 4.2Å; F261-F290 AromaticContact CE1-CD2 3.53Å; F261-F290 HydrophobicContact CE1-CD2 3.53Å; F261-F290 HydrophobicContact CE1-CE2 4.26Å; F261-F290 HydrophobicContact CE1-CG 4.14Å; F261-F290 HydrophobicContact CG-CD2 4.48Å
262E91.8Very high87.8Confident79 Ų7963.4 Ų63.437%0.36930%0.298SS..Hα-helixtrans-58.1-41.9178.3-75.6-169.6169.100111.9L258 L264 R265 K266 F290L258-E262 WeakPolarHBondContact O-CG 3.38Å; L258-E262 PolarHBondContact O-N 3.19Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.23Å; E262-R265 PolarHBondContact O-N 2.91Å; E262-K266 WeakPolarHBondContact O-CB 3.46Å; E262-K266 VanDerWaalsContact O-CG 3.27Å; E262-K266 WeakPolarHBondContact O-CG 3.33Å; E262-K266 PolarHBondContact O-N 3.02Å; E262-K266 IonicContact OE2-NZ 3.81Å; E262-F290 HydrophobicContact CG-CE2 3.74Å; E262-F290 HydrophobicContact CG-CZ 4.03Å; E262-F290 WeakPolarHBondContact OE1-CZ 3.45Å
263K90Very high86.9Confident140 Ų14066.5 Ų66.561%0.60931%0.312SS*.Hα-helixtrans-60-39.6178.5-174.1179.6179.1-178.40111.8A259 Q260 F261A259-K263 WeakPolarHBondContact O-CB 3.42Å; A259-K263 PolarHBondContact O-N 3.35Å; A259-K263 VanDerWaalsContact O-N 3.09Å; Q260-K263 PolarHBondContact O-N 3.39Å; F261-K263 VanDerWaalsContact C-N 3.28Å; F261-K263 PolarHBondContact O-N 2.94Å
264L88.1Confident86Confident31 Ų3166.8 Ų66.816%0.16231%0.313CS..Hα-helixtrans-75.2-43.6175.5-68.1-175000112.1P49 Y50 Q260 F261 E262 K266 K267 R268 A269P49-L264 HydrophobicContact CB-CD1 3.95Å; P49-L264 HydrophobicContact CG-CD1 3.58Å; P49-L264 HydrophobicContact CG-CG 4.45Å; Y50-L264 HydrophobicContact CD2-CD1 4.3Å; Y50-L264 HydrophobicContact CE2-CB 4.03Å; Y50-L264 HydrophobicContact CE2-CD1 3.96Å; Y50-L264 VanDerWaalsContact OH-C 3.31Å; Y50-L264 WeakPolarHBondContact OH-CB 3.4Å; Q260-L264 PolarHBondContact O-N 3.39Å; F261-L264 PolarHBondContact O-N 3.35Å; F261-L264 VanDerWaalsContact O-N 3.13Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.23Å; L264-K266 PolarHBondContact O-N 3.44Å; L264-K267 CarbonylContact O-C 3.53Å; L264-K267 PolarHBondContact O-N 3.38Å; L264-K267 VanDerWaalsContact O-N 3.09Å; L264-R268 PolarHBondContact O-N 3.37Å; L264-A269 HydrophobicContact CD2-CB 4.33Å; L264-A269 PolarHBondContact O-N 2.93Å
265R86Confident84.7Confident56 Ų5671.7 Ų71.721%0.21133%0.334CS..Hα-helixtrans-60.5-43.2179.7-171.966.9164.1163.8-2.8111.9Y50 F261 E262 K267 R268 D287Y50-R265 PolarHBondContact OH-N 3.14Å; F261-R265 HydrophobicContact CE1-CB 4.23Å; F261-R265 HydrophobicContact CE1-CG 4.29Å; F261-R265 HydrophobicContact CZ-CB 4.33Å; F261-R265 HydrophobicContact CZ-CG 4.23Å; F261-R265 WeakPolarHBondContact O-CB 3.46Å; F261-R265 PolarHBondContact O-N 3.37Å; E262-R265 PolarHBondContact O-N 2.91Å; R265-K267 PolarHBondContact O-N 3.14Å; R265-R268 PolarHBondContact O-N 2.99Å; R265-D287 IonicContact CZ-OD1 3.69Å; R265-D287 IonicContact NE-OD1 3.09Å; R265-D287 IonicContact NH2-OD1 2.85Å; R265-D287 PolarHBondContact NH2-OD1 3.26Å; R265-D287 IonicContact NH2-OD2 2.83Å; R265-D287 PolarHBondContact NH2-OD2 2.78Å
266K88.9Confident83.3Confident165 Ų16578.9 Ų78.972%0.71736%0.362SS*.Hα-helixtrans-58.2-35.9174.6-75.8174.2-174.1170.30112.5E262 L264 R268E262-K266 WeakPolarHBondContact O-CB 3.46Å; E262-K266 VanDerWaalsContact O-CG 3.27Å; E262-K266 WeakPolarHBondContact O-CG 3.33Å; E262-K266 PolarHBondContact O-N 3.02Å; E262-K266 IonicContact OE2-NZ 3.81Å; L264-K266 PolarHBondContact O-N 3.44Å; K266-R268 VanDerWaalsContact C-N 3.34Å
267K87.7Confident81.9Confident151 Ų15183.6 Ų83.666%0.65738%0.384SS*.THydrogen-bonded Turntrans-85.3-5.7177.5-67-175.8177.3-1690113.8L264 R265 A269L264-K267 CarbonylContact O-C 3.53Å; L264-K267 PolarHBondContact O-N 3.38Å; L264-K267 VanDerWaalsContact O-N 3.09Å; R265-K267 PolarHBondContact O-N 3.14Å; K267-A269 HydrophobicContact CB-CB 4.23Å; K267-A269 PolarHBondContact O-N 3.38Å; K267-A269 VanDerWaalsContact O-N 3.08Å
268R82.5Confident80.3Confident202 Ų20287.2 Ų87.276%0.76241%0.406SS*.THydrogen-bonded Turntrans50.128.5-170-63-176.6170.5-177.4-3113.3L264 R265 K266 L271L264-R268 PolarHBondContact O-N 3.37Å; R265-R268 PolarHBondContact O-N 2.99Å; K266-R268 VanDerWaalsContact C-N 3.34Å; R268-L271 HydrophobicContact CB-CD1 3.86Å; R268-L271 HydrophobicContact CG-CD1 4.03Å
269A81.7Confident78.4Confident25 Ų2587.6 Ų87.621%0.20741%0.409CS..THydrogen-bonded Turntrans-73.4135-175.300000110.4Y50 L264 K267 L271Y50-A269 WeakPolarHBondContact CE2-O 3.46Å; Y50-A269 PolarHBondContact OH-O 2.83Å; L264-A269 HydrophobicContact CD2-CB 4.33Å; L264-A269 PolarHBondContact O-N 2.93Å; K267-A269 HydrophobicContact CB-CB 4.23Å; K267-A269 PolarHBondContact O-N 3.38Å; K267-A269 VanDerWaalsContact O-N 3.08Å; A269-L271 PolarHBondContact O-N 3.23Å
270F80.6Confident76.7Confident91 Ų9187.4 Ų87.440%0.39941%0.412SS..THydrogen-bonded Turntrans59.98.5175.7-45.5-73.7000116.5V46 V47 E272 Q273V46-F270 HydrophobicContact CB-CD1 4.48Å; V46-F270 HydrophobicContact CB-CD2 4.23Å; V46-F270 HydrophobicContact CB-CE1 4.04Å; V46-F270 HydrophobicContact CB-CE2 3.75Å; V46-F270 HydrophobicContact CB-CZ 3.65Å; V46-F270 HydrophobicContact CG1-CE1 4.48Å; V46-F270 HydrophobicContact CG1-CE2 4.45Å; V46-F270 HydrophobicContact CG1-CZ 4Å; V46-F270 HydrophobicContact CG2-CD1 3.86Å; V46-F270 HydrophobicContact CG2-CD2 4.35Å; V46-F270 HydrophobicContact CG2-CE1 3.68Å; V46-F270 HydrophobicContact CG2-CE2 4.19Å; V46-F270 HydrophobicContact CG2-CG 4.2Å; V46-F270 HydrophobicContact CG2-CZ 3.86Å; V47-F270 HydrophobicContact CG1-CB 3.79Å; V47-F270 HydrophobicContact CG1-CG 4.32Å; F270-E272 PolarHBondContact O-N 3Å; F270-Q273 PolarHBondContact O-N 3.36Å
271L78.2Confident75.3Confident9 Ų995.1 Ų95.15%0.04745%0.445CS..Hα-helixtrans-63.3-27.4-179-72.7179000113.4Y50 R268 A269 Q273 F274 K275 Y283 L286Y50-L271 HydrophobicContact CE1-CD2 3.81Å; Y50-L271 HydrophobicContact CE2-CD2 4.37Å; Y50-L271 WeakPolarHBondContact OH-CD2 3.24Å; R268-L271 HydrophobicContact CB-CD1 3.86Å; R268-L271 HydrophobicContact CG-CD1 4.03Å; A269-L271 PolarHBondContact O-N 3.23Å; L271-Q273 PolarHBondContact O-N 2.95Å; L271-F274 PolarHBondContact O-N 3.32Å; L271-K275 PolarHBondContact O-N 3.3Å; L271-Y283 HydrophobicContact CB-CE1 4.13Å; L271-Y283 WeakPolarHBondContact O-CE1 3.46Å; L271-L286 HydrophobicContact CD2-CD1 4.15Å
272E74.4Confident74.2Confident144 Ų14499.7 Ų99.767%0.67347%0.47SS*.Hα-helixtrans-62.1-30.2-178.1-64.4-167.1148.300113.3F270 F274 K275F270-E272 PolarHBondContact O-N 3Å; E272-F274 PolarHBondContact O-N 3.41Å; E272-K275 PolarHBondContact O-N 2.84Å; E272-K275 IonicContact OE1-NZ 3.9Å
273Q73.1Confident73.6Confident103 Ų10397.6 Ų97.648%0.48146%0.459SS..Hα-helixtrans-64-31.7176.4-64.8179.6-10.500111.5V47 F270 L271V47-Q273 VanDerWaalsContact CG1-OE1 3.23Å; F270-Q273 PolarHBondContact O-N 3.36Å; L271-Q273 PolarHBondContact O-N 2.95Å
274F71.8Confident73.4Confident10 Ų1096.1 Ų96.14%0.04445%0.454CS..Hα-helixtrans-85.6-16.6-178.5-68.5-84.3000114V47 Y50 L54 L271 E272 H276 T279V47-F274 HydrophobicContact CB-CE2 4.05Å; V47-F274 HydrophobicContact CB-CZ 4.11Å; V47-F274 HydrophobicContact CG1-CE2 3.91Å; V47-F274 HydrophobicContact CG1-CZ 4.42Å; Y50-F274 VanDerWaalsContact CB-CZ 3.48Å; Y50-F274 HydrophobicContact CD2-CD2 4.35Å; Y50-F274 AromaticContact CD2-CE2 3.69Å; Y50-F274 HydrophobicContact CD2-CE2 3.69Å; Y50-F274 HydrophobicContact CD2-CZ 4.33Å; Y50-F274 HydrophobicContact CG-CD2 4.46Å; Y50-F274 AromaticContact CG-CE2 3.87Å; Y50-F274 HydrophobicContact CG-CE2 3.87Å; Y50-F274 HydrophobicContact CG-CZ 4.17Å; L54-F274 HydrophobicContact CD1-CD1 4.4Å; L54-F274 HydrophobicContact CD1-CE1 4.07Å; L271-F274 PolarHBondContact O-N 3.32Å; E272-F274 PolarHBondContact O-N 3.41Å; F274-H276 PolarHBondContact O-N 3.12Å; F274-T279 PolarHBondContact O-N 3.49Å; F274-T279 PolarHBondContact O-OG1 3.34Å
275K67.5Low73.3Confident103 Ų10396.5 Ų96.545%0.44846%0.455SS..Hα-helixtrans-59.3-34.7178.8-75.3-176.5-179171.30113L271 E272 Y283L271-K275 PolarHBondContact O-N 3.3Å; E272-K275 PolarHBondContact O-N 2.84Å; E272-K275 IonicContact OE1-NZ 3.9Å; K275-Y283 WeakPolarHBondContact CE-OH 3.48Å; K275-Y283 HydrophobicContact CG-CE1 3.67Å; K275-Y283 WeakPolarHBondContact CG-OH 3.39Å
276H62.5Low73.5Confident173 Ų17393.8 Ų93.880%0.80145%0.445SS*.Hα-helixtrans-94.7-28.2-173.8-70.4-73.4000113.3F274F274-H276 PolarHBondContact O-N 3.12Å
277E59.2Low73.5Confident154 Ų15489 Ų8972%0.7243%0.427SS*.Hα-helixtrans-97.4-31-163.4-66.3-17616800114.5
278V56.7Low73.8Confident78 Ų7885.3 Ų85.347%0.47341%0.414SS..THydrogen-bonded Turntrans-142.2-23.1-169.7-177.40000113.8E285V278-E285 HydrophobicContact CG1-CG 4.26Å
279T54.5Low74.3Confident16 Ų1675.7 Ų75.710%0.09838%0.378CS..  trans-115.1131.6-164.147.80000112.6F274 Y283 E285F274-T279 PolarHBondContact O-N 3.49Å; F274-T279 PolarHBondContact O-OG1 3.34Å; T279-Y283 HydrophobicContact CG2-CD1 4.47Å; T279-E285 HydrophobicContact CG2-CB 4.03Å
280G55.6Low74.9Confident51 Ų5176 Ų7653%0.52638%0.375SS..  trans-50.4167.4156.600000110.8N282 Y283G280-N282 PolarHBondContact O-N 3.4Å; G280-Y283 PolarHBondContact O-N 3.13Å; G280-Y283 VanDerWaalsContact O-N 3.12Å
281K59.8Low75.7Confident211 Ų21177.9 Ų77.992%0.91739%0.385SS*.THydrogen-bonded Turntrans-50.2-17.5-169.2-67.5179.3178.5176.20115.8
282N67.6Low76.5Confident102 Ų10278.8 Ų78.855%0.54539%0.391SS..THydrogen-bonded Turntrans-111.22.3-172.6-66.8-18.9000116.2G280 E284G280-N282 PolarHBondContact O-N 3.4Å; N282-E284 HydrophobicContact CB-CG 4.01Å; N282-E284 PolarHBondContact ND2-OE1 3.03Å; N282-E284 PolarHBondContact O-N 3.32Å
283Y78.8Confident77.6Confident34 Ų3472 Ų7213%0.13336%0.359CS..  trans62.624.3-175.9-43.7-82.8000115.7L271 K275 T279 G280 E285 L286 D287L271-Y283 HydrophobicContact CB-CE1 4.13Å; L271-Y283 WeakPolarHBondContact O-CE1 3.46Å; K275-Y283 WeakPolarHBondContact CE-OH 3.48Å; K275-Y283 HydrophobicContact CG-CE1 3.67Å; K275-Y283 WeakPolarHBondContact CG-OH 3.39Å; T279-Y283 HydrophobicContact CG2-CD1 4.47Å; G280-Y283 PolarHBondContact O-N 3.13Å; G280-Y283 VanDerWaalsContact O-N 3.12Å; Y283-E285 PolarHBondContact O-N 2.93Å; Y283-E285 VanDerWaalsContact O-N 3.11Å; Y283-L286 HydrophobicContact CD1-CD1 4.39Å; Y283-L286 WeakPolarHBondContact O-CB 3.47Å; Y283-L286 PolarHBondContact O-N 3.26Å; Y283-D287 PolarHBondContact O-N 3.35Å
284E85.2Confident78.7Confident109 Ų10971 Ų7151%0.50935%0.354SS..Hα-helixtrans-48.7-42-177.1-71.1159.9-16700112.4N282 L286 D287 D288N282-E284 HydrophobicContact CB-CG 4.01Å; N282-E284 PolarHBondContact ND2-OE1 3.03Å; N282-E284 PolarHBondContact O-N 3.32Å; E284-L286 VanDerWaalsContact C-N 3.26Å; E284-L286 PolarHBondContact O-N 3.33Å; E284-D287 PolarHBondContact O-N 3.05Å; E284-D288 PolarHBondContact O-N 3.43Å
285E87.4Confident79.9Confident39 Ų3971.8 Ų71.818%0.18237%0.365CS..Hα-helixtrans-60.1-31.5179.3-177.354.9-151.700114.1L54 K57 R58 V278 T279 Y283 S289L54-E285 HydrophobicContact CD2-CG 3.8Å; K57-E285 WeakPolarHBondContact CD-OE1 3.4Å; K57-E285 WeakPolarHBondContact CE-OE1 3.27Å; K57-E285 IonicContact NZ-OE1 3.74Å; K57-E285 PolarHBondContact NZ-OE1 2.54Å; K57-E285 IonicContact NZ-OE2 2.99Å; K57-E285 PolarHBondContact NZ-OE2 3.25Å; R58-E285 IonicContact CZ-OE1 2.6Å; R58-E285 IonicContact NH1-OE1 3.06Å; R58-E285 PolarHBondContact NH1-OE1 3.05Å; R58-E285 IonicContact NH2-OE1 2.65Å; R58-E285 PolarHBondContact NH2-OE1 3.48Å; V278-E285 HydrophobicContact CG1-CG 4.26Å; T279-E285 HydrophobicContact CG2-CB 4.03Å; Y283-E285 PolarHBondContact O-N 2.93Å; Y283-E285 VanDerWaalsContact O-N 3.11Å; E285-S289 VanDerWaalsContact O-CB 3.28Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.11Å; E285-S289 PolarHBondContact O-OG 3.04Å
286L89.3Confident81.2Confident0 Ų067 Ų670%034%0.344CS..Hα-helixtrans-72.6-39.9175.4-70.5177.9000111.2Y50 L54 F261 L271 Y283 E284 S289 F290Y50-L286 HydrophobicContact CD1-CD1 4.03Å; Y50-L286 HydrophobicContact CD1-CD2 4.1Å; Y50-L286 HydrophobicContact CE1-CD1 4.22Å; L54-L286 HydrophobicContact CD1-CD2 4.05Å; L54-L286 HydrophobicContact CD2-CD2 3.85Å; L54-L286 HydrophobicContact CG-CD2 3.84Å; F261-L286 HydrophobicContact CE2-CB 4.16Å; F261-L286 HydrophobicContact CE2-CD1 4.44Å; F261-L286 HydrophobicContact CE2-CD2 4.26Å; F261-L286 HydrophobicContact CZ-CB 4.17Å; L271-L286 HydrophobicContact CD2-CD1 4.15Å; Y283-L286 HydrophobicContact CD1-CD1 4.39Å; Y283-L286 WeakPolarHBondContact O-CB 3.47Å; Y283-L286 PolarHBondContact O-N 3.26Å; E284-L286 VanDerWaalsContact C-N 3.26Å; E284-L286 PolarHBondContact O-N 3.33Å; L286-S289 PolarHBondContact O-N 3.19Å; L286-F290 PolarHBondContact O-N 3.46Å
287D90.4Very high82.7Confident64 Ų6459.8 Ų59.834%0.34231%0.311SS..Hα-helixtrans-71.6-42.3-179.3-59.7-31.8000109.6R265 Y283 E284 S289 F290 E291R265-D287 IonicContact CZ-OD1 3.69Å; R265-D287 IonicContact NE-OD1 3.09Å; R265-D287 IonicContact NH2-OD1 2.85Å; R265-D287 PolarHBondContact NH2-OD1 3.26Å; R265-D287 IonicContact NH2-OD2 2.83Å; R265-D287 PolarHBondContact NH2-OD2 2.78Å; Y283-D287 PolarHBondContact O-N 3.35Å; E284-D287 PolarHBondContact O-N 3.05Å; D287-S289 VanDerWaalsContact C-N 3.32Å; D287-S289 PolarHBondContact O-N 2.91Å; D287-F290 VanDerWaalsContact O-CB 3.28Å; D287-F290 WeakPolarHBondContact O-CB 3.47Å; D287-F290 PolarHBondContact O-N 3.1Å; D287-F290 VanDerWaalsContact O-N 3.1Å; D287-E291 PolarHBondContact O-N 3.39Å
288D92.3Very high84.4Confident73 Ų7356.5 Ų56.539%0.3930%0.296SS..Hα-helixtrans-58.2-42.4170.3-73.24.6000112.1K57 E284 F290 E291 V292K57-D288 IonicContact NZ-OD2 2.72Å; E284-D288 PolarHBondContact O-N 3.43Å; D288-F290 VanDerWaalsContact C-N 3.28Å; D288-F290 PolarHBondContact O-N 2.97Å; D288-E291 PolarHBondContact O-N 3.3Å; D288-V292 VanDerWaalsContact O-CG2 3.31Å; D288-V292 WeakPolarHBondContact O-CG2 3.38Å; D288-V292 PolarHBondContact O-N 2.65Å
289S93.3Very high86.2Confident0 Ų054.3 Ų54.30%028%0.281CS..Hα-helixtrans-65.5-35.2177.8-60.60000111.8K57 E285 L286 D287 V293K57-S289 WeakPolarHBondContact CD-OG 3.47Å; E285-S289 VanDerWaalsContact O-CB 3.28Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.11Å; E285-S289 PolarHBondContact O-OG 3.04Å; L286-S289 PolarHBondContact O-N 3.19Å; D287-S289 VanDerWaalsContact C-N 3.32Å; D287-S289 PolarHBondContact O-N 2.91Å; S289-V293 WeakPolarHBondContact O-CB 3.27Å; S289-V293 VanDerWaalsContact O-CG2 3.27Å; S289-V293 WeakPolarHBondContact O-CG2 3.45Å; S289-V293 PolarHBondContact O-N 2.67Å; S289-V293 VanDerWaalsContact O-N 3.12Å
290F95.1Very high88.2Confident32 Ų3253.5 Ų53.514%0.1428%0.276CS..Hα-helixtrans-61.9-50.1174.1-173.2-90.6000111.2L53 L258 F261 E262 L286 D287 D288 V292 V293 Q294L53-F290 HydrophobicContact CD2-CB 4.16Å; L258-F290 HydrophobicContact CB-CE2 3.98Å; L258-F290 HydrophobicContact CD2-CD2 3.41Å; L258-F290 VanDerWaalsContact CD2-CD2 3.41Å; L258-F290 HydrophobicContact CD2-CE2 3.46Å; L258-F290 VanDerWaalsContact CD2-CE2 3.46Å; L258-F290 HydrophobicContact CD2-CG 4.06Å; L258-F290 HydrophobicContact CD2-CZ 4.13Å; L258-F290 HydrophobicContact CG-CE2 4.29Å; F261-F290 AromaticContact CD1-CD2 3.42Å; F261-F290 HydrophobicContact CD1-CD2 3.42Å; F261-F290 VanDerWaalsContact CD1-CD2 3.42Å; F261-F290 AromaticContact CD1-CE2 3.88Å; F261-F290 HydrophobicContact CD1-CE2 3.88Å; F261-F290 HydrophobicContact CD1-CG 4.43Å; F261-F290 HydrophobicContact CE1-CB 4.2Å; F261-F290 AromaticContact CE1-CD2 3.53Å; F261-F290 HydrophobicContact CE1-CD2 3.53Å; F261-F290 HydrophobicContact CE1-CE2 4.26Å; F261-F290 HydrophobicContact CE1-CG 4.14Å; F261-F290 HydrophobicContact CG-CD2 4.48Å; E262-F290 HydrophobicContact CG-CE2 3.74Å; E262-F290 HydrophobicContact CG-CZ 4.03Å; E262-F290 WeakPolarHBondContact OE1-CZ 3.45Å; L286-F290 PolarHBondContact O-N 3.46Å; D287-F290 VanDerWaalsContact O-CB 3.28Å; D287-F290 WeakPolarHBondContact O-CB 3.47Å; D287-F290 PolarHBondContact O-N 3.1Å; D287-F290 VanDerWaalsContact O-N 3.1Å; D288-F290 VanDerWaalsContact C-N 3.28Å; D288-F290 PolarHBondContact O-N 2.97Å; F290-V292 PolarHBondContact O-N 3.36Å; F290-V293 PolarHBondContact O-N 3.49Å; F290-Q294 VanDerWaalsContact O-CB 3.26Å; F290-Q294 WeakPolarHBondContact O-CB 3.45Å; F290-Q294 PolarHBondContact O-N 2.76Å
291E96.2Very high90Very high130 Ų13053.4 Ų53.461%0.60726%0.261SS*.Hα-helixtrans-61-43.5179.6-68.6-176178.600112.5D287 D288 V293 Q294 G295D287-E291 PolarHBondContact O-N 3.39Å; D288-E291 PolarHBondContact O-N 3.3Å; E291-V293 PolarHBondContact O-N 2.83Å; E291-Q294 PolarHBondContact O-N 3.06Å; E291-G295 PolarHBondContact O-N 3Å
292V96.4Very high91.6Very high29 Ų2944.2 Ų44.218%0.17622%0.224CC..Hα-helixtrans-62.3-45.8178.7171.20000111.4K57 A60 Q61 D288 F290 G295 L296K57-V292 HydrophobicContact CB-CG1 4.46Å; K57-V292 HydrophobicContact CG-CB 4.24Å; K57-V292 HydrophobicContact CG-CG1 4.18Å; K57-V292 HydrophobicContact CG-CG2 4.27Å; A60-V292 HydrophobicContact CB-CG1 4.11Å; Q61-V292 HydrophobicContact CG-CG1 4.23Å; D288-V292 VanDerWaalsContact O-CG2 3.31Å; D288-V292 WeakPolarHBondContact O-CG2 3.38Å; D288-V292 PolarHBondContact O-N 2.65Å; F290-V292 PolarHBondContact O-N 3.36Å; V292-G295 PolarHBondContact O-N 3.08Å; V292-L296 WeakPolarHBondContact O-CB 3.13Å; V292-L296 PolarHBondContact O-N 3.3Å
293V96.3Very high92.9Very high0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-72.4-34.8-178.9176.10000111.4L53 L56 F254 L258 S289 F290 E291 L296 M297L53-V293 HydrophobicContact CD1-CB 3.97Å; L53-V293 HydrophobicContact CD1-CG1 4.31Å; L53-V293 HydrophobicContact CD1-CG2 3.91Å; L56-V293 HydrophobicContact CB-CG2 3.52Å; L56-V293 HydrophobicContact CD1-CG1 4.04Å; L56-V293 HydrophobicContact CD1-CG2 4.45Å; F254-V293 HydrophobicContact CB-CG1 4.05Å; L258-V293 HydrophobicContact CD1-CG1 4.25Å; L258-V293 HydrophobicContact CD2-CB 4.04Å; L258-V293 HydrophobicContact CD2-CG1 3.89Å; L258-V293 HydrophobicContact CG-CG1 4Å; S289-V293 WeakPolarHBondContact O-CB 3.27Å; S289-V293 VanDerWaalsContact O-CG2 3.27Å; S289-V293 WeakPolarHBondContact O-CG2 3.45Å; S289-V293 PolarHBondContact O-N 2.67Å; S289-V293 VanDerWaalsContact O-N 3.12Å; F290-V293 PolarHBondContact O-N 3.49Å; E291-V293 PolarHBondContact O-N 2.83Å; V293-L296 WeakPolarHBondContact O-CB 3.28Å; V293-L296 PolarHBondContact O-N 2.85Å; V293-M297 PolarHBondContact O-N 3.09Å
294Q96.8Very high93.6Very high82 Ų8239.2 Ų39.238%0.38320%0.201SC..Hα-helixtrans-63.3-47.7171.7-174.3175.217.500111L258 F290 E291 L296 M297 E298L258-Q294 HydrophobicContact CD1-CB 4.16Å; F290-Q294 VanDerWaalsContact O-CB 3.26Å; F290-Q294 WeakPolarHBondContact O-CB 3.45Å; F290-Q294 PolarHBondContact O-N 2.76Å; E291-Q294 PolarHBondContact O-N 3.06Å; Q294-L296 PolarHBondContact O-N 3.24Å; Q294-M297 HydrophobicContact CG-CE 4.43Å; Q294-M297 WeakPolarHBondContact O-CB 3.48Å; Q294-M297 PolarHBondContact O-N 3.45Å; Q294-M297 VanDerWaalsContact O-N 3.13Å; Q294-E298 WeakPolarHBondContact O-CG 3.38Å; Q294-E298 PolarHBondContact O-N 3.33Å
295G96.2Very high93.9Very high27 Ų2739.3 Ų39.328%0.27820%0.2SC..Hα-helixtrans-62-31.717500000112.9R129 E291 V292 E299R129-G295 PolarHBondContact NH2-O 3.09Å; R129-G295 VanDerWaalsContact NH2-O 3.11Å; E291-G295 PolarHBondContact O-N 3Å; V292-G295 PolarHBondContact O-N 3.08Å; G295-E299 WeakPolarHBondContact O-CB 3.45Å; G295-E299 PolarHBondContact O-N 2.82Å
296L95.6Very high94Very high2 Ų245 Ų451%0.0123%0.226CC..Hα-helixtrans-68.1-43.6173179.769000111.4A60 R129 F132 F254 V292 V293 Q294 E299 Y300A60-L296 HydrophobicContact CB-CD2 4.13Å; R129-L296 WeakPolarHBondContact O-CD1 3.31Å; F132-L296 HydrophobicContact CD2-CD1 4.41Å; F132-L296 HydrophobicContact CD2-CD2 4.09Å; F132-L296 HydrophobicContact CE2-CD1 4.14Å; F132-L296 HydrophobicContact CE2-CD2 3.43Å; F132-L296 VanDerWaalsContact CE2-CD2 3.43Å; F132-L296 HydrophobicContact CE2-CG 4.39Å; F132-L296 HydrophobicContact CZ-CD2 3.83Å; F254-L296 HydrophobicContact CD1-CD2 4.35Å; F254-L296 HydrophobicContact CD2-CD2 3.96Å; F254-L296 HydrophobicContact CD2-CG 4.01Å; F254-L296 HydrophobicContact CE1-CD2 3.99Å; F254-L296 HydrophobicContact CE2-CD2 3.58Å; F254-L296 HydrophobicContact CE2-CG 3.7Å; F254-L296 HydrophobicContact CG-CD2 4.37Å; F254-L296 HydrophobicContact CZ-CD2 3.6Å; F254-L296 HydrophobicContact CZ-CG 4.22Å; V292-L296 WeakPolarHBondContact O-CB 3.13Å; V292-L296 PolarHBondContact O-N 3.3Å; V293-L296 WeakPolarHBondContact O-CB 3.28Å; V293-L296 PolarHBondContact O-N 2.85Å; Q294-L296 PolarHBondContact O-N 3.24Å; L296-E299 WeakPolarHBondContact O-CB 3.27Å; L296-E299 PolarHBondContact O-N 3.32Å; L296-Y300 HydrophobicContact CD1-CD2 4.22Å; L296-Y300 HydrophobicContact CD1-CE2 4Å; L296-Y300 HydrophobicContact CG-CD2 4.38Å; L296-Y300 HydrophobicContact CG-CE2 4.43Å; L296-Y300 WeakPolarHBondContact O-CD2 3.34Å; L296-Y300 PolarHBondContact O-N 3.13Å
297M95Very high93.9Very high22 Ų2247.9 Ų47.911%0.10824%0.244CC..Hα-helixtrans-60-47175.6-179.2-175.558.700111.2F254 G255 L258 V293 Q294 Y300 K301F254-M297 HydrophobicContact CB-CB 4.05Å; F254-M297 HydrophobicContact CB-CG 4.48Å; F254-M297 HydrophobicContact CD2-CB 4.4Å; G255-M297 WeakPolarHBondContact CA-SD 3.24Å; L258-M297 HydrophobicContact CD1-CE 3.92Å; L258-M297 HydrophobicContact CD1-SD 4.22Å; V293-M297 PolarHBondContact O-N 3.09Å; Q294-M297 HydrophobicContact CG-CE 4.43Å; Q294-M297 WeakPolarHBondContact O-CB 3.48Å; Q294-M297 PolarHBondContact O-N 3.45Å; Q294-M297 VanDerWaalsContact O-N 3.13Å; M297-Y300 PolarHBondContact O-N 3.32Å; M297-K301 WeakPolarHBondContact O-CG 3.41Å; M297-K301 PolarHBondContact O-N 2.87Å; M297-K301 VanDerWaalsContact O-N 3.14Å
298E94.6Very high93.8Very high86 Ų8645.1 Ų45.140%0.40223%0.229SC..Hα-helixtrans-66.2-35.8179.4-66.5-52.8132.900112.4Q294 Y300 K301 A302Q294-E298 WeakPolarHBondContact O-CG 3.38Å; Q294-E298 PolarHBondContact O-N 3.33Å; E298-Y300 PolarHBondContact O-N 3.3Å; E298-K301 CarbonylContact O-C 3.59Å; E298-K301 WeakPolarHBondContact O-CB 3.48Å; E298-K301 PolarHBondContact O-N 2.65Å; E298-K301 VanDerWaalsContact O-N 3.14Å; E298-K301 IonicContact OE1-NZ 2.74Å; E298-K301 PolarHBondContact OE1-NZ 3.44Å; E298-A302 WeakPolarHBondContact O-CB 3.3Å; E298-A302 PolarHBondContact O-N 3.4Å
299E94.7Very high93.4Very high31 Ų3145.7 Ų45.715%0.14523%0.232CC..Hα-helixtrans-57-48173-173.371.9-165.400112R129 L130 G295 L296 K301 A302 A303 Y308R129-E299 HydrophobicContact CB-CG 3.96Å; R129-E299 IonicContact NE-OE2 3.06Å; L130-E299 HydrophobicContact CD2-CG 3.87Å; L130-E299 HydrophobicContact CG-CG 4.39Å; G295-E299 WeakPolarHBondContact O-CB 3.45Å; G295-E299 PolarHBondContact O-N 2.82Å; L296-E299 WeakPolarHBondContact O-CB 3.27Å; L296-E299 PolarHBondContact O-N 3.32Å; E299-K301 VanDerWaalsContact C-N 3.27Å; E299-K301 PolarHBondContact O-N 3.44Å; E299-A302 PolarHBondContact O-N 3.45Å; E299-A303 WeakPolarHBondContact O-CB 3.26Å; E299-A303 PolarHBondContact O-N 3.03Å; E299-Y308 VanDerWaalsContact OE1-CE2 3.27Å; E299-Y308 WeakPolarHBondContact OE1-CE2 3.36Å; E299-Y308 VanDerWaalsContact OE1-CZ 3.31Å; E299-Y308 PolarHBondContact OE1-OH 3.39Å
300Y95.6Very high92.7Very high0 Ų050.5 Ų50.50%026%0.261CS..Hα-helixtrans-65.5-31.1177.7-90.7-79.2000112.8L130 H131 F132 I184 N246 T248 V250 F254 L296 M297 E298L130-Y300 WeakPolarHBondContact CA-OH 3.37Å; L130-Y300 HydrophobicContact CB-CE1 4.42Å; L130-Y300 HydrophobicContact CD2-CD1 3.61Å; L130-Y300 HydrophobicContact CD2-CD2 3.8Å; L130-Y300 HydrophobicContact CD2-CE1 3.7Å; L130-Y300 HydrophobicContact CD2-CE2 3.85Å; L130-Y300 HydrophobicContact CD2-CG 3.7Å; H131-Y300 PolarHBondContact N-OH 2.99Å; F132-Y300 WeakPolarHBondContact CA-OH 3.34Å; F132-Y300 WeakPolarHBondContact CB-OH 3.27Å; F132-Y300 HydrophobicContact CD2-CE2 4.32Å; F132-Y300 PolarHBondContact N-OH 3.14Å; F132-Y300 PolarHBondContact O-OH 3.36Å; I184-Y300 HydrophobicContact CD1-CD1 4.32Å; I184-Y300 HydrophobicContact CD1-CE1 4.09Å; N246-Y300 WeakPolarHBondContact OD1-CE1 3.48Å; T248-Y300 HydrophobicContact CG2-CD1 4.34Å; V250-Y300 HydrophobicContact CG1-CD1 3.8Å; V250-Y300 HydrophobicContact CG1-CD2 4.17Å; V250-Y300 HydrophobicContact CG1-CE1 3.47Å; V250-Y300 VanDerWaalsContact CG1-CE1 3.47Å; V250-Y300 HydrophobicContact CG1-CE2 3.91Å; V250-Y300 HydrophobicContact CG1-CG 4.11Å; F254-Y300 AromaticContact CE2-CD2 3.78Å; F254-Y300 HydrophobicContact CE2-CD2 3.78Å; F254-Y300 AromaticContact CE2-CE2 3.88Å; F254-Y300 HydrophobicContact CE2-CE2 3.88Å; F254-Y300 HydrophobicContact CZ-CE2 4.43Å; L296-Y300 HydrophobicContact CD1-CD2 4.22Å; L296-Y300 HydrophobicContact CD1-CE2 4Å; L296-Y300 HydrophobicContact CG-CD2 4.38Å; L296-Y300 HydrophobicContact CG-CE2 4.43Å; L296-Y300 WeakPolarHBondContact O-CD2 3.34Å; L296-Y300 PolarHBondContact O-N 3.13Å; M297-Y300 PolarHBondContact O-N 3.32Å; E298-Y300 PolarHBondContact O-N 3.3Å
301K93.9Very high91.5Very high48 Ų4854.2 Ų54.221%0.20928%0.279CS..Hα-helixtrans-71.8-44.3173-67.9175.9-178.2169.90111.1I179 M297 E298 E299 A303 T304I179-K301 HydrophobicContact CD1-CD 3.65Å; I179-K301 HydrophobicContact CD1-CG 3.72Å; M297-K301 WeakPolarHBondContact O-CG 3.41Å; M297-K301 PolarHBondContact O-N 2.87Å; M297-K301 VanDerWaalsContact O-N 3.14Å; E298-K301 CarbonylContact O-C 3.59Å; E298-K301 WeakPolarHBondContact O-CB 3.48Å; E298-K301 PolarHBondContact O-N 2.65Å; E298-K301 VanDerWaalsContact O-N 3.14Å; E298-K301 IonicContact OE1-NZ 2.74Å; E298-K301 PolarHBondContact OE1-NZ 3.44Å; E299-K301 VanDerWaalsContact C-N 3.27Å; E299-K301 PolarHBondContact O-N 3.44Å; K301-A303 VanDerWaalsContact C-N 3.26Å; K301-A303 PolarHBondContact O-N 2.72Å; K301-T304 WeakPolarHBondContact O-CB 3.28Å; K301-T304 PolarHBondContact O-N 2.83Å; K301-T304 PolarHBondContact O-OG1 2.99Å
302A93.6Very high90Very high18 Ų1852.5 Ų52.515%0.14927%0.274CS..Hα-helixtrans-58.3-40.7175.900000110.9E298 E299 T304 K305 Y308E298-A302 WeakPolarHBondContact O-CB 3.3Å; E298-A302 PolarHBondContact O-N 3.4Å; E299-A302 PolarHBondContact O-N 3.45Å; A302-T304 PolarHBondContact O-N 3.06Å; A302-K305 WeakPolarHBondContact O-CB 3.39Å; A302-K305 PolarHBondContact O-N 3.04Å; A302-Y308 HydrophobicContact CB-CD2 3.92Å; A302-Y308 HydrophobicContact CB-CE2 4.32Å
303A93.8Very high87.7Confident0 Ų061 Ų610%032%0.318CS..THydrogen-bonded Turntrans-59.6-14.2175.300000114.5L130 I215 W217 T248 E299 K301 K305 Y308L130-A303 HydrophobicContact CD1-CB 3.98Å; L130-A303 HydrophobicContact CD2-CB 4.39Å; I215-A303 WeakPolarHBondContact CG2-O 3.38Å; W217-A303 HydrophobicContact CZ2-CB 4.45Å; W217-A303 PolarHBondContact NE1-O 3.03Å; T248-A303 HydrophobicContact CG2-CB 4.38Å; E299-A303 WeakPolarHBondContact O-CB 3.26Å; E299-A303 PolarHBondContact O-N 3.03Å; K301-A303 VanDerWaalsContact C-N 3.26Å; K301-A303 PolarHBondContact O-N 2.72Å; A303-K305 VanDerWaalsContact C-N 3.35Å; A303-Y308 HydrophobicContact CB-CD1 4.49Å; A303-Y308 HydrophobicContact CB-CD2 4.24Å; A303-Y308 HydrophobicContact CB-CE1 4.43Å; A303-Y308 HydrophobicContact CB-CE2 4.19Å; A303-Y308 HydrophobicContact CB-CG 4.39Å
304T93.1Very high87.3Confident32 Ų3264 Ų6420%0.19633%0.334CS..THydrogen-bonded Turntrans-78.6-19.4172.768.30000113.4I179 T248 K301 A302I179-T304 HydrophobicContact CG2-CG2 4.05Å; T248-T304 HydrophobicContact CG2-CG2 3.92Å; T248-T304 WeakPolarHBondContact OG1-CG2 3.35Å; K301-T304 WeakPolarHBondContact O-CB 3.28Å; K301-T304 PolarHBondContact O-N 2.83Å; K301-T304 PolarHBondContact O-OG1 2.99Å; A302-T304 PolarHBondContact O-N 3.06Å
305K92.7Very high86.8Confident111 Ų11163.1 Ų63.148%0.48333%0.331SS..SBendtrans-90150.9-175.4-56.9177.7-176.3171.80111.5W217 A302 A303 T307 Y308W217-K305 VanDerWaalsContact CD1-O 3.25Å; A302-K305 WeakPolarHBondContact O-CB 3.39Å; A302-K305 PolarHBondContact O-N 3.04Å; A303-K305 VanDerWaalsContact C-N 3.35Å; K305-T307 PolarHBondContact O-N 3.46Å; K305-Y308 WeakPolarHBondContact O-CB 2.91Å; K305-Y308 PolarHBondContact O-N 3.37Å
306E88.8Confident86.3Confident157 Ų15765.1 Ų65.173%0.73433%0.334SS*.G310 helixtrans-62-30.6173.2-78.5174.2-167.800113.3P216 Y308P216-E306 HydrophobicContact CB-CG 3.5Å; P216-E306 VanDerWaalsContact CB-CG 3.5Å; P216-E306 HydrophobicContact CG-CB 4.3Å; P216-E306 HydrophobicContact CG-CG 3.53Å; E306-Y308 PolarHBondContact O-N 3.04Å
307T87.1Confident85.7Confident61 Ų6168.8 Ų68.837%0.37435%0.353SS..G310 helixtrans-78.2-0.3-177.854.90000114.3K305 L309 T310 E311K305-T307 PolarHBondContact O-N 3.46Å; T307-L309 VanDerWaalsContact C-N 3.34Å; T307-L309 PolarHBondContact O-N 3.12Å; T307-T310 WeakPolarHBondContact CA-OG1 3.44Å; T307-T310 PolarHBondContact O-N 2.72Å; T307-T310 PolarHBondContact O-OG1 3.11Å; T307-E311 VanDerWaalsContact CB-OE1 3.3Å; T307-E311 WeakPolarHBondContact CB-OE1 3.49Å; T307-E311 WeakPolarHBondContact O-CG 3.42Å; T307-E311 PolarHBondContact O-N 3.43Å; T307-E311 PolarHBondContact OG1-OE1 3.05Å
308Y88.5Confident85.1Confident6 Ų671.7 Ų71.72%0.02437%0.368CS..G310 helixtrans-54-46.8-173.3178.1-114.8000113.4L130 W217 E299 A302 A303 K305 E306 T310 E311 L312L130-Y308 HydrophobicContact CD1-CE1 4.28Å; W217-Y308 AromaticContact CD2-CD1 3.92Å; W217-Y308 HydrophobicContact CD2-CD1 3.92Å; W217-Y308 AromaticContact CE2-CD1 3.42Å; W217-Y308 VanDerWaalsContact CE2-CD1 3.42Å; W217-Y308 HydrophobicContact CE3-CD1 4.48Å; W217-Y308 HydrophobicContact CG-CD1 4.37Å; W217-Y308 HydrophobicContact CH2-CD1 4.17Å; W217-Y308 HydrophobicContact CH2-CE1 4.06Å; W217-Y308 AromaticContact CZ2-CD1 3.56Å; W217-Y308 HydrophobicContact CZ2-CD1 3.56Å; W217-Y308 AromaticContact CZ2-CE1 3.72Å; W217-Y308 HydrophobicContact CZ2-CE1 3.72Å; W217-Y308 AromaticContact NE1-CD1 3.62Å; W217-Y308 AromaticContact NE1-CG 3.95Å; E299-Y308 VanDerWaalsContact OE1-CE2 3.27Å; E299-Y308 WeakPolarHBondContact OE1-CE2 3.36Å; E299-Y308 VanDerWaalsContact OE1-CZ 3.31Å; E299-Y308 PolarHBondContact OE1-OH 3.39Å; A302-Y308 HydrophobicContact CB-CD2 3.92Å; A302-Y308 HydrophobicContact CB-CE2 4.32Å; A303-Y308 HydrophobicContact CB-CD1 4.49Å; A303-Y308 HydrophobicContact CB-CD2 4.24Å; A303-Y308 HydrophobicContact CB-CE1 4.43Å; A303-Y308 HydrophobicContact CB-CE2 4.19Å; A303-Y308 HydrophobicContact CB-CG 4.39Å; K305-Y308 WeakPolarHBondContact O-CB 2.91Å; K305-Y308 PolarHBondContact O-N 3.37Å; E306-Y308 PolarHBondContact O-N 3.04Å; Y308-T310 VanDerWaalsContact C-N 3.33Å; Y308-T310 PolarHBondContact O-N 2.84Å; Y308-E311 PolarHBondContact O-N 3.36Å; Y308-L312 HydrophobicContact CD1-CD1 4.33Å; Y308-L312 HydrophobicContact CE1-CD1 3.88Å; Y308-L312 HydrophobicContact CE2-CD1 4.38Å; Y308-L312 WeakPolarHBondContact O-CG 3.22Å
309L83.2Confident84.5Confident86 Ų8670.7 Ų70.745%0.4537%0.366SS..G310 helixtrans-69.6-30179.8-67.1179.6000113W217 T307 L312W217-L309 HydrophobicContact CB-CD1 4.03Å; W217-L309 HydrophobicContact CB-CG 4.07Å; W217-L309 HydrophobicContact CD2-CG 4.2Å; W217-L309 HydrophobicContact CE3-CD1 3.96Å; W217-L309 HydrophobicContact CE3-CD2 3.98Å; W217-L309 HydrophobicContact CE3-CG 3.93Å; W217-L309 HydrophobicContact CG-CG 4.28Å; W217-L309 HydrophobicContact CZ3-CD2 4.3Å; T307-L309 VanDerWaalsContact C-N 3.34Å; T307-L309 PolarHBondContact O-N 3.12Å; L309-L312 HydrophobicContact CD2-CD1 4.26Å
310T78.8Confident83.8Confident101 Ų10173.6 Ų73.662%0.6238%0.382SS*.G310 helixtrans-79.8-18.5179.3520000113.3T307 Y308T307-T310 WeakPolarHBondContact CA-OG1 3.44Å; T307-T310 PolarHBondContact O-N 2.72Å; T307-T310 PolarHBondContact O-OG1 3.11Å; Y308-T310 VanDerWaalsContact C-N 3.33Å; Y308-T310 PolarHBondContact O-N 2.84Å
311E71.2Confident82.9Confident110 Ų11079.2 Ų79.251%0.51441%0.411SS..G310 helixtrans-88.7-6.9177-70.9172.2-159.900112.6T307 Y308T307-E311 VanDerWaalsContact CB-OE1 3.3Å; T307-E311 WeakPolarHBondContact CB-OE1 3.49Å; T307-E311 WeakPolarHBondContact O-CG 3.42Å; T307-E311 PolarHBondContact O-N 3.43Å; T307-E311 PolarHBondContact OG1-OE1 3.05Å; Y308-E311 PolarHBondContact O-N 3.36Å
312L63.8Low82Confident94 Ų9481.8 Ų81.849%0.49243%0.428SS..  trans-87.3-21179.5-77168.3000113.9Y308 L309Y308-L312 HydrophobicContact CD1-CD1 4.33Å; Y308-L312 HydrophobicContact CE1-CD1 3.88Å; Y308-L312 HydrophobicContact CE2-CD1 4.38Å; Y308-L312 WeakPolarHBondContact O-CG 3.22Å; L309-L312 HydrophobicContact CD2-CD1 4.26Å
313D49Very low80.9Confident206 Ų20687.6 Ų87.6100%1.10245%0.453SS*.  trans-91.70177.8-69.8-27.7000111.6

Retrieved 313 of 313 residues in 217 ms (Link to these results)

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