A0A3Q0KII4_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KII4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 617 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44Very low57.3Low205 Ų20582.3 Ų82.3100%1.0149%0.489SS*.  0-41.90-79.4-166.8-122.700114.2A3 Y4 S5M1-A3 PolarHBondContact O-N 3.36Å; M1-Y4 PolarHBondContact O-N 3.12Å; M1-S5 PolarHBondContact O-N 3.22Å
2S51.8Low58.6Low108 Ų10877.9 Ų77.976%0.75547%0.469SS*.Hα-helixtrans-62.1-41.1-175.970.90000114.2Y4 S5 S6S2-Y4 VanDerWaalsContact C-N 3.34Å; S2-Y4 PolarHBondContact O-N 3.36Å; S2-S5 PolarHBondContact O-N 2.93Å; S2-S6 PolarHBondContact O-N 2.89Å; S2-S6 VanDerWaalsContact O-N 3.08Å
3A53.9Low60.4Low45 Ų4573.8 Ų73.837%0.37244%0.44SS..Hα-helixtrans-58.9-43.2174.700000112.3M1 S6 L7M1-A3 PolarHBondContact O-N 3.36Å; A3-S6 PolarHBondContact O-N 3.48Å; A3-S6 PolarHBondContact O-OG 2.98Å; A3-L7 WeakPolarHBondContact O-CG 3.3Å; A3-L7 PolarHBondContact O-N 3.1Å
4Y58.8Low62.2Low81 Ų8184.6 Ų84.632%0.31847%0.469SS..Hα-helixtrans-67.6-41.8178.3-64.9-72.7000113.1M1 S2 S6 L7 L8 L26 V40 L53M1-Y4 PolarHBondContact O-N 3.12Å; S2-Y4 VanDerWaalsContact C-N 3.34Å; S2-Y4 PolarHBondContact O-N 3.36Å; Y4-S6 VanDerWaalsContact C-N 3.3Å; Y4-S6 PolarHBondContact O-N 2.91Å; Y4-L7 WeakPolarHBondContact O-CB 3.49Å; Y4-L7 PolarHBondContact O-N 3.36Å; Y4-L7 VanDerWaalsContact O-N 3.13Å; Y4-L8 PolarHBondContact O-N 3.14Å; Y4-L26 HydrophobicContact CD1-CD2 3.5Å; Y4-L26 HydrophobicContact CE1-CD1 4.16Å; Y4-L26 HydrophobicContact CE1-CD2 3.22Å; Y4-L26 HydrophobicContact CE1-CG 4.33Å; Y4-L26 HydrophobicContact CG-CD2 4.5Å; Y4-V40 HydrophobicContact CD1-CG2 3.89Å; Y4-V40 HydrophobicContact CE1-CG2 4.41Å; Y4-L53 HydrophobicContact CD1-CD2 4.21Å; Y4-L53 HydrophobicContact CE1-CD1 4.35Å; Y4-L53 HydrophobicContact CE1-CD2 3.7Å
5S55.4Low64.2Low82 Ų8283.3 Ų83.357%0.57346%0.457SS*.Hα-helixtrans-61.3-39.7175.2-179.80000111.6M1 S2 L7 L8 S9M1-S5 PolarHBondContact O-N 3.22Å; S2-S5 PolarHBondContact O-N 2.93Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.03Å; S5-L8 PolarHBondContact O-N 2.96Å; S5-S9 PolarHBondContact O-N 2.92Å
6S61.2Low66.2Low57 Ų5780.8 Ų80.840%0.39944%0.442SS..Hα-helixtrans-65.8-25.8175.785.20000114.1S2 A3 Y4 S9S2-S6 PolarHBondContact O-N 2.89Å; S2-S6 VanDerWaalsContact O-N 3.08Å; A3-S6 PolarHBondContact O-N 3.48Å; A3-S6 PolarHBondContact O-OG 2.98Å; Y4-S6 VanDerWaalsContact C-N 3.3Å; Y4-S6 PolarHBondContact O-N 2.91Å; S6-S9 PolarHBondContact O-OG 3.48Å
7L60.5Low67.9Low3 Ų378.7 Ų78.72%0.01643%0.434CS..Hα-helixtrans-77.4-31.1177.3-71.6164.9000111.4A3 Y4 S5 V40 I51 L53A3-L7 WeakPolarHBondContact O-CG 3.3Å; A3-L7 PolarHBondContact O-N 3.1Å; Y4-L7 WeakPolarHBondContact O-CB 3.49Å; Y4-L7 PolarHBondContact O-N 3.36Å; Y4-L7 VanDerWaalsContact O-N 3.13Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.03Å; L7-V40 HydrophobicContact CB-CG2 4.44Å; L7-V40 HydrophobicContact CD1-CG2 4.02Å; L7-I51 HydrophobicContact CD2-CG2 3.69Å; L7-L53 HydrophobicContact CD1-CD2 3.62Å
8L59.7Low69.4Low41 Ų4175.2 Ų75.222%0.21542%0.418CS..Hα-helixtrans-86.2-10.5-178.2-67.2170.9000113.9Y4 S5 G10 R21 H24 V40Y4-L8 PolarHBondContact O-N 3.14Å; S5-L8 PolarHBondContact O-N 2.96Å; L8-G10 PolarHBondContact O-N 2.78Å; L8-R21 PolarHBondContact O-NH1 2.92Å; L8-R21 PolarHBondContact O-NH2 3.28Å; L8-H24 HydrophobicContact CD2-CB 4.29Å; L8-V40 HydrophobicContact CD2-CG1 4.09Å
9S61.8Low70.9Confident69 Ų6971.8 Ų71.848%0.48340%0.399SS..SBendtrans-68.58.4-17666.10000115.2S5 S6 H11S5-S9 PolarHBondContact O-N 2.92Å; S6-S9 PolarHBondContact O-OG 3.48Å; S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact O-CD2 3.28Å; S9-H11 PolarHBondContact O-N 2.74Å
10G58.5Low72.1Confident43 Ų4374.7 Ų74.744%0.44341%0.409SS..SBendtrans81.8-3.517200000115.4L8L8-G10 PolarHBondContact O-N 2.78Å
11H65Low73.2Confident171 Ų17175.4 Ų75.479%0.79241%0.406SS*.  trans-87.7-7.8-178.3-64.9-63.8000115S9S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact O-CD2 3.28Å; S9-H11 PolarHBondContact O-N 2.74Å
12A73.2Confident75.6Confident30 Ų3067.7 Ų67.725%0.24837%0.37CS..SBendtrans-71.9-31.5-176.100000113.3I51 I75A12-I51 HydrophobicContact CB-CD1 3.64Å; A12-I75 WeakPolarHBondContact O-CD1 3.35Å
13Y81.6Confident77.7Confident24 Ų2464.2 Ų64.29%0.09434%0.343CS..SBendtrans-155.7153.6175.871.6-79.4000111K15 E42 T44 V49 I51Y13-K15 HydrophobicContact CE2-CG 3.82Å; Y13-K15 WeakPolarHBondContact OH-CE 3.34Å; Y13-E42 PolarHBondContact OH-OE1 2.88Å; Y13-T44 WeakPolarHBondContact OH-CG2 3.46Å; Y13-V49 HydrophobicContact CD1-CG1 3.93Å; Y13-V49 HydrophobicContact CD2-CG2 4.46Å; Y13-V49 HydrophobicContact CE1-CB 4.04Å; Y13-V49 HydrophobicContact CE1-CG1 3.83Å; Y13-V49 HydrophobicContact CE1-CG2 4.02Å; Y13-V49 HydrophobicContact CE2-CG2 3.84Å; Y13-V49 HydrophobicContact CG-CG1 4.47Å; Y13-I51 HydrophobicContact CD1-CD1 4.45Å
14R85.9Confident79.5Confident226 Ų22664.7 Ų64.785%0.85334%0.338SS*.PPolyproline II helixtrans-79.1125.2174.5-173.8176.2179.9-177.41.2110.5
15K92.2Very high81.1Confident64 Ų6461.2 Ų61.228%0.27833%0.325SS..PPolyproline II helixtrans-76.8149.2169.5-73.1178.4179.2174.30111.1Y13 E19 E42Y13-K15 HydrophobicContact CE2-CG 3.82Å; Y13-K15 WeakPolarHBondContact OH-CE 3.34Å; K15-E19 WeakPolarHBondContact CA-OE2 3.39Å; K15-E19 HydrophobicContact CB-CB 4.18Å; K15-E19 HydrophobicContact CB-CG 4.35Å; K15-E19 HydrophobicContact CG-CG 4.35Å; K15-E42 VanDerWaalsContact CE-OE1 3.24Å; K15-E42 WeakPolarHBondContact CE-OE1 3.35Å; K15-E42 IonicContact NZ-OE1 2.81Å; K15-E42 PolarHBondContact NZ-OE1 3.38Å
16L95.1Very high82.8Confident44 Ų4460.9 Ų60.923%0.2332%0.316CS..PPolyproline II helixtrans-75.8157.1174.5-63175.8000111.2G18 E19 F46 F138 Y142L16-G18 PolarHBondContact O-N 3.45Å; L16-E19 HydrophobicContact CB-CB 4.06Å; L16-E19 PolarHBondContact N-OE2 3.15Å; L16-E19 VanDerWaalsContact O-CB 3.22Å; L16-E19 WeakPolarHBondContact O-CB 3.36Å; L16-E19 PolarHBondContact O-N 3.33Å; L16-F46 HydrophobicContact CD1-CD1 3.7Å; L16-F46 HydrophobicContact CD1-CE1 3.52Å; L16-F46 HydrophobicContact CD1-CZ 4.19Å; L16-F138 HydrophobicContact CB-CZ 3.99Å; L16-F138 HydrophobicContact CD1-CE1 4.03Å; L16-F138 HydrophobicContact CD1-CZ 4.16Å; L16-Y142 HydrophobicContact CB-CD2 4.36Å; L16-Y142 HydrophobicContact CB-CE2 4.43Å
17P96.2Very high84.3Confident45 Ų4558.4 Ų58.429%0.29230%0.299SS..THydrogen-bonded Turntrans-47.5123.4165.9-28.233000112E19 Y142 K145P17-E19 VanDerWaalsContact C-N 3.26Å; P17-E19 PolarHBondContact O-N 2.93Å; P17-Y142 HydrophobicContact CB-CD2 4.17Å; P17-Y142 HydrophobicContact CB-CE2 4.31Å; P17-Y142 HydrophobicContact CG-CD2 4.47Å; P17-Y142 HydrophobicContact CG-CE2 4.12Å; P17-Y142 WeakPolarHBondContact O-CD2 3.45Å; P17-K145 HydrophobicContact CB-CB 3.71Å
18G94.8Very high85.8Confident15 Ų1559.1 Ų59.116%0.15531%0.305CS..THydrogen-bonded Turntrans79.50.2-178.500000115.1L16 N45L16-G18 PolarHBondContact O-N 3.45Å; G18-N45 PolarHBondContact O-ND2 3.26Å
19E96.5Very high87.4Confident12 Ų1257.5 Ų57.56%0.05630%0.296CS..  trans-82121.5175.6-175.3-177.7-178.800111.1K15 L16 P17 T44 N45 F46 Q47 F138K15-E19 WeakPolarHBondContact CA-OE2 3.39Å; K15-E19 HydrophobicContact CB-CB 4.18Å; K15-E19 HydrophobicContact CB-CG 4.35Å; K15-E19 HydrophobicContact CG-CG 4.35Å; L16-E19 HydrophobicContact CB-CB 4.06Å; L16-E19 PolarHBondContact N-OE2 3.15Å; L16-E19 VanDerWaalsContact O-CB 3.22Å; L16-E19 WeakPolarHBondContact O-CB 3.36Å; L16-E19 PolarHBondContact O-N 3.33Å; P17-E19 VanDerWaalsContact C-N 3.26Å; P17-E19 PolarHBondContact O-N 2.93Å; E19-T44 HydrophobicContact CG-CG2 4.05Å; E19-T44 WeakPolarHBondContact CG-OG1 3.34Å; E19-T44 WeakPolarHBondContact OE1-CB 3.49Å; E19-T44 VanDerWaalsContact OE1-CG2 3.29Å; E19-T44 WeakPolarHBondContact OE1-CG2 3.38Å; E19-T44 PolarHBondContact OE1-OG1 3.1Å; E19-N45 VanDerWaalsContact CA-OD1 3.29Å; E19-N45 WeakPolarHBondContact CA-OD1 3.49Å; E19-F46 HydrophobicContact CG-CB 4.23Å; E19-Q47 VanDerWaalsContact OE1-CG 3.23Å; E19-Q47 WeakPolarHBondContact OE1-CG 3.31Å; E19-Q47 PolarHBondContact OE1-NE2 2.99Å; E19-Q47 PolarHBondContact OE2-NE2 3.28Å; E19-F138 HydrophobicContact CB-CE2 3.88Å; E19-F138 HydrophobicContact CB-CZ 4.05Å
20E95.4Very high88.7Confident128 Ų12856.1 Ų56.160%0.59829%0.285SS*.  trans-126.8144.3-175.5-67179.8-179.100110.5V22 T44 N45E20-V22 PolarHBondContact O-N 3.47Å; E20-T44 CarbonylContact O-C 3.51Å; E20-T44 WeakPolarHBondContact O-CA 3.43Å; E20-T44 WeakPolarHBondContact O-CB 3.35Å; E20-N45 PolarHBondContact N-OD1 3.1Å; E20-N45 PolarHBondContact O-N 2.9Å; E20-N45 PolarHBondContact O-OD1 3.38Å
21R95.1Very high89.9Confident90 Ų9055.5 Ų55.534%0.3427%0.272SS..EExtended strand (participates in β ladder)trans-69.8129.9175.2-178.3-178.7-67.2157.9-5.5108.6L8 E42L8-R21 PolarHBondContact O-NH1 2.92Å; L8-R21 PolarHBondContact O-NH2 3.28Å; R21-E42 HydrophobicContact CG-CG 4.11Å; R21-E42 IonicContact CZ-OE1 3.7Å; R21-E42 IonicContact CZ-OE2 3.33Å; R21-E42 IonicContact NE-OE1 2.97Å; R21-E42 PolarHBondContact NE-OE1 3.32Å; R21-E42 IonicContact NE-OE2 3.09Å; R21-E42 PolarHBondContact NE-OE2 2.76Å; R21-E42 VanDerWaalsContact NE-OE2 3.09Å; R21-E42 IonicContact NH2-OE1 3.53Å; R21-E42 IonicContact NH2-OE2 2.78Å; R21-E42 PolarHBondContact NH2-OE2 3Å
22V95.4Very high90.4Very high43 Ų4349.1 Ų49.126%0.26124%0.241SC..EExtended strand (participates in β ladder)trans-98.9-49.2174.41740000109.7E20 L43 N45 N123 Y127E20-V22 PolarHBondContact O-N 3.47Å; V22-L43 HydrophobicContact CB-CD2 4.23Å; V22-L43 HydrophobicContact CB-CG 4.09Å; V22-L43 HydrophobicContact CG1-CD2 3.98Å; V22-L43 HydrophobicContact CG1-CG 4.39Å; V22-L43 PolarHBondContact N-O 3.04Å; V22-N45 HydrophobicContact CG2-CB 4.18Å; V22-N123 HydrophobicContact CG1-CB 4.27Å; V22-Y127 HydrophobicContact CB-CE2 4.3Å; V22-Y127 HydrophobicContact CG1-CD2 3.91Å; V22-Y127 HydrophobicContact CG1-CE2 3.43Å; V22-Y127 VanDerWaalsContact CG1-CE2 3.43Å; V22-Y127 HydrophobicContact CG2-CD1 4.24Å; V22-Y127 HydrophobicContact CG2-CD2 4.27Å; V22-Y127 HydrophobicContact CG2-CE1 3.78Å; V22-Y127 HydrophobicContact CG2-CE2 3.86Å; V22-Y127 HydrophobicContact CG2-CG 4.45Å
23D94.8Very high90.3Very high36 Ų3650.6 Ų50.619%0.19326%0.259CS..EExtended strand (participates in β ladder)trans-156.2167.9-174.1-152.7-15.3000111.5L43 F120 N123D23-L43 HydrophobicContact CB-CB 4.29Å; D23-L43 HydrophobicContact CB-CD2 4.4Å; D23-L43 PolarHBondContact N-O 3.15Å; D23-L43 VanDerWaalsContact N-O 3.12Å; D23-L43 PolarHBondContact O-N 3.41Å; D23-F120 HydrophobicContact CB-CD2 3.93Å; D23-F120 HydrophobicContact CB-CE2 4.34Å; D23-F120 WeakPolarHBondContact OD2-CA 3.4Å; D23-N123 PolarHBondContact OD2-ND2 2.85Å
24H92.8Very high90Very high55 Ų5552 Ų5226%0.25528%0.281SS..EExtended strand (participates in β ladder)trans-156.5151.3170.165.4-69.5000112L8 V40 I41L8-H24 HydrophobicContact CD2-CB 4.29Å; H24-V40 HydrophobicContact CB-CG1 4.35Å; H24-I41 CarbonylContact C-O 3.5Å; H24-I41 WeakPolarHBondContact CA-O 3.36Å; H24-I41 WeakPolarHBondContact CB-O 3Å
25C91.8Very high89.8Confident8 Ų844 Ų445%0.05426%0.255CS..EExtended strand (participates in β ladder)trans-145.4165.3177.4-159.20000111.6V40 I41 F111 F120C25-V40 WeakPolarHBondContact O-CA 3.28Å; C25-I41 HydrophobicContact CB-CG2 3.98Å; C25-I41 PolarHBondContact N-O 2.92Å; C25-I41 WeakPolarHBondContact O-CG2 3.12Å; C25-I41 PolarHBondContact O-N 3.35Å; C25-F111 HydrophobicContact CB-CD1 4.16Å; C25-F111 HydrophobicContact CB-CE1 3.87Å; C25-F120 HydrophobicContact CB-CD2 4.15Å; C25-F120 HydrophobicContact CB-CG 4.28Å
26L91.3Very high89.6Confident75 Ų7544.5 Ų44.539%0.39326%0.261SS..EExtended strand (participates in β ladder)trans-80.8133.4165.2-61.7-174000109Y4 V40 F111Y4-L26 HydrophobicContact CD1-CD2 3.5Å; Y4-L26 HydrophobicContact CE1-CD1 4.16Å; Y4-L26 HydrophobicContact CE1-CD2 3.22Å; Y4-L26 HydrophobicContact CE1-CG 4.33Å; Y4-L26 HydrophobicContact CG-CD2 4.5Å; L26-V40 HydrophobicContact CD2-CG2 4Å; L26-F111 VanDerWaalsContact O-CD1 3.32Å; L26-F111 WeakPolarHBondContact O-CD1 3.34Å
27A92.6Very high89.3Confident5 Ų542.8 Ų42.84%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-150.6162.9178.900000110.8G39 I41 V110 F111A27-G39 PolarHBondContact N-O 3.44Å; A27-G39 VanDerWaalsContact N-O 3.09Å; A27-G39 PolarHBondContact O-N 3.21Å; A27-G39 VanDerWaalsContact O-O 3.07Å; A27-I41 HydrophobicContact CB-CB 4.14Å; A27-I41 HydrophobicContact CB-CG2 3.7Å; A27-V110 CarbonylContact C-O 3.21Å; A27-V110 WeakPolarHBondContact CA-O 3.44Å; A27-F111 HydrophobicContact CB-CD1 3.94Å; A27-F111 HydrophobicContact CB-CE1 3.76Å; A27-F111 HydrophobicContact CB-CE2 4.39Å; A27-F111 HydrophobicContact CB-CG 4.38Å; A27-F111 HydrophobicContact CB-CZ 3.98Å
28S92.7Very high89Confident18 Ų1844.7 Ų44.713%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-112.8122170.8-44.20000108.4L37 H38 F109 V110S28-L37 CarbonylContact C-O 3.51Å; S28-L37 VanDerWaalsContact CA-O 3.24Å; S28-L37 WeakPolarHBondContact CA-O 3.46Å; S28-H38 PolarHBondContact OG-CE1 3.05Å; S28-H38 VanDerWaalsContact OG-CE1 3.22Å; S28-H38 PolarHBondContact OG-ND1 3.19Å; S28-F109 CarbonylContact O-C 3.58Å; S28-F109 VanDerWaalsContact O-CA 3.31Å; S28-F109 WeakPolarHBondContact O-CA 3.28Å; S28-V110 PolarHBondContact N-O 3.49Å; S28-V110 PolarHBondContact O-N 3.41Å
29H92.1Very high88.9Confident6 Ų644.2 Ų44.23%0.02825%0.251CS..EExtended strand (participates in β ladder)trans-82.9121172175.445.3000109.5T31 L37 F50 Y74 V108 F109H29-T31 PolarHBondContact O-N 2.89Å; H29-L37 PolarHBondContact N-O 2.69Å; H29-L37 PolarHBondContact O-N 2.76Å; H29-F50 HydrophobicContact CB-CD1 3.92Å; H29-F50 HydrophobicContact CB-CD2 4.35Å; H29-F50 HydrophobicContact CB-CE1 3.7Å; H29-F50 HydrophobicContact CB-CE2 4.15Å; H29-F50 HydrophobicContact CB-CG 4.25Å; H29-F50 HydrophobicContact CB-CZ 3.83Å; H29-Y74 AromaticContact CD2-CE1 3.87Å; H29-Y74 PolarHBondContact CD2-OH 3.33Å; H29-Y74 PolarHBondContact NE2-OH 2.8Å; H29-V108 PolarHBondContact ND1-O 3.38Å; H29-F109 HydrophobicContact CB-CD1 4Å; H29-F109 HydrophobicContact CB-CE1 3.81Å; H29-F109 AromaticContact ND1-CE1 3.92Å
30V89.6Confident88.6Confident41 Ų4143.8 Ų43.825%0.24825%0.25CC..EExtended strand (participates in β ladder)trans-83.7111.3172.3-164.80000107.9N36 V108 V110V30-N36 WeakPolarHBondContact CG2-OD1 3.36Å; V30-V108 HydrophobicContact CB-CB 4.05Å; V30-V108 HydrophobicContact CB-CG1 4.3Å; V30-V108 HydrophobicContact CG2-CB 4.08Å; V30-V108 HydrophobicContact CG2-CG1 3.8Å; V30-V108 PolarHBondContact N-O 3.44Å; V30-V110 HydrophobicContact CG2-CG2 3.72Å
31T83.1Confident88.5Confident29 Ų2937.7 Ų37.718%0.17822%0.221CC..  trans-74.2159.2175.5660000110.7H29 G33 G34 L35 L37H29-T31 PolarHBondContact O-N 2.89Å; T31-G33 PolarHBondContact O-N 3.34Å; T31-G34 PolarHBondContact O-N 3.12Å; T31-L35 PolarHBondContact N-O 2.79Å; T31-L35 WeakPolarHBondContact OG1-CB 3.34Å; T31-L35 PolarHBondContact OG1-N 2.95Å; T31-L35 VanDerWaalsContact OG1-N 3.17Å; T31-L35 PolarHBondContact OG1-O 2.99Å; T31-L37 HydrophobicContact CG2-CD1 3.81Å; T31-L37 HydrophobicContact CG2-CG 4.11Å
32Y76.1Confident88.5Confident37 Ų3733.6 Ų33.615%0.14521%0.206CC..THydrogen-bonded Turntrans-57.4-21.3177.1-63.6-71.7000114.2G34 E106 F322 P323 P560Y32-G34 VanDerWaalsContact C-N 3.31Å; Y32-E106 HydrophobicContact CE1-CB 4.45Å; Y32-E106 WeakPolarHBondContact CE1-O 3.44Å; Y32-E106 VanDerWaalsContact CZ-O 3.26Å; Y32-E106 PolarHBondContact OH-N 2.92Å; Y32-E106 PolarHBondContact OH-O 3.25Å; Y32-F322 HydrophobicContact CD1-CD1 4.01Å; Y32-F322 AromaticContact CE1-CD1 3.39Å; Y32-F322 HydrophobicContact CE1-CD1 3.39Å; Y32-F322 AromaticContact CE1-CE1 3.93Å; Y32-F322 HydrophobicContact CE1-CE1 3.93Å; Y32-F322 HydrophobicContact CE1-CG 4.39Å; Y32-F322 HydrophobicContact CE2-CD1 4.17Å; Y32-F322 AromaticContact CE2-CE1 3.85Å; Y32-F322 HydrophobicContact CE2-CE1 3.85Å; Y32-F322 AromaticContact CZ-CD1 3.45Å; Y32-F322 VanDerWaalsContact CZ-CD1 3.45Å; Y32-F322 AromaticContact CZ-CE1 3.47Å; Y32-F322 VanDerWaalsContact CZ-CE1 3.47Å; Y32-F322 WeakPolarHBondContact OH-CE1 3.2Å; Y32-P323 HydrophobicContact CD1-CB 4.14Å; Y32-P560 VanDerWaalsContact CD2-CD 3.46Å; Y32-P560 HydrophobicContact CD2-CG 4.02Å
33G71.5Confident88.6Confident61 Ų6131.5 Ų31.563%0.62919%0.193SC*.THydrogen-bonded Turntrans-85.55.7173.600000114.8T31 L35T31-G33 PolarHBondContact O-N 3.34Å; G33-L35 VanDerWaalsContact C-N 3.29Å; G33-L35 PolarHBondContact O-N 3.29Å
34G76Confident88.7Confident53 Ų5329.8 Ų29.855%0.54618%0.184SC..SBendtrans79.33-178.300000115.1T31 Y32T31-G34 PolarHBondContact O-N 3.12Å; Y32-G34 VanDerWaalsContact C-N 3.31Å
35L81.3Confident88.9Confident59 Ų5928.1 Ų28.131%0.30918%0.177SC..  trans-74.4131173.7-179.372.1000109.9T31 G33 L37 A60T31-L35 PolarHBondContact N-O 2.79Å; T31-L35 WeakPolarHBondContact OG1-CB 3.34Å; T31-L35 PolarHBondContact OG1-N 2.95Å; T31-L35 VanDerWaalsContact OG1-N 3.17Å; T31-L35 PolarHBondContact OG1-O 2.99Å; G33-L35 VanDerWaalsContact C-N 3.29Å; G33-L35 PolarHBondContact O-N 3.29Å; L35-L37 HydrophobicContact CD2-CD2 3.61Å; L35-L37 HydrophobicContact CD2-CG 4.21Å; L35-L37 HydrophobicContact CG-CD2 4.13Å; L35-L37 HydrophobicContact CG-CG 4.46Å; L35-A60 HydrophobicContact CD2-CB 3.59Å
36N86.4Confident89.1Confident75 Ų7528.4 Ų28.440%0.40118%0.177SC..EExtended strand (participates in β ladder)trans-91.7115.9170.7-67.6-35.6000109.2V30V30-N36 WeakPolarHBondContact CG2-OD1 3.36Å
37L89.3Confident89.4Confident8 Ų825.4 Ų25.44%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-97.8118.9172.2-64.6175.8000108.5S28 H29 T31 L35 F50 E56 Y74S28-L37 CarbonylContact C-O 3.51Å; S28-L37 VanDerWaalsContact CA-O 3.24Å; S28-L37 WeakPolarHBondContact CA-O 3.46Å; H29-L37 PolarHBondContact N-O 2.69Å; H29-L37 PolarHBondContact O-N 2.76Å; T31-L37 HydrophobicContact CG2-CD1 3.81Å; T31-L37 HydrophobicContact CG2-CG 4.11Å; L35-L37 HydrophobicContact CD2-CD2 3.61Å; L35-L37 HydrophobicContact CD2-CG 4.21Å; L35-L37 HydrophobicContact CG-CD2 4.13Å; L35-L37 HydrophobicContact CG-CG 4.46Å; L37-F50 HydrophobicContact CB-CE1 4.19Å; L37-F50 HydrophobicContact CB-CZ 4.29Å; L37-F50 WeakPolarHBondContact O-CZ 3.39Å; L37-E56 HydrophobicContact CD2-CB 4.17Å; L37-Y74 HydrophobicContact CD1-CD1 3.72Å; L37-Y74 HydrophobicContact CD1-CD2 4.34Å; L37-Y74 HydrophobicContact CD1-CE1 3.81Å; L37-Y74 HydrophobicContact CD1-CE2 4.43Å; L37-Y74 HydrophobicContact CD1-CG 3.99Å
38H91.3Very high89.6Confident85 Ų8525.2 Ų25.239%0.39416%0.16SC..EExtended strand (participates in β ladder)trans-80.1139.8176.3-63.1-65.6000111.5S28 A52 L53 E56S28-H38 PolarHBondContact OG-CE1 3.05Å; S28-H38 VanDerWaalsContact OG-CE1 3.22Å; S28-H38 PolarHBondContact OG-ND1 3.19Å; H38-A52 WeakPolarHBondContact O-CA 3.43Å; H38-L53 HydrophobicContact CB-CD1 4.17Å; H38-L53 PolarHBondContact O-N 3.36Å; H38-E56 HydrophobicContact CB-CG 4.4Å; H38-E56 IonicContact CD2-OE1 3.65Å; H38-E56 IonicContact CD2-OE2 3.57Å; H38-E56 PolarHBondContact N-OE2 2.97Å
39G91Very high89.7Confident4 Ų424.3 Ų24.34%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-173.1-168.7-174.800000115.1A27 I51A27-G39 PolarHBondContact N-O 3.44Å; A27-G39 VanDerWaalsContact N-O 3.09Å; A27-G39 PolarHBondContact O-N 3.21Å; A27-G39 VanDerWaalsContact O-O 3.07Å; G39-I51 CarbonylContact C-O 3.27Å; G39-I51 WeakPolarHBondContact CA-O 3.2Å
40V91.2Very high89.7Confident4 Ų424 Ų242%0.02415%0.152CC..EExtended strand (participates in β ladder)trans-106.4128.4172.9-1790000108.1Y4 L7 L8 H24 C25 L26 F50 I51Y4-V40 HydrophobicContact CD1-CG2 3.89Å; Y4-V40 HydrophobicContact CE1-CG2 4.41Å; L7-V40 HydrophobicContact CB-CG2 4.44Å; L7-V40 HydrophobicContact CD1-CG2 4.02Å; L8-V40 HydrophobicContact CD2-CG1 4.09Å; H24-V40 HydrophobicContact CB-CG1 4.35Å; C25-V40 WeakPolarHBondContact O-CA 3.28Å; L26-V40 HydrophobicContact CD2-CG2 4Å; V40-F50 WeakPolarHBondContact O-CA 3.41Å; V40-I51 PolarHBondContact N-O 2.96Å; V40-I51 PolarHBondContact O-N 3.3Å
41I93.6Very high89.8Confident0 Ų022.2 Ų22.20%014%0.141CC..EExtended strand (participates in β ladder)trans-98.5118.5167.8-167.9174.8000108.3H24 C25 A27 V48 F50 F109 F111 F120H24-I41 CarbonylContact C-O 3.5Å; H24-I41 WeakPolarHBondContact CA-O 3.36Å; H24-I41 WeakPolarHBondContact CB-O 3Å; C25-I41 HydrophobicContact CB-CG2 3.98Å; C25-I41 PolarHBondContact N-O 2.92Å; C25-I41 WeakPolarHBondContact O-CG2 3.12Å; C25-I41 PolarHBondContact O-N 3.35Å; A27-I41 HydrophobicContact CB-CB 4.14Å; A27-I41 HydrophobicContact CB-CG2 3.7Å; I41-V48 HydrophobicContact CD1-CG1 3.68Å; I41-V48 HydrophobicContact CG1-CG1 3.53Å; I41-F50 HydrophobicContact CB-CD2 4.38Å; I41-F109 HydrophobicContact CD1-CB 4.47Å; I41-F109 HydrophobicContact CD1-CD1 3.89Å; I41-F109 HydrophobicContact CD1-CD2 3.95Å; I41-F109 HydrophobicContact CD1-CE1 4.03Å; I41-F109 HydrophobicContact CD1-CE2 4.09Å; I41-F109 HydrophobicContact CD1-CG 3.84Å; I41-F109 HydrophobicContact CD1-CZ 4.11Å; I41-F111 HydrophobicContact CD1-CZ 4.25Å; I41-F111 HydrophobicContact CG2-CE1 3.69Å; I41-F111 HydrophobicContact CG2-CZ 4Å; I41-F120 HydrophobicContact CB-CZ 4.37Å; I41-F120 HydrophobicContact CD1-CE1 3.89Å; I41-F120 HydrophobicContact CD1-CZ 3.85Å; I41-F120 HydrophobicContact CG1-CE1 4.34Å; I41-F120 HydrophobicContact CG1-CZ 3.8Å; I41-F120 HydrophobicContact CG2-CE1 4.16Å; I41-F120 HydrophobicContact CG2-CE2 4.16Å; I41-F120 HydrophobicContact CG2-CZ 3.83Å
42E94.4Very high90Very high3 Ų320.9 Ų20.91%0.01413%0.133CC..EExtended strand (participates in β ladder)trans-105.4131.9176177.9167.7161.700109Y13 K15 R21 T44 V48 V49Y13-E42 PolarHBondContact OH-OE1 2.88Å; K15-E42 VanDerWaalsContact CE-OE1 3.24Å; K15-E42 WeakPolarHBondContact CE-OE1 3.35Å; K15-E42 IonicContact NZ-OE1 2.81Å; K15-E42 PolarHBondContact NZ-OE1 3.38Å; R21-E42 HydrophobicContact CG-CG 4.11Å; R21-E42 IonicContact CZ-OE1 3.7Å; R21-E42 IonicContact CZ-OE2 3.33Å; R21-E42 IonicContact NE-OE1 2.97Å; R21-E42 PolarHBondContact NE-OE1 3.32Å; R21-E42 IonicContact NE-OE2 3.09Å; R21-E42 PolarHBondContact NE-OE2 2.76Å; R21-E42 VanDerWaalsContact NE-OE2 3.09Å; R21-E42 IonicContact NH2-OE1 3.53Å; R21-E42 IonicContact NH2-OE2 2.78Å; R21-E42 PolarHBondContact NH2-OE2 3Å; E42-T44 HydrophobicContact CG-CG2 4.33Å; E42-V48 CarbonylContact O-C 3.5Å; E42-V48 WeakPolarHBondContact O-CA 3.48Å; E42-V49 PolarHBondContact N-O 3.44Å; E42-V49 PolarHBondContact O-N 2.84Å
43L97.1Very high90.5Very high0 Ų020.7 Ų20.70%013%0.134CC..EExtended strand (participates in β ladder)trans-103.2124.7169.4175.264.7000108.5V22 D23 V48 L80 F120 N123 L124V22-L43 HydrophobicContact CB-CD2 4.23Å; V22-L43 HydrophobicContact CB-CG 4.09Å; V22-L43 HydrophobicContact CG1-CD2 3.98Å; V22-L43 HydrophobicContact CG1-CG 4.39Å; V22-L43 PolarHBondContact N-O 3.04Å; D23-L43 HydrophobicContact CB-CB 4.29Å; D23-L43 HydrophobicContact CB-CD2 4.4Å; D23-L43 PolarHBondContact N-O 3.15Å; D23-L43 VanDerWaalsContact N-O 3.12Å; D23-L43 PolarHBondContact O-N 3.41Å; L43-V48 HydrophobicContact CD1-CG2 4.03Å; L43-L80 HydrophobicContact CD1-CD1 4.13Å; L43-L80 HydrophobicContact CD1-CD2 3.81Å; L43-L80 HydrophobicContact CD1-CG 4.49Å; L43-F120 HydrophobicContact CB-CE2 3.68Å; L43-F120 HydrophobicContact CB-CZ 3.99Å; L43-N123 HydrophobicContact CD2-CB 3.69Å; L43-L124 HydrophobicContact CD1-CD1 3.85Å; L43-L124 HydrophobicContact CD2-CB 4.33Å
44T97.1Very high90.5Very high0 Ų020.9 Ų20.90%013%0.125CC..EExtended strand (participates in β ladder)trans-105.7172.8165.172.80000110.1Y13 E19 E20 E42 F46 Q47 L80Y13-T44 WeakPolarHBondContact OH-CG2 3.46Å; E19-T44 HydrophobicContact CG-CG2 4.05Å; E19-T44 WeakPolarHBondContact CG-OG1 3.34Å; E19-T44 WeakPolarHBondContact OE1-CB 3.49Å; E19-T44 VanDerWaalsContact OE1-CG2 3.29Å; E19-T44 WeakPolarHBondContact OE1-CG2 3.38Å; E19-T44 PolarHBondContact OE1-OG1 3.1Å; E20-T44 CarbonylContact O-C 3.51Å; E20-T44 WeakPolarHBondContact O-CA 3.43Å; E20-T44 WeakPolarHBondContact O-CB 3.35Å; E42-T44 HydrophobicContact CG-CG2 4.33Å; T44-F46 PolarHBondContact O-N 3.14Å; T44-F46 VanDerWaalsContact O-N 3.11Å; T44-F46 PolarHBondContact OG1-N 2.87Å; T44-Q47 PolarHBondContact N-O 3.13Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.32Å; T44-Q47 PolarHBondContact OG1-N 3.4Å; T44-Q47 PolarHBondContact OG1-O 3.37Å; T44-L80 WeakPolarHBondContact O-CD1 3.33Å
45N96.5Very high90Very high19 Ų1924.1 Ų24.110%0.10213%0.129CC..SBendtrans-67.1-0.2170.664.4-16.5000113.9G18 E19 E20 V22 Y127 L141G18-N45 PolarHBondContact O-ND2 3.26Å; E19-N45 VanDerWaalsContact CA-OD1 3.29Å; E19-N45 WeakPolarHBondContact CA-OD1 3.49Å; E20-N45 PolarHBondContact N-OD1 3.1Å; E20-N45 PolarHBondContact O-N 2.9Å; E20-N45 PolarHBondContact O-OD1 3.38Å; V22-N45 HydrophobicContact CG2-CB 4.18Å; N45-Y127 HydrophobicContact CB-CD1 3.92Å; N45-Y127 HydrophobicContact CB-CE1 3.75Å; N45-L141 WeakPolarHBondContact ND2-CD1 3.2Å
46F97.4Very high88.9Confident14 Ų1424 Ų246%0.06113%0.127CC..SBendtrans-124.5-37.2178.5175.9-120.3000114.4L16 E19 T44 P79 L80 F138 A486 R488L16-F46 HydrophobicContact CD1-CD1 3.7Å; L16-F46 HydrophobicContact CD1-CE1 3.52Å; L16-F46 HydrophobicContact CD1-CZ 4.19Å; E19-F46 HydrophobicContact CG-CB 4.23Å; T44-F46 PolarHBondContact O-N 3.14Å; T44-F46 VanDerWaalsContact O-N 3.11Å; T44-F46 PolarHBondContact OG1-N 2.87Å; F46-P79 HydrophobicContact CE1-CB 4.42Å; F46-P79 HydrophobicContact CE2-CB 4.3Å; F46-P79 HydrophobicContact CZ-CB 3.98Å; F46-P79 HydrophobicContact CZ-CG 4.35Å; F46-L80 WeakPolarHBondContact O-CB 3.42Å; F46-L80 WeakPolarHBondContact O-CG 3.4Å; F46-L80 PolarHBondContact O-N 3.06Å; F46-F138 HydrophobicContact CB-CB 4.49Å; F46-F138 HydrophobicContact CB-CD1 3.81Å; F46-F138 HydrophobicContact CB-CD2 3.69Å; F46-F138 HydrophobicContact CB-CE1 3.86Å; F46-F138 HydrophobicContact CB-CE2 3.77Å; F46-F138 HydrophobicContact CB-CG 3.7Å; F46-F138 HydrophobicContact CB-CZ 3.85Å; F46-F138 HydrophobicContact CD1-CE1 4.15Å; F46-F138 HydrophobicContact CD2-CB 4.2Å; F46-F138 AromaticContact CD2-CD1 3.08Å; F46-F138 HydrophobicContact CD2-CD1 3.08Å; F46-F138 HydrophobicContact CD2-CD2 4.49Å; F46-F138 AromaticContact CD2-CE1 3.47Å; F46-F138 HydrophobicContact CD2-CE1 3.47Å; F46-F138 VanDerWaalsContact CD2-CE1 3.47Å; F46-F138 AromaticContact CD2-CG 3.67Å; F46-F138 HydrophobicContact CD2-CG 3.67Å; F46-F138 HydrophobicContact CD2-CZ 4.33Å; F46-F138 AromaticContact CE2-CD1 3.76Å; F46-F138 HydrophobicContact CE2-CD1 3.76Å; F46-F138 HydrophobicContact CE2-CE1 4.01Å; F46-F138 AromaticContact CG-CD1 3.56Å; F46-F138 HydrophobicContact CG-CD1 3.56Å; F46-F138 HydrophobicContact CG-CD2 4.38Å; F46-F138 AromaticContact CG-CE1 3.53Å; F46-F138 HydrophobicContact CG-CE1 3.53Å; F46-F138 HydrophobicContact CG-CE2 4.38Å; F46-F138 AromaticContact CG-CG 3.99Å; F46-F138 HydrophobicContact CG-CG 3.99Å; F46-F138 AromaticContact CG-CZ 3.97Å; F46-F138 HydrophobicContact CG-CZ 3.97Å; F46-A486 HydrophobicContact CZ-CB 4.28Å; F46-R488 HydrophobicContact CE2-CB 3.91Å; F46-R488 HydrophobicContact CE2-CG 4.45Å; F46-R488 HydrophobicContact CZ-CB 4.06Å; F46-R488 HydrophobicContact CZ-CG 4.45Å
47Q97.1Very high87.4Confident12 Ų1222.4 Ų22.46%0.05612%0.124CC..EExtended strand (participates in β ladder)trans-149159.9-170.660.6-175.8-36.200112.4E19 T44 V49 L78E19-Q47 VanDerWaalsContact OE1-CG 3.23Å; E19-Q47 WeakPolarHBondContact OE1-CG 3.31Å; E19-Q47 PolarHBondContact OE1-NE2 2.99Å; E19-Q47 PolarHBondContact OE2-NE2 3.28Å; T44-Q47 PolarHBondContact N-O 3.13Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.32Å; T44-Q47 PolarHBondContact OG1-N 3.4Å; T44-Q47 PolarHBondContact OG1-O 3.37Å; Q47-V49 HydrophobicContact CG-CG2 3.81Å; Q47-L78 CarbonylContact C-O 3.49Å; Q47-L78 WeakPolarHBondContact CA-O 3.25Å; Q47-L78 VanDerWaalsContact CB-O 3.26Å; Q47-L78 WeakPolarHBondContact CB-O 3.46Å
48V96.9Very high85.5Confident1 Ų126.2 Ų26.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-92.4133160.4175.80000108.6I41 E42 L43 L78 L80 L124I41-V48 HydrophobicContact CD1-CG1 3.68Å; I41-V48 HydrophobicContact CG1-CG1 3.53Å; E42-V48 CarbonylContact O-C 3.5Å; E42-V48 WeakPolarHBondContact O-CA 3.48Å; L43-V48 HydrophobicContact CD1-CG2 4.03Å; V48-L78 HydrophobicContact CB-CB 4.2Å; V48-L78 HydrophobicContact CB-CD2 4.31Å; V48-L78 PolarHBondContact N-O 3.06Å; V48-L78 PolarHBondContact O-N 3.2Å; V48-L80 HydrophobicContact CG2-CD2 3.92Å; V48-L124 HydrophobicContact CG2-CD1 3.4Å
49V94.4Very high83.3Confident0 Ų026.9 Ų26.90%017%0.166CC..EExtended strand (participates in β ladder)trans-123.1119.4173.5-173.30000109.2Y13 E42 Q47 I51 I75 L76 K77Y13-V49 HydrophobicContact CD1-CG1 3.93Å; Y13-V49 HydrophobicContact CD2-CG2 4.46Å; Y13-V49 HydrophobicContact CE1-CB 4.04Å; Y13-V49 HydrophobicContact CE1-CG1 3.83Å; Y13-V49 HydrophobicContact CE1-CG2 4.02Å; Y13-V49 HydrophobicContact CE2-CG2 3.84Å; Y13-V49 HydrophobicContact CG-CG1 4.47Å; E42-V49 PolarHBondContact N-O 3.44Å; E42-V49 PolarHBondContact O-N 2.84Å; Q47-V49 HydrophobicContact CG-CG2 3.81Å; V49-I51 HydrophobicContact CG1-CD1 4.45Å; V49-I51 HydrophobicContact CG1-CG1 4.01Å; V49-I75 HydrophobicContact CG1-CG2 3.77Å; V49-L76 CarbonylContact C-O 3.56Å; V49-L76 WeakPolarHBondContact CA-O 3.48Å; V49-K77 HydrophobicContact CG1-CG 4.29Å; V49-K77 HydrophobicContact CG2-CG 4.29Å
50F93.1Very high81.3Confident0 Ų027.9 Ų27.90%017%0.174CC..EExtended strand (participates in β ladder)trans-102.7129.3171.3172.7-93.6000110.1H29 L37 V40 I41 A52 Y74 I75 L76 F109H29-F50 HydrophobicContact CB-CD1 3.92Å; H29-F50 HydrophobicContact CB-CD2 4.35Å; H29-F50 HydrophobicContact CB-CE1 3.7Å; H29-F50 HydrophobicContact CB-CE2 4.15Å; H29-F50 HydrophobicContact CB-CG 4.25Å; H29-F50 HydrophobicContact CB-CZ 3.83Å; L37-F50 HydrophobicContact CB-CE1 4.19Å; L37-F50 HydrophobicContact CB-CZ 4.29Å; L37-F50 WeakPolarHBondContact O-CZ 3.39Å; V40-F50 WeakPolarHBondContact O-CA 3.41Å; I41-F50 HydrophobicContact CB-CD2 4.38Å; F50-A52 HydrophobicContact CE1-CB 4.05Å; F50-A52 HydrophobicContact CZ-CB 4.47Å; F50-Y74 HydrophobicContact CD1-CD1 4.05Å; F50-Y74 AromaticContact CD1-CE1 3.9Å; F50-Y74 HydrophobicContact CD1-CE1 3.9Å; F50-Y74 AromaticContact CE1-CD1 3.98Å; F50-Y74 HydrophobicContact CE1-CD1 3.98Å; F50-Y74 HydrophobicContact CE1-CE1 4.05Å; F50-I75 WeakPolarHBondContact O-CA 3.13Å; F50-L76 HydrophobicContact CB-CB 4.23Å; F50-L76 PolarHBondContact N-O 3.26Å; F50-L76 PolarHBondContact O-N 3.16Å; F50-F109 HydrophobicContact CB-CE1 3.72Å; F50-F109 HydrophobicContact CB-CZ 4.18Å; F50-F109 HydrophobicContact CD2-CD1 4.25Å; F50-F109 AromaticContact CD2-CE1 3.84Å; F50-F109 HydrophobicContact CD2-CE1 3.84Å; F50-F109 AromaticContact CG-CE1 3.81Å; F50-F109 HydrophobicContact CG-CE1 3.81Å
51I90.3Very high79Confident3 Ų339.7 Ų39.72%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-121.9113-179.1-52.3165.4000108.1L7 A12 Y13 G39 V40 V49 I75L7-I51 HydrophobicContact CD2-CG2 3.69Å; A12-I51 HydrophobicContact CB-CD1 3.64Å; Y13-I51 HydrophobicContact CD1-CD1 4.45Å; G39-I51 CarbonylContact C-O 3.27Å; G39-I51 WeakPolarHBondContact CA-O 3.2Å; V40-I51 PolarHBondContact N-O 2.96Å; V40-I51 PolarHBondContact O-N 3.3Å; V49-I51 HydrophobicContact CG1-CD1 4.45Å; V49-I51 HydrophobicContact CG1-CG1 4.01Å; I51-I75 HydrophobicContact CG2-CG1 4.35Å
52A88.4Confident76.7Confident1 Ų142.4 Ų42.41%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-68.4147.1177.900000111.6H38 F50 Y74H38-A52 WeakPolarHBondContact O-CA 3.43Å; F50-A52 HydrophobicContact CE1-CB 4.05Å; F50-A52 HydrophobicContact CZ-CB 4.47Å; A52-Y74 HydrophobicContact CB-CD1 4.16Å; A52-Y74 HydrophobicContact CB-CG 4.5Å; A52-Y74 PolarHBondContact N-O 3.08Å
53L85.2Confident74.3Confident33 Ų3345.5 Ų45.517%0.17326%0.255CS..PPolyproline II helixtrans-62.4150172.9-67.7178.1000111Y4 L7 H38 N55 E56Y4-L53 HydrophobicContact CD1-CD2 4.21Å; Y4-L53 HydrophobicContact CE1-CD1 4.35Å; Y4-L53 HydrophobicContact CE1-CD2 3.7Å; L7-L53 HydrophobicContact CD1-CD2 3.62Å; H38-L53 HydrophobicContact CB-CD1 4.17Å; H38-L53 PolarHBondContact O-N 3.36Å; L53-N55 PolarHBondContact O-N 3.3Å; L53-E56 HydrophobicContact CB-CG 4.06Å; L53-E56 PolarHBondContact O-N 3.37Å
54P71.8Confident71.7Confident65 Ų6554.5 Ų54.542%0.42229%0.294SS..THydrogen-bonded Turntrans-53.9139.2169.6-22.433.2000111E56P54-E56 PolarHBondContact O-N 2.86Å
55N66.3Low69Low121 Ų12157.7 Ų57.765%0.64732%0.316SS*.THydrogen-bonded Turntrans82.8-21.2-179.4-52.6-26000117.8L53 A57 S58L53-N55 PolarHBondContact O-N 3.3Å; N55-A57 VanDerWaalsContact C-N 3.34Å; N55-A57 PolarHBondContact O-N 2.95Å; N55-S58 PolarHBondContact O-N 3.44Å; N55-S58 PolarHBondContact O-OG 2.83Å
56E58Low66.4Low57 Ų5760.6 Ų60.627%0.26633%0.328SS..G310 helixtrans-60.6-40.9176.2-72.5-76.1134.300112.5L37 H38 L53 P54 S58 S59L37-E56 HydrophobicContact CD2-CB 4.17Å; H38-E56 HydrophobicContact CB-CG 4.4Å; H38-E56 IonicContact CD2-OE1 3.65Å; H38-E56 IonicContact CD2-OE2 3.57Å; H38-E56 PolarHBondContact N-OE2 2.97Å; L53-E56 HydrophobicContact CB-CG 4.06Å; L53-E56 PolarHBondContact O-N 3.37Å; P54-E56 PolarHBondContact O-N 2.86Å; E56-S58 PolarHBondContact O-N 3.36Å; E56-S59 PolarHBondContact O-N 3.42Å
57A54.1Low63.7Low41 Ų4166.2 Ų66.234%0.33936%0.355SS..G310 helixtrans-68.2-19-179.300000113.8N55N55-A57 VanDerWaalsContact C-N 3.34Å; N55-A57 PolarHBondContact O-N 2.95Å
58S49.7Very low61.1Low87 Ų8768.7 Ų68.761%0.60838%0.383SS*.G310 helixtrans-78.2-23.3-178.1-31.60000112.7N55 E56N55-S58 PolarHBondContact O-N 3.44Å; N55-S58 PolarHBondContact O-OG 2.83Å; E56-S58 PolarHBondContact O-N 3.36Å
59S45.3Very low58.5Low100 Ų10074.6 Ų74.670%0.69943%0.425SS*.SBendtrans-85.9-13.9179.7-171.30000112.7E56 R61E56-S59 PolarHBondContact O-N 3.42Å; S59-R61 PolarHBondContact O-N 3.38Å
60A48.8Very low56.2Low25 Ų2579.9 Ų79.921%0.20745%0.453CS..SBendtrans-63.3130.9177.800000109.8L35 T62L35-A60 HydrophobicContact CD2-CB 3.59Å; A60-T62 PolarHBondContact O-N 3.13Å; A60-T62 PolarHBondContact O-OG1 3.29Å
61R44.2Very low54.1Low251 Ų25191.1 Ų91.195%0.94750%0.495SS*.  trans-65.148.1165.3-64.7-176.1-174.3-168.32111.1S59 P63S59-R61 PolarHBondContact O-N 3.38Å; R61-P63 VanDerWaalsContact O-CD 3.29Å; R61-P63 WeakPolarHBondContact O-CD 3.45Å
62T45.8Very low52.7Low58 Ų5899.1 Ų99.136%0.35653%0.53SS..  trans-60.9118.3162.1-230000105.2A60 K64 F66A60-T62 PolarHBondContact O-N 3.13Å; A60-T62 PolarHBondContact O-OG1 3.29Å; T62-K64 PolarHBondContact O-N 3.23Å; T62-F66 HydrophobicContact CG2-CB 3.47Å; T62-F66 VanDerWaalsContact CG2-CB 3.47Å; T62-F66 HydrophobicContact CG2-CG 4.32Å
63P42.9Very low51.9Low67 Ų67105.1 Ų105.144%0.43555%0.552SS.*  trans-49.8141.1174.9-22.931.4000108.6R61 S65 F66R61-P63 VanDerWaalsContact O-CD 3.29Å; R61-P63 WeakPolarHBondContact O-CD 3.45Å; P63-S65 PolarHBondContact O-N 3.01Å; P63-F66 HydrophobicContact CB-CD2 4.06Å; P63-F66 HydrophobicContact CG-CD2 4.04Å; P63-F66 HydrophobicContact CG-CE2 4.27Å; P63-F66 PolarHBondContact O-N 3.26Å
64K43.6Very low51.7Low190 Ų190107.2 Ų107.283%0.82656%0.558SS**G310 helixtrans-50.3-25.1-176-70.8-178177179.60113.1T62 F66 Q67T62-K64 PolarHBondContact O-N 3.23Å; K64-F66 PolarHBondContact O-N 3.45Å; K64-Q67 PolarHBondContact O-N 3.5Å
65S39Very low52.4Low67 Ų67107.1 Ų107.147%0.46955%0.553SS.*G310 helixtrans-66.1-10.7174.158.60000116.1P63 Q565P63-S65 PolarHBondContact O-N 3.01Å; S65-Q565 VanDerWaalsContact CB-NE2 3.33Å; S65-Q565 PolarHBondContact OG-NE2 2.95Å
66F41.5Very low53.5Low80 Ų80102.5 Ų102.535%0.35153%0.529SS..G310 helixtrans-110.61.8178.8-72.2-87.8000113.4T62 P63 K64 G68 Q565T62-F66 HydrophobicContact CG2-CB 3.47Å; T62-F66 VanDerWaalsContact CG2-CB 3.47Å; T62-F66 HydrophobicContact CG2-CG 4.32Å; P63-F66 HydrophobicContact CB-CD2 4.06Å; P63-F66 HydrophobicContact CG-CD2 4.04Å; P63-F66 HydrophobicContact CG-CE2 4.27Å; P63-F66 PolarHBondContact O-N 3.26Å; K64-F66 PolarHBondContact O-N 3.45Å; F66-G68 PolarHBondContact O-N 3.48Å; F66-G68 VanDerWaalsContact O-N 3.08Å; F66-Q565 HydrophobicContact CD1-CG 4.27Å; F66-Q565 HydrophobicContact CD2-CG 4.36Å; F66-Q565 HydrophobicContact CE1-CB 4.26Å; F66-Q565 HydrophobicContact CE1-CG 3.64Å; F66-Q565 HydrophobicContact CE2-CG 3.74Å; F66-Q565 HydrophobicContact CZ-CB 4.37Å; F66-Q565 HydrophobicContact CZ-CG 3.35Å
67Q42.3Very low55.1Low132 Ų132104.1 Ų104.162%0.61754%0.535SS*.  trans-79.689.7175.8-65.1-175.82.900109.6K64K64-Q67 PolarHBondContact O-N 3.5Å
68G41.3Very low57.1Low63 Ų63102.2 Ų102.265%0.64952%0.519SS*.  trans-66145.8166.300000111F66 D70F66-G68 PolarHBondContact O-N 3.48Å; F66-G68 VanDerWaalsContact O-N 3.08Å; G68-D70 PolarHBondContact O-N 3.34Å
69S43.1Very low59.4Low126 Ų12699.3 Ų99.388%0.88150%0.498SS*.SBendtrans-64.5-16.2-176.753.60000115.1
70D45.7Very low61.9Low110 Ų11094.8 Ų94.859%0.58847%0.466SS*.SBendtrans-94.2122.8171.9-78.1-28.7000110.1G68 K72G68-D70 PolarHBondContact O-N 3.34Å; D70-K72 HydrophobicContact CB-CG 4.04Å; D70-K72 PolarHBondContact O-N 2.83Å
71R49.8Very low64.1Low237 Ų23794 Ų9489%0.89446%0.461SS*.  trans-62.662.3167.9-71.5-178.9174.6176.8-1.7111.5R73R71-R73 PolarHBondContact O-N 3.35Å
72K60.5Low66.6Low171 Ų17182.2 Ų82.274%0.74342%0.417SS*.PPolyproline II helixtrans-68.9119.6173.4-70.4-175.3-179.4176.20107.6D70D70-K72 HydrophobicContact CB-CG 4.04Å; D70-K72 PolarHBondContact O-N 2.83Å
73R71.1Confident69.1Low126 Ų12679.5 Ų79.548%0.47540%0.4SS..PPolyproline II helixtrans-55.4141.9174.3-66.3-179.4-175.5166.1-0.5109.6R71 I75R71-R73 PolarHBondContact O-N 3.35Å; R73-I75 PolarHBondContact O-N 2.93Å
74Y82Confident71.5Confident78 Ų7882.6 Ų82.631%0.30640%0.403SS..PPolyproline II helixtrans-69.7118.1173.9178.1-93.3000109.7H29 L37 F50 A52 L76H29-Y74 AromaticContact CD2-CE1 3.87Å; H29-Y74 PolarHBondContact CD2-OH 3.33Å; H29-Y74 PolarHBondContact NE2-OH 2.8Å; L37-Y74 HydrophobicContact CD1-CD1 3.72Å; L37-Y74 HydrophobicContact CD1-CD2 4.34Å; L37-Y74 HydrophobicContact CD1-CE1 3.81Å; L37-Y74 HydrophobicContact CD1-CE2 4.43Å; L37-Y74 HydrophobicContact CD1-CG 3.99Å; F50-Y74 HydrophobicContact CD1-CD1 4.05Å; F50-Y74 AromaticContact CD1-CE1 3.9Å; F50-Y74 HydrophobicContact CD1-CE1 3.9Å; F50-Y74 AromaticContact CE1-CD1 3.98Å; F50-Y74 HydrophobicContact CE1-CD1 3.98Å; F50-Y74 HydrophobicContact CE1-CE1 4.05Å; A52-Y74 HydrophobicContact CB-CD1 4.16Å; A52-Y74 HydrophobicContact CB-CG 4.5Å; A52-Y74 PolarHBondContact N-O 3.08Å; Y74-L76 HydrophobicContact CE1-CB 4.01Å
75I85.7Confident74Confident62 Ų6275.3 Ų75.332%0.31838%0.376SS..EExtended strand (participates in β ladder)trans-126.4120.3176.8-58.4177000108.2A12 V49 F50 I51 R73 K77A12-I75 WeakPolarHBondContact O-CD1 3.35Å; V49-I75 HydrophobicContact CG1-CG2 3.77Å; F50-I75 WeakPolarHBondContact O-CA 3.13Å; I51-I75 HydrophobicContact CG2-CG1 4.35Å; R73-I75 PolarHBondContact O-N 2.93Å; I75-K77 HydrophobicContact CG2-CG 4.16Å
76L89.7Confident76.7Confident24 Ų2472.8 Ų72.813%0.12636%0.357CS..EExtended strand (participates in β ladder)trans-103.9129.3172.9170.669.7000108.7V49 F50 Y74 L107 F109V49-L76 CarbonylContact C-O 3.56Å; V49-L76 WeakPolarHBondContact CA-O 3.48Å; F50-L76 HydrophobicContact CB-CB 4.23Å; F50-L76 PolarHBondContact N-O 3.26Å; F50-L76 PolarHBondContact O-N 3.16Å; Y74-L76 HydrophobicContact CE1-CB 4.01Å; L76-L107 HydrophobicContact CD1-CD2 4.42Å; L76-L107 HydrophobicContact CD2-CD1 4.09Å; L76-L107 HydrophobicContact CD2-CD2 3.92Å; L76-F109 HydrophobicContact CD2-CE1 4.42Å; L76-F109 HydrophobicContact CD2-CZ 3.84Å
77K91.6Very high79.2Confident91 Ų9172.9 Ų72.940%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-118.9134.8176.9-64-174.3179.6-175.70110.7V49 I75 R105V49-K77 HydrophobicContact CG1-CG 4.29Å; V49-K77 HydrophobicContact CG2-CG 4.29Å; I75-K77 HydrophobicContact CG2-CG 4.16Å; K77-R105 PolarHBondContact O-NH1 3.39Å
78L95.4Very high81.5Confident2 Ų270.7 Ų70.71%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-137.399.2-176173.469.1000109.4Q47 V48 L80 T82 I83 I99 C101 R105 L107Q47-L78 CarbonylContact C-O 3.49Å; Q47-L78 WeakPolarHBondContact CA-O 3.25Å; Q47-L78 VanDerWaalsContact CB-O 3.26Å; Q47-L78 WeakPolarHBondContact CB-O 3.46Å; V48-L78 HydrophobicContact CB-CB 4.2Å; V48-L78 HydrophobicContact CB-CD2 4.31Å; V48-L78 PolarHBondContact N-O 3.06Å; V48-L78 PolarHBondContact O-N 3.2Å; L78-L80 PolarHBondContact O-N 2.92Å; L78-T82 WeakPolarHBondContact CD1-OG1 3.38Å; L78-I83 HydrophobicContact CD2-CD1 4.04Å; L78-I83 HydrophobicContact CD2-CG1 4.06Å; L78-I83 HydrophobicContact CG-CG1 4.33Å; L78-I99 HydrophobicContact CD2-CD1 4.24Å; L78-I99 HydrophobicContact CD2-CG2 4.06Å; L78-C101 VanDerWaalsContact CD1-SG 3.57Å; L78-R105 VanDerWaalsContact CD1-CZ 3.46Å; L78-L107 HydrophobicContact CB-CD1 4.34Å; L78-L107 HydrophobicContact CD1-CD1 3.98Å; L78-L107 HydrophobicContact CD2-CD1 3.77Å; L78-L107 HydrophobicContact CG-CD1 4.25Å
79P97.3Very high83.8Confident25 Ų2572.8 Ų72.816%0.16234%0.342CS..EExtended strand (participates in β ladder)trans-57.9132.7171.6-22.133.4000110.7F46 G81 T82 A486F46-P79 HydrophobicContact CE1-CB 4.42Å; F46-P79 HydrophobicContact CE2-CB 4.3Å; F46-P79 HydrophobicContact CZ-CB 3.98Å; F46-P79 HydrophobicContact CZ-CG 4.35Å; P79-G81 VanDerWaalsContact C-N 3.25Å; P79-G81 PolarHBondContact O-N 3.02Å; P79-T82 HydrophobicContact CB-CG2 4.12Å; P79-T82 HydrophobicContact CG-CG2 4.38Å; P79-T82 WeakPolarHBondContact O-CB 3.46Å; P79-T82 PolarHBondContact O-N 3.04Å; P79-T82 PolarHBondContact O-OG1 3.28Å; P79-A486 HydrophobicContact CB-CB 3.71Å; P79-A486 HydrophobicContact CG-CB 4Å
80L97.8Very high85.9Confident5 Ų571 Ų713%0.02633%0.33CS..G310 helixtrans-60.6-35.3-175-70.3174.8000112.4L43 T44 F46 V48 L78 T82 I83 L124 A128L43-L80 HydrophobicContact CD1-CD1 4.13Å; L43-L80 HydrophobicContact CD1-CD2 3.81Å; L43-L80 HydrophobicContact CD1-CG 4.49Å; T44-L80 WeakPolarHBondContact O-CD1 3.33Å; F46-L80 WeakPolarHBondContact O-CB 3.42Å; F46-L80 WeakPolarHBondContact O-CG 3.4Å; F46-L80 PolarHBondContact O-N 3.06Å; V48-L80 HydrophobicContact CG2-CD2 3.92Å; L78-L80 PolarHBondContact O-N 2.92Å; L80-T82 PolarHBondContact O-N 2.72Å; L80-T82 VanDerWaalsContact O-N 3.12Å; L80-I83 HydrophobicContact CD2-CD1 3.83Å; L80-I83 WeakPolarHBondContact O-CB 3.23Å; L80-I83 WeakPolarHBondContact O-CG1 3.44Å; L80-I83 PolarHBondContact O-N 2.82Å; L80-L124 HydrophobicContact CD2-CD1 3.67Å; L80-A128 HydrophobicContact CD2-CB 4.41Å
81G96.1Very high87.6Confident10 Ų1070.9 Ų70.910%0.10333%0.329CS..G310 helixtrans-59.5-23.7176.800000114P79 I83 K102 Y485P79-G81 VanDerWaalsContact C-N 3.25Å; P79-G81 PolarHBondContact O-N 3.02Å; G81-I83 VanDerWaalsContact C-N 3.29Å; G81-I83 PolarHBondContact O-N 3.38Å; G81-K102 WeakPolarHBondContact O-CD 3.42Å; G81-K102 WeakPolarHBondContact O-CE 3.5Å; G81-K102 PolarHBondContact O-NZ 3.28Å; G81-Y485 CarbonylContact C-O 3.53Å; G81-Y485 VanDerWaalsContact CA-O 3.23Å; G81-Y485 WeakPolarHBondContact CA-O 3.46Å; G81-Y485 VanDerWaalsContact O-O 3.07Å
82T96.9Very high89Confident3 Ų369.4 Ų69.42%0.01833%0.332CS..G310 helixtrans-75.7-16.9176.967.10000112.6L78 P79 L80 R84 C101 K102 R105 Y485L78-T82 WeakPolarHBondContact CD1-OG1 3.38Å; P79-T82 HydrophobicContact CB-CG2 4.12Å; P79-T82 HydrophobicContact CG-CG2 4.38Å; P79-T82 WeakPolarHBondContact O-CB 3.46Å; P79-T82 PolarHBondContact O-N 3.04Å; P79-T82 PolarHBondContact O-OG1 3.28Å; L80-T82 PolarHBondContact O-N 2.72Å; L80-T82 VanDerWaalsContact O-N 3.12Å; T82-R84 PolarHBondContact O-N 2.87Å; T82-C101 CarbonylContact O-C 3.57Å; T82-C101 WeakPolarHBondContact O-CA 3.45Å; T82-C101 WeakPolarHBondContact O-CB 3.29Å; T82-K102 WeakPolarHBondContact O-CG 3.42Å; T82-K102 PolarHBondContact O-N 3.11Å; T82-R105 PolarHBondContact OG1-NH2 3.41Å; T82-Y485 PolarHBondContact N-O 3.17Å
83I97.1Very high89.9Confident1 Ų163.4 Ų63.41%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-70130-178.3-61.5177.5000109.8L78 L80 G81 I86 I99 K102 L124 A128 F129L78-I83 HydrophobicContact CD2-CD1 4.04Å; L78-I83 HydrophobicContact CD2-CG1 4.06Å; L78-I83 HydrophobicContact CG-CG1 4.33Å; L80-I83 HydrophobicContact CD2-CD1 3.83Å; L80-I83 WeakPolarHBondContact O-CB 3.23Å; L80-I83 WeakPolarHBondContact O-CG1 3.44Å; L80-I83 PolarHBondContact O-N 2.82Å; G81-I83 VanDerWaalsContact C-N 3.29Å; G81-I83 PolarHBondContact O-N 3.38Å; I83-I86 HydrophobicContact CG2-CD1 4.01Å; I83-I86 HydrophobicContact CG2-CG1 3.65Å; I83-I99 HydrophobicContact CB-CG2 4.4Å; I83-I99 HydrophobicContact CD1-CG2 4.11Å; I83-I99 HydrophobicContact CG1-CG2 3.84Å; I83-I99 HydrophobicContact CG2-CG2 3.91Å; I83-K102 WeakPolarHBondContact O-CE 3.47Å; I83-L124 HydrophobicContact CD1-CD1 4.09Å; I83-A128 HydrophobicContact CB-CB 4.33Å; I83-A128 HydrophobicContact CD1-CB 4.05Å; I83-A128 HydrophobicContact CG2-CB 4.34Å; I83-F129 HydrophobicContact CG2-CZ 4.14Å
84R94.9Very high90.6Very high132 Ų13260.9 Ų60.950%0.49832%0.315SS..EExtended strand (participates in β ladder)trans-99.3-47.8174.5178.8-176.1173.4-176.1-3.4111.1T82 V100 K102T82-R84 PolarHBondContact O-N 2.87Å; R84-V100 WeakPolarHBondContact CA-O 3.46Å; R84-V100 VanDerWaalsContact CB-O 3.32Å; R84-V100 WeakPolarHBondContact CB-O 3.42Å; R84-V100 PolarHBondContact N-O 3.05Å; R84-K102 HydrophobicContact CB-CG 4.09Å
85S94.5Very high91Very high36 Ų3658 Ų5825%0.25230%0.304SS..EExtended strand (participates in β ladder)trans-146.4155.3178.363.60000111.1I99 V100S85-I99 WeakPolarHBondContact O-CA 3.19Å; S85-V100 PolarHBondContact N-O 3.44Å; S85-V100 PolarHBondContact O-N 3.4Å; S85-V100 VanDerWaalsContact O-N 3.09Å
86I95.7Very high91.2Very high14 Ų1455.7 Ų55.77%0.07229%0.294CS..EExtended strand (participates in β ladder)trans-131.8108.8175.4-57.7161.5000107I83 H98 L124 K125 A128 F129I83-I86 HydrophobicContact CG2-CD1 4.01Å; I83-I86 HydrophobicContact CG2-CG1 3.65Å; I86-H98 WeakPolarHBondContact CA-O 3.41Å; I86-L124 HydrophobicContact CD1-CD2 3.97Å; I86-L124 HydrophobicContact CD1-CG 3.71Å; I86-L124 HydrophobicContact CG2-CD2 4.35Å; I86-K125 HydrophobicContact CB-CG 4.42Å; I86-K125 HydrophobicContact CD1-CG 3.86Å; I86-A128 HydrophobicContact CD1-CB 4.06Å; I86-F129 HydrophobicContact CD1-CE2 4.03Å
87D94Very high91.4Very high82 Ų8254.5 Ų54.544%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-106.4125.6179.1-62.5-64.3000109.8H98D87-H98 HydrophobicContact CB-CB 4.25Å; D87-H98 PolarHBondContact N-O 3.17Å; D87-H98 PolarHBondContact O-N 2.82Å
88Q91.1Very high91.6Very high87 Ų8751.8 Ų51.841%0.40728%0.276SS..EExtended strand (participates in β ladder)trans-102.4128.9178.3-177.2177.5-21.100109.3I95 S96 L97 C121Q88-I95 HydrophobicContact CG-CG2 3.64Å; Q88-S96 WeakPolarHBondContact CA-O 3.47Å; Q88-L97 HydrophobicContact CB-CD2 3.97Å; Q88-L97 HydrophobicContact CG-CD2 3.97Å; Q88-C121 PolarHBondContact OE1-SG 2.89Å
89K89.8Confident91.6Very high106 Ų10651.7 Ų51.746%0.46128%0.276SS..EExtended strand (participates in β ladder)trans-122.4140.4172.5-54.6177.9-176168.40109.2I95 S96K89-I95 CarbonylContact O-C 3.38Å; K89-I95 WeakPolarHBondContact O-CA 3.34Å; K89-S96 PolarHBondContact N-O 3.02Å; K89-S96 PolarHBondContact O-N 3.34Å; K89-S96 PolarHBondContact O-OG 3.27Å
90S86.5Confident91.4Very high90 Ų9051.8 Ų51.863%0.62928%0.276SS*.EExtended strand (participates in β ladder)trans-111.3119.8175.2-176.30000108.7N94S90-N94 WeakPolarHBondContact CA-O 3.39Å
91N82.3Confident91.3Very high107 Ų10751.9 Ų51.957%0.57228%0.277SS*.EExtended strand (participates in β ladder)trans-133.6118.9-179.4-77.8-19.3000109.4G93 N94N91-G93 VanDerWaalsContact C-N 3.27Å; N91-G93 PolarHBondContact O-N 2.85Å; N91-G93 VanDerWaalsContact O-N 3.14Å; N91-N94 PolarHBondContact N-O 2.99Å; N91-N94 PolarHBondContact O-N 3.15Å
92Q78.7Confident91.2Very high205 Ų20553 Ų5396%0.95828%0.279SS*.THydrogen-bonded Turntrans48.842.9171.6-61.1-178.9-12.100114.1N94Q92-N94 VanDerWaalsContact C-N 3.29Å; Q92-N94 PolarHBondContact O-N 3.15Å
93G79.5Confident90.9Very high45 Ų4553.1 Ų53.146%0.46428%0.279SS..THydrogen-bonded Turntrans79.71-179.300000115.5N91 D113N91-G93 VanDerWaalsContact C-N 3.27Å; N91-G93 PolarHBondContact O-N 2.85Å; N91-G93 VanDerWaalsContact O-N 3.14Å; G93-D113 WeakPolarHBondContact O-CB 3.11Å; G93-D113 PolarHBondContact O-N 2.94Å
94N85.8Confident90.5Very high73 Ų7353.3 Ų53.339%0.3928%0.281SS..EExtended strand (participates in β ladder)trans-103.6141.6169.5-69.9-41.8000110.6S90 N91 Q92 V110 F111S90-N94 WeakPolarHBondContact CA-O 3.39Å; N91-N94 PolarHBondContact N-O 2.99Å; N91-N94 PolarHBondContact O-N 3.15Å; Q92-N94 VanDerWaalsContact C-N 3.29Å; Q92-N94 PolarHBondContact O-N 3.15Å; N94-V110 HydrophobicContact CB-CG1 4Å; N94-F111 WeakPolarHBondContact CA-O 3.3Å
95I89.7Confident90.2Very high17 Ų1747.3 Ų47.39%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-104.1125.3173.2-64.1168.4000107.9Q88 K89 F111 T117Q88-I95 HydrophobicContact CG-CG2 3.64Å; K89-I95 CarbonylContact O-C 3.38Å; K89-I95 WeakPolarHBondContact O-CA 3.34Å; I95-F111 PolarHBondContact N-O 2.87Å; I95-F111 WeakPolarHBondContact O-CD2 3.31Å; I95-F111 PolarHBondContact O-N 3Å; I95-T117 HydrophobicContact CB-CG2 3.94Å; I95-T117 HydrophobicContact CD1-CG2 3.89Å; I95-T117 HydrophobicContact CG2-CG2 3.8Å
96S91.8Very high89.9Confident14 Ų1448.2 Ų48.210%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-109.5128.7172.960.50000111.1Q88 K89 F109Q88-S96 WeakPolarHBondContact CA-O 3.47Å; K89-S96 PolarHBondContact N-O 3.02Å; K89-S96 PolarHBondContact O-N 3.34Å; K89-S96 PolarHBondContact O-OG 3.27Å; S96-F109 CarbonylContact C-O 3.6Å; S96-F109 VanDerWaalsContact CA-O 3.27Å; S96-F109 WeakPolarHBondContact CA-O 3.44Å
97L93.8Very high89.8Confident0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-98.4118170.1-60.3-176.6000109.4Q88 V108 F109 F111 F120 C121 L124Q88-L97 HydrophobicContact CB-CD2 3.97Å; Q88-L97 HydrophobicContact CG-CD2 3.97Å; L97-V108 VanDerWaalsContact O-CA 3.32Å; L97-V108 WeakPolarHBondContact O-CA 3.42Å; L97-F109 PolarHBondContact N-O 3Å; L97-F109 PolarHBondContact O-N 3.23Å; L97-F111 HydrophobicContact CB-CE2 4.16Å; L97-F111 HydrophobicContact CD1-CD2 4.42Å; L97-F111 HydrophobicContact CD1-CE2 3.41Å; L97-F111 VanDerWaalsContact CD1-CE2 3.41Å; L97-F111 HydrophobicContact CD1-CZ 3.65Å; L97-F111 HydrophobicContact CG-CD2 4.22Å; L97-F111 HydrophobicContact CG-CE2 3.54Å; L97-F111 HydrophobicContact CG-CZ 4.3Å; L97-F120 HydrophobicContact CD1-CD1 4.4Å; L97-F120 HydrophobicContact CD1-CE1 4.49Å; L97-C121 HydrophobicContact CD2-CB 4.23Å; L97-L124 HydrophobicContact CD1-CD2 4.26Å
98H94.3Very high89.7Confident33 Ų3345.1 Ų45.115%0.15324%0.242CC..EExtended strand (participates in β ladder)trans-99.2115.5171.2-66.8-103.2000108.5I86 D87 V108I86-H98 WeakPolarHBondContact CA-O 3.41Å; D87-H98 HydrophobicContact CB-CB 4.25Å; D87-H98 PolarHBondContact N-O 3.17Å; D87-H98 PolarHBondContact O-N 2.82Å; H98-V108 WeakPolarHBondContact ND1-CG2 3.49Å
99I95.7Very high89.9Confident0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-112.3112.3-177.6-53.5178.6000108.5L78 I83 S85 E106 L107 F109 L124L78-I99 HydrophobicContact CD2-CD1 4.24Å; L78-I99 HydrophobicContact CD2-CG2 4.06Å; I83-I99 HydrophobicContact CB-CG2 4.4Å; I83-I99 HydrophobicContact CD1-CG2 4.11Å; I83-I99 HydrophobicContact CG1-CG2 3.84Å; I83-I99 HydrophobicContact CG2-CG2 3.91Å; S85-I99 WeakPolarHBondContact O-CA 3.19Å; I99-E106 WeakPolarHBondContact O-CA 3.36Å; I99-L107 HydrophobicContact CB-CB 4.4Å; I99-L107 PolarHBondContact N-O 3.42Å; I99-L107 PolarHBondContact O-N 3.43Å; I99-F109 HydrophobicContact CD1-CD2 4Å; I99-F109 HydrophobicContact CD1-CE2 4Å; I99-L124 HydrophobicContact CD1-CD2 3.96Å
100V93.9Very high90.1Very high28 Ų2837.6 Ų37.617%0.1721%0.211CC..EExtended strand (participates in β ladder)trans-96.3133.2174.2-176.90000108.6R84 S85R84-V100 WeakPolarHBondContact CA-O 3.46Å; R84-V100 VanDerWaalsContact CB-O 3.32Å; R84-V100 WeakPolarHBondContact CB-O 3.42Å; R84-V100 PolarHBondContact N-O 3.05Å; S85-V100 PolarHBondContact N-O 3.44Å; S85-V100 PolarHBondContact O-N 3.4Å; S85-V100 VanDerWaalsContact O-N 3.09Å
101C94.8Very high90.3Very high6 Ų633.3 Ų33.34%0.04118%0.181CC..EExtended strand (participates in β ladder)trans-115.6152.2-174.1-49.70000112.1L78 T82 D103 I104 R105L78-C101 VanDerWaalsContact CD1-SG 3.57Å; T82-C101 CarbonylContact O-C 3.57Å; T82-C101 WeakPolarHBondContact O-CA 3.45Å; T82-C101 WeakPolarHBondContact O-CB 3.29Å; C101-D103 WeakPolarHBondContact CB-OD1 3.45Å; C101-D103 PolarHBondContact O-N 3.1Å; C101-I104 PolarHBondContact O-N 3.45Å; C101-R105 HydrophobicContact CB-CB 3.91Å; C101-R105 WeakPolarHBondContact CB-O 3.26Å; C101-R105 PolarHBondContact N-O 3.25Å
102K94.3Very high90.3Very high34 Ų3431.6 Ų31.615%0.14818%0.178CC..THydrogen-bonded Turntrans-68.4-23.7177.3-59.6165.2-174.91700112.6G81 T82 I83 R84 I104 T415 G416 Y485G81-K102 WeakPolarHBondContact O-CD 3.42Å; G81-K102 WeakPolarHBondContact O-CE 3.5Å; G81-K102 PolarHBondContact O-NZ 3.28Å; T82-K102 WeakPolarHBondContact O-CG 3.42Å; T82-K102 PolarHBondContact O-N 3.11Å; I83-K102 WeakPolarHBondContact O-CE 3.47Å; R84-K102 HydrophobicContact CB-CG 4.09Å; K102-I104 VanDerWaalsContact C-N 3.29Å; K102-T415 VanDerWaalsContact CD-O 3.24Å; K102-T415 WeakPolarHBondContact CD-O 3.15Å; K102-T415 WeakPolarHBondContact CE-O 3.17Å; K102-T415 PolarHBondContact NZ-O 3.01Å; K102-G416 WeakPolarHBondContact CE-O 3.35Å; K102-G416 PolarHBondContact NZ-O 3.16Å; K102-Y485 HydrophobicContact CB-CD1 3.58Å; K102-Y485 HydrophobicContact CB-CE1 3.74Å; K102-Y485 HydrophobicContact CB-CG 4.07Å; K102-Y485 HydrophobicContact CD-CD1 3.84Å; K102-Y485 HydrophobicContact CD-CE1 4.37Å; K102-Y485 HydrophobicContact CG-CD1 4.33Å
103D91.1Very high89.7Confident5 Ų526.8 Ų26.83%0.02716%0.159CC..THydrogen-bonded Turntrans-96.229.2177.871.9-19.1000112.7C101 R105 Y485 W558C101-D103 WeakPolarHBondContact CB-OD1 3.45Å; C101-D103 PolarHBondContact O-N 3.1Å; D103-R105 VanDerWaalsContact C-N 3.32Å; D103-R105 VanDerWaalsContact CG-NE 3.34Å; D103-R105 PolarHBondContact O-N 2.97Å; D103-R105 IonicContact OD1-CZ 3.07Å; D103-R105 IonicContact OD1-NE 3.98Å; D103-R105 PolarHBondContact OD1-NE 2.82Å; D103-R105 IonicContact OD1-NH2 2.64Å; D103-R105 IonicContact OD2-CZ 2.94Å; D103-R105 IonicContact OD2-NE 3.86Å; D103-R105 PolarHBondContact OD2-NE 3.34Å; D103-R105 IonicContact OD2-NH2 3.95Å; D103-R105 PolarHBondContact OD2-NH2 2.87Å; D103-Y485 HydrophobicContact CB-CD2 4.2Å; D103-W558 PolarHBondContact O-NE1 2.94Å
104I88.1Confident89.2Confident6 Ų628.1 Ų28.13%0.03116%0.16CC..SBendtrans70.227167.6-41.6177.4000112.4C101 K102 L314 F318 F322 Y554 Y555C101-I104 PolarHBondContact O-N 3.45Å; K102-I104 VanDerWaalsContact C-N 3.29Å; I104-L314 HydrophobicContact CD1-CD1 4.19Å; I104-F318 HydrophobicContact CB-CD2 4.27Å; I104-F318 HydrophobicContact CG2-CB 4.24Å; I104-F318 HydrophobicContact CG2-CD2 3.53Å; I104-F318 HydrophobicContact CG2-CE2 4.36Å; I104-F318 HydrophobicContact CG2-CG 4.35Å; I104-F322 HydrophobicContact CB-CE2 4.37Å; I104-F322 HydrophobicContact CG2-CD2 3.81Å; I104-F322 HydrophobicContact CG2-CE2 3.47Å; I104-F322 VanDerWaalsContact CG2-CE2 3.47Å; I104-F322 WeakPolarHBondContact O-CD2 3.45Å; I104-F322 WeakPolarHBondContact O-CE2 3.34Å; I104-F322 VanDerWaalsContact O-CZ 3.27Å; I104-F322 WeakPolarHBondContact O-CZ 3.42Å; I104-Y554 HydrophobicContact CD1-CE1 4.43Å; I104-Y555 HydrophobicContact CD1-CD1 3.43Å; I104-Y555 VanDerWaalsContact CD1-CD1 3.43Å; I104-Y555 HydrophobicContact CD1-CE1 4.06Å; I104-Y555 HydrophobicContact CD1-CG 4.48Å
105R88.3Confident88.7Confident6 Ų627.8 Ų27.82%0.02317%0.174CC..  trans-101.2143170.9-64.1-177.6-77.7176.3-10.4111.4K77 L78 T82 C101 D103 L107 W558K77-R105 PolarHBondContact O-NH1 3.39Å; L78-R105 VanDerWaalsContact CD1-CZ 3.46Å; T82-R105 PolarHBondContact OG1-NH2 3.41Å; C101-R105 HydrophobicContact CB-CB 3.91Å; C101-R105 WeakPolarHBondContact CB-O 3.26Å; C101-R105 PolarHBondContact N-O 3.25Å; D103-R105 VanDerWaalsContact C-N 3.32Å; D103-R105 VanDerWaalsContact CG-NE 3.34Å; D103-R105 PolarHBondContact O-N 2.97Å; D103-R105 IonicContact OD1-CZ 3.07Å; D103-R105 IonicContact OD1-NE 3.98Å; D103-R105 PolarHBondContact OD1-NE 2.82Å; D103-R105 IonicContact OD1-NH2 2.64Å; D103-R105 IonicContact OD2-CZ 2.94Å; D103-R105 IonicContact OD2-NE 3.86Å; D103-R105 PolarHBondContact OD2-NE 3.34Å; D103-R105 IonicContact OD2-NH2 3.95Å; D103-R105 PolarHBondContact OD2-NH2 2.87Å; R105-L107 HydrophobicContact CB-CG 4.47Å; R105-W558 HydrophobicContact CG-CB 3.76Å; R105-W558 HydrophobicContact CG-CD2 3.89Å; R105-W558 HydrophobicContact CG-CG 3.42Å; R105-W558 VanDerWaalsContact CG-CG 3.42Å
106E89.8Confident88.3Confident55 Ų5534.9 Ų34.926%0.25720%0.199SC..EExtended strand (participates in β ladder)trans-122.2121161.6-174.4176.1-176.200109Y32 I99 F318Y32-E106 HydrophobicContact CE1-CB 4.45Å; Y32-E106 WeakPolarHBondContact CE1-O 3.44Å; Y32-E106 VanDerWaalsContact CZ-O 3.26Å; Y32-E106 PolarHBondContact OH-N 2.92Å; Y32-E106 PolarHBondContact OH-O 3.25Å; I99-E106 WeakPolarHBondContact O-CA 3.36Å; E106-F318 HydrophobicContact CB-CZ 4.07Å
107L92.4Very high87.9Confident5 Ų534.2 Ų34.23%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-120.9129.6-175.9-60.2172.4000109.4L76 L78 I99 R105 F109L76-L107 HydrophobicContact CD1-CD2 4.42Å; L76-L107 HydrophobicContact CD2-CD1 4.09Å; L76-L107 HydrophobicContact CD2-CD2 3.92Å; L78-L107 HydrophobicContact CB-CD1 4.34Å; L78-L107 HydrophobicContact CD1-CD1 3.98Å; L78-L107 HydrophobicContact CD2-CD1 3.77Å; L78-L107 HydrophobicContact CG-CD1 4.25Å; I99-L107 HydrophobicContact CB-CB 4.4Å; I99-L107 PolarHBondContact N-O 3.42Å; I99-L107 PolarHBondContact O-N 3.43Å; R105-L107 HydrophobicContact CB-CG 4.47Å; L107-F109 HydrophobicContact CB-CE2 4.02Å
108V93.2Very high87.5Confident25 Ų2535.8 Ų35.815%0.15221%0.211CC..EExtended strand (participates in β ladder)trans-114.6129.6177-175.60000109.6H29 V30 L97 H98H29-V108 PolarHBondContact ND1-O 3.38Å; V30-V108 HydrophobicContact CB-CB 4.05Å; V30-V108 HydrophobicContact CB-CG1 4.3Å; V30-V108 HydrophobicContact CG2-CB 4.08Å; V30-V108 HydrophobicContact CG2-CG1 3.8Å; V30-V108 PolarHBondContact N-O 3.44Å; L97-V108 VanDerWaalsContact O-CA 3.32Å; L97-V108 WeakPolarHBondContact O-CA 3.42Å; H98-V108 WeakPolarHBondContact ND1-CG2 3.49Å
109F94.7Very high87.4Confident2 Ų235.7 Ų35.71%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-122.7128174.1-64.7-80000110S28 H29 I41 F50 L76 S96 L97 I99 L107 F111S28-F109 CarbonylContact O-C 3.58Å; S28-F109 VanDerWaalsContact O-CA 3.31Å; S28-F109 WeakPolarHBondContact O-CA 3.28Å; H29-F109 HydrophobicContact CB-CD1 4Å; H29-F109 HydrophobicContact CB-CE1 3.81Å; H29-F109 AromaticContact ND1-CE1 3.92Å; I41-F109 HydrophobicContact CD1-CB 4.47Å; I41-F109 HydrophobicContact CD1-CD1 3.89Å; I41-F109 HydrophobicContact CD1-CD2 3.95Å; I41-F109 HydrophobicContact CD1-CE1 4.03Å; I41-F109 HydrophobicContact CD1-CE2 4.09Å; I41-F109 HydrophobicContact CD1-CG 3.84Å; I41-F109 HydrophobicContact CD1-CZ 4.11Å; F50-F109 HydrophobicContact CB-CE1 3.72Å; F50-F109 HydrophobicContact CB-CZ 4.18Å; F50-F109 HydrophobicContact CD2-CD1 4.25Å; F50-F109 AromaticContact CD2-CE1 3.84Å; F50-F109 HydrophobicContact CD2-CE1 3.84Å; F50-F109 AromaticContact CG-CE1 3.81Å; F50-F109 HydrophobicContact CG-CE1 3.81Å; L76-F109 HydrophobicContact CD2-CE1 4.42Å; L76-F109 HydrophobicContact CD2-CZ 3.84Å; S96-F109 CarbonylContact C-O 3.6Å; S96-F109 VanDerWaalsContact CA-O 3.27Å; S96-F109 WeakPolarHBondContact CA-O 3.44Å; L97-F109 PolarHBondContact N-O 3Å; L97-F109 PolarHBondContact O-N 3.23Å; I99-F109 HydrophobicContact CD1-CD2 4Å; I99-F109 HydrophobicContact CD1-CE2 4Å; L107-F109 HydrophobicContact CB-CE2 4.02Å; F109-F111 HydrophobicContact CB-CE2 3.68Å; F109-F111 HydrophobicContact CB-CZ 4.17Å
110V93.5Very high87.2Confident34 Ų3435.7 Ų35.721%0.20622%0.219CC..EExtended strand (participates in β ladder)trans-108.5128.4177.7-176.50000109.4A27 S28 V30 N94A27-V110 CarbonylContact C-O 3.21Å; A27-V110 WeakPolarHBondContact CA-O 3.44Å; S28-V110 PolarHBondContact N-O 3.49Å; S28-V110 PolarHBondContact O-N 3.41Å; V30-V110 HydrophobicContact CG2-CG2 3.72Å; N94-V110 HydrophobicContact CB-CG1 4Å
111F91.4Very high87.1Confident0 Ų034.5 Ų34.50%021%0.211CC..EExtended strand (participates in β ladder)trans-112.3130.7179.4-58.2-106.1000108.4C25 L26 A27 I41 N94 I95 L97 F109 D113 T117 F120C25-F111 HydrophobicContact CB-CD1 4.16Å; C25-F111 HydrophobicContact CB-CE1 3.87Å; L26-F111 VanDerWaalsContact O-CD1 3.32Å; L26-F111 WeakPolarHBondContact O-CD1 3.34Å; A27-F111 HydrophobicContact CB-CD1 3.94Å; A27-F111 HydrophobicContact CB-CE1 3.76Å; A27-F111 HydrophobicContact CB-CE2 4.39Å; A27-F111 HydrophobicContact CB-CG 4.38Å; A27-F111 HydrophobicContact CB-CZ 3.98Å; I41-F111 HydrophobicContact CD1-CZ 4.25Å; I41-F111 HydrophobicContact CG2-CE1 3.69Å; I41-F111 HydrophobicContact CG2-CZ 4Å; N94-F111 WeakPolarHBondContact CA-O 3.3Å; I95-F111 PolarHBondContact N-O 2.87Å; I95-F111 WeakPolarHBondContact O-CD2 3.31Å; I95-F111 PolarHBondContact O-N 3Å; L97-F111 HydrophobicContact CB-CE2 4.16Å; L97-F111 HydrophobicContact CD1-CD2 4.42Å; L97-F111 HydrophobicContact CD1-CE2 3.41Å; L97-F111 VanDerWaalsContact CD1-CE2 3.41Å; L97-F111 HydrophobicContact CD1-CZ 3.65Å; L97-F111 HydrophobicContact CG-CD2 4.22Å; L97-F111 HydrophobicContact CG-CE2 3.54Å; L97-F111 HydrophobicContact CG-CZ 4.3Å; F109-F111 HydrophobicContact CB-CE2 3.68Å; F109-F111 HydrophobicContact CB-CZ 4.17Å; F111-D113 PolarHBondContact O-N 3.12Å; F111-T117 HydrophobicContact CB-CG2 3.6Å; F111-T117 WeakPolarHBondContact CB-OG1 3.38Å; F111-T117 HydrophobicContact CD1-CG2 3.77Å; F111-T117 HydrophobicContact CD2-CG2 3.84Å; F111-T117 HydrophobicContact CE1-CG2 4.37Å; F111-T117 HydrophobicContact CE2-CG2 4.49Å; F111-T117 HydrophobicContact CG-CG2 3.46Å; F111-T117 VanDerWaalsContact CG-CG2 3.46Å; F111-F120 HydrophobicContact CE1-CD1 4.11Å; F111-F120 HydrophobicContact CE1-CE1 4.41Å; F111-F120 HydrophobicContact CZ-CD1 4.04Å; F111-F120 HydrophobicContact CZ-CE1 4.1Å
112S80.8Confident87.1Confident71 Ų7140.9 Ų40.950%0.49724%0.241SC..EExtended strand (participates in β ladder)trans-68.9121.2162.248.20000107.8C114S112-C114 PolarHBondContact O-N 3.39Å; S112-C114 PolarHBondContact O-SG 2.96Å
113D67.9Low87.2Confident104 Ų10441.8 Ų41.856%0.55625%0.247SC*.  trans-58109.6-177.1-175.114000110.8G93 F111 G115G93-D113 WeakPolarHBondContact O-CB 3.11Å; G93-D113 PolarHBondContact O-N 2.94Å; F111-D113 PolarHBondContact O-N 3.12Å; D113-G115 PolarHBondContact OD1-N 2.76Å
114C68.7Low87.5Confident73 Ų7341.6 Ų41.649%0.49325%0.246SC..  trans-127.518.7-179.558.30000111.6S112 R116S112-C114 PolarHBondContact O-N 3.39Å; S112-C114 PolarHBondContact O-SG 2.96Å; C114-R116 PolarHBondContact O-N 3.25Å
115G75.6Confident87.8Confident66 Ų6645.2 Ų45.268%0.6826%0.262SS*.SBendtrans73.7-16.8-177.900000115.7D113D113-G115 PolarHBondContact OD1-N 2.76Å
116R80.9Confident88.1Confident165 Ų16545.6 Ų45.662%0.62327%0.266SS*.  trans-85-22177.5-67.5-169.7177.3-155.9-0.8114.4C114 G118 G119 F120C114-R116 PolarHBondContact O-N 3.25Å; R116-G118 VanDerWaalsContact C-N 3.31Å; R116-G118 PolarHBondContact O-N 2.84Å; R116-G119 PolarHBondContact O-N 3.05Å; R116-F120 PolarHBondContact O-N 3.45Å; R116-F120 VanDerWaalsContact O-N 3.14Å
117T83.6Confident88.4Confident1 Ų145.8 Ų45.81%0.00627%0.265CS..Hα-helixtrans-64.4-34.6-172.4-53.50000113.1I95 F111 F120 C121I95-T117 HydrophobicContact CB-CG2 3.94Å; I95-T117 HydrophobicContact CD1-CG2 3.89Å; I95-T117 HydrophobicContact CG2-CG2 3.8Å; F111-T117 HydrophobicContact CB-CG2 3.6Å; F111-T117 WeakPolarHBondContact CB-OG1 3.38Å; F111-T117 HydrophobicContact CD1-CG2 3.77Å; F111-T117 HydrophobicContact CD2-CG2 3.84Å; F111-T117 HydrophobicContact CE1-CG2 4.37Å; F111-T117 HydrophobicContact CE2-CG2 4.49Å; F111-T117 HydrophobicContact CG-CG2 3.46Å; F111-T117 VanDerWaalsContact CG-CG2 3.46Å; T117-F120 PolarHBondContact O-N 3.42Å; T117-C121 WeakPolarHBondContact O-CB 3.37Å; T117-C121 PolarHBondContact O-N 2.89Å
118G85.5Confident88.6Confident32 Ų3245.9 Ų45.933%0.3327%0.267SS..Hα-helixtrans-58.2-55.217600000111.9R116 F120 C121 E122R116-G118 VanDerWaalsContact C-N 3.31Å; R116-G118 PolarHBondContact O-N 2.84Å; G118-F120 VanDerWaalsContact C-N 3.34Å; G118-F120 PolarHBondContact O-N 2.74Å; G118-C121 PolarHBondContact O-N 3.47Å; G118-C121 VanDerWaalsContact O-N 3.17Å; G118-E122 WeakPolarHBondContact O-CG 3.11Å; G118-E122 PolarHBondContact O-N 3.05Å
119G90.3Very high88.6Confident31 Ų3147.6 Ų47.632%0.3227%0.272SS..Hα-helixtrans-60.8-38.9178.100000113.4R116 C121 E122 N123R116-G119 PolarHBondContact O-N 3.05Å; G119-C121 PolarHBondContact O-N 2.78Å; G119-E122 PolarHBondContact O-N 2.7Å; G119-N123 WeakPolarHBondContact O-CB 3.39Å; G119-N123 PolarHBondContact O-N 2.91Å; G119-N123 PolarHBondContact O-ND2 3.23Å
120F92.9Very high88.4Confident1 Ų148 Ų480%0.00428%0.275CS..Hα-helixtrans-62-43.7175-177.1-88000112.2D23 C25 I41 L43 L97 F111 R116 T117 G118 N123 L124D23-F120 HydrophobicContact CB-CD2 3.93Å; D23-F120 HydrophobicContact CB-CE2 4.34Å; D23-F120 WeakPolarHBondContact OD2-CA 3.4Å; C25-F120 HydrophobicContact CB-CD2 4.15Å; C25-F120 HydrophobicContact CB-CG 4.28Å; I41-F120 HydrophobicContact CB-CZ 4.37Å; I41-F120 HydrophobicContact CD1-CE1 3.89Å; I41-F120 HydrophobicContact CD1-CZ 3.85Å; I41-F120 HydrophobicContact CG1-CE1 4.34Å; I41-F120 HydrophobicContact CG1-CZ 3.8Å; I41-F120 HydrophobicContact CG2-CE1 4.16Å; I41-F120 HydrophobicContact CG2-CE2 4.16Å; I41-F120 HydrophobicContact CG2-CZ 3.83Å; L43-F120 HydrophobicContact CB-CE2 3.68Å; L43-F120 HydrophobicContact CB-CZ 3.99Å; L97-F120 HydrophobicContact CD1-CD1 4.4Å; L97-F120 HydrophobicContact CD1-CE1 4.49Å; F111-F120 HydrophobicContact CE1-CD1 4.11Å; F111-F120 HydrophobicContact CE1-CE1 4.41Å; F111-F120 HydrophobicContact CZ-CD1 4.04Å; F111-F120 HydrophobicContact CZ-CE1 4.1Å; R116-F120 PolarHBondContact O-N 3.45Å; R116-F120 VanDerWaalsContact O-N 3.14Å; T117-F120 PolarHBondContact O-N 3.42Å; G118-F120 VanDerWaalsContact C-N 3.34Å; G118-F120 PolarHBondContact O-N 2.74Å; F120-N123 PolarHBondContact O-N 2.7Å; F120-L124 HydrophobicContact CE1-CD2 4.44Å; F120-L124 WeakPolarHBondContact O-CB 3.49Å; F120-L124 PolarHBondContact O-N 3.33Å
121C92.4Very high88.2Confident2 Ų247 Ų471%0.01427%0.27CS..Hα-helixtrans-65.3-41.4179-175.30000111.9Q88 L97 T117 G118 G119 L124 K125Q88-C121 PolarHBondContact OE1-SG 2.89Å; L97-C121 HydrophobicContact CD2-CB 4.23Å; T117-C121 WeakPolarHBondContact O-CB 3.37Å; T117-C121 PolarHBondContact O-N 2.89Å; G118-C121 PolarHBondContact O-N 3.47Å; G118-C121 VanDerWaalsContact O-N 3.17Å; G119-C121 PolarHBondContact O-N 2.78Å; C121-L124 PolarHBondContact O-N 3.46Å; C121-K125 WeakPolarHBondContact O-CG 3.27Å; C121-K125 PolarHBondContact O-N 3.04Å
122E93.9Very high88Confident140 Ų14052.3 Ų52.365%0.65430%0.297SS*.Hα-helixtrans-62-47.2174.8-71.3177172.900111.5G118 G119 L124 K125 A126G118-E122 WeakPolarHBondContact O-CG 3.11Å; G118-E122 PolarHBondContact O-N 3.05Å; G119-E122 PolarHBondContact O-N 2.7Å; E122-L124 PolarHBondContact O-N 3.29Å; E122-K125 PolarHBondContact O-N 3.06Å; E122-A126 WeakPolarHBondContact O-CB 3.28Å; E122-A126 PolarHBondContact O-N 2.82Å
123N96.2Very high88.5Confident54 Ų5451.2 Ų51.229%0.28929%0.29SS..Hα-helixtrans-60-44.6174.8-78.2-32.2000111.6V22 D23 L43 G119 F120 K125 A126 Y127V22-N123 HydrophobicContact CG1-CB 4.27Å; D23-N123 PolarHBondContact OD2-ND2 2.85Å; L43-N123 HydrophobicContact CD2-CB 3.69Å; G119-N123 WeakPolarHBondContact O-CB 3.39Å; G119-N123 PolarHBondContact O-N 2.91Å; G119-N123 PolarHBondContact O-ND2 3.23Å; F120-N123 PolarHBondContact O-N 2.7Å; N123-K125 PolarHBondContact O-N 2.81Å; N123-A126 PolarHBondContact O-N 2.78Å; N123-Y127 WeakPolarHBondContact O-CD2 3.36Å; N123-Y127 PolarHBondContact O-N 3.2Å
124L97Very high89.4Confident0 Ų052.4 Ų52.40%029%0.29CS..Hα-helixtrans-59-48.4178.4176.562.4000111.4L43 V48 L80 I83 I86 L97 I99 F120 C121 E122 A126 Y127 A128L43-L124 HydrophobicContact CD1-CD1 3.85Å; L43-L124 HydrophobicContact CD2-CB 4.33Å; V48-L124 HydrophobicContact CG2-CD1 3.4Å; L80-L124 HydrophobicContact CD2-CD1 3.67Å; I83-L124 HydrophobicContact CD1-CD1 4.09Å; I86-L124 HydrophobicContact CD1-CD2 3.97Å; I86-L124 HydrophobicContact CD1-CG 3.71Å; I86-L124 HydrophobicContact CG2-CD2 4.35Å; L97-L124 HydrophobicContact CD1-CD2 4.26Å; I99-L124 HydrophobicContact CD1-CD2 3.96Å; F120-L124 HydrophobicContact CE1-CD2 4.44Å; F120-L124 WeakPolarHBondContact O-CB 3.49Å; F120-L124 PolarHBondContact O-N 3.33Å; C121-L124 PolarHBondContact O-N 3.46Å; E122-L124 PolarHBondContact O-N 3.29Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 2.89Å; L124-Y127 PolarHBondContact O-N 3.27Å; L124-A128 WeakPolarHBondContact O-CB 3.31Å; L124-A128 PolarHBondContact O-N 3.4Å
125K95.6Very high90.5Very high82 Ų8252.1 Ų52.136%0.35728%0.28SS..Hα-helixtrans-60.5-41.8176.2-72.9173.5180173.60111.4I86 C121 E122 N123 Y127 A128 F129I86-K125 HydrophobicContact CB-CG 4.42Å; I86-K125 HydrophobicContact CD1-CG 3.86Å; C121-K125 WeakPolarHBondContact O-CG 3.27Å; C121-K125 PolarHBondContact O-N 3.04Å; E122-K125 PolarHBondContact O-N 3.06Å; N123-K125 PolarHBondContact O-N 2.81Å; K125-Y127 PolarHBondContact O-N 3.14Å; K125-A128 PolarHBondContact O-N 3.44Å; K125-F129 VanDerWaalsContact O-CD2 3.31Å; K125-F129 WeakPolarHBondContact O-CD2 3.47Å; K125-F129 PolarHBondContact O-N 3.06Å
126A94.5Very high91.2Very high15 Ų1550.8 Ų50.812%0.12426%0.263CS..Hα-helixtrans-63.9-40.6-178.300000113.5E122 N123 L124 S133 K135E122-A126 WeakPolarHBondContact O-CB 3.28Å; E122-A126 PolarHBondContact O-N 2.82Å; N123-A126 PolarHBondContact O-N 2.78Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 2.89Å; A126-S133 WeakPolarHBondContact CA-OG 3.36Å; A126-S133 WeakPolarHBondContact O-CB 3.22Å; A126-K135 WeakPolarHBondContact O-CG 3.33Å
127Y95.6Very high91.8Very high58 Ų5843.6 Ų43.623%0.22724%0.237CC..Hα-helixtrans-85.9-24.6178.7-76.4-95000113.2V22 N45 N123 L124 K125 K135V22-Y127 HydrophobicContact CB-CE2 4.3Å; V22-Y127 HydrophobicContact CG1-CD2 3.91Å; V22-Y127 HydrophobicContact CG1-CE2 3.43Å; V22-Y127 VanDerWaalsContact CG1-CE2 3.43Å; V22-Y127 HydrophobicContact CG2-CD1 4.24Å; V22-Y127 HydrophobicContact CG2-CD2 4.27Å; V22-Y127 HydrophobicContact CG2-CE1 3.78Å; V22-Y127 HydrophobicContact CG2-CE2 3.86Å; V22-Y127 HydrophobicContact CG2-CG 4.45Å; N45-Y127 HydrophobicContact CB-CD1 3.92Å; N45-Y127 HydrophobicContact CB-CE1 3.75Å; N123-Y127 WeakPolarHBondContact O-CD2 3.36Å; N123-Y127 PolarHBondContact O-N 3.2Å; L124-Y127 PolarHBondContact O-N 3.27Å; K125-Y127 PolarHBondContact O-N 3.14Å; Y127-K135 HydrophobicContact CE1-CD 4.31Å; Y127-K135 HydrophobicContact CE2-CD 4.23Å
128A95.5Very high92.4Very high7 Ų744 Ų446%0.05824%0.239CC..Hα-helixtrans-71-30.7172.400000112.9L80 I83 I86 L124 K125 P130L80-A128 HydrophobicContact CD2-CB 4.41Å; I83-A128 HydrophobicContact CB-CB 4.33Å; I83-A128 HydrophobicContact CD1-CB 4.05Å; I83-A128 HydrophobicContact CG2-CB 4.34Å; I86-A128 HydrophobicContact CD1-CB 4.06Å; L124-A128 WeakPolarHBondContact O-CB 3.31Å; L124-A128 PolarHBondContact O-N 3.4Å; K125-A128 PolarHBondContact O-N 3.44Å; A128-P130 VanDerWaalsContact C-CD 3.43Å; A128-P130 WeakPolarHBondContact O-CD 3.43Å
129F93.7Very high92.9Very high62 Ų6242.5 Ų42.527%0.27222%0.223SC..SBendtrans-123.765-178.4-52.2-66.2000111.7I83 I86 K125 A131 I132 S133I83-F129 HydrophobicContact CG2-CZ 4.14Å; I86-F129 HydrophobicContact CD1-CE2 4.03Å; K125-F129 VanDerWaalsContact O-CD2 3.31Å; K125-F129 WeakPolarHBondContact O-CD2 3.47Å; K125-F129 PolarHBondContact O-N 3.06Å; F129-A131 VanDerWaalsContact C-N 3.3Å; F129-A131 PolarHBondContact O-N 3.37Å; F129-I132 HydrophobicContact CB-CD1 4.17Å; F129-I132 PolarHBondContact O-N 3.19Å; F129-S133 PolarHBondContact O-N 3.49Å
130P91.8Very high93.3Very high11 Ų1141.2 Ų41.27%0.07121%0.209CC..Hα-helixtrans-63.8-30.1-168.125.9-35.7000114.1A128 I132 S133 K134 K135 L137 P418A128-P130 VanDerWaalsContact C-CD 3.43Å; A128-P130 WeakPolarHBondContact O-CD 3.43Å; P130-I132 VanDerWaalsContact C-N 3.3Å; P130-I132 PolarHBondContact O-N 2.77Å; P130-S133 PolarHBondContact O-N 2.86Å; P130-K134 WeakPolarHBondContact O-CA 3.39Å; P130-K134 PolarHBondContact O-N 3.19Å; P130-K135 HydrophobicContact CB-CB 3.85Å; P130-K135 PolarHBondContact O-N 2.77Å; P130-L137 HydrophobicContact CG-CD1 4.41Å; P130-P418 HydrophobicContact CG-CB 3.62Å
131A87.9Confident93.4Very high12 Ų1243.4 Ų43.410%0.09922%0.22CC..Hα-helixtrans-62.3-35.417500000112.7F129 G422 Y424F129-A131 VanDerWaalsContact C-N 3.3Å; F129-A131 PolarHBondContact O-N 3.37Å; A131-G422 WeakPolarHBondContact CB-O 3.48Å; A131-Y424 WeakPolarHBondContact O-CE2 3.46Å
132I88Confident93.7Very high111 Ų11143.7 Ų43.757%0.56922%0.221SC*.Hα-helixtrans-78.5-45.3178.4-64.7168.2000110.1F129 P130 K134 P442F129-I132 HydrophobicContact CB-CD1 4.17Å; F129-I132 PolarHBondContact O-N 3.19Å; P130-I132 VanDerWaalsContact C-N 3.3Å; P130-I132 PolarHBondContact O-N 2.77Å; I132-K134 VanDerWaalsContact C-N 3.31Å; I132-K134 PolarHBondContact O-N 2.78Å; I132-P442 HydrophobicContact CD1-CG 4.08Å; I132-P442 HydrophobicContact CG1-CG 3.81Å
133S90.7Very high93.8Very high49 Ų4937 Ų3734%0.34319%0.19SC..Hα-helixtrans-92.912-172.2-59.50000114.3A126 F129 P130 K135A126-S133 WeakPolarHBondContact CA-OG 3.36Å; A126-S133 WeakPolarHBondContact O-CB 3.22Å; F129-S133 PolarHBondContact O-N 3.49Å; P130-S133 PolarHBondContact O-N 2.86Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.38Å
134K88.1Confident93.8Very high129 Ų12937.2 Ų37.256%0.56120%0.199SC*.THydrogen-bonded Turntrans55.238.1177.1-44.1-164.8174.1-175.30114.4P130 I132 Y424P130-K134 WeakPolarHBondContact O-CA 3.39Å; P130-K134 PolarHBondContact O-N 3.19Å; I132-K134 VanDerWaalsContact C-N 3.31Å; I132-K134 PolarHBondContact O-N 2.78Å; K134-Y424 HydrophobicContact CB-CD1 3.79Å; K134-Y424 HydrophobicContact CB-CD2 3.93Å; K134-Y424 HydrophobicContact CB-CE1 3.75Å; K134-Y424 HydrophobicContact CB-CE2 3.85Å; K134-Y424 HydrophobicContact CB-CG 3.87Å; K134-Y424 HydrophobicContact CD-CD1 4.41Å; K134-Y424 HydrophobicContact CD-CE1 3.58Å; K134-Y424 HydrophobicContact CD-CE2 4.37Å; K134-Y424 WeakPolarHBondContact CD-OH 3.22Å; K134-Y424 WeakPolarHBondContact CE-OH 3.42Å; K134-Y424 HydrophobicContact CG-CD1 4.26Å; K134-Y424 HydrophobicContact CG-CD2 4.26Å; K134-Y424 HydrophobicContact CG-CE1 3.69Å; K134-Y424 HydrophobicContact CG-CE2 3.65Å
135K90.3Very high93.9Very high66 Ų6642.3 Ų42.329%0.28722%0.221SC..PPolyproline II helixtrans-91.4144.4178.8-63.8-61.8-175.6176.30110.8A126 Y127 P130 S133 L137A126-K135 WeakPolarHBondContact O-CG 3.33Å; Y127-K135 HydrophobicContact CE1-CD 4.31Å; Y127-K135 HydrophobicContact CE2-CD 4.23Å; P130-K135 HydrophobicContact CB-CB 3.85Å; P130-K135 PolarHBondContact O-N 2.77Å; S133-K135 VanDerWaalsContact C-N 3.27Å; S133-K135 PolarHBondContact O-N 3.38Å; K135-L137 PolarHBondContact O-N 3.18Å
136A91.5Very high94Very high39 Ų3938.5 Ų38.532%0.32221%0.205SC..BIsolated β-bridgetrans-60.8132.6172.500000110.2F138 L141 Y424 P426A136-F138 PolarHBondContact O-N 2.82Å; A136-L141 HydrophobicContact CB-CD1 4.49Å; A136-L141 HydrophobicContact CB-CD2 4.43Å; A136-Y424 WeakPolarHBondContact CA-O 3.29Å; A136-P426 HydrophobicContact CB-CB 4.44Å
137L93.4Very high94.1Very high13 Ų1341.7 Ų41.77%0.06822%0.219CC..PPolyproline II helixtrans-72129179-179.160.6000111P130 K135 A139 Y140 P418 T419 L493P130-L137 HydrophobicContact CG-CD1 4.41Å; K135-L137 PolarHBondContact O-N 3.18Å; L137-A139 VanDerWaalsContact C-N 3.26Å; L137-A139 HydrophobicContact CD2-CB 4.31Å; L137-A139 HydrophobicContact CG-CB 4.19Å; L137-A139 PolarHBondContact O-N 3.11Å; L137-Y140 HydrophobicContact CB-CD2 4.08Å; L137-Y140 HydrophobicContact CD2-CD2 4.1Å; L137-Y140 HydrophobicContact CD2-CE2 4.12Å; L137-Y140 HydrophobicContact CG-CD2 4.34Å; L137-Y140 PolarHBondContact O-N 3.33Å; L137-Y140 VanDerWaalsContact O-N 3.08Å; L137-P418 HydrophobicContact CD1-CB 3.59Å; L137-P418 HydrophobicContact CD1-CG 3.53Å; L137-P418 HydrophobicContact CD2-CG 4.44Å; L137-T419 HydrophobicContact CD2-CG2 3.82Å; L137-L493 HydrophobicContact CD2-CD1 3.69Å; L137-L493 HydrophobicContact CD2-CD2 3.99Å; L137-L493 HydrophobicContact CD2-CG 4.43Å
138F95.8Very high94.1Very high11 Ų1142.6 Ų42.65%0.04824%0.239CC..Hα-helixtrans-56-36.5-177.2-178.2-103.9000113.7L16 E19 F46 A136 Y140 L141 Y142 R488L16-F138 HydrophobicContact CB-CZ 3.99Å; L16-F138 HydrophobicContact CD1-CE1 4.03Å; L16-F138 HydrophobicContact CD1-CZ 4.16Å; E19-F138 HydrophobicContact CB-CE2 3.88Å; E19-F138 HydrophobicContact CB-CZ 4.05Å; F46-F138 HydrophobicContact CB-CB 4.49Å; F46-F138 HydrophobicContact CB-CD1 3.81Å; F46-F138 HydrophobicContact CB-CD2 3.69Å; F46-F138 HydrophobicContact CB-CE1 3.86Å; F46-F138 HydrophobicContact CB-CE2 3.77Å; F46-F138 HydrophobicContact CB-CG 3.7Å; F46-F138 HydrophobicContact CB-CZ 3.85Å; F46-F138 HydrophobicContact CD1-CE1 4.15Å; F46-F138 HydrophobicContact CD2-CB 4.2Å; F46-F138 AromaticContact CD2-CD1 3.08Å; F46-F138 HydrophobicContact CD2-CD1 3.08Å; F46-F138 HydrophobicContact CD2-CD2 4.49Å; F46-F138 AromaticContact CD2-CE1 3.47Å; F46-F138 HydrophobicContact CD2-CE1 3.47Å; F46-F138 VanDerWaalsContact CD2-CE1 3.47Å; F46-F138 AromaticContact CD2-CG 3.67Å; F46-F138 HydrophobicContact CD2-CG 3.67Å; F46-F138 HydrophobicContact CD2-CZ 4.33Å; F46-F138 AromaticContact CE2-CD1 3.76Å; F46-F138 HydrophobicContact CE2-CD1 3.76Å; F46-F138 HydrophobicContact CE2-CE1 4.01Å; F46-F138 AromaticContact CG-CD1 3.56Å; F46-F138 HydrophobicContact CG-CD1 3.56Å; F46-F138 HydrophobicContact CG-CD2 4.38Å; F46-F138 AromaticContact CG-CE1 3.53Å; F46-F138 HydrophobicContact CG-CE1 3.53Å; F46-F138 HydrophobicContact CG-CE2 4.38Å; F46-F138 AromaticContact CG-CG 3.99Å; F46-F138 HydrophobicContact CG-CG 3.99Å; F46-F138 AromaticContact CG-CZ 3.97Å; F46-F138 HydrophobicContact CG-CZ 3.97Å; A136-F138 PolarHBondContact O-N 2.82Å; F138-Y140 PolarHBondContact O-N 3.05Å; F138-Y140 VanDerWaalsContact O-N 3.15Å; F138-L141 PolarHBondContact O-N 2.94Å; F138-Y142 HydrophobicContact CE1-CD2 4.26Å; F138-Y142 HydrophobicContact CE1-CG 4.23Å; F138-Y142 HydrophobicContact CZ-CD2 4.28Å; F138-Y142 WeakPolarHBondContact O-CB 3.27Å; F138-Y142 PolarHBondContact O-N 2.91Å; F138-R488 HydrophobicContact CE1-CG 4.25Å
139A97Very high94.2Very high0 Ų047.7 Ų47.70%027%0.265CS..Hα-helixtrans-54.5-34.9178.100000113.7L137 G143 R488 L493L137-A139 VanDerWaalsContact C-N 3.26Å; L137-A139 HydrophobicContact CD2-CB 4.31Å; L137-A139 HydrophobicContact CG-CB 4.19Å; L137-A139 PolarHBondContact O-N 3.11Å; A139-G143 WeakPolarHBondContact O-CA 3.38Å; A139-G143 PolarHBondContact O-N 3.34Å; A139-R488 WeakPolarHBondContact CA-O 3.34Å; A139-R488 WeakPolarHBondContact CB-O 3.42Å; A139-L493 HydrophobicContact CB-CD1 3.8Å
140Y96.7Very high94.3Very high3 Ų355.2 Ų55.21%0.01229%0.291CS..Hα-helixtrans-77.3-35.4176.5-74.8-94.7000112.4L137 F138 G143 A144 I423 L425 L493 F494 H503 R508 T509L137-Y140 HydrophobicContact CB-CD2 4.08Å; L137-Y140 HydrophobicContact CD2-CD2 4.1Å; L137-Y140 HydrophobicContact CD2-CE2 4.12Å; L137-Y140 HydrophobicContact CG-CD2 4.34Å; L137-Y140 PolarHBondContact O-N 3.33Å; L137-Y140 VanDerWaalsContact O-N 3.08Å; F138-Y140 PolarHBondContact O-N 3.05Å; F138-Y140 VanDerWaalsContact O-N 3.15Å; Y140-G143 PolarHBondContact O-N 3.32Å; Y140-A144 WeakPolarHBondContact O-CB 3.42Å; Y140-A144 PolarHBondContact O-N 3.2Å; Y140-I423 HydrophobicContact CE2-CD1 4.43Å; Y140-L425 HydrophobicContact CD1-CD2 3.73Å; Y140-L425 HydrophobicContact CD2-CD2 4.11Å; Y140-L425 HydrophobicContact CE1-CD2 3.37Å; Y140-L425 HydrophobicContact CE2-CD2 3.8Å; Y140-L425 HydrophobicContact CG-CD2 4.08Å; Y140-L425 VanDerWaalsContact CZ-CD2 3.41Å; Y140-L493 HydrophobicContact CE2-CD1 4.28Å; Y140-F494 WeakPolarHBondContact OH-CZ 3.28Å; Y140-H503 PolarHBondContact OH-O 3.48Å; Y140-R508 HydrophobicContact CD1-CB 3.61Å; Y140-R508 HydrophobicContact CE1-CB 3.69Å; Y140-R508 HydrophobicContact CE1-CG 4.5Å; Y140-T509 HydrophobicContact CD1-CG2 3.73Å; Y140-T509 HydrophobicContact CD2-CG2 3.95Å; Y140-T509 HydrophobicContact CE1-CG2 3.75Å; Y140-T509 HydrophobicContact CE2-CG2 3.96Å; Y140-T509 HydrophobicContact CG-CG2 3.85Å
141L96.2Very high94.5Very high48 Ų4858 Ų5825%0.25131%0.308SS..Hα-helixtrans-67.2-45.8174.8-58.6179.1000110.9N45 A136 F138 K145 P426N45-L141 WeakPolarHBondContact ND2-CD1 3.2Å; A136-L141 HydrophobicContact CB-CD1 4.49Å; A136-L141 HydrophobicContact CB-CD2 4.43Å; F138-L141 PolarHBondContact O-N 2.94Å; L141-K145 WeakPolarHBondContact O-CG 3.39Å; L141-K145 PolarHBondContact O-N 3.49Å; L141-K145 VanDerWaalsContact O-N 3.17Å; L141-P426 HydrophobicContact CD2-CB 4.26Å; L141-P426 HydrophobicContact CD2-CG 4.31Å
142Y97.4Very high94.8Very high8 Ų858.9 Ų58.93%0.03131%0.31CS..Hα-helixtrans-60.3-46.8173.4178.6-104.6000111L16 P17 F138 K145 C146 F152 R488 F489 I510L16-Y142 HydrophobicContact CB-CD2 4.36Å; L16-Y142 HydrophobicContact CB-CE2 4.43Å; P17-Y142 HydrophobicContact CB-CD2 4.17Å; P17-Y142 HydrophobicContact CB-CE2 4.31Å; P17-Y142 HydrophobicContact CG-CD2 4.47Å; P17-Y142 HydrophobicContact CG-CE2 4.12Å; P17-Y142 WeakPolarHBondContact O-CD2 3.45Å; F138-Y142 HydrophobicContact CE1-CD2 4.26Å; F138-Y142 HydrophobicContact CE1-CG 4.23Å; F138-Y142 HydrophobicContact CZ-CD2 4.28Å; F138-Y142 WeakPolarHBondContact O-CB 3.27Å; F138-Y142 PolarHBondContact O-N 2.91Å; Y142-K145 PolarHBondContact O-N 3.35Å; Y142-C146 WeakPolarHBondContact CE2-SG 3.35Å; Y142-C146 WeakPolarHBondContact O-CB 3.42Å; Y142-C146 PolarHBondContact O-N 2.78Å; Y142-C146 PolarHBondContact O-SG 2.89Å; Y142-F152 HydrophobicContact CE1-CE2 4.38Å; Y142-F152 WeakPolarHBondContact OH-CE2 3.43Å; Y142-F152 VanDerWaalsContact OH-CZ 3.27Å; Y142-F152 WeakPolarHBondContact OH-CZ 3.3Å; Y142-R488 HydrophobicContact CD1-CG 4.1Å; Y142-R488 HydrophobicContact CE1-CG 4.22Å; Y142-R488 HydrophobicContact CG-CG 4.34Å; Y142-F489 HydrophobicContact CE1-CD1 4.06Å; Y142-F489 AromaticContact CE1-CE1 3.67Å; Y142-F489 HydrophobicContact CE1-CE1 3.67Å; Y142-I510 HydrophobicContact CE1-CB 4.19Å; Y142-I510 HydrophobicContact CE1-CG1 4.28Å
143G97.2Very high95.1Very high0 Ų058.5 Ų58.50%032%0.323CS..Hα-helixtrans-50.4-60.1173.600000113.1A139 Y140 K145 C146 I147A139-G143 WeakPolarHBondContact O-CA 3.38Å; A139-G143 PolarHBondContact O-N 3.34Å; Y140-G143 PolarHBondContact O-N 3.32Å; G143-K145 VanDerWaalsContact C-N 3.3Å; G143-K145 PolarHBondContact O-N 3.02Å; G143-C146 PolarHBondContact O-N 2.98Å; G143-C146 VanDerWaalsContact O-N 3.12Å; G143-I147 WeakPolarHBondContact O-CB 3.47Å; G143-I147 VanDerWaalsContact O-CG1 3.28Å; G143-I147 WeakPolarHBondContact O-CG1 3.15Å; G143-I147 PolarHBondContact O-N 3.27Å
144A96.7Very high95.2Very high58 Ų5862.1 Ų62.148%0.47934%0.339SS..Hα-helixtrans-55-44.3-179.600000112.6Y140 A148Y140-A144 WeakPolarHBondContact O-CB 3.42Å; Y140-A144 PolarHBondContact O-N 3.2Å; A144-A148 VanDerWaalsContact O-CB 3.24Å; A144-A148 WeakPolarHBondContact O-CB 3.47Å; A144-A148 PolarHBondContact O-N 3.14Å
145K97.4Very high95.6Very high106 Ų10659.9 Ų59.946%0.46133%0.333SS..Hα-helixtrans-70.8-36.2178.8-67.2-67.9-174-178.30112.7P17 L141 Y142 G143 N149P17-K145 HydrophobicContact CB-CB 3.71Å; L141-K145 WeakPolarHBondContact O-CG 3.39Å; L141-K145 PolarHBondContact O-N 3.49Å; L141-K145 VanDerWaalsContact O-N 3.17Å; Y142-K145 PolarHBondContact O-N 3.35Å; G143-K145 VanDerWaalsContact C-N 3.3Å; G143-K145 PolarHBondContact O-N 3.02Å; K145-N149 WeakPolarHBondContact O-CB 3.43Å; K145-N149 PolarHBondContact O-N 3.33Å; K145-N149 PolarHBondContact O-ND2 2.98Å
146C97.8Very high95.9Very high2 Ų257 Ų571%0.01432%0.321CS..Hα-helixtrans-71.8-41.9178.9-69.40000112.2Y142 G143 N149 R150 V151 F152 I510Y142-C146 WeakPolarHBondContact CE2-SG 3.35Å; Y142-C146 WeakPolarHBondContact O-CB 3.42Å; Y142-C146 PolarHBondContact O-N 2.78Å; Y142-C146 PolarHBondContact O-SG 2.89Å; G143-C146 PolarHBondContact O-N 2.98Å; G143-C146 VanDerWaalsContact O-N 3.12Å; C146-N149 PolarHBondContact O-N 3.43Å; C146-R150 WeakPolarHBondContact O-CA 3.41Å; C146-R150 PolarHBondContact O-N 3.17Å; C146-V151 HydrophobicContact CB-CB 3.99Å; C146-V151 HydrophobicContact CB-CG2 4.13Å; C146-V151 PolarHBondContact O-N 3.23Å; C146-F152 HydrophobicContact CB-CD2 4.36Å; C146-F152 HydrophobicContact CB-CE2 4.25Å; C146-I510 HydrophobicContact CB-CD1 3.92Å; C146-I510 HydrophobicContact CB-CG1 3.6Å
147I96.5Very high96.2Very high83 Ų8355.7 Ų55.743%0.42631%0.308SS..Hα-helixtrans-63.3-51.4176.8-66.9166.7000110G143 N149 R150 I510G143-I147 WeakPolarHBondContact O-CB 3.47Å; G143-I147 VanDerWaalsContact O-CG1 3.28Å; G143-I147 WeakPolarHBondContact O-CG1 3.15Å; G143-I147 PolarHBondContact O-N 3.27Å; I147-N149 PolarHBondContact O-N 3.46Å; I147-R150 PolarHBondContact O-N 2.82Å; I147-R150 VanDerWaalsContact O-N 3.13Å; I147-I510 HydrophobicContact CG1-CD1 3.87Å
148A96.6Very high96.4Very high77 Ų7760.5 Ų60.564%0.63633%0.334SS*.Hα-helixtrans-58.9-36.5-179.200000112.9A144A144-A148 VanDerWaalsContact O-CB 3.24Å; A144-A148 WeakPolarHBondContact O-CB 3.47Å; A144-A148 PolarHBondContact O-N 3.14Å
149N97Very high96.5Very high113 Ų11360.8 Ų60.860%0.60434%0.337SS*.THydrogen-bonded Turntrans-96.76.1-178.5-62.6-50.3000113.8K145 C146 I147 V151K145-N149 WeakPolarHBondContact O-CB 3.43Å; K145-N149 PolarHBondContact O-N 3.33Å; K145-N149 PolarHBondContact O-ND2 2.98Å; C146-N149 PolarHBondContact O-N 3.43Å; I147-N149 PolarHBondContact O-N 3.46Å; N149-V151 HydrophobicContact CB-CG2 4.02Å; N149-V151 PolarHBondContact O-N 3.41Å
150R95.8Very high96.6Very high220 Ų22061.4 Ų61.483%0.8334%0.339SS*.THydrogen-bonded Turntrans46.647.3-176.6-56.9-179-174.9174.40.2112.6C146 I147 F152C146-R150 WeakPolarHBondContact O-CA 3.41Å; C146-R150 PolarHBondContact O-N 3.17Å; I147-R150 PolarHBondContact O-N 2.82Å; I147-R150 VanDerWaalsContact O-N 3.13Å; R150-F152 PolarHBondContact O-N 3.08Å
151V95.4Very high96.6Very high70 Ų7064.2 Ų64.242%0.42435%0.354SS..  trans-61.8-34.4-175.2171.60000111.7C146 N149C146-V151 HydrophobicContact CB-CB 3.99Å; C146-V151 HydrophobicContact CB-CG2 4.13Å; C146-V151 PolarHBondContact O-N 3.23Å; N149-V151 HydrophobicContact CB-CG2 4.02Å; N149-V151 PolarHBondContact O-N 3.41Å
152F95.7Very high96.7Very high31 Ų3163.1 Ų63.114%0.13635%0.35CS..SBendtrans-109.4136.4176.8-59.3-74.1000109.7Y142 C146 R150 I510 A514 Y515 A518Y142-F152 HydrophobicContact CE1-CE2 4.38Å; Y142-F152 WeakPolarHBondContact OH-CE2 3.43Å; Y142-F152 VanDerWaalsContact OH-CZ 3.27Å; Y142-F152 WeakPolarHBondContact OH-CZ 3.3Å; C146-F152 HydrophobicContact CB-CD2 4.36Å; C146-F152 HydrophobicContact CB-CE2 4.25Å; R150-F152 PolarHBondContact O-N 3.08Å; F152-I510 HydrophobicContact CD2-CD1 4.11Å; F152-I510 HydrophobicContact CD2-CG1 4.13Å; F152-I510 HydrophobicContact CD2-CG2 3.76Å; F152-I510 HydrophobicContact CE2-CB 4.43Å; F152-I510 HydrophobicContact CE2-CG1 4.13Å; F152-I510 HydrophobicContact CE2-CG2 3.66Å; F152-I510 HydrophobicContact CZ-CG2 4.45Å; F152-A514 HydrophobicContact CB-CB 4.18Å; F152-A514 HydrophobicContact CD1-CB 4.38Å; F152-A514 WeakPolarHBondContact CD1-O 3.4Å; F152-A514 HydrophobicContact CD2-CB 4.42Å; F152-A514 HydrophobicContact CG-CB 4.06Å; F152-Y515 HydrophobicContact CE1-CD2 4.11Å; F152-Y515 HydrophobicContact CZ-CD2 4.16Å; F152-A518 HydrophobicContact CD1-CB 4.02Å; F152-A518 HydrophobicContact CE1-CB 4.34Å
153A93.4Very high96.8Very high103 Ų10366.7 Ų66.785%0.85137%0.367SS*.SBendtrans-72.2-35.2-177.400000112.8
154N93.5Very high96.8Very high125 Ų12572 Ų7267%0.66839%0.392SS*.SBendtrans-116.1145.7-178.9-59-29.6000109.7G156N154-G156 PolarHBondContact O-N 2.91Å
155D95.5Very high96.9Very high81 Ų8169.6 Ų69.643%0.43337%0.371SS..  trans-76.3112.5167.9-167.6-13.9000109.2W157 D158D155-W157 PolarHBondContact O-N 3.07Å; D155-W157 WeakPolarHBondContact OD1-CB 3.49Å; D155-W157 PolarHBondContact OD1-N 3.43Å; D155-D158 WeakPolarHBondContact O-CB 3.49Å; D155-D158 PolarHBondContact O-N 3.13Å
156G97.3Very high97Very high5 Ų564.7 Ų64.75%0.05235%0.349CS..G310 helixtrans-70.7-12.6179.400000113.2N154 D158 V159 S511N154-G156 PolarHBondContact O-N 2.91Å; G156-D158 PolarHBondContact O-N 2.89Å; G156-V159 WeakPolarHBondContact O-CG1 3.37Å; G156-V159 PolarHBondContact O-N 2.48Å; G156-S511 WeakPolarHBondContact CA-OG 3.44Å; G156-S511 PolarHBondContact O-OG 2.87Å
157W97.9Very high97Very high13 Ų1370.4 Ų70.45%0.04938%0.376CS..G310 helixtrans-64.5-25.6171.2-68.7117.6000112.1D155 V159 V505 R506 T509 S511D155-W157 PolarHBondContact O-N 3.07Å; D155-W157 WeakPolarHBondContact OD1-CB 3.49Å; D155-W157 PolarHBondContact OD1-N 3.43Å; W157-V159 PolarHBondContact O-N 3.41Å; W157-V505 HydrophobicContact CH2-CG1 4.31Å; W157-V505 HydrophobicContact CH2-CG2 4.18Å; W157-V505 HydrophobicContact CZ2-CG2 4.18Å; W157-R506 VanDerWaalsContact CD1-O 3.25Å; W157-R506 HydrophobicContact CD2-CB 4.11Å; W157-R506 HydrophobicContact CD2-CG 3.8Å; W157-R506 HydrophobicContact CE3-CG 3.88Å; W157-R506 HydrophobicContact CG-CB 4.1Å; W157-R506 HydrophobicContact CG-CG 4.19Å; W157-R506 HydrophobicContact CZ3-CG 4.26Å; W157-R506 PolarHBondContact NE1-O 3.23Å; W157-R506 VanDerWaalsContact NE1-O 3.17Å; W157-R506 PolarHBondContact O-NH2 3.46Å; W157-T509 WeakPolarHBondContact CZ2-OG1 3.23Å; W157-T509 PolarHBondContact NE1-O 2.89Å; W157-S511 PolarHBondContact N-OG 3.14Å
158D97.3Very high97Very high114 Ų11469.9 Ų69.961%0.6137%0.368SS*.G310 helixtrans-72.4-4.3179.5-65-23.1000113.3D155 G156 Y160D155-D158 WeakPolarHBondContact O-CB 3.49Å; D155-D158 PolarHBondContact O-N 3.13Å; G156-D158 PolarHBondContact O-N 2.89Å; D158-Y160 PolarHBondContact O-N 2.83Å
159V97.9Very high97.1Very high17 Ų1766.6 Ų66.610%0.10334%0.34CS..G310 helixtrans-60.1-31.6178.175.80000112.2G156 W157 R394 E397 V398 E401 W513G156-V159 WeakPolarHBondContact O-CG1 3.37Å; G156-V159 PolarHBondContact O-N 2.48Å; W157-V159 PolarHBondContact O-N 3.41Å; V159-R394 HydrophobicContact CG2-CG 4.24Å; V159-E397 HydrophobicContact CG1-CB 4.35Å; V159-E397 HydrophobicContact CG2-CB 3.75Å; V159-E397 WeakPolarHBondContact CG2-OE2 3.11Å; V159-V398 HydrophobicContact CG2-CG2 4.29Å; V159-V398 WeakPolarHBondContact O-CG2 3.48Å; V159-E401 HydrophobicContact CG1-CG 4.21Å; V159-W513 HydrophobicContact CG1-CB 4.32Å; V159-W513 HydrophobicContact CG1-CG 3.92Å
160Y98.5Very high97.1Very high12 Ų1265.1 Ų65.15%0.04733%0.332CS..  trans-124.7121.3-176.3175.6-119.8000112.1D158 E165 V398 E401 K402 S406D158-Y160 PolarHBondContact O-N 2.83Å; Y160-E165 HydrophobicContact CD2-CB 4.41Å; Y160-E165 HydrophobicContact CE2-CB 3.99Å; Y160-E165 HydrophobicContact CE2-CG 4.23Å; Y160-V398 HydrophobicContact CD2-CG1 3.97Å; Y160-V398 HydrophobicContact CE2-CG1 4.49Å; Y160-E401 HydrophobicContact CD1-CB 3.67Å; Y160-E401 HydrophobicContact CG-CB 3.7Å; Y160-K402 HydrophobicContact CD2-CB 4.39Å; Y160-K402 HydrophobicContact CE1-CB 4.48Å; Y160-K402 HydrophobicContact CE2-CB 3.7Å; Y160-K402 HydrophobicContact CE2-CD 4.46Å; Y160-K402 HydrophobicContact CE2-CG 4.22Å; Y160-S406 WeakPolarHBondContact CE1-OG 3.48Å
161N98.3Very high97.2Very high62 Ų6254.7 Ų54.733%0.33229%0.292SS..  trans-126.1123.2165.4178.8-39.1000108E163 E164 E165N161-E163 VanDerWaalsContact C-N 3.31Å; N161-E163 PolarHBondContact O-N 2.79Å; N161-E163 PolarHBondContact OD1-N 2.92Å; N161-E164 HydrophobicContact CB-CB 4.02Å; N161-E164 HydrophobicContact CB-CG 3.88Å; N161-E164 PolarHBondContact O-N 3.25Å; N161-E164 PolarHBondContact OD1-N 3.44Å; N161-E165 WeakPolarHBondContact O-CB 3.44Å; N161-E165 PolarHBondContact O-N 3.31Å
162P98.2Very high97.2Very high26 Ų2655.4 Ų55.417%0.16929%0.29CS..Hα-helixtrans-61.6-37.5-176.723.6-33.3000112.8E165 Y166 V194P162-E165 PolarHBondContact O-N 3.47Å; P162-Y166 HydrophobicContact CB-CE2 4.48Å; P162-Y166 WeakPolarHBondContact O-CD2 3.21Å; P162-Y166 PolarHBondContact O-N 3.33Å; P162-V194 HydrophobicContact CB-CB 4.07Å; P162-V194 HydrophobicContact CB-CG1 4.29Å; P162-V194 HydrophobicContact CG-CB 4.02Å; P162-V194 HydrophobicContact CG-CG1 4.49Å; P162-V194 HydrophobicContact CG-CG2 4.09Å
163E98.2Very high97.1Very high82 Ų8259.1 Ų59.138%0.38332%0.315SS..Hα-helixtrans-69.3-42-179.5-60.6-171.9-171.200111.2N161 E165 Y166 H167 I178 K180 V194N161-E163 VanDerWaalsContact C-N 3.31Å; N161-E163 PolarHBondContact O-N 2.79Å; N161-E163 PolarHBondContact OD1-N 2.92Å; E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 2.74Å; E163-Y166 PolarHBondContact O-N 2.76Å; E163-H167 VanDerWaalsContact O-CB 3.29Å; E163-H167 WeakPolarHBondContact O-CB 3.42Å; E163-H167 PolarHBondContact O-N 2.98Å; E163-I178 HydrophobicContact CB-CD1 4.12Å; E163-I178 HydrophobicContact CG-CD1 3.91Å; E163-K180 WeakPolarHBondContact OE1-CE 3.4Å; E163-K180 IonicContact OE1-NZ 2.7Å; E163-K180 PolarHBondContact OE1-NZ 2.89Å; E163-V194 HydrophobicContact CG-CG1 4.46Å
164E98.4Very high97.2Very high112 Ų11255.3 Ų55.352%0.52328%0.281SS..Hα-helixtrans-63.1-40.2174.4-67-179.2-170.300111.8N161 H167 R168N161-E164 HydrophobicContact CB-CB 4.02Å; N161-E164 HydrophobicContact CB-CG 3.88Å; N161-E164 PolarHBondContact O-N 3.25Å; N161-E164 PolarHBondContact OD1-N 3.44Å; E164-H167 WeakPolarHBondContact O-CB 3.5Å; E164-H167 PolarHBondContact O-N 3.03Å; E164-R168 WeakPolarHBondContact O-CB 3.44Å; E164-R168 PolarHBondContact O-N 2.65Å
165E98.5Very high97.3Very high8 Ų851.2 Ų51.24%0.03727%0.268CS..Hα-helixtrans-70.8-35.9-179.8176.350.1-160.100112.5Y160 N161 P162 E163 R168 Q169 Y390 V398 K402Y160-E165 HydrophobicContact CD2-CB 4.41Å; Y160-E165 HydrophobicContact CE2-CB 3.99Å; Y160-E165 HydrophobicContact CE2-CG 4.23Å; N161-E165 WeakPolarHBondContact O-CB 3.44Å; N161-E165 PolarHBondContact O-N 3.31Å; P162-E165 PolarHBondContact O-N 3.47Å; E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 2.74Å; E165-R168 IonicContact OE1-CZ 3.27Å; E165-R168 IonicContact OE1-NE 3.53Å; E165-R168 IonicContact OE1-NH2 3.39Å; E165-R168 PolarHBondContact OE1-NH2 2.84Å; E165-R168 IonicContact OE2-CZ 3.19Å; E165-R168 IonicContact OE2-NE 2.77Å; E165-R168 PolarHBondContact OE2-NE 2.88Å; E165-R168 IonicContact OE2-NH2 2.77Å; E165-Q169 WeakPolarHBondContact O-CG 3.35Å; E165-Q169 PolarHBondContact O-N 3.25Å; E165-Q169 PolarHBondContact O-NE2 3.27Å; E165-Q169 PolarHBondContact OE1-NE2 2.85Å; E165-Y390 WeakPolarHBondContact OE1-CE1 3.39Å; E165-Y390 VanDerWaalsContact OE1-CZ 3.31Å; E165-Y390 PolarHBondContact OE1-OH 3.23Å; E165-V398 HydrophobicContact CB-CG1 4.46Å; E165-V398 HydrophobicContact CG-CG1 3.96Å; E165-K402 HydrophobicContact CG-CD 3.82Å; E165-K402 IonicContact OE1-NZ 3.07Å
166Y98.5Very high97.4Very high2 Ų247.4 Ų47.41%0.00825%0.248CC..Hα-helixtrans-71.1-33.8170.3-74.3-50.6000112.2P162 E163 Q169 N170 I171 I178 V194 A196 L221P162-Y166 HydrophobicContact CB-CE2 4.48Å; P162-Y166 WeakPolarHBondContact O-CD2 3.21Å; P162-Y166 PolarHBondContact O-N 3.33Å; E163-Y166 PolarHBondContact O-N 2.76Å; Y166-Q169 PolarHBondContact O-N 3.32Å; Y166-N170 PolarHBondContact O-N 3.23Å; Y166-I171 HydrophobicContact CD1-CD1 3.98Å; Y166-I171 HydrophobicContact CD1-CG2 4.39Å; Y166-I171 HydrophobicContact CG-CD1 3.89Å; Y166-I171 WeakPolarHBondContact O-CG2 3.39Å; Y166-I171 PolarHBondContact O-N 2.88Å; Y166-I178 HydrophobicContact CD2-CD1 3.96Å; Y166-I178 HydrophobicContact CD2-CG1 4.12Å; Y166-I178 HydrophobicContact CG-CD1 4.43Å; Y166-V194 HydrophobicContact CE2-CG1 4.43Å; Y166-A196 HydrophobicContact CD1-CB 3.7Å; Y166-A196 HydrophobicContact CD2-CB 4.23Å; Y166-A196 HydrophobicContact CE1-CB 3.4Å; Y166-A196 VanDerWaalsContact CE1-CB 3.4Å; Y166-A196 HydrophobicContact CE2-CB 3.98Å; Y166-A196 HydrophobicContact CG-CB 4.13Å; Y166-L221 HydrophobicContact CE1-CD2 4.49Å
167H98.1Very high97.4Very high122 Ų12249.2 Ų49.257%0.56525%0.253SS*.Hα-helixtrans-64.4-44.7173-172.279000111.7E163 E164 Q169 N170 F172E163-H167 VanDerWaalsContact O-CB 3.29Å; E163-H167 WeakPolarHBondContact O-CB 3.42Å; E163-H167 PolarHBondContact O-N 2.98Å; E164-H167 WeakPolarHBondContact O-CB 3.5Å; E164-H167 PolarHBondContact O-N 3.03Å; H167-Q169 PolarHBondContact O-N 3.38Å; H167-N170 WeakPolarHBondContact O-CA 3.48Å; H167-N170 PolarHBondContact O-N 3.32Å; H167-F172 HydrophobicContact CB-CE2 4.49Å
168R98Very high97.5Very high73 Ų7350 Ų5028%0.27526%0.258SS..Hα-helixtrans-56.2-37.1175.5-171.4-16566.479.40.2112.4E164 E165 N170 D387 Y389 Y390E164-R168 WeakPolarHBondContact O-CB 3.44Å; E164-R168 PolarHBondContact O-N 2.65Å; E165-R168 IonicContact OE1-CZ 3.27Å; E165-R168 IonicContact OE1-NE 3.53Å; E165-R168 IonicContact OE1-NH2 3.39Å; E165-R168 PolarHBondContact OE1-NH2 2.84Å; E165-R168 IonicContact OE2-CZ 3.19Å; E165-R168 IonicContact OE2-NE 2.77Å; E165-R168 PolarHBondContact OE2-NE 2.88Å; E165-R168 IonicContact OE2-NH2 2.77Å; R168-N170 PolarHBondContact O-N 3.44Å; R168-D387 IonicContact CZ-OD2 3.81Å; R168-D387 VanDerWaalsContact CZ-OD2 3.28Å; R168-D387 IonicContact NH1-OD1 3.58Å; R168-D387 IonicContact NH1-OD2 3.85Å; R168-D387 PolarHBondContact NH1-OD2 2.72Å; R168-D387 IonicContact NH2-OD2 2.72Å; R168-D387 PolarHBondContact NH2-OD2 3.19Å; R168-Y389 VanDerWaalsContact NE-CD1 3.3Å; R168-Y390 VanDerWaalsContact NH2-CZ 3.3Å; R168-Y390 PolarHBondContact NH2-OH 2.72Å; R168-Y390 VanDerWaalsContact NH2-OH 3.13Å
169Q98Very high97.5Very high8 Ų844.7 Ų44.74%0.03723%0.229CC..THydrogen-bonded Turntrans-77.21.8176.3-69.6169.470.600113.8E165 Y166 H167 I171 S222 W223E165-Q169 WeakPolarHBondContact O-CG 3.35Å; E165-Q169 PolarHBondContact O-N 3.25Å; E165-Q169 PolarHBondContact O-NE2 3.27Å; E165-Q169 PolarHBondContact OE1-NE2 2.85Å; Y166-Q169 PolarHBondContact O-N 3.32Å; H167-Q169 PolarHBondContact O-N 3.38Å; Q169-I171 VanDerWaalsContact C-N 3.28Å; Q169-I171 HydrophobicContact CB-CG2 3.79Å; Q169-I171 PolarHBondContact O-N 2.83Å; Q169-S222 PolarHBondContact OE1-O 2.82Å; Q169-W223 VanDerWaalsContact OE1-CA 3.28Å
170N97.2Very high97.5Very high82 Ų8248.9 Ų48.944%0.43925%0.246SC..THydrogen-bonded Turntrans54.338.5179.2-63-59.7000113.7Y166 H167 R168 F172 T173 N174Y166-N170 PolarHBondContact O-N 3.23Å; H167-N170 WeakPolarHBondContact O-CA 3.48Å; H167-N170 PolarHBondContact O-N 3.32Å; R168-N170 PolarHBondContact O-N 3.44Å; N170-F172 VanDerWaalsContact C-N 3.35Å; N170-F172 PolarHBondContact O-N 3.09Å; N170-T173 PolarHBondContact O-OG1 3.39Å; N170-N174 WeakPolarHBondContact O-CB 3.47Å; N170-N174 PolarHBondContact O-ND2 2.83Å
171I97.5Very high97.5Very high0 Ų050.7 Ų50.70%026%0.256CS..  trans-67.7-36.1-172.873.6160.9000112.2Y166 Q169 T173 N174 G175 W176 I178 A196 L221 L224Y166-I171 HydrophobicContact CD1-CD1 3.98Å; Y166-I171 HydrophobicContact CD1-CG2 4.39Å; Y166-I171 HydrophobicContact CG-CD1 3.89Å; Y166-I171 WeakPolarHBondContact O-CG2 3.39Å; Y166-I171 PolarHBondContact O-N 2.88Å; Q169-I171 VanDerWaalsContact C-N 3.28Å; Q169-I171 HydrophobicContact CB-CG2 3.79Å; Q169-I171 PolarHBondContact O-N 2.83Å; I171-T173 PolarHBondContact O-N 3.03Å; I171-N174 CarbonylContact O-C 3.25Å; I171-N174 PolarHBondContact O-N 2.96Å; I171-G175 PolarHBondContact O-N 2.92Å; I171-W176 HydrophobicContact CB-CB 3.78Å; I171-W176 HydrophobicContact CD1-CB 4.27Å; I171-W176 HydrophobicContact CG1-CB 4.34Å; I171-W176 WeakPolarHBondContact O-CB 3.45Å; I171-W176 PolarHBondContact O-N 3.33Å; I171-W176 VanDerWaalsContact O-N 3.1Å; I171-I178 HydrophobicContact CD1-CG1 4.13Å; I171-A196 HydrophobicContact CD1-CB 3.64Å; I171-L221 HydrophobicContact CB-CD2 4.36Å; I171-L221 HydrophobicContact CG2-CD2 3.62Å; I171-L224 HydrophobicContact CB-CD2 4.48Å; I171-L224 HydrophobicContact CG2-CB 4.48Å; I171-L224 HydrophobicContact CG2-CD2 4.3Å
172F95.4Very high97.6Very high85 Ų8547.8 Ų47.837%0.37324%0.241SC..G310 helixtrans-66.2-38.4-174.2-60.2-75000113.1H167 N170 N174 W176 I178H167-F172 HydrophobicContact CB-CE2 4.49Å; N170-F172 VanDerWaalsContact C-N 3.35Å; N170-F172 PolarHBondContact O-N 3.09Å; F172-N174 PolarHBondContact O-N 3.22Å; F172-W176 WeakPolarHBondContact CA-O 3.44Å; F172-I178 HydrophobicContact CE1-CB 4.33Å; F172-I178 HydrophobicContact CE1-CD1 4.31Å; F172-I178 HydrophobicContact CE1-CG1 3.96Å; F172-I178 HydrophobicContact CE2-CD1 4.39Å; F172-I178 HydrophobicContact CZ-CB 4.41Å; F172-I178 HydrophobicContact CZ-CD1 3.55Å; F172-I178 HydrophobicContact CZ-CG1 3.67Å
173T93.5Very high97.6Very high109 Ų10952.1 Ų52.167%0.66926%0.26SS*.G310 helixtrans-78.3-7.7176.852.10000112.5N170 I171N170-T173 PolarHBondContact O-OG1 3.39Å; I171-T173 PolarHBondContact O-N 3.03Å
174N95.3Very high97.5Very high23 Ų2351.3 Ų51.312%0.12326%0.259CS..G310 helixtrans-118.925.4-173.8-71.4-55.9000113.6N170 I171 F172 W176 L224 K229N170-N174 WeakPolarHBondContact O-CB 3.47Å; N170-N174 PolarHBondContact O-ND2 2.83Å; I171-N174 CarbonylContact O-C 3.25Å; I171-N174 PolarHBondContact O-N 2.96Å; F172-N174 PolarHBondContact O-N 3.22Å; N174-W176 VanDerWaalsContact O-CD1 3.29Å; N174-L224 HydrophobicContact CB-CD2 3.63Å; N174-K229 HydrophobicContact CB-CD 4.43Å; N174-K229 HydrophobicContact CB-CG 4.48Å; N174-K229 WeakPolarHBondContact OD1-CE 3.33Å
175G95.5Very high97.5Very high39 Ų3946.7 Ų46.740%0.40224%0.236SC..THydrogen-bonded Turntrans81.922.4170.100000114.7I171 W199I171-G175 PolarHBondContact O-N 2.92Å; G175-W199 WeakPolarHBondContact O-CB 3.4Å; G175-W199 PolarHBondContact O-N 3.33Å
176W98.3Very high97.5Very high1 Ų156.5 Ų56.50%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-121.5153.5174.9-68.775.1000110.1I171 F172 N174 V197 P198 L221 L224 S231 T233 L257 A260I171-W176 HydrophobicContact CB-CB 3.78Å; I171-W176 HydrophobicContact CD1-CB 4.27Å; I171-W176 HydrophobicContact CG1-CB 4.34Å; I171-W176 WeakPolarHBondContact O-CB 3.45Å; I171-W176 PolarHBondContact O-N 3.33Å; I171-W176 VanDerWaalsContact O-N 3.1Å; F172-W176 WeakPolarHBondContact CA-O 3.44Å; N174-W176 VanDerWaalsContact O-CD1 3.29Å; W176-V197 CarbonylContact C-O 3.36Å; W176-V197 WeakPolarHBondContact CA-O 3.21Å; W176-P198 HydrophobicContact CE3-CG 4.34Å; W176-P198 HydrophobicContact CH2-CG 3.97Å; W176-P198 HydrophobicContact CZ2-CG 4.25Å; W176-P198 VanDerWaalsContact CZ3-CD 3.49Å; W176-P198 HydrophobicContact CZ3-CG 4.01Å; W176-L221 HydrophobicContact CD2-CD1 4.25Å; W176-L221 HydrophobicContact CD2-CD2 4.04Å; W176-L221 HydrophobicContact CE3-CB 3.79Å; W176-L221 HydrophobicContact CE3-CD1 4Å; W176-L221 HydrophobicContact CE3-CD2 3.83Å; W176-L221 HydrophobicContact CE3-CG 4.09Å; W176-L221 HydrophobicContact CG-CD2 4.44Å; W176-L221 HydrophobicContact CH2-CB 4.36Å; W176-L221 HydrophobicContact CH2-CD1 3.73Å; W176-L221 HydrophobicContact CZ2-CD1 3.97Å; W176-L221 HydrophobicContact CZ3-CB 3.58Å; W176-L221 HydrophobicContact CZ3-CD1 3.74Å; W176-L221 HydrophobicContact CZ3-CD2 4.34Å; W176-L221 HydrophobicContact CZ3-CG 4.08Å; W176-L224 HydrophobicContact CG-CD2 4.42Å; W176-S231 VanDerWaalsContact CZ2-CB 3.45Å; W176-T233 HydrophobicContact CH2-CG2 3.64Å; W176-T233 HydrophobicContact CZ3-CG2 4.32Å; W176-L257 HydrophobicContact CH2-CD2 3.85Å; W176-L257 HydrophobicContact CZ3-CD2 4.29Å; W176-A260 HydrophobicContact CZ2-CB 4.07Å
177R98.1Very high97.5Very high44 Ų4457.7 Ų57.717%0.16628%0.279CS..EExtended strand (participates in β ladder)trans-130.7157.5177.868.7179.5-171.186.70.3111A196 V197 W199 V201 D203R177-A196 VanDerWaalsContact O-CA 3.31Å; R177-A196 WeakPolarHBondContact O-CA 3.37Å; R177-V197 HydrophobicContact CG-CG2 3.93Å; R177-V197 PolarHBondContact N-O 2.94Å; R177-V197 PolarHBondContact O-N 2.87Å; R177-W199 HydrophobicContact CB-CE3 3.74Å; R177-W199 HydrophobicContact CB-CZ3 4.05Å; R177-W199 WeakPolarHBondContact CD-O 3.44Å; R177-V201 PolarHBondContact NE-O 3.45Å; R177-V201 PolarHBondContact NH2-O 2.83Å; R177-D203 IonicContact CZ-OD1 3.91Å; R177-D203 IonicContact NH1-OD1 2.65Å; R177-D203 PolarHBondContact NH1-OD1 3.46Å; R177-D203 IonicContact NH2-OD1 3.74Å; R177-D203 PolarHBondContact NH2-OD1 3.02Å
178I98.5Very high97.5Very high30 Ų3052 Ų5215%0.15425%0.253CS..EExtended strand (participates in β ladder)trans-81.9138.4164-67.5-175000108.9E163 Y166 I171 F172 V194 L195E163-I178 HydrophobicContact CB-CD1 4.12Å; E163-I178 HydrophobicContact CG-CD1 3.91Å; Y166-I178 HydrophobicContact CD2-CD1 3.96Å; Y166-I178 HydrophobicContact CD2-CG1 4.12Å; Y166-I178 HydrophobicContact CG-CD1 4.43Å; I171-I178 HydrophobicContact CD1-CG1 4.13Å; F172-I178 HydrophobicContact CE1-CB 4.33Å; F172-I178 HydrophobicContact CE1-CD1 4.31Å; F172-I178 HydrophobicContact CE1-CG1 3.96Å; F172-I178 HydrophobicContact CE2-CD1 4.39Å; F172-I178 HydrophobicContact CZ-CB 4.41Å; F172-I178 HydrophobicContact CZ-CD1 3.55Å; F172-I178 HydrophobicContact CZ-CG1 3.67Å; I178-V194 HydrophobicContact CD1-CG1 4.33Å; I178-V194 HydrophobicContact CG2-CG1 3.35Å; I178-L195 CarbonylContact C-O 3.48Å; I178-L195 WeakPolarHBondContact CA-O 3.47Å
179T98.5Very high97.5Very high1 Ų151.9 Ų51.91%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-116.4141.3164.3-179.10000110.2I181 L195 V197 D203 L206T179-I181 HydrophobicContact CG2-CG2 3.89Å; T179-I181 WeakPolarHBondContact OG1-CB 3.4Å; T179-I181 VanDerWaalsContact OG1-CG2 3.32Å; T179-I181 WeakPolarHBondContact OG1-CG2 3.47Å; T179-I181 PolarHBondContact OG1-N 2.88Å; T179-L195 HydrophobicContact CG2-CB 3.81Å; T179-L195 PolarHBondContact N-O 3.19Å; T179-L195 PolarHBondContact O-N 2.99Å; T179-L195 VanDerWaalsContact O-N 3.16Å; T179-V197 HydrophobicContact CG2-CG1 4.39Å; T179-V197 HydrophobicContact CG2-CG2 4.26Å; T179-D203 PolarHBondContact OG1-OD1 2.8Å; T179-D203 PolarHBondContact OG1-OD2 3.45Å; T179-L206 HydrophobicContact CG2-CD1 3.81Å
180K98.2Very high97.5Very high105 Ų10552 Ų5246%0.45726%0.26SS..  trans-106.415.9175.1-65.2-171.9178.1-172.50111.8E163 N182 M183E163-K180 WeakPolarHBondContact OE1-CE 3.4Å; E163-K180 IonicContact OE1-NZ 2.7Å; E163-K180 PolarHBondContact OE1-NZ 2.89Å; K180-N182 PolarHBondContact O-N 3.42Å; K180-N182 VanDerWaalsContact O-N 3.11Å; K180-M183 HydrophobicContact CB-CB 4.25Å; K180-M183 HydrophobicContact CD-SD 4.4Å; K180-M183 WeakPolarHBondContact O-CB 3.32Å; K180-M183 PolarHBondContact O-N 3.14Å
181I98.4Very high97.6Very high51 Ų5148.1 Ų48.126%0.26224%0.239SC..THydrogen-bonded Turntrans-58.1-24.9178.9-168.556.9000113.2T179 L187 D203 L206 V207T179-I181 HydrophobicContact CG2-CG2 3.89Å; T179-I181 WeakPolarHBondContact OG1-CB 3.4Å; T179-I181 VanDerWaalsContact OG1-CG2 3.32Å; T179-I181 WeakPolarHBondContact OG1-CG2 3.47Å; T179-I181 PolarHBondContact OG1-N 2.88Å; I181-L187 HydrophobicContact CG1-CD2 4.35Å; I181-L187 HydrophobicContact CG2-CD2 3.6Å; I181-D203 HydrophobicContact CB-CB 4.33Å; I181-D203 HydrophobicContact CD1-CB 4.1Å; I181-D203 HydrophobicContact CG1-CB 4.15Å; I181-L206 HydrophobicContact CG2-CD1 3.98Å; I181-V207 HydrophobicContact CD1-CG2 4.37Å; I181-V207 HydrophobicContact CG1-CG2 4.24Å
182N98.6Very high97.6Very high0 Ų048.2 Ų48.20%024%0.239CC..THydrogen-bonded Turntrans-10114.3177.1-159.145.8000113.6K180 D184 Y185 L187 C188 Y191 P192 A193 L195K180-N182 PolarHBondContact O-N 3.42Å; K180-N182 VanDerWaalsContact O-N 3.11Å; N182-D184 PolarHBondContact O-N 2.87Å; N182-D184 VanDerWaalsContact O-N 3.1Å; N182-Y185 WeakPolarHBondContact O-CA 3.37Å; N182-Y185 PolarHBondContact O-N 3.49Å; N182-Y185 WeakPolarHBondContact OD1-CA 3.47Å; N182-L187 HydrophobicContact CB-CB 4.26Å; N182-L187 WeakPolarHBondContact OD1-CB 3.31Å; N182-L187 PolarHBondContact OD1-N 2.85Å; N182-C188 PolarHBondContact ND2-O 3.03Å; N182-C188 PolarHBondContact OD1-N 3.31Å; N182-C188 PolarHBondContact OD1-O 3.39Å; N182-Y191 PolarHBondContact ND2-O 2.94Å; N182-P192 PolarHBondContact ND2-O 3.03Å; N182-A193 CarbonylContact C-O 3.57Å; N182-A193 VanDerWaalsContact C-O 3.24Å; N182-A193 WeakPolarHBondContact O-CA 3.39Å; N182-L195 HydrophobicContact CB-CD1 3.99Å; N182-L195 HydrophobicContact CB-CG 4.48Å
183M98.2Very high97.8Very high117 Ų11744.8 Ų44.858%0.57623%0.226SC*.THydrogen-bonded Turntrans-59.3-27-174.1178.6173.954.900113.7K180 A193K180-M183 HydrophobicContact CB-CB 4.25Å; K180-M183 HydrophobicContact CD-SD 4.4Å; K180-M183 WeakPolarHBondContact O-CB 3.32Å; K180-M183 PolarHBondContact O-N 3.14Å; M183-A193 WeakPolarHBondContact CA-O 3.42Å; M183-A193 PolarHBondContact N-O 2.77Å
184D97.5Very high98Very high66 Ų6640.3 Ų40.335%0.35320%0.199SC..THydrogen-bonded Turntrans-104.98.7175.170.2-10.9000113.6N182 R186N182-D184 PolarHBondContact O-N 2.87Å; N182-D184 VanDerWaalsContact O-N 3.1Å; D184-R186 VanDerWaalsContact C-N 3.25Å; D184-R186 PolarHBondContact O-N 3.38Å; D184-R186 WeakPolarHBondContact OD1-CG 3.35Å; D184-R186 PolarHBondContact OD1-N 3.46Å; D184-R186 WeakPolarHBondContact OD2-CD 3.47Å; D184-R186 WeakPolarHBondContact OD2-CG 3.48Å; D184-R186 IonicContact OD2-CZ 3.35Å; D184-R186 IonicContact OD2-NE 3.34Å; D184-R186 PolarHBondContact OD2-NE 3.29Å; D184-R186 IonicContact OD2-NH1 2.82Å; D184-R186 IonicContact OD2-NH2 3.18Å
185Y98.3Very high98.2Very high15 Ų1539.2 Ų39.26%0.05919%0.193CC..SBendtrans65.315.4177.5-52.3-83.6000115.9N182 C188 D189 Y191 A193 E497 M498 R501N182-Y185 WeakPolarHBondContact O-CA 3.37Å; N182-Y185 PolarHBondContact O-N 3.49Å; N182-Y185 WeakPolarHBondContact OD1-CA 3.47Å; Y185-C188 CarbonylContact O-C 3.47Å; Y185-D189 WeakPolarHBondContact O-CA 3.41Å; Y185-D189 PolarHBondContact O-N 3.28Å; Y185-Y191 WeakPolarHBondContact CD1-O 3.36Å; Y185-A193 HydrophobicContact CE1-CB 4.07Å; Y185-E497 HydrophobicContact CE1-CB 4.06Å; Y185-E497 HydrophobicContact CE1-CG 4.34Å; Y185-E497 WeakPolarHBondContact OH-CG 3.24Å; Y185-E497 PolarHBondContact OH-OE1 3.46Å; Y185-M498 WeakPolarHBondContact CB-SD 3.29Å; Y185-M498 HydrophobicContact CD1-CB 3.62Å; Y185-M498 HydrophobicContact CD1-CG 4.19Å; Y185-M498 HydrophobicContact CD2-CB 3.79Å; Y185-M498 HydrophobicContact CD2-CG 3.54Å; Y185-M498 HydrophobicContact CD2-SD 4.34Å; Y185-M498 HydrophobicContact CE1-CB 3.86Å; Y185-M498 HydrophobicContact CE2-CB 4.05Å; Y185-M498 HydrophobicContact CE2-CG 4.11Å; Y185-M498 HydrophobicContact CG-CB 3.56Å; Y185-M498 HydrophobicContact CG-CG 3.58Å; Y185-M498 HydrophobicContact CG-SD 4Å; Y185-R501 VanDerWaalsContact CD2-CZ 3.49Å; Y185-R501 VanDerWaalsContact CD2-NH1 3.3Å
186R97.8Very high98.3Very high214 Ų21437.3 Ų37.381%0.80817%0.174SC*.SBendtrans-74.7-30.1-179.7-70.3-176.2-172.7172.95.2114.1D184D184-R186 VanDerWaalsContact C-N 3.25Å; D184-R186 PolarHBondContact O-N 3.38Å; D184-R186 WeakPolarHBondContact OD1-CG 3.35Å; D184-R186 PolarHBondContact OD1-N 3.46Å; D184-R186 WeakPolarHBondContact OD2-CD 3.47Å; D184-R186 WeakPolarHBondContact OD2-CG 3.48Å; D184-R186 IonicContact OD2-CZ 3.35Å; D184-R186 IonicContact OD2-NE 3.34Å; D184-R186 PolarHBondContact OD2-NE 3.29Å; D184-R186 IonicContact OD2-NH1 2.82Å; D184-R186 IonicContact OD2-NH2 3.18Å
187L98.3Very high98.4Very high27 Ų2737.3 Ų37.314%0.14117%0.174CC..SBendtrans-71-45.7177.3-179.568.6000110.6I181 N182 L206 V207 A210 I218I181-L187 HydrophobicContact CG1-CD2 4.35Å; I181-L187 HydrophobicContact CG2-CD2 3.6Å; N182-L187 HydrophobicContact CB-CB 4.26Å; N182-L187 WeakPolarHBondContact OD1-CB 3.31Å; N182-L187 PolarHBondContact OD1-N 2.85Å; L187-L206 HydrophobicContact CD2-CB 4.35Å; L187-V207 HydrophobicContact CD1-CB 4.5Å; L187-V207 HydrophobicContact CD1-CG2 4.1Å; L187-A210 HydrophobicContact CD1-CB 3.65Å; L187-A210 HydrophobicContact CG-CB 4.43Å; L187-I218 HydrophobicContact CD2-CD1 3.89Å
188C98.5Very high98.4Very high3 Ų335.4 Ų35.42%0.0217%0.167CC..  trans-156.2109.3177.1174.40000111N182 Y185 T190 Y191 R215 G216 R217N182-C188 PolarHBondContact ND2-O 3.03Å; N182-C188 PolarHBondContact OD1-N 3.31Å; N182-C188 PolarHBondContact OD1-O 3.39Å; Y185-C188 CarbonylContact O-C 3.47Å; C188-T190 PolarHBondContact O-N 3.06Å; C188-T190 VanDerWaalsContact O-N 3.16Å; C188-T190 PolarHBondContact SG-OG1 3.07Å; C188-Y191 HydrophobicContact CB-CD2 4.24Å; C188-Y191 HydrophobicContact CB-CG 4.28Å; C188-Y191 PolarHBondContact O-N 2.84Å; C188-Y191 VanDerWaalsContact O-N 3.1Å; C188-R215 PolarHBondContact SG-O 2.95Å; C188-R215 VanDerWaalsContact SG-O 3.33Å; C188-G216 WeakPolarHBondContact CB-O 3.5Å; C188-R217 WeakPolarHBondContact SG-CG 3.3Å
189D98.1Very high98.3Very high70 Ų7041 Ų4137%0.37419%0.187SC..THydrogen-bonded Turntrans-68.1-12.2-176.769.9-19000115.5Y185 S496 M498Y185-D189 WeakPolarHBondContact O-CA 3.41Å; Y185-D189 PolarHBondContact O-N 3.28Å; D189-S496 PolarHBondContact O-OG 2.77Å; D189-M498 HydrophobicContact CB-CE 3.79Å; D189-M498 HydrophobicContact CB-SD 3.76Å
190T98.3Very high98.3Very high11 Ų1147.3 Ų47.37%0.06722%0.216CC..THydrogen-bonded Turntrans-1082.817761.30000113.6C188 R217 W372 F407 G408C188-T190 PolarHBondContact O-N 3.06Å; C188-T190 VanDerWaalsContact O-N 3.16Å; C188-T190 PolarHBondContact SG-OG1 3.07Å; T190-R217 VanDerWaalsContact CB-NH1 3.32Å; T190-R217 PolarHBondContact O-NH1 3Å; T190-R217 WeakPolarHBondContact OG1-CD 3.36Å; T190-R217 PolarHBondContact OG1-NH1 3.39Å; T190-W372 HydrophobicContact CG2-CZ3 4.21Å; T190-F407 CarbonylContact O-C 3.5Å; T190-G408 WeakPolarHBondContact O-CA 3.41Å
191Y98.7Very high98.3Very high0 Ų042.3 Ų42.30%019%0.194CC..SBendtrans-100.9162.4171.9-94.42.3000111.3N182 Y185 C188 L195 R217 I218 V220 R234 F407N182-Y191 PolarHBondContact ND2-O 2.94Å; Y185-Y191 WeakPolarHBondContact CD1-O 3.36Å; C188-Y191 HydrophobicContact CB-CD2 4.24Å; C188-Y191 HydrophobicContact CB-CG 4.28Å; C188-Y191 PolarHBondContact O-N 2.84Å; C188-Y191 VanDerWaalsContact O-N 3.1Å; Y191-L195 HydrophobicContact CD2-CD1 4.24Å; Y191-L195 HydrophobicContact CD2-CD2 3.97Å; Y191-L195 HydrophobicContact CG-CD2 4.31Å; Y191-R217 HydrophobicContact CD1-CB 4.43Å; Y191-R217 HydrophobicContact CD1-CG 4.02Å; Y191-R217 HydrophobicContact CE1-CB 3.83Å; Y191-R217 HydrophobicContact CE1-CG 3.85Å; Y191-R217 VanDerWaalsContact CE1-CZ 3.49Å; Y191-R217 HydrophobicContact CE2-CB 4.23Å; Y191-I218 HydrophobicContact CE2-CG1 4.23Å; Y191-I218 WeakPolarHBondContact CE2-O 3.46Å; Y191-I218 PolarHBondContact OH-O 3.42Å; Y191-V220 HydrophobicContact CE2-CG1 4.09Å; Y191-V220 HydrophobicContact CE2-CG2 3.77Å; Y191-R234 PolarHBondContact OH-O 3.2Å; Y191-F407 AromaticContact CD1-CD1 3.68Å; Y191-F407 HydrophobicContact CD1-CD1 3.68Å; Y191-F407 HydrophobicContact CD1-CE1 4.15Å; Y191-F407 AromaticContact CE1-CD1 3.73Å; Y191-F407 HydrophobicContact CE1-CD1 3.73Å; Y191-F407 HydrophobicContact CE1-CE1 4.09Å; Y191-F407 HydrophobicContact CG-CD1 4.39Å
192P98.6Very high98.3Very high1 Ų143.1 Ų43.11%0.00620%0.201CC..  trans-61.6158.5173.7-14.526.3000111.4N182 V194 L195 S406 F407N182-P192 PolarHBondContact ND2-O 3.03Å; P192-V194 PolarHBondContact O-N 3.4Å; P192-L195 HydrophobicContact CG-CD2 4.37Å; P192-S406 WeakPolarHBondContact CD-O 3.44Å; P192-F407 VanDerWaalsContact CD-CD1 3.43Å; P192-F407 HydrophobicContact CG-CD1 3.76Å; P192-F407 HydrophobicContact CG-CD2 4.02Å; P192-F407 HydrophobicContact CG-CE1 3.75Å; P192-F407 HydrophobicContact CG-CE2 4.04Å; P192-F407 HydrophobicContact CG-CG 3.88Å; P192-F407 HydrophobicContact CG-CZ 3.9Å
193A98.5Very high98.3Very high13 Ų1345.3 Ų45.311%0.10721%0.213CC..SBendtrans-60.6-31.2173.300000113N182 M183 Y185 E497N182-A193 CarbonylContact C-O 3.57Å; N182-A193 VanDerWaalsContact C-O 3.24Å; N182-A193 WeakPolarHBondContact O-CA 3.39Å; M183-A193 WeakPolarHBondContact CA-O 3.42Å; M183-A193 PolarHBondContact N-O 2.77Å; Y185-A193 HydrophobicContact CE1-CB 4.07Å; A193-E497 WeakPolarHBondContact CB-OE1 3.47Å; A193-E497 PolarHBondContact N-OE1 2.94Å
194V98.5Very high98.3Very high15 Ų1546.4 Ų46.49%0.09122%0.217CC..SBendtrans-117.9124.3-174.1-178.70000109.8P162 E163 Y166 I178 P192P162-V194 HydrophobicContact CB-CB 4.07Å; P162-V194 HydrophobicContact CB-CG1 4.29Å; P162-V194 HydrophobicContact CG-CB 4.02Å; P162-V194 HydrophobicContact CG-CG1 4.49Å; P162-V194 HydrophobicContact CG-CG2 4.09Å; E163-V194 HydrophobicContact CG-CG1 4.46Å; Y166-V194 HydrophobicContact CE2-CG1 4.43Å; I178-V194 HydrophobicContact CD1-CG1 4.33Å; I178-V194 HydrophobicContact CG2-CG1 3.35Å; P192-V194 PolarHBondContact O-N 3.4Å
195L98.7Very high98.3Very high0 Ų044.4 Ų44.40%021%0.206CC..EExtended strand (participates in β ladder)trans-120.6154.3-178.1-56.2171.9000110.5I178 T179 N182 Y191 P192 V220 F407I178-L195 CarbonylContact C-O 3.48Å; I178-L195 WeakPolarHBondContact CA-O 3.47Å; T179-L195 HydrophobicContact CG2-CB 3.81Å; T179-L195 PolarHBondContact N-O 3.19Å; T179-L195 PolarHBondContact O-N 2.99Å; T179-L195 VanDerWaalsContact O-N 3.16Å; N182-L195 HydrophobicContact CB-CD1 3.99Å; N182-L195 HydrophobicContact CB-CG 4.48Å; Y191-L195 HydrophobicContact CD2-CD1 4.24Å; Y191-L195 HydrophobicContact CD2-CD2 3.97Å; Y191-L195 HydrophobicContact CG-CD2 4.31Å; P192-L195 HydrophobicContact CG-CD2 4.37Å; L195-V220 HydrophobicContact CB-CG1 4.2Å; L195-V220 HydrophobicContact CD1-CG1 4.19Å; L195-V220 HydrophobicContact CD2-CG1 4.25Å; L195-V220 HydrophobicContact CD2-CG2 4.48Å; L195-V220 HydrophobicContact CG-CG1 4.45Å; L195-F407 HydrophobicContact CD2-CE1 4.3Å
196A98.7Very high98.4Very high0 Ų043.7 Ų43.70%020%0.203CC..EExtended strand (participates in β ladder)trans-117.3132.7172.300000111.3Y166 I171 R177 L221Y166-A196 HydrophobicContact CD1-CB 3.7Å; Y166-A196 HydrophobicContact CD2-CB 4.23Å; Y166-A196 HydrophobicContact CE1-CB 3.4Å; Y166-A196 VanDerWaalsContact CE1-CB 3.4Å; Y166-A196 HydrophobicContact CE2-CB 3.98Å; Y166-A196 HydrophobicContact CG-CB 4.13Å; I171-A196 HydrophobicContact CD1-CB 3.64Å; R177-A196 VanDerWaalsContact O-CA 3.31Å; R177-A196 WeakPolarHBondContact O-CA 3.37Å; A196-L221 HydrophobicContact CB-CB 3.87Å; A196-L221 HydrophobicContact CB-CD2 4.09Å; A196-L221 WeakPolarHBondContact O-CB 3.25Å; A196-L221 PolarHBondContact O-N 3.24Å
197V98.8Very high98.4Very high1 Ų137.1 Ų37.11%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-139.9161-174.2-62.80000109.9W176 R177 T179 V201 L206 V220W176-V197 CarbonylContact C-O 3.36Å; W176-V197 WeakPolarHBondContact CA-O 3.21Å; R177-V197 HydrophobicContact CG-CG2 3.93Å; R177-V197 PolarHBondContact N-O 2.94Å; R177-V197 PolarHBondContact O-N 2.87Å; T179-V197 HydrophobicContact CG2-CG1 4.39Å; T179-V197 HydrophobicContact CG2-CG2 4.26Å; V197-V201 HydrophobicContact CB-CB 4.26Å; V197-V201 HydrophobicContact CB-CG1 4.25Å; V197-V201 HydrophobicContact CG2-CB 4.19Å; V197-V201 HydrophobicContact CG2-CG1 4.23Å; V197-L206 HydrophobicContact CG1-CD1 4.27Å; V197-L206 HydrophobicContact CG1-CD2 3.97Å; V197-V220 HydrophobicContact CG1-CG1 4.32Å
198P98.3Very high98.4Very high4 Ų437.7 Ų37.73%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-55.3149.4172.5-24.233.2000111.8W176 E200 V201 Q256 L257 A260W176-P198 HydrophobicContact CE3-CG 4.34Å; W176-P198 HydrophobicContact CH2-CG 3.97Å; W176-P198 HydrophobicContact CZ2-CG 4.25Å; W176-P198 VanDerWaalsContact CZ3-CD 3.49Å; W176-P198 HydrophobicContact CZ3-CG 4.01Å; P198-E200 VanDerWaalsContact C-N 3.27Å; P198-E200 PolarHBondContact O-N 3.37Å; P198-V201 HydrophobicContact CB-CG2 4.05Å; P198-V201 HydrophobicContact CG-CG2 4.1Å; P198-V201 WeakPolarHBondContact O-CB 3.48Å; P198-V201 PolarHBondContact O-N 3.41Å; P198-V201 VanDerWaalsContact O-N 3.08Å; P198-Q256 HydrophobicContact CG-CB 4.42Å; P198-L257 HydrophobicContact CG-CD2 3.68Å; P198-A260 HydrophobicContact CB-CB 4.12Å; P198-A260 HydrophobicContact CG-CB 4.08Å
199W97.6Very high98.4Very high147 Ų14737.6 Ų37.656%0.55720%0.195SC*.THydrogen-bonded Turntrans-54.8-41.9-174.3-172.2-92.2000113.2G175 R177 V201G175-W199 WeakPolarHBondContact O-CB 3.4Å; G175-W199 PolarHBondContact O-N 3.33Å; R177-W199 HydrophobicContact CB-CE3 3.74Å; R177-W199 HydrophobicContact CB-CZ3 4.05Å; R177-W199 WeakPolarHBondContact CD-O 3.44Å; W199-V201 VanDerWaalsContact C-N 3.31Å; W199-V201 PolarHBondContact O-N 3.07Å
200E96.8Very high98.4Very high133 Ų13334.6 Ų34.662%0.62118%0.18SC*.THydrogen-bonded Turntrans-76.6-11.3-177.5-62.2-58.6140.600114.3P198 T202P198-E200 VanDerWaalsContact C-N 3.27Å; P198-E200 PolarHBondContact O-N 3.37Å; E200-T202 PolarHBondContact O-N 3.12Å
201V98.4Very high98.4Very high1 Ų139 Ų391%0.00621%0.209CC..  trans-73.4124.2176.8170.30000108.6R177 V197 P198 W199 L205 L206 L253 Q256R177-V201 PolarHBondContact NE-O 3.45Å; R177-V201 PolarHBondContact NH2-O 2.83Å; V197-V201 HydrophobicContact CB-CB 4.26Å; V197-V201 HydrophobicContact CB-CG1 4.25Å; V197-V201 HydrophobicContact CG2-CB 4.19Å; V197-V201 HydrophobicContact CG2-CG1 4.23Å; P198-V201 HydrophobicContact CB-CG2 4.05Å; P198-V201 HydrophobicContact CG-CG2 4.1Å; P198-V201 WeakPolarHBondContact O-CB 3.48Å; P198-V201 PolarHBondContact O-N 3.41Å; P198-V201 VanDerWaalsContact O-N 3.08Å; W199-V201 VanDerWaalsContact C-N 3.31Å; W199-V201 PolarHBondContact O-N 3.07Å; V201-L205 HydrophobicContact CG1-CD2 4.3Å; V201-L206 HydrophobicContact CG1-CD1 4.38Å; V201-L206 HydrophobicContact CG1-CD2 3.56Å; V201-L206 HydrophobicContact CG1-CG 3.8Å; V201-L253 HydrophobicContact CB-CD1 4.49Å; V201-L253 HydrophobicContact CG1-CD1 3.85Å; V201-L253 HydrophobicContact CG2-CD1 3.75Å; V201-Q256 HydrophobicContact CG2-CB 3.46Å; V201-Q256 VanDerWaalsContact CG2-CB 3.46Å; V201-Q256 HydrophobicContact CG2-CG 3.77Å
202T98.3Very high98.4Very high67 Ų6739.9 Ų39.941%0.41121%0.213SC..  trans-90.4161.5176.381.90000111.9E200 E204 L205 L206E200-T202 PolarHBondContact O-N 3.12Å; T202-E204 VanDerWaalsContact C-N 3.29Å; T202-E204 WeakPolarHBondContact CB-OE2 3.35Å; T202-E204 PolarHBondContact O-N 2.85Å; T202-E204 PolarHBondContact OG1-N 3.28Å; T202-E204 PolarHBondContact OG1-OE2 3.29Å; T202-L205 PolarHBondContact O-N 2.94Å; T202-L205 PolarHBondContact OG1-N 3.06Å; T202-L206 WeakPolarHBondContact O-CG 3.35Å; T202-L206 PolarHBondContact O-N 3.45Å
203D98.6Very high98.4Very high47 Ų4739.9 Ų39.925%0.25121%0.213SC..Hα-helixtrans-69-29.9179-71.6-6.1000111.7R177 T179 I181 L205 L206 V207R177-D203 IonicContact CZ-OD1 3.91Å; R177-D203 IonicContact NH1-OD1 2.65Å; R177-D203 PolarHBondContact NH1-OD1 3.46Å; R177-D203 IonicContact NH2-OD1 3.74Å; R177-D203 PolarHBondContact NH2-OD1 3.02Å; T179-D203 PolarHBondContact OG1-OD1 2.8Å; T179-D203 PolarHBondContact OG1-OD2 3.45Å; I181-D203 HydrophobicContact CB-CB 4.33Å; I181-D203 HydrophobicContact CD1-CB 4.1Å; I181-D203 HydrophobicContact CG1-CB 4.15Å; D203-L205 VanDerWaalsContact C-N 3.35Å; D203-L205 PolarHBondContact O-N 2.94Å; D203-L206 WeakPolarHBondContact O-CB 3.33Å; D203-L206 PolarHBondContact O-N 3.19Å; D203-V207 WeakPolarHBondContact O-CG2 3.38Å; D203-V207 PolarHBondContact O-N 2.99Å
204E98.6Very high98.4Very high139 Ų13940 Ų4065%0.6521%0.213SC*.Hα-helixtrans-62.2-42.2173.9-59.870.7-152.300111.5T202 L206 V207 A208T202-E204 VanDerWaalsContact C-N 3.29Å; T202-E204 WeakPolarHBondContact CB-OE2 3.35Å; T202-E204 PolarHBondContact O-N 2.85Å; T202-E204 PolarHBondContact OG1-N 3.28Å; T202-E204 PolarHBondContact OG1-OE2 3.29Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.41Å; E204-V207 PolarHBondContact O-N 3.35Å; E204-A208 WeakPolarHBondContact O-CB 3.27Å; E204-A208 PolarHBondContact O-N 3.23Å
205L98.7Very high98.3Very high24 Ų2445.5 Ų45.513%0.12623%0.232CC..Hα-helixtrans-62.3-42.4175.8-178.863.4000111V201 T202 D203 V207 A208 C209 D249 E252 L253V201-L205 HydrophobicContact CG1-CD2 4.3Å; T202-L205 PolarHBondContact O-N 2.94Å; T202-L205 PolarHBondContact OG1-N 3.06Å; D203-L205 VanDerWaalsContact C-N 3.35Å; D203-L205 PolarHBondContact O-N 2.94Å; L205-V207 PolarHBondContact O-N 3.02Å; L205-A208 PolarHBondContact O-N 3.08Å; L205-C209 WeakPolarHBondContact O-CB 3.33Å; L205-C209 PolarHBondContact O-N 3.2Å; L205-C209 PolarHBondContact O-SG 2.92Å; L205-D249 HydrophobicContact CD1-CB 3.88Å; L205-E252 HydrophobicContact CD1-CB 4.26Å; L205-E252 HydrophobicContact CD1-CG 4.35Å; L205-E252 HydrophobicContact CD2-CG 4.01Å; L205-L253 HydrophobicContact CD2-CB 4.39Å
206L98.8Very high98.3Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-61.1-44177.9-62.7174.3000111.7T179 I181 L187 V197 V201 T202 D203 E204 C209 A210 I218 L253T179-L206 HydrophobicContact CG2-CD1 3.81Å; I181-L206 HydrophobicContact CG2-CD1 3.98Å; L187-L206 HydrophobicContact CD2-CB 4.35Å; V197-L206 HydrophobicContact CG1-CD1 4.27Å; V197-L206 HydrophobicContact CG1-CD2 3.97Å; V201-L206 HydrophobicContact CG1-CD1 4.38Å; V201-L206 HydrophobicContact CG1-CD2 3.56Å; V201-L206 HydrophobicContact CG1-CG 3.8Å; T202-L206 WeakPolarHBondContact O-CG 3.35Å; T202-L206 PolarHBondContact O-N 3.45Å; D203-L206 WeakPolarHBondContact O-CB 3.33Å; D203-L206 PolarHBondContact O-N 3.19Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.41Å; L206-C209 PolarHBondContact O-N 2.71Å; L206-A210 PolarHBondContact O-N 2.84Å; L206-A210 VanDerWaalsContact O-N 3.15Å; L206-I218 HydrophobicContact CB-CD1 3.84Å; L206-I218 HydrophobicContact CD2-CD1 3.59Å; L206-I218 HydrophobicContact CG-CD1 4.24Å; L206-L253 HydrophobicContact CD2-CD1 4.2Å; L206-L253 HydrophobicContact CD2-CD2 4.29Å
207V98.7Very high98.3Very high76 Ų7646 Ų4646%0.46124%0.236SC..Hα-helixtrans-62.4-43.7176.2172.60000111.1I181 L187 D203 E204 L205 C209 A210 P211I181-V207 HydrophobicContact CD1-CG2 4.37Å; I181-V207 HydrophobicContact CG1-CG2 4.24Å; L187-V207 HydrophobicContact CD1-CB 4.5Å; L187-V207 HydrophobicContact CD1-CG2 4.1Å; D203-V207 WeakPolarHBondContact O-CG2 3.38Å; D203-V207 PolarHBondContact O-N 2.99Å; E204-V207 PolarHBondContact O-N 3.35Å; L205-V207 PolarHBondContact O-N 3.02Å; V207-C209 VanDerWaalsContact C-N 3.34Å; V207-C209 PolarHBondContact O-N 3.28Å; V207-A210 PolarHBondContact O-N 3.49Å; V207-P211 VanDerWaalsContact O-CD 3.25Å; V207-P211 WeakPolarHBondContact O-CD 3.49Å
208A98.6Very high98.3Very high40 Ų4045.9 Ų45.933%0.33124%0.236SC..Hα-helixtrans-67.6-31.7178.500000113.1E204 L205 D249E204-A208 WeakPolarHBondContact O-CB 3.27Å; E204-A208 PolarHBondContact O-N 3.23Å; L205-A208 PolarHBondContact O-N 3.08Å; A208-D249 HydrophobicContact CB-CB 3.88Å
209C98.3Very high98.3Very high0 Ų045.7 Ų45.70%024%0.235CC..Hα-helixtrans-73.8-35.4177.8-69.20000113.5L205 L206 V207 H212 I218 D249 L253L205-C209 WeakPolarHBondContact O-CB 3.33Å; L205-C209 PolarHBondContact O-N 3.2Å; L205-C209 PolarHBondContact O-SG 2.92Å; L206-C209 PolarHBondContact O-N 2.71Å; V207-C209 VanDerWaalsContact C-N 3.34Å; V207-C209 PolarHBondContact O-N 3.28Å; C209-H212 WeakPolarHBondContact O-CB 3.42Å; C209-H212 PolarHBondContact O-N 2.85Å; C209-I218 HydrophobicContact CB-CG2 3.96Å; C209-D249 PolarHBondContact SG-O 3.3Å; C209-L253 HydrophobicContact CB-CD2 3.94Å
210A98.5Very high98.4Very high8 Ų838.8 Ų38.87%0.06621%0.209CC..G310 helixtrans-54.1-43.8-170.200000114.2L187 L206 V207 H212 R213 G216 I218L187-A210 HydrophobicContact CD1-CB 3.65Å; L187-A210 HydrophobicContact CG-CB 4.43Å; L206-A210 PolarHBondContact O-N 2.84Å; L206-A210 VanDerWaalsContact O-N 3.15Å; V207-A210 PolarHBondContact O-N 3.49Å; A210-H212 PolarHBondContact O-N 2.82Å; A210-H212 VanDerWaalsContact O-N 3.14Å; A210-R213 PolarHBondContact O-N 3.1Å; A210-R213 VanDerWaalsContact O-O 3.11Å; A210-G216 WeakPolarHBondContact O-CA 3.43Å; A210-I218 VanDerWaalsContact CA-CG2 3.5Å; A210-I218 HydrophobicContact CB-CG2 3.99Å
211P98.2Very high98.5Very high103 Ų10332.4 Ų32.467%0.66918%0.179SC*.G310 helixtrans-61.9-20.2176.5-25.235.3000115.1V207V207-P211 VanDerWaalsContact O-CD 3.25Å; V207-P211 WeakPolarHBondContact O-CD 3.49Å
212H98.3Very high98.5Very high18 Ų1832.4 Ų32.48%0.08318%0.179CC..G310 helixtrans-85.8-10.2177.2-165.266.9000113.1C209 A210 P238 L239 S247 D250C209-H212 WeakPolarHBondContact O-CB 3.42Å; C209-H212 PolarHBondContact O-N 2.85Å; A210-H212 PolarHBondContact O-N 2.82Å; A210-H212 VanDerWaalsContact O-N 3.14Å; H212-P238 CarbonylContact O-C 3.43Å; H212-P238 WeakPolarHBondContact O-CA 3.34Å; H212-L239 WeakPolarHBondContact O-CB 3.41Å; H212-L239 PolarHBondContact O-N 3Å; H212-S247 VanDerWaalsContact CG-CB 3.42Å; H212-D250 HydrophobicContact CB-CB 4.43Å; H212-D250 IonicContact CD2-OD2 2.9Å
213R98.4Very high98.5Very high1 Ų129.5 Ų29.50%0.00416%0.16CC..BIsolated β-bridgetrans-109.7139.7-179.2-68.7-76.7177.6173.1-7.6110A210 R215 G216 I218 S236 D250 E289A210-R213 PolarHBondContact O-N 3.1Å; A210-R213 VanDerWaalsContact O-O 3.11Å; R213-R215 PolarHBondContact O-N 3.4Å; R213-G216 PolarHBondContact O-N 2.71Å; R213-I218 HydrophobicContact CB-CG2 4.39Å; R213-I218 HydrophobicContact CG-CG2 4.25Å; R213-S236 WeakPolarHBondContact CD-O 3.16Å; R213-S236 PolarHBondContact NH1-O 3.33Å; R213-D250 IonicContact CZ-OD1 2.78Å; R213-D250 IonicContact CZ-OD2 2.75Å; R213-D250 IonicContact NE-OD1 3.87Å; R213-D250 PolarHBondContact NE-OD1 2.77Å; R213-D250 IonicContact NE-OD2 3.94Å; R213-D250 IonicContact NH2-OD1 2.84Å; R213-D250 PolarHBondContact NH2-OD1 2.92Å; R213-D250 VanDerWaalsContact NH2-OD1 3.1Å; R213-D250 IonicContact NH2-OD2 3.97Å; R213-D250 PolarHBondContact NH2-OD2 3.4Å; R213-E289 IonicContact CZ-OE1 3.78Å; R213-E289 IonicContact NH1-OE1 3.27Å; R213-E289 PolarHBondContact NH1-OE1 2.94Å; R213-E289 IonicContact NH2-OE1 3.83Å; R213-E289 PolarHBondContact NH2-OE1 3.01Å; R213-E289 VanDerWaalsContact NH2-OE1 3.11Å
214S98.3Very high98.5Very high15 Ų1527.4 Ų27.411%0.10515%0.149CC..G310 helixtrans-53.4119.6178.2-1740000109.8G216 R217 S236 Q237 D370S214-G216 VanDerWaalsContact C-N 3.26Å; S214-G216 PolarHBondContact O-N 2.98Å; S214-R217 PolarHBondContact O-N 2.67Å; S214-S236 WeakPolarHBondContact CA-OG 3.37Å; S214-S236 PolarHBondContact N-OG 3.49Å; S214-S236 WeakPolarHBondContact O-CB 3.38Å; S214-S236 PolarHBondContact O-OG 2.97Å; S214-Q237 PolarHBondContact N-O 3.42Å; S214-D370 PolarHBondContact OG-OD1 3.26Å
215R97.6Very high98.5Very high132 Ų13221 Ų2150%0.49812%0.119SC..G310 helixtrans59.527-178.9-56.9176.1169.7-100.40.4115.2C188 R213 R217 D370 W372C188-R215 PolarHBondContact SG-O 2.95Å; C188-R215 VanDerWaalsContact SG-O 3.33Å; R213-R215 PolarHBondContact O-N 3.4Å; R215-R217 HydrophobicContact CB-CG 4.46Å; R215-R217 PolarHBondContact O-N 2.82Å; R215-D370 IonicContact NE-OD1 3.36Å; R215-W372 VanDerWaalsContact CD-CH2 3.43Å; R215-W372 VanDerWaalsContact NE-CH2 3.31Å
216G98.3Very high98.3Very high9 Ų923.6 Ų23.69%0.09314%0.137CC..G310 helixtrans70.411.2179.500000114.5C188 A210 R213 S214 I218C188-G216 WeakPolarHBondContact CB-O 3.5Å; A210-G216 WeakPolarHBondContact O-CA 3.43Å; R213-G216 PolarHBondContact O-N 2.71Å; S214-G216 VanDerWaalsContact C-N 3.26Å; S214-G216 PolarHBondContact O-N 2.98Å; G216-I218 PolarHBondContact O-N 2.78Å
217R98.7Very high98Very high0 Ų030.2 Ų30.20%017%0.168CC..  trans-79.572-178.5-66.6175.370.292.30110.9C188 T190 Y191 S214 R215 S236 D370 G371 F407C188-R217 WeakPolarHBondContact SG-CG 3.3Å; T190-R217 VanDerWaalsContact CB-NH1 3.32Å; T190-R217 PolarHBondContact O-NH1 3Å; T190-R217 WeakPolarHBondContact OG1-CD 3.36Å; T190-R217 PolarHBondContact OG1-NH1 3.39Å; Y191-R217 HydrophobicContact CD1-CB 4.43Å; Y191-R217 HydrophobicContact CD1-CG 4.02Å; Y191-R217 HydrophobicContact CE1-CB 3.83Å; Y191-R217 HydrophobicContact CE1-CG 3.85Å; Y191-R217 VanDerWaalsContact CE1-CZ 3.49Å; Y191-R217 HydrophobicContact CE2-CB 4.23Å; S214-R217 PolarHBondContact O-N 2.67Å; R215-R217 HydrophobicContact CB-CG 4.46Å; R215-R217 PolarHBondContact O-N 2.82Å; R217-S236 PolarHBondContact O-N 3.01Å; R217-S236 PolarHBondContact O-OG 3.44Å; R217-D370 WeakPolarHBondContact CD-O 3.19Å; R217-D370 PolarHBondContact NE-O 2.86Å; R217-G371 PolarHBondContact NH2-O 3.37Å; R217-F407 PolarHBondContact NH1-O 2.66Å; R217-F407 PolarHBondContact NH2-O 2.96Å
218I98.7Very high97.8Very high0 Ų027.1 Ų27.10%015%0.15CC..  trans-64.7160.1-17958.9-176.4000112.9L187 Y191 L206 C209 A210 R213 G216 V220 L253L187-I218 HydrophobicContact CD2-CD1 3.89Å; Y191-I218 HydrophobicContact CE2-CG1 4.23Å; Y191-I218 WeakPolarHBondContact CE2-O 3.46Å; Y191-I218 PolarHBondContact OH-O 3.42Å; L206-I218 HydrophobicContact CB-CD1 3.84Å; L206-I218 HydrophobicContact CD2-CD1 3.59Å; L206-I218 HydrophobicContact CG-CD1 4.24Å; C209-I218 HydrophobicContact CB-CG2 3.96Å; A210-I218 VanDerWaalsContact CA-CG2 3.5Å; A210-I218 HydrophobicContact CB-CG2 3.99Å; R213-I218 HydrophobicContact CB-CG2 4.39Å; R213-I218 HydrophobicContact CG-CG2 4.25Å; G216-I218 PolarHBondContact O-N 2.78Å; I218-V220 HydrophobicContact CG1-CG1 4.13Å; I218-V220 PolarHBondContact O-N 3.29Å; I218-L253 HydrophobicContact CB-CD2 4.27Å
219P98.8Very high97.6Very high0 Ų029 Ų290%015%0.151CC..  trans-57122.4171.3-24.332.8000113.6R234 A235 L253 L257 L365P219-R234 VanDerWaalsContact CA-O 3.31Å; P219-R234 WeakPolarHBondContact CA-O 3.37Å; P219-A235 HydrophobicContact CB-CB 4.35Å; P219-A235 HydrophobicContact CG-CB 3.99Å; P219-L253 HydrophobicContact CB-CD2 4.43Å; P219-L253 HydrophobicContact CG-CD2 4.22Å; P219-L257 HydrophobicContact CB-CD1 3.48Å; P219-L257 VanDerWaalsContact CB-CD1 3.48Å; P219-L257 HydrophobicContact CB-CG 4.47Å; P219-L257 HydrophobicContact CG-CD1 4.46Å; P219-L365 HydrophobicContact CB-CD1 3.96Å; P219-L365 HydrophobicContact CG-CD1 4.32Å; P219-L365 HydrophobicContact CG-CD2 4.28Å
220V98.9Very high97.6Very high1 Ų129 Ų291%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-143.7160.9178.7-64.30000111.3Y191 L195 V197 I218 T233 R234 F407Y191-V220 HydrophobicContact CE2-CG1 4.09Å; Y191-V220 HydrophobicContact CE2-CG2 3.77Å; L195-V220 HydrophobicContact CB-CG1 4.2Å; L195-V220 HydrophobicContact CD1-CG1 4.19Å; L195-V220 HydrophobicContact CD2-CG1 4.25Å; L195-V220 HydrophobicContact CD2-CG2 4.48Å; L195-V220 HydrophobicContact CG-CG1 4.45Å; V197-V220 HydrophobicContact CG1-CG1 4.32Å; I218-V220 HydrophobicContact CG1-CG1 4.13Å; I218-V220 PolarHBondContact O-N 3.29Å; V220-T233 CarbonylContact O-C 3.59Å; V220-T233 WeakPolarHBondContact O-CA 3.38Å; V220-T233 WeakPolarHBondContact O-CB 3.36Å; V220-R234 HydrophobicContact CG2-CG 3.97Å; V220-R234 PolarHBondContact N-O 3.37Å; V220-R234 PolarHBondContact O-N 3.06Å; V220-F407 HydrophobicContact CG2-CE1 3.65Å; V220-F407 HydrophobicContact CG2-CZ 4.05Å
221L98.9Very high97.6Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-72.5129.4-177.5-16967.3000112.7Y166 I171 W176 A196 W223 L224 T233Y166-L221 HydrophobicContact CE1-CD2 4.49Å; I171-L221 HydrophobicContact CB-CD2 4.36Å; I171-L221 HydrophobicContact CG2-CD2 3.62Å; W176-L221 HydrophobicContact CD2-CD1 4.25Å; W176-L221 HydrophobicContact CD2-CD2 4.04Å; W176-L221 HydrophobicContact CE3-CB 3.79Å; W176-L221 HydrophobicContact CE3-CD1 4Å; W176-L221 HydrophobicContact CE3-CD2 3.83Å; W176-L221 HydrophobicContact CE3-CG 4.09Å; W176-L221 HydrophobicContact CG-CD2 4.44Å; W176-L221 HydrophobicContact CH2-CB 4.36Å; W176-L221 HydrophobicContact CH2-CD1 3.73Å; W176-L221 HydrophobicContact CZ2-CD1 3.97Å; W176-L221 HydrophobicContact CZ3-CB 3.58Å; W176-L221 HydrophobicContact CZ3-CD1 3.74Å; W176-L221 HydrophobicContact CZ3-CD2 4.34Å; W176-L221 HydrophobicContact CZ3-CG 4.08Å; A196-L221 HydrophobicContact CB-CB 3.87Å; A196-L221 HydrophobicContact CB-CD2 4.09Å; A196-L221 WeakPolarHBondContact O-CB 3.25Å; A196-L221 PolarHBondContact O-N 3.24Å; L221-W223 VanDerWaalsContact CD1-O 3.23Å; L221-W223 WeakPolarHBondContact CD1-O 3.47Å; L221-L224 HydrophobicContact CD1-CB 4.36Å; L221-L224 HydrophobicContact CD2-CB 4.32Å; L221-T233 HydrophobicContact CD1-CG2 4.38Å
222S98.9Very high97.6Very high0 Ų023.8 Ų23.80%012%0.116CC..EExtended strand (participates in β ladder)trans-95.3-46.3160.7-78.20000111.2Q169 L232 R234 K402 E403Q169-S222 PolarHBondContact OE1-O 2.82Å; S222-L232 WeakPolarHBondContact CA-O 3.49Å; S222-L232 WeakPolarHBondContact CB-O 3.43Å; S222-L232 PolarHBondContact N-O 3.43Å; S222-R234 WeakPolarHBondContact OG-CD 3.24Å; S222-K402 VanDerWaalsContact O-CE 3.32Å; S222-K402 WeakPolarHBondContact O-CE 3.48Å; S222-K402 PolarHBondContact O-NZ 3.26Å; S222-E403 PolarHBondContact OG-OE1 3.38Å; S222-E403 PolarHBondContact OG-OE2 3.47Å
223W98.8Very high97.7Very high7 Ų722.9 Ų22.93%0.02711%0.112CC..EExtended strand (participates in β ladder)trans-153.4149.9-176-173.385.2000112.9Q169 L221 H225 L232 I357 M383 L386 D387 Y390Q169-W223 VanDerWaalsContact OE1-CA 3.28Å; L221-W223 VanDerWaalsContact CD1-O 3.23Å; L221-W223 WeakPolarHBondContact CD1-O 3.47Å; W223-H225 VanDerWaalsContact CH2-CA 3.42Å; W223-H225 HydrophobicContact CH2-CB 3.86Å; W223-H225 HydrophobicContact CZ3-CB 3.6Å; W223-L232 HydrophobicContact CB-CB 4.15Å; W223-L232 HydrophobicContact CB-CD2 4.43Å; W223-L232 PolarHBondContact N-O 2.84Å; W223-L232 VanDerWaalsContact N-O 3.1Å; W223-L232 PolarHBondContact O-N 2.96Å; W223-I357 HydrophobicContact CE3-CG2 4.43Å; W223-I357 HydrophobicContact CZ3-CG2 3.74Å; W223-M383 HydrophobicContact CB-CE 4.43Å; W223-M383 HydrophobicContact CB-CG 3.73Å; W223-M383 HydrophobicContact CB-SD 4.27Å; W223-M383 HydrophobicContact CG-CG 4.14Å; W223-L386 HydrophobicContact CE3-CD1 3.97Å; W223-L386 HydrophobicContact CH2-CB 3.77Å; W223-L386 HydrophobicContact CH2-CD1 4.3Å; W223-L386 HydrophobicContact CH2-CG 4.46Å; W223-L386 HydrophobicContact CZ2-CB 4Å; W223-L386 HydrophobicContact CZ3-CB 4.1Å; W223-L386 HydrophobicContact CZ3-CD1 3.76Å; W223-L386 HydrophobicContact CZ3-CG 4.39Å; W223-D387 HydrophobicContact CZ2-CB 4.13Å; W223-D387 PolarHBondContact NE1-OD2 3.3Å; W223-D387 VanDerWaalsContact NE1-OD2 3.17Å; W223-Y390 AromaticContact CD1-CE2 3.9Å
224L98.4Very high97.7Very high3 Ų322.9 Ų22.92%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-126.2129178.6-171.466.1000111I171 N174 W176 L221 K229I171-L224 HydrophobicContact CB-CD2 4.48Å; I171-L224 HydrophobicContact CG2-CB 4.48Å; I171-L224 HydrophobicContact CG2-CD2 4.3Å; N174-L224 HydrophobicContact CB-CD2 3.63Å; W176-L224 HydrophobicContact CG-CD2 4.42Å; L221-L224 HydrophobicContact CD1-CB 4.36Å; L221-L224 HydrophobicContact CD2-CB 4.32Å; L224-K229 VanDerWaalsContact CD1-O 3.3Å; L224-K229 WeakPolarHBondContact CD1-O 3.46Å
225H97.3Very high97.7Very high5 Ų522.1 Ų22.12%0.02311%0.107CC..  trans-67.3126.9177.5-171.7-56.9000110.7W223 E227 S228 K229 A230 I357 E358 K361W223-H225 VanDerWaalsContact CH2-CA 3.42Å; W223-H225 HydrophobicContact CH2-CB 3.86Å; W223-H225 HydrophobicContact CZ3-CB 3.6Å; H225-E227 VanDerWaalsContact C-N 3.32Å; H225-E227 PolarHBondContact ND1-N 3.19Å; H225-E227 VanDerWaalsContact ND1-N 3.1Å; H225-E227 PolarHBondContact O-N 2.97Å; H225-S228 WeakPolarHBondContact CB-OG 3.46Å; H225-S228 PolarHBondContact CD2-OG 2.89Å; H225-S228 PolarHBondContact ND1-N 3.47Å; H225-S228 VanDerWaalsContact ND1-N 3.15Å; H225-S228 PolarHBondContact ND1-OG 3.12Å; H225-K229 WeakPolarHBondContact O-CA 3.3Å; H225-K229 PolarHBondContact O-N 3.44Å; H225-K229 VanDerWaalsContact O-N 3.1Å; H225-A230 HydrophobicContact CB-CB 4.26Å; H225-A230 WeakPolarHBondContact CB-O 3.34Å; H225-A230 PolarHBondContact N-O 3.15Å; H225-I357 HydrophobicContact CB-CG2 4.28Å; H225-E358 IonicContact CD2-OE2 3.81Å; H225-E358 IonicContact NE2-OE1 2.79Å; H225-E358 IonicContact NE2-OE2 2.71Å; H225-E358 PolarHBondContact NE2-OE2 3.29Å; H225-K361 PolarHBondContact NE2-NZ 2.85Å; H225-K361 VanDerWaalsContact NE2-NZ 3.19Å
226P94.3Very high97.8Very high77 Ų7715.9 Ų15.950%0.58%0.083SC..THydrogen-bonded Turntrans-63.3-34.2-171.122.6-33.9000113.8
227E93.2Very high97.8Very high140 Ų14015.9 Ų15.965%0.6548%0.081SC*.THydrogen-bonded Turntrans-98-53.6-178.6-56.5168-172.800113.4H225H225-E227 VanDerWaalsContact C-N 3.32Å; H225-E227 PolarHBondContact ND1-N 3.19Å; H225-E227 VanDerWaalsContact ND1-N 3.1Å; H225-E227 PolarHBondContact O-N 2.97Å
228S94.5Very high97.7Very high10 Ų1015.9 Ų15.97%0.078%0.081CC..THydrogen-bonded Turntrans-83-11.4-173.171.60000114.6H225 A230 N261 N263H225-S228 WeakPolarHBondContact CB-OG 3.46Å; H225-S228 PolarHBondContact CD2-OG 2.89Å; H225-S228 PolarHBondContact ND1-N 3.47Å; H225-S228 VanDerWaalsContact ND1-N 3.15Å; H225-S228 PolarHBondContact ND1-OG 3.12Å; S228-A230 PolarHBondContact O-N 3.1Å; S228-A230 WeakPolarHBondContact OG-CB 3.47Å; S228-A230 PolarHBondContact OG-N 3.26Å; S228-N261 PolarHBondContact O-OD1 2.91Å; S228-N263 PolarHBondContact O-ND2 3.11Å
229K95.1Very high97.7Very high81 Ų8117.8 Ų17.835%0.3529%0.091SC..  trans59.512.6-175.2-45.6-179.1-174.3-172.20114.1N174 L224 H225 S231N174-K229 HydrophobicContact CB-CD 4.43Å; N174-K229 HydrophobicContact CB-CG 4.48Å; N174-K229 WeakPolarHBondContact OD1-CE 3.33Å; L224-K229 VanDerWaalsContact CD1-O 3.3Å; L224-K229 WeakPolarHBondContact CD1-O 3.46Å; H225-K229 WeakPolarHBondContact O-CA 3.3Å; H225-K229 PolarHBondContact O-N 3.44Å; H225-K229 VanDerWaalsContact O-N 3.1Å; K229-S231 PolarHBondContact O-N 3.07Å
230A97.6Very high97.6Very high0 Ų018.7 Ų18.70%010%0.096CC..  trans-61.7126.2169.300000109.3H225 S228 I357H225-A230 HydrophobicContact CB-CB 4.26Å; H225-A230 WeakPolarHBondContact CB-O 3.34Å; H225-A230 PolarHBondContact N-O 3.15Å; S228-A230 PolarHBondContact O-N 3.1Å; S228-A230 WeakPolarHBondContact OG-CB 3.47Å; S228-A230 PolarHBondContact OG-N 3.26Å; A230-I357 HydrophobicContact CB-CG2 4.09Å
231S98.5Very high97.5Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-100.6142.5-175.2600000111.7W176 K229 S363 V364W176-S231 VanDerWaalsContact CZ2-CB 3.45Å; K229-S231 PolarHBondContact O-N 3.07Å; S231-S363 PolarHBondContact N-OG 3.27Å; S231-S363 VanDerWaalsContact N-OG 3.08Å; S231-S363 CarbonylContact O-C 3.49Å; S231-S363 WeakPolarHBondContact O-CA 3.45Å; S231-S363 WeakPolarHBondContact OG-CB 3.38Å; S231-S363 PolarHBondContact OG-OG 2.93Å; S231-V364 PolarHBondContact O-N 3.44Å
232L98.9Very high97.3Very high0 Ų024.4 Ų24.40%013%0.132CC..EExtended strand (participates in β ladder)trans-98.9112160.6178.155.5000107.8S222 W223 V353 I357 V364 I366 T379 A382 M383S222-L232 WeakPolarHBondContact CA-O 3.49Å; S222-L232 WeakPolarHBondContact CB-O 3.43Å; S222-L232 PolarHBondContact N-O 3.43Å; W223-L232 HydrophobicContact CB-CB 4.15Å; W223-L232 HydrophobicContact CB-CD2 4.43Å; W223-L232 PolarHBondContact N-O 2.84Å; W223-L232 VanDerWaalsContact N-O 3.1Å; W223-L232 PolarHBondContact O-N 2.96Å; L232-V353 HydrophobicContact CD1-CG1 3.59Å; L232-I357 HydrophobicContact CB-CD1 3.69Å; L232-I357 HydrophobicContact CD1-CD1 4.21Å; L232-I357 HydrophobicContact CG-CD1 4.4Å; L232-V364 HydrophobicContact CD1-CB 4.4Å; L232-V364 HydrophobicContact CD1-CG1 4.15Å; L232-I366 HydrophobicContact CD1-CG2 3.98Å; L232-T379 HydrophobicContact CD1-CG2 4.34Å; L232-T379 HydrophobicContact CD2-CG2 4.32Å; L232-T379 HydrophobicContact CG-CG2 4.34Å; L232-A382 HydrophobicContact CD2-CB 4.09Å; L232-M383 HydrophobicContact CD2-CG 3.99Å
233T98.9Very high97.1Very high0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans-116.4148.9179.1580000110.8W176 V220 L221 L257 V364 L365 I366W176-T233 HydrophobicContact CH2-CG2 3.64Å; W176-T233 HydrophobicContact CZ3-CG2 4.32Å; V220-T233 CarbonylContact O-C 3.59Å; V220-T233 WeakPolarHBondContact O-CA 3.38Å; V220-T233 WeakPolarHBondContact O-CB 3.36Å; L221-T233 HydrophobicContact CD1-CG2 4.38Å; T233-L257 HydrophobicContact CG2-CD1 4.1Å; T233-L257 HydrophobicContact CG2-CD2 4.1Å; T233-V364 PolarHBondContact N-O 2.87Å; T233-V364 PolarHBondContact OG1-O 3.38Å; T233-L365 WeakPolarHBondContact O-CA 3.29Å; T233-L365 VanDerWaalsContact OG1-CA 3.25Å; T233-L365 WeakPolarHBondContact OG1-CA 3.47Å; T233-L365 WeakPolarHBondContact OG1-CB 3.43Å; T233-L365 WeakPolarHBondContact OG1-CD1 3.46Å; T233-I366 WeakPolarHBondContact O-CG2 3.48Å; T233-I366 PolarHBondContact O-N 3.28Å
234R98.9Very high96.9Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-124148-17765.2-178.3-65.2165.81.1111.7Y191 P219 V220 S222 I366 G371 T375 T376 T379 E403 F407Y191-R234 PolarHBondContact OH-O 3.2Å; P219-R234 VanDerWaalsContact CA-O 3.31Å; P219-R234 WeakPolarHBondContact CA-O 3.37Å; V220-R234 HydrophobicContact CG2-CG 3.97Å; V220-R234 PolarHBondContact N-O 3.37Å; V220-R234 PolarHBondContact O-N 3.06Å; S222-R234 WeakPolarHBondContact OG-CD 3.24Å; R234-I366 WeakPolarHBondContact CA-O 3.49Å; R234-G371 PolarHBondContact NH2-O 2.92Å; R234-T375 HydrophobicContact CB-CG2 3.85Å; R234-T376 PolarHBondContact NH2-OG1 3.49Å; R234-T379 HydrophobicContact CB-CG2 4.16Å; R234-E403 IonicContact CZ-OE2 3.68Å; R234-E403 PolarHBondContact NH1-O 2.93Å; R234-E403 IonicContact NH1-OE1 3.93Å; R234-E403 IonicContact NH1-OE2 3.75Å; R234-E403 PolarHBondContact NH1-OE2 3.04Å; R234-F407 HydrophobicContact CG-CE1 4.39Å; R234-F407 VanDerWaalsContact CZ-CB 3.42Å; R234-F407 VanDerWaalsContact NH1-CB 3.28Å
235A98.8Very high96.8Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-153.2177.7174.300000112.2P219 L365 I366 H367 G371P219-A235 HydrophobicContact CB-CB 4.35Å; P219-A235 HydrophobicContact CG-CB 3.99Å; A235-L365 HydrophobicContact CB-CD1 3.92Å; A235-I366 PolarHBondContact N-O 3.1Å; A235-H367 HydrophobicContact CB-CB 4.29Å; A235-H367 WeakPolarHBondContact O-CA 3.27Å; A235-H367 WeakPolarHBondContact O-CB 3.44Å; A235-G371 WeakPolarHBondContact O-CA 3.39Å
236S98.8Very high96.7Very high0 Ų048 Ų480%024%0.24CC..PPolyproline II helixtrans-91.9172.2155.569.50000111.6R213 S214 R217 D370R213-S236 WeakPolarHBondContact CD-O 3.16Å; R213-S236 PolarHBondContact NH1-O 3.33Å; S214-S236 WeakPolarHBondContact CA-OG 3.37Å; S214-S236 PolarHBondContact N-OG 3.49Å; S214-S236 WeakPolarHBondContact O-CB 3.38Å; S214-S236 PolarHBondContact O-OG 2.97Å; R217-S236 PolarHBondContact O-N 3.01Å; R217-S236 PolarHBondContact O-OG 3.44Å; S236-D370 WeakPolarHBondContact CB-O 3.48Å
237Q98.5Very high96.9Very high10 Ų1045 Ų455%0.04722%0.22CC..PPolyproline II helixtrans-60.7151.5175.370.5-171.2-48.900112.2S214 G287 C368 S369S214-Q237 PolarHBondContact N-O 3.42Å; Q237-G287 VanDerWaalsContact OE1-N 3.08Å; Q237-C368 WeakPolarHBondContact CB-O 3.48Å; Q237-S369 VanDerWaalsContact CG-O 3.27Å; Q237-S369 WeakPolarHBondContact CG-O 3.48Å; Q237-S369 PolarHBondContact N-O 2.94Å; Q237-S369 VanDerWaalsContact N-O 3.1Å; Q237-S369 PolarHBondContact NE2-O 2.85Å
238P98.3Very high97.1Very high0 Ų042.1 Ų42.10%022%0.216CC..BIsolated β-bridgetrans-71.1151.316732.3-35.5000111.3H212 V240 G286 G287 E289H212-P238 CarbonylContact O-C 3.43Å; H212-P238 WeakPolarHBondContact O-CA 3.34Å; P238-V240 VanDerWaalsContact C-N 3.3Å; P238-V240 HydrophobicContact CB-CG2 3.94Å; P238-V240 HydrophobicContact CG-CG2 3.92Å; P238-V240 PolarHBondContact O-N 3.33Å; P238-G286 CarbonylContact O-C 3.55Å; P238-G286 VanDerWaalsContact O-C 3.27Å; P238-G287 PolarHBondContact O-N 2.85Å; P238-E289 HydrophobicContact CG-CG 4.16Å
239L98.1Very high97.3Very high40 Ų4044.5 Ų44.521%0.20923%0.228CC..  trans-93.855-179.2-63.5-179.6000111.4H212 R245 G285H212-L239 WeakPolarHBondContact O-CB 3.41Å; H212-L239 PolarHBondContact O-N 3Å; L239-R245 VanDerWaalsContact O-CZ 3.32Å; L239-R245 PolarHBondContact O-NE 3.48Å; L239-R245 VanDerWaalsContact O-NE 3.12Å; L239-R245 PolarHBondContact O-NH2 3.34Å; L239-G285 CarbonylContact C-O 3.52Å; L239-G285 WeakPolarHBondContact CA-O 3.46Å
240V97Very high97.5Very high19 Ų1940.6 Ų40.612%0.11521%0.211CC..  trans-66-46.6-177.9178.30000111.2P238 R245P238-V240 VanDerWaalsContact C-N 3.3Å; P238-V240 HydrophobicContact CB-CG2 3.94Å; P238-V240 HydrophobicContact CG-CG2 3.92Å; P238-V240 PolarHBondContact O-N 3.33Å; V240-R245 VanDerWaalsContact O-CB 3.31Å; V240-R245 WeakPolarHBondContact O-CB 3.18Å; V240-R245 PolarHBondContact O-N 3.1Å
241G96.2Very high97.5Very high6 Ų643.4 Ų43.46%0.06222%0.223CC..THydrogen-bonded Turntrans63.1-178.7-176.500000113.9Q243 G244 M282 G285 G286G241-Q243 PolarHBondContact O-N 2.92Å; G241-G244 PolarHBondContact O-N 3.33Å; G241-G244 VanDerWaalsContact O-N 3.11Å; G241-M282 CarbonylContact C-O 3.57Å; G241-M282 WeakPolarHBondContact CA-O 3.46Å; G241-G285 PolarHBondContact N-O 3.36Å; G241-G286 WeakPolarHBondContact CA-O 3.45Å; G241-G286 PolarHBondContact N-O 3.08Å
242V94.8Very high97.5Very high115 Ų11546.3 Ų46.370%0.69724%0.237SC*.THydrogen-bonded Turntrans-61.7-25.9179.3-610000113.6G244 M282V242-G244 PolarHBondContact O-N 2.95Å; V242-M282 PolarHBondContact N-O 3.38Å
243Q94Very high97.5Very high171 Ų17146.3 Ų46.380%0.79924%0.237SC*.THydrogen-bonded Turntrans-79.8-3.8179.1-68.1179.5-16.800113.2G241 R245G241-Q243 PolarHBondContact O-N 2.92Å; Q243-R245 HydrophobicContact CB-CG 4.43Å; Q243-R245 PolarHBondContact O-N 3.3Å
244G94.3Very high97.4Very high38 Ų3846.4 Ų46.439%0.39224%0.237SC..THydrogen-bonded Turntrans67.335179.300000113.2G241 V242G241-G244 PolarHBondContact O-N 3.33Å; G241-G244 VanDerWaalsContact O-N 3.11Å; V242-G244 PolarHBondContact O-N 2.95Å
245R96.2Very high97.4Very high127 Ų12750.3 Ų50.348%0.47925%0.252SS..  trans-55.8142.4-179-64.9-171.6-62.5177.7-1.8110.7L239 V240 Q243L239-R245 VanDerWaalsContact O-CZ 3.32Å; L239-R245 PolarHBondContact O-NE 3.48Å; L239-R245 VanDerWaalsContact O-NE 3.12Å; L239-R245 PolarHBondContact O-NH2 3.34Å; V240-R245 VanDerWaalsContact O-CB 3.31Å; V240-R245 WeakPolarHBondContact O-CB 3.18Å; V240-R245 PolarHBondContact O-N 3.1Å; Q243-R245 HydrophobicContact CB-CG 4.43Å; Q243-R245 PolarHBondContact O-N 3.3Å
246R96.4Very high97.3Very high174 Ų17451.1 Ų51.166%0.65726%0.256SS*.  trans-123.2154.3-178.6-70.8168.7-179.6-1671.3109.3Y293R246-Y293 HydrophobicContact CB-CE1 3.97Å; R246-Y293 HydrophobicContact CB-CE2 3.97Å; R246-Y293 HydrophobicContact CG-CD1 4.25Å; R246-Y293 HydrophobicContact CG-CD2 4Å; R246-Y293 HydrophobicContact CG-CE1 4.11Å; R246-Y293 HydrophobicContact CG-CE2 3.88Å; R246-Y293 HydrophobicContact CG-CG 4.2Å
247S97.7Very high97.3Very high13 Ų1351.1 Ų51.19%0.09126%0.256CS..  trans-133.3120.4172.8167.70000108.6H212 D249 D250 K251 Y293H212-S247 VanDerWaalsContact CG-CB 3.42Å; S247-D249 VanDerWaalsContact C-N 3.26Å; S247-D249 PolarHBondContact OG-N 3.19Å; S247-D250 PolarHBondContact OG-N 3.19Å; S247-K251 WeakPolarHBondContact O-CB 3.5Å; S247-K251 PolarHBondContact O-N 3.05Å; S247-Y293 VanDerWaalsContact C-OH 3.28Å; S247-Y293 PolarHBondContact O-OH 3.29Å
248S98Very high97.2Very high81 Ų8152.1 Ų52.157%0.56626%0.259SS*.Hα-helixtrans-63.3-36.2173.542.30000111.4K251 E252 Y293S248-K251 WeakPolarHBondContact O-CB 3.38Å; S248-K251 PolarHBondContact O-N 3.34Å; S248-E252 WeakPolarHBondContact O-CB 3.47Å; S248-E252 PolarHBondContact O-N 3.08Å; S248-Y293 PolarHBondContact N-OH 3.48Å
249D98.6Very high97Very high59 Ų5955.7 Ų55.732%0.31628%0.278SS..Hα-helixtrans-66.1-48178.3-51.3-71.1000110.7L205 A208 C209 S247 K251 E252 L253L205-D249 HydrophobicContact CD1-CB 3.88Å; A208-D249 HydrophobicContact CB-CB 3.88Å; C209-D249 PolarHBondContact SG-O 3.3Å; S247-D249 VanDerWaalsContact C-N 3.26Å; S247-D249 PolarHBondContact OG-N 3.19Å; D249-K251 VanDerWaalsContact C-N 3.31Å; D249-K251 PolarHBondContact O-N 3.43Å; D249-E252 PolarHBondContact O-N 3.46Å; D249-E252 VanDerWaalsContact O-N 3.12Å; D249-L253 PolarHBondContact O-N 3.08Å
250D98.4Very high96.9Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-63.2-39.3176-171.782.3000111.7H212 R213 S247 E252 L253 V254 Y294H212-D250 HydrophobicContact CB-CB 4.43Å; H212-D250 IonicContact CD2-OD2 2.9Å; R213-D250 IonicContact CZ-OD1 2.78Å; R213-D250 IonicContact CZ-OD2 2.75Å; R213-D250 IonicContact NE-OD1 3.87Å; R213-D250 PolarHBondContact NE-OD1 2.77Å; R213-D250 IonicContact NE-OD2 3.94Å; R213-D250 IonicContact NH2-OD1 2.84Å; R213-D250 PolarHBondContact NH2-OD1 2.92Å; R213-D250 VanDerWaalsContact NH2-OD1 3.1Å; R213-D250 IonicContact NH2-OD2 3.97Å; R213-D250 PolarHBondContact NH2-OD2 3.4Å; S247-D250 PolarHBondContact OG-N 3.19Å; D250-E252 VanDerWaalsContact C-N 3.31Å; D250-E252 PolarHBondContact O-N 3.06Å; D250-L253 PolarHBondContact O-N 2.95Å; D250-V254 WeakPolarHBondContact O-CB 3.05Å; D250-V254 VanDerWaalsContact O-CG2 3.3Å; D250-V254 WeakPolarHBondContact O-CG2 3.32Å; D250-V254 PolarHBondContact O-N 2.94Å; D250-Y294 WeakPolarHBondContact OD2-CE1 3.32Å; D250-Y294 PolarHBondContact OD2-OH 3.47Å
251K98.1Very high96.8Very high58 Ų5854.2 Ų54.225%0.25227%0.273SS..Hα-helixtrans-58.1-44.8172.8-175.4-178.5173.2-177.10111S247 S248 D249 R255 Y293 Y294 E295S247-K251 WeakPolarHBondContact O-CB 3.5Å; S247-K251 PolarHBondContact O-N 3.05Å; S248-K251 WeakPolarHBondContact O-CB 3.38Å; S248-K251 PolarHBondContact O-N 3.34Å; D249-K251 VanDerWaalsContact C-N 3.31Å; D249-K251 PolarHBondContact O-N 3.43Å; K251-R255 WeakPolarHBondContact O-CB 3.12Å; K251-R255 PolarHBondContact O-N 3.18Å; K251-Y293 HydrophobicContact CB-CE1 3.81Å; K251-Y293 HydrophobicContact CD-CE1 4.14Å; K251-Y293 HydrophobicContact CD-CE2 4.15Å; K251-Y293 WeakPolarHBondContact CE-O 3.39Å; K251-Y293 HydrophobicContact CG-CE1 4.27Å; K251-Y294 HydrophobicContact CB-CE1 4.38Å; K251-Y294 HydrophobicContact CG-CD1 4.43Å; K251-E295 WeakPolarHBondContact CE-OE1 3.38Å; K251-E295 IonicContact NZ-OE1 3.39Å; K251-E295 PolarHBondContact NZ-OE1 3.49Å
252E98.4Very high96.4Very high62 Ų6258.5 Ų58.529%0.2931%0.308SS..Hα-helixtrans-68-43.1178.6-17956.2-156.900111.8L205 S248 D249 D250 V254 R255 Q256L205-E252 HydrophobicContact CD1-CB 4.26Å; L205-E252 HydrophobicContact CD1-CG 4.35Å; L205-E252 HydrophobicContact CD2-CG 4.01Å; S248-E252 WeakPolarHBondContact O-CB 3.47Å; S248-E252 PolarHBondContact O-N 3.08Å; D249-E252 PolarHBondContact O-N 3.46Å; D249-E252 VanDerWaalsContact O-N 3.12Å; D250-E252 VanDerWaalsContact C-N 3.31Å; D250-E252 PolarHBondContact O-N 3.06Å; E252-V254 VanDerWaalsContact C-N 3.34Å; E252-V254 PolarHBondContact O-N 3.39Å; E252-R255 CarbonylContact O-C 3.59Å; E252-R255 WeakPolarHBondContact O-CA 3.47Å; E252-R255 WeakPolarHBondContact O-CB 3.35Å; E252-R255 PolarHBondContact O-N 2.95Å; E252-R255 IonicContact OE1-CZ 3.77Å; E252-R255 IonicContact OE1-NE 3.39Å; E252-R255 PolarHBondContact OE1-NE 3.49Å; E252-R255 IonicContact OE1-NH2 2.76Å; E252-R255 PolarHBondContact OE1-NH2 3.15Å; E252-R255 WeakPolarHBondContact OE2-CD 3.15Å; E252-R255 IonicContact OE2-CZ 3.51Å; E252-R255 IonicContact OE2-NE 3.53Å; E252-R255 PolarHBondContact OE2-NE 3.08Å; E252-R255 IonicContact OE2-NH2 3.7Å; E252-Q256 WeakPolarHBondContact O-CG 3.29Å; E252-Q256 PolarHBondContact O-N 2.59Å; E252-Q256 PolarHBondContact OE1-NE2 3.16Å
253L98.5Very high96Very high0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-60.4-44176.1179.456.9000111.7V201 L205 L206 C209 I218 P219 D249 D250 R255 Q256 L257V201-L253 HydrophobicContact CB-CD1 4.49Å; V201-L253 HydrophobicContact CG1-CD1 3.85Å; V201-L253 HydrophobicContact CG2-CD1 3.75Å; L205-L253 HydrophobicContact CD2-CB 4.39Å; L206-L253 HydrophobicContact CD2-CD1 4.2Å; L206-L253 HydrophobicContact CD2-CD2 4.29Å; C209-L253 HydrophobicContact CB-CD2 3.94Å; I218-L253 HydrophobicContact CB-CD2 4.27Å; P219-L253 HydrophobicContact CB-CD2 4.43Å; P219-L253 HydrophobicContact CG-CD2 4.22Å; D249-L253 PolarHBondContact O-N 3.08Å; D250-L253 PolarHBondContact O-N 2.95Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.49Å; L253-Q256 WeakPolarHBondContact O-CB 3.49Å; L253-Q256 PolarHBondContact O-N 2.99Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.66Å
254V98.1Very high95.6Very high2 Ų251 Ų511%0.01227%0.271CS..Hα-helixtrans-62.8-37.8173.71720000111.3D250 E252 Q256 L257 R258 L267 Y294 V297 L365D250-V254 WeakPolarHBondContact O-CB 3.05Å; D250-V254 VanDerWaalsContact O-CG2 3.3Å; D250-V254 WeakPolarHBondContact O-CG2 3.32Å; D250-V254 PolarHBondContact O-N 2.94Å; E252-V254 VanDerWaalsContact C-N 3.34Å; E252-V254 PolarHBondContact O-N 3.39Å; V254-Q256 VanDerWaalsContact C-N 3.34Å; V254-Q256 PolarHBondContact O-N 3.45Å; V254-L257 PolarHBondContact O-N 3.15Å; V254-R258 PolarHBondContact O-N 2.99Å; V254-R258 VanDerWaalsContact O-N 3.14Å; V254-L267 HydrophobicContact CG1-CD2 3.68Å; V254-Y294 HydrophobicContact CB-CD1 3.81Å; V254-Y294 HydrophobicContact CB-CE1 4.02Å; V254-Y294 HydrophobicContact CG1-CD1 3.73Å; V254-Y294 HydrophobicContact CG1-CE1 4.34Å; V254-Y294 HydrophobicContact CG2-CD1 4.03Å; V254-Y294 HydrophobicContact CG2-CE1 3.78Å; V254-V297 HydrophobicContact CG1-CG2 4.22Å; V254-L365 HydrophobicContact CG2-CD2 4.33Å
255R97.5Very high95.3Very high81 Ų8155.7 Ų55.731%0.30629%0.287SS..Hα-helixtrans-60.3-43.3173.3-161.5-172.272.980.22.7111.4K251 E252 L253 R258 I259K251-R255 WeakPolarHBondContact O-CB 3.12Å; K251-R255 PolarHBondContact O-N 3.18Å; E252-R255 CarbonylContact O-C 3.59Å; E252-R255 WeakPolarHBondContact O-CA 3.47Å; E252-R255 WeakPolarHBondContact O-CB 3.35Å; E252-R255 PolarHBondContact O-N 2.95Å; E252-R255 IonicContact OE1-CZ 3.77Å; E252-R255 IonicContact OE1-NE 3.39Å; E252-R255 PolarHBondContact OE1-NE 3.49Å; E252-R255 IonicContact OE1-NH2 2.76Å; E252-R255 PolarHBondContact OE1-NH2 3.15Å; E252-R255 WeakPolarHBondContact OE2-CD 3.15Å; E252-R255 IonicContact OE2-CZ 3.51Å; E252-R255 IonicContact OE2-NE 3.53Å; E252-R255 PolarHBondContact OE2-NE 3.08Å; E252-R255 IonicContact OE2-NH2 3.7Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.49Å; R255-R258 VanDerWaalsContact CG-NH2 3.35Å; R255-R258 WeakPolarHBondContact O-CB 3.38Å; R255-R258 PolarHBondContact O-N 3.23Å; R255-I259 PolarHBondContact O-N 3.06Å
256Q97.9Very high95.2Very high17 Ų1752.4 Ų52.48%0.07928%0.279CS..Hα-helixtrans-63.2-41.1178.4-68.7-65.9-21.800112P198 V201 E252 L253 V254 R258 I259 A260P198-Q256 HydrophobicContact CG-CB 4.42Å; V201-Q256 HydrophobicContact CG2-CB 3.46Å; V201-Q256 VanDerWaalsContact CG2-CB 3.46Å; V201-Q256 HydrophobicContact CG2-CG 3.77Å; E252-Q256 WeakPolarHBondContact O-CG 3.29Å; E252-Q256 PolarHBondContact O-N 2.59Å; E252-Q256 PolarHBondContact OE1-NE2 3.16Å; L253-Q256 WeakPolarHBondContact O-CB 3.49Å; L253-Q256 PolarHBondContact O-N 2.99Å; V254-Q256 VanDerWaalsContact C-N 3.34Å; V254-Q256 PolarHBondContact O-N 3.45Å; Q256-R258 VanDerWaalsContact C-N 3.3Å; Q256-R258 PolarHBondContact O-N 3.14Å; Q256-I259 PolarHBondContact O-N 2.9Å; Q256-A260 WeakPolarHBondContact O-CB 3.37Å; Q256-A260 PolarHBondContact O-N 2.88Å
257L97.6Very high95.3Very high1 Ų144.1 Ų44.11%0.00525%0.248CC..Hα-helixtrans-60.3-40.5173.4-63-169000112.7W176 P198 P219 T233 L253 V254 L267 L365W176-L257 HydrophobicContact CH2-CD2 3.85Å; W176-L257 HydrophobicContact CZ3-CD2 4.29Å; P198-L257 HydrophobicContact CG-CD2 3.68Å; P219-L257 HydrophobicContact CB-CD1 3.48Å; P219-L257 VanDerWaalsContact CB-CD1 3.48Å; P219-L257 HydrophobicContact CB-CG 4.47Å; P219-L257 HydrophobicContact CG-CD1 4.46Å; T233-L257 HydrophobicContact CG2-CD1 4.1Å; T233-L257 HydrophobicContact CG2-CD2 4.1Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.66Å; V254-L257 PolarHBondContact O-N 3.15Å; L257-L267 HydrophobicContact CB-CD2 4.44Å; L257-L365 HydrophobicContact CD1-CD1 4.39Å; L257-L365 HydrophobicContact CD1-CD2 4.5Å
258R96.3Very high95.3Very high30 Ų3043.8 Ų43.811%0.11325%0.246CC..Hα-helixtrans-64.3-52.5179-175.2-174.573.1-1404.5111.1V254 R255 Q256 A260 N261 N265 L267 E295V254-R258 PolarHBondContact O-N 2.99Å; V254-R258 VanDerWaalsContact O-N 3.14Å; R255-R258 VanDerWaalsContact CG-NH2 3.35Å; R255-R258 WeakPolarHBondContact O-CB 3.38Å; R255-R258 PolarHBondContact O-N 3.23Å; Q256-R258 VanDerWaalsContact C-N 3.3Å; Q256-R258 PolarHBondContact O-N 3.14Å; R258-A260 VanDerWaalsContact C-N 3.26Å; R258-A260 PolarHBondContact O-N 3Å; R258-N261 PolarHBondContact O-N 3.21Å; R258-N265 WeakPolarHBondContact CD-O 3.43Å; R258-L267 HydrophobicContact CB-CB 3.93Å; R258-L267 HydrophobicContact CG-CB 3.97Å; R258-E295 PolarHBondContact NH1-O 3.34Å
259I95.6Very high95.3Very high76 Ų7640 Ų4039%0.3922%0.219SC..Hα-helixtrans-73.9-16.4-175.170.2-179.1000113.3R255 Q256 N261R255-I259 PolarHBondContact O-N 3.06Å; Q256-I259 PolarHBondContact O-N 2.9Å; I259-N261 PolarHBondContact O-N 2.83Å
260A95.3Very high95.3Very high25 Ų2537.2 Ų37.221%0.20720%0.204CC..THydrogen-bonded Turntrans-61.4-21.4173.400000112.9W176 P198 Q256 R258W176-A260 HydrophobicContact CZ2-CB 4.07Å; P198-A260 HydrophobicContact CB-CB 4.12Å; P198-A260 HydrophobicContact CG-CB 4.08Å; Q256-A260 WeakPolarHBondContact O-CB 3.37Å; Q256-A260 PolarHBondContact O-N 2.88Å; R258-A260 VanDerWaalsContact C-N 3.26Å; R258-A260 PolarHBondContact O-N 3Å
261N94.4Very high95.3Very high3 Ų337.2 Ų37.22%0.01620%0.204CC..  trans-106.794.5171.2178.36.5000110.6S228 R258 I259 N263 A264 K361 S363S228-N261 PolarHBondContact O-OD1 2.91Å; R258-N261 PolarHBondContact O-N 3.21Å; I259-N261 PolarHBondContact O-N 2.83Å; N261-N263 PolarHBondContact O-N 2.88Å; N261-N263 VanDerWaalsContact O-N 3.12Å; N261-N263 WeakPolarHBondContact OD1-CB 3.43Å; N261-N263 PolarHBondContact OD1-N 2.95Å; N261-A264 PolarHBondContact O-N 2.7Å; N261-K361 PolarHBondContact ND2-O 2.78Å; N261-S363 WeakPolarHBondContact CB-OG 3.2Å; N261-S363 PolarHBondContact ND2-N 3.11Å; N261-S363 PolarHBondContact ND2-OG 3.09Å; N261-S363 VanDerWaalsContact ND2-OG 3.16Å
262A87.6Confident95.3Very high96 Ų9634.4 Ų34.479%0.79319%0.192SC*.THydrogen-bonded Turntrans-64.8-12.5178.400000114.3
263N86.8Confident95.3Very high109 Ų10931.5 Ų31.558%0.58318%0.178SC*.THydrogen-bonded Turntrans-85.8-8.5-179.3-61.1-47.7000113.2S228 N261S228-N263 PolarHBondContact O-ND2 3.11Å; N261-N263 PolarHBondContact O-N 2.88Å; N261-N263 VanDerWaalsContact O-N 3.12Å; N261-N263 WeakPolarHBondContact OD1-CB 3.43Å; N261-N263 PolarHBondContact OD1-N 2.95Å
264A86.5Confident95.3Very high18 Ų1831.7 Ų31.715%0.14918%0.179CC..  trans-136.3133.3-178.800000111.9N261 N266N261-A264 PolarHBondContact O-N 2.7Å; A264-N266 VanDerWaalsContact C-N 3.35Å
265N88Confident95.3Very high137 Ų13737 Ų3773%0.73320%0.204SC*.SBendtrans-77.6-21.9177.7-70.8-27.2000113.3R258 N296R258-N265 WeakPolarHBondContact CD-O 3.43Å; N265-N296 WeakPolarHBondContact O-CB 3.49Å
266N94Very high95.3Very high58 Ų5838 Ų3831%0.3122%0.219SC..  trans-116.5146.7-173.3-61.1-33.6000111.9A264 N296A264-N266 VanDerWaalsContact C-N 3.35Å; N266-N296 CarbonylContact C-O 3.59Å; N266-N296 WeakPolarHBondContact CA-O 3.37Å; N266-N296 WeakPolarHBondContact CB-O 3.47Å; N266-N296 WeakPolarHBondContact OD1-CB 3.31Å; N266-N296 PolarHBondContact OD1-ND2 3.34Å
267L97.1Very high95.2Very high0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-98.3132.7165.9178.174.1000108.9V254 L257 R258 I269 N296 V297 Q298 L365V254-L267 HydrophobicContact CG1-CD2 3.68Å; L257-L267 HydrophobicContact CB-CD2 4.44Å; R258-L267 HydrophobicContact CB-CB 3.93Å; R258-L267 HydrophobicContact CG-CB 3.97Å; L267-I269 HydrophobicContact CD2-CG1 4.25Å; L267-I269 HydrophobicContact CG-CG1 4.47Å; L267-N296 PolarHBondContact N-O 3.1Å; L267-V297 HydrophobicContact CB-CG2 4.29Å; L267-V297 WeakPolarHBondContact O-CA 3.33Å; L267-Q298 PolarHBondContact O-N 3.39Å; L267-L365 HydrophobicContact CD1-CB 4.48Å; L267-L365 HydrophobicContact CD2-CB 4.2Å
268L97.5Very high95.2Very high7 Ų738.8 Ų38.84%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-95119.8173.4-17958.6000110.2F270 Q298 K356 T362 S363 V364 L365L268-F270 HydrophobicContact CD2-CD2 4.16Å; L268-F270 HydrophobicContact CD2-CE1 4.4Å; L268-F270 HydrophobicContact CD2-CE2 3.36Å; L268-F270 HydrophobicContact CD2-CZ 3.52Å; L268-F270 HydrophobicContact CG-CD2 4.13Å; L268-F270 HydrophobicContact CG-CE2 3.83Å; L268-F270 HydrophobicContact CG-CZ 4.15Å; L268-Q298 HydrophobicContact CD1-CB 3.72Å; L268-K356 HydrophobicContact CD2-CB 3.97Å; L268-K356 HydrophobicContact CD2-CD 3.78Å; L268-K356 HydrophobicContact CD2-CG 3.55Å; L268-T362 HydrophobicContact CB-CG2 4.1Å; L268-S363 PolarHBondContact N-O 2.91Å; L268-V364 HydrophobicContact CB-CG2 4.38Å; L268-V364 HydrophobicContact CD2-CG2 4.5Å; L268-V364 CarbonylContact O-C 3.4Å; L268-V364 VanDerWaalsContact O-CA 3.28Å; L268-V364 WeakPolarHBondContact O-CA 3.03Å; L268-L365 PolarHBondContact O-N 2.57Å
269I98.4Very high95.2Very high0 Ų042.3 Ų42.30%024%0.244CC..EExtended strand (participates in β ladder)trans-99119.9174-58-175.7000109.3L267 E289 V297 Q298 Y299 M300 L365L267-I269 HydrophobicContact CD2-CG1 4.25Å; L267-I269 HydrophobicContact CG-CG1 4.47Å; I269-E289 HydrophobicContact CD1-CB 3.7Å; I269-E289 HydrophobicContact CD1-CG 3.78Å; I269-V297 HydrophobicContact CB-CG1 4.28Å; I269-V297 HydrophobicContact CD1-CG1 3.51Å; I269-V297 HydrophobicContact CD1-CG2 4.23Å; I269-V297 HydrophobicContact CG1-CG1 3.68Å; I269-Q298 PolarHBondContact N-O 3.07Å; I269-Y299 HydrophobicContact CB-CD2 3.8Å; I269-Y299 HydrophobicContact CB-CE2 4.24Å; I269-Y299 HydrophobicContact CG2-CD2 3.71Å; I269-Y299 HydrophobicContact CG2-CE2 3.61Å; I269-Y299 WeakPolarHBondContact O-CA 3.46Å; I269-M300 PolarHBondContact O-N 2.95Å; I269-L365 CarbonylContact C-O 2.85Å; I269-L365 VanDerWaalsContact CA-O 3.27Å; I269-L365 WeakPolarHBondContact CA-O 3.38Å; I269-L365 HydrophobicContact CD1-CD2 4.19Å; I269-L365 HydrophobicContact CG1-CB 4.23Å; I269-L365 HydrophobicContact CG1-CD2 4.29Å
270F98.6Very high95.3Very high1 Ų141.9 Ų41.90%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-102.7121.1170.9-79.5-65.2000110.8L268 M300 L302 V353 K356 V364 L365 I366 H367L268-F270 HydrophobicContact CD2-CD2 4.16Å; L268-F270 HydrophobicContact CD2-CE1 4.4Å; L268-F270 HydrophobicContact CD2-CE2 3.36Å; L268-F270 HydrophobicContact CD2-CZ 3.52Å; L268-F270 HydrophobicContact CG-CD2 4.13Å; L268-F270 HydrophobicContact CG-CE2 3.83Å; L268-F270 HydrophobicContact CG-CZ 4.15Å; F270-M300 WeakPolarHBondContact CA-O 3.23Å; F270-M300 HydrophobicContact CD1-CB 3.85Å; F270-M300 HydrophobicContact CD1-CG 4.28Å; F270-M300 HydrophobicContact CE1-CB 3.83Å; F270-M300 HydrophobicContact CE1-CG 4Å; F270-M300 HydrophobicContact CE1-SD 3.73Å; F270-L302 HydrophobicContact CB-CD1 3.73Å; F270-L302 HydrophobicContact CB-CG 4.12Å; F270-L302 HydrophobicContact CD1-CD1 4.1Å; F270-L302 HydrophobicContact CD1-CD2 3.36Å; F270-L302 HydrophobicContact CD1-CG 3.69Å; F270-L302 HydrophobicContact CE1-CD2 3.58Å; F270-L302 HydrophobicContact CE1-CG 4.41Å; F270-L302 HydrophobicContact CG-CD1 4.06Å; F270-L302 HydrophobicContact CG-CD2 4.08Å; F270-L302 HydrophobicContact CG-CG 4.16Å; F270-L302 HydrophobicContact CZ-CD2 4.46Å; F270-V353 HydrophobicContact CD2-CG2 3.68Å; F270-V353 HydrophobicContact CE2-CG2 3.91Å; F270-V353 HydrophobicContact CG-CG2 4.4Å; F270-K356 HydrophobicContact CE2-CG 4.34Å; F270-K356 HydrophobicContact CZ-CG 4.31Å; F270-V364 HydrophobicContact CD2-CG1 3.68Å; F270-V364 HydrophobicContact CD2-CG2 4.4Å; F270-V364 HydrophobicContact CE2-CG1 4.34Å; F270-V364 HydrophobicContact CE2-CG2 4.28Å; F270-L365 PolarHBondContact N-O 3.41Å; F270-I366 HydrophobicContact CB-CB 4.33Å; F270-I366 HydrophobicContact CB-CD1 4.36Å; F270-I366 HydrophobicContact CB-CG1 4.19Å; F270-I366 WeakPolarHBondContact O-CA 3.39Å; F270-H367 PolarHBondContact O-N 3.01Å; F270-H367 VanDerWaalsContact O-N 3.07Å
271D98.6Very high95.4Very high0 Ų042.4 Ų42.40%025%0.251CS..EExtended strand (participates in β ladder)trans-94.1116.2165.3-173.1-21.2000109.3R273 Y299 M300 F301 L302 H367D271-R273 PolarHBondContact O-N 3.41Å; D271-R273 WeakPolarHBondContact OD1-CB 3.34Å; D271-R273 WeakPolarHBondContact OD1-CG 3.47Å; D271-R273 IonicContact OD1-CZ 3.62Å; D271-R273 PolarHBondContact OD1-N 2.98Å; D271-R273 IonicContact OD1-NE 3.13Å; D271-R273 PolarHBondContact OD1-NE 3.43Å; D271-R273 IonicContact OD1-NH2 3.2Å; D271-R273 IonicContact OD2-CZ 3.82Å; D271-R273 IonicContact OD2-NE 2.72Å; D271-R273 PolarHBondContact OD2-NE 2.89Å; D271-R273 IonicContact OD2-NH2 2.74Å; D271-R273 PolarHBondContact OD2-NH2 3.03Å; D271-Y299 HydrophobicContact CB-CE1 4.18Å; D271-Y299 WeakPolarHBondContact CB-OH 3.16Å; D271-Y299 PolarHBondContact OD2-OH 2.94Å; D271-Y299 VanDerWaalsContact OD2-OH 3.08Å; D271-M300 PolarHBondContact N-O 3.4Å; D271-F301 HydrophobicContact CB-CD1 3.74Å; D271-F301 HydrophobicContact CB-CE1 3.9Å; D271-F301 CarbonylContact O-C 3.5Å; D271-F301 WeakPolarHBondContact O-CA 3.5Å; D271-F301 WeakPolarHBondContact OD2-CE1 3.45Å; D271-L302 PolarHBondContact O-N 3.07Å; D271-H367 VanDerWaalsContact CG-CE1 3.46Å; D271-H367 IonicContact OD1-CE1 3.45Å; D271-H367 IonicContact OD2-CE1 2.7Å; D271-H367 PolarHBondContact OD2-CE1 3.05Å
272A98.7Very high95.5Very high0 Ų045.1 Ų45.10%026%0.264CS..  trans-65.1-14.2-177.300000113.3L302 I304 H367 C368 R374A272-L302 HydrophobicContact CB-CD1 4.42Å; A272-I304 HydrophobicContact CB-CD1 4.45Å; A272-I304 WeakPolarHBondContact O-CA 3.17Å; A272-I304 VanDerWaalsContact O-CB 3.29Å; A272-I304 WeakPolarHBondContact O-CB 3.29Å; A272-I304 PolarHBondContact O-N 3.39Å; A272-H367 WeakPolarHBondContact CB-O 3.39Å; A272-H367 PolarHBondContact N-O 3.22Å; A272-C368 HydrophobicContact CB-CB 3.83Å; A272-R374 HydrophobicContact CB-CB 3.67Å
273R98.6Very high95.9Very high0 Ų043 Ų430%025%0.252CS..SBendtrans-79.8162.7-175.4-58.5176.5-68.8-176.1-2.3112.2D271 N277 N281 G287 F301 N303 C368 S369D271-R273 PolarHBondContact O-N 3.41Å; D271-R273 WeakPolarHBondContact OD1-CB 3.34Å; D271-R273 WeakPolarHBondContact OD1-CG 3.47Å; D271-R273 IonicContact OD1-CZ 3.62Å; D271-R273 PolarHBondContact OD1-N 2.98Å; D271-R273 IonicContact OD1-NE 3.13Å; D271-R273 PolarHBondContact OD1-NE 3.43Å; D271-R273 IonicContact OD1-NH2 3.2Å; D271-R273 IonicContact OD2-CZ 3.82Å; D271-R273 IonicContact OD2-NE 2.72Å; D271-R273 PolarHBondContact OD2-NE 2.89Å; D271-R273 IonicContact OD2-NH2 2.74Å; D271-R273 PolarHBondContact OD2-NH2 3.03Å; R273-N277 HydrophobicContact CB-CB 4.46Å; R273-N281 PolarHBondContact NH1-ND2 3.35Å; R273-G287 PolarHBondContact NH2-O 2.84Å; R273-F301 WeakPolarHBondContact O-CD1 3.39Å; R273-N303 PolarHBondContact O-N 3.06Å; R273-C368 HydrophobicContact CG-CB 4.34Å; R273-S369 WeakPolarHBondContact CD-OG 3.34Å
274P98.2Very high96.3Very high5 Ų543.7 Ų43.73%0.03226%0.26CS..  trans-70.5146156-13.230.5000109.8V276 N277 A278 N303 I304 Q305P274-V276 HydrophobicContact CB-CG2 4.07Å; P274-V276 PolarHBondContact O-N 3.05Å; P274-N277 PolarHBondContact O-N 3.02Å; P274-A278 PolarHBondContact O-N 3.32Å; P274-A278 VanDerWaalsContact O-N 3.16Å; P274-N303 WeakPolarHBondContact CA-OD1 3.4Å; P274-I304 WeakPolarHBondContact CD-O 3.27Å; P274-Q305 VanDerWaalsContact CG-NE2 3.28Å
275Q97.2Very high96.8Very high114 Ų11443.9 Ų43.953%0.53326%0.264SS..Hα-helixtrans-52.9-41.2179.9-176177.4-0.500112.8N277 A278 I279 F301Q275-N277 VanDerWaalsContact C-N 3.28Å; Q275-N277 PolarHBondContact O-N 3.01Å; Q275-A278 WeakPolarHBondContact O-CB 3.48Å; Q275-A278 PolarHBondContact O-N 3.48Å; Q275-I279 HydrophobicContact CG-CD1 4.16Å; Q275-I279 WeakPolarHBondContact O-CG1 3.18Å; Q275-I279 PolarHBondContact O-N 3.23Å; Q275-F301 HydrophobicContact CB-CD1 4.49Å; Q275-F301 HydrophobicContact CB-CD2 3.94Å; Q275-F301 HydrophobicContact CB-CE1 4.44Å; Q275-F301 HydrophobicContact CB-CE2 3.87Å; Q275-F301 HydrophobicContact CB-CG 4.25Å; Q275-F301 HydrophobicContact CB-CZ 4.12Å; Q275-F301 HydrophobicContact CG-CD2 4.26Å; Q275-F301 HydrophobicContact CG-CE2 3.73Å; Q275-F301 HydrophobicContact CG-CZ 3.99Å
276V97.3Very high97.2Very high102 Ų10237.6 Ų37.662%0.61823%0.231SC*.Hα-helixtrans-59.2-36.8177.9-65.40000112.8P274 A280P274-V276 HydrophobicContact CB-CG2 4.07Å; P274-V276 PolarHBondContact O-N 3.05Å; V276-A280 PolarHBondContact O-N 3.32Å
277N97.3Very high97.3Very high32 Ų3234.8 Ų34.817%0.17122%0.216CC..Hα-helixtrans-75-33.6177-6716.4000110.8R273 P274 Q275 A280 N281R273-N277 HydrophobicContact CB-CB 4.46Å; P274-N277 PolarHBondContact O-N 3.02Å; Q275-N277 VanDerWaalsContact C-N 3.28Å; Q275-N277 PolarHBondContact O-N 3.01Å; N277-A280 PolarHBondContact O-N 3.02Å; N277-N281 PolarHBondContact O-N 2.94Å; N277-N281 PolarHBondContact O-ND2 3.49Å
278A96.9Very high97.3Very high2 Ų236.4 Ų36.42%0.01723%0.225CC..Hα-helixtrans-64.3-41.8174.900000111.4P274 Q275 N281 M282 V288 F301P274-A278 PolarHBondContact O-N 3.32Å; P274-A278 VanDerWaalsContact O-N 3.16Å; Q275-A278 WeakPolarHBondContact O-CB 3.48Å; Q275-A278 PolarHBondContact O-N 3.48Å; A278-N281 PolarHBondContact O-N 2.71Å; A278-M282 PolarHBondContact O-N 3.2Å; A278-V288 HydrophobicContact CB-CG1 3.85Å; A278-F301 HydrophobicContact CB-CE1 3.55Å; A278-F301 HydrophobicContact CB-CZ 4.01Å
279I96.7Very high97.2Very high104 Ų10436 Ų3653%0.53322%0.224SC..Hα-helixtrans-61.3-47.2172.9-65.8167.8000110.9Q275 N281 M282 G283Q275-I279 HydrophobicContact CG-CD1 4.16Å; Q275-I279 WeakPolarHBondContact O-CG1 3.18Å; Q275-I279 PolarHBondContact O-N 3.23Å; I279-N281 VanDerWaalsContact C-N 3.31Å; I279-N281 PolarHBondContact O-N 3.07Å; I279-M282 VanDerWaalsContact O-CB 3.32Å; I279-M282 WeakPolarHBondContact O-CB 3.5Å; I279-M282 PolarHBondContact O-N 2.79Å; I279-M282 VanDerWaalsContact O-N 3.09Å; I279-G283 PolarHBondContact O-N 2.96Å
280A96.9Very high96.9Very high66 Ų6638.6 Ų38.655%0.54524%0.242SC..Hα-helixtrans-59.7-40.317700000112.4V276 N277 M282 G283V276-A280 PolarHBondContact O-N 3.32Å; N277-A280 PolarHBondContact O-N 3.02Å; A280-M282 VanDerWaalsContact C-N 3.32Å; A280-M282 PolarHBondContact O-N 3.29Å; A280-G283 PolarHBondContact O-N 2.99Å
281N97.1Very high96.5Very high36 Ų3642.1 Ų42.119%0.19327%0.265CS..Hα-helixtrans-65.6-33.7175.4-74.8-60000112.5R273 N277 A278 I279 G283 V284 G285 G286 S369R273-N281 PolarHBondContact NH1-ND2 3.35Å; N277-N281 PolarHBondContact O-N 2.94Å; N277-N281 PolarHBondContact O-ND2 3.49Å; A278-N281 PolarHBondContact O-N 2.71Å; I279-N281 VanDerWaalsContact C-N 3.31Å; I279-N281 PolarHBondContact O-N 3.07Å; N281-G283 VanDerWaalsContact C-N 3.26Å; N281-G283 PolarHBondContact O-N 3.48Å; N281-V284 CarbonylContact O-C 3.54Å; N281-V284 VanDerWaalsContact O-CG2 3.31Å; N281-V284 WeakPolarHBondContact O-CG2 3.13Å; N281-V284 PolarHBondContact O-N 2.99Å; N281-V284 VanDerWaalsContact O-N 3.13Å; N281-G285 PolarHBondContact O-N 2.6Å; N281-G286 WeakPolarHBondContact O-CA 3.34Å; N281-G286 PolarHBondContact O-N 2.83Å; N281-S369 PolarHBondContact ND2-OG 3.22Å
282M96.6Very high96.1Very high60 Ų6046.6 Ų46.630%0.29630%0.302SS..Hα-helixtrans-60.8-37.1173.7-171.3-177.6-68.700112G241 V242 A278 I279 A280 V284 G285 G286 V288G241-M282 CarbonylContact C-O 3.57Å; G241-M282 WeakPolarHBondContact CA-O 3.46Å; V242-M282 PolarHBondContact N-O 3.38Å; A278-M282 PolarHBondContact O-N 3.2Å; I279-M282 VanDerWaalsContact O-CB 3.32Å; I279-M282 WeakPolarHBondContact O-CB 3.5Å; I279-M282 PolarHBondContact O-N 2.79Å; I279-M282 VanDerWaalsContact O-N 3.09Å; A280-M282 VanDerWaalsContact C-N 3.32Å; A280-M282 PolarHBondContact O-N 3.29Å; M282-V284 PolarHBondContact O-N 3.18Å; M282-G285 PolarHBondContact O-N 3.15Å; M282-G286 WeakPolarHBondContact CA-O 3.49Å; M282-V288 HydrophobicContact CE-CG2 4.24Å
283G96.1Very high96Very high52 Ų5248.6 Ų48.654%0.53631%0.309SS..Hα-helixtrans-59.8-26.4174.500000114.3I279 A280 N281I279-G283 PolarHBondContact O-N 2.96Å; A280-G283 PolarHBondContact O-N 2.99Å; N281-G283 VanDerWaalsContact C-N 3.26Å; N281-G283 PolarHBondContact O-N 3.48Å
284V96.1Very high95.9Very high124 Ų12448.9 Ų48.975%0.75231%0.31SS*.THydrogen-bonded Turntrans-109.721.7179-62.20000113.1N281 M282N281-V284 CarbonylContact O-C 3.54Å; N281-V284 VanDerWaalsContact O-CG2 3.31Å; N281-V284 WeakPolarHBondContact O-CG2 3.13Å; N281-V284 PolarHBondContact O-N 2.99Å; N281-V284 VanDerWaalsContact O-N 3.13Å; M282-V284 PolarHBondContact O-N 3.18Å
285G96.5Very high95.7Very high22 Ų2253.1 Ų53.123%0.22733%0.33CS..THydrogen-bonded Turntrans97.4-6.9171.500000116.1L239 G241 N281 M282L239-G285 CarbonylContact C-O 3.52Å; L239-G285 WeakPolarHBondContact CA-O 3.46Å; G241-G285 PolarHBondContact N-O 3.36Å; N281-G285 PolarHBondContact O-N 2.6Å; M282-G285 PolarHBondContact O-N 3.15Å
286G97.5Very high95.6Very high4 Ų451.8 Ų51.84%0.04133%0.327CS..  trans-76.6-159.917000000112.6P238 G241 N281 M282P238-G286 CarbonylContact O-C 3.55Å; P238-G286 VanDerWaalsContact O-C 3.27Å; G241-G286 WeakPolarHBondContact CA-O 3.45Å; G241-G286 PolarHBondContact N-O 3.08Å; N281-G286 WeakPolarHBondContact O-CA 3.34Å; N281-G286 PolarHBondContact O-N 2.83Å; M282-G286 WeakPolarHBondContact CA-O 3.49Å
287G96.3Very high95.5Very high0 Ų047.7 Ų47.70%030%0.302CS..  trans164.5-159.5179.800000114.8Q237 P238 R273Q237-G287 VanDerWaalsContact OE1-N 3.08Å; P238-G287 PolarHBondContact O-N 2.85Å; R273-G287 PolarHBondContact NH2-O 2.84Å
288V96.9Very high95.4Very high33 Ų3351.4 Ų51.420%0.232%0.318CS..  trans-138.5150.2-177.4-61.30000109.7A278 M282 S290 Y299 F301A278-V288 HydrophobicContact CB-CG1 3.85Å; M282-V288 HydrophobicContact CE-CG2 4.24Å; V288-S290 PolarHBondContact O-N 3.38Å; V288-Y299 HydrophobicContact CB-CE1 4.49Å; V288-Y299 HydrophobicContact CB-CE2 4.31Å; V288-Y299 VanDerWaalsContact CB-OH 3.23Å; V288-Y299 WeakPolarHBondContact CB-OH 3.13Å; V288-Y299 WeakPolarHBondContact CG1-OH 3.13Å; V288-F301 HydrophobicContact CG1-CE1 4.34Å; V288-F301 HydrophobicContact CG1-CZ 4.18Å
289E95.6Very high95.3Very high0 Ų053.7 Ų53.70%033%0.326CS..  trans-69115.9171.1-66.389.6154.600109.7R213 P238 I269 P291 Y294 Y299 H367R213-E289 IonicContact CZ-OE1 3.78Å; R213-E289 IonicContact NH1-OE1 3.27Å; R213-E289 PolarHBondContact NH1-OE1 2.94Å; R213-E289 IonicContact NH2-OE1 3.83Å; R213-E289 PolarHBondContact NH2-OE1 3.01Å; R213-E289 VanDerWaalsContact NH2-OE1 3.11Å; P238-E289 HydrophobicContact CG-CG 4.16Å; I269-E289 HydrophobicContact CD1-CB 3.7Å; I269-E289 HydrophobicContact CD1-CG 3.78Å; E289-P291 WeakPolarHBondContact O-CD 3.42Å; E289-Y294 HydrophobicContact CB-CD2 3.69Å; E289-Y294 HydrophobicContact CB-CE2 3.59Å; E289-Y294 HydrophobicContact CB-CG 4.45Å; E289-Y294 HydrophobicContact CG-CD2 4.24Å; E289-Y294 HydrophobicContact CG-CE1 4.48Å; E289-Y294 HydrophobicContact CG-CE2 3.78Å; E289-Y299 HydrophobicContact CB-CD2 4.36Å; E289-Y299 HydrophobicContact CB-CE2 4.18Å; E289-Y299 WeakPolarHBondContact O-CD2 3.38Å; E289-H367 IonicContact OE1-CD2 3.69Å; E289-H367 IonicContact OE1-NE2 2.79Å; E289-H367 IonicContact OE2-CD2 3.67Å; E289-H367 IonicContact OE2-CE1 2.92Å; E289-H367 IonicContact OE2-NE2 3.28Å; E289-H367 PolarHBondContact OE2-NE2 3.49Å
290S91.3Very high95.3Very high54 Ų5453.5 Ų53.538%0.37833%0.325SS..  trans-79.3123.5179.1176.80000111.3V288 A292 Y293 Y294V288-S290 PolarHBondContact O-N 3.38Å; S290-A292 PolarHBondContact O-N 3.31Å; S290-A292 PolarHBondContact OG-N 2.71Å; S290-Y293 PolarHBondContact O-N 3.24Å; S290-Y294 WeakPolarHBondContact O-CD2 3.48Å; S290-Y294 PolarHBondContact O-N 3.28Å
291P89.1Confident95.4Very high75 Ų7552.4 Ų52.449%0.48731%0.308SS..THydrogen-bonded Turntrans-58.6-18.8173.8-25.235.2000114.1E289 Y293E289-P291 WeakPolarHBondContact O-CD 3.42Å; P291-Y293 VanDerWaalsContact C-N 3.35Å
292A91.7Very high95.4Very high94 Ų9450.8 Ų50.878%0.77730%0.299SS*.THydrogen-bonded Turntrans-77.6-20174.400000113.3S290S290-A292 PolarHBondContact O-N 3.31Å; S290-A292 PolarHBondContact OG-N 2.71Å
293Y95.8Very high95.5Very high41 Ų4151.5 Ų51.516%0.16130%0.304CS..THydrogen-bonded Turntrans-102.5-39.1179.7-175.6-113.7000112.5R246 S247 S248 K251 S290 P291R246-Y293 HydrophobicContact CB-CE1 3.97Å; R246-Y293 HydrophobicContact CB-CE2 3.97Å; R246-Y293 HydrophobicContact CG-CD1 4.25Å; R246-Y293 HydrophobicContact CG-CD2 4Å; R246-Y293 HydrophobicContact CG-CE1 4.11Å; R246-Y293 HydrophobicContact CG-CE2 3.88Å; R246-Y293 HydrophobicContact CG-CG 4.2Å; S247-Y293 VanDerWaalsContact C-OH 3.28Å; S247-Y293 PolarHBondContact O-OH 3.29Å; S248-Y293 PolarHBondContact N-OH 3.48Å; K251-Y293 HydrophobicContact CB-CE1 3.81Å; K251-Y293 HydrophobicContact CD-CE1 4.14Å; K251-Y293 HydrophobicContact CD-CE2 4.15Å; K251-Y293 WeakPolarHBondContact CE-O 3.39Å; K251-Y293 HydrophobicContact CG-CE1 4.27Å; S290-Y293 PolarHBondContact O-N 3.24Å; P291-Y293 VanDerWaalsContact C-N 3.35Å
294Y96.2Very high95.6Very high6 Ų649 Ų492%0.02428%0.279CS..SBendtrans-93.2112.8176.7-60.2-92.5000110.1D250 K251 V254 E289 S290D250-Y294 WeakPolarHBondContact OD2-CE1 3.32Å; D250-Y294 PolarHBondContact OD2-OH 3.47Å; K251-Y294 HydrophobicContact CB-CE1 4.38Å; K251-Y294 HydrophobicContact CG-CD1 4.43Å; V254-Y294 HydrophobicContact CB-CD1 3.81Å; V254-Y294 HydrophobicContact CB-CE1 4.02Å; V254-Y294 HydrophobicContact CG1-CD1 3.73Å; V254-Y294 HydrophobicContact CG1-CE1 4.34Å; V254-Y294 HydrophobicContact CG2-CD1 4.03Å; V254-Y294 HydrophobicContact CG2-CE1 3.78Å; E289-Y294 HydrophobicContact CB-CD2 3.69Å; E289-Y294 HydrophobicContact CB-CE2 3.59Å; E289-Y294 HydrophobicContact CB-CG 4.45Å; E289-Y294 HydrophobicContact CG-CD2 4.24Å; E289-Y294 HydrophobicContact CG-CE1 4.48Å; E289-Y294 HydrophobicContact CG-CE2 3.78Å; S290-Y294 WeakPolarHBondContact O-CD2 3.48Å; S290-Y294 PolarHBondContact O-N 3.28Å
295E93.8Very high95.7Very high95 Ų9546.2 Ų46.244%0.44426%0.257SS..THydrogen-bonded Turntrans-65.4144.1-178.2-71.1156.5-14700111.8K251 R258 V297K251-E295 WeakPolarHBondContact CE-OE1 3.38Å; K251-E295 IonicContact NZ-OE1 3.39Å; K251-E295 PolarHBondContact NZ-OE1 3.49Å; R258-E295 PolarHBondContact NH1-O 3.34Å; E295-V297 PolarHBondContact O-N 3Å; E295-V297 VanDerWaalsContact O-N 3.12Å
296N95.6Very high95.8Very high86 Ų8647.5 Ų47.546%0.4626%0.259SS..THydrogen-bonded Turntrans51.138.1175.4-63.398.2000113N265 N266 L267N265-N296 WeakPolarHBondContact O-CB 3.49Å; N266-N296 CarbonylContact C-O 3.59Å; N266-N296 WeakPolarHBondContact CA-O 3.37Å; N266-N296 WeakPolarHBondContact CB-O 3.47Å; N266-N296 WeakPolarHBondContact OD1-CB 3.31Å; N266-N296 PolarHBondContact OD1-ND2 3.34Å; L267-N296 PolarHBondContact N-O 3.1Å
297V95.5Very high95.9Very high16 Ų1648.3 Ų48.310%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-108.9133.6175.1164.60000109.6V254 L267 I269 E295V254-V297 HydrophobicContact CG1-CG2 4.22Å; L267-V297 HydrophobicContact CB-CG2 4.29Å; L267-V297 WeakPolarHBondContact O-CA 3.33Å; I269-V297 HydrophobicContact CB-CG1 4.28Å; I269-V297 HydrophobicContact CD1-CG1 3.51Å; I269-V297 HydrophobicContact CD1-CG2 4.23Å; I269-V297 HydrophobicContact CG1-CG1 3.68Å; E295-V297 PolarHBondContact O-N 3Å; E295-V297 VanDerWaalsContact O-N 3.12Å
298Q94.6Very high95.9Very high110 Ų11052.1 Ų52.151%0.51428%0.28SS..EExtended strand (participates in β ladder)trans-101.7146.4163.3-67.4-176.6-500109L267 L268 I269L267-Q298 PolarHBondContact O-N 3.39Å; L268-Q298 HydrophobicContact CD1-CB 3.72Å; I269-Q298 PolarHBondContact N-O 3.07Å
299Y94.8Very high96Very high49 Ų4951.8 Ų51.819%0.19228%0.28CS..EExtended strand (participates in β ladder)trans-132.8133.1-173-167.4-84000111.3I269 D271 V288 E289 F301I269-Y299 HydrophobicContact CB-CD2 3.8Å; I269-Y299 HydrophobicContact CB-CE2 4.24Å; I269-Y299 HydrophobicContact CG2-CD2 3.71Å; I269-Y299 HydrophobicContact CG2-CE2 3.61Å; I269-Y299 WeakPolarHBondContact O-CA 3.46Å; D271-Y299 HydrophobicContact CB-CE1 4.18Å; D271-Y299 WeakPolarHBondContact CB-OH 3.16Å; D271-Y299 PolarHBondContact OD2-OH 2.94Å; D271-Y299 VanDerWaalsContact OD2-OH 3.08Å; V288-Y299 HydrophobicContact CB-CE1 4.49Å; V288-Y299 HydrophobicContact CB-CE2 4.31Å; V288-Y299 VanDerWaalsContact CB-OH 3.23Å; V288-Y299 WeakPolarHBondContact CB-OH 3.13Å; V288-Y299 WeakPolarHBondContact CG1-OH 3.13Å; E289-Y299 HydrophobicContact CB-CD2 4.36Å; E289-Y299 HydrophobicContact CB-CE2 4.18Å; E289-Y299 WeakPolarHBondContact O-CD2 3.38Å; Y299-F301 HydrophobicContact CD1-CE2 4.46Å; Y299-F301 HydrophobicContact CE1-CD1 4.47Å; Y299-F301 HydrophobicContact CE1-CD2 4.31Å; Y299-F301 HydrophobicContact CE1-CE1 4.02Å; Y299-F301 AromaticContact CE1-CE2 3.85Å; Y299-F301 HydrophobicContact CE1-CE2 3.85Å; Y299-F301 AromaticContact CE1-CZ 3.7Å; Y299-F301 HydrophobicContact CE1-CZ 3.7Å
300M97.1Very high96.1Very high100 Ų10052 Ų5249%0.49328%0.282SS..EExtended strand (participates in β ladder)trans-145.8140.1-179.5-172.7174.4-68.400113I269 F270 D271I269-M300 PolarHBondContact O-N 2.95Å; F270-M300 WeakPolarHBondContact CA-O 3.23Å; F270-M300 HydrophobicContact CD1-CB 3.85Å; F270-M300 HydrophobicContact CD1-CG 4.28Å; F270-M300 HydrophobicContact CE1-CB 3.83Å; F270-M300 HydrophobicContact CE1-CG 4Å; F270-M300 HydrophobicContact CE1-SD 3.73Å; D271-M300 PolarHBondContact N-O 3.4Å
301F98.2Very high96.4Very high44 Ų4451.8 Ų51.819%0.19327%0.272CS..EExtended strand (participates in β ladder)trans-89.3135.4172-69.4-76.4000111.8D271 R273 Q275 A278 V288 Y299D271-F301 HydrophobicContact CB-CD1 3.74Å; D271-F301 HydrophobicContact CB-CE1 3.9Å; D271-F301 CarbonylContact O-C 3.5Å; D271-F301 WeakPolarHBondContact O-CA 3.5Å; D271-F301 WeakPolarHBondContact OD2-CE1 3.45Å; R273-F301 WeakPolarHBondContact O-CD1 3.39Å; Q275-F301 HydrophobicContact CB-CD1 4.49Å; Q275-F301 HydrophobicContact CB-CD2 3.94Å; Q275-F301 HydrophobicContact CB-CE1 4.44Å; Q275-F301 HydrophobicContact CB-CE2 3.87Å; Q275-F301 HydrophobicContact CB-CG 4.25Å; Q275-F301 HydrophobicContact CB-CZ 4.12Å; Q275-F301 HydrophobicContact CG-CD2 4.26Å; Q275-F301 HydrophobicContact CG-CE2 3.73Å; Q275-F301 HydrophobicContact CG-CZ 3.99Å; A278-F301 HydrophobicContact CB-CE1 3.55Å; A278-F301 HydrophobicContact CB-CZ 4.01Å; V288-F301 HydrophobicContact CG1-CE1 4.34Å; V288-F301 HydrophobicContact CG1-CZ 4.18Å; Y299-F301 HydrophobicContact CD1-CE2 4.46Å; Y299-F301 HydrophobicContact CE1-CD1 4.47Å; Y299-F301 HydrophobicContact CE1-CD2 4.31Å; Y299-F301 HydrophobicContact CE1-CE1 4.02Å; Y299-F301 AromaticContact CE1-CE2 3.85Å; Y299-F301 HydrophobicContact CE1-CE2 3.85Å; Y299-F301 AromaticContact CE1-CZ 3.7Å; Y299-F301 HydrophobicContact CE1-CZ 3.7Å
302L98.5Very high96.9Very high1 Ų150.7 Ų50.71%0.00527%0.27CS..  trans-96.8-7.8178.7-59.4167.9000113.7F270 D271 A272 I304 A349 I366F270-L302 HydrophobicContact CB-CD1 3.73Å; F270-L302 HydrophobicContact CB-CG 4.12Å; F270-L302 HydrophobicContact CD1-CD1 4.1Å; F270-L302 HydrophobicContact CD1-CD2 3.36Å; F270-L302 HydrophobicContact CD1-CG 3.69Å; F270-L302 HydrophobicContact CE1-CD2 3.58Å; F270-L302 HydrophobicContact CE1-CG 4.41Å; F270-L302 HydrophobicContact CG-CD1 4.06Å; F270-L302 HydrophobicContact CG-CD2 4.08Å; F270-L302 HydrophobicContact CG-CG 4.16Å; F270-L302 HydrophobicContact CZ-CD2 4.46Å; D271-L302 PolarHBondContact O-N 3.07Å; A272-L302 HydrophobicContact CB-CD1 4.42Å; L302-I304 VanDerWaalsContact C-N 3.34Å; L302-I304 PolarHBondContact O-N 2.79Å; L302-A349 HydrophobicContact CB-CB 4Å; L302-A349 HydrophobicContact CD1-CB 3.93Å; L302-A349 HydrophobicContact CD2-CB 4.11Å; L302-A349 HydrophobicContact CG-CB 4.24Å; L302-I366 HydrophobicContact CD1-CD1 3.74Å
303N98.3Very high97.2Very high75 Ų7546.4 Ų46.440%0.40123%0.234SC..  trans61.829171.3-58.7-58.4000116.1R273 P274 Q305R273-N303 PolarHBondContact O-N 3.06Å; P274-N303 WeakPolarHBondContact CA-OD1 3.4Å; N303-Q305 PolarHBondContact O-N 2.72Å
304I98.8Very high97.3Very high1 Ų145.7 Ų45.71%0.00523%0.233CC..PPolyproline II helixtrans-79.8119173-50.4175.2000109.7A272 P274 L302 M310 I346 A349 R374 V378A272-I304 HydrophobicContact CB-CD1 4.45Å; A272-I304 WeakPolarHBondContact O-CA 3.17Å; A272-I304 VanDerWaalsContact O-CB 3.29Å; A272-I304 WeakPolarHBondContact O-CB 3.29Å; A272-I304 PolarHBondContact O-N 3.39Å; P274-I304 WeakPolarHBondContact CD-O 3.27Å; L302-I304 VanDerWaalsContact C-N 3.34Å; L302-I304 PolarHBondContact O-N 2.79Å; I304-M310 HydrophobicContact CG2-CE 3.7Å; I304-I346 HydrophobicContact CD1-CG1 4.31Å; I304-I346 HydrophobicContact CG2-CG1 4.03Å; I304-A349 HydrophobicContact CD1-CB 3.75Å; I304-A349 HydrophobicContact CG1-CB 4.28Å; I304-R374 HydrophobicContact CB-CG 4.03Å; I304-R374 HydrophobicContact CD1-CB 4.44Å; I304-R374 HydrophobicContact CG2-CB 4.48Å; I304-R374 HydrophobicContact CG2-CG 3.66Å; I304-R374 WeakPolarHBondContact O-CD 3.43Å; I304-R374 PolarHBondContact O-NH1 3.47Å; I304-V378 HydrophobicContact CD1-CG2 3.56Å
305Q98.5Very high97.2Very high64 Ų6447.7 Ų47.730%0.29925%0.246SC..PPolyproline II helixtrans-62166.8-175.8-63.1-61.9-38.300113.5P274 N303 A309 M310 R374P274-Q305 VanDerWaalsContact CG-NE2 3.28Å; N303-Q305 PolarHBondContact O-N 2.72Å; Q305-A309 HydrophobicContact CB-CB 3.63Å; Q305-A309 HydrophobicContact CG-CB 4.38Å; Q305-M310 HydrophobicContact CB-CE 3.79Å; Q305-M310 WeakPolarHBondContact O-CE 3.46Å; Q305-R374 WeakPolarHBondContact O-CD 3.38Å
306N98.2Very high97.4Very high49 Ų4948 Ų4826%0.26225%0.245SC..PPolyproline II helixtrans-75.1172.1-179.765.124.4000112.5H308 A309 M310N306-H308 PolarHBondContact O-N 2.83Å; N306-H308 WeakPolarHBondContact OD1-CB 3.13Å; N306-H308 PolarHBondContact OD1-N 3.02Å; N306-A309 PolarHBondContact O-N 3.49Å; N306-A309 PolarHBondContact OD1-N 3.09Å; N306-M310 WeakPolarHBondContact O-CG 3.47Å; N306-M310 PolarHBondContact O-N 3.36Å
307I98.2Very high97.4Very high22 Ų2243.9 Ų43.911%0.11322%0.224CC..Hα-helixtrans-58.5-28.8-179.859.7165.5000113.5M310 R311 S449 V451I307-M310 PolarHBondContact O-N 3.29Å; I307-R311 WeakPolarHBondContact O-CB 3.41Å; I307-R311 PolarHBondContact O-N 3.03Å; I307-S449 PolarHBondContact O-OG 3.27Å; I307-V451 HydrophobicContact CG2-CG2 4.15Å
308H98Very high97.3Very high80 Ų8045.1 Ų45.137%0.3723%0.228SC..Hα-helixtrans-70.8-42179.9-50.2-47000111.6N306 M310 R311 A312 E446N306-H308 PolarHBondContact O-N 2.83Å; N306-H308 WeakPolarHBondContact OD1-CB 3.13Å; N306-H308 PolarHBondContact OD1-N 3.02Å; H308-M310 VanDerWaalsContact C-N 3.34Å; H308-M310 PolarHBondContact O-N 3.13Å; H308-R311 PolarHBondContact ND1-NH2 3.01Å; H308-R311 PolarHBondContact O-N 3.21Å; H308-A312 WeakPolarHBondContact O-CB 3.45Å; H308-A312 PolarHBondContact O-N 3.44Å; H308-E446 PolarHBondContact CE1-O 3.42Å; H308-E446 PolarHBondContact ND1-O 3.48Å
309A98.4Very high97.2Very high26 Ų2645.7 Ų45.722%0.21523%0.231CC..Hα-helixtrans-61.8-42.7174.200000111.4Q305 N306 A312 A313Q305-A309 HydrophobicContact CB-CB 3.63Å; Q305-A309 HydrophobicContact CG-CB 4.38Å; N306-A309 PolarHBondContact O-N 3.49Å; N306-A309 PolarHBondContact OD1-N 3.09Å; A309-A312 PolarHBondContact O-N 2.9Å; A309-A313 WeakPolarHBondContact O-CB 3.15Å; A309-A313 PolarHBondContact O-N 3.16Å
310M98.4Very high97Very high5 Ų543.5 Ų43.53%0.02522%0.222CC..Hα-helixtrans-65.6-41179.1-55.3-42.1179.400112.2I304 Q305 N306 I307 H308 A313 L314 H342 P450 Q454I304-M310 HydrophobicContact CG2-CE 3.7Å; Q305-M310 HydrophobicContact CB-CE 3.79Å; Q305-M310 WeakPolarHBondContact O-CE 3.46Å; N306-M310 WeakPolarHBondContact O-CG 3.47Å; N306-M310 PolarHBondContact O-N 3.36Å; I307-M310 PolarHBondContact O-N 3.29Å; H308-M310 VanDerWaalsContact C-N 3.34Å; H308-M310 PolarHBondContact O-N 3.13Å; M310-A313 PolarHBondContact O-N 2.84Å; M310-L314 PolarHBondContact O-N 3.28Å; M310-L314 VanDerWaalsContact O-N 3.13Å; M310-H342 HydrophobicContact CE-CB 4.2Å; M310-H342 HydrophobicContact SD-CB 3.72Å; M310-P450 HydrophobicContact CB-CG 4.25Å; M310-Q454 PolarHBondContact SD-NE2 3.36Å
311R97.7Very high96.5Very high49 Ų4938.7 Ų38.719%0.18520%0.199CC..Hα-helixtrans-61.1-47.9172.8178.3177.358.7-115.910.5111.4I307 H308 A313 L314 T315 E446 R448I307-R311 WeakPolarHBondContact O-CB 3.41Å; I307-R311 PolarHBondContact O-N 3.03Å; H308-R311 PolarHBondContact ND1-NH2 3.01Å; H308-R311 PolarHBondContact O-N 3.21Å; R311-A313 VanDerWaalsContact C-N 3.3Å; R311-A313 PolarHBondContact O-N 3.41Å; R311-L314 PolarHBondContact O-N 2.97Å; R311-T315 PolarHBondContact O-N 3.43Å; R311-T315 PolarHBondContact O-OG1 3.14Å; R311-E446 PolarHBondContact NH1-O 3.42Å; R311-E446 PolarHBondContact NH2-O 3.32Å; R311-R448 WeakPolarHBondContact CD-O 3.49Å; R311-R448 PolarHBondContact NH1-O 3.43Å
312A98.2Very high95.9Very high52 Ų5237 Ų3743%0.4319%0.191SC..Hα-helixtrans-61.1-39.2179.600000112.1H308 A309 T315 K316H308-A312 WeakPolarHBondContact O-CB 3.45Å; H308-A312 PolarHBondContact O-N 3.44Å; A309-A312 PolarHBondContact O-N 2.9Å; A312-T315 PolarHBondContact O-N 2.86Å; A312-K316 PolarHBondContact O-N 3.12Å; A312-K316 VanDerWaalsContact O-N 3.15Å
313A98.5Very high94.9Very high3 Ų340.7 Ų40.73%0.02522%0.215CC..Hα-helixtrans-62-46175.500000112.1A309 M310 R311 K316 V317 S337 W339A309-A313 WeakPolarHBondContact O-CB 3.15Å; A309-A313 PolarHBondContact O-N 3.16Å; M310-A313 PolarHBondContact O-N 2.84Å; R311-A313 VanDerWaalsContact C-N 3.3Å; R311-A313 PolarHBondContact O-N 3.41Å; A313-K316 PolarHBondContact O-N 3.22Å; A313-V317 PolarHBondContact O-N 3.1Å; A313-S337 VanDerWaalsContact CA-O 3.29Å; A313-S337 WeakPolarHBondContact CA-O 3.39Å; A313-S337 WeakPolarHBondContact CB-O 3.45Å; A313-W339 HydrophobicContact CB-CE3 3.96Å
314L97.1Very high94.1Very high27 Ų2741.6 Ų41.614%0.14122%0.22CC..Hα-helixtrans-65.9-38177.3-176.766.5000112.4I104 M310 R311 K316 V317 F318 W339 P450 L453 Y555I104-L314 HydrophobicContact CD1-CD1 4.19Å; M310-L314 PolarHBondContact O-N 3.28Å; M310-L314 VanDerWaalsContact O-N 3.13Å; R311-L314 PolarHBondContact O-N 2.97Å; L314-K316 VanDerWaalsContact C-N 3.28Å; L314-K316 PolarHBondContact O-N 2.88Å; L314-V317 WeakPolarHBondContact O-CB 3.35Å; L314-V317 PolarHBondContact O-N 2.84Å; L314-V317 VanDerWaalsContact O-N 3.15Å; L314-F318 PolarHBondContact O-N 3.33Å; L314-W339 HydrophobicContact CB-CE3 4.27Å; L314-W339 HydrophobicContact CB-CH2 4.46Å; L314-W339 HydrophobicContact CB-CZ3 3.77Å; L314-W339 HydrophobicContact CD1-CH2 4.25Å; L314-W339 HydrophobicContact CD1-CZ3 4.23Å; L314-P450 HydrophobicContact CB-CG 3.97Å; L314-P450 HydrophobicContact CD2-CB 3.63Å; L314-P450 HydrophobicContact CD2-CG 3.92Å; L314-L453 HydrophobicContact CD1-CD2 4.18Å; L314-L453 HydrophobicContact CD2-CD2 4.33Å; L314-Y555 HydrophobicContact CD1-CE1 4.25Å
315T95.8Very high93.4Very high48 Ų4843.2 Ų43.229%0.29423%0.23SC..Hα-helixtrans-56.6-44.2173.6-60.80000111.1R311 A312 V317 F318 E319R311-T315 PolarHBondContact O-N 3.43Å; R311-T315 PolarHBondContact O-OG1 3.14Å; A312-T315 PolarHBondContact O-N 2.86Å; T315-V317 PolarHBondContact O-N 3.29Å; T315-F318 WeakPolarHBondContact O-CB 3.33Å; T315-F318 PolarHBondContact O-N 3.08Å; T315-E319 WeakPolarHBondContact O-CG 3.33Å; T315-E319 PolarHBondContact O-N 3.28Å
316K97.2Very high93Very high100 Ų10042.2 Ų42.244%0.43523%0.227SC..Hα-helixtrans-67.1-34.1176.6-72-179.4172.9-175.30113.4A312 A313 L314 F318 E319 A320 D336A312-K316 PolarHBondContact O-N 3.12Å; A312-K316 VanDerWaalsContact O-N 3.15Å; A313-K316 PolarHBondContact O-N 3.22Å; L314-K316 VanDerWaalsContact C-N 3.28Å; L314-K316 PolarHBondContact O-N 2.88Å; K316-F318 VanDerWaalsContact C-N 3.34Å; K316-E319 PolarHBondContact O-N 3.37Å; K316-A320 WeakPolarHBondContact O-CB 3.48Å; K316-A320 PolarHBondContact O-N 3.23Å; K316-D336 PolarHBondContact NZ-O 3.27Å
317V95.4Very high92.5Very high0 Ų047.1 Ų47.10%025%0.253CS..Hα-helixtrans-62.6-44.4171.7171.80000110.3A313 L314 T315 A320 C321 W339 F550 Y555A313-V317 PolarHBondContact O-N 3.1Å; L314-V317 WeakPolarHBondContact O-CB 3.35Å; L314-V317 PolarHBondContact O-N 2.84Å; L314-V317 VanDerWaalsContact O-N 3.15Å; T315-V317 PolarHBondContact O-N 3.29Å; V317-A320 PolarHBondContact O-N 3.19Å; V317-C321 PolarHBondContact O-N 2.72Å; V317-C321 VanDerWaalsContact O-N 3.13Å; V317-C321 PolarHBondContact O-SG 2.97Å; V317-W339 HydrophobicContact CG2-CB 3.58Å; V317-W339 HydrophobicContact CG2-CD2 4.32Å; V317-W339 HydrophobicContact CG2-CG 3.87Å; V317-F550 HydrophobicContact CG1-CE2 3.84Å; V317-F550 HydrophobicContact CG1-CZ 3.97Å; V317-Y555 HydrophobicContact CG1-CD1 4.12Å; V317-Y555 HydrophobicContact CG1-CG 4.4Å
318F92.7Very high92.3Very high43 Ų4352 Ų5219%0.18928%0.284CS..Hα-helixtrans-58.4-48.9175.5173.6-89.3000111.4I104 E106 L314 T315 K316 A320 C321 F322I104-F318 HydrophobicContact CB-CD2 4.27Å; I104-F318 HydrophobicContact CG2-CB 4.24Å; I104-F318 HydrophobicContact CG2-CD2 3.53Å; I104-F318 HydrophobicContact CG2-CE2 4.36Å; I104-F318 HydrophobicContact CG2-CG 4.35Å; E106-F318 HydrophobicContact CB-CZ 4.07Å; L314-F318 PolarHBondContact O-N 3.33Å; T315-F318 WeakPolarHBondContact O-CB 3.33Å; T315-F318 PolarHBondContact O-N 3.08Å; K316-F318 VanDerWaalsContact C-N 3.34Å; F318-A320 VanDerWaalsContact C-N 3.28Å; F318-A320 PolarHBondContact O-N 3.36Å; F318-C321 PolarHBondContact O-N 3.36Å; F318-F322 HydrophobicContact CD2-CD2 4.08Å; F318-F322 HydrophobicContact CE2-CB 4.28Å; F318-F322 HydrophobicContact CE2-CD2 4.09Å; F318-F322 HydrophobicContact CE2-CG 4.35Å; F318-F322 HydrophobicContact CZ-CB 4.2Å; F318-F322 PolarHBondContact O-N 3.04Å
319E92.5Very high92.2Very high122 Ų12254.5 Ų54.557%0.5729%0.29SS*.Hα-helixtrans-61.6-32.4177.4-70.2167.4179.600113.4T315 K316 C321T315-E319 WeakPolarHBondContact O-CG 3.33Å; T315-E319 PolarHBondContact O-N 3.28Å; K316-E319 PolarHBondContact O-N 3.37Å; E319-C321 VanDerWaalsContact C-N 3.33Å
320A91.7Very high91.9Very high2 Ų254.7 Ų54.72%0.01729%0.285CS..Hα-helixtrans-71.4-29.6174.600000112.4K316 V317 F318 P325 W330 Q333 L334K316-A320 WeakPolarHBondContact O-CB 3.48Å; K316-A320 PolarHBondContact O-N 3.23Å; V317-A320 PolarHBondContact O-N 3.19Å; F318-A320 VanDerWaalsContact C-N 3.28Å; F318-A320 PolarHBondContact O-N 3.36Å; A320-P325 WeakPolarHBondContact O-CA 3.4Å; A320-W330 HydrophobicContact CB-CZ3 4.47Å; A320-W330 WeakPolarHBondContact O-CZ3 3.19Å; A320-Q333 HydrophobicContact CB-CB 3.86Å; A320-L334 HydrophobicContact CB-CD2 4.24Å
321C87Confident91.7Very high0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-92.3-31.2-174.7-63.30000113.7V317 F318 E319 P325 I556 H559V317-C321 PolarHBondContact O-N 2.72Å; V317-C321 VanDerWaalsContact O-N 3.13Å; V317-C321 PolarHBondContact O-SG 2.97Å; F318-C321 PolarHBondContact O-N 3.36Å; E319-C321 VanDerWaalsContact C-N 3.33Å; C321-P325 WeakPolarHBondContact O-CD 3.32Å; C321-I556 HydrophobicContact CB-CG2 4.25Å; C321-H559 PolarHBondContact O-CD2 3.21Å
322F84.4Confident91.7Very high8 Ų866.5 Ų66.54%0.03534%0.338CS..SBendtrans-132.7146.7-168.4-65.9-80.3000112.6Y32 I104 F318 W558 H559Y32-F322 HydrophobicContact CD1-CD1 4.01Å; Y32-F322 AromaticContact CE1-CD1 3.39Å; Y32-F322 HydrophobicContact CE1-CD1 3.39Å; Y32-F322 AromaticContact CE1-CE1 3.93Å; Y32-F322 HydrophobicContact CE1-CE1 3.93Å; Y32-F322 HydrophobicContact CE1-CG 4.39Å; Y32-F322 HydrophobicContact CE2-CD1 4.17Å; Y32-F322 AromaticContact CE2-CE1 3.85Å; Y32-F322 HydrophobicContact CE2-CE1 3.85Å; Y32-F322 AromaticContact CZ-CD1 3.45Å; Y32-F322 VanDerWaalsContact CZ-CD1 3.45Å; Y32-F322 AromaticContact CZ-CE1 3.47Å; Y32-F322 VanDerWaalsContact CZ-CE1 3.47Å; Y32-F322 WeakPolarHBondContact OH-CE1 3.2Å; I104-F322 HydrophobicContact CB-CE2 4.37Å; I104-F322 HydrophobicContact CG2-CD2 3.81Å; I104-F322 HydrophobicContact CG2-CE2 3.47Å; I104-F322 VanDerWaalsContact CG2-CE2 3.47Å; I104-F322 WeakPolarHBondContact O-CD2 3.45Å; I104-F322 WeakPolarHBondContact O-CE2 3.34Å; I104-F322 VanDerWaalsContact O-CZ 3.27Å; I104-F322 WeakPolarHBondContact O-CZ 3.42Å; F318-F322 HydrophobicContact CD2-CD2 4.08Å; F318-F322 HydrophobicContact CE2-CB 4.28Å; F318-F322 HydrophobicContact CE2-CD2 4.09Å; F318-F322 HydrophobicContact CE2-CG 4.35Å; F318-F322 HydrophobicContact CZ-CB 4.2Å; F318-F322 PolarHBondContact O-N 3.04Å; F322-W558 HydrophobicContact CZ-CB 4.37Å; F322-H559 HydrophobicContact CE1-CB 4.08Å; F322-H559 AromaticContact CE1-CD2 3.91Å; F322-H559 HydrophobicContact CZ-CB 4.22Å
323P78.6Confident91.6Very high79 Ų7966.4 Ų66.451%0.51333%0.329SS..SBendcis-76.9-26.3130.7-35.6000113.8Y32 H559Y32-P323 HydrophobicContact CD1-CB 4.14Å; P323-H559 PolarHBondContact O-NE2 2.88Å
324L80.8Confident91.5Very high94 Ų9467.1 Ų67.149%0.49233%0.332SS..  trans-137.4132.7172.3-70.9174.5000108.9L561L324-L561 HydrophobicContact CD2-CD1 3.76Å
325P84.5Confident91.5Very high34 Ų3468.7 Ų68.722%0.22135%0.349CS..  trans-63.7144.3170.6-11.319.6000111.8A320 C321 W330 H559 M562A320-P325 WeakPolarHBondContact O-CA 3.4Å; C321-P325 WeakPolarHBondContact O-CD 3.32Å; P325-W330 HydrophobicContact CB-CE3 3.71Å; P325-W330 HydrophobicContact CB-CZ3 3.85Å; P325-W330 HydrophobicContact CG-CZ3 4.26Å; P325-H559 VanDerWaalsContact CD-NE2 3.33Å; P325-H559 WeakPolarHBondContact CD-NE2 3.03Å; P325-M562 HydrophobicContact CB-CE 4.42Å; P325-M562 HydrophobicContact CB-SD 4.32Å; P325-M562 HydrophobicContact CG-CE 3.85Å; P325-M562 HydrophobicContact CG-CG 4.04Å; P325-M562 HydrophobicContact CG-SD 3.19Å; P325-M562 WeakPolarHBondContact CG-SD 3.36Å
326D89.3Confident91.6Very high44 Ų4469.9 Ų69.924%0.23535%0.353CS..  trans-89.8105169-176.4-21.7000109.9T328 R329 W330D326-T328 PolarHBondContact O-N 3.24Å; D326-T328 VanDerWaalsContact O-N 3.16Å; D326-T328 WeakPolarHBondContact OD1-CB 3.31Å; D326-T328 PolarHBondContact OD1-N 3.09Å; D326-T328 PolarHBondContact OD1-OG1 3.36Å; D326-R329 HydrophobicContact CB-CB 4.36Å; D326-R329 CarbonylContact O-C 3.56Å; D326-R329 PolarHBondContact O-N 3.42Å; D326-R329 PolarHBondContact OD1-N 3.11Å; D326-R329 IonicContact OD2-CZ 2.94Å; D326-R329 IonicContact OD2-NE 3.8Å; D326-R329 PolarHBondContact OD2-NE 3.05Å; D326-R329 IonicContact OD2-NH2 2.95Å; D326-R329 PolarHBondContact OD2-NH2 3.47Å; D326-W330 WeakPolarHBondContact O-CA 3.41Å; D326-W330 WeakPolarHBondContact O-CB 3.18Å; D326-W330 PolarHBondContact O-N 3.42Å
327D88.2Confident91.7Very high151 Ų15165.3 Ų65.381%0.80733%0.334SS*.THydrogen-bonded Turntrans-56-33.5-177.7-164.757.2000112.9R329D327-R329 VanDerWaalsContact C-N 3.35Å; D327-R329 PolarHBondContact O-N 3.22Å
328T94.4Very high91.8Very high125 Ų12570.6 Ų70.677%0.76736%0.357SS*.THydrogen-bonded Turntrans-75.3-24.6-179.169.70000113.2D326D326-T328 PolarHBondContact O-N 3.24Å; D326-T328 VanDerWaalsContact O-N 3.16Å; D326-T328 WeakPolarHBondContact OD1-CB 3.31Å; D326-T328 PolarHBondContact OD1-N 3.09Å; D326-T328 PolarHBondContact OD1-OG1 3.36Å
329R94.6Very high92.1Very high132 Ų13268.6 Ų68.650%0.49835%0.348SS..THydrogen-bonded Turntrans-118.11.1-175.7-67-174.6-66163.72.8113.6D326 D327 F331 K332 Q333D326-R329 HydrophobicContact CB-CB 4.36Å; D326-R329 CarbonylContact O-C 3.56Å; D326-R329 PolarHBondContact O-N 3.42Å; D326-R329 PolarHBondContact OD1-N 3.11Å; D326-R329 IonicContact OD2-CZ 2.94Å; D326-R329 IonicContact OD2-NE 3.8Å; D326-R329 PolarHBondContact OD2-NE 3.05Å; D326-R329 IonicContact OD2-NH2 2.95Å; D326-R329 PolarHBondContact OD2-NH2 3.47Å; D327-R329 VanDerWaalsContact C-N 3.35Å; D327-R329 PolarHBondContact O-N 3.22Å; R329-F331 PolarHBondContact O-N 3.47Å; R329-K332 WeakPolarHBondContact O-CA 3.49Å; R329-K332 WeakPolarHBondContact O-CB 3.43Å; R329-K332 PolarHBondContact O-N 3.35Å; R329-Q333 HydrophobicContact CB-CG 4.23Å; R329-Q333 WeakPolarHBondContact O-CG 3.45Å; R329-Q333 PolarHBondContact O-N 3.44Å
330W93.2Very high92.4Very high30 Ų3064.7 Ų64.711%0.11433%0.331CS..Hα-helixtrans-48.5-59.2-172.7171.5-108.6000113.3A320 P325 D326 K332 Q333 L334 F550 I556 M562A320-W330 HydrophobicContact CB-CZ3 4.47Å; A320-W330 WeakPolarHBondContact O-CZ3 3.19Å; P325-W330 HydrophobicContact CB-CE3 3.71Å; P325-W330 HydrophobicContact CB-CZ3 3.85Å; P325-W330 HydrophobicContact CG-CZ3 4.26Å; D326-W330 WeakPolarHBondContact O-CA 3.41Å; D326-W330 WeakPolarHBondContact O-CB 3.18Å; D326-W330 PolarHBondContact O-N 3.42Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 2.84Å; W330-Q333 PolarHBondContact O-N 3.26Å; W330-L334 HydrophobicContact CD2-CD1 4.19Å; W330-L334 HydrophobicContact CD2-CG 4.36Å; W330-L334 VanDerWaalsContact CE2-CD1 3.49Å; W330-L334 HydrophobicContact CH2-CD1 4.3Å; W330-L334 HydrophobicContact CH2-CD2 4.28Å; W330-L334 HydrophobicContact CZ2-CD1 3.58Å; W330-L334 HydrophobicContact CZ2-CD2 4.36Å; W330-L334 HydrophobicContact CZ2-CG 4.21Å; W330-L334 WeakPolarHBondContact O-CG 3.24Å; W330-L334 PolarHBondContact O-N 2.64Å; W330-F550 AromaticContact CH2-CE1 3.98Å; W330-F550 HydrophobicContact CH2-CE1 3.98Å; W330-F550 HydrophobicContact CH2-CZ 4.46Å; W330-F550 HydrophobicContact CZ2-CD1 4.11Å; W330-F550 AromaticContact CZ2-CE1 3.88Å; W330-F550 HydrophobicContact CZ2-CE1 3.88Å; W330-I556 HydrophobicContact CH2-CG2 4.05Å; W330-M562 HydrophobicContact CE3-CE 4.5Å; W330-M562 HydrophobicContact CH2-CE 3.71Å; W330-M562 HydrophobicContact CH2-SD 4.49Å; W330-M562 HydrophobicContact CZ2-CE 3.86Å; W330-M562 HydrophobicContact CZ3-CE 4.03Å
331F94.3Very high92.7Very high169 Ų16969.4 Ų69.474%0.74135%0.349SS*.Hα-helixtrans-65.2-33.5-178.7-69-63.6000112.9R329 A335R329-F331 PolarHBondContact O-N 3.47Å; F331-A335 WeakPolarHBondContact O-CB 3.45Å; F331-A335 PolarHBondContact O-N 3.2Å
332K96.7Very high93.2Very high134 Ų13470.1 Ų70.158%0.58335%0.353SS*.Hα-helixtrans-65.2-47.9175.3-178.3-174.9172.4680110.7R329 W330 L334 A335 D336R329-K332 WeakPolarHBondContact O-CA 3.49Å; R329-K332 WeakPolarHBondContact O-CB 3.43Å; R329-K332 PolarHBondContact O-N 3.35Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 2.84Å; K332-L334 PolarHBondContact O-N 2.83Å; K332-A335 PolarHBondContact O-N 3.31Å; K332-D336 WeakPolarHBondContact CG-OD2 3.16Å; K332-D336 IonicContact NZ-OD2 3.58Å; K332-D336 WeakPolarHBondContact O-CB 3.48Å; K332-D336 VanDerWaalsContact O-CG 3.24Å; K332-D336 PolarHBondContact O-N 3.45Å
333Q97.2Very high93.9Very high49 Ų4969.8 Ų69.823%0.22935%0.351CS..Hα-helixtrans-62.4-43.1178.9-72.1176-22.500111.7A320 R329 W330 A335 D336 S337A320-Q333 HydrophobicContact CB-CB 3.86Å; R329-Q333 HydrophobicContact CB-CG 4.23Å; R329-Q333 WeakPolarHBondContact O-CG 3.45Å; R329-Q333 PolarHBondContact O-N 3.44Å; W330-Q333 PolarHBondContact O-N 3.26Å; Q333-A335 PolarHBondContact O-N 3.36Å; Q333-D336 PolarHBondContact O-N 2.75Å; Q333-S337 PolarHBondContact O-N 2.95Å
334L96Very high94.9Very high19 Ų1968.1 Ų68.110%0.09934%0.336CS..Hα-helixtrans-61.1-43.3173.3-71-174.5000112A320 W330 K332 S337 F550A320-L334 HydrophobicContact CB-CD2 4.24Å; W330-L334 HydrophobicContact CD2-CD1 4.19Å; W330-L334 HydrophobicContact CD2-CG 4.36Å; W330-L334 VanDerWaalsContact CE2-CD1 3.49Å; W330-L334 HydrophobicContact CH2-CD1 4.3Å; W330-L334 HydrophobicContact CH2-CD2 4.28Å; W330-L334 HydrophobicContact CZ2-CD1 3.58Å; W330-L334 HydrophobicContact CZ2-CD2 4.36Å; W330-L334 HydrophobicContact CZ2-CG 4.21Å; W330-L334 WeakPolarHBondContact O-CG 3.24Å; W330-L334 PolarHBondContact O-N 2.64Å; K332-L334 PolarHBondContact O-N 2.83Å; L334-S337 WeakPolarHBondContact O-CB 3.42Å; L334-S337 PolarHBondContact O-N 3.01Å; L334-S337 PolarHBondContact O-OG 3.48Å; L334-F550 HydrophobicContact CD1-CB 4.37Å; L334-F550 HydrophobicContact CD1-CD1 4.21Å; L334-F550 HydrophobicContact CD1-CD2 4.22Å; L334-F550 HydrophobicContact CD1-CG 4.02Å; L334-F550 HydrophobicContact CD2-CD2 4.1Å; L334-F550 HydrophobicContact CD2-CE1 4.48Å; L334-F550 HydrophobicContact CD2-CE2 3.75Å; L334-F550 HydrophobicContact CD2-CZ 3.94Å
335A97Very high95.7Very high59 Ų5964.7 Ų64.749%0.48832%0.317SS..Hα-helixtrans-65.2-39.3176.400000112.5F331 K332 Q333 S337 K338F331-A335 WeakPolarHBondContact O-CB 3.45Å; F331-A335 PolarHBondContact O-N 3.2Å; K332-A335 PolarHBondContact O-N 3.31Å; Q333-A335 PolarHBondContact O-N 3.36Å; A335-S337 VanDerWaalsContact C-N 3.27Å; A335-S337 PolarHBondContact O-N 2.96Å; A335-K338 PolarHBondContact O-N 3.24Å
336D97.9Very high96.4Very high73 Ų7363 Ų6339%0.3931%0.307SS..Hα-helixtrans-72.4-19.2179.2-71.7-18.9000112.8K316 K332 Q333 K338K316-D336 PolarHBondContact NZ-O 3.27Å; K332-D336 WeakPolarHBondContact CG-OD2 3.16Å; K332-D336 IonicContact NZ-OD2 3.58Å; K332-D336 WeakPolarHBondContact O-CB 3.48Å; K332-D336 VanDerWaalsContact O-CG 3.24Å; K332-D336 PolarHBondContact O-N 3.45Å; Q333-D336 PolarHBondContact O-N 2.75Å; D336-K338 PolarHBondContact O-N 3.02Å
337S98.1Very high96.9Very high4 Ų461 Ų613%0.02830%0.296CS..THydrogen-bonded Turntrans-65.5-26.5169.582.10000113A313 Q333 L334 A335 W339A313-S337 VanDerWaalsContact CA-O 3.29Å; A313-S337 WeakPolarHBondContact CA-O 3.39Å; A313-S337 WeakPolarHBondContact CB-O 3.45Å; Q333-S337 PolarHBondContact O-N 2.95Å; L334-S337 WeakPolarHBondContact O-CB 3.42Å; L334-S337 PolarHBondContact O-N 3.01Å; L334-S337 PolarHBondContact O-OG 3.48Å; A335-S337 VanDerWaalsContact C-N 3.27Å; A335-S337 PolarHBondContact O-N 2.96Å; S337-W339 PolarHBondContact O-N 2.78Å; S337-W339 VanDerWaalsContact O-N 3.15Å; S337-W339 WeakPolarHBondContact OG-CB 3.5Å; S337-W339 PolarHBondContact OG-N 3.03Å; S337-W339 VanDerWaalsContact OG-N 3.08Å
338K98.4Very high97.4Very high111 Ų11156.9 Ų56.948%0.48327%0.271SS..THydrogen-bonded Turntrans58.213.2-170.5-54.9-62.3179.1-166.40114.6A335 D336 L340 Y341 H342A335-K338 PolarHBondContact O-N 3.24Å; D336-K338 PolarHBondContact O-N 3.02Å; K338-L340 PolarHBondContact O-N 3.25Å; K338-Y341 WeakPolarHBondContact O-CB 3.4Å; K338-Y341 PolarHBondContact O-N 2.83Å; K338-Y341 VanDerWaalsContact O-N 3.14Å; K338-H342 PolarHBondContact O-CD2 3.31Å; K338-H342 PolarHBondContact O-N 3.16Å
339W98.6Very high97.6Very high1 Ų151 Ų510%0.00423%0.234CC..Hα-helixtrans-55.6-57.2179.9-176.1-102.3000112.5A313 L314 V317 S337 Y341 H342 I343 P450 L453 Q454 D457 Y555A313-W339 HydrophobicContact CB-CE3 3.96Å; L314-W339 HydrophobicContact CB-CE3 4.27Å; L314-W339 HydrophobicContact CB-CH2 4.46Å; L314-W339 HydrophobicContact CB-CZ3 3.77Å; L314-W339 HydrophobicContact CD1-CH2 4.25Å; L314-W339 HydrophobicContact CD1-CZ3 4.23Å; V317-W339 HydrophobicContact CG2-CB 3.58Å; V317-W339 HydrophobicContact CG2-CD2 4.32Å; V317-W339 HydrophobicContact CG2-CG 3.87Å; S337-W339 PolarHBondContact O-N 2.78Å; S337-W339 VanDerWaalsContact O-N 3.15Å; S337-W339 WeakPolarHBondContact OG-CB 3.5Å; S337-W339 PolarHBondContact OG-N 3.03Å; S337-W339 VanDerWaalsContact OG-N 3.08Å; W339-Y341 PolarHBondContact O-N 3.12Å; W339-H342 WeakPolarHBondContact O-CB 3.46Å; W339-H342 PolarHBondContact O-N 2.79Å; W339-I343 HydrophobicContact CZ2-CD1 4.23Å; W339-I343 PolarHBondContact O-N 2.79Å; W339-P450 HydrophobicContact CH2-CB 3.96Å; W339-P450 HydrophobicContact CH2-CG 3.75Å; W339-P450 HydrophobicContact CZ3-CB 4.4Å; W339-P450 HydrophobicContact CZ3-CG 3.72Å; W339-L453 HydrophobicContact CH2-CD2 4.36Å; W339-L453 HydrophobicContact CH2-CG 4.43Å; W339-L453 HydrophobicContact CZ2-CD2 4.43Å; W339-L453 HydrophobicContact CZ2-CG 4.28Å; W339-Q454 HydrophobicContact CH2-CG 3.33Å; W339-Q454 HydrophobicContact CZ2-CG 3.71Å; W339-Q454 HydrophobicContact CZ3-CG 3.97Å; W339-D457 PolarHBondContact NE1-OD2 3.34Å; W339-Y555 AromaticContact CE2-CZ 3.9Å; W339-Y555 VanDerWaalsContact CE2-OH 3.25Å; W339-Y555 HydrophobicContact CZ2-CE1 4.39Å; W339-Y555 WeakPolarHBondContact CZ2-OH 3.4Å; W339-Y555 AromaticContact NE1-CE2 3.91Å; W339-Y555 AromaticContact NE1-CZ 3.54Å; W339-Y555 PolarHBondContact NE1-OH 2.83Å
340L98.4Very high97.8Very high41 Ų4144.7 Ų44.722%0.21521%0.211CC..Hα-helixtrans-64.9-25.2178.9-66.1-180000113.1K338 K344 L545K338-L340 PolarHBondContact O-N 3.25Å; L340-K344 WeakPolarHBondContact O-CB 3.05Å; L340-K344 PolarHBondContact O-N 3.06Å; L340-L545 HydrophobicContact CB-CD2 4.07Å; L340-L545 WeakPolarHBondContact O-CD2 3.35Å
341Y98.5Very high98.1Very high100 Ų10044.2 Ų44.239%0.39221%0.211SC..Hα-helixtrans-66.8-41.8171.3178-94.4000111.3K338 W339 K344 Q345K338-Y341 WeakPolarHBondContact O-CB 3.4Å; K338-Y341 PolarHBondContact O-N 2.83Å; K338-Y341 VanDerWaalsContact O-N 3.14Å; W339-Y341 PolarHBondContact O-N 3.12Å; Y341-K344 WeakPolarHBondContact O-CB 3.09Å; Y341-K344 PolarHBondContact O-N 3.26Å; Y341-Q345 HydrophobicContact CD1-CG 4.35Å; Y341-Q345 HydrophobicContact CE1-CG 3.94Å; Y341-Q345 VanDerWaalsContact CZ-NE2 3.31Å; Y341-Q345 WeakPolarHBondContact O-CG 3.17Å; Y341-Q345 PolarHBondContact O-N 2.98Å; Y341-Q345 PolarHBondContact OH-NE2 3.38Å
342H98.8Very high98.3Very high16 Ų1637.2 Ų37.27%0.07418%0.183CC..Hα-helixtrans-66.1-41.8174.2-65.5-48.5000112.3M310 K338 W339 K344 Q345 I346M310-H342 HydrophobicContact CE-CB 4.2Å; M310-H342 HydrophobicContact SD-CB 3.72Å; K338-H342 PolarHBondContact O-CD2 3.31Å; K338-H342 PolarHBondContact O-N 3.16Å; W339-H342 WeakPolarHBondContact O-CB 3.46Å; W339-H342 PolarHBondContact O-N 2.79Å; H342-K344 PolarHBondContact O-N 3.13Å; H342-Q345 PolarHBondContact O-N 3.22Å; H342-Q345 VanDerWaalsContact O-N 3.14Å; H342-I346 WeakPolarHBondContact O-CG1 3.44Å; H342-I346 PolarHBondContact O-N 2.99Å
343I98.8Very high98.4Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-57.7-48.7172.9-61.3-54.3000110.6W339 Q345 I346 I347 Q454 D457 Q461 L548W339-I343 HydrophobicContact CZ2-CD1 4.23Å; W339-I343 PolarHBondContact O-N 2.79Å; I343-Q345 VanDerWaalsContact C-N 3.3Å; I343-Q345 PolarHBondContact O-N 3.18Å; I343-I346 PolarHBondContact O-N 3.1Å; I343-I347 HydrophobicContact CG2-CD1 3.82Å; I343-I347 HydrophobicContact CG2-CG1 4.44Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 2.74Å; I343-Q454 HydrophobicContact CD1-CB 3.95Å; I343-Q454 HydrophobicContact CD1-CG 3.98Å; I343-D457 HydrophobicContact CD1-CB 3.88Å; I343-Q461 HydrophobicContact CG2-CG 3.81Å; I343-L548 HydrophobicContact CB-CD1 4.45Å; I343-L548 HydrophobicContact CG2-CD1 4.13Å
344K98.7Very high98.4Very high44 Ų4428.5 Ų28.519%0.19114%0.144CC..Hα-helixtrans-50.5-48.9172.5157.6174.1-175.4-54.90111.9L340 Y341 H342 I346 I347 F348 H543 L545 L548L340-K344 WeakPolarHBondContact O-CB 3.05Å; L340-K344 PolarHBondContact O-N 3.06Å; Y341-K344 WeakPolarHBondContact O-CB 3.09Å; Y341-K344 PolarHBondContact O-N 3.26Å; H342-K344 PolarHBondContact O-N 3.13Å; K344-I346 VanDerWaalsContact C-N 3.32Å; K344-I346 PolarHBondContact O-N 3.31Å; K344-I347 PolarHBondContact O-N 3.5Å; K344-F348 VanDerWaalsContact O-CB 3.27Å; K344-F348 WeakPolarHBondContact O-CB 3.47Å; K344-F348 PolarHBondContact O-N 3.46Å; K344-H543 WeakPolarHBondContact CB-O 3.25Å; K344-H543 WeakPolarHBondContact CD-O 3.16Å; K344-H543 HydrophobicContact CG-CB 4.44Å; K344-H543 WeakPolarHBondContact CG-O 3.36Å; K344-L545 HydrophobicContact CB-CD2 4.15Å; K344-L545 HydrophobicContact CD-CD2 4.32Å; K344-L545 HydrophobicContact CD-CG 4Å; K344-L548 HydrophobicContact CB-CD1 3.72Å
345Q98.7Very high98.5Very high22 Ų2229.7 Ų29.710%0.10315%0.151CC..Hα-helixtrans-68.1-33.6-175.2-65.7-59.422.700112.6Y341 H342 I343 A349Y341-Q345 HydrophobicContact CD1-CG 4.35Å; Y341-Q345 HydrophobicContact CE1-CG 3.94Å; Y341-Q345 VanDerWaalsContact CZ-NE2 3.31Å; Y341-Q345 WeakPolarHBondContact O-CG 3.17Å; Y341-Q345 PolarHBondContact O-N 2.98Å; Y341-Q345 PolarHBondContact OH-NE2 3.38Å; H342-Q345 PolarHBondContact O-N 3.22Å; H342-Q345 VanDerWaalsContact O-N 3.14Å; I343-Q345 VanDerWaalsContact C-N 3.3Å; I343-Q345 PolarHBondContact O-N 3.18Å; Q345-A349 WeakPolarHBondContact O-CB 3.39Å; Q345-A349 PolarHBondContact O-N 3.35Å
346I98.9Very high98.6Very high0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-67.7-46.1174.7-65.4162.9000110.6I304 H342 I343 K344 A349 A350 Q377 L381 Q454I304-I346 HydrophobicContact CD1-CG1 4.31Å; I304-I346 HydrophobicContact CG2-CG1 4.03Å; H342-I346 WeakPolarHBondContact O-CG1 3.44Å; H342-I346 PolarHBondContact O-N 2.99Å; I343-I346 PolarHBondContact O-N 3.1Å; K344-I346 VanDerWaalsContact C-N 3.32Å; K344-I346 PolarHBondContact O-N 3.31Å; I346-A349 WeakPolarHBondContact O-CB 3.49Å; I346-A349 PolarHBondContact O-N 3.45Å; I346-A350 PolarHBondContact O-N 3.03Å; I346-Q377 HydrophobicContact CG2-CB 4.13Å; I346-L381 HydrophobicContact CG2-CD1 3.48Å; I346-L381 VanDerWaalsContact CG2-CD1 3.48Å; I346-Q454 HydrophobicContact CD1-CB 3.82Å; I346-Q454 HydrophobicContact CD1-CG 4.35Å
347I98.9Very high98.6Very high1 Ų126.2 Ų26.21%0.00512%0.122CC..Hα-helixtrans-63.7-44.3177.4-62.1172.1000110.6I343 K344 A349 A350 T351 C458 Q461 P541 H543 L548I343-I347 HydrophobicContact CG2-CD1 3.82Å; I343-I347 HydrophobicContact CG2-CG1 4.44Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 2.74Å; K344-I347 PolarHBondContact O-N 3.5Å; I347-A349 VanDerWaalsContact C-N 3.3Å; I347-A349 PolarHBondContact O-N 2.91Å; I347-A350 PolarHBondContact O-N 3.05Å; I347-T351 VanDerWaalsContact O-CB 3.31Å; I347-T351 WeakPolarHBondContact O-CB 3.37Å; I347-T351 PolarHBondContact O-N 3.13Å; I347-T351 PolarHBondContact O-OG1 2.94Å; I347-C458 HydrophobicContact CD1-CB 4.39Å; I347-C458 HydrophobicContact CG1-CB 3.93Å; I347-Q461 HydrophobicContact CD1-CB 3.86Å; I347-Q461 HydrophobicContact CD1-CG 4.03Å; I347-P541 HydrophobicContact CG2-CB 4.2Å; I347-P541 HydrophobicContact CG2-CG 3.78Å; I347-H543 HydrophobicContact CB-CB 4.02Å; I347-H543 HydrophobicContact CG2-CB 3.83Å; I347-L548 HydrophobicContact CD1-CD2 3.87Å
348F98.7Very high98.5Very high65 Ų6527.8 Ų27.829%0.28513%0.128SC..Hα-helixtrans-55.8-46.1175.5167.6-103.6000111.7K344 T351 S352 H543K344-F348 VanDerWaalsContact O-CB 3.27Å; K344-F348 WeakPolarHBondContact O-CB 3.47Å; K344-F348 PolarHBondContact O-N 3.46Å; F348-T351 PolarHBondContact O-N 3.23Å; F348-S352 WeakPolarHBondContact O-CB 3.35Å; F348-S352 PolarHBondContact O-N 2.77Å; F348-S352 PolarHBondContact O-OG 3.47Å; F348-H543 HydrophobicContact CB-CB 4.19Å; F348-H543 AromaticContact CD2-CD2 3.73Å; F348-H543 AromaticContact CD2-NE2 3.49Å; F348-H543 WeakPolarHBondContact CD2-NE2 3.24Å
349A98.9Very high98.4Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-61.9-48.8178.500000112.6L302 I304 Q345 I346 I347 S352 V353 V378L302-A349 HydrophobicContact CB-CB 4Å; L302-A349 HydrophobicContact CD1-CB 3.93Å; L302-A349 HydrophobicContact CD2-CB 4.11Å; L302-A349 HydrophobicContact CG-CB 4.24Å; I304-A349 HydrophobicContact CD1-CB 3.75Å; I304-A349 HydrophobicContact CG1-CB 4.28Å; Q345-A349 WeakPolarHBondContact O-CB 3.39Å; Q345-A349 PolarHBondContact O-N 3.35Å; I346-A349 WeakPolarHBondContact O-CB 3.49Å; I346-A349 PolarHBondContact O-N 3.45Å; I347-A349 VanDerWaalsContact C-N 3.3Å; I347-A349 PolarHBondContact O-N 2.91Å; A349-S352 PolarHBondContact O-N 3.5Å; A349-V353 WeakPolarHBondContact O-CG2 3.37Å; A349-V353 PolarHBondContact O-N 3.33Å; A349-V378 HydrophobicContact CB-CG1 4.45Å; A349-V378 HydrophobicContact CB-CG2 3.77Å
350A98.9Very high98.3Very high0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-62.9-42.4177.500000112.8I346 I347 S352 V353 A354 V378 L381 M385I346-A350 PolarHBondContact O-N 3.03Å; I347-A350 PolarHBondContact O-N 3.05Å; A350-S352 VanDerWaalsContact C-N 3.32Å; A350-S352 PolarHBondContact O-N 3.15Å; A350-V353 PolarHBondContact O-N 2.7Å; A350-A354 WeakPolarHBondContact O-CB 3.18Å; A350-A354 PolarHBondContact O-N 3.06Å; A350-V378 HydrophobicContact CB-CG1 4.4Å; A350-L381 HydrophobicContact CB-CB 3.41Å; A350-L381 VanDerWaalsContact CB-CB 3.41Å; A350-L381 HydrophobicContact CB-CD1 4.25Å; A350-L381 HydrophobicContact CB-CG 4.49Å; A350-M385 HydrophobicContact CB-CE 3.63Å; A350-M385 HydrophobicContact CB-SD 4.37Å
351T98.7Very high98.2Very high20 Ų2032.8 Ų32.812%0.12315%0.154CC..Hα-helixtrans-63.8-39.5176.6-51.80000110.8I347 F348 A354 D355 F540I347-T351 VanDerWaalsContact O-CB 3.31Å; I347-T351 WeakPolarHBondContact O-CB 3.37Å; I347-T351 PolarHBondContact O-N 3.13Å; I347-T351 PolarHBondContact O-OG1 2.94Å; F348-T351 PolarHBondContact O-N 3.23Å; T351-A354 PolarHBondContact O-N 3.14Å; T351-D355 VanDerWaalsContact O-CB 3.25Å; T351-D355 WeakPolarHBondContact O-CB 3.32Å; T351-D355 PolarHBondContact O-N 3.35Å; T351-F540 HydrophobicContact CG2-CB 4.34Å; T351-F540 HydrophobicContact CG2-CD1 3.93Å
352S98.6Very high98Very high22 Ų2229.3 Ų29.315%0.15414%0.143CC..Hα-helixtrans-64.1-40.2176.4-59.20000112F348 A349 A350 K356F348-S352 WeakPolarHBondContact O-CB 3.35Å; F348-S352 PolarHBondContact O-N 2.77Å; F348-S352 PolarHBondContact O-OG 3.47Å; A349-S352 PolarHBondContact O-N 3.5Å; A350-S352 VanDerWaalsContact C-N 3.32Å; A350-S352 PolarHBondContact O-N 3.15Å; S352-K356 WeakPolarHBondContact O-CG 3.49Å; S352-K356 PolarHBondContact O-N 3.32Å
353V98.7Very high98Very high0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-65.1-49.7174.3169.60000110.7L232 F270 A349 A350 D355 K356 I357 V364 I366 V378 A382L232-V353 HydrophobicContact CD1-CG1 3.59Å; F270-V353 HydrophobicContact CD2-CG2 3.68Å; F270-V353 HydrophobicContact CE2-CG2 3.91Å; F270-V353 HydrophobicContact CG-CG2 4.4Å; A349-V353 WeakPolarHBondContact O-CG2 3.37Å; A349-V353 PolarHBondContact O-N 3.33Å; A350-V353 PolarHBondContact O-N 2.7Å; V353-D355 VanDerWaalsContact C-N 3.34Å; V353-D355 PolarHBondContact O-N 2.92Å; V353-K356 PolarHBondContact O-N 3.44Å; V353-I357 HydrophobicContact CG1-CD1 3.96Å; V353-I357 WeakPolarHBondContact O-CG1 3.46Å; V353-I357 PolarHBondContact O-N 3.45Å; V353-I357 VanDerWaalsContact O-N 3.13Å; V353-V364 HydrophobicContact CG1-CG1 4.14Å; V353-V364 HydrophobicContact CG2-CG1 4.34Å; V353-I366 HydrophobicContact CG2-CD1 4.26Å; V353-V378 HydrophobicContact CB-CG1 4.4Å; V353-V378 HydrophobicContact CG2-CG1 3.76Å; V353-A382 HydrophobicContact CB-CB 4.21Å; V353-A382 HydrophobicContact CG1-CB 3.81Å
354A98.6Very high98Very high0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-60.6-42-18000000112A350 T351 K356 I357 E358 A382 M385 L386 F540A350-A354 WeakPolarHBondContact O-CB 3.18Å; A350-A354 PolarHBondContact O-N 3.06Å; T351-A354 PolarHBondContact O-N 3.14Å; A354-K356 PolarHBondContact O-N 3.13Å; A354-I357 PolarHBondContact O-N 3.39Å; A354-E358 WeakPolarHBondContact O-CB 3.47Å; A354-E358 PolarHBondContact O-N 2.89Å; A354-A382 HydrophobicContact CB-CB 4.48Å; A354-M385 HydrophobicContact CB-CB 4.14Å; A354-M385 HydrophobicContact CB-SD 4.01Å; A354-L386 HydrophobicContact CB-CD1 4.28Å; A354-L386 HydrophobicContact CB-CD2 4.04Å; A354-L386 HydrophobicContact CB-CG 3.94Å; A354-F540 HydrophobicContact CB-CD1 4.35Å; A354-F540 HydrophobicContact CB-CE1 3.72Å
355D98.1Very high98Very high45 Ų4526.5 Ų26.524%0.24113%0.131CC..Hα-helixtrans-60.9-42.8177.4173.274.4000111.8T351 V353 I357 N359 H360 F540T351-D355 VanDerWaalsContact O-CB 3.25Å; T351-D355 WeakPolarHBondContact O-CB 3.32Å; T351-D355 PolarHBondContact O-N 3.35Å; V353-D355 VanDerWaalsContact C-N 3.34Å; V353-D355 PolarHBondContact O-N 2.92Å; D355-I357 VanDerWaalsContact C-N 3.32Å; D355-I357 PolarHBondContact O-N 3.33Å; D355-N359 WeakPolarHBondContact O-CA 3.38Å; D355-N359 WeakPolarHBondContact O-CB 3.31Å; D355-N359 PolarHBondContact O-N 3.48Å; D355-N359 PolarHBondContact OD1-ND2 2.93Å; D355-H360 PolarHBondContact O-N 3.27Å; D355-H360 IonicContact OD2-CD2 3.41Å; D355-H360 PolarHBondContact OD2-CD2 2.89Å; D355-H360 IonicContact OD2-NE2 3.44Å; D355-H360 PolarHBondContact OD2-NE2 2.97Å; D355-F540 HydrophobicContact CB-CE1 4.33Å
356K97.5Very high98Very high59 Ų5925.4 Ų25.426%0.25713%0.126SC..Hα-helixtrans-67.5-34.9179.5-65.5-72164.9-125.20112.5L268 F270 S352 V353 A354 H360 K361 T362 V364L268-K356 HydrophobicContact CD2-CB 3.97Å; L268-K356 HydrophobicContact CD2-CD 3.78Å; L268-K356 HydrophobicContact CD2-CG 3.55Å; F270-K356 HydrophobicContact CE2-CG 4.34Å; F270-K356 HydrophobicContact CZ-CG 4.31Å; S352-K356 WeakPolarHBondContact O-CG 3.49Å; S352-K356 PolarHBondContact O-N 3.32Å; V353-K356 PolarHBondContact O-N 3.44Å; A354-K356 PolarHBondContact O-N 3.13Å; K356-H360 HydrophobicContact CD-CB 4.47Å; K356-H360 PolarHBondContact NZ-CD2 3.03Å; K356-H360 PolarHBondContact NZ-NE2 2.77Å; K356-H360 CarbonylContact O-C 3.24Å; K356-H360 WeakPolarHBondContact O-CB 3.46Å; K356-K361 PolarHBondContact O-N 2.99Å; K356-T362 PolarHBondContact O-N 3.04Å; K356-V364 HydrophobicContact CB-CG2 4.21Å
357I98Very high98Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-74.5-48.1176.9-69.1174.4000111W223 H225 A230 L232 V353 A354 D355 K361 V364 L386W223-I357 HydrophobicContact CE3-CG2 4.43Å; W223-I357 HydrophobicContact CZ3-CG2 3.74Å; H225-I357 HydrophobicContact CB-CG2 4.28Å; A230-I357 HydrophobicContact CB-CG2 4.09Å; L232-I357 HydrophobicContact CB-CD1 3.69Å; L232-I357 HydrophobicContact CD1-CD1 4.21Å; L232-I357 HydrophobicContact CG-CD1 4.4Å; V353-I357 HydrophobicContact CG1-CD1 3.96Å; V353-I357 WeakPolarHBondContact O-CG1 3.46Å; V353-I357 PolarHBondContact O-N 3.45Å; V353-I357 VanDerWaalsContact O-N 3.13Å; A354-I357 PolarHBondContact O-N 3.39Å; D355-I357 VanDerWaalsContact C-N 3.32Å; D355-I357 PolarHBondContact O-N 3.33Å; I357-K361 VanDerWaalsContact O-CA 3.28Å; I357-K361 WeakPolarHBondContact O-CA 3.41Å; I357-K361 PolarHBondContact O-N 3.07Å; I357-V364 HydrophobicContact CD1-CB 4.34Å; I357-V364 HydrophobicContact CD1-CG2 4.34Å; I357-V364 HydrophobicContact CG1-CB 4.41Å; I357-V364 HydrophobicContact CG1-CG2 3.95Å; I357-L386 HydrophobicContact CB-CD1 4.23Å; I357-L386 HydrophobicContact CD1-CD1 4.1Å; I357-L386 HydrophobicContact CG2-CD1 3.97Å; I357-L386 HydrophobicContact CG2-CD2 4.33Å
358E97.1Very high98Very high37 Ų3725.5 Ų25.517%0.17313%0.127CC..Hα-helixtrans-80.9-50.2-174.5-177.955.2-130.800113H225 A354 K361 L386 V538 F540H225-E358 IonicContact CD2-OE2 3.81Å; H225-E358 IonicContact NE2-OE1 2.79Å; H225-E358 IonicContact NE2-OE2 2.71Å; H225-E358 PolarHBondContact NE2-OE2 3.29Å; A354-E358 WeakPolarHBondContact O-CB 3.47Å; A354-E358 PolarHBondContact O-N 2.89Å; E358-K361 WeakPolarHBondContact O-CD 3.5Å; E358-K361 WeakPolarHBondContact O-CE 3.34Å; E358-K361 PolarHBondContact O-NZ 3.2Å; E358-K361 IonicContact OE1-NZ 2.79Å; E358-K361 PolarHBondContact OE1-NZ 2.97Å; E358-K361 IonicContact OE2-NZ 3.96Å; E358-L386 HydrophobicContact CB-CD2 3.83Å; E358-V538 HydrophobicContact CG-CG1 4.19Å; E358-V538 HydrophobicContact CG-CG2 4.22Å; E358-F540 HydrophobicContact CB-CZ 3.96Å; E358-F540 HydrophobicContact CG-CZ 4.17Å
359N96.1Very high97.9Very high95 Ų9523.1 Ų23.151%0.50812%0.118SC..THydrogen-bonded Turntrans-90.6-28.1-171.5-64.2-35.9000112.4D355D355-N359 WeakPolarHBondContact O-CA 3.38Å; D355-N359 WeakPolarHBondContact O-CB 3.31Å; D355-N359 PolarHBondContact O-N 3.48Å; D355-N359 PolarHBondContact OD1-ND2 2.93Å
360H95.6Very high97.9Very high99 Ų9925.1 Ų25.146%0.45813%0.129SC..SBendtrans-106.90.3180-60.7-84.4000113.9D355 K356 T362D355-H360 PolarHBondContact O-N 3.27Å; D355-H360 IonicContact OD2-CD2 3.41Å; D355-H360 PolarHBondContact OD2-CD2 2.89Å; D355-H360 IonicContact OD2-NE2 3.44Å; D355-H360 PolarHBondContact OD2-NE2 2.97Å; K356-H360 HydrophobicContact CD-CB 4.47Å; K356-H360 PolarHBondContact NZ-CD2 3.03Å; K356-H360 PolarHBondContact NZ-NE2 2.77Å; K356-H360 CarbonylContact O-C 3.24Å; K356-H360 WeakPolarHBondContact O-CB 3.46Å; H360-T362 PolarHBondContact O-N 3.35Å; H360-T362 PolarHBondContact O-OG1 3.48Å
361K96.2Very high97.8Very high64 Ų6425.1 Ų25.128%0.27813%0.129SC..  trans48.731.6178.6-52.5-46.3-170.3-174.10113.2H225 N261 K356 I357 E358H225-K361 PolarHBondContact NE2-NZ 2.85Å; H225-K361 VanDerWaalsContact NE2-NZ 3.19Å; N261-K361 PolarHBondContact ND2-O 2.78Å; K356-K361 PolarHBondContact O-N 2.99Å; I357-K361 VanDerWaalsContact O-CA 3.28Å; I357-K361 WeakPolarHBondContact O-CA 3.41Å; I357-K361 PolarHBondContact O-N 3.07Å; E358-K361 WeakPolarHBondContact O-CD 3.5Å; E358-K361 WeakPolarHBondContact O-CE 3.34Å; E358-K361 PolarHBondContact O-NZ 3.2Å; E358-K361 IonicContact OE1-NZ 2.79Å; E358-K361 PolarHBondContact OE1-NZ 2.97Å; E358-K361 IonicContact OE2-NZ 3.96Å
362T96.3Very high97.8Very high26 Ų2624.3 Ų24.316%0.1612%0.124CC..  trans-103.8135.7-172.5-63.90000110.1L268 K356 H360L268-T362 HydrophobicContact CB-CG2 4.1Å; K356-T362 PolarHBondContact O-N 3.04Å; H360-T362 PolarHBondContact O-N 3.35Å; H360-T362 PolarHBondContact O-OG1 3.48Å
363S98.2Very high97.8Very high1 Ų124 Ų241%0.00712%0.12CC..  trans-72.8145173.8-63.90000111.4S231 N261 L268S231-S363 PolarHBondContact N-OG 3.27Å; S231-S363 VanDerWaalsContact N-OG 3.08Å; S231-S363 CarbonylContact O-C 3.49Å; S231-S363 WeakPolarHBondContact O-CA 3.45Å; S231-S363 WeakPolarHBondContact OG-CB 3.38Å; S231-S363 PolarHBondContact OG-OG 2.93Å; N261-S363 WeakPolarHBondContact CB-OG 3.2Å; N261-S363 PolarHBondContact ND2-N 3.11Å; N261-S363 PolarHBondContact ND2-OG 3.09Å; N261-S363 VanDerWaalsContact ND2-OG 3.16Å; L268-S363 PolarHBondContact N-O 2.91Å
364V98.7Very high97.8Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-122.5132.9-177170.60000110.2S231 L232 T233 L268 F270 V353 K356 I357 I366S231-V364 PolarHBondContact O-N 3.44Å; L232-V364 HydrophobicContact CD1-CB 4.4Å; L232-V364 HydrophobicContact CD1-CG1 4.15Å; T233-V364 PolarHBondContact N-O 2.87Å; T233-V364 PolarHBondContact OG1-O 3.38Å; L268-V364 HydrophobicContact CB-CG2 4.38Å; L268-V364 HydrophobicContact CD2-CG2 4.5Å; L268-V364 CarbonylContact O-C 3.4Å; L268-V364 VanDerWaalsContact O-CA 3.28Å; L268-V364 WeakPolarHBondContact O-CA 3.03Å; F270-V364 HydrophobicContact CD2-CG1 3.68Å; F270-V364 HydrophobicContact CD2-CG2 4.4Å; F270-V364 HydrophobicContact CE2-CG1 4.34Å; F270-V364 HydrophobicContact CE2-CG2 4.28Å; V353-V364 HydrophobicContact CG1-CG1 4.14Å; V353-V364 HydrophobicContact CG2-CG1 4.34Å; K356-V364 HydrophobicContact CB-CG2 4.21Å; I357-V364 HydrophobicContact CD1-CB 4.34Å; I357-V364 HydrophobicContact CD1-CG2 4.34Å; I357-V364 HydrophobicContact CG1-CB 4.41Å; I357-V364 HydrophobicContact CG1-CG2 3.95Å; V364-I366 HydrophobicContact CG1-CB 4.44Å
365L98.8Very high97.8Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-108.1123.4161171.261.7000108.8P219 T233 A235 V254 L257 L267 L268 I269 F270P219-L365 HydrophobicContact CB-CD1 3.96Å; P219-L365 HydrophobicContact CG-CD1 4.32Å; P219-L365 HydrophobicContact CG-CD2 4.28Å; T233-L365 WeakPolarHBondContact O-CA 3.29Å; T233-L365 VanDerWaalsContact OG1-CA 3.25Å; T233-L365 WeakPolarHBondContact OG1-CA 3.47Å; T233-L365 WeakPolarHBondContact OG1-CB 3.43Å; T233-L365 WeakPolarHBondContact OG1-CD1 3.46Å; A235-L365 HydrophobicContact CB-CD1 3.92Å; V254-L365 HydrophobicContact CG2-CD2 4.33Å; L257-L365 HydrophobicContact CD1-CD1 4.39Å; L257-L365 HydrophobicContact CD1-CD2 4.5Å; L267-L365 HydrophobicContact CD1-CB 4.48Å; L267-L365 HydrophobicContact CD2-CB 4.2Å; L268-L365 PolarHBondContact O-N 2.57Å; I269-L365 CarbonylContact C-O 2.85Å; I269-L365 VanDerWaalsContact CA-O 3.27Å; I269-L365 WeakPolarHBondContact CA-O 3.38Å; I269-L365 HydrophobicContact CD1-CD2 4.19Å; I269-L365 HydrophobicContact CG1-CB 4.23Å; I269-L365 HydrophobicContact CG1-CD2 4.29Å; F270-L365 PolarHBondContact N-O 3.41Å
366I98.8Very high97.8Very high0 Ų022.8 Ų22.80%011%0.112CC..EExtended strand (participates in β ladder)trans-118.4135.1177-176.6165000112L232 T233 R234 A235 F270 L302 V353 V364 T375 V378 T379L232-I366 HydrophobicContact CD1-CG2 3.98Å; T233-I366 WeakPolarHBondContact O-CG2 3.48Å; T233-I366 PolarHBondContact O-N 3.28Å; R234-I366 WeakPolarHBondContact CA-O 3.49Å; A235-I366 PolarHBondContact N-O 3.1Å; F270-I366 HydrophobicContact CB-CB 4.33Å; F270-I366 HydrophobicContact CB-CD1 4.36Å; F270-I366 HydrophobicContact CB-CG1 4.19Å; F270-I366 WeakPolarHBondContact O-CA 3.39Å; L302-I366 HydrophobicContact CD1-CD1 3.74Å; V353-I366 HydrophobicContact CG2-CD1 4.26Å; V364-I366 HydrophobicContact CG1-CB 4.44Å; I366-T375 HydrophobicContact CG2-CG2 4.27Å; I366-V378 HydrophobicContact CD1-CB 3.57Å; I366-V378 HydrophobicContact CD1-CG1 3.25Å; I366-V378 HydrophobicContact CD1-CG2 4.15Å; I366-T379 HydrophobicContact CG2-CG2 3.58Å
367H98.7Very high97.9Very high0 Ų020.1 Ų20.10%010%0.1CC..EExtended strand (participates in β ladder)trans-140.6171.5172.570.887.7000111.1A235 F270 D271 A272 E289 T375A235-H367 HydrophobicContact CB-CB 4.29Å; A235-H367 WeakPolarHBondContact O-CA 3.27Å; A235-H367 WeakPolarHBondContact O-CB 3.44Å; F270-H367 PolarHBondContact O-N 3.01Å; F270-H367 VanDerWaalsContact O-N 3.07Å; D271-H367 VanDerWaalsContact CG-CE1 3.46Å; D271-H367 IonicContact OD1-CE1 3.45Å; D271-H367 IonicContact OD2-CE1 2.7Å; D271-H367 PolarHBondContact OD2-CE1 3.05Å; A272-H367 WeakPolarHBondContact CB-O 3.39Å; A272-H367 PolarHBondContact N-O 3.22Å; E289-H367 IonicContact OE1-CD2 3.69Å; E289-H367 IonicContact OE1-NE2 2.79Å; E289-H367 IonicContact OE2-CD2 3.67Å; E289-H367 IonicContact OE2-CE1 2.92Å; E289-H367 IonicContact OE2-NE2 3.28Å; E289-H367 PolarHBondContact OE2-NE2 3.49Å; H367-T375 WeakPolarHBondContact CA-OG1 3.44Å
368C98.1Very high98Very high3 Ų320.1 Ų20.12%0.0210%0.1CC..  trans-132-131.9166.964.30000108.5Q237 A272 R273 G371 R374 T375Q237-C368 WeakPolarHBondContact CB-O 3.48Å; A272-C368 HydrophobicContact CB-CB 3.83Å; R273-C368 HydrophobicContact CG-CB 4.34Å; C368-G371 VanDerWaalsContact SG-CA 3.59Å; C368-G371 PolarHBondContact SG-N 3.1Å; C368-R374 HydrophobicContact CB-CB 3.99Å; C368-T375 PolarHBondContact N-OG1 3.29Å; C368-T375 PolarHBondContact SG-OG1 3.41Å
369S98.1Very high98Very high15 Ų1518.3 Ų18.311%0.1059%0.092CC..SBendtrans-74.9-69.9169.8-62.10000109.8Q237 R273 N281 R374Q237-S369 VanDerWaalsContact CG-O 3.27Å; Q237-S369 WeakPolarHBondContact CG-O 3.48Å; Q237-S369 PolarHBondContact N-O 2.94Å; Q237-S369 VanDerWaalsContact N-O 3.1Å; Q237-S369 PolarHBondContact NE2-O 2.85Å; R273-S369 WeakPolarHBondContact CD-OG 3.34Å; N281-S369 PolarHBondContact ND2-OG 3.22Å; S369-R374 PolarHBondContact OG-NH2 3.23Å
370D97.4Very high98.2Very high41 Ų4113.8 Ų13.822%0.2197%0.068CC..SBendtrans-100.8-7.3-178.7-59.1-69.6000113.5S214 R215 R217 S236 W372S214-D370 PolarHBondContact OG-OD1 3.26Å; R215-D370 IonicContact NE-OD1 3.36Å; R217-D370 WeakPolarHBondContact CD-O 3.19Å; R217-D370 PolarHBondContact NE-O 2.86Å; S236-D370 WeakPolarHBondContact CB-O 3.48Å; D370-W372 HydrophobicContact CB-CD2 3.61Å; D370-W372 HydrophobicContact CB-CE3 3.82Å; D370-W372 HydrophobicContact CB-CG 4.34Å; D370-W372 HydrophobicContact CB-CH2 3.54Å; D370-W372 HydrophobicContact CB-CZ2 3.3Å; D370-W372 HydrophobicContact CB-CZ3 3.81Å; D370-W372 PolarHBondContact O-N 3.37Å; D370-W372 WeakPolarHBondContact OD2-CZ2 3.34Å
371G97.8Very high98.3Very high0 Ų09.1 Ų9.10%05%0.046CC..SBendtrans78.212.7174.900000116.4R217 R234 A235 C368 T375R217-G371 PolarHBondContact NH2-O 3.37Å; R234-G371 PolarHBondContact NH2-O 2.92Å; A235-G371 WeakPolarHBondContact O-CA 3.39Å; C368-G371 VanDerWaalsContact SG-CA 3.59Å; C368-G371 PolarHBondContact SG-N 3.1Å; G371-T375 WeakPolarHBondContact CA-OG1 2.99Å
372W98.2Very high98.5Very high4 Ų46.1 Ų6.12%0.0153%0.033CC..SBendtrans-117-7179.858.951.6000115.4T190 R215 D370 T376 G408 H409 K410T190-W372 HydrophobicContact CG2-CZ3 4.21Å; R215-W372 VanDerWaalsContact CD-CH2 3.43Å; R215-W372 VanDerWaalsContact NE-CH2 3.31Å; D370-W372 HydrophobicContact CB-CD2 3.61Å; D370-W372 HydrophobicContact CB-CE3 3.82Å; D370-W372 HydrophobicContact CB-CG 4.34Å; D370-W372 HydrophobicContact CB-CH2 3.54Å; D370-W372 HydrophobicContact CB-CZ2 3.3Å; D370-W372 HydrophobicContact CB-CZ3 3.81Å; D370-W372 PolarHBondContact O-N 3.37Å; D370-W372 WeakPolarHBondContact OD2-CZ2 3.34Å; W372-T376 VanDerWaalsContact C-OG1 3.25Å; W372-T376 PolarHBondContact O-OG1 2.97Å; W372-G408 WeakPolarHBondContact CB-O 3.1Å; W372-H409 PolarHBondContact O-ND1 2.97Å; W372-K410 HydrophobicContact CD2-CG 4.25Å; W372-K410 HydrophobicContact CG-CG 4.49Å; W372-K410 HydrophobicContact CH2-CD 4.43Å; W372-K410 HydrophobicContact CZ2-CD 4.09Å
373D98.7Very high98.6Very high14 Ų144.9 Ų4.98%0.0753%0.025CC..SBendtrans-107.4-90.9178.8-70.4-48000109.8T375 T376 Q377 H409 R414 V451D373-T375 VanDerWaalsContact C-N 3.31Å; D373-T375 PolarHBondContact O-N 3.47Å; D373-T376 WeakPolarHBondContact O-CB 3.4Å; D373-T376 PolarHBondContact O-N 2.91Å; D373-T376 VanDerWaalsContact O-N 3.08Å; D373-Q377 PolarHBondContact O-N 3.49Å; D373-H409 IonicContact OD1-CE1 2.66Å; D373-H409 PolarHBondContact OD1-CE1 3.24Å; D373-H409 VanDerWaalsContact OD1-CE1 3.27Å; D373-H409 IonicContact OD1-ND1 2.94Å; D373-R414 IonicContact OD1-CZ 3.59Å; D373-R414 IonicContact OD1-NE 3.35Å; D373-R414 PolarHBondContact OD1-NE 2.65Å; D373-R414 IonicContact OD1-NH2 3.1Å; D373-R414 IonicContact OD2-CZ 3.63Å; D373-R414 IonicContact OD2-NE 3.11Å; D373-R414 PolarHBondContact OD2-NE 2.7Å; D373-R414 IonicContact OD2-NH2 3.17Å; D373-R414 PolarHBondContact OD2-NH2 2.82Å; D373-V451 HydrophobicContact CB-CG1 4.06Å; D373-V451 HydrophobicContact CB-CG2 4.42Å
374R98.8Very high98.6Very high21 Ų214.9 Ų4.98%0.0793%0.026CC..Hα-helixtrans-59.2-40.6-177.4-67168.1-81.2-165.9-1.7112.8A272 I304 Q305 C368 S369 T376 Q377 V378A272-R374 HydrophobicContact CB-CB 3.67Å; I304-R374 HydrophobicContact CB-CG 4.03Å; I304-R374 HydrophobicContact CD1-CB 4.44Å; I304-R374 HydrophobicContact CG2-CB 4.48Å; I304-R374 HydrophobicContact CG2-CG 3.66Å; I304-R374 WeakPolarHBondContact O-CD 3.43Å; I304-R374 PolarHBondContact O-NH1 3.47Å; Q305-R374 WeakPolarHBondContact O-CD 3.38Å; C368-R374 HydrophobicContact CB-CB 3.99Å; S369-R374 PolarHBondContact OG-NH2 3.23Å; R374-T376 VanDerWaalsContact C-N 3.34Å; R374-T376 PolarHBondContact O-N 2.74Å; R374-Q377 PolarHBondContact O-N 2.91Å; R374-V378 VanDerWaalsContact O-CG2 3.3Å; R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 2.86Å
375T98.9Very high98.6Very high0 Ų05 Ų50%03%0.026CC..Hα-helixtrans-55.9-50.7174.5-58.40000110.6R234 I366 H367 C368 G371 D373 Q377 V378 T379R234-T375 HydrophobicContact CB-CG2 3.85Å; I366-T375 HydrophobicContact CG2-CG2 4.27Å; H367-T375 WeakPolarHBondContact CA-OG1 3.44Å; C368-T375 PolarHBondContact N-OG1 3.29Å; C368-T375 PolarHBondContact SG-OG1 3.41Å; G371-T375 WeakPolarHBondContact CA-OG1 2.99Å; D373-T375 VanDerWaalsContact C-N 3.31Å; D373-T375 PolarHBondContact O-N 3.47Å; T375-Q377 PolarHBondContact O-N 2.83Å; T375-V378 PolarHBondContact O-N 3.38Å; T375-T379 HydrophobicContact CG2-CG2 4.27Å; T375-T379 WeakPolarHBondContact O-CG2 3.41Å; T375-T379 PolarHBondContact O-N 2.93Å; T375-T379 PolarHBondContact O-OG1 3.21Å
376T98.9Very high98.6Very high0 Ų05.4 Ų5.40%03%0.028CC..Hα-helixtrans-61.3-44.3178.4-54.90000112.2R234 W372 D373 R374 V378 T379 S380 E403 W404R234-T376 PolarHBondContact NH2-OG1 3.49Å; W372-T376 VanDerWaalsContact C-OG1 3.25Å; W372-T376 PolarHBondContact O-OG1 2.97Å; D373-T376 WeakPolarHBondContact O-CB 3.4Å; D373-T376 PolarHBondContact O-N 2.91Å; D373-T376 VanDerWaalsContact O-N 3.08Å; R374-T376 VanDerWaalsContact C-N 3.34Å; R374-T376 PolarHBondContact O-N 2.74Å; T376-V378 VanDerWaalsContact C-N 3.29Å; T376-V378 PolarHBondContact O-N 2.59Å; T376-T379 PolarHBondContact O-N 2.95Å; T376-T379 PolarHBondContact O-OG1 2.96Å; T376-S380 WeakPolarHBondContact O-CB 3.48Å; T376-S380 PolarHBondContact O-N 3.1Å; T376-S380 PolarHBondContact O-OG 3.45Å; T376-E403 HydrophobicContact CG2-CB 4.38Å; T376-E403 WeakPolarHBondContact CG2-O 3.37Å; T376-W404 HydrophobicContact CG2-CB 4.44Å; T376-W404 HydrophobicContact CG2-CD2 3.44Å; T376-W404 VanDerWaalsContact CG2-CD2 3.44Å; T376-W404 VanDerWaalsContact CG2-CE2 3.47Å; T376-W404 HydrophobicContact CG2-CE3 3.82Å; T376-W404 HydrophobicContact CG2-CG 3.75Å; T376-W404 HydrophobicContact CG2-CH2 4.23Å; T376-W404 HydrophobicContact CG2-CZ2 3.87Å; T376-W404 HydrophobicContact CG2-CZ3 4.21Å
377Q98.9Very high98.6Very high2 Ų26.2 Ų6.21%0.0093%0.033CC..Hα-helixtrans-55.3-47175.7-70.8175.6-44.900111.4I346 D373 R374 T375 L381 W404 V451 F455I346-Q377 HydrophobicContact CG2-CB 4.13Å; D373-Q377 PolarHBondContact O-N 3.49Å; R374-Q377 PolarHBondContact O-N 2.91Å; T375-Q377 PolarHBondContact O-N 2.83Å; Q377-L381 WeakPolarHBondContact O-CB 3.46Å; Q377-L381 WeakPolarHBondContact O-CD1 3.22Å; Q377-L381 VanDerWaalsContact O-CG 3.24Å; Q377-L381 WeakPolarHBondContact O-CG 3.22Å; Q377-L381 PolarHBondContact O-N 3.11Å; Q377-W404 HydrophobicContact CG-CH2 3.76Å; Q377-W404 HydrophobicContact CG-CZ2 4.27Å; Q377-V451 HydrophobicContact CG-CG1 3.81Å; Q377-V451 PolarHBondContact NE2-O 3.36Å; Q377-F455 HydrophobicContact CG-CB 4.39Å
378V98.9Very high98.5Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-73.9-43.5-176.1177.90000111.7I304 A349 A350 V353 I366 R374 T375 T376 L381 A382I304-V378 HydrophobicContact CD1-CG2 3.56Å; A349-V378 HydrophobicContact CB-CG1 4.45Å; A349-V378 HydrophobicContact CB-CG2 3.77Å; A350-V378 HydrophobicContact CB-CG1 4.4Å; V353-V378 HydrophobicContact CB-CG1 4.4Å; V353-V378 HydrophobicContact CG2-CG1 3.76Å; I366-V378 HydrophobicContact CD1-CB 3.57Å; I366-V378 HydrophobicContact CD1-CG1 3.25Å; I366-V378 HydrophobicContact CD1-CG2 4.15Å; R374-V378 VanDerWaalsContact O-CG2 3.3Å; R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 2.86Å; T375-V378 PolarHBondContact O-N 3.38Å; T376-V378 VanDerWaalsContact C-N 3.29Å; T376-V378 PolarHBondContact O-N 2.59Å; V378-L381 PolarHBondContact O-N 3.08Å; V378-A382 VanDerWaalsContact O-CB 3.3Å; V378-A382 WeakPolarHBondContact O-CB 3.27Å; V378-A382 PolarHBondContact O-N 3.09Å
379T98.9Very high98.5Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-63.1-47.4179.156.80000110.9L232 R234 I366 T375 T376 L381 A382 M383 E403L232-T379 HydrophobicContact CD1-CG2 4.34Å; L232-T379 HydrophobicContact CD2-CG2 4.32Å; L232-T379 HydrophobicContact CG-CG2 4.34Å; R234-T379 HydrophobicContact CB-CG2 4.16Å; I366-T379 HydrophobicContact CG2-CG2 3.58Å; T375-T379 HydrophobicContact CG2-CG2 4.27Å; T375-T379 WeakPolarHBondContact O-CG2 3.41Å; T375-T379 PolarHBondContact O-N 2.93Å; T375-T379 PolarHBondContact O-OG1 3.21Å; T376-T379 PolarHBondContact O-N 2.95Å; T376-T379 PolarHBondContact O-OG1 2.96Å; T379-L381 PolarHBondContact O-N 2.69Å; T379-A382 PolarHBondContact O-N 3.43Å; T379-M383 WeakPolarHBondContact O-CB 2.98Å; T379-M383 WeakPolarHBondContact O-CG 3.38Å; T379-M383 PolarHBondContact O-N 3.3Å; T379-E403 WeakPolarHBondContact CB-OE2 3.47Å; T379-E403 PolarHBondContact OG1-OE2 2.85Å
380S99Very high98.6Very high0 Ų08.9 Ų8.90%04%0.043CC..Hα-helixtrans-61.2-42.8179.2-59.80000112.9T376 L384 E403 W404 F455T376-S380 WeakPolarHBondContact O-CB 3.48Å; T376-S380 PolarHBondContact O-N 3.1Å; T376-S380 PolarHBondContact O-OG 3.45Å; S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 PolarHBondContact O-N 3.19Å; S380-E403 WeakPolarHBondContact OG-CB 3.45Å; S380-W404 PolarHBondContact OG-NE1 3.13Å; S380-F455 VanDerWaalsContact CB-CE2 3.47Å
381L99Very high98.6Very high1 Ų17.1 Ų7.11%0.0053%0.034CC..Hα-helixtrans-70.9-39.5179-72.7168.8000112.3I346 A350 Q377 V378 T379 M383 L384 M385 F455 C458 V459I346-L381 HydrophobicContact CG2-CD1 3.48Å; I346-L381 VanDerWaalsContact CG2-CD1 3.48Å; A350-L381 HydrophobicContact CB-CB 3.41Å; A350-L381 VanDerWaalsContact CB-CB 3.41Å; A350-L381 HydrophobicContact CB-CD1 4.25Å; A350-L381 HydrophobicContact CB-CG 4.49Å; Q377-L381 WeakPolarHBondContact O-CB 3.46Å; Q377-L381 WeakPolarHBondContact O-CD1 3.22Å; Q377-L381 VanDerWaalsContact O-CG 3.24Å; Q377-L381 WeakPolarHBondContact O-CG 3.22Å; Q377-L381 PolarHBondContact O-N 3.11Å; V378-L381 PolarHBondContact O-N 3.08Å; T379-L381 PolarHBondContact O-N 2.69Å; L381-M383 VanDerWaalsContact C-N 3.32Å; L381-M383 PolarHBondContact O-N 2.93Å; L381-L384 HydrophobicContact CD2-CD2 4.37Å; L381-L384 WeakPolarHBondContact O-CB 3.43Å; L381-L384 PolarHBondContact O-N 3.2Å; L381-M385 HydrophobicContact CB-CE 4.29Å; L381-M385 VanDerWaalsContact O-CG 3.27Å; L381-M385 WeakPolarHBondContact O-CG 3.48Å; L381-M385 PolarHBondContact O-N 2.99Å; L381-F455 HydrophobicContact CD1-CD2 4.4Å; L381-F455 HydrophobicContact CD2-CD2 3.91Å; L381-F455 HydrophobicContact CD2-CE2 3.88Å; L381-F455 HydrophobicContact CG-CD2 3.79Å; L381-F455 HydrophobicContact CG-CE2 3.96Å; L381-C458 HydrophobicContact CD1-CB 3.6Å; L381-C458 HydrophobicContact CD2-CB 3.75Å; L381-C458 HydrophobicContact CG-CB 4.33Å; L381-V459 HydrophobicContact CD2-CG2 4.03Å
382A98.9Very high98.6Very high0 Ų08.3 Ų8.30%04%0.041CC..Hα-helixtrans-62.5-42.4174.900000110.9L232 V353 A354 V378 T379 L384 M385 L386L232-A382 HydrophobicContact CD2-CB 4.09Å; V353-A382 HydrophobicContact CB-CB 4.21Å; V353-A382 HydrophobicContact CG1-CB 3.81Å; A354-A382 HydrophobicContact CB-CB 4.48Å; V378-A382 VanDerWaalsContact O-CB 3.3Å; V378-A382 WeakPolarHBondContact O-CB 3.27Å; V378-A382 PolarHBondContact O-N 3.09Å; T379-A382 PolarHBondContact O-N 3.43Å; A382-L384 PolarHBondContact O-N 3.31Å; A382-M385 WeakPolarHBondContact O-CB 3.32Å; A382-M385 PolarHBondContact O-N 3.49Å; A382-L386 WeakPolarHBondContact O-CB 3.21Å; A382-L386 WeakPolarHBondContact O-CD1 3.27Å; A382-L386 WeakPolarHBondContact O-CG 3.36Å; A382-L386 PolarHBondContact O-N 3.2Å
383M98.9Very high98.6Very high0 Ų08.2 Ų8.20%04%0.04CC..Hα-helixtrans-59.7-44.8173.7-72.9165.569.900111.9W223 L232 T379 L381 M385 L386 D387 Y390 L399 K402 E403W223-M383 HydrophobicContact CB-CE 4.43Å; W223-M383 HydrophobicContact CB-CG 3.73Å; W223-M383 HydrophobicContact CB-SD 4.27Å; W223-M383 HydrophobicContact CG-CG 4.14Å; L232-M383 HydrophobicContact CD2-CG 3.99Å; T379-M383 WeakPolarHBondContact O-CB 2.98Å; T379-M383 WeakPolarHBondContact O-CG 3.38Å; T379-M383 PolarHBondContact O-N 3.3Å; L381-M383 VanDerWaalsContact C-N 3.32Å; L381-M383 PolarHBondContact O-N 2.93Å; M383-M385 VanDerWaalsContact C-N 3.26Å; M383-M385 PolarHBondContact O-N 2.91Å; M383-L386 PolarHBondContact O-N 3.27Å; M383-D387 PolarHBondContact O-N 3.39Å; M383-Y390 HydrophobicContact CB-CD2 3.75Å; M383-Y390 HydrophobicContact CB-CE2 3.67Å; M383-Y390 HydrophobicContact CE-CD2 4.44Å; M383-Y390 HydrophobicContact CE-CE1 4.16Å; M383-Y390 HydrophobicContact CE-CE2 3.52Å; M383-Y390 WeakPolarHBondContact CE-OH 3.46Å; M383-Y390 HydrophobicContact CG-CE2 4.21Å; M383-Y390 WeakPolarHBondContact O-CD2 3.27Å; M383-L399 HydrophobicContact CB-CD1 3.97Å; M383-L399 HydrophobicContact CE-CD1 3.65Å; M383-L399 HydrophobicContact SD-CD1 4.09Å; M383-K402 HydrophobicContact CE-CD 4.34Å; M383-E403 HydrophobicContact CE-CG 3.88Å; M383-E403 HydrophobicContact SD-CG 3.62Å
384L98.6Very high98.6Very high2 Ų214.2 Ų14.21%0.016%0.062CC..Hα-helixtrans-60.7-33.7176.5-166.772.3000113.2S380 L381 A382 Y390 R391 F396 L399 V459 F470S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 PolarHBondContact O-N 3.19Å; L381-L384 HydrophobicContact CD2-CD2 4.37Å; L381-L384 WeakPolarHBondContact O-CB 3.43Å; L381-L384 PolarHBondContact O-N 3.2Å; A382-L384 PolarHBondContact O-N 3.31Å; L384-Y390 WeakPolarHBondContact CD1-O 3.4Å; L384-R391 HydrophobicContact CD1-CG 3.83Å; L384-R391 HydrophobicContact CG-CG 4.15Å; L384-R391 WeakPolarHBondContact O-CD 3.45Å; L384-R391 WeakPolarHBondContact O-CG 3.44Å; L384-R391 PolarHBondContact O-NE 3.42Å; L384-F396 HydrophobicContact CD1-CD2 3.99Å; L384-F396 HydrophobicContact CD1-CE2 4.29Å; L384-L399 HydrophobicContact CB-CD2 4.47Å; L384-L399 HydrophobicContact CD1-CD2 4.22Å; L384-V459 HydrophobicContact CD2-CB 4.4Å; L384-V459 HydrophobicContact CD2-CG1 4.1Å; L384-V459 HydrophobicContact CD2-CG2 3.82Å; L384-F470 HydrophobicContact CD1-CE1 3.98Å; L384-F470 HydrophobicContact CD2-CE1 3.86Å; L384-F470 HydrophobicContact CD2-CZ 4.21Å; L384-F470 HydrophobicContact CG-CE1 3.92Å; L384-F470 HydrophobicContact CG-CZ 4.37Å
385M98.7Very high98.6Very high2 Ų213.2 Ų13.21%0.016%0.058CC..Hα-helixtrans-73.9-42.7176.2-70.7172-159.900112.3A350 A354 L381 A382 M383 V538 I539 P541A350-M385 HydrophobicContact CB-CE 3.63Å; A350-M385 HydrophobicContact CB-SD 4.37Å; A354-M385 HydrophobicContact CB-CB 4.14Å; A354-M385 HydrophobicContact CB-SD 4.01Å; L381-M385 HydrophobicContact CB-CE 4.29Å; L381-M385 VanDerWaalsContact O-CG 3.27Å; L381-M385 WeakPolarHBondContact O-CG 3.48Å; L381-M385 PolarHBondContact O-N 2.99Å; A382-M385 WeakPolarHBondContact O-CB 3.32Å; A382-M385 PolarHBondContact O-N 3.49Å; M383-M385 VanDerWaalsContact C-N 3.26Å; M383-M385 PolarHBondContact O-N 2.91Å; M385-V538 WeakPolarHBondContact O-CA 3.31Å; M385-I539 VanDerWaalsContact CB-O 3.23Å; M385-I539 WeakPolarHBondContact CB-O 3.32Å; M385-I539 WeakPolarHBondContact CG-O 3.31Å; M385-I539 PolarHBondContact O-N 3.44Å; M385-P541 HydrophobicContact CE-CG 3.59Å; M385-P541 HydrophobicContact SD-CG 4.35Å
386L98.6Very high98.6Very high8 Ų813.2 Ų13.24%0.0426%0.058CC..Hα-helixtrans-84.7-30.6-171.5-69.2167.5000113.7W223 A354 I357 E358 A382 M383 V538W223-L386 HydrophobicContact CE3-CD1 3.97Å; W223-L386 HydrophobicContact CH2-CB 3.77Å; W223-L386 HydrophobicContact CH2-CD1 4.3Å; W223-L386 HydrophobicContact CH2-CG 4.46Å; W223-L386 HydrophobicContact CZ2-CB 4Å; W223-L386 HydrophobicContact CZ3-CB 4.1Å; W223-L386 HydrophobicContact CZ3-CD1 3.76Å; W223-L386 HydrophobicContact CZ3-CG 4.39Å; A354-L386 HydrophobicContact CB-CD1 4.28Å; A354-L386 HydrophobicContact CB-CD2 4.04Å; A354-L386 HydrophobicContact CB-CG 3.94Å; I357-L386 HydrophobicContact CB-CD1 4.23Å; I357-L386 HydrophobicContact CD1-CD1 4.1Å; I357-L386 HydrophobicContact CG2-CD1 3.97Å; I357-L386 HydrophobicContact CG2-CD2 4.33Å; E358-L386 HydrophobicContact CB-CD2 3.83Å; A382-L386 WeakPolarHBondContact O-CB 3.21Å; A382-L386 WeakPolarHBondContact O-CD1 3.27Å; A382-L386 WeakPolarHBondContact O-CG 3.36Å; A382-L386 PolarHBondContact O-N 3.2Å; M383-L386 PolarHBondContact O-N 3.27Å; L386-V538 HydrophobicContact CD2-CG1 4.33Å
387D98.2Very high98.6Very high18 Ų1813.2 Ų13.210%0.0966%0.058CC..  trans-124.2110.1-172-172.4-13000110.8R168 W223 M383 Y389 Y390R168-D387 IonicContact CZ-OD2 3.81Å; R168-D387 VanDerWaalsContact CZ-OD2 3.28Å; R168-D387 IonicContact NH1-OD1 3.58Å; R168-D387 IonicContact NH1-OD2 3.85Å; R168-D387 PolarHBondContact NH1-OD2 2.72Å; R168-D387 IonicContact NH2-OD2 2.72Å; R168-D387 PolarHBondContact NH2-OD2 3.19Å; W223-D387 HydrophobicContact CZ2-CB 4.13Å; W223-D387 PolarHBondContact NE1-OD2 3.3Å; W223-D387 VanDerWaalsContact NE1-OD2 3.17Å; M383-D387 PolarHBondContact O-N 3.39Å; D387-Y389 PolarHBondContact O-N 3.41Å; D387-Y389 VanDerWaalsContact O-N 3.15Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.4Å; D387-Y389 PolarHBondContact OD1-N 3.46Å; D387-Y390 HydrophobicContact CB-CD2 3.68Å; D387-Y390 HydrophobicContact CB-CE2 3.85Å; D387-Y390 PolarHBondContact O-N 3.35Å
388P97.9Very high98.6Very high22 Ų2213.2 Ų13.214%0.1436%0.059CC..G310 helixtrans-62.5-20.9-179.625.8-32.6000113.3Y390 R391 A531 R537P388-Y390 VanDerWaalsContact C-N 3.28Å; P388-Y390 PolarHBondContact O-N 3.34Å; P388-R391 WeakPolarHBondContact O-CB 3.36Å; P388-R391 PolarHBondContact O-N 3.2Å; P388-A531 HydrophobicContact CB-CB 3.4Å; P388-A531 HydrophobicContact CG-CB 3.73Å; P388-R537 WeakPolarHBondContact CD-O 3.44Å
389Y98.2Very high98.6Very high52 Ų5213.2 Ų13.220%0.2046%0.059CC..G310 helixtrans-54.4-46.6175.1171.9-111000111.2R168 D387 R391 T392 G395 V398R168-Y389 VanDerWaalsContact NE-CD1 3.3Å; D387-Y389 PolarHBondContact O-N 3.41Å; D387-Y389 VanDerWaalsContact O-N 3.15Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.4Å; D387-Y389 PolarHBondContact OD1-N 3.46Å; Y389-R391 PolarHBondContact O-N 3.13Å; Y389-R391 VanDerWaalsContact O-N 3.07Å; Y389-T392 WeakPolarHBondContact O-CB 3.11Å; Y389-T392 WeakPolarHBondContact O-CG2 3.32Å; Y389-T392 PolarHBondContact O-N 3.31Å; Y389-T392 PolarHBondContact O-OG1 3.27Å; Y389-G395 WeakPolarHBondContact O-CA 3.48Å; Y389-V398 HydrophobicContact CE1-CB 4.27Å; Y389-V398 HydrophobicContact CE1-CG1 4.19Å; Y389-V398 WeakPolarHBondContact OH-CG2 3.46Å
390Y98.7Very high98.6Very high0 Ų013.2 Ų13.20%06%0.059CC..G310 helixtrans-68.8-8-178.7-58.2-56.1000114E165 R168 W223 M383 L384 D387 P388 G395 F396 V398 L399 K402E165-Y390 WeakPolarHBondContact OE1-CE1 3.39Å; E165-Y390 VanDerWaalsContact OE1-CZ 3.31Å; E165-Y390 PolarHBondContact OE1-OH 3.23Å; R168-Y390 VanDerWaalsContact NH2-CZ 3.3Å; R168-Y390 PolarHBondContact NH2-OH 2.72Å; R168-Y390 VanDerWaalsContact NH2-OH 3.13Å; W223-Y390 AromaticContact CD1-CE2 3.9Å; M383-Y390 HydrophobicContact CB-CD2 3.75Å; M383-Y390 HydrophobicContact CB-CE2 3.67Å; M383-Y390 HydrophobicContact CE-CD2 4.44Å; M383-Y390 HydrophobicContact CE-CE1 4.16Å; M383-Y390 HydrophobicContact CE-CE2 3.52Å; M383-Y390 WeakPolarHBondContact CE-OH 3.46Å; M383-Y390 HydrophobicContact CG-CE2 4.21Å; M383-Y390 WeakPolarHBondContact O-CD2 3.27Å; L384-Y390 WeakPolarHBondContact CD1-O 3.4Å; D387-Y390 HydrophobicContact CB-CD2 3.68Å; D387-Y390 HydrophobicContact CB-CE2 3.85Å; D387-Y390 PolarHBondContact O-N 3.35Å; P388-Y390 VanDerWaalsContact C-N 3.28Å; P388-Y390 PolarHBondContact O-N 3.34Å; Y390-G395 WeakPolarHBondContact CD1-O 3.4Å; Y390-F396 PolarHBondContact O-N 3.18Å; Y390-V398 HydrophobicContact CE1-CG1 4.35Å; Y390-L399 HydrophobicContact CD1-CB 3.77Å; Y390-L399 HydrophobicContact CD1-CD1 4.05Å; Y390-L399 HydrophobicContact CD1-CG 4.43Å; Y390-L399 HydrophobicContact CD2-CD1 4.31Å; Y390-L399 HydrophobicContact CE1-CB 4.36Å; Y390-L399 HydrophobicContact CE1-CD1 4.23Å; Y390-L399 HydrophobicContact CE2-CD1 4.49Å; Y390-L399 HydrophobicContact CG-CB 4.26Å; Y390-L399 HydrophobicContact CG-CD1 4.08Å; Y390-K402 PolarHBondContact OH-NZ 2.7Å
391R98.3Very high98.6Very high4 Ų414 Ų142%0.0156%0.062CC..G310 helixtrans-90.4-4.4173.1-58.3-173.8-92.3138.1-14113.1L384 P388 Y389 S469 F470 E471 H536 R537L384-R391 HydrophobicContact CD1-CG 3.83Å; L384-R391 HydrophobicContact CG-CG 4.15Å; L384-R391 WeakPolarHBondContact O-CD 3.45Å; L384-R391 WeakPolarHBondContact O-CG 3.44Å; L384-R391 PolarHBondContact O-NE 3.42Å; P388-R391 WeakPolarHBondContact O-CB 3.36Å; P388-R391 PolarHBondContact O-N 3.2Å; Y389-R391 PolarHBondContact O-N 3.13Å; Y389-R391 VanDerWaalsContact O-N 3.07Å; R391-S469 VanDerWaalsContact CB-O 3.29Å; R391-S469 WeakPolarHBondContact CB-O 3.34Å; R391-S469 WeakPolarHBondContact CD-O 3.1Å; R391-S469 VanDerWaalsContact NH1-CB 3.31Å; R391-S469 PolarHBondContact NH1-O 3.43Å; R391-S469 VanDerWaalsContact NH1-O 3.15Å; R391-F470 HydrophobicContact CB-CD1 3.84Å; R391-F470 HydrophobicContact CB-CE1 4.1Å; R391-F470 HydrophobicContact CB-CG 4.44Å; R391-F470 HydrophobicContact CG-CD1 3.94Å; R391-F470 HydrophobicContact CG-CE1 3.66Å; R391-F470 HydrophobicContact CG-CZ 4.18Å; R391-F470 WeakPolarHBondContact O-CA 3.42Å; R391-E471 PolarHBondContact O-N 2.85Å; R391-H536 PolarHBondContact NH2-O 3.44Å; R391-R537 VanDerWaalsContact NH2-C 3.34Å; R391-R537 PolarHBondContact NH2-O 3.46Å
392T98.3Very high98.6Very high25 Ų2513.9 Ų13.915%0.1536%0.062CC..SBendtrans-79161.4165.969.60000110.7Y389 G395 F396 E471Y389-T392 WeakPolarHBondContact O-CB 3.11Å; Y389-T392 WeakPolarHBondContact O-CG2 3.32Å; Y389-T392 PolarHBondContact O-N 3.31Å; Y389-T392 PolarHBondContact O-OG1 3.27Å; T392-G395 PolarHBondContact O-N 2.98Å; T392-G395 WeakPolarHBondContact OG1-CA 3.32Å; T392-G395 PolarHBondContact OG1-N 3.46Å; T392-F396 WeakPolarHBondContact O-CB 3.43Å; T392-F396 PolarHBondContact O-N 3.34Å; T392-E471 WeakPolarHBondContact CA-OE2 3.47Å; T392-E471 VanDerWaalsContact CB-OE2 3.32Å; T392-E471 WeakPolarHBondContact CB-OE2 3.06Å
393I98.6Very high98.6Very high1 Ų113.9 Ų13.91%0.0056%0.062CC..Hα-helixtrans-57.4-55.8173.3-71.5166.7000109G395 F396 E397 E471 F472 F476 I520 Q524I393-G395 VanDerWaalsContact C-N 3.35Å; I393-G395 PolarHBondContact O-N 3.48Å; I393-F396 PolarHBondContact O-N 3.15Å; I393-E397 WeakPolarHBondContact O-CG 3.36Å; I393-E397 PolarHBondContact O-N 3.39Å; I393-E471 HydrophobicContact CD1-CG 4.2Å; I393-E471 HydrophobicContact CG1-CB 4.46Å; I393-E471 HydrophobicContact CG1-CG 4.19Å; I393-E471 PolarHBondContact N-OE2 2.61Å; I393-F472 HydrophobicContact CG1-CB 3.8Å; I393-F476 HydrophobicContact CG2-CE2 4.08Å; I393-I520 HydrophobicContact CB-CD1 4.46Å; I393-I520 HydrophobicContact CD1-CD1 3.94Å; I393-I520 HydrophobicContact CD1-CG1 3.53Å; I393-I520 HydrophobicContact CG2-CD1 4.2Å; I393-I520 HydrophobicContact CG2-CG1 4.35Å; I393-Q524 HydrophobicContact CD1-CG 3.95Å
394R98.4Very high98.6Very high140 Ų14013.9 Ų13.953%0.5286%0.062SC..Hα-helixtrans-58.3-45.3-179.8-179.7174.5-178.6166.51.4112.3V159 F396 E397 V398V159-R394 HydrophobicContact CG2-CG 4.24Å; R394-F396 VanDerWaalsContact C-N 3.35Å; R394-F396 PolarHBondContact O-N 2.95Å; R394-E397 PolarHBondContact O-N 3.21Å; R394-V398 WeakPolarHBondContact O-CG2 3.45Å; R394-V398 PolarHBondContact O-N 3.41Å
395G98.7Very high98.6Very high0 Ų014.7 Ų14.70%07%0.067CC..Hα-helixtrans-66.5-36.8-179.800000112.4Y389 Y390 T392 I393 V398 L399Y389-G395 WeakPolarHBondContact O-CA 3.48Å; Y390-G395 WeakPolarHBondContact CD1-O 3.4Å; T392-G395 PolarHBondContact O-N 2.98Å; T392-G395 WeakPolarHBondContact OG1-CA 3.32Å; T392-G395 PolarHBondContact OG1-N 3.46Å; I393-G395 VanDerWaalsContact C-N 3.35Å; I393-G395 PolarHBondContact O-N 3.48Å; G395-V398 PolarHBondContact O-N 3.15Å; G395-L399 WeakPolarHBondContact O-CB 3.36Å; G395-L399 PolarHBondContact O-N 2.94Å
396F98.9Very high98.6Very high0 Ų014.8 Ų14.80%07%0.068CC..Hα-helixtrans-66.5-38.2175.2-164-89.3000112.3L384 Y390 T392 I393 R394 L399 V400 F455 I456 V459 F472 F476 L477 I480L384-F396 HydrophobicContact CD1-CD2 3.99Å; L384-F396 HydrophobicContact CD1-CE2 4.29Å; Y390-F396 PolarHBondContact O-N 3.18Å; T392-F396 WeakPolarHBondContact O-CB 3.43Å; T392-F396 PolarHBondContact O-N 3.34Å; I393-F396 PolarHBondContact O-N 3.15Å; R394-F396 VanDerWaalsContact C-N 3.35Å; R394-F396 PolarHBondContact O-N 2.95Å; F396-L399 HydrophobicContact CD2-CD2 4.33Å; F396-L399 HydrophobicContact CE2-CD2 4.4Å; F396-L399 WeakPolarHBondContact O-CB 3.12Å; F396-L399 PolarHBondContact O-N 3.45Å; F396-V400 HydrophobicContact CD1-CG2 3.93Å; F396-V400 HydrophobicContact CE1-CG2 3.66Å; F396-V400 HydrophobicContact CZ-CG2 4.36Å; F396-V400 WeakPolarHBondContact O-CG2 3.34Å; F396-V400 PolarHBondContact O-N 2.96Å; F396-F455 HydrophobicContact CE1-CE1 4.48Å; F396-F455 HydrophobicContact CE2-CE1 4.37Å; F396-F455 AromaticContact CE2-CZ 4Å; F396-F455 HydrophobicContact CE2-CZ 4Å; F396-F455 AromaticContact CZ-CE1 3.72Å; F396-F455 HydrophobicContact CZ-CE1 3.72Å; F396-F455 AromaticContact CZ-CZ 3.82Å; F396-F455 HydrophobicContact CZ-CZ 3.82Å; F396-I456 HydrophobicContact CE1-CD1 4.11Å; F396-I456 HydrophobicContact CZ-CD1 3.91Å; F396-V459 HydrophobicContact CE2-CB 4.43Å; F396-V459 HydrophobicContact CE2-CG1 3.84Å; F396-V459 HydrophobicContact CE2-CG2 3.78Å; F396-V459 HydrophobicContact CZ-CG1 4.26Å; F396-V459 HydrophobicContact CZ-CG2 3.99Å; F396-F472 HydrophobicContact CB-CD1 4.17Å; F396-F472 HydrophobicContact CB-CE1 3.65Å; F396-F472 HydrophobicContact CB-CZ 4.33Å; F396-F472 AromaticContact CD2-CE1 3.66Å; F396-F472 HydrophobicContact CD2-CE1 3.66Å; F396-F472 AromaticContact CD2-CZ 3.5Å; F396-F472 HydrophobicContact CD2-CZ 3.5Å; F396-F472 VanDerWaalsContact CD2-CZ 3.5Å; F396-F472 AromaticContact CE2-CZ 3.92Å; F396-F472 HydrophobicContact CE2-CZ 3.92Å; F396-F472 AromaticContact CG-CE1 3.78Å; F396-F472 HydrophobicContact CG-CE1 3.78Å; F396-F472 AromaticContact CG-CZ 3.95Å; F396-F472 HydrophobicContact CG-CZ 3.95Å; F396-F476 HydrophobicContact CB-CE1 4.11Å; F396-F476 HydrophobicContact CB-CZ 4.25Å; F396-F476 AromaticContact CD1-CE1 3.42Å; F396-F476 HydrophobicContact CD1-CE1 3.42Å; F396-F476 VanDerWaalsContact CD1-CE1 3.42Å; F396-F476 AromaticContact CD1-CZ 3.83Å; F396-F476 HydrophobicContact CD1-CZ 3.83Å; F396-F476 HydrophobicContact CE1-CE1 4.03Å; F396-F476 AromaticContact CG-CE1 3.9Å; F396-F476 HydrophobicContact CG-CE1 3.9Å; F396-F476 HydrophobicContact CG-CZ 4.38Å; F396-L477 HydrophobicContact CE1-CD2 4.31Å; F396-L477 HydrophobicContact CZ-CD2 4.13Å; F396-I480 HydrophobicContact CD1-CD1 4.11Å; F396-I480 HydrophobicContact CE1-CD1 3.85Å
397E98.9Very high98.6Very high0 Ų014.4 Ų14.40%07%0.066CC..Hα-helixtrans-59.1-46.6172.2-63.9179.2154.300110.9V159 I393 R394 L399 V400 E401 F476 W513 N517V159-E397 HydrophobicContact CG1-CB 4.35Å; V159-E397 HydrophobicContact CG2-CB 3.75Å; V159-E397 WeakPolarHBondContact CG2-OE2 3.11Å; I393-E397 WeakPolarHBondContact O-CG 3.36Å; I393-E397 PolarHBondContact O-N 3.39Å; R394-E397 PolarHBondContact O-N 3.21Å; E397-L399 PolarHBondContact O-N 3.41Å; E397-V400 PolarHBondContact O-N 3.15Å; E397-E401 PolarHBondContact O-N 3Å; E397-F476 HydrophobicContact CG-CZ 4.34Å; E397-W513 HydrophobicContact CB-CD2 3.99Å; E397-W513 HydrophobicContact CB-CE3 4.12Å; E397-W513 HydrophobicContact CB-CG 4.35Å; E397-W513 HydrophobicContact CG-CD2 3.84Å; E397-W513 HydrophobicContact CG-CE3 3.49Å; E397-W513 VanDerWaalsContact CG-CE3 3.49Å; E397-W513 HydrophobicContact CG-CG 4.36Å; E397-W513 HydrophobicContact CG-CZ3 3.92Å; E397-N517 PolarHBondContact OE1-ND2 3.15Å; E397-N517 PolarHBondContact OE2-ND2 3.08Å
398V98.9Very high98.6Very high3 Ų313.6 Ų13.62%0.0186%0.062CC..Hα-helixtrans-60.2-42.8173.6167.20000112.3V159 Y160 E165 Y389 Y390 R394 G395 V400 E401 K402V159-V398 HydrophobicContact CG2-CG2 4.29Å; V159-V398 WeakPolarHBondContact O-CG2 3.48Å; Y160-V398 HydrophobicContact CD2-CG1 3.97Å; Y160-V398 HydrophobicContact CE2-CG1 4.49Å; E165-V398 HydrophobicContact CB-CG1 4.46Å; E165-V398 HydrophobicContact CG-CG1 3.96Å; Y389-V398 HydrophobicContact CE1-CB 4.27Å; Y389-V398 HydrophobicContact CE1-CG1 4.19Å; Y389-V398 WeakPolarHBondContact OH-CG2 3.46Å; Y390-V398 HydrophobicContact CE1-CG1 4.35Å; R394-V398 WeakPolarHBondContact O-CG2 3.45Å; R394-V398 PolarHBondContact O-N 3.41Å; G395-V398 PolarHBondContact O-N 3.15Å; V398-V400 VanDerWaalsContact C-N 3.32Å; V398-V400 PolarHBondContact O-N 3.26Å; V398-E401 PolarHBondContact O-N 3.02Å; V398-K402 WeakPolarHBondContact O-CB 3.41Å; V398-K402 PolarHBondContact O-N 3.27Å
399L98.9Very high98.7Very high0 Ų012.6 Ų12.60%06%0.055CC..Hα-helixtrans-59.3-44.9178.7-17867.9000111.2M383 L384 Y390 G395 F396 E397 E403 F455M383-L399 HydrophobicContact CB-CD1 3.97Å; M383-L399 HydrophobicContact CE-CD1 3.65Å; M383-L399 HydrophobicContact SD-CD1 4.09Å; L384-L399 HydrophobicContact CB-CD2 4.47Å; L384-L399 HydrophobicContact CD1-CD2 4.22Å; Y390-L399 HydrophobicContact CD1-CB 3.77Å; Y390-L399 HydrophobicContact CD1-CD1 4.05Å; Y390-L399 HydrophobicContact CD1-CG 4.43Å; Y390-L399 HydrophobicContact CD2-CD1 4.31Å; Y390-L399 HydrophobicContact CE1-CB 4.36Å; Y390-L399 HydrophobicContact CE1-CD1 4.23Å; Y390-L399 HydrophobicContact CE2-CD1 4.49Å; Y390-L399 HydrophobicContact CG-CB 4.26Å; Y390-L399 HydrophobicContact CG-CD1 4.08Å; G395-L399 WeakPolarHBondContact O-CB 3.36Å; G395-L399 PolarHBondContact O-N 2.94Å; F396-L399 HydrophobicContact CD2-CD2 4.33Å; F396-L399 HydrophobicContact CE2-CD2 4.4Å; F396-L399 WeakPolarHBondContact O-CB 3.12Å; F396-L399 PolarHBondContact O-N 3.45Å; E397-L399 PolarHBondContact O-N 3.41Å; L399-E403 HydrophobicContact CD1-CG 4.02Å; L399-E403 WeakPolarHBondContact O-CB 3.38Å; L399-E403 PolarHBondContact O-N 3.3Å; L399-F455 HydrophobicContact CD2-CZ 4.19Å
400V98.9Very high98.7Very high0 Ų011.2 Ų11.20%05%0.05CC..Hα-helixtrans-66.8-49.8178.9173.30000110.7F396 E397 V398 K402 W404 C405 F452 F455 F492 W513F396-V400 HydrophobicContact CD1-CG2 3.93Å; F396-V400 HydrophobicContact CE1-CG2 3.66Å; F396-V400 HydrophobicContact CZ-CG2 4.36Å; F396-V400 WeakPolarHBondContact O-CG2 3.34Å; F396-V400 PolarHBondContact O-N 2.96Å; E397-V400 PolarHBondContact O-N 3.15Å; V398-V400 VanDerWaalsContact C-N 3.32Å; V398-V400 PolarHBondContact O-N 3.26Å; V400-K402 VanDerWaalsContact C-N 3.35Å; V400-K402 PolarHBondContact O-N 2.97Å; V400-W404 WeakPolarHBondContact O-CA 3.35Å; V400-W404 WeakPolarHBondContact O-CB 3.18Å; V400-W404 PolarHBondContact O-N 3.13Å; V400-W404 VanDerWaalsContact O-N 3.07Å; V400-C405 PolarHBondContact O-N 3.42Å; V400-C405 VanDerWaalsContact O-N 3.14Å; V400-F452 HydrophobicContact CG1-CE2 4.29Å; V400-F452 HydrophobicContact CG1-CZ 4Å; V400-F452 HydrophobicContact CG2-CE2 4.38Å; V400-F452 HydrophobicContact CG2-CZ 4.25Å; V400-F455 HydrophobicContact CG2-CE1 4.5Å; V400-F492 HydrophobicContact CG1-CE1 3.59Å; V400-F492 HydrophobicContact CG1-CZ 4Å; V400-W513 HydrophobicContact CB-CH2 4.23Å; V400-W513 HydrophobicContact CB-CZ2 4.16Å; V400-W513 HydrophobicContact CG1-CH2 4.04Å; V400-W513 HydrophobicContact CG1-CZ2 3.91Å
401E98.8Very high98.7Very high15 Ų1511.3 Ų11.37%0.075%0.05CC..Iπ-helixtrans-58.5-46.7178-76.7-67.1170.600111.9V159 Y160 E397 V398 C405 S406 T491 W513V159-E401 HydrophobicContact CG1-CG 4.21Å; Y160-E401 HydrophobicContact CD1-CB 3.67Å; Y160-E401 HydrophobicContact CG-CB 3.7Å; E397-E401 PolarHBondContact O-N 3Å; V398-E401 PolarHBondContact O-N 3.02Å; E401-C405 WeakPolarHBondContact O-CB 3.37Å; E401-C405 PolarHBondContact O-N 2.94Å; E401-C405 WeakPolarHBondContact OE2-CB 3.38Å; E401-S406 WeakPolarHBondContact O-CB 3.31Å; E401-S406 PolarHBondContact O-N 2.9Å; E401-S406 PolarHBondContact O-OG 3.2Å; E401-T491 WeakPolarHBondContact OE1-CG2 3.24Å; E401-W513 HydrophobicContact CG-CZ2 4.37Å; E401-W513 VanDerWaalsContact CG-NE1 3.32Å; E401-W513 PolarHBondContact OE1-NE1 3.18Å
402K98.8Very high98.6Very high0 Ų011.1 Ų11.10%05%0.05CC..Iπ-helixtrans-65.7-69.1178.9178.6178.8170.1-173.20112.1Y160 E165 S222 M383 Y390 V398 V400 W404 S406 F407Y160-K402 HydrophobicContact CD2-CB 4.39Å; Y160-K402 HydrophobicContact CE1-CB 4.48Å; Y160-K402 HydrophobicContact CE2-CB 3.7Å; Y160-K402 HydrophobicContact CE2-CD 4.46Å; Y160-K402 HydrophobicContact CE2-CG 4.22Å; E165-K402 HydrophobicContact CG-CD 3.82Å; E165-K402 IonicContact OE1-NZ 3.07Å; S222-K402 VanDerWaalsContact O-CE 3.32Å; S222-K402 WeakPolarHBondContact O-CE 3.48Å; S222-K402 PolarHBondContact O-NZ 3.26Å; M383-K402 HydrophobicContact CE-CD 4.34Å; Y390-K402 PolarHBondContact OH-NZ 2.7Å; V398-K402 WeakPolarHBondContact O-CB 3.41Å; V398-K402 PolarHBondContact O-N 3.27Å; V400-K402 VanDerWaalsContact C-N 3.35Å; V400-K402 PolarHBondContact O-N 2.97Å; K402-W404 VanDerWaalsContact C-N 3.34Å; K402-W404 PolarHBondContact O-N 2.92Å; K402-S406 WeakPolarHBondContact O-CB 3.47Å; K402-F407 HydrophobicContact CG-CD2 4.49Å; K402-F407 HydrophobicContact CG-CE2 4.33Å; K402-F407 VanDerWaalsContact O-CD2 3.24Å; K402-F407 WeakPolarHBondContact O-CD2 3.48Å; K402-F407 PolarHBondContact O-N 2.75Å
403E98.8Very high98.5Very high0 Ų012 Ų120%05%0.052CC..Iπ-helixtrans-76.2-24.6-164.5-70.2-62.5114.700112.9S222 R234 T376 T379 S380 M383 L399 F407S222-E403 PolarHBondContact OG-OE1 3.38Å; S222-E403 PolarHBondContact OG-OE2 3.47Å; R234-E403 IonicContact CZ-OE2 3.68Å; R234-E403 PolarHBondContact NH1-O 2.93Å; R234-E403 IonicContact NH1-OE1 3.93Å; R234-E403 IonicContact NH1-OE2 3.75Å; R234-E403 PolarHBondContact NH1-OE2 3.04Å; T376-E403 HydrophobicContact CG2-CB 4.38Å; T376-E403 WeakPolarHBondContact CG2-O 3.37Å; T379-E403 WeakPolarHBondContact CB-OE2 3.47Å; T379-E403 PolarHBondContact OG1-OE2 2.85Å; S380-E403 WeakPolarHBondContact OG-CB 3.45Å; M383-E403 HydrophobicContact CE-CG 3.88Å; M383-E403 HydrophobicContact SD-CG 3.62Å; L399-E403 HydrophobicContact CD1-CG 4.02Å; L399-E403 WeakPolarHBondContact O-CB 3.38Å; L399-E403 PolarHBondContact O-N 3.3Å; E403-F407 WeakPolarHBondContact O-CB 3.31Å
404W98.9Very high98.5Very high0 Ų012.5 Ų12.50%05%0.054CC..Iπ-helixtrans-103.9-61.9-177.9-61.574.1000112.7T376 Q377 S380 V400 K402 G408 H409 F411 V451 F452 F455T376-W404 HydrophobicContact CG2-CB 4.44Å; T376-W404 HydrophobicContact CG2-CD2 3.44Å; T376-W404 VanDerWaalsContact CG2-CD2 3.44Å; T376-W404 VanDerWaalsContact CG2-CE2 3.47Å; T376-W404 HydrophobicContact CG2-CE3 3.82Å; T376-W404 HydrophobicContact CG2-CG 3.75Å; T376-W404 HydrophobicContact CG2-CH2 4.23Å; T376-W404 HydrophobicContact CG2-CZ2 3.87Å; T376-W404 HydrophobicContact CG2-CZ3 4.21Å; Q377-W404 HydrophobicContact CG-CH2 3.76Å; Q377-W404 HydrophobicContact CG-CZ2 4.27Å; S380-W404 PolarHBondContact OG-NE1 3.13Å; V400-W404 WeakPolarHBondContact O-CA 3.35Å; V400-W404 WeakPolarHBondContact O-CB 3.18Å; V400-W404 PolarHBondContact O-N 3.13Å; V400-W404 VanDerWaalsContact O-N 3.07Å; K402-W404 VanDerWaalsContact C-N 3.34Å; K402-W404 PolarHBondContact O-N 2.92Å; W404-G408 PolarHBondContact O-N 3.21Å; W404-H409 HydrophobicContact CB-CB 4.29Å; W404-H409 HydrophobicContact CE3-CB 3.82Å; W404-H409 AromaticContact CE3-CD2 3.61Å; W404-H409 AromaticContact CE3-CG 3.47Å; W404-H409 VanDerWaalsContact CE3-CG 3.47Å; W404-H409 AromaticContact CE3-ND1 3.93Å; W404-H409 AromaticContact CZ3-CD2 3.87Å; W404-H409 AromaticContact CZ3-CE1 3.86Å; W404-H409 AromaticContact CZ3-CG 3.81Å; W404-H409 AromaticContact CZ3-ND1 3.8Å; W404-H409 AromaticContact CZ3-NE2 3.91Å; W404-H409 VanDerWaalsContact O-CB 3.27Å; W404-H409 WeakPolarHBondContact O-CB 3.33Å; W404-H409 PolarHBondContact O-N 3.32Å; W404-F411 HydrophobicContact CB-CE2 3.76Å; W404-F411 HydrophobicContact CB-CZ 3.7Å; W404-F411 HydrophobicContact CD2-CZ 4.47Å; W404-F411 HydrophobicContact CE3-CZ 4.12Å; W404-F411 HydrophobicContact CG-CZ 4.36Å; W404-V451 HydrophobicContact CH2-CG1 4.25Å; W404-V451 HydrophobicContact CZ3-CG1 4.17Å; W404-F452 AromaticContact CD2-CD2 3.4Å; W404-F452 HydrophobicContact CD2-CD2 3.4Å; W404-F452 VanDerWaalsContact CD2-CD2 3.4Å; W404-F452 AromaticContact CD2-CE2 3.62Å; W404-F452 HydrophobicContact CD2-CE2 3.62Å; W404-F452 AromaticContact CE2-CD2 3.66Å; W404-F452 AromaticContact CE2-CE2 3.83Å; W404-F452 HydrophobicContact CE3-CB 4.2Å; W404-F452 AromaticContact CE3-CD2 3.29Å; W404-F452 HydrophobicContact CE3-CD2 3.29Å; W404-F452 AromaticContact CE3-CE2 3.97Å; W404-F452 HydrophobicContact CE3-CE2 3.97Å; W404-F452 HydrophobicContact CE3-CG 4.13Å; W404-F452 HydrophobicContact CG-CD2 4.17Å; W404-F452 AromaticContact CG-CE2 3.92Å; W404-F452 HydrophobicContact CG-CE2 3.92Å; W404-F452 HydrophobicContact CH2-CB 4.29Å; W404-F452 AromaticContact CH2-CD2 3.73Å; W404-F452 HydrophobicContact CH2-CD2 3.73Å; W404-F452 AromaticContact CZ2-CD2 3.85Å; W404-F452 HydrophobicContact CZ2-CD2 3.85Å; W404-F452 HydrophobicContact CZ2-CE2 4.38Å; W404-F452 HydrophobicContact CZ3-CB 3.77Å; W404-F452 AromaticContact CZ3-CD2 3.46Å; W404-F452 HydrophobicContact CZ3-CD2 3.46Å; W404-F452 VanDerWaalsContact CZ3-CD2 3.46Å; W404-F452 HydrophobicContact CZ3-CE2 4.47Å; W404-F452 HydrophobicContact CZ3-CG 4.08Å; W404-F455 AromaticContact CE2-CD1 3.77Å; W404-F455 AromaticContact CE2-CG 3.92Å; W404-F455 HydrophobicContact CH2-CB 3.55Å; W404-F455 HydrophobicContact CH2-CD1 4.33Å; W404-F455 AromaticContact CH2-CG 4Å; W404-F455 HydrophobicContact CH2-CG 4Å; W404-F455 HydrophobicContact CZ2-CB 3.32Å; W404-F455 AromaticContact CZ2-CD1 3.53Å; W404-F455 HydrophobicContact CZ2-CD1 3.53Å; W404-F455 AromaticContact CZ2-CD2 3.75Å; W404-F455 HydrophobicContact CZ2-CD2 3.75Å; W404-F455 HydrophobicContact CZ2-CE1 4.24Å; W404-F455 HydrophobicContact CZ2-CE2 4.44Å; W404-F455 AromaticContact CZ2-CG 3.23Å; W404-F455 HydrophobicContact CZ2-CG 3.23Å; W404-F455 AromaticContact NE1-CD1 3.94Å; W404-F455 AromaticContact NE1-CE1 3.77Å; W404-F455 AromaticContact NE1-CZ 3.95Å
405C98.7Very high98.4Very high18 Ų186.6 Ų6.612%0.1223%0.034CC..Iπ-helixtrans-67.6-56.1-174.1-56.60000110.9V400 E401 G408 T491V400-C405 PolarHBondContact O-N 3.42Å; V400-C405 VanDerWaalsContact O-N 3.14Å; E401-C405 WeakPolarHBondContact O-CB 3.37Å; E401-C405 PolarHBondContact O-N 2.94Å; E401-C405 WeakPolarHBondContact OE2-CB 3.38Å; C405-G408 PolarHBondContact O-N 3.02Å; C405-T491 PolarHBondContact SG-O 3.27Å
406S98.6Very high98.2Very high5 Ų57.3 Ų7.34%0.0354%0.041CC..Iπ-helixtrans-67.6-44.8-176.1-770000112.9Y160 P192 E401 K402 G408 E497Y160-S406 WeakPolarHBondContact CE1-OG 3.48Å; P192-S406 WeakPolarHBondContact CD-O 3.44Å; E401-S406 WeakPolarHBondContact O-CB 3.31Å; E401-S406 PolarHBondContact O-N 2.9Å; E401-S406 PolarHBondContact O-OG 3.2Å; K402-S406 WeakPolarHBondContact O-CB 3.47Å; S406-G408 PolarHBondContact O-N 3.31Å; S406-G408 VanDerWaalsContact O-N 3.1Å; S406-E497 WeakPolarHBondContact CB-OE2 3.46Å; S406-E497 PolarHBondContact OG-OE2 2.93Å
407F98.8Very high98Very high0 Ų07.8 Ų7.80%05%0.046CC..THydrogen-bonded Turntrans-77.112.7177.3-83.2-70.9000114.9T190 Y191 P192 L195 R217 V220 R234 K402 E403T190-F407 CarbonylContact O-C 3.5Å; Y191-F407 AromaticContact CD1-CD1 3.68Å; Y191-F407 HydrophobicContact CD1-CD1 3.68Å; Y191-F407 HydrophobicContact CD1-CE1 4.15Å; Y191-F407 AromaticContact CE1-CD1 3.73Å; Y191-F407 HydrophobicContact CE1-CD1 3.73Å; Y191-F407 HydrophobicContact CE1-CE1 4.09Å; Y191-F407 HydrophobicContact CG-CD1 4.39Å; P192-F407 VanDerWaalsContact CD-CD1 3.43Å; P192-F407 HydrophobicContact CG-CD1 3.76Å; P192-F407 HydrophobicContact CG-CD2 4.02Å; P192-F407 HydrophobicContact CG-CE1 3.75Å; P192-F407 HydrophobicContact CG-CE2 4.04Å; P192-F407 HydrophobicContact CG-CG 3.88Å; P192-F407 HydrophobicContact CG-CZ 3.9Å; L195-F407 HydrophobicContact CD2-CE1 4.3Å; R217-F407 PolarHBondContact NH1-O 2.66Å; R217-F407 PolarHBondContact NH2-O 2.96Å; V220-F407 HydrophobicContact CG2-CE1 3.65Å; V220-F407 HydrophobicContact CG2-CZ 4.05Å; R234-F407 HydrophobicContact CG-CE1 4.39Å; R234-F407 VanDerWaalsContact CZ-CB 3.42Å; R234-F407 VanDerWaalsContact NH1-CB 3.28Å; K402-F407 HydrophobicContact CG-CD2 4.49Å; K402-F407 HydrophobicContact CG-CE2 4.33Å; K402-F407 VanDerWaalsContact O-CD2 3.24Å; K402-F407 WeakPolarHBondContact O-CD2 3.48Å; K402-F407 PolarHBondContact O-N 2.75Å; E403-F407 WeakPolarHBondContact O-CB 3.31Å
408G98.6Very high97.7Very high0 Ų08.8 Ų8.80%05%0.053CC..THydrogen-bonded Turntrans7535.9163.700000114.7T190 W372 W404 C405 S406 K410 N495T190-G408 WeakPolarHBondContact O-CA 3.41Å; W372-G408 WeakPolarHBondContact CB-O 3.1Å; W404-G408 PolarHBondContact O-N 3.21Å; C405-G408 PolarHBondContact O-N 3.02Å; S406-G408 PolarHBondContact O-N 3.31Å; S406-G408 VanDerWaalsContact O-N 3.1Å; G408-K410 PolarHBondContact O-N 3.28Å; G408-N495 CarbonylContact C-O 3.55Å; G408-N495 VanDerWaalsContact C-O 3.25Å; G408-N495 VanDerWaalsContact CA-O 3.23Å; G408-N495 WeakPolarHBondContact CA-O 3.46Å
409H98.8Very high97.4Very high2 Ų29.1 Ų9.11%0.0096%0.055CC..  trans-59.3129.9162.2-176.466.3000109W372 D373 W404 F411W372-H409 PolarHBondContact O-ND1 2.97Å; D373-H409 IonicContact OD1-CE1 2.66Å; D373-H409 PolarHBondContact OD1-CE1 3.24Å; D373-H409 VanDerWaalsContact OD1-CE1 3.27Å; D373-H409 IonicContact OD1-ND1 2.94Å; W404-H409 HydrophobicContact CB-CB 4.29Å; W404-H409 HydrophobicContact CE3-CB 3.82Å; W404-H409 AromaticContact CE3-CD2 3.61Å; W404-H409 AromaticContact CE3-CG 3.47Å; W404-H409 VanDerWaalsContact CE3-CG 3.47Å; W404-H409 AromaticContact CE3-ND1 3.93Å; W404-H409 AromaticContact CZ3-CD2 3.87Å; W404-H409 AromaticContact CZ3-CE1 3.86Å; W404-H409 AromaticContact CZ3-CG 3.81Å; W404-H409 AromaticContact CZ3-ND1 3.8Å; W404-H409 AromaticContact CZ3-NE2 3.91Å; W404-H409 VanDerWaalsContact O-CB 3.27Å; W404-H409 WeakPolarHBondContact O-CB 3.33Å; W404-H409 PolarHBondContact O-N 3.32Å; H409-F411 HydrophobicContact CB-CD2 4.41Å; H409-F411 HydrophobicContact CB-CE2 4.22Å; H409-F411 AromaticContact CD2-CD1 3.7Å; H409-F411 AromaticContact CD2-CD2 3.99Å; H409-F411 AromaticContact CD2-CE1 3.77Å; H409-F411 AromaticContact CD2-CG 3.83Å; H409-F411 AromaticContact CD2-CZ 3.94Å; H409-F411 PolarHBondContact O-N 3.3Å
410K98.2Very high97.1Very high23 Ų239.7 Ų9.710%0.16%0.057CC..  trans-79.762.4-171.7-61.2-157.6174174.20113.1W372 G408 A412 Q413 R414 N495W372-K410 HydrophobicContact CD2-CG 4.25Å; W372-K410 HydrophobicContact CG-CG 4.49Å; W372-K410 HydrophobicContact CH2-CD 4.43Å; W372-K410 HydrophobicContact CZ2-CD 4.09Å; G408-K410 PolarHBondContact O-N 3.28Å; K410-A412 VanDerWaalsContact C-N 3.33Å; K410-A412 PolarHBondContact O-N 3.37Å; K410-Q413 HydrophobicContact CB-CB 4.19Å; K410-Q413 PolarHBondContact O-N 2.8Å; K410-Q413 VanDerWaalsContact O-N 3.16Å; K410-R414 HydrophobicContact CB-CG 4.21Å; K410-R414 VanDerWaalsContact O-CB 3.32Å; K410-R414 WeakPolarHBondContact O-CB 3.4Å; K410-R414 WeakPolarHBondContact O-CG 3.27Å; K410-R414 PolarHBondContact O-N 3.16Å; K410-N495 VanDerWaalsContact CA-OD1 3.23Å; K410-N495 WeakPolarHBondContact CA-OD1 3.46Å; K410-N495 HydrophobicContact CB-CB 4.1Å; K410-N495 WeakPolarHBondContact CB-OD1 3.47Å; K410-N495 HydrophobicContact CG-CB 4.09Å; K410-N495 PolarHBondContact O-OD1 3.28Å
411F98.7Very high96.6Very high1 Ų110.1 Ų10.10%0.0046%0.062CC..Hα-helixtrans-52.7-47.6-174.2-78.8-72.2000113W404 H409 Q413 R414 T415 F452 L484 F492W404-F411 HydrophobicContact CB-CE2 3.76Å; W404-F411 HydrophobicContact CB-CZ 3.7Å; W404-F411 HydrophobicContact CD2-CZ 4.47Å; W404-F411 HydrophobicContact CE3-CZ 4.12Å; W404-F411 HydrophobicContact CG-CZ 4.36Å; H409-F411 HydrophobicContact CB-CD2 4.41Å; H409-F411 HydrophobicContact CB-CE2 4.22Å; H409-F411 AromaticContact CD2-CD1 3.7Å; H409-F411 AromaticContact CD2-CD2 3.99Å; H409-F411 AromaticContact CD2-CE1 3.77Å; H409-F411 AromaticContact CD2-CG 3.83Å; H409-F411 AromaticContact CD2-CZ 3.94Å; H409-F411 PolarHBondContact O-N 3.3Å; F411-Q413 PolarHBondContact O-N 3.48Å; F411-R414 PolarHBondContact O-N 3Å; F411-T415 WeakPolarHBondContact O-CB 2.99Å; F411-T415 WeakPolarHBondContact O-CG2 3.46Å; F411-T415 PolarHBondContact O-N 2.94Å; F411-T415 PolarHBondContact O-OG1 2.82Å; F411-F452 HydrophobicContact CE1-CB 4.01Å; F411-F452 AromaticContact CE1-CD1 3.77Å; F411-F452 HydrophobicContact CE1-CD1 3.77Å; F411-F452 AromaticContact CE1-CD2 3.99Å; F411-F452 HydrophobicContact CE1-CD2 3.99Å; F411-F452 HydrophobicContact CE1-CE1 4.11Å; F411-F452 HydrophobicContact CE1-CE2 4.32Å; F411-F452 AromaticContact CE1-CG 3.67Å; F411-F452 HydrophobicContact CE1-CG 3.67Å; F411-F452 HydrophobicContact CE1-CZ 4.36Å; F411-F452 HydrophobicContact CZ-CD1 4.5Å; F411-F452 HydrophobicContact CZ-CD2 4.12Å; F411-F452 HydrophobicContact CZ-CE2 4.15Å; F411-F452 HydrophobicContact CZ-CG 4.27Å; F411-F452 HydrophobicContact CZ-CZ 4.34Å; F411-L484 HydrophobicContact CD1-CD1 3.53Å; F411-L484 HydrophobicContact CE1-CD1 3.93Å; F411-L484 HydrophobicContact CG-CD1 4.49Å; F411-F492 HydrophobicContact CB-CB 4.37Å; F411-F492 VanDerWaalsContact CB-O 3.28Å; F411-F492 WeakPolarHBondContact CB-O 3.44Å; F411-F492 HydrophobicContact CD1-CB 4.16Å; F411-F492 HydrophobicContact CD1-CD1 4.03Å; F411-F492 HydrophobicContact CD1-CG 4.4Å; F411-F492 HydrophobicContact CD2-CD1 4.13Å; F411-F492 AromaticContact CE1-CD1 3.63Å; F411-F492 HydrophobicContact CE1-CD1 3.63Å; F411-F492 HydrophobicContact CE1-CE1 4.14Å; F411-F492 HydrophobicContact CE1-CG 4.33Å; F411-F492 AromaticContact CE2-CD1 3.75Å; F411-F492 HydrophobicContact CE2-CD1 3.75Å; F411-F492 HydrophobicContact CE2-CE1 4.32Å; F411-F492 HydrophobicContact CG-CB 4.14Å; F411-F492 HydrophobicContact CG-CD1 4.25Å; F411-F492 AromaticContact CZ-CD1 3.48Å; F411-F492 HydrophobicContact CZ-CD1 3.48Å; F411-F492 VanDerWaalsContact CZ-CD1 3.48Å; F411-F492 AromaticContact CZ-CE1 3.79Å; F411-F492 HydrophobicContact CZ-CE1 3.79Å
412A96.8Very high95.9Very high1 Ų110.4 Ų10.41%0.0087%0.069CC..Hα-helixtrans-59.6-49.2179.200000111.6K410 G416 G417 T419 D420 N495K410-A412 VanDerWaalsContact C-N 3.33Å; K410-A412 PolarHBondContact O-N 3.37Å; A412-G416 CarbonylContact O-C 3.54Å; A412-G416 VanDerWaalsContact O-CA 3.28Å; A412-G416 WeakPolarHBondContact O-CA 3.21Å; A412-G416 PolarHBondContact O-N 3.18Å; A412-G417 PolarHBondContact O-N 3.16Å; A412-T419 WeakPolarHBondContact CB-OG1 3.25Å; A412-D420 HydrophobicContact CB-CB 4.46Å; A412-N495 WeakPolarHBondContact CB-OD1 3.37Å; A412-N495 PolarHBondContact N-OD1 3.34Å
413Q96.7Very high95.2Very high43 Ų4310.8 Ų10.820%0.2017%0.071CC..Hα-helixtrans-70.9-40-179.4-65.4-173.5-17.300112.7K410 F411 G416 R448 N495K410-Q413 HydrophobicContact CB-CB 4.19Å; K410-Q413 PolarHBondContact O-N 2.8Å; K410-Q413 VanDerWaalsContact O-N 3.16Å; F411-Q413 PolarHBondContact O-N 3.48Å; Q413-G416 PolarHBondContact O-N 3.35Å; Q413-R448 WeakPolarHBondContact O-CD 3.03Å; Q413-R448 PolarHBondContact O-NH1 3.24Å; Q413-N495 PolarHBondContact N-OD1 3.33Å
414R97.9Very high94.2Very high11 Ų1113 Ų134%0.0428%0.08CC..Hα-helixtrans-70.6-34.3-176.4-67.2-72.1174.3-98.62.6112.2D373 K410 F411 E447 R448 S449D373-R414 IonicContact OD1-CZ 3.59Å; D373-R414 IonicContact OD1-NE 3.35Å; D373-R414 PolarHBondContact OD1-NE 2.65Å; D373-R414 IonicContact OD1-NH2 3.1Å; D373-R414 IonicContact OD2-CZ 3.63Å; D373-R414 IonicContact OD2-NE 3.11Å; D373-R414 PolarHBondContact OD2-NE 2.7Å; D373-R414 IonicContact OD2-NH2 3.17Å; D373-R414 PolarHBondContact OD2-NH2 2.82Å; K410-R414 HydrophobicContact CB-CG 4.21Å; K410-R414 VanDerWaalsContact O-CB 3.32Å; K410-R414 WeakPolarHBondContact O-CB 3.4Å; K410-R414 WeakPolarHBondContact O-CG 3.27Å; K410-R414 PolarHBondContact O-N 3.16Å; F411-R414 PolarHBondContact O-N 3Å; R414-E447 IonicContact CZ-OE2 3.59Å; R414-E447 PolarHBondContact NH1-O 2.68Å; R414-E447 IonicContact NH1-OE2 3.21Å; R414-E447 PolarHBondContact NH1-OE2 2.98Å; R414-E447 IonicContact NH2-OE2 2.7Å; R414-R448 CarbonylContact O-C 3.49Å; R414-R448 WeakPolarHBondContact O-CA 3.5Å; R414-S449 PolarHBondContact O-N 2.97Å
415T96.6Very high93.2Very high17 Ų1714.1 Ų14.110%0.1049%0.086CC..Hα-helixtrans-93.6-12.6177.965.30000113.5K102 F411 G417 L484 Y485K102-T415 VanDerWaalsContact CD-O 3.24Å; K102-T415 WeakPolarHBondContact CD-O 3.15Å; K102-T415 WeakPolarHBondContact CE-O 3.17Å; K102-T415 PolarHBondContact NZ-O 3.01Å; F411-T415 WeakPolarHBondContact O-CB 2.99Å; F411-T415 WeakPolarHBondContact O-CG2 3.46Å; F411-T415 PolarHBondContact O-N 2.94Å; F411-T415 PolarHBondContact O-OG1 2.82Å; T415-G417 PolarHBondContact OG1-N 3.3Å; T415-L484 HydrophobicContact CG2-CD1 3.98Å; T415-L484 HydrophobicContact CG2-CD2 4Å; T415-L484 HydrophobicContact CG2-CG 4.03Å; T415-Y485 HydrophobicContact CG2-CD1 4.35Å; T415-Y485 HydrophobicContact CG2-CE1 3.91Å
416G95.1Very high92Very high15 Ų1514.5 Ų14.516%0.1559%0.088CC..THydrogen-bonded Turntrans61.139.7-165.400000111.2K102 A412 Q413 R448K102-G416 WeakPolarHBondContact CE-O 3.35Å; K102-G416 PolarHBondContact NZ-O 3.16Å; A412-G416 CarbonylContact O-C 3.54Å; A412-G416 VanDerWaalsContact O-CA 3.28Å; A412-G416 WeakPolarHBondContact O-CA 3.21Å; A412-G416 PolarHBondContact O-N 3.18Å; Q413-G416 PolarHBondContact O-N 3.35Å; G416-R448 VanDerWaalsContact N-CD 3.27Å
417G93.6Very high90.5Very high9 Ų920.5 Ų20.59%0.09313%0.127CC..  trans-61.2166.7-177.700000112A412 T415 T419 D420A412-G417 PolarHBondContact O-N 3.16Å; T415-G417 PolarHBondContact OG1-N 3.3Å; G417-T419 PolarHBondContact O-N 3.36Å; G417-D420 WeakPolarHBondContact O-CB 3.32Å; G417-D420 PolarHBondContact O-N 2.88Å
418P93Very high88.6Confident22 Ų2222.2 Ų22.214%0.14314%0.139CC..THydrogen-bonded Turntrans-69-5.7-171.530.3-37.7000114.8P130 L137 A487 L493P130-P418 HydrophobicContact CG-CB 3.62Å; L137-P418 HydrophobicContact CD1-CB 3.59Å; L137-P418 HydrophobicContact CD1-CG 3.53Å; L137-P418 HydrophobicContact CD2-CG 4.44Å; P418-A487 HydrophobicContact CG-CB 3.58Å; P418-L493 HydrophobicContact CG-CD2 4.39Å
419T93.2Very high86.4Confident10 Ų1028.7 Ų28.76%0.06118%0.184CC..THydrogen-bonded Turntrans-103.7-2177.456.90000113.2L137 A412 G417 G421 G422 I423 L493 F494L137-T419 HydrophobicContact CD2-CG2 3.82Å; A412-T419 WeakPolarHBondContact CB-OG1 3.25Å; G417-T419 PolarHBondContact O-N 3.36Å; T419-G421 PolarHBondContact O-N 3.28Å; T419-G422 PolarHBondContact O-N 3.23Å; T419-I423 HydrophobicContact CG2-CG2 3.45Å; T419-I423 VanDerWaalsContact CG2-CG2 3.45Å; T419-L493 VanDerWaalsContact CB-O 3.29Å; T419-L493 WeakPolarHBondContact CB-O 3.43Å; T419-L493 HydrophobicContact CG2-CB 4.04Å; T419-L493 HydrophobicContact CG2-CD2 4.43Å; T419-L493 WeakPolarHBondContact CG2-O 3.43Å; T419-L493 PolarHBondContact OG1-O 3.22Å; T419-F494 HydrophobicContact CG2-CE1 4.32Å; T419-F494 HydrophobicContact CG2-CZ 4.47Å
420D92.9Very high84.1Confident11 Ų1133.7 Ų33.76%0.05922%0.219CC..THydrogen-bonded Turntrans-71.4111.2175.2-179.339.5000109.9A412 G417 S443 R448A412-D420 HydrophobicContact CB-CB 4.46Å; G417-D420 WeakPolarHBondContact O-CB 3.32Å; G417-D420 PolarHBondContact O-N 2.88Å; D420-S443 WeakPolarHBondContact OD1-CB 3.23Å; D420-S443 PolarHBondContact OD1-N 3.11Å; D420-S443 VanDerWaalsContact OD1-N 3.11Å; D420-S443 PolarHBondContact OD1-OG 2.85Å; D420-S443 PolarHBondContact OD2-N 3.41Å; D420-S443 PolarHBondContact OD2-OG 2.94Å; D420-R448 IonicContact OD2-CZ 3.73Å; D420-R448 IonicContact OD2-NH1 3.32Å; D420-R448 PolarHBondContact OD2-NH1 3.41Å; D420-R448 VanDerWaalsContact OD2-NH1 3.07Å; D420-R448 IonicContact OD2-NH2 3.79Å; D420-R448 PolarHBondContact OD2-NH2 2.95Å
421G86.5Confident81.4Confident10 Ų1036.6 Ų36.610%0.10324%0.239CC..THydrogen-bonded Turntrans101.512.2-167.800000114.1T419 G439 G440T419-G421 PolarHBondContact O-N 3.28Å; G421-G439 CarbonylContact O-C 3.31Å; G421-G440 CarbonylContact C-O 3.45Å; G421-G440 VanDerWaalsContact CA-O 3.25Å; G421-G440 WeakPolarHBondContact CA-O 3.41Å; G421-G440 CarbonylContact O-C 3.55Å; G421-G440 PolarHBondContact O-N 3.23Å
422G85.5Confident78.6Confident21 Ų2141.7 Ų41.722%0.21628%0.281CS..  trans95.6-178.817900000112.3A131 T419A131-G422 WeakPolarHBondContact CB-O 3.48Å; T419-G422 PolarHBondContact O-N 3.23Å
423I84.5Confident76Confident7 Ų746 Ų464%0.03631%0.307CS..  trans-136.6154.9-174.268.7171000111.7Y140 T419 L425 F494 H503Y140-I423 HydrophobicContact CE2-CD1 4.43Å; T419-I423 HydrophobicContact CG2-CG2 3.45Å; T419-I423 VanDerWaalsContact CG2-CG2 3.45Å; I423-L425 HydrophobicContact CD1-CD1 3.96Å; I423-L425 HydrophobicContact CD1-CD2 3.47Å; I423-L425 VanDerWaalsContact CD1-CD2 3.47Å; I423-L425 HydrophobicContact CD1-CG 3.58Å; I423-L425 HydrophobicContact CG1-CD1 4.49Å; I423-L425 HydrophobicContact CG1-CD2 4.39Å; I423-L425 HydrophobicContact CG1-CG 4.04Å; I423-F494 HydrophobicContact CD1-CE1 4.16Å; I423-F494 HydrophobicContact CD1-CZ 4.02Å; I423-F494 HydrophobicContact CG2-CE1 4.25Å; I423-H503 HydrophobicContact CD1-CB 3.67Å; I423-H503 WeakPolarHBondContact CD1-CD2 3.4Å; I423-H503 VanDerWaalsContact CD1-CG 3.47Å; I423-H503 VanDerWaalsContact CG1-CD2 3.43Å; I423-H503 WeakPolarHBondContact CG1-CD2 3.44Å
424Y77.8Confident73.3Confident47 Ų4750.1 Ų50.118%0.18434%0.335CS..BIsolated β-bridgetrans-114.2107.7169.4-69.9-89.6000108.1A131 K134 A136A131-Y424 WeakPolarHBondContact O-CE2 3.46Å; K134-Y424 HydrophobicContact CB-CD1 3.79Å; K134-Y424 HydrophobicContact CB-CD2 3.93Å; K134-Y424 HydrophobicContact CB-CE1 3.75Å; K134-Y424 HydrophobicContact CB-CE2 3.85Å; K134-Y424 HydrophobicContact CB-CG 3.87Å; K134-Y424 HydrophobicContact CD-CD1 4.41Å; K134-Y424 HydrophobicContact CD-CE1 3.58Å; K134-Y424 HydrophobicContact CD-CE2 4.37Å; K134-Y424 WeakPolarHBondContact CD-OH 3.22Å; K134-Y424 WeakPolarHBondContact CE-OH 3.42Å; K134-Y424 HydrophobicContact CG-CD1 4.26Å; K134-Y424 HydrophobicContact CG-CD2 4.26Å; K134-Y424 HydrophobicContact CG-CE1 3.69Å; K134-Y424 HydrophobicContact CG-CE2 3.65Å; A136-Y424 WeakPolarHBondContact CA-O 3.29Å
425L77.4Confident70.8Confident24 Ų2451.7 Ų51.713%0.12634%0.344CS..PPolyproline II helixtrans-81.8138.2-178.5-71.4166.9000109.7Y140 I423 N435Y140-L425 HydrophobicContact CD1-CD2 3.73Å; Y140-L425 HydrophobicContact CD2-CD2 4.11Å; Y140-L425 HydrophobicContact CE1-CD2 3.37Å; Y140-L425 HydrophobicContact CE2-CD2 3.8Å; Y140-L425 HydrophobicContact CG-CD2 4.08Å; Y140-L425 VanDerWaalsContact CZ-CD2 3.41Å; I423-L425 HydrophobicContact CD1-CD1 3.96Å; I423-L425 HydrophobicContact CD1-CD2 3.47Å; I423-L425 VanDerWaalsContact CD1-CD2 3.47Å; I423-L425 HydrophobicContact CD1-CG 3.58Å; I423-L425 HydrophobicContact CG1-CD1 4.49Å; I423-L425 HydrophobicContact CG1-CD2 4.39Å; I423-L425 HydrophobicContact CG1-CG 4.04Å; L425-N435 HydrophobicContact CB-CB 4.28Å; L425-N435 HydrophobicContact CD1-CB 4.31Å; L425-N435 WeakPolarHBondContact CD1-ND2 3.28Å
426P73Confident68.3Low25 Ų2558.5 Ų58.516%0.16238%0.375CS..PPolyproline II helixtrans-61.3150.2168.425.8-31.4000109.8A136 L141 S428 R508A136-P426 HydrophobicContact CB-CB 4.44Å; L141-P426 HydrophobicContact CD2-CB 4.26Å; L141-P426 HydrophobicContact CD2-CG 4.31Å; P426-S428 PolarHBondContact O-N 3.33Å; P426-R508 PolarHBondContact O-NH2 3.01Å
427P66.7Low66.1Low132 Ų13260.6 Ų60.686%0.85739%0.385SS*.PPolyproline II helixtrans-52.2130.7175.5-20.829.7000110.2
428S59.8Low64Low36 Ų3662.8 Ų62.825%0.25241%0.408SS..PPolyproline II helixtrans-88.6146.8170.677.10000109.3P426 S430 T431P426-S428 PolarHBondContact O-N 3.33Å; S428-S430 PolarHBondContact O-N 2.7Å; S428-T431 PolarHBondContact OG-N 3.33Å; S428-T431 PolarHBondContact OG-O 3.41Å; S428-T431 PolarHBondContact OG-OG1 3.46Å
429S51.7Low62.2Low135 Ų13564 Ų6494%0.94442%0.423SS*.SBendtrans-73.2-5.3174.1-42.30000113.3
430S51.3Low61Low108 Ų10865.4 Ų65.476%0.75544%0.44SS*.SBendtrans-139.13-163.547.60000116.1S428S428-S430 PolarHBondContact O-N 2.7Å
431T41.3Very low60.5Low83 Ų8376.2 Ų76.251%0.50948%0.48SS..  trans-143.8112.4176.223.10000111.5S428 V433S428-T431 PolarHBondContact OG-N 3.33Å; S428-T431 PolarHBondContact OG-O 3.41Å; S428-T431 PolarHBondContact OG-OG1 3.46Å; T431-V433 HydrophobicContact CG2-CG2 4.39Å; T431-V433 PolarHBondContact O-N 2.86Å
432A39.2Very low60.7Low108 Ų10877.7 Ų77.789%0.89349%0.488SS*.  trans-71.435.9170.900000112.9V434A432-V434 PolarHBondContact O-N 3.04Å
433V43.1Very low61Low92 Ų9277.8 Ų77.856%0.55849%0.485SS*.  trans-82.8105.8169.4-165.30000106T431 N435T431-V433 HydrophobicContact CG2-CG2 4.39Å; T431-V433 PolarHBondContact O-N 2.86Å; V433-N435 VanDerWaalsContact C-N 3.26Å; V433-N435 PolarHBondContact O-N 3.17Å
434V38.6Very low61.5Low129 Ų12980.1 Ų80.178%0.78250%0.502SS*.  trans-57.291.1172-171.40000107A432 E436A432-V434 PolarHBondContact O-N 3.04Å; V434-E436 PolarHBondContact O-N 3.11Å
435N46.3Very low62.2Low45 Ų4582.2 Ų82.224%0.24152%0.521CS..  trans-79.163.7-174.4-75.1-33000110.8L425 V433 T437L425-N435 HydrophobicContact CB-CB 4.28Å; L425-N435 HydrophobicContact CD1-CB 4.31Å; L425-N435 WeakPolarHBondContact CD1-ND2 3.28Å; V433-N435 VanDerWaalsContact C-N 3.26Å; V433-N435 PolarHBondContact O-N 3.17Å; N435-T437 VanDerWaalsContact C-N 3.25Å
436E43.7Very low63.1Low159 Ų15986.9 Ų86.974%0.74354%0.543SS*.  trans-92.663.2147.2-65-156.9161.100107.9V434 G438V434-E436 PolarHBondContact O-N 3.11Å; E436-G438 PolarHBondContact O-N 3.06Å
437T50.2Low64.2Low60 Ų6088.8 Ų88.837%0.36855%0.549SS..  trans-71.581.4161.548.20000107.2N435 H503N435-T437 VanDerWaalsContact C-N 3.25Å; T437-H503 PolarHBondContact OG1-NE2 3.26Å
438G49.1Very low65.7Low55 Ų5584.8 Ų84.857%0.56752%0.517SS*.  trans11.2108.1177.400000116.4E436 G440E436-G438 PolarHBondContact O-N 3.06Å; G438-G440 PolarHBondContact O-N 3.42Å
439G54.1Low67.5Low46 Ų4683.6 Ų83.647%0.47451%0.509SS..  trans-59.885.9161.900000109.7G421G421-G439 CarbonylContact O-C 3.31Å
440G69.5Low69.7Low40 Ų4077.6 Ų77.641%0.41247%0.467SS..PPolyproline II helixtrans-68160.1173.300000110.2G421 G438 P442G421-G440 CarbonylContact C-O 3.45Å; G421-G440 VanDerWaalsContact CA-O 3.25Å; G421-G440 WeakPolarHBondContact CA-O 3.41Å; G421-G440 CarbonylContact O-C 3.55Å; G421-G440 PolarHBondContact O-N 3.23Å; G438-G440 PolarHBondContact O-N 3.42Å; G440-P442 WeakPolarHBondContact O-CD 3.23Å
441R82.3Confident72Confident238 Ų23872.6 Ų72.690%0.89843%0.431SS*.PPolyproline II helixtrans-65.7132.1169.4-169.6177.9176.9175.8-0.4108.3
442P88.9Confident74.7Confident42 Ų4268.9 Ų68.927%0.27341%0.408SS..PPolyproline II helixtrans-51.1145.6168.4-26.234000110.7I132 G440I132-P442 HydrophobicContact CD1-CG 4.08Å; I132-P442 HydrophobicContact CG1-CG 3.81Å; G440-P442 WeakPolarHBondContact O-CD 3.23Å
443S92.2Very high77.5Confident22 Ų2263.9 Ų63.915%0.15437%0.366CS..PPolyproline II helixtrans-63.2156.3177.654.90000111.5D420 R448D420-S443 WeakPolarHBondContact OD1-CB 3.23Å; D420-S443 PolarHBondContact OD1-N 3.11Å; D420-S443 VanDerWaalsContact OD1-N 3.11Å; D420-S443 PolarHBondContact OD1-OG 2.85Å; D420-S443 PolarHBondContact OD2-N 3.41Å; D420-S443 PolarHBondContact OD2-OG 2.94Å; S443-R448 PolarHBondContact O-NH2 3.21Å; S443-R448 PolarHBondContact OG-NH1 3.31Å
444S94.6Very high80.2Confident56 Ų5659.5 Ų59.539%0.39234%0.34SS..PPolyproline II helixtrans-54.1143178.1176.80000110.9E446 E447S444-E446 PolarHBondContact O-N 2.82Å; S444-E446 WeakPolarHBondContact OG-CB 3.32Å; S444-E446 PolarHBondContact OG-N 2.67Å; S444-E446 VanDerWaalsContact OG-N 3.17Å; S444-E447 WeakPolarHBondContact O-CB 3.23Å; S444-E447 PolarHBondContact O-N 2.93Å
445P93.5Very high83.1Confident91 Ų9153.3 Ų53.359%0.59130%0.303SS*.G310 helixtrans-53.1-19.7168.2-26.235.4000113.7E447 R448P445-E447 PolarHBondContact O-N 3.18Å; P445-R448 WeakPolarHBondContact O-CB 3.49Å; P445-R448 WeakPolarHBondContact O-CG 3.5Å; P445-R448 PolarHBondContact O-N 3.17Å
446E95.6Very high85.6Confident122 Ų12251.2 Ų51.257%0.5729%0.291SS*.G310 helixtrans-70.6-13.3174.3-62.4-178.8165.300114.4H308 R311 S444H308-E446 PolarHBondContact CE1-O 3.42Å; H308-E446 PolarHBondContact ND1-O 3.48Å; R311-E446 PolarHBondContact NH1-O 3.42Å; R311-E446 PolarHBondContact NH2-O 3.32Å; S444-E446 PolarHBondContact O-N 2.82Å; S444-E446 WeakPolarHBondContact OG-CB 3.32Å; S444-E446 PolarHBondContact OG-N 2.67Å; S444-E446 VanDerWaalsContact OG-N 3.17Å
447E96.8Very high88.2Confident65 Ų6543.6 Ų43.630%0.30426%0.256SS..G310 helixtrans-85.5-8.8173.1-70.6-59.1139.900113.2R414 S444 P445R414-E447 IonicContact CZ-OE2 3.59Å; R414-E447 PolarHBondContact NH1-O 2.68Å; R414-E447 IonicContact NH1-OE2 3.21Å; R414-E447 PolarHBondContact NH1-OE2 2.98Å; R414-E447 IonicContact NH2-OE2 2.7Å; S444-E447 WeakPolarHBondContact O-CB 3.23Å; S444-E447 PolarHBondContact O-N 2.93Å; P445-E447 PolarHBondContact O-N 3.18Å
448R97.2Very high90.5Very high49 Ų4940.8 Ų40.819%0.18524%0.238CC..  trans-73.5133.1179.7-53-66.1175.8-102.5-1.2110.8R311 Q413 R414 G416 D420 S443 P445R311-R448 WeakPolarHBondContact CD-O 3.49Å; R311-R448 PolarHBondContact NH1-O 3.43Å; Q413-R448 WeakPolarHBondContact O-CD 3.03Å; Q413-R448 PolarHBondContact O-NH1 3.24Å; R414-R448 CarbonylContact O-C 3.49Å; R414-R448 WeakPolarHBondContact O-CA 3.5Å; G416-R448 VanDerWaalsContact N-CD 3.27Å; D420-R448 IonicContact OD2-CZ 3.73Å; D420-R448 IonicContact OD2-NH1 3.32Å; D420-R448 PolarHBondContact OD2-NH1 3.41Å; D420-R448 VanDerWaalsContact OD2-NH1 3.07Å; D420-R448 IonicContact OD2-NH2 3.79Å; D420-R448 PolarHBondContact OD2-NH2 2.95Å; S443-R448 PolarHBondContact O-NH2 3.21Å; S443-R448 PolarHBondContact OG-NH1 3.31Å; P445-R448 WeakPolarHBondContact O-CB 3.49Å; P445-R448 WeakPolarHBondContact O-CG 3.5Å; P445-R448 PolarHBondContact O-N 3.17Å
449S98.3Very high92.9Very high11 Ų1138.1 Ų38.18%0.07721%0.211CC..  trans-163.3142.2178.3178.70000112.3I307 R414 V451I307-S449 PolarHBondContact O-OG 3.27Å; R414-S449 PolarHBondContact O-N 2.97Å; S449-V451 PolarHBondContact O-N 3.13Å; S449-V451 WeakPolarHBondContact OG-CG2 3.38Å
450P98.1Very high95Very high8 Ų836.5 Ų36.55%0.05219%0.191CC..  trans-81.243.4-176.436.9-39.6000113.1M310 L314 W339 F452 L453 Q454M310-P450 HydrophobicContact CB-CG 4.25Å; L314-P450 HydrophobicContact CB-CG 3.97Å; L314-P450 HydrophobicContact CD2-CB 3.63Å; L314-P450 HydrophobicContact CD2-CG 3.92Å; W339-P450 HydrophobicContact CH2-CB 3.96Å; W339-P450 HydrophobicContact CH2-CG 3.75Å; W339-P450 HydrophobicContact CZ3-CB 4.4Å; W339-P450 HydrophobicContact CZ3-CG 3.72Å; P450-F452 PolarHBondContact O-N 3.48Å; P450-L453 HydrophobicContact CB-CB 4.04Å; P450-L453 HydrophobicContact CB-CD2 4.11Å; P450-L453 PolarHBondContact O-N 3.47Å; P450-Q454 WeakPolarHBondContact O-CG 3.43Å; P450-Q454 PolarHBondContact O-N 3.32Å
451V98.8Very high96.4Very high3 Ų334.6 Ų34.62%0.01817%0.171CC..Hα-helixtrans-61.4-48.9-173.5-178.90000111.4I307 D373 Q377 W404 S449 Q454 F455I307-V451 HydrophobicContact CG2-CG2 4.15Å; D373-V451 HydrophobicContact CB-CG1 4.06Å; D373-V451 HydrophobicContact CB-CG2 4.42Å; Q377-V451 HydrophobicContact CG-CG1 3.81Å; Q377-V451 PolarHBondContact NE2-O 3.36Å; W404-V451 HydrophobicContact CH2-CG1 4.25Å; W404-V451 HydrophobicContact CZ3-CG1 4.17Å; S449-V451 PolarHBondContact O-N 3.13Å; S449-V451 WeakPolarHBondContact OG-CG2 3.38Å; V451-Q454 PolarHBondContact O-N 2.74Å; V451-F455 PolarHBondContact O-N 3.38Å
452F98.9Very high97.2Very high6 Ų623.4 Ų23.43%0.02613%0.129CC..Hα-helixtrans-69.4-35.9177.5-170.4-120000112.5V400 W404 F411 P450 Q454 F455 I456 I480 M481 L484 F492V400-F452 HydrophobicContact CG1-CE2 4.29Å; V400-F452 HydrophobicContact CG1-CZ 4Å; V400-F452 HydrophobicContact CG2-CE2 4.38Å; V400-F452 HydrophobicContact CG2-CZ 4.25Å; W404-F452 AromaticContact CD2-CD2 3.4Å; W404-F452 HydrophobicContact CD2-CD2 3.4Å; W404-F452 VanDerWaalsContact CD2-CD2 3.4Å; W404-F452 AromaticContact CD2-CE2 3.62Å; W404-F452 HydrophobicContact CD2-CE2 3.62Å; W404-F452 AromaticContact CE2-CD2 3.66Å; W404-F452 AromaticContact CE2-CE2 3.83Å; W404-F452 HydrophobicContact CE3-CB 4.2Å; W404-F452 AromaticContact CE3-CD2 3.29Å; W404-F452 HydrophobicContact CE3-CD2 3.29Å; W404-F452 AromaticContact CE3-CE2 3.97Å; W404-F452 HydrophobicContact CE3-CE2 3.97Å; W404-F452 HydrophobicContact CE3-CG 4.13Å; W404-F452 HydrophobicContact CG-CD2 4.17Å; W404-F452 AromaticContact CG-CE2 3.92Å; W404-F452 HydrophobicContact CG-CE2 3.92Å; W404-F452 HydrophobicContact CH2-CB 4.29Å; W404-F452 AromaticContact CH2-CD2 3.73Å; W404-F452 HydrophobicContact CH2-CD2 3.73Å; W404-F452 AromaticContact CZ2-CD2 3.85Å; W404-F452 HydrophobicContact CZ2-CD2 3.85Å; W404-F452 HydrophobicContact CZ2-CE2 4.38Å; W404-F452 HydrophobicContact CZ3-CB 3.77Å; W404-F452 AromaticContact CZ3-CD2 3.46Å; W404-F452 HydrophobicContact CZ3-CD2 3.46Å; W404-F452 VanDerWaalsContact CZ3-CD2 3.46Å; W404-F452 HydrophobicContact CZ3-CE2 4.47Å; W404-F452 HydrophobicContact CZ3-CG 4.08Å; F411-F452 HydrophobicContact CE1-CB 4.01Å; F411-F452 AromaticContact CE1-CD1 3.77Å; F411-F452 HydrophobicContact CE1-CD1 3.77Å; F411-F452 AromaticContact CE1-CD2 3.99Å; F411-F452 HydrophobicContact CE1-CD2 3.99Å; F411-F452 HydrophobicContact CE1-CE1 4.11Å; F411-F452 HydrophobicContact CE1-CE2 4.32Å; F411-F452 AromaticContact CE1-CG 3.67Å; F411-F452 HydrophobicContact CE1-CG 3.67Å; F411-F452 HydrophobicContact CE1-CZ 4.36Å; F411-F452 HydrophobicContact CZ-CD1 4.5Å; F411-F452 HydrophobicContact CZ-CD2 4.12Å; F411-F452 HydrophobicContact CZ-CE2 4.15Å; F411-F452 HydrophobicContact CZ-CG 4.27Å; F411-F452 HydrophobicContact CZ-CZ 4.34Å; P450-F452 PolarHBondContact O-N 3.48Å; F452-Q454 VanDerWaalsContact C-N 3.34Å; F452-Q454 PolarHBondContact O-N 3.26Å; F452-F455 AromaticContact CD2-CD1 3.78Å; F452-F455 HydrophobicContact CD2-CD1 3.78Å; F452-F455 HydrophobicContact CD2-CE1 4.49Å; F452-F455 AromaticContact CE2-CD1 3.66Å; F452-F455 HydrophobicContact CE2-CD1 3.66Å; F452-F455 AromaticContact CE2-CE1 3.94Å; F452-F455 HydrophobicContact CE2-CE1 3.94Å; F452-F455 WeakPolarHBondContact O-CB 3.16Å; F452-F455 PolarHBondContact O-N 2.67Å; F452-F455 VanDerWaalsContact O-N 3.15Å; F452-I456 HydrophobicContact CD1-CG1 4.28Å; F452-I456 HydrophobicContact CE1-CD1 4.3Å; F452-I456 HydrophobicContact CE1-CG1 4.1Å; F452-I456 HydrophobicContact CE2-CD1 4.4Å; F452-I456 HydrophobicContact CZ-CD1 4.05Å; F452-I456 HydrophobicContact CZ-CG1 4.27Å; F452-I456 WeakPolarHBondContact O-CG1 3.27Å; F452-I456 PolarHBondContact O-N 2.85Å; F452-I480 HydrophobicContact CE1-CG2 3.65Å; F452-I480 HydrophobicContact CZ-CG2 3.97Å; F452-M481 HydrophobicContact CD1-SD 3.96Å; F452-M481 HydrophobicContact CE1-SD 4.32Å; F452-L484 HydrophobicContact CD1-CD2 3.83Å; F452-F492 HydrophobicContact CE1-CE1 4.27Å; F452-F492 HydrophobicContact CE1-CZ 4.22Å; F452-F492 HydrophobicContact CZ-CE1 4.15Å; F452-F492 HydrophobicContact CZ-CZ 4.26Å
453L98.7Very high97.6Very high2 Ų222.1 Ų22.11%0.0112%0.12CC..Hα-helixtrans-60.2-44173.1170.857.4000111.6L314 W339 P450 F455 I456 D457 M481 Y554 Y555L314-L453 HydrophobicContact CD1-CD2 4.18Å; L314-L453 HydrophobicContact CD2-CD2 4.33Å; W339-L453 HydrophobicContact CH2-CD2 4.36Å; W339-L453 HydrophobicContact CH2-CG 4.43Å; W339-L453 HydrophobicContact CZ2-CD2 4.43Å; W339-L453 HydrophobicContact CZ2-CG 4.28Å; P450-L453 HydrophobicContact CB-CB 4.04Å; P450-L453 HydrophobicContact CB-CD2 4.11Å; P450-L453 PolarHBondContact O-N 3.47Å; L453-F455 VanDerWaalsContact C-N 3.27Å; L453-F455 PolarHBondContact O-N 3.21Å; L453-I456 PolarHBondContact O-N 3.33Å; L453-D457 WeakPolarHBondContact O-CB 3.32Å; L453-D457 PolarHBondContact O-N 2.99Å; L453-M481 HydrophobicContact CB-CE 3.71Å; L453-M481 HydrophobicContact CB-SD 4.42Å; L453-M481 HydrophobicContact CD1-CE 3.96Å; L453-M481 HydrophobicContact CD1-CG 4.47Å; L453-M481 HydrophobicContact CD1-SD 4.35Å; L453-M481 HydrophobicContact CG-CE 4.34Å; L453-Y554 HydrophobicContact CD1-CD1 3.91Å; L453-Y554 HydrophobicContact CD1-CE1 3.27Å; L453-Y554 HydrophobicContact CD2-CE1 3.92Å; L453-Y554 HydrophobicContact CG-CE1 4.25Å; L453-Y555 HydrophobicContact CD2-CE1 4.15Å
454Q98.8Very high97.8Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-60.7-38175.5-73.6177.1-33.100112.2M310 W339 I343 I346 P450 V451 F452 D457 C458M310-Q454 PolarHBondContact SD-NE2 3.36Å; W339-Q454 HydrophobicContact CH2-CG 3.33Å; W339-Q454 HydrophobicContact CZ2-CG 3.71Å; W339-Q454 HydrophobicContact CZ3-CG 3.97Å; I343-Q454 HydrophobicContact CD1-CB 3.95Å; I343-Q454 HydrophobicContact CD1-CG 3.98Å; I346-Q454 HydrophobicContact CD1-CB 3.82Å; I346-Q454 HydrophobicContact CD1-CG 4.35Å; P450-Q454 WeakPolarHBondContact O-CG 3.43Å; P450-Q454 PolarHBondContact O-N 3.32Å; V451-Q454 PolarHBondContact O-N 2.74Å; F452-Q454 VanDerWaalsContact C-N 3.34Å; F452-Q454 PolarHBondContact O-N 3.26Å; Q454-D457 PolarHBondContact O-N 2.88Å; Q454-C458 PolarHBondContact O-N 2.99Å; Q454-C458 PolarHBondContact O-SG 3.4Å
455F98.9Very high97.9Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-61.6-51.2173.1162.2-107.2000111.3Q377 S380 L381 F396 L399 V400 W404 V451 F452 L453 D457 C458 V459Q377-F455 HydrophobicContact CG-CB 4.39Å; S380-F455 VanDerWaalsContact CB-CE2 3.47Å; L381-F455 HydrophobicContact CD1-CD2 4.4Å; L381-F455 HydrophobicContact CD2-CD2 3.91Å; L381-F455 HydrophobicContact CD2-CE2 3.88Å; L381-F455 HydrophobicContact CG-CD2 3.79Å; L381-F455 HydrophobicContact CG-CE2 3.96Å; F396-F455 HydrophobicContact CE1-CE1 4.48Å; F396-F455 HydrophobicContact CE2-CE1 4.37Å; F396-F455 AromaticContact CE2-CZ 4Å; F396-F455 HydrophobicContact CE2-CZ 4Å; F396-F455 AromaticContact CZ-CE1 3.72Å; F396-F455 HydrophobicContact CZ-CE1 3.72Å; F396-F455 AromaticContact CZ-CZ 3.82Å; F396-F455 HydrophobicContact CZ-CZ 3.82Å; L399-F455 HydrophobicContact CD2-CZ 4.19Å; V400-F455 HydrophobicContact CG2-CE1 4.5Å; W404-F455 AromaticContact CE2-CD1 3.77Å; W404-F455 AromaticContact CE2-CG 3.92Å; W404-F455 HydrophobicContact CH2-CB 3.55Å; W404-F455 HydrophobicContact CH2-CD1 4.33Å; W404-F455 AromaticContact CH2-CG 4Å; W404-F455 HydrophobicContact CH2-CG 4Å; W404-F455 HydrophobicContact CZ2-CB 3.32Å; W404-F455 AromaticContact CZ2-CD1 3.53Å; W404-F455 HydrophobicContact CZ2-CD1 3.53Å; W404-F455 AromaticContact CZ2-CD2 3.75Å; W404-F455 HydrophobicContact CZ2-CD2 3.75Å; W404-F455 HydrophobicContact CZ2-CE1 4.24Å; W404-F455 HydrophobicContact CZ2-CE2 4.44Å; W404-F455 AromaticContact CZ2-CG 3.23Å; W404-F455 HydrophobicContact CZ2-CG 3.23Å; W404-F455 AromaticContact NE1-CD1 3.94Å; W404-F455 AromaticContact NE1-CE1 3.77Å; W404-F455 AromaticContact NE1-CZ 3.95Å; V451-F455 PolarHBondContact O-N 3.38Å; F452-F455 AromaticContact CD2-CD1 3.78Å; F452-F455 HydrophobicContact CD2-CD1 3.78Å; F452-F455 HydrophobicContact CD2-CE1 4.49Å; F452-F455 AromaticContact CE2-CD1 3.66Å; F452-F455 HydrophobicContact CE2-CD1 3.66Å; F452-F455 AromaticContact CE2-CE1 3.94Å; F452-F455 HydrophobicContact CE2-CE1 3.94Å; F452-F455 WeakPolarHBondContact O-CB 3.16Å; F452-F455 PolarHBondContact O-N 2.67Å; F452-F455 VanDerWaalsContact O-N 3.15Å; L453-F455 VanDerWaalsContact C-N 3.27Å; L453-F455 PolarHBondContact O-N 3.21Å; F455-D457 VanDerWaalsContact C-N 3.28Å; F455-D457 PolarHBondContact O-N 3.42Å; F455-C458 WeakPolarHBondContact O-CA 3.49Å; F455-C458 WeakPolarHBondContact O-CB 3.49Å; F455-C458 PolarHBondContact O-N 2.82Å; F455-V459 HydrophobicContact CD2-CG2 4.25Å; F455-V459 HydrophobicContact CE1-CG2 4.24Å; F455-V459 HydrophobicContact CE2-CG2 3.81Å; F455-V459 HydrophobicContact CZ-CG2 3.8Å; F455-V459 WeakPolarHBondContact O-CG2 3.45Å; F455-V459 PolarHBondContact O-N 3.41Å
456I98.9Very high98.1Very high0 Ų022.7 Ų22.70%011%0.105CC..Hα-helixtrans-61.4-37.3179-63.2-62.5000111.6F396 F452 L453 V459 W460 L477 I480 M481 W551F396-I456 HydrophobicContact CE1-CD1 4.11Å; F396-I456 HydrophobicContact CZ-CD1 3.91Å; F452-I456 HydrophobicContact CD1-CG1 4.28Å; F452-I456 HydrophobicContact CE1-CD1 4.3Å; F452-I456 HydrophobicContact CE1-CG1 4.1Å; F452-I456 HydrophobicContact CE2-CD1 4.4Å; F452-I456 HydrophobicContact CZ-CD1 4.05Å; F452-I456 HydrophobicContact CZ-CG1 4.27Å; F452-I456 WeakPolarHBondContact O-CG1 3.27Å; F452-I456 PolarHBondContact O-N 2.85Å; L453-I456 PolarHBondContact O-N 3.33Å; I456-V459 WeakPolarHBondContact O-CB 3.27Å; I456-V459 PolarHBondContact O-N 2.94Å; I456-W460 PolarHBondContact O-N 3.01Å; I456-L477 HydrophobicContact CD1-CD2 4.37Å; I456-L477 HydrophobicContact CG2-CB 3.77Å; I456-L477 HydrophobicContact CG2-CD1 4.26Å; I456-L477 HydrophobicContact CG2-CD2 4.21Å; I456-L477 HydrophobicContact CG2-CG 4.31Å; I456-I480 HydrophobicContact CD1-CG2 4.35Å; I456-M481 HydrophobicContact CB-CG 4.22Å; I456-M481 HydrophobicContact CB-SD 4.03Å; I456-M481 HydrophobicContact CG1-CG 4.23Å; I456-M481 HydrophobicContact CG1-SD 3.67Å; I456-M481 HydrophobicContact CG2-CG 3.91Å; I456-M481 HydrophobicContact CG2-SD 4.38Å; I456-W551 HydrophobicContact CG2-CH2 3.72Å; I456-W551 HydrophobicContact CG2-CZ3 3.8Å
457D98.8Very high98Very high0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-61.7-47172.1-167-31.3000110.5W339 I343 L453 Q454 F455 V459 W460 Q461 W551 Y555W339-D457 PolarHBondContact NE1-OD2 3.34Å; I343-D457 HydrophobicContact CD1-CB 3.88Å; L453-D457 WeakPolarHBondContact O-CB 3.32Å; L453-D457 PolarHBondContact O-N 2.99Å; Q454-D457 PolarHBondContact O-N 2.88Å; F455-D457 VanDerWaalsContact C-N 3.28Å; F455-D457 PolarHBondContact O-N 3.42Å; D457-V459 VanDerWaalsContact C-N 3.28Å; D457-V459 PolarHBondContact O-N 3.48Å; D457-W460 CarbonylContact O-C 3.54Å; D457-W460 WeakPolarHBondContact O-CA 3.2Å; D457-W460 WeakPolarHBondContact O-CB 3.35Å; D457-W460 PolarHBondContact O-N 3.03Å; D457-Q461 WeakPolarHBondContact O-CG 3.45Å; D457-Q461 PolarHBondContact O-N 3.47Å; D457-Q461 PolarHBondContact OD1-NE2 3.17Å; D457-W551 HydrophobicContact CB-CE3 4.31Å; D457-Y555 WeakPolarHBondContact OD2-CE2 3.14Å; D457-Y555 PolarHBondContact OD2-OH 2.99Å
458C98.9Very high97.9Very high0 Ų021.1 Ų21.10%010%0.102CC..Hα-helixtrans-58.3-37.8174.9-65.40000112.9I347 L381 Q454 F455 Q461 T462I347-C458 HydrophobicContact CD1-CB 4.39Å; I347-C458 HydrophobicContact CG1-CB 3.93Å; L381-C458 HydrophobicContact CD1-CB 3.6Å; L381-C458 HydrophobicContact CD2-CB 3.75Å; L381-C458 HydrophobicContact CG-CB 4.33Å; Q454-C458 PolarHBondContact O-N 2.99Å; Q454-C458 PolarHBondContact O-SG 3.4Å; F455-C458 WeakPolarHBondContact O-CA 3.49Å; F455-C458 WeakPolarHBondContact O-CB 3.49Å; F455-C458 PolarHBondContact O-N 2.82Å; C458-Q461 PolarHBondContact O-N 2.76Å; C458-T462 PolarHBondContact O-N 3.01Å; C458-T462 PolarHBondContact O-OG1 2.79Å
459V98.9Very high97.9Very high0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-62.7-47.5173.1178.40000109.9L381 L384 F396 F455 I456 D457 Q461 T462 M463 F470 F472 L477L381-V459 HydrophobicContact CD2-CG2 4.03Å; L384-V459 HydrophobicContact CD2-CB 4.4Å; L384-V459 HydrophobicContact CD2-CG1 4.1Å; L384-V459 HydrophobicContact CD2-CG2 3.82Å; F396-V459 HydrophobicContact CE2-CB 4.43Å; F396-V459 HydrophobicContact CE2-CG1 3.84Å; F396-V459 HydrophobicContact CE2-CG2 3.78Å; F396-V459 HydrophobicContact CZ-CG1 4.26Å; F396-V459 HydrophobicContact CZ-CG2 3.99Å; F455-V459 HydrophobicContact CD2-CG2 4.25Å; F455-V459 HydrophobicContact CE1-CG2 4.24Å; F455-V459 HydrophobicContact CE2-CG2 3.81Å; F455-V459 HydrophobicContact CZ-CG2 3.8Å; F455-V459 WeakPolarHBondContact O-CG2 3.45Å; F455-V459 PolarHBondContact O-N 3.41Å; I456-V459 WeakPolarHBondContact O-CB 3.27Å; I456-V459 PolarHBondContact O-N 2.94Å; D457-V459 VanDerWaalsContact C-N 3.28Å; D457-V459 PolarHBondContact O-N 3.48Å; V459-Q461 PolarHBondContact O-N 3.34Å; V459-T462 WeakPolarHBondContact O-CB 3.47Å; V459-T462 PolarHBondContact O-N 2.74Å; V459-T462 VanDerWaalsContact O-N 3.11Å; V459-M463 HydrophobicContact CG1-SD 4.28Å; V459-M463 WeakPolarHBondContact O-CG 3.33Å; V459-M463 PolarHBondContact O-N 2.69Å; V459-F470 HydrophobicContact CG1-CE1 4.46Å; V459-F472 HydrophobicContact CG1-CE2 3.86Å; V459-F472 HydrophobicContact CG1-CZ 3.95Å; V459-L477 HydrophobicContact CB-CD1 4.32Å; V459-L477 HydrophobicContact CG1-CD1 4.02Å; V459-L477 HydrophobicContact CG1-CD2 3.95Å
460W98.7Very high97.9Very high11 Ų1118.5 Ų18.54%0.0429%0.091CC..Hα-helixtrans-59.7-43.6176.5-179.288.1000112.5I456 D457 T462 M463 Q464 E474 L477 Q549 W551I456-W460 PolarHBondContact O-N 3.01Å; D457-W460 CarbonylContact O-C 3.54Å; D457-W460 WeakPolarHBondContact O-CA 3.2Å; D457-W460 WeakPolarHBondContact O-CB 3.35Å; D457-W460 PolarHBondContact O-N 3.03Å; W460-T462 VanDerWaalsContact C-N 3.26Å; W460-T462 PolarHBondContact O-N 3.45Å; W460-M463 WeakPolarHBondContact O-CB 3.41Å; W460-M463 PolarHBondContact O-N 3.38Å; W460-M463 VanDerWaalsContact O-N 3.14Å; W460-Q464 HydrophobicContact CD2-CG 4.02Å; W460-Q464 VanDerWaalsContact CE2-NE2 3.29Å; W460-Q464 HydrophobicContact CE3-CG 4.04Å; W460-Q464 HydrophobicContact CH2-CG 3.72Å; W460-Q464 HydrophobicContact CZ2-CG 3.7Å; W460-Q464 HydrophobicContact CZ3-CG 3.89Å; W460-Q464 VanDerWaalsContact NE1-NE2 3.2Å; W460-Q464 WeakPolarHBondContact O-CG 3.18Å; W460-Q464 PolarHBondContact O-N 3.48Å; W460-E474 PolarHBondContact NE1-OE1 3.19Å; W460-L477 HydrophobicContact CB-CD1 3.81Å; W460-Q549 HydrophobicContact CH2-CB 3.78Å; W460-Q549 HydrophobicContact CZ3-CB 3.82Å; W460-W551 HydrophobicContact CB-CD2 4.23Å; W460-W551 HydrophobicContact CB-CE3 4.27Å; W460-W551 HydrophobicContact CB-CH2 4.38Å; W460-W551 HydrophobicContact CB-CZ2 4.31Å; W460-W551 HydrophobicContact CB-CZ3 4.36Å; W460-W551 AromaticContact CD1-CD1 3.92Å; W460-W551 AromaticContact CD1-CE2 3.45Å; W460-W551 VanDerWaalsContact CD1-CE2 3.45Å; W460-W551 AromaticContact CD1-CZ2 3.75Å; W460-W551 AromaticContact CD1-NE1 3.39Å; W460-W551 HydrophobicContact CD2-CB 4.12Å; W460-W551 AromaticContact CD2-CD1 3.66Å; W460-W551 AromaticContact CD2-CD2 3.95Å; W460-W551 HydrophobicContact CD2-CD2 3.95Å; W460-W551 AromaticContact CD2-CG 3.67Å; W460-W551 HydrophobicContact CD2-CG 3.67Å; W460-W551 AromaticContact CD2-NE1 3.93Å; W460-W551 AromaticContact CE2-CD1 3.26Å; W460-W551 AromaticContact CE2-CG 3.77Å; W460-W551 AromaticContact CE2-NE1 3.54Å; W460-W551 HydrophobicContact CE3-CB 3.85Å; W460-W551 HydrophobicContact CE3-CD2 4.45Å; W460-W551 AromaticContact CE3-CG 3.94Å; W460-W551 HydrophobicContact CE3-CG 3.94Å; W460-W551 AromaticContact CG-CD2 3.82Å; W460-W551 HydrophobicContact CG-CD2 3.82Å; W460-W551 AromaticContact CG-CE2 3.68Å; W460-W551 HydrophobicContact CG-CE3 4.35Å; W460-W551 HydrophobicContact CG-CG 4.07Å; W460-W551 HydrophobicContact CG-CZ2 4.08Å; W460-W551 AromaticContact CG-NE1 3.86Å; W460-W551 HydrophobicContact CH2-CB 4.22Å; W460-W551 HydrophobicContact CH2-CG 4.43Å; W460-W551 HydrophobicContact CZ2-CB 4.43Å; W460-W551 AromaticContact CZ2-CD1 3.57Å; W460-W551 HydrophobicContact CZ2-CG 4.16Å; W460-W551 HydrophobicContact CZ3-CB 3.91Å; W460-W551 HydrophobicContact CZ3-CG 4.31Å; W460-W551 AromaticContact NE1-CD1 3.4Å; W460-W551 AromaticContact NE1-CE2 3.72Å; W460-W551 AromaticContact NE1-NE1 3.13Å; W460-W551 VanDerWaalsContact NE1-NE1 3.13Å
461Q98.7Very high97.9Very high1 Ų120.4 Ų20.41%0.00510%0.1CC..Hα-helixtrans-57.1-42.1174-61.6-61-33.100111.2I343 I347 D457 C458 V459 Q464 Q465 L548 Q549I343-Q461 HydrophobicContact CG2-CG 3.81Å; I347-Q461 HydrophobicContact CD1-CB 3.86Å; I347-Q461 HydrophobicContact CD1-CG 4.03Å; D457-Q461 WeakPolarHBondContact O-CG 3.45Å; D457-Q461 PolarHBondContact O-N 3.47Å; D457-Q461 PolarHBondContact OD1-NE2 3.17Å; C458-Q461 PolarHBondContact O-N 2.76Å; V459-Q461 PolarHBondContact O-N 3.34Å; Q461-Q464 PolarHBondContact O-N 3Å; Q461-Q465 PolarHBondContact O-N 2.84Å; Q461-L548 HydrophobicContact CB-CD2 4.25Å; Q461-L548 HydrophobicContact CG-CD2 4.13Å; Q461-Q549 PolarHBondContact NE2-O 2.78Å
462T98.5Very high97.8Very high2 Ų220.2 Ų20.21%0.01210%0.099CC..Hα-helixtrans-67.1-39.8178.6-51.50000110.8C458 V459 W460 Q464 Q465 F466 F470 I539 P541C458-T462 PolarHBondContact O-N 3.01Å; C458-T462 PolarHBondContact O-OG1 2.79Å; V459-T462 WeakPolarHBondContact O-CB 3.47Å; V459-T462 PolarHBondContact O-N 2.74Å; V459-T462 VanDerWaalsContact O-N 3.11Å; W460-T462 VanDerWaalsContact C-N 3.26Å; W460-T462 PolarHBondContact O-N 3.45Å; T462-Q464 VanDerWaalsContact C-N 3.32Å; T462-Q464 PolarHBondContact O-N 3.21Å; T462-Q465 PolarHBondContact O-N 2.68Å; T462-F466 HydrophobicContact CG2-CD2 3.92Å; T462-F466 HydrophobicContact CG2-CE2 4.41Å; T462-F466 WeakPolarHBondContact O-CD2 3.41Å; T462-F466 PolarHBondContact O-N 3.03Å; T462-F470 HydrophobicContact CG2-CE2 3.88Å; T462-F470 HydrophobicContact CG2-CZ 3.67Å; T462-I539 HydrophobicContact CG2-CD1 3.83Å; T462-P541 HydrophobicContact CG2-CB 4.16Å; T462-P541 HydrophobicContact CG2-CG 4.11Å
463M97.7Very high97.7Very high16 Ų1620.1 Ų20.18%0.07910%0.099CC..Hα-helixtrans-62-37.3174.2-68.5170.865.200112.7V459 W460 Q465 F466 P467 F470 F472 L477V459-M463 HydrophobicContact CG1-SD 4.28Å; V459-M463 WeakPolarHBondContact O-CG 3.33Å; V459-M463 PolarHBondContact O-N 2.69Å; W460-M463 WeakPolarHBondContact O-CB 3.41Å; W460-M463 PolarHBondContact O-N 3.38Å; W460-M463 VanDerWaalsContact O-N 3.14Å; M463-Q465 PolarHBondContact O-N 3.48Å; M463-F466 CarbonylContact O-C 3.53Å; M463-F466 PolarHBondContact O-N 3.22Å; M463-P467 WeakPolarHBondContact O-CA 3.34Å; M463-F470 HydrophobicContact CB-CD2 4.26Å; M463-F470 HydrophobicContact CG-CB 4.17Å; M463-F470 HydrophobicContact CG-CD1 4.07Å; M463-F470 HydrophobicContact CG-CD2 3.61Å; M463-F470 HydrophobicContact CG-CE1 4.36Å; M463-F470 HydrophobicContact CG-CE2 3.96Å; M463-F470 HydrophobicContact CG-CG 3.67Å; M463-F470 HydrophobicContact CG-CZ 4.32Å; M463-F472 HydrophobicContact CE-CD2 4.09Å; M463-F472 HydrophobicContact CE-CE2 4.31Å; M463-F472 WeakPolarHBondContact CE-O 3.46Å; M463-F472 HydrophobicContact CG-CE2 4.4Å; M463-F472 HydrophobicContact SD-CD2 3.89Å; M463-F472 HydrophobicContact SD-CE2 3.53Å; M463-F472 VanDerWaalsContact SD-CE2 3.53Å; M463-L477 HydrophobicContact SD-CD1 3.49Å; M463-L477 WeakPolarHBondContact SD-CD1 3.23Å; M463-L477 HydrophobicContact SD-CG 4.15Å
464Q97.1Very high97.5Very high86 Ų8620.8 Ų20.840%0.40210%0.102SC..Hα-helixtrans-63.2-33.9176.3-61.8-42.3-64.500112W460 Q461 T462W460-Q464 HydrophobicContact CD2-CG 4.02Å; W460-Q464 VanDerWaalsContact CE2-NE2 3.29Å; W460-Q464 HydrophobicContact CE3-CG 4.04Å; W460-Q464 HydrophobicContact CH2-CG 3.72Å; W460-Q464 HydrophobicContact CZ2-CG 3.7Å; W460-Q464 HydrophobicContact CZ3-CG 3.89Å; W460-Q464 VanDerWaalsContact NE1-NE2 3.2Å; W460-Q464 WeakPolarHBondContact O-CG 3.18Å; W460-Q464 PolarHBondContact O-N 3.48Å; Q461-Q464 PolarHBondContact O-N 3Å; T462-Q464 VanDerWaalsContact C-N 3.32Å; T462-Q464 PolarHBondContact O-N 3.21Å
465Q97Very high97.3Very high47 Ų4725.5 Ų25.522%0.2212%0.119CC..Hα-helixtrans-84.4-28179.9-63.2-179.536.300112.8Q461 T462 M463 P467 Q542Q461-Q465 PolarHBondContact O-N 2.84Å; T462-Q465 PolarHBondContact O-N 2.68Å; M463-Q465 PolarHBondContact O-N 3.48Å; Q465-P467 VanDerWaalsContact C-CD 3.49Å; Q465-P467 WeakPolarHBondContact O-CD 3.38Å; Q465-Q542 PolarHBondContact NE2-O 3.23Å
466F96.5Very high97.3Very high48 Ų4825.5 Ų25.521%0.21112%0.119CC..  trans-126.867.5-178.1-59.1-85.1000112.1T462 M463 H468 S469 F470 I539 P541T462-F466 HydrophobicContact CG2-CD2 3.92Å; T462-F466 HydrophobicContact CG2-CE2 4.41Å; T462-F466 WeakPolarHBondContact O-CD2 3.41Å; T462-F466 PolarHBondContact O-N 3.03Å; M463-F466 CarbonylContact O-C 3.53Å; M463-F466 PolarHBondContact O-N 3.22Å; F466-H468 PolarHBondContact O-N 3.25Å; F466-S469 WeakPolarHBondContact O-CB 3.36Å; F466-S469 PolarHBondContact O-N 3.39Å; F466-F470 HydrophobicContact CB-CE2 4.37Å; F466-I539 HydrophobicContact CB-CD1 4.41Å; F466-I539 HydrophobicContact CD1-CB 4.13Å; F466-I539 HydrophobicContact CD1-CG2 3.87Å; F466-I539 HydrophobicContact CD2-CB 4.29Å; F466-I539 HydrophobicContact CD2-CD1 4.05Å; F466-I539 HydrophobicContact CE1-CB 3.95Å; F466-I539 HydrophobicContact CE1-CG2 3.98Å; F466-I539 HydrophobicContact CE2-CB 4.11Å; F466-I539 HydrophobicContact CG-CB 4.31Å; F466-I539 HydrophobicContact CG-CD1 4.18Å; F466-I539 HydrophobicContact CG-CG2 4.29Å; F466-I539 HydrophobicContact CZ-CB 3.94Å; F466-I539 HydrophobicContact CZ-CG2 4.48Å; F466-P541 HydrophobicContact CE2-CB 4.09Å
467P94.2Very high97.2Very high56 Ų5625.5 Ų25.536%0.36412%0.119SC..THydrogen-bonded Turntrans-63.8-18.7-170.823.9-35.1000115M463 Q465 N525M463-P467 WeakPolarHBondContact O-CA 3.34Å; Q465-P467 VanDerWaalsContact C-CD 3.49Å; Q465-P467 WeakPolarHBondContact O-CD 3.38Å; P467-N525 PolarHBondContact O-ND2 3.42Å
468H95.3Very high97.1Very high97 Ų9726.2 Ų26.245%0.44912%0.123SC..THydrogen-bonded Turntrans-97-5178.3-54.496.7000113.3F466 L527 Y528 T529F466-H468 PolarHBondContact O-N 3.25Å; H468-L527 WeakPolarHBondContact CA-O 3.37Å; H468-L527 PolarHBondContact CD2-O 2.84Å; H468-Y528 WeakPolarHBondContact O-CD2 3.28Å; H468-T529 PolarHBondContact O-N 2.96Å
469S97.2Very high97Very high4 Ų426.5 Ų26.53%0.02813%0.125CC..SBendtrans-94.9-7.2-166.5-71.30000115R391 F466R391-S469 VanDerWaalsContact CB-O 3.29Å; R391-S469 WeakPolarHBondContact CB-O 3.34Å; R391-S469 WeakPolarHBondContact CD-O 3.1Å; R391-S469 VanDerWaalsContact NH1-CB 3.31Å; R391-S469 PolarHBondContact NH1-O 3.43Å; R391-S469 VanDerWaalsContact NH1-O 3.15Å; F466-S469 WeakPolarHBondContact O-CB 3.36Å; F466-S469 PolarHBondContact O-N 3.39Å
470F97.8Very high97Very high1 Ų126.5 Ų26.50%0.00413%0.125CC..  trans-122.1130.1-177-67-91.7000110.6L384 R391 V459 T462 M463 F466 F472 N525 Y528 I539L384-F470 HydrophobicContact CD1-CE1 3.98Å; L384-F470 HydrophobicContact CD2-CE1 3.86Å; L384-F470 HydrophobicContact CD2-CZ 4.21Å; L384-F470 HydrophobicContact CG-CE1 3.92Å; L384-F470 HydrophobicContact CG-CZ 4.37Å; R391-F470 HydrophobicContact CB-CD1 3.84Å; R391-F470 HydrophobicContact CB-CE1 4.1Å; R391-F470 HydrophobicContact CB-CG 4.44Å; R391-F470 HydrophobicContact CG-CD1 3.94Å; R391-F470 HydrophobicContact CG-CE1 3.66Å; R391-F470 HydrophobicContact CG-CZ 4.18Å; R391-F470 WeakPolarHBondContact O-CA 3.42Å; V459-F470 HydrophobicContact CG1-CE1 4.46Å; T462-F470 HydrophobicContact CG2-CE2 3.88Å; T462-F470 HydrophobicContact CG2-CZ 3.67Å; M463-F470 HydrophobicContact CB-CD2 4.26Å; M463-F470 HydrophobicContact CG-CB 4.17Å; M463-F470 HydrophobicContact CG-CD1 4.07Å; M463-F470 HydrophobicContact CG-CD2 3.61Å; M463-F470 HydrophobicContact CG-CE1 4.36Å; M463-F470 HydrophobicContact CG-CE2 3.96Å; M463-F470 HydrophobicContact CG-CG 3.67Å; M463-F470 HydrophobicContact CG-CZ 4.32Å; F466-F470 HydrophobicContact CB-CE2 4.37Å; F470-F472 VanDerWaalsContact C-N 3.27Å; F470-F472 HydrophobicContact CB-CE2 4.49Å; F470-F472 AromaticContact CD1-CE1 3.87Å; F470-F472 HydrophobicContact CD1-CE1 3.87Å; F470-F472 AromaticContact CD1-CE2 3.9Å; F470-F472 HydrophobicContact CD1-CE2 3.9Å; F470-F472 AromaticContact CD1-CZ 3.4Å; F470-F472 HydrophobicContact CD1-CZ 3.4Å; F470-F472 VanDerWaalsContact CD1-CZ 3.4Å; F470-F472 HydrophobicContact CE1-CZ 4.01Å; F470-F472 HydrophobicContact CG-CZ 4.36Å; F470-N525 WeakPolarHBondContact O-CB 3.18Å; F470-N525 PolarHBondContact O-ND2 2.86Å; F470-Y528 WeakPolarHBondContact O-CB 3.45Å; F470-Y528 WeakPolarHBondContact O-CD2 3.44Å; F470-I539 HydrophobicContact CE2-CD1 3.97Å; F470-I539 HydrophobicContact CZ-CD1 3.98Å
471E97.3Very high97Very high48 Ų4826 Ų2622%0.22412%0.123CC..SBendtrans-70.5-28.4176.5-172.7178.6-141.700111.8R391 T392 I393 Q524 N525 Y528R391-E471 PolarHBondContact O-N 2.85Å; T392-E471 WeakPolarHBondContact CA-OE2 3.47Å; T392-E471 VanDerWaalsContact CB-OE2 3.32Å; T392-E471 WeakPolarHBondContact CB-OE2 3.06Å; I393-E471 HydrophobicContact CD1-CG 4.2Å; I393-E471 HydrophobicContact CG1-CB 4.46Å; I393-E471 HydrophobicContact CG1-CG 4.19Å; I393-E471 PolarHBondContact N-OE2 2.61Å; E471-Q524 CarbonylContact O-C 3.43Å; E471-Q524 WeakPolarHBondContact O-CA 3.35Å; E471-N525 WeakPolarHBondContact O-CB 3.29Å; E471-N525 PolarHBondContact O-N 2.79Å; E471-Y528 VanDerWaalsContact CA-CG 3.41Å; E471-Y528 HydrophobicContact CB-CD1 3.67Å; E471-Y528 HydrophobicContact CB-CD2 4.25Å; E471-Y528 HydrophobicContact CB-CE1 3.7Å; E471-Y528 HydrophobicContact CB-CE2 4.28Å; E471-Y528 HydrophobicContact CB-CG 3.95Å; E471-Y528 HydrophobicContact CG-CD1 3.74Å; E471-Y528 HydrophobicContact CG-CE1 3.92Å; E471-Y528 HydrophobicContact CG-CG 4.38Å; E471-Y528 VanDerWaalsContact N-CD2 3.32Å
472F97.8Very high96.9Very high0 Ų027.6 Ų27.60%013%0.131CC..BIsolated β-bridgetrans-93.7153.1-179.955.1-97.4000112.8I393 F396 V459 M463 F470 F476 L477 Y523I393-F472 HydrophobicContact CG1-CB 3.8Å; F396-F472 HydrophobicContact CB-CD1 4.17Å; F396-F472 HydrophobicContact CB-CE1 3.65Å; F396-F472 HydrophobicContact CB-CZ 4.33Å; F396-F472 AromaticContact CD2-CE1 3.66Å; F396-F472 HydrophobicContact CD2-CE1 3.66Å; F396-F472 AromaticContact CD2-CZ 3.5Å; F396-F472 HydrophobicContact CD2-CZ 3.5Å; F396-F472 VanDerWaalsContact CD2-CZ 3.5Å; F396-F472 AromaticContact CE2-CZ 3.92Å; F396-F472 HydrophobicContact CE2-CZ 3.92Å; F396-F472 AromaticContact CG-CE1 3.78Å; F396-F472 HydrophobicContact CG-CE1 3.78Å; F396-F472 AromaticContact CG-CZ 3.95Å; F396-F472 HydrophobicContact CG-CZ 3.95Å; V459-F472 HydrophobicContact CG1-CE2 3.86Å; V459-F472 HydrophobicContact CG1-CZ 3.95Å; M463-F472 HydrophobicContact CE-CD2 4.09Å; M463-F472 HydrophobicContact CE-CE2 4.31Å; M463-F472 WeakPolarHBondContact CE-O 3.46Å; M463-F472 HydrophobicContact CG-CE2 4.4Å; M463-F472 HydrophobicContact SD-CD2 3.89Å; M463-F472 HydrophobicContact SD-CE2 3.53Å; M463-F472 VanDerWaalsContact SD-CE2 3.53Å; F470-F472 VanDerWaalsContact C-N 3.27Å; F470-F472 HydrophobicContact CB-CE2 4.49Å; F470-F472 AromaticContact CD1-CE1 3.87Å; F470-F472 HydrophobicContact CD1-CE1 3.87Å; F470-F472 AromaticContact CD1-CE2 3.9Å; F470-F472 HydrophobicContact CD1-CE2 3.9Å; F470-F472 AromaticContact CD1-CZ 3.4Å; F470-F472 HydrophobicContact CD1-CZ 3.4Å; F470-F472 VanDerWaalsContact CD1-CZ 3.4Å; F470-F472 HydrophobicContact CE1-CZ 4.01Å; F470-F472 HydrophobicContact CG-CZ 4.36Å; F472-F476 HydrophobicContact CB-CB 3.82Å; F472-F476 HydrophobicContact CB-CD1 3.5Å; F472-F476 HydrophobicContact CB-CD2 4.4Å; F472-F476 HydrophobicContact CB-CE1 4.07Å; F472-F476 HydrophobicContact CB-CG 3.68Å; F472-F476 HydrophobicContact CD1-CD1 4.1Å; F472-F476 AromaticContact CD1-CE1 3.92Å; F472-F476 HydrophobicContact CD1-CE1 3.92Å; F472-F476 AromaticContact CD2-CD1 3.51Å; F472-F476 HydrophobicContact CD2-CD1 3.51Å; F472-F476 HydrophobicContact CD2-CE1 4.05Å; F472-F476 HydrophobicContact CD2-CG 4.39Å; F472-F476 HydrophobicContact CE1-CE1 4.35Å; F472-F476 HydrophobicContact CE2-CD1 4.2Å; F472-F476 HydrophobicContact CE2-CE1 4.46Å; F472-F476 AromaticContact CG-CD1 3.43Å; F472-F476 HydrophobicContact CG-CD1 3.43Å; F472-F476 VanDerWaalsContact CG-CD1 3.43Å; F472-F476 AromaticContact CG-CE1 3.75Å; F472-F476 HydrophobicContact CG-CE1 3.75Å; F472-F476 HydrophobicContact CG-CG 4.15Å; F472-L477 HydrophobicContact CD2-CD2 4.17Å; F472-L477 HydrophobicContact CD2-CG 4.39Å; F472-L477 HydrophobicContact CE2-CD2 3.76Å; F472-L477 HydrophobicContact CE2-CG 4.24Å; F472-Y523 CarbonylContact C-O 3.46Å; F472-Y523 WeakPolarHBondContact CA-O 3.4Å
473N95.7Very high96.9Very high4 Ų428.8 Ų28.82%0.02114%0.137CC..  trans-99.7179.8178.364.520.6000112.5R475 F476 L522 Y523 Q524 N525 E572N473-R475 PolarHBondContact O-N 3.26Å; N473-R475 WeakPolarHBondContact OD1-CA 3.39Å; N473-R475 VanDerWaalsContact OD1-CB 3.27Å; N473-R475 WeakPolarHBondContact OD1-CB 3.15Å; N473-R475 PolarHBondContact OD1-N 3.21Å; N473-R475 VanDerWaalsContact OD1-N 3.09Å; N473-F476 WeakPolarHBondContact O-CB 3.24Å; N473-F476 PolarHBondContact O-N 3.12Å; N473-F476 PolarHBondContact OD1-N 3.37Å; N473-L522 PolarHBondContact ND2-O 3.03Å; N473-Y523 PolarHBondContact N-O 3.3Å; N473-Y523 VanDerWaalsContact ND2-C 3.33Å; N473-Y523 PolarHBondContact ND2-O 2.49Å; N473-Y523 PolarHBondContact OD1-O 3.34Å; N473-Q524 PolarHBondContact ND2-O 3.49Å; N473-N525 HydrophobicContact CB-CB 4.43Å; N473-E572 PolarHBondContact ND2-OE2 2.79Å
474E95.5Very high96.9Very high16 Ų1628.4 Ų28.48%0.07514%0.135CC..Hα-helixtrans-62.1-31.5178.9-179.5-177.8-122.500112.4W460 F476 L477 I478 W551 A553 I568W460-E474 PolarHBondContact NE1-OE1 3.19Å; E474-F476 VanDerWaalsContact C-N 3.28Å; E474-F476 PolarHBondContact O-N 2.75Å; E474-L477 PolarHBondContact O-N 2.88Å; E474-I478 HydrophobicContact CG-CD1 3.87Å; E474-I478 HydrophobicContact CG-CG1 4.36Å; E474-I478 WeakPolarHBondContact O-CG1 3.29Å; E474-I478 PolarHBondContact O-N 3.21Å; E474-W551 HydrophobicContact CG-CZ2 4.05Å; E474-W551 PolarHBondContact OE1-NE1 3.28Å; E474-A553 VanDerWaalsContact OE1-CB 3.29Å; E474-A553 WeakPolarHBondContact OE1-CB 3.41Å; E474-A553 WeakPolarHBondContact OE2-CB 3.4Å; E474-I568 WeakPolarHBondContact OE2-CD1 3.44Å
475R93.9Very high96.9Very high98 Ų9825 Ų2537%0.3712%0.119SC..Hα-helixtrans-62.1-35.6178.8178.162.7178.6-179.77.9111.9N473 I478 T479 Y523N473-R475 PolarHBondContact O-N 3.26Å; N473-R475 WeakPolarHBondContact OD1-CA 3.39Å; N473-R475 VanDerWaalsContact OD1-CB 3.27Å; N473-R475 WeakPolarHBondContact OD1-CB 3.15Å; N473-R475 PolarHBondContact OD1-N 3.21Å; N473-R475 VanDerWaalsContact OD1-N 3.09Å; R475-I478 PolarHBondContact O-N 3.12Å; R475-T479 WeakPolarHBondContact O-CB 3.2Å; R475-T479 PolarHBondContact O-N 2.6Å; R475-T479 PolarHBondContact O-OG1 3.3Å; R475-T479 VanDerWaalsContact O-OG1 3.1Å; R475-Y523 HydrophobicContact CG-CD1 4.26Å; R475-Y523 HydrophobicContact CG-CE1 4.14Å
476F97.9Very high97Very high0 Ų023.1 Ų23.10%011%0.111CC..Hα-helixtrans-60.2-51.2175175.4-105.5000111.8I393 F396 E397 F472 N473 E474 I478 T479 I480 I516 Y523I393-F476 HydrophobicContact CG2-CE2 4.08Å; F396-F476 HydrophobicContact CB-CE1 4.11Å; F396-F476 HydrophobicContact CB-CZ 4.25Å; F396-F476 AromaticContact CD1-CE1 3.42Å; F396-F476 HydrophobicContact CD1-CE1 3.42Å; F396-F476 VanDerWaalsContact CD1-CE1 3.42Å; F396-F476 AromaticContact CD1-CZ 3.83Å; F396-F476 HydrophobicContact CD1-CZ 3.83Å; F396-F476 HydrophobicContact CE1-CE1 4.03Å; F396-F476 AromaticContact CG-CE1 3.9Å; F396-F476 HydrophobicContact CG-CE1 3.9Å; F396-F476 HydrophobicContact CG-CZ 4.38Å; E397-F476 HydrophobicContact CG-CZ 4.34Å; F472-F476 HydrophobicContact CB-CB 3.82Å; F472-F476 HydrophobicContact CB-CD1 3.5Å; F472-F476 HydrophobicContact CB-CD2 4.4Å; F472-F476 HydrophobicContact CB-CE1 4.07Å; F472-F476 HydrophobicContact CB-CG 3.68Å; F472-F476 HydrophobicContact CD1-CD1 4.1Å; F472-F476 AromaticContact CD1-CE1 3.92Å; F472-F476 HydrophobicContact CD1-CE1 3.92Å; F472-F476 AromaticContact CD2-CD1 3.51Å; F472-F476 HydrophobicContact CD2-CD1 3.51Å; F472-F476 HydrophobicContact CD2-CE1 4.05Å; F472-F476 HydrophobicContact CD2-CG 4.39Å; F472-F476 HydrophobicContact CE1-CE1 4.35Å; F472-F476 HydrophobicContact CE2-CD1 4.2Å; F472-F476 HydrophobicContact CE2-CE1 4.46Å; F472-F476 AromaticContact CG-CD1 3.43Å; F472-F476 HydrophobicContact CG-CD1 3.43Å; F472-F476 VanDerWaalsContact CG-CD1 3.43Å; F472-F476 AromaticContact CG-CE1 3.75Å; F472-F476 HydrophobicContact CG-CE1 3.75Å; F472-F476 HydrophobicContact CG-CG 4.15Å; N473-F476 WeakPolarHBondContact O-CB 3.24Å; N473-F476 PolarHBondContact O-N 3.12Å; N473-F476 PolarHBondContact OD1-N 3.37Å; E474-F476 VanDerWaalsContact C-N 3.28Å; E474-F476 PolarHBondContact O-N 2.75Å; F476-I478 VanDerWaalsContact C-N 3.34Å; F476-I478 PolarHBondContact O-N 3.35Å; F476-T479 PolarHBondContact O-N 2.91Å; F476-I480 HydrophobicContact CD1-CD1 4Å; F476-I480 HydrophobicContact CE1-CD1 3.58Å; F476-I480 HydrophobicContact CE2-CD1 4.17Å; F476-I480 HydrophobicContact CG-CD1 4.48Å; F476-I480 HydrophobicContact CZ-CD1 3.68Å; F476-I480 WeakPolarHBondContact O-CG1 3.43Å; F476-I480 PolarHBondContact O-N 3.24Å; F476-I516 HydrophobicContact CD2-CD1 4.05Å; F476-I516 HydrophobicContact CD2-CG2 4.01Å; F476-I516 HydrophobicContact CE2-CD1 3.86Å; F476-I516 HydrophobicContact CE2-CG2 3.88Å; F476-Y523 HydrophobicContact CB-CD1 3.89Å; F476-Y523 HydrophobicContact CB-CG 4.32Å; F476-Y523 HydrophobicContact CD2-CD1 4.29Å; F476-Y523 HydrophobicContact CD2-CG 4.21Å
477L98.5Very high97Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-60.5-43.3177.8-62.9-172000112.2F396 I456 V459 W460 M463 F472 E474 I480 M481 W551F396-L477 HydrophobicContact CE1-CD2 4.31Å; F396-L477 HydrophobicContact CZ-CD2 4.13Å; I456-L477 HydrophobicContact CD1-CD2 4.37Å; I456-L477 HydrophobicContact CG2-CB 3.77Å; I456-L477 HydrophobicContact CG2-CD1 4.26Å; I456-L477 HydrophobicContact CG2-CD2 4.21Å; I456-L477 HydrophobicContact CG2-CG 4.31Å; V459-L477 HydrophobicContact CB-CD1 4.32Å; V459-L477 HydrophobicContact CG1-CD1 4.02Å; V459-L477 HydrophobicContact CG1-CD2 3.95Å; W460-L477 HydrophobicContact CB-CD1 3.81Å; M463-L477 HydrophobicContact SD-CD1 3.49Å; M463-L477 WeakPolarHBondContact SD-CD1 3.23Å; M463-L477 HydrophobicContact SD-CG 4.15Å; F472-L477 HydrophobicContact CD2-CD2 4.17Å; F472-L477 HydrophobicContact CD2-CG 4.39Å; F472-L477 HydrophobicContact CE2-CD2 3.76Å; F472-L477 HydrophobicContact CE2-CG 4.24Å; E474-L477 PolarHBondContact O-N 2.88Å; L477-I480 PolarHBondContact O-N 2.86Å; L477-M481 PolarHBondContact O-N 2.91Å; L477-M481 VanDerWaalsContact O-N 3.13Å; L477-W551 HydrophobicContact CB-CH2 3.93Å; L477-W551 HydrophobicContact CB-CZ2 4.25Å; L477-W551 HydrophobicContact CD1-CH2 4.45Å
478I96.6Very high97.1Very high16 Ų1619.4 Ų19.48%0.0829%0.09CC..Hα-helixtrans-61.6-44.9176.4-74.5175.3000111.1E474 R475 F476 I480 M481 D482 W551 Y554E474-I478 HydrophobicContact CG-CD1 3.87Å; E474-I478 HydrophobicContact CG-CG1 4.36Å; E474-I478 WeakPolarHBondContact O-CG1 3.29Å; E474-I478 PolarHBondContact O-N 3.21Å; R475-I478 PolarHBondContact O-N 3.12Å; F476-I478 VanDerWaalsContact C-N 3.34Å; F476-I478 PolarHBondContact O-N 3.35Å; I478-I480 VanDerWaalsContact C-N 3.34Å; I478-I480 PolarHBondContact O-N 2.97Å; I478-M481 PolarHBondContact O-N 3.28Å; I478-D482 WeakPolarHBondContact O-CB 3.36Å; I478-D482 VanDerWaalsContact O-CG 3.24Å; I478-D482 PolarHBondContact O-N 2.87Å; I478-W551 HydrophobicContact CD1-CZ2 4.38Å; I478-W551 HydrophobicContact CG1-CH2 4.35Å; I478-W551 HydrophobicContact CG1-CZ2 3.77Å; I478-Y554 HydrophobicContact CG1-CD2 4.29Å
479T97.1Very high97.3Very high5 Ų515.1 Ų15.13%0.0317%0.07CC..Hα-helixtrans-61.5-42.4178.1-69.70000111.4R475 F476 M481 D482 E483 L512 Y515 I516 Y523R475-T479 WeakPolarHBondContact O-CB 3.2Å; R475-T479 PolarHBondContact O-N 2.6Å; R475-T479 PolarHBondContact O-OG1 3.3Å; R475-T479 VanDerWaalsContact O-OG1 3.1Å; F476-T479 PolarHBondContact O-N 2.91Å; T479-M481 VanDerWaalsContact C-N 3.31Å; T479-M481 PolarHBondContact O-N 2.87Å; T479-D482 PolarHBondContact O-N 3.12Å; T479-E483 HydrophobicContact CG2-CG 4.21Å; T479-E483 WeakPolarHBondContact O-CB 3.48Å; T479-E483 VanDerWaalsContact O-CG 3.27Å; T479-E483 WeakPolarHBondContact O-CG 3.48Å; T479-E483 PolarHBondContact O-N 3.09Å; T479-L512 HydrophobicContact CG2-CD1 4.42Å; T479-Y515 HydrophobicContact CG2-CE1 4.32Å; T479-I516 HydrophobicContact CG2-CD1 4.37Å; T479-I516 HydrophobicContact CG2-CG1 4.32Å; T479-Y523 HydrophobicContact CG2-CE1 4.32Å
480I98.7Very high97.3Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-57.1-47.2175.3-70.5169.6000110.8F396 F452 I456 F476 L477 I478 E483 L484 F492 L512 W513 I516F396-I480 HydrophobicContact CD1-CD1 4.11Å; F396-I480 HydrophobicContact CE1-CD1 3.85Å; F452-I480 HydrophobicContact CE1-CG2 3.65Å; F452-I480 HydrophobicContact CZ-CG2 3.97Å; I456-I480 HydrophobicContact CD1-CG2 4.35Å; F476-I480 HydrophobicContact CD1-CD1 4Å; F476-I480 HydrophobicContact CE1-CD1 3.58Å; F476-I480 HydrophobicContact CE2-CD1 4.17Å; F476-I480 HydrophobicContact CG-CD1 4.48Å; F476-I480 HydrophobicContact CZ-CD1 3.68Å; F476-I480 WeakPolarHBondContact O-CG1 3.43Å; F476-I480 PolarHBondContact O-N 3.24Å; L477-I480 PolarHBondContact O-N 2.86Å; I478-I480 VanDerWaalsContact C-N 3.34Å; I478-I480 PolarHBondContact O-N 2.97Å; I480-E483 PolarHBondContact O-N 3.05Å; I480-L484 WeakPolarHBondContact O-CB 3.48Å; I480-L484 PolarHBondContact O-N 3.19Å; I480-F492 HydrophobicContact CG2-CE2 4.21Å; I480-F492 HydrophobicContact CG2-CZ 4.03Å; I480-L512 HydrophobicContact CB-CD2 4.41Å; I480-L512 HydrophobicContact CG1-CD2 4Å; I480-W513 HydrophobicContact CD1-CZ3 4.23Å; I480-W513 HydrophobicContact CG1-CZ3 4.16Å; I480-I516 HydrophobicContact CG1-CD1 4.23Å
481M98.2Very high97.4Very high0 Ų015.4 Ų15.40%07%0.072CC..Hα-helixtrans-68.4-36.5179.4-71.2-53.4-49.800113.5F452 L453 I456 L477 I478 T479 E483 L484 Y485 Y554F452-M481 HydrophobicContact CD1-SD 3.96Å; F452-M481 HydrophobicContact CE1-SD 4.32Å; L453-M481 HydrophobicContact CB-CE 3.71Å; L453-M481 HydrophobicContact CB-SD 4.42Å; L453-M481 HydrophobicContact CD1-CE 3.96Å; L453-M481 HydrophobicContact CD1-CG 4.47Å; L453-M481 HydrophobicContact CD1-SD 4.35Å; L453-M481 HydrophobicContact CG-CE 4.34Å; I456-M481 HydrophobicContact CB-CG 4.22Å; I456-M481 HydrophobicContact CB-SD 4.03Å; I456-M481 HydrophobicContact CG1-CG 4.23Å; I456-M481 HydrophobicContact CG1-SD 3.67Å; I456-M481 HydrophobicContact CG2-CG 3.91Å; I456-M481 HydrophobicContact CG2-SD 4.38Å; L477-M481 PolarHBondContact O-N 2.91Å; L477-M481 VanDerWaalsContact O-N 3.13Å; I478-M481 PolarHBondContact O-N 3.28Å; T479-M481 VanDerWaalsContact C-N 3.31Å; T479-M481 PolarHBondContact O-N 2.87Å; M481-E483 VanDerWaalsContact C-N 3.35Å; M481-L484 HydrophobicContact CE-CD2 3.53Å; M481-L484 HydrophobicContact SD-CD2 4.17Å; M481-Y485 HydrophobicContact CE-CD2 4.42Å; M481-Y485 HydrophobicContact CE-CE2 3.58Å; M481-Y485 WeakPolarHBondContact O-CD2 3.44Å; M481-Y485 PolarHBondContact O-N 3.23Å; M481-Y554 HydrophobicContact CB-CE2 3.56Å; M481-Y554 HydrophobicContact CG-CE2 4Å
482D96.7Very high97.4Very high35 Ų3513.8 Ų13.819%0.1876%0.064CC..Hα-helixtrans-64.3-44.1176.7-72.5-6.1000110.5I478 T479 Y485 A486 R557I478-D482 WeakPolarHBondContact O-CB 3.36Å; I478-D482 VanDerWaalsContact O-CG 3.24Å; I478-D482 PolarHBondContact O-N 2.87Å; T479-D482 PolarHBondContact O-N 3.12Å; D482-Y485 PolarHBondContact O-N 3.07Å; D482-A486 VanDerWaalsContact O-CB 3.23Å; D482-A486 WeakPolarHBondContact O-CB 3.33Å; D482-A486 PolarHBondContact O-N 3.35Å; D482-R557 IonicContact OD1-CZ 3.39Å; D482-R557 IonicContact OD1-NH1 3.96Å; D482-R557 PolarHBondContact OD1-NH1 3.03Å; D482-R557 IonicContact OD1-NH2 2.91Å; D482-R557 PolarHBondContact OD1-NH2 2.94Å; D482-R557 IonicContact OD2-NH1 2.91Å
483E97.9Very high97.4Very high27 Ų2714 Ų1413%0.1267%0.065CC..Hα-helixtrans-80.1-25.1-175.8-63.3-59.4153.500113.4T479 I480 M481 A487 R488 F489 L512T479-E483 HydrophobicContact CG2-CG 4.21Å; T479-E483 WeakPolarHBondContact O-CB 3.48Å; T479-E483 VanDerWaalsContact O-CG 3.27Å; T479-E483 WeakPolarHBondContact O-CG 3.48Å; T479-E483 PolarHBondContact O-N 3.09Å; I480-E483 PolarHBondContact O-N 3.05Å; M481-E483 VanDerWaalsContact C-N 3.35Å; E483-A487 PolarHBondContact O-N 2.9Å; E483-R488 IonicContact OE1-CZ 3.01Å; E483-R488 IonicContact OE1-NE 3.74Å; E483-R488 IonicContact OE1-NH2 3.55Å; E483-R488 PolarHBondContact OE1-NH2 3.28Å; E483-R488 WeakPolarHBondContact OE2-CB 3.36Å; E483-R488 IonicContact OE2-CZ 2.67Å; E483-R488 IonicContact OE2-NE 2.85Å; E483-R488 PolarHBondContact OE2-NE 2.81Å; E483-R488 IonicContact OE2-NH2 3.6Å; E483-R488 PolarHBondContact OE2-NH2 3.23Å; E483-F489 HydrophobicContact CB-CD2 4.02Å; E483-F489 HydrophobicContact CB-CE2 4.21Å; E483-F489 HydrophobicContact CG-CD2 4.16Å; E483-F489 HydrophobicContact CG-CE2 3.82Å; E483-F489 WeakPolarHBondContact OE2-CD2 3.47Å; E483-F489 WeakPolarHBondContact OE2-CE2 3.48Å; E483-L512 HydrophobicContact CB-CD1 3.75Å; E483-L512 HydrophobicContact CB-CD2 4.19Å; E483-L512 HydrophobicContact CG-CD1 3.72Å
484L98.2Very high97.5Very high8 Ų814.7 Ų14.74%0.0427%0.068CC..Hα-helixtrans-53.1-52.8164.717269.8000111.2F411 T415 F452 I480 M481 F492F411-L484 HydrophobicContact CD1-CD1 3.53Å; F411-L484 HydrophobicContact CE1-CD1 3.93Å; F411-L484 HydrophobicContact CG-CD1 4.49Å; T415-L484 HydrophobicContact CG2-CD1 3.98Å; T415-L484 HydrophobicContact CG2-CD2 4Å; T415-L484 HydrophobicContact CG2-CG 4.03Å; F452-L484 HydrophobicContact CD1-CD2 3.83Å; I480-L484 WeakPolarHBondContact O-CB 3.48Å; I480-L484 PolarHBondContact O-N 3.19Å; M481-L484 HydrophobicContact CE-CD2 3.53Å; M481-L484 HydrophobicContact SD-CD2 4.17Å; L484-F492 HydrophobicContact CB-CD2 4.07Å; L484-F492 HydrophobicContact CB-CE2 4.5Å; L484-F492 HydrophobicContact CD1-CB 3.51Å; L484-F492 HydrophobicContact CD1-CD1 4.34Å; L484-F492 HydrophobicContact CD1-CD2 3.99Å; L484-F492 HydrophobicContact CD1-CG 3.7Å
485Y97.8Very high97.6Very high16 Ų1614.6 Ų14.66%0.0637%0.068CC..Hα-helixtrans-81.5-35.7-176.9-64.9-57.6000112.4G81 T82 K102 D103 T415 M481 D482 A487G81-Y485 CarbonylContact C-O 3.53Å; G81-Y485 VanDerWaalsContact CA-O 3.23Å; G81-Y485 WeakPolarHBondContact CA-O 3.46Å; G81-Y485 VanDerWaalsContact O-O 3.07Å; T82-Y485 PolarHBondContact N-O 3.17Å; K102-Y485 HydrophobicContact CB-CD1 3.58Å; K102-Y485 HydrophobicContact CB-CE1 3.74Å; K102-Y485 HydrophobicContact CB-CG 4.07Å; K102-Y485 HydrophobicContact CD-CD1 3.84Å; K102-Y485 HydrophobicContact CD-CE1 4.37Å; K102-Y485 HydrophobicContact CG-CD1 4.33Å; D103-Y485 HydrophobicContact CB-CD2 4.2Å; T415-Y485 HydrophobicContact CG2-CD1 4.35Å; T415-Y485 HydrophobicContact CG2-CE1 3.91Å; M481-Y485 HydrophobicContact CE-CD2 4.42Å; M481-Y485 HydrophobicContact CE-CE2 3.58Å; M481-Y485 WeakPolarHBondContact O-CD2 3.44Å; M481-Y485 PolarHBondContact O-N 3.23Å; D482-Y485 PolarHBondContact O-N 3.07Å; Y485-A487 PolarHBondContact O-N 2.85Å
486A97.4Very high97.8Very high6 Ų610.1 Ų10.15%0.055%0.052CC..Hα-helixtrans-64.4-27.1177.400000112.4F46 P79 D482 R488F46-A486 HydrophobicContact CZ-CB 4.28Å; P79-A486 HydrophobicContact CB-CB 3.71Å; P79-A486 HydrophobicContact CG-CB 4Å; D482-A486 VanDerWaalsContact O-CB 3.23Å; D482-A486 WeakPolarHBondContact O-CB 3.33Å; D482-A486 PolarHBondContact O-N 3.35Å; A486-R488 PolarHBondContact O-N 2.96Å
487A97Very high97.8Very high8 Ų812.3 Ų12.37%0.0666%0.062CC..THydrogen-bonded Turntrans53.439.6177.900000112.8P418 E483 Y485 L493P418-A487 HydrophobicContact CG-CB 3.58Å; E483-A487 PolarHBondContact O-N 2.9Å; Y485-A487 PolarHBondContact O-N 2.85Å; A487-L493 HydrophobicContact CB-CD2 3.92Å
488R97.2Very high97.7Very high19 Ų1914 Ų147%0.0727%0.071CC..  trans-78.2-28.6176.1177.3169.957.4157.73.3112.6F46 F138 A139 Y142 E483 A486F46-R488 HydrophobicContact CE2-CB 3.91Å; F46-R488 HydrophobicContact CE2-CG 4.45Å; F46-R488 HydrophobicContact CZ-CB 4.06Å; F46-R488 HydrophobicContact CZ-CG 4.45Å; F138-R488 HydrophobicContact CE1-CG 4.25Å; A139-R488 WeakPolarHBondContact CA-O 3.34Å; A139-R488 WeakPolarHBondContact CB-O 3.42Å; Y142-R488 HydrophobicContact CD1-CG 4.1Å; Y142-R488 HydrophobicContact CE1-CG 4.22Å; Y142-R488 HydrophobicContact CG-CG 4.34Å; E483-R488 IonicContact OE1-CZ 3.01Å; E483-R488 IonicContact OE1-NE 3.74Å; E483-R488 IonicContact OE1-NH2 3.55Å; E483-R488 PolarHBondContact OE1-NH2 3.28Å; E483-R488 WeakPolarHBondContact OE2-CB 3.36Å; E483-R488 IonicContact OE2-CZ 2.67Å; E483-R488 IonicContact OE2-NE 2.85Å; E483-R488 PolarHBondContact OE2-NE 2.81Å; E483-R488 IonicContact OE2-NH2 3.6Å; E483-R488 PolarHBondContact OE2-NH2 3.23Å; A486-R488 PolarHBondContact O-N 2.96Å
489F98.5Very high97.7Very high6 Ų616.3 Ų16.33%0.0268%0.081CC..SBendtrans-112.3162.6-175.9-58.8-72.9000111.3Y142 E483 L493 I510 L512 Y515Y142-F489 HydrophobicContact CE1-CD1 4.06Å; Y142-F489 AromaticContact CE1-CE1 3.67Å; Y142-F489 HydrophobicContact CE1-CE1 3.67Å; E483-F489 HydrophobicContact CB-CD2 4.02Å; E483-F489 HydrophobicContact CB-CE2 4.21Å; E483-F489 HydrophobicContact CG-CD2 4.16Å; E483-F489 HydrophobicContact CG-CE2 3.82Å; E483-F489 WeakPolarHBondContact OE2-CD2 3.47Å; E483-F489 WeakPolarHBondContact OE2-CE2 3.48Å; F489-L493 WeakPolarHBondContact O-CG 3.48Å; F489-I510 VanDerWaalsContact CA-O 3.32Å; F489-I510 WeakPolarHBondContact CA-O 3.35Å; F489-I510 VanDerWaalsContact CB-O 3.27Å; F489-I510 WeakPolarHBondContact CB-O 3.36Å; F489-I510 HydrophobicContact CD1-CB 4.15Å; F489-I510 HydrophobicContact CD1-CG2 3.95Å; F489-I510 WeakPolarHBondContact CD1-O 3.38Å; F489-I510 HydrophobicContact CE1-CG2 4.09Å; F489-L512 HydrophobicContact CB-CB 4.26Å; F489-L512 HydrophobicContact CD2-CB 4.06Å; F489-L512 HydrophobicContact CD2-CD1 3.65Å; F489-L512 HydrophobicContact CD2-CG 4.46Å; F489-L512 HydrophobicContact CE2-CD1 3.55Å; F489-L512 HydrophobicContact CG-CB 4.21Å; F489-L512 HydrophobicContact CZ-CD1 4.4Å; F489-Y515 HydrophobicContact CE1-CG 4.23Å; F489-Y515 HydrophobicContact CE2-CD1 4.19Å; F489-Y515 HydrophobicContact CE2-CG 4.22Å; F489-Y515 AromaticContact CZ-CD1 3.9Å; F489-Y515 HydrophobicContact CZ-CD1 3.9Å; F489-Y515 HydrophobicContact CZ-CD2 4.01Å; F489-Y515 AromaticContact CZ-CG 3.47Å; F489-Y515 HydrophobicContact CZ-CG 3.47Å; F489-Y515 VanDerWaalsContact CZ-CG 3.47Å
490G98Very high97.6Very high2 Ų216.3 Ų16.32%0.0218%0.082CC..SBendtrans-71-26.2179.700000115.6F492 L493 T509 I510G490-F492 VanDerWaalsContact C-N 3.3Å; G490-F492 PolarHBondContact O-N 2.78Å; G490-F492 VanDerWaalsContact O-N 3.11Å; G490-L493 PolarHBondContact O-N 3.09Å; G490-L493 VanDerWaalsContact O-N 3.17Å; G490-T509 WeakPolarHBondContact CA-OG1 3.28Å; G490-I510 PolarHBondContact N-O 2.87Å
491T98.7Very high97.5Very high10 Ų1021.8 Ų21.86%0.06110%0.103CC..THydrogen-bonded Turntrans-50.4-42.5-165.3-57.90000114.4E401 C405 S511 L512 W513E401-T491 WeakPolarHBondContact OE1-CG2 3.24Å; C405-T491 PolarHBondContact SG-O 3.27Å; T491-S511 WeakPolarHBondContact OG1-CA 3.11Å; T491-L512 PolarHBondContact OG1-N 3.22Å; T491-W513 HydrophobicContact CG2-CH2 4.42Å; T491-W513 HydrophobicContact CG2-CZ2 3.6Å
492F98.6Very high97.2Very high14 Ų1426 Ų266%0.06113%0.125CC..THydrogen-bonded Turntrans-113.118.9-173.5-52.8-59000113.8V400 F411 F452 I480 L484 G490 L512 W513V400-F492 HydrophobicContact CG1-CE1 3.59Å; V400-F492 HydrophobicContact CG1-CZ 4Å; F411-F492 HydrophobicContact CB-CB 4.37Å; F411-F492 VanDerWaalsContact CB-O 3.28Å; F411-F492 WeakPolarHBondContact CB-O 3.44Å; F411-F492 HydrophobicContact CD1-CB 4.16Å; F411-F492 HydrophobicContact CD1-CD1 4.03Å; F411-F492 HydrophobicContact CD1-CG 4.4Å; F411-F492 HydrophobicContact CD2-CD1 4.13Å; F411-F492 AromaticContact CE1-CD1 3.63Å; F411-F492 HydrophobicContact CE1-CD1 3.63Å; F411-F492 HydrophobicContact CE1-CE1 4.14Å; F411-F492 HydrophobicContact CE1-CG 4.33Å; F411-F492 AromaticContact CE2-CD1 3.75Å; F411-F492 HydrophobicContact CE2-CD1 3.75Å; F411-F492 HydrophobicContact CE2-CE1 4.32Å; F411-F492 HydrophobicContact CG-CB 4.14Å; F411-F492 HydrophobicContact CG-CD1 4.25Å; F411-F492 AromaticContact CZ-CD1 3.48Å; F411-F492 HydrophobicContact CZ-CD1 3.48Å; F411-F492 VanDerWaalsContact CZ-CD1 3.48Å; F411-F492 AromaticContact CZ-CE1 3.79Å; F411-F492 HydrophobicContact CZ-CE1 3.79Å; F452-F492 HydrophobicContact CE1-CE1 4.27Å; F452-F492 HydrophobicContact CE1-CZ 4.22Å; F452-F492 HydrophobicContact CZ-CE1 4.15Å; F452-F492 HydrophobicContact CZ-CZ 4.26Å; I480-F492 HydrophobicContact CG2-CE2 4.21Å; I480-F492 HydrophobicContact CG2-CZ 4.03Å; L484-F492 HydrophobicContact CB-CD2 4.07Å; L484-F492 HydrophobicContact CB-CE2 4.5Å; L484-F492 HydrophobicContact CD1-CB 3.51Å; L484-F492 HydrophobicContact CD1-CD1 4.34Å; L484-F492 HydrophobicContact CD1-CD2 3.99Å; L484-F492 HydrophobicContact CD1-CG 3.7Å; G490-F492 VanDerWaalsContact C-N 3.3Å; G490-F492 PolarHBondContact O-N 2.78Å; G490-F492 VanDerWaalsContact O-N 3.11Å; F492-L512 HydrophobicContact CE2-CD2 3.73Å; F492-L512 HydrophobicContact CZ-CD2 4.33Å; F492-W513 AromaticContact CZ-CH2 4Å; F492-W513 HydrophobicContact CZ-CH2 4Å; F492-W513 HydrophobicContact CZ-CZ2 4.27Å
493L97.4Very high97.1Very high4 Ų425.8 Ų25.82%0.02112%0.123CC..SBendtrans-77.6-22.6-173.5-67.5-175.6000113.9L137 A139 Y140 P418 T419 A487 F489 G490 V505L137-L493 HydrophobicContact CD2-CD1 3.69Å; L137-L493 HydrophobicContact CD2-CD2 3.99Å; L137-L493 HydrophobicContact CD2-CG 4.43Å; A139-L493 HydrophobicContact CB-CD1 3.8Å; Y140-L493 HydrophobicContact CE2-CD1 4.28Å; P418-L493 HydrophobicContact CG-CD2 4.39Å; T419-L493 VanDerWaalsContact CB-O 3.29Å; T419-L493 WeakPolarHBondContact CB-O 3.43Å; T419-L493 HydrophobicContact CG2-CB 4.04Å; T419-L493 HydrophobicContact CG2-CD2 4.43Å; T419-L493 WeakPolarHBondContact CG2-O 3.43Å; T419-L493 PolarHBondContact OG1-O 3.22Å; A487-L493 HydrophobicContact CB-CD2 3.92Å; F489-L493 WeakPolarHBondContact O-CG 3.48Å; G490-L493 PolarHBondContact O-N 3.09Å; G490-L493 VanDerWaalsContact O-N 3.17Å; L493-V505 HydrophobicContact CD1-CG2 4.44Å
494F97.5Very high97Very high19 Ų1925.1 Ų25.18%0.08312%0.124CC..  trans-123.4166.5-168.5-63.8-78.6000112.6Y140 T419 I423 Q499 H503 V505Y140-F494 WeakPolarHBondContact OH-CZ 3.28Å; T419-F494 HydrophobicContact CG2-CE1 4.32Å; T419-F494 HydrophobicContact CG2-CZ 4.47Å; I423-F494 HydrophobicContact CD1-CE1 4.16Å; I423-F494 HydrophobicContact CD1-CZ 4.02Å; I423-F494 HydrophobicContact CG2-CE1 4.25Å; F494-Q499 HydrophobicContact CB-CB 3.9Å; F494-Q499 HydrophobicContact CD1-CB 4.04Å; F494-Q499 HydrophobicContact CG-CB 4.25Å; F494-H503 HydrophobicContact CE1-CB 3.86Å; F494-H503 AromaticContact CE1-CG 3.71Å; F494-H503 AromaticContact CE1-ND1 3.48Å; F494-H503 WeakPolarHBondContact CE1-ND1 3.37Å; F494-H503 HydrophobicContact CE2-CB 4.35Å; F494-H503 HydrophobicContact CZ-CB 3.56Å; F494-H503 AromaticContact CZ-CG 3.94Å; F494-V505 HydrophobicContact CD2-CB 4.14Å; F494-V505 HydrophobicContact CD2-CG2 4.06Å; F494-V505 HydrophobicContact CE2-CB 3.71Å; F494-V505 HydrophobicContact CE2-CG2 3.64Å
495N97.6Very high96.9Very high13 Ų1325.2 Ų25.27%0.0712%0.124CC..SBendtrans-91.5-8.1179.6-57.5-62.8000113.7G408 K410 A412 Q413 Q499G408-N495 CarbonylContact C-O 3.55Å; G408-N495 VanDerWaalsContact C-O 3.25Å; G408-N495 VanDerWaalsContact CA-O 3.23Å; G408-N495 WeakPolarHBondContact CA-O 3.46Å; K410-N495 VanDerWaalsContact CA-OD1 3.23Å; K410-N495 WeakPolarHBondContact CA-OD1 3.46Å; K410-N495 HydrophobicContact CB-CB 4.1Å; K410-N495 WeakPolarHBondContact CB-OD1 3.47Å; K410-N495 HydrophobicContact CG-CB 4.09Å; K410-N495 PolarHBondContact O-OD1 3.28Å; A412-N495 WeakPolarHBondContact CB-OD1 3.37Å; A412-N495 PolarHBondContact N-OD1 3.34Å; Q413-N495 PolarHBondContact N-OD1 3.33Å; N495-Q499 VanDerWaalsContact CB-OE1 3.32Å; N495-Q499 VanDerWaalsContact N-OE1 3.11Å; N495-Q499 PolarHBondContact ND2-OE1 3.06Å
496S97.8Very high96.8Very high5 Ų529.7 Ų29.74%0.03514%0.141CC..SBendtrans-159.3162.6174.767.20000111.7D189 M498 Q499 G500D189-S496 PolarHBondContact O-OG 2.77Å; S496-M498 VanDerWaalsContact C-N 3.29Å; S496-M498 PolarHBondContact O-N 2.64Å; S496-Q499 PolarHBondContact O-N 2.81Å; S496-Q499 PolarHBondContact OG-N 2.75Å; S496-G500 PolarHBondContact O-N 3.07Å
497E98.3Very high96.7Very high46 Ų4635.6 Ų35.622%0.21517%0.168CC..Hα-helixtrans-52.9-46.3171.6-163.4177.9105.500111.9Y185 A193 S406 Q499 G500 R501Y185-E497 HydrophobicContact CE1-CB 4.06Å; Y185-E497 HydrophobicContact CE1-CG 4.34Å; Y185-E497 WeakPolarHBondContact OH-CG 3.24Å; Y185-E497 PolarHBondContact OH-OE1 3.46Å; A193-E497 WeakPolarHBondContact CB-OE1 3.47Å; A193-E497 PolarHBondContact N-OE1 2.94Å; S406-E497 WeakPolarHBondContact CB-OE2 3.46Å; S406-E497 PolarHBondContact OG-OE2 2.93Å; E497-Q499 PolarHBondContact O-N 3.06Å; E497-G500 WeakPolarHBondContact O-CA 3.36Å; E497-G500 PolarHBondContact O-N 3.11Å; E497-G500 VanDerWaalsContact O-N 3.11Å; E497-R501 PolarHBondContact O-N 2.87Å
498M97.5Very high96.7Very high35 Ų3537.8 Ų37.817%0.17217%0.174CC..Hα-helixtrans-55.3-49.9176.9-172.8-172.475.700111.6Y185 D189 S496 G500 R501 D502Y185-M498 WeakPolarHBondContact CB-SD 3.29Å; Y185-M498 HydrophobicContact CD1-CB 3.62Å; Y185-M498 HydrophobicContact CD1-CG 4.19Å; Y185-M498 HydrophobicContact CD2-CB 3.79Å; Y185-M498 HydrophobicContact CD2-CG 3.54Å; Y185-M498 HydrophobicContact CD2-SD 4.34Å; Y185-M498 HydrophobicContact CE1-CB 3.86Å; Y185-M498 HydrophobicContact CE2-CB 4.05Å; Y185-M498 HydrophobicContact CE2-CG 4.11Å; Y185-M498 HydrophobicContact CG-CB 3.56Å; Y185-M498 HydrophobicContact CG-CG 3.58Å; Y185-M498 HydrophobicContact CG-SD 4Å; D189-M498 HydrophobicContact CB-CE 3.79Å; D189-M498 HydrophobicContact CB-SD 3.76Å; S496-M498 VanDerWaalsContact C-N 3.29Å; S496-M498 PolarHBondContact O-N 2.64Å; M498-G500 VanDerWaalsContact C-N 3.28Å; M498-G500 PolarHBondContact O-N 3.21Å; M498-R501 WeakPolarHBondContact O-CB 3.39Å; M498-R501 PolarHBondContact O-N 3.34Å; M498-D502 WeakPolarHBondContact O-CB 3.32Å; M498-D502 PolarHBondContact O-N 3.22Å
499Q95.4Very high96.7Very high65 Ų6537 Ų3730%0.30417%0.171SC..Hα-helixtrans-61.5-38.9178.6-72.2-178.15.600111.5F494 N495 S496 E497 H503F494-Q499 HydrophobicContact CB-CB 3.9Å; F494-Q499 HydrophobicContact CD1-CB 4.04Å; F494-Q499 HydrophobicContact CG-CB 4.25Å; N495-Q499 VanDerWaalsContact CB-OE1 3.32Å; N495-Q499 VanDerWaalsContact N-OE1 3.11Å; N495-Q499 PolarHBondContact ND2-OE1 3.06Å; S496-Q499 PolarHBondContact O-N 2.81Å; S496-Q499 PolarHBondContact OG-N 2.75Å; E497-Q499 PolarHBondContact O-N 3.06Å; Q499-H503 PolarHBondContact O-N 2.97Å; Q499-H503 PolarHBondContact O-ND1 3.02Å
500G96Very high96.7Very high4 Ų437.4 Ų37.44%0.04117%0.174CC..Hα-helixtrans-62.3-46.6174.100000112.6S496 E497 M498 H503 G504 V505S496-G500 PolarHBondContact O-N 3.07Å; E497-G500 WeakPolarHBondContact O-CA 3.36Å; E497-G500 PolarHBondContact O-N 3.11Å; E497-G500 VanDerWaalsContact O-N 3.11Å; M498-G500 VanDerWaalsContact C-N 3.28Å; M498-G500 PolarHBondContact O-N 3.21Å; G500-H503 CarbonylContact O-C 3.54Å; G500-H503 PolarHBondContact O-N 3.24Å; G500-G504 PolarHBondContact O-N 2.8Å; G500-V505 WeakPolarHBondContact O-CB 3.49Å; G500-V505 WeakPolarHBondContact O-CG1 3.32Å; G500-V505 PolarHBondContact O-N 3.03Å
501R95.3Very high96.7Very high116 Ų11637.3 Ų37.344%0.43817%0.173SC..Hα-helixtrans-58.9-50.7176.8-177.4-159.666.6179.5-1.8111.4Y185 E497 M498 H503 G504Y185-R501 VanDerWaalsContact CD2-CZ 3.49Å; Y185-R501 VanDerWaalsContact CD2-NH1 3.3Å; E497-R501 PolarHBondContact O-N 2.87Å; M498-R501 WeakPolarHBondContact O-CB 3.39Å; M498-R501 PolarHBondContact O-N 3.34Å; R501-H503 PolarHBondContact O-N 3.38Å; R501-H503 VanDerWaalsContact O-N 3.12Å; R501-G504 PolarHBondContact O-N 3.36Å
502D93.4Very high96.7Very high87 Ų8736.8 Ų36.847%0.46517%0.17SC..Hα-helixtrans-63.2-23-175.2-66.9-7000112.3M498M498-D502 WeakPolarHBondContact O-CB 3.32Å; M498-D502 PolarHBondContact O-N 3.22Å
503H93.8Very high96.7Very high31 Ų3136.1 Ų36.114%0.14417%0.167CC..THydrogen-bonded Turntrans-102.110.9175.4-62.498.7000113.8Y140 I423 T437 F494 Q499 G500 R501 V505Y140-H503 PolarHBondContact OH-O 3.48Å; I423-H503 HydrophobicContact CD1-CB 3.67Å; I423-H503 WeakPolarHBondContact CD1-CD2 3.4Å; I423-H503 VanDerWaalsContact CD1-CG 3.47Å; I423-H503 VanDerWaalsContact CG1-CD2 3.43Å; I423-H503 WeakPolarHBondContact CG1-CD2 3.44Å; T437-H503 PolarHBondContact OG1-NE2 3.26Å; F494-H503 HydrophobicContact CE1-CB 3.86Å; F494-H503 AromaticContact CE1-CG 3.71Å; F494-H503 AromaticContact CE1-ND1 3.48Å; F494-H503 WeakPolarHBondContact CE1-ND1 3.37Å; F494-H503 HydrophobicContact CE2-CB 4.35Å; F494-H503 HydrophobicContact CZ-CB 3.56Å; F494-H503 AromaticContact CZ-CG 3.94Å; Q499-H503 PolarHBondContact O-N 2.97Å; Q499-H503 PolarHBondContact O-ND1 3.02Å; G500-H503 CarbonylContact O-C 3.54Å; G500-H503 PolarHBondContact O-N 3.24Å; R501-H503 PolarHBondContact O-N 3.38Å; R501-H503 VanDerWaalsContact O-N 3.12Å; H503-V505 VanDerWaalsContact C-N 3.29Å; H503-V505 PolarHBondContact O-N 2.79Å
504G95.2Very high96.8Very high14 Ų1436.2 Ų36.214%0.14417%0.168CC..THydrogen-bonded Turntrans5640177.600000113.3G500 R501 R506 E507 R508G500-G504 PolarHBondContact O-N 2.8Å; R501-G504 PolarHBondContact O-N 3.36Å; G504-R506 VanDerWaalsContact C-N 3.3Å; G504-R506 PolarHBondContact O-N 3.5Å; G504-E507 WeakPolarHBondContact CA-OE2 3.33Å; G504-E507 PolarHBondContact O-N 3.4Å; G504-R508 VanDerWaalsContact O-CB 3.24Å; G504-R508 WeakPolarHBondContact O-CB 3.26Å; G504-R508 VanDerWaalsContact O-CG 3.28Å; G504-R508 WeakPolarHBondContact O-CG 3.18Å; G504-R508 PolarHBondContact O-N 3.46Å
505V96.1Very high96.8Very high10 Ų1038.9 Ų38.96%0.06118%0.178CC..Hα-helixtrans-62.2-38.8-172.672.70000111.8W157 L493 F494 G500 H503 T509W157-V505 HydrophobicContact CH2-CG1 4.31Å; W157-V505 HydrophobicContact CH2-CG2 4.18Å; W157-V505 HydrophobicContact CZ2-CG2 4.18Å; L493-V505 HydrophobicContact CD1-CG2 4.44Å; F494-V505 HydrophobicContact CD2-CB 4.14Å; F494-V505 HydrophobicContact CD2-CG2 4.06Å; F494-V505 HydrophobicContact CE2-CB 3.71Å; F494-V505 HydrophobicContact CE2-CG2 3.64Å; G500-V505 WeakPolarHBondContact O-CB 3.49Å; G500-V505 WeakPolarHBondContact O-CG1 3.32Å; G500-V505 PolarHBondContact O-N 3.03Å; H503-V505 VanDerWaalsContact C-N 3.29Å; H503-V505 PolarHBondContact O-N 2.79Å; V505-T509 HydrophobicContact CG2-CG2 4.18Å; V505-T509 WeakPolarHBondContact CG2-OG1 3.41Å; V505-T509 WeakPolarHBondContact O-CB 3.37Å; V505-T509 PolarHBondContact O-N 2.86Å; V505-T509 VanDerWaalsContact O-N 3.09Å; V505-T509 PolarHBondContact O-OG1 2.81Å
506R96.6Very high96.7Very high110 Ų11038.3 Ų38.342%0.41518%0.175SC..Hα-helixtrans-71.6-37.6-177.3-61.5-175.284175.85.8111.4W157 G504W157-R506 VanDerWaalsContact CD1-O 3.25Å; W157-R506 HydrophobicContact CD2-CB 4.11Å; W157-R506 HydrophobicContact CD2-CG 3.8Å; W157-R506 HydrophobicContact CE3-CG 3.88Å; W157-R506 HydrophobicContact CG-CB 4.1Å; W157-R506 HydrophobicContact CG-CG 4.19Å; W157-R506 HydrophobicContact CZ3-CG 4.26Å; W157-R506 PolarHBondContact NE1-O 3.23Å; W157-R506 VanDerWaalsContact NE1-O 3.17Å; W157-R506 PolarHBondContact O-NH2 3.46Å; G504-R506 VanDerWaalsContact C-N 3.3Å; G504-R506 PolarHBondContact O-N 3.5Å
507E95.6Very high96.7Very high130 Ų13040.8 Ų40.861%0.60719%0.188SC*.Hα-helixtrans-81.5-24.1-175.8-56.674.7-164.100112.8G504G504-E507 WeakPolarHBondContact CA-OE2 3.33Å; G504-E507 PolarHBondContact O-N 3.4Å
508R96.1Very high96.6Very high54 Ų5442 Ų4220%0.20421%0.205CC..Hα-helixtrans-117.6-5.8-169.4-56.8175.762.8178.22.9114.4Y140 P426 G504Y140-R508 HydrophobicContact CD1-CB 3.61Å; Y140-R508 HydrophobicContact CE1-CB 3.69Å; Y140-R508 HydrophobicContact CE1-CG 4.5Å; P426-R508 PolarHBondContact O-NH2 3.01Å; G504-R508 VanDerWaalsContact O-CB 3.24Å; G504-R508 WeakPolarHBondContact O-CB 3.26Å; G504-R508 VanDerWaalsContact O-CG 3.28Å; G504-R508 WeakPolarHBondContact O-CG 3.18Å; G504-R508 PolarHBondContact O-N 3.46Å
509T97.5Very high96.4Very high1 Ų144 Ų441%0.00622%0.217CC..SBendtrans-132.3161.9179.878.20000111.1Y140 W157 G490 V505Y140-T509 HydrophobicContact CD1-CG2 3.73Å; Y140-T509 HydrophobicContact CD2-CG2 3.95Å; Y140-T509 HydrophobicContact CE1-CG2 3.75Å; Y140-T509 HydrophobicContact CE2-CG2 3.96Å; Y140-T509 HydrophobicContact CG-CG2 3.85Å; W157-T509 WeakPolarHBondContact CZ2-OG1 3.23Å; W157-T509 PolarHBondContact NE1-O 2.89Å; G490-T509 WeakPolarHBondContact CA-OG1 3.28Å; V505-T509 HydrophobicContact CG2-CG2 4.18Å; V505-T509 WeakPolarHBondContact CG2-OG1 3.41Å; V505-T509 WeakPolarHBondContact O-CB 3.37Å; V505-T509 PolarHBondContact O-N 2.86Å; V505-T509 VanDerWaalsContact O-N 3.09Å; V505-T509 PolarHBondContact O-OG1 2.81Å
510I98.2Very high96.4Very high15 Ų1543.7 Ų43.78%0.07722%0.217CC..  trans-90.1137.4170.7-60.9-57.2000108.8Y142 C146 I147 F152 F489 G490 A514Y142-I510 HydrophobicContact CE1-CB 4.19Å; Y142-I510 HydrophobicContact CE1-CG1 4.28Å; C146-I510 HydrophobicContact CB-CD1 3.92Å; C146-I510 HydrophobicContact CB-CG1 3.6Å; I147-I510 HydrophobicContact CG1-CD1 3.87Å; F152-I510 HydrophobicContact CD2-CD1 4.11Å; F152-I510 HydrophobicContact CD2-CG1 4.13Å; F152-I510 HydrophobicContact CD2-CG2 3.76Å; F152-I510 HydrophobicContact CE2-CB 4.43Å; F152-I510 HydrophobicContact CE2-CG1 4.13Å; F152-I510 HydrophobicContact CE2-CG2 3.66Å; F152-I510 HydrophobicContact CZ-CG2 4.45Å; F489-I510 VanDerWaalsContact CA-O 3.32Å; F489-I510 WeakPolarHBondContact CA-O 3.35Å; F489-I510 VanDerWaalsContact CB-O 3.27Å; F489-I510 WeakPolarHBondContact CB-O 3.36Å; F489-I510 HydrophobicContact CD1-CB 4.15Å; F489-I510 HydrophobicContact CD1-CG2 3.95Å; F489-I510 WeakPolarHBondContact CD1-O 3.38Å; F489-I510 HydrophobicContact CE1-CG2 4.09Å; G490-I510 PolarHBondContact N-O 2.87Å; I510-A514 HydrophobicContact CG2-CB 3.75Å
511S98.4Very high96.2Very high0 Ų050 Ų500%025%0.245CC..  trans-73.9152.5168.159.20000111.6G156 W157 T491 W513 A514G156-S511 WeakPolarHBondContact CA-OG 3.44Å; G156-S511 PolarHBondContact O-OG 2.87Å; W157-S511 PolarHBondContact N-OG 3.14Å; T491-S511 WeakPolarHBondContact OG1-CA 3.11Å; S511-W513 PolarHBondContact O-N 2.97Å; S511-A514 PolarHBondContact O-N 3.47Å; S511-A514 PolarHBondContact OG-N 3.31Å
512L98.7Very high95.9Very high0 Ų046.7 Ų46.70%024%0.236CC..Hα-helixtrans-56.8-32.9173.117459.3000111.8T479 I480 E483 F489 T491 F492 A514 Y515 I516T479-L512 HydrophobicContact CG2-CD1 4.42Å; I480-L512 HydrophobicContact CB-CD2 4.41Å; I480-L512 HydrophobicContact CG1-CD2 4Å; E483-L512 HydrophobicContact CB-CD1 3.75Å; E483-L512 HydrophobicContact CB-CD2 4.19Å; E483-L512 HydrophobicContact CG-CD1 3.72Å; F489-L512 HydrophobicContact CB-CB 4.26Å; F489-L512 HydrophobicContact CD2-CB 4.06Å; F489-L512 HydrophobicContact CD2-CD1 3.65Å; F489-L512 HydrophobicContact CD2-CG 4.46Å; F489-L512 HydrophobicContact CE2-CD1 3.55Å; F489-L512 HydrophobicContact CG-CB 4.21Å; F489-L512 HydrophobicContact CZ-CD1 4.4Å; T491-L512 PolarHBondContact OG1-N 3.22Å; F492-L512 HydrophobicContact CE2-CD2 3.73Å; F492-L512 HydrophobicContact CZ-CD2 4.33Å; L512-A514 VanDerWaalsContact C-N 3.35Å; L512-A514 PolarHBondContact O-N 3.2Å; L512-Y515 HydrophobicContact CD1-CD1 4.22Å; L512-Y515 WeakPolarHBondContact O-CB 3.36Å; L512-Y515 PolarHBondContact O-N 3.25Å; L512-Y515 VanDerWaalsContact O-N 3.09Å; L512-I516 HydrophobicContact CD1-CD1 4.09Å; L512-I516 HydrophobicContact CD1-CG1 4.1Å; L512-I516 HydrophobicContact CD2-CD1 4.13Å; L512-I516 HydrophobicContact CG-CD1 3.81Å; L512-I516 HydrophobicContact CG-CG1 4.22Å; L512-I516 PolarHBondContact O-N 2.77Å
513W98.7Very high96Very high0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-66.6-35.1-175.9-39.9130.2000112.4V159 E397 V400 E401 I480 T491 F492 S511 Y515 I516 N517V159-W513 HydrophobicContact CG1-CB 4.32Å; V159-W513 HydrophobicContact CG1-CG 3.92Å; E397-W513 HydrophobicContact CB-CD2 3.99Å; E397-W513 HydrophobicContact CB-CE3 4.12Å; E397-W513 HydrophobicContact CB-CG 4.35Å; E397-W513 HydrophobicContact CG-CD2 3.84Å; E397-W513 HydrophobicContact CG-CE3 3.49Å; E397-W513 VanDerWaalsContact CG-CE3 3.49Å; E397-W513 HydrophobicContact CG-CG 4.36Å; E397-W513 HydrophobicContact CG-CZ3 3.92Å; V400-W513 HydrophobicContact CB-CH2 4.23Å; V400-W513 HydrophobicContact CB-CZ2 4.16Å; V400-W513 HydrophobicContact CG1-CH2 4.04Å; V400-W513 HydrophobicContact CG1-CZ2 3.91Å; E401-W513 HydrophobicContact CG-CZ2 4.37Å; E401-W513 VanDerWaalsContact CG-NE1 3.32Å; E401-W513 PolarHBondContact OE1-NE1 3.18Å; I480-W513 HydrophobicContact CD1-CZ3 4.23Å; I480-W513 HydrophobicContact CG1-CZ3 4.16Å; T491-W513 HydrophobicContact CG2-CH2 4.42Å; T491-W513 HydrophobicContact CG2-CZ2 3.6Å; F492-W513 AromaticContact CZ-CH2 4Å; F492-W513 HydrophobicContact CZ-CH2 4Å; F492-W513 HydrophobicContact CZ-CZ2 4.27Å; S511-W513 PolarHBondContact O-N 2.97Å; W513-Y515 PolarHBondContact O-N 3.11Å; W513-I516 HydrophobicContact CE3-CD1 4.06Å; W513-I516 HydrophobicContact CZ3-CD1 4.07Å; W513-I516 PolarHBondContact O-N 3.21Å; W513-N517 WeakPolarHBondContact O-CB 3.34Å; W513-N517 VanDerWaalsContact O-CG 3.32Å; W513-N517 PolarHBondContact O-N 3.01Å; W513-N517 PolarHBondContact O-ND2 2.93Å; W513-N517 VanDerWaalsContact O-ND2 3.12Å
514A98.2Very high96Very high6 Ų644.4 Ų44.45%0.0522%0.222CC..Hα-helixtrans-59.7-37.8173.800000111.2F152 I510 S511 L512 A518F152-A514 HydrophobicContact CB-CB 4.18Å; F152-A514 HydrophobicContact CD1-CB 4.38Å; F152-A514 WeakPolarHBondContact CD1-O 3.4Å; F152-A514 HydrophobicContact CD2-CB 4.42Å; F152-A514 HydrophobicContact CG-CB 4.06Å; I510-A514 HydrophobicContact CG2-CB 3.75Å; S511-A514 PolarHBondContact O-N 3.47Å; S511-A514 PolarHBondContact OG-N 3.31Å; L512-A514 VanDerWaalsContact C-N 3.35Å; L512-A514 PolarHBondContact O-N 3.2Å; A514-A518 VanDerWaalsContact O-CB 3.31Å; A514-A518 WeakPolarHBondContact O-CB 3.5Å; A514-A518 PolarHBondContact O-N 3.5Å
515Y97.5Very high96Very high75 Ų7544.9 Ų44.929%0.29422%0.221SC..Hα-helixtrans-73.1-44.1178.1173.3-100.6000113F152 T479 F489 L512 W513F152-Y515 HydrophobicContact CE1-CD2 4.11Å; F152-Y515 HydrophobicContact CZ-CD2 4.16Å; T479-Y515 HydrophobicContact CG2-CE1 4.32Å; F489-Y515 HydrophobicContact CE1-CG 4.23Å; F489-Y515 HydrophobicContact CE2-CD1 4.19Å; F489-Y515 HydrophobicContact CE2-CG 4.22Å; F489-Y515 AromaticContact CZ-CD1 3.9Å; F489-Y515 HydrophobicContact CZ-CD1 3.9Å; F489-Y515 HydrophobicContact CZ-CD2 4.01Å; F489-Y515 AromaticContact CZ-CG 3.47Å; F489-Y515 HydrophobicContact CZ-CG 3.47Å; F489-Y515 VanDerWaalsContact CZ-CG 3.47Å; L512-Y515 HydrophobicContact CD1-CD1 4.22Å; L512-Y515 WeakPolarHBondContact O-CB 3.36Å; L512-Y515 PolarHBondContact O-N 3.25Å; L512-Y515 VanDerWaalsContact O-N 3.09Å; W513-Y515 PolarHBondContact O-N 3.11Å
516I97.3Very high95.7Very high0 Ų045.2 Ų45.20%022%0.224CC..Hα-helixtrans-64.9-49.1177.6-71.6-179.6000110.5F476 T479 I480 L512 W513 A518 D519 I520 Y523F476-I516 HydrophobicContact CD2-CD1 4.05Å; F476-I516 HydrophobicContact CD2-CG2 4.01Å; F476-I516 HydrophobicContact CE2-CD1 3.86Å; F476-I516 HydrophobicContact CE2-CG2 3.88Å; T479-I516 HydrophobicContact CG2-CD1 4.37Å; T479-I516 HydrophobicContact CG2-CG1 4.32Å; I480-I516 HydrophobicContact CG1-CD1 4.23Å; L512-I516 HydrophobicContact CD1-CD1 4.09Å; L512-I516 HydrophobicContact CD1-CG1 4.1Å; L512-I516 HydrophobicContact CD2-CD1 4.13Å; L512-I516 HydrophobicContact CG-CD1 3.81Å; L512-I516 HydrophobicContact CG-CG1 4.22Å; L512-I516 PolarHBondContact O-N 2.77Å; W513-I516 HydrophobicContact CE3-CD1 4.06Å; W513-I516 HydrophobicContact CZ3-CD1 4.07Å; W513-I516 PolarHBondContact O-N 3.21Å; I516-A518 VanDerWaalsContact C-N 3.25Å; I516-A518 PolarHBondContact O-N 2.77Å; I516-D519 CarbonylContact O-C 3.57Å; I516-D519 VanDerWaalsContact O-C 3.31Å; I516-D519 PolarHBondContact O-N 2.83Å; I516-D519 VanDerWaalsContact O-N 3.08Å; I516-I520 PolarHBondContact O-N 2.81Å; I516-Y523 HydrophobicContact CB-CD2 4.43Å; I516-Y523 HydrophobicContact CB-CE2 4.11Å; I516-Y523 HydrophobicContact CG1-CE2 4.21Å; I516-Y523 HydrophobicContact CG2-CD2 3.62Å; I516-Y523 HydrophobicContact CG2-CE2 3.81Å; I516-Y523 HydrophobicContact CG2-CG 4.2Å; I516-Y523 WeakPolarHBondContact O-CE2 3.49Å
517N98Very high95.4Very high58 Ų5843.7 Ų43.731%0.3122%0.224SC..Hα-helixtrans-69.6-20.8-175.9-70-39.4000113.4E397 W513 D519E397-N517 PolarHBondContact OE1-ND2 3.15Å; E397-N517 PolarHBondContact OE2-ND2 3.08Å; W513-N517 WeakPolarHBondContact O-CB 3.34Å; W513-N517 VanDerWaalsContact O-CG 3.32Å; W513-N517 PolarHBondContact O-N 3.01Å; W513-N517 PolarHBondContact O-ND2 2.93Å; W513-N517 VanDerWaalsContact O-ND2 3.12Å; N517-D519 PolarHBondContact O-N 2.92Å
518A96Very high95.4Very high70 Ų7039.8 Ų39.858%0.57920%0.204SC*.THydrogen-bonded Turntrans-66.9-20.9171.800000113.6F152 A514 I516F152-A518 HydrophobicContact CD1-CB 4.02Å; F152-A518 HydrophobicContact CE1-CB 4.34Å; A514-A518 VanDerWaalsContact O-CB 3.31Å; A514-A518 WeakPolarHBondContact O-CB 3.5Å; A514-A518 PolarHBondContact O-N 3.5Å; I516-A518 VanDerWaalsContact C-N 3.25Å; I516-A518 PolarHBondContact O-N 2.77Å
519D93.4Very high95.3Very high78 Ų7839.4 Ų39.442%0.41721%0.207SC..THydrogen-bonded Turntrans-142.353.6177.1-161.1-4.1000111.4I516 N517 Q521 L522 Y523I516-D519 CarbonylContact O-C 3.57Å; I516-D519 VanDerWaalsContact O-C 3.31Å; I516-D519 PolarHBondContact O-N 2.83Å; I516-D519 VanDerWaalsContact O-N 3.08Å; N517-D519 PolarHBondContact O-N 2.92Å; D519-Q521 PolarHBondContact O-N 3.32Å; D519-Q521 VanDerWaalsContact O-N 3.08Å; D519-L522 HydrophobicContact CB-CD1 4.31Å; D519-L522 HydrophobicContact CB-CG 4.41Å; D519-L522 WeakPolarHBondContact O-CB 3.23Å; D519-L522 PolarHBondContact O-N 3.4Å; D519-L522 VanDerWaalsContact O-N 3.1Å; D519-L522 WeakPolarHBondContact OD2-CD1 3.43Å; D519-L522 WeakPolarHBondContact OD2-CG 3.13Å; D519-Y523 WeakPolarHBondContact O-CD2 3.33Å; D519-Y523 WeakPolarHBondContact O-CE2 3.36Å
520I94.4Very high95.1Very high58 Ų5841.2 Ų41.230%0.29722%0.219SC..G310 helixtrans-55.7-30.1-173.7-161.8169.8000113.3I393 I516 L522 Y523 Q524I393-I520 HydrophobicContact CB-CD1 4.46Å; I393-I520 HydrophobicContact CD1-CD1 3.94Å; I393-I520 HydrophobicContact CD1-CG1 3.53Å; I393-I520 HydrophobicContact CG2-CD1 4.2Å; I393-I520 HydrophobicContact CG2-CG1 4.35Å; I516-I520 PolarHBondContact O-N 2.81Å; I520-L522 PolarHBondContact O-N 2.92Å; I520-Y523 WeakPolarHBondContact O-CB 3.44Å; I520-Y523 PolarHBondContact O-N 3.21Å; I520-Q524 PolarHBondContact O-N 2.77Å
521Q92Very high94.8Very high136 Ų13640.7 Ų40.764%0.63622%0.217SC*.G310 helixtrans-62-27.1-178.6-64.9179.312.400112.7D519 Y523D519-Q521 PolarHBondContact O-N 3.32Å; D519-Q521 VanDerWaalsContact O-N 3.08Å; Q521-Y523 PolarHBondContact O-N 3.17Å
522L89.2Confident94.4Very high47 Ų4747.4 Ų47.425%0.24625%0.248CC..G310 helixtrans-68.4-20.1175.3-67.2-171.6000113.7N473 D519 I520N473-L522 PolarHBondContact ND2-O 3.03Å; D519-L522 HydrophobicContact CB-CD1 4.31Å; D519-L522 HydrophobicContact CB-CG 4.41Å; D519-L522 WeakPolarHBondContact O-CB 3.23Å; D519-L522 PolarHBondContact O-N 3.4Å; D519-L522 VanDerWaalsContact O-N 3.1Å; D519-L522 WeakPolarHBondContact OD2-CD1 3.43Å; D519-L522 WeakPolarHBondContact OD2-CG 3.13Å; I520-L522 PolarHBondContact O-N 2.92Å
523Y94.9Very high93.9Very high4 Ų453.8 Ų53.82%0.01628%0.281CS..THydrogen-bonded Turntrans-107.6-9.3-171.7-57.4-62.4000112.5F472 N473 R475 F476 T479 I516 D519 I520 Q521F472-Y523 CarbonylContact C-O 3.46Å; F472-Y523 WeakPolarHBondContact CA-O 3.4Å; N473-Y523 PolarHBondContact N-O 3.3Å; N473-Y523 VanDerWaalsContact ND2-C 3.33Å; N473-Y523 PolarHBondContact ND2-O 2.49Å; N473-Y523 PolarHBondContact OD1-O 3.34Å; R475-Y523 HydrophobicContact CG-CD1 4.26Å; R475-Y523 HydrophobicContact CG-CE1 4.14Å; F476-Y523 HydrophobicContact CB-CD1 3.89Å; F476-Y523 HydrophobicContact CB-CG 4.32Å; F476-Y523 HydrophobicContact CD2-CD1 4.29Å; F476-Y523 HydrophobicContact CD2-CG 4.21Å; T479-Y523 HydrophobicContact CG2-CE1 4.32Å; I516-Y523 HydrophobicContact CB-CD2 4.43Å; I516-Y523 HydrophobicContact CB-CE2 4.11Å; I516-Y523 HydrophobicContact CG1-CE2 4.21Å; I516-Y523 HydrophobicContact CG2-CD2 3.62Å; I516-Y523 HydrophobicContact CG2-CE2 3.81Å; I516-Y523 HydrophobicContact CG2-CG 4.2Å; I516-Y523 WeakPolarHBondContact O-CE2 3.49Å; D519-Y523 WeakPolarHBondContact O-CD2 3.33Å; D519-Y523 WeakPolarHBondContact O-CE2 3.36Å; I520-Y523 WeakPolarHBondContact O-CB 3.44Å; I520-Y523 PolarHBondContact O-N 3.21Å; Q521-Y523 PolarHBondContact O-N 3.17Å
524Q94.9Very high93.4Very high66 Ų6655.7 Ų55.731%0.30829%0.294SS..BIsolated β-bridgetrans-72.9133.4-179.1-75.5177-27.700111.9I393 E471 N473 I520 P526I393-Q524 HydrophobicContact CD1-CG 3.95Å; E471-Q524 CarbonylContact O-C 3.43Å; E471-Q524 WeakPolarHBondContact O-CA 3.35Å; N473-Q524 PolarHBondContact ND2-O 3.49Å; I520-Q524 PolarHBondContact O-N 2.77Å; Q524-P526 WeakPolarHBondContact O-CD 3.22Å
525N93.6Very high92.7Very high24 Ų2458.1 Ų58.113%0.12832%0.32CS..  trans-82.3114.4168175.210.6000109.1P467 F470 E471 N473 L527 Y528P467-N525 PolarHBondContact O-ND2 3.42Å; F470-N525 WeakPolarHBondContact O-CB 3.18Å; F470-N525 PolarHBondContact O-ND2 2.86Å; E471-N525 WeakPolarHBondContact O-CB 3.29Å; E471-N525 PolarHBondContact O-N 2.79Å; N473-N525 HydrophobicContact CB-CB 4.43Å; N525-L527 PolarHBondContact O-N 2.82Å; N525-L527 VanDerWaalsContact O-N 3.16Å; N525-L527 WeakPolarHBondContact OD1-CB 3.4Å; N525-L527 PolarHBondContact OD1-N 2.81Å; N525-Y528 WeakPolarHBondContact O-CB 3.43Å; N525-Y528 PolarHBondContact O-N 3.44Å; N525-Y528 VanDerWaalsContact O-N 3.11Å
526P90.4Very high91.9Very high17 Ų1759.8 Ų59.811%0.1133%0.33CS..THydrogen-bonded Turntrans-62.5-23-179.522.8-31.6000113.9Q524 Y528 L575 I576 M579Q524-P526 WeakPolarHBondContact O-CD 3.22Å; P526-Y528 VanDerWaalsContact C-N 3.34Å; P526-L575 HydrophobicContact CG-CB 4.31Å; P526-I576 HydrophobicContact CB-CG1 3.74Å; P526-I576 HydrophobicContact CG-CG1 3.91Å; P526-M579 HydrophobicContact CB-SD 3.6Å; P526-M579 WeakPolarHBondContact O-CE 3.42Å
527L91Very high91.6Very high79 Ų7966.9 Ų66.941%0.41436%0.357SS..THydrogen-bonded Turntrans-86.4-4.1-179.7-57-180000113H468 N525 T529H468-L527 WeakPolarHBondContact CA-O 3.37Å; H468-L527 PolarHBondContact CD2-O 2.84Å; N525-L527 PolarHBondContact O-N 2.82Å; N525-L527 VanDerWaalsContact O-N 3.16Å; N525-L527 WeakPolarHBondContact OD1-CB 3.4Å; N525-L527 PolarHBondContact OD1-N 2.81Å; L527-T529 PolarHBondContact O-N 2.94Å
528Y94.2Very high91.5Very high47 Ų4766.1 Ų66.118%0.18435%0.354CS..  trans-58.7129.2-177.2177.4-126.2000112.3H468 F470 E471 N525 P526 P530H468-Y528 WeakPolarHBondContact O-CD2 3.28Å; F470-Y528 WeakPolarHBondContact O-CB 3.45Å; F470-Y528 WeakPolarHBondContact O-CD2 3.44Å; E471-Y528 VanDerWaalsContact CA-CG 3.41Å; E471-Y528 HydrophobicContact CB-CD1 3.67Å; E471-Y528 HydrophobicContact CB-CD2 4.25Å; E471-Y528 HydrophobicContact CB-CE1 3.7Å; E471-Y528 HydrophobicContact CB-CE2 4.28Å; E471-Y528 HydrophobicContact CB-CG 3.95Å; E471-Y528 HydrophobicContact CG-CD1 3.74Å; E471-Y528 HydrophobicContact CG-CE1 3.92Å; E471-Y528 HydrophobicContact CG-CG 4.38Å; E471-Y528 VanDerWaalsContact N-CD2 3.32Å; N525-Y528 WeakPolarHBondContact O-CB 3.43Å; N525-Y528 PolarHBondContact O-N 3.44Å; N525-Y528 VanDerWaalsContact O-N 3.11Å; P526-Y528 VanDerWaalsContact C-N 3.34Å; Y528-P530 HydrophobicContact CD1-CG 4.46Å; Y528-P530 HydrophobicContact CE1-CG 3.87Å
529T94.1Very high91.6Very high46 Ų4663 Ų6328%0.28233%0.328SS..  trans-121.6114.4170.9-54.70000108.7H468 L527 I533H468-T529 PolarHBondContact O-N 2.96Å; L527-T529 PolarHBondContact O-N 2.94Å; T529-I533 HydrophobicContact CG2-CB 4.04Å; T529-I533 HydrophobicContact CG2-CG2 3.85Å
530P93.9Very high91.8Very high40 Ų4062.1 Ų62.126%0.2632%0.321SS..  trans-49.4145.9176.3-28.734.1000113Y528 E532 I533 S534Y528-P530 HydrophobicContact CD1-CG 4.46Å; Y528-P530 HydrophobicContact CE1-CG 3.87Å; P530-E532 VanDerWaalsContact CB-OE2 3.31Å; P530-E532 WeakPolarHBondContact CB-OE2 3.43Å; P530-E532 PolarHBondContact O-N 2.73Å; P530-I533 HydrophobicContact CB-CD1 4.31Å; P530-I533 HydrophobicContact CB-CG1 4.44Å; P530-I533 HydrophobicContact CG-CD1 4.14Å; P530-I533 PolarHBondContact O-N 2.87Å; P530-S534 PolarHBondContact O-N 3.18Å; P530-S534 PolarHBondContact O-OG 2.87Å; P530-S534 VanDerWaalsContact O-OG 3.13Å
531A91.9Very high92Very high3 Ų359.5 Ų59.53%0.02531%0.308CS..Hα-helixtrans-65.3-28.1-175.700000112.4P388 I533 S534 G535 R537P388-A531 HydrophobicContact CB-CB 3.4Å; P388-A531 HydrophobicContact CG-CB 3.73Å; A531-I533 PolarHBondContact O-N 3.06Å; A531-S534 WeakPolarHBondContact CA-OG 3.5Å; A531-G535 WeakPolarHBondContact O-CA 3.5Å; A531-G535 PolarHBondContact O-N 2.93Å; A531-R537 HydrophobicContact CB-CG 4.4Å
532E89.8Confident92.3Very high141 Ų14158.4 Ų58.466%0.65930%0.302SS*.Hα-helixtrans-63.9-27.9173.8-58.173.8-159.800112P530P530-E532 VanDerWaalsContact CB-OE2 3.31Å; P530-E532 WeakPolarHBondContact CB-OE2 3.43Å; P530-E532 PolarHBondContact O-N 2.73Å
533I89.8Confident92.7Very high134 Ų13458.7 Ų58.769%0.68730%0.302SS*.Hα-helixtrans-94.2-44.9180-62.2173.8000110.7T529 P530 A531T529-I533 HydrophobicContact CG2-CB 4.04Å; T529-I533 HydrophobicContact CG2-CG2 3.85Å; P530-I533 HydrophobicContact CB-CD1 4.31Å; P530-I533 HydrophobicContact CB-CG1 4.44Å; P530-I533 HydrophobicContact CG-CD1 4.14Å; P530-I533 PolarHBondContact O-N 2.87Å; A531-I533 PolarHBondContact O-N 3.06Å
534S87.7Confident92.8Very high40 Ų4060.3 Ų60.328%0.2832%0.317SS..Hα-helixtrans-79.1-21.4-176.657.80000114.1P530 A531 H536P530-S534 PolarHBondContact O-N 3.18Å; P530-S534 PolarHBondContact O-OG 2.87Å; P530-S534 VanDerWaalsContact O-OG 3.13Å; A531-S534 WeakPolarHBondContact CA-OG 3.5Å; S534-H536 PolarHBondContact O-N 2.81Å; S534-H536 PolarHBondContact OG-N 2.89Å
535G83.2Confident92.9Very high57 Ų5761.5 Ų61.559%0.58832%0.324SS*.  trans76.2-7.8-170.300000114.4A531 R537A531-G535 WeakPolarHBondContact O-CA 3.5Å; A531-G535 PolarHBondContact O-N 2.93Å; G535-R537 VanDerWaalsContact C-N 3.31Å; G535-R537 PolarHBondContact O-N 3.05Å
536H80.5Confident93Very high111 Ų11164.8 Ų64.851%0.51436%0.355SS..  trans-81.970-179.1-65.2170.3000112.2R391 S534R391-H536 PolarHBondContact NH2-O 3.44Å; S534-H536 PolarHBondContact O-N 2.81Å; S534-H536 PolarHBondContact OG-N 2.89Å
537R91.1Very high93.3Very high148 Ų14869.1 Ų69.156%0.55837%0.374SS*.  trans-69.8-40.4178.4-69.9-171.6178.1-142-1.5113.4P388 R391 A531 G535P388-R537 WeakPolarHBondContact CD-O 3.44Å; R391-R537 VanDerWaalsContact NH2-C 3.34Å; R391-R537 PolarHBondContact NH2-O 3.46Å; A531-R537 HydrophobicContact CB-CG 4.4Å; G535-R537 VanDerWaalsContact C-N 3.31Å; G535-R537 PolarHBondContact O-N 3.05Å
538V97Very high93.7Very high42 Ų4266 Ų6626%0.25536%0.357SS..  trans-114.9139.6177.9-175.50000109.6E358 M385 L386 F540E358-V538 HydrophobicContact CG-CG1 4.19Å; E358-V538 HydrophobicContact CG-CG2 4.22Å; M385-V538 WeakPolarHBondContact O-CA 3.31Å; L386-V538 HydrophobicContact CD2-CG1 4.33Å; V538-F540 HydrophobicContact CB-CE2 4.49Å; V538-F540 HydrophobicContact CG1-CD2 4.18Å; V538-F540 HydrophobicContact CG1-CE1 4.33Å; V538-F540 HydrophobicContact CG1-CE2 3.48Å; V538-F540 VanDerWaalsContact CG1-CE2 3.48Å; V538-F540 HydrophobicContact CG1-CZ 3.57Å
539I97.3Very high93.8Very high5 Ų568.5 Ų68.53%0.02637%0.371CS..  trans-129.4139.6177.159.8172.2000110.9M385 T462 F466 F470M385-I539 VanDerWaalsContact CB-O 3.23Å; M385-I539 WeakPolarHBondContact CB-O 3.32Å; M385-I539 WeakPolarHBondContact CG-O 3.31Å; M385-I539 PolarHBondContact O-N 3.44Å; T462-I539 HydrophobicContact CG2-CD1 3.83Å; F466-I539 HydrophobicContact CB-CD1 4.41Å; F466-I539 HydrophobicContact CD1-CB 4.13Å; F466-I539 HydrophobicContact CD1-CG2 3.87Å; F466-I539 HydrophobicContact CD2-CB 4.29Å; F466-I539 HydrophobicContact CD2-CD1 4.05Å; F466-I539 HydrophobicContact CE1-CB 3.95Å; F466-I539 HydrophobicContact CE1-CG2 3.98Å; F466-I539 HydrophobicContact CE2-CB 4.11Å; F466-I539 HydrophobicContact CG-CB 4.31Å; F466-I539 HydrophobicContact CG-CD1 4.18Å; F466-I539 HydrophobicContact CG-CG2 4.29Å; F466-I539 HydrophobicContact CZ-CB 3.94Å; F466-I539 HydrophobicContact CZ-CG2 4.48Å; F470-I539 HydrophobicContact CE2-CD1 3.97Å; F470-I539 HydrophobicContact CZ-CD1 3.98Å
540F97.8Very high93.9Very high60 Ų6067.7 Ų67.726%0.26336%0.363SS..  trans-12499.2179.2-66.6-76.2000110.3T351 A354 D355 E358 V538T351-F540 HydrophobicContact CG2-CB 4.34Å; T351-F540 HydrophobicContact CG2-CD1 3.93Å; A354-F540 HydrophobicContact CB-CD1 4.35Å; A354-F540 HydrophobicContact CB-CE1 3.72Å; D355-F540 HydrophobicContact CB-CE1 4.33Å; E358-F540 HydrophobicContact CB-CZ 3.96Å; E358-F540 HydrophobicContact CG-CZ 4.17Å; V538-F540 HydrophobicContact CB-CE2 4.49Å; V538-F540 HydrophobicContact CG1-CD2 4.18Å; V538-F540 HydrophobicContact CG1-CE1 4.33Å; V538-F540 HydrophobicContact CG1-CE2 3.48Å; V538-F540 VanDerWaalsContact CG1-CE2 3.48Å; V538-F540 HydrophobicContact CG1-CZ 3.57Å
541P98Very high94Very high3 Ų365.8 Ų65.82%0.01935%0.351CS..  trans-68.2143.1178.426.7-32.5000112.5I347 M385 T462 F466 H543I347-P541 HydrophobicContact CG2-CB 4.2Å; I347-P541 HydrophobicContact CG2-CG 3.78Å; M385-P541 HydrophobicContact CE-CG 3.59Å; M385-P541 HydrophobicContact SD-CG 4.35Å; T462-P541 HydrophobicContact CG2-CB 4.16Å; T462-P541 HydrophobicContact CG2-CG 4.11Å; F466-P541 HydrophobicContact CE2-CB 4.09Å; P541-H543 PolarHBondContact O-N 3.2Å
542Q98Very high93.9Very high113 Ų11368.6 Ų68.653%0.52837%0.368SS..  trans-70.6122.6169-65.1-64.7-31.700109.8Q465 Q547Q465-Q542 PolarHBondContact NE2-O 3.23Å; Q542-Q547 HydrophobicContact CB-CB 3.95Å; Q542-Q547 HydrophobicContact CB-CG 3.85Å; Q542-Q547 HydrophobicContact CG-CG 4.48Å
543H97.9Very high93.9Very high53 Ų5363 Ų6325%0.24535%0.345CS..  trans-93.9-3.117858.755.7000113.2K344 I347 F348 P541 L545K344-H543 WeakPolarHBondContact CB-O 3.25Å; K344-H543 WeakPolarHBondContact CD-O 3.16Å; K344-H543 HydrophobicContact CG-CB 4.44Å; K344-H543 WeakPolarHBondContact CG-O 3.36Å; I347-H543 HydrophobicContact CB-CB 4.02Å; I347-H543 HydrophobicContact CG2-CB 3.83Å; F348-H543 HydrophobicContact CB-CB 4.19Å; F348-H543 AromaticContact CD2-CD2 3.73Å; F348-H543 AromaticContact CD2-NE2 3.49Å; F348-H543 WeakPolarHBondContact CD2-NE2 3.24Å; P541-H543 PolarHBondContact O-N 3.2Å; H543-L545 PolarHBondContact O-N 3.48Å
544A97.9Very high94Very high38 Ų3856.7 Ų56.731%0.31431%0.313SS..  trans-59.4137.1-179.700000110A546 Q547 L548A544-A546 PolarHBondContact O-N 2.81Å; A544-Q547 PolarHBondContact O-N 2.84Å; A544-L548 PolarHBondContact O-N 2.92Å
545L97Very high94.3Very high90 Ų9054.8 Ų54.847%0.47130%0.3SS..G310 helixtrans-55.8-30-179.3-73.3174.5000112.6L340 K344 H543 Q547 L548L340-L545 HydrophobicContact CB-CD2 4.07Å; L340-L545 WeakPolarHBondContact O-CD2 3.35Å; K344-L545 HydrophobicContact CB-CD2 4.15Å; K344-L545 HydrophobicContact CD-CD2 4.32Å; K344-L545 HydrophobicContact CD-CG 4Å; H543-L545 PolarHBondContact O-N 3.48Å; L545-Q547 PolarHBondContact O-N 2.96Å; L545-L548 HydrophobicContact CD2-CD1 4.45Å; L545-L548 PolarHBondContact O-N 3Å
546A95.9Very high94.5Very high93 Ų9352.6 Ų52.677%0.76928%0.275SS*.G310 helixtrans-64.4-18.5175.600000114.1A544A544-A546 PolarHBondContact O-N 2.81Å
547Q96.5Very high94.7Very high108 Ų10848.8 Ų48.851%0.50526%0.256SS..G310 helixtrans-105-5178.8-62.2-61.8-28.100112.7Q542 A544 L545Q542-Q547 HydrophobicContact CB-CB 3.95Å; Q542-Q547 HydrophobicContact CB-CG 3.85Å; Q542-Q547 HydrophobicContact CG-CG 4.48Å; A544-Q547 PolarHBondContact O-N 2.84Å; L545-Q547 PolarHBondContact O-N 2.96Å
548L98Very high94.3Very high14 Ų1445.9 Ų45.97%0.07325%0.245CC..  trans-95.3145178.9-58.8-170.1000111I343 K344 I347 Q461 A544 L545I343-L548 HydrophobicContact CB-CD1 4.45Å; I343-L548 HydrophobicContact CG2-CD1 4.13Å; K344-L548 HydrophobicContact CB-CD1 3.72Å; I347-L548 HydrophobicContact CD1-CD2 3.87Å; Q461-L548 HydrophobicContact CB-CD2 4.25Å; Q461-L548 HydrophobicContact CG-CD2 4.13Å; A544-L548 PolarHBondContact O-N 2.92Å; L545-L548 HydrophobicContact CD2-CD1 4.45Å; L545-L548 PolarHBondContact O-N 3Å
549Q97.1Very high93.4Very high99 Ų9944 Ų4446%0.46323%0.233SC..  trans-119.8146.5-177-63.8179.7-1700110.9W460 Q461 W551W460-Q549 HydrophobicContact CH2-CB 3.78Å; W460-Q549 HydrophobicContact CZ3-CB 3.82Å; Q461-Q549 PolarHBondContact NE2-O 2.78Å; Q549-W551 PolarHBondContact O-N 2.9Å
550F96Very high92.1Very high29 Ų2946.9 Ų46.913%0.12725%0.252CS..  trans-73.5122.7168.6-176.6-110.7000109.3V317 W330 L334 T552 Y555 I556V317-F550 HydrophobicContact CG1-CE2 3.84Å; V317-F550 HydrophobicContact CG1-CZ 3.97Å; W330-F550 AromaticContact CH2-CE1 3.98Å; W330-F550 HydrophobicContact CH2-CE1 3.98Å; W330-F550 HydrophobicContact CH2-CZ 4.46Å; W330-F550 HydrophobicContact CZ2-CD1 4.11Å; W330-F550 AromaticContact CZ2-CE1 3.88Å; W330-F550 HydrophobicContact CZ2-CE1 3.88Å; L334-F550 HydrophobicContact CD1-CB 4.37Å; L334-F550 HydrophobicContact CD1-CD1 4.21Å; L334-F550 HydrophobicContact CD1-CD2 4.22Å; L334-F550 HydrophobicContact CD1-CG 4.02Å; L334-F550 HydrophobicContact CD2-CD2 4.1Å; L334-F550 HydrophobicContact CD2-CE1 4.48Å; L334-F550 HydrophobicContact CD2-CE2 3.75Å; L334-F550 HydrophobicContact CD2-CZ 3.94Å; F550-T552 HydrophobicContact CD1-CG2 3.81Å; F550-T552 HydrophobicContact CE1-CG2 4.45Å; F550-T552 PolarHBondContact O-N 2.78Å; F550-Y555 HydrophobicContact CD2-CD2 4.05Å; F550-Y555 HydrophobicContact CE1-CD2 4.36Å; F550-Y555 HydrophobicContact CE1-CG 4.47Å; F550-Y555 AromaticContact CE2-CD2 3.57Å; F550-Y555 HydrophobicContact CE2-CD2 3.57Å; F550-Y555 HydrophobicContact CE2-CE2 4.29Å; F550-Y555 AromaticContact CE2-CG 3.86Å; F550-Y555 HydrophobicContact CE2-CG 3.86Å; F550-Y555 AromaticContact CZ-CD2 3.77Å; F550-Y555 HydrophobicContact CZ-CD2 3.77Å; F550-Y555 AromaticContact CZ-CG 3.72Å; F550-Y555 HydrophobicContact CZ-CG 3.72Å; F550-I556 HydrophobicContact CE1-CG2 4.08Å
551W95.3Very high90.7Very high1 Ų149.8 Ų49.80%0.00427%0.27CS..  trans-74.873.9-176.2-173.215.1000112.1I456 D457 W460 E474 L477 I478 Q549 A553 Y554 Y555I456-W551 HydrophobicContact CG2-CH2 3.72Å; I456-W551 HydrophobicContact CG2-CZ3 3.8Å; D457-W551 HydrophobicContact CB-CE3 4.31Å; W460-W551 HydrophobicContact CB-CD2 4.23Å; W460-W551 HydrophobicContact CB-CE3 4.27Å; W460-W551 HydrophobicContact CB-CH2 4.38Å; W460-W551 HydrophobicContact CB-CZ2 4.31Å; W460-W551 HydrophobicContact CB-CZ3 4.36Å; W460-W551 AromaticContact CD1-CD1 3.92Å; W460-W551 AromaticContact CD1-CE2 3.45Å; W460-W551 VanDerWaalsContact CD1-CE2 3.45Å; W460-W551 AromaticContact CD1-CZ2 3.75Å; W460-W551 AromaticContact CD1-NE1 3.39Å; W460-W551 HydrophobicContact CD2-CB 4.12Å; W460-W551 AromaticContact CD2-CD1 3.66Å; W460-W551 AromaticContact CD2-CD2 3.95Å; W460-W551 HydrophobicContact CD2-CD2 3.95Å; W460-W551 AromaticContact CD2-CG 3.67Å; W460-W551 HydrophobicContact CD2-CG 3.67Å; W460-W551 AromaticContact CD2-NE1 3.93Å; W460-W551 AromaticContact CE2-CD1 3.26Å; W460-W551 AromaticContact CE2-CG 3.77Å; W460-W551 AromaticContact CE2-NE1 3.54Å; W460-W551 HydrophobicContact CE3-CB 3.85Å; W460-W551 HydrophobicContact CE3-CD2 4.45Å; W460-W551 AromaticContact CE3-CG 3.94Å; W460-W551 HydrophobicContact CE3-CG 3.94Å; W460-W551 AromaticContact CG-CD2 3.82Å; W460-W551 HydrophobicContact CG-CD2 3.82Å; W460-W551 AromaticContact CG-CE2 3.68Å; W460-W551 HydrophobicContact CG-CE3 4.35Å; W460-W551 HydrophobicContact CG-CG 4.07Å; W460-W551 HydrophobicContact CG-CZ2 4.08Å; W460-W551 AromaticContact CG-NE1 3.86Å; W460-W551 HydrophobicContact CH2-CB 4.22Å; W460-W551 HydrophobicContact CH2-CG 4.43Å; W460-W551 HydrophobicContact CZ2-CB 4.43Å; W460-W551 AromaticContact CZ2-CD1 3.57Å; W460-W551 HydrophobicContact CZ2-CG 4.16Å; W460-W551 HydrophobicContact CZ3-CB 3.91Å; W460-W551 HydrophobicContact CZ3-CG 4.31Å; W460-W551 AromaticContact NE1-CD1 3.4Å; W460-W551 AromaticContact NE1-CE2 3.72Å; W460-W551 AromaticContact NE1-NE1 3.13Å; W460-W551 VanDerWaalsContact NE1-NE1 3.13Å; E474-W551 HydrophobicContact CG-CZ2 4.05Å; E474-W551 PolarHBondContact OE1-NE1 3.28Å; L477-W551 HydrophobicContact CB-CH2 3.93Å; L477-W551 HydrophobicContact CB-CZ2 4.25Å; L477-W551 HydrophobicContact CD1-CH2 4.45Å; I478-W551 HydrophobicContact CD1-CZ2 4.38Å; I478-W551 HydrophobicContact CG1-CH2 4.35Å; I478-W551 HydrophobicContact CG1-CZ2 3.77Å; Q549-W551 PolarHBondContact O-N 2.9Å; W551-A553 VanDerWaalsContact C-N 3.3Å; W551-A553 PolarHBondContact O-N 2.83Å; W551-Y554 HydrophobicContact CD2-CG 4.19Å; W551-Y554 HydrophobicContact CE3-CD1 4.32Å; W551-Y554 AromaticContact CE3-CG 3.97Å; W551-Y554 HydrophobicContact CE3-CG 3.97Å; W551-Y554 HydrophobicContact CH2-CD2 4.26Å; W551-Y554 HydrophobicContact CH2-CG 4.33Å; W551-Y554 HydrophobicContact CZ3-CD1 4.5Å; W551-Y554 HydrophobicContact CZ3-CD2 4.31Å; W551-Y554 HydrophobicContact CZ3-CG 4.03Å; W551-Y554 PolarHBondContact O-N 3.41Å; W551-Y555 HydrophobicContact CB-CD2 3.84Å; W551-Y555 HydrophobicContact CB-CE2 3.7Å; W551-Y555 WeakPolarHBondContact O-CD2 3.14Å; W551-Y555 PolarHBondContact O-N 3.09Å
552T90.9Very high89.6Confident61 Ų6152.3 Ų52.337%0.37428%0.282SS..Hα-helixtrans-56.3-41.9-175.151.60000112.7F550 Y554 I556F550-T552 HydrophobicContact CD1-CG2 3.81Å; F550-T552 HydrophobicContact CE1-CG2 4.45Å; F550-T552 PolarHBondContact O-N 2.78Å; T552-Y554 PolarHBondContact O-N 2.97Å; T552-Y554 VanDerWaalsContact O-N 3.07Å; T552-I556 HydrophobicContact CG2-CD1 3.74Å; T552-I556 HydrophobicContact CG2-CG1 4.34Å; T552-I556 WeakPolarHBondContact O-CG1 3.49Å; T552-I556 PolarHBondContact O-N 2.81Å; T552-I556 VanDerWaalsContact O-N 3.13Å
553A89Confident88.2Confident23 Ų2353.4 Ų53.419%0.1928%0.281CS..Hα-helixtrans-62.6-16179.100000114.1E474 W551 R557 I568E474-A553 VanDerWaalsContact OE1-CB 3.29Å; E474-A553 WeakPolarHBondContact OE1-CB 3.41Å; E474-A553 WeakPolarHBondContact OE2-CB 3.4Å; W551-A553 VanDerWaalsContact C-N 3.3Å; W551-A553 PolarHBondContact O-N 2.83Å; A553-R557 VanDerWaalsContact O-CB 3.27Å; A553-R557 WeakPolarHBondContact O-CB 3.47Å; A553-I568 HydrophobicContact CB-CD1 3.84Å
554Y92.6Very high86.6Confident3 Ų355.3 Ų55.31%0.01229%0.293CS..Hα-helixtrans-100.2-59170.2-174.8-99.9000112.1I104 L453 I478 M481 W551 T552 I556 R557I104-Y554 HydrophobicContact CD1-CE1 4.43Å; L453-Y554 HydrophobicContact CD1-CD1 3.91Å; L453-Y554 HydrophobicContact CD1-CE1 3.27Å; L453-Y554 HydrophobicContact CD2-CE1 3.92Å; L453-Y554 HydrophobicContact CG-CE1 4.25Å; I478-Y554 HydrophobicContact CG1-CD2 4.29Å; M481-Y554 HydrophobicContact CB-CE2 3.56Å; M481-Y554 HydrophobicContact CG-CE2 4Å; W551-Y554 HydrophobicContact CD2-CG 4.19Å; W551-Y554 HydrophobicContact CE3-CD1 4.32Å; W551-Y554 AromaticContact CE3-CG 3.97Å; W551-Y554 HydrophobicContact CE3-CG 3.97Å; W551-Y554 HydrophobicContact CH2-CD2 4.26Å; W551-Y554 HydrophobicContact CH2-CG 4.33Å; W551-Y554 HydrophobicContact CZ3-CD1 4.5Å; W551-Y554 HydrophobicContact CZ3-CD2 4.31Å; W551-Y554 HydrophobicContact CZ3-CG 4.03Å; W551-Y554 PolarHBondContact O-N 3.41Å; T552-Y554 PolarHBondContact O-N 2.97Å; T552-Y554 VanDerWaalsContact O-N 3.07Å; Y554-I556 PolarHBondContact O-N 3.12Å; Y554-R557 WeakPolarHBondContact O-CD 3.38Å; Y554-R557 VanDerWaalsContact O-CG 3.22Å; Y554-R557 WeakPolarHBondContact O-CG 3.48Å; Y554-R557 PolarHBondContact O-NE 3.47Å
555Y93.2Very high84.7Confident0 Ų059.1 Ų59.10%030%0.304CS..Hα-helixtrans-70.6-33.4-167.1-66.2-66.1000114.5I104 L314 V317 W339 L453 D457 F550 W551I104-Y555 HydrophobicContact CD1-CD1 3.43Å; I104-Y555 VanDerWaalsContact CD1-CD1 3.43Å; I104-Y555 HydrophobicContact CD1-CE1 4.06Å; I104-Y555 HydrophobicContact CD1-CG 4.48Å; L314-Y555 HydrophobicContact CD1-CE1 4.25Å; V317-Y555 HydrophobicContact CG1-CD1 4.12Å; V317-Y555 HydrophobicContact CG1-CG 4.4Å; W339-Y555 AromaticContact CE2-CZ 3.9Å; W339-Y555 VanDerWaalsContact CE2-OH 3.25Å; W339-Y555 HydrophobicContact CZ2-CE1 4.39Å; W339-Y555 WeakPolarHBondContact CZ2-OH 3.4Å; W339-Y555 AromaticContact NE1-CE2 3.91Å; W339-Y555 AromaticContact NE1-CZ 3.54Å; W339-Y555 PolarHBondContact NE1-OH 2.83Å; L453-Y555 HydrophobicContact CD2-CE1 4.15Å; D457-Y555 WeakPolarHBondContact OD2-CE2 3.14Å; D457-Y555 PolarHBondContact OD2-OH 2.99Å; F550-Y555 HydrophobicContact CD2-CD2 4.05Å; F550-Y555 HydrophobicContact CE1-CD2 4.36Å; F550-Y555 HydrophobicContact CE1-CG 4.47Å; F550-Y555 AromaticContact CE2-CD2 3.57Å; F550-Y555 HydrophobicContact CE2-CD2 3.57Å; F550-Y555 HydrophobicContact CE2-CE2 4.29Å; F550-Y555 AromaticContact CE2-CG 3.86Å; F550-Y555 HydrophobicContact CE2-CG 3.86Å; F550-Y555 AromaticContact CZ-CD2 3.77Å; F550-Y555 HydrophobicContact CZ-CD2 3.77Å; F550-Y555 AromaticContact CZ-CG 3.72Å; F550-Y555 HydrophobicContact CZ-CG 3.72Å; W551-Y555 HydrophobicContact CB-CD2 3.84Å; W551-Y555 HydrophobicContact CB-CE2 3.7Å; W551-Y555 WeakPolarHBondContact O-CD2 3.14Å; W551-Y555 PolarHBondContact O-N 3.09Å
556I87.7Confident83Confident11 Ų1159.2 Ų59.26%0.05630%0.302CS..THydrogen-bonded Turntrans-112.49.3-176.660.2173.7000112.8C321 W330 F550 T552 Y554 W558 H559 M562C321-I556 HydrophobicContact CB-CG2 4.25Å; W330-I556 HydrophobicContact CH2-CG2 4.05Å; F550-I556 HydrophobicContact CE1-CG2 4.08Å; T552-I556 HydrophobicContact CG2-CD1 3.74Å; T552-I556 HydrophobicContact CG2-CG1 4.34Å; T552-I556 WeakPolarHBondContact O-CG1 3.49Å; T552-I556 PolarHBondContact O-N 2.81Å; T552-I556 VanDerWaalsContact O-N 3.13Å; Y554-I556 PolarHBondContact O-N 3.12Å; I556-W558 PolarHBondContact O-N 2.81Å; I556-W558 VanDerWaalsContact O-N 3.09Å; I556-H559 HydrophobicContact CB-CB 4.5Å; I556-H559 WeakPolarHBondContact O-CB 3.48Å; I556-H559 PolarHBondContact O-N 3.46Å; I556-M562 HydrophobicContact CB-CB 4.38Å; I556-M562 HydrophobicContact CB-SD 4Å; I556-M562 HydrophobicContact CD1-CB 3.87Å; I556-M562 HydrophobicContact CD1-CE 3.78Å; I556-M562 HydrophobicContact CD1-SD 4.06Å; I556-M562 HydrophobicContact CG1-CB 4.5Å; I556-M562 HydrophobicContact CG2-CE 4.22Å; I556-M562 HydrophobicContact CG2-SD 3.78Å
557R85.1Confident81.5Confident30 Ų3056.1 Ų56.111%0.11327%0.274CS..THydrogen-bonded Turntrans-60.1-24.6-175.774.4-169.3170.2174.86.2114.5D482 A553 Y554D482-R557 IonicContact OD1-CZ 3.39Å; D482-R557 IonicContact OD1-NH1 3.96Å; D482-R557 PolarHBondContact OD1-NH1 3.03Å; D482-R557 IonicContact OD1-NH2 2.91Å; D482-R557 PolarHBondContact OD1-NH2 2.94Å; D482-R557 IonicContact OD2-NH1 2.91Å; A553-R557 VanDerWaalsContact O-CB 3.27Å; A553-R557 WeakPolarHBondContact O-CB 3.47Å; Y554-R557 WeakPolarHBondContact O-CD 3.38Å; Y554-R557 VanDerWaalsContact O-CG 3.22Å; Y554-R557 WeakPolarHBondContact O-CG 3.48Å; Y554-R557 PolarHBondContact O-NE 3.47Å
558W82Confident79.7Confident88 Ų8853.2 Ų53.233%0.33326%0.262SS..THydrogen-bonded Turntrans-90.9-10.4178.5-53.7121.6000113.2D103 R105 F322 I556 P560D103-W558 PolarHBondContact O-NE1 2.94Å; R105-W558 HydrophobicContact CG-CB 3.76Å; R105-W558 HydrophobicContact CG-CD2 3.89Å; R105-W558 HydrophobicContact CG-CG 3.42Å; R105-W558 VanDerWaalsContact CG-CG 3.42Å; F322-W558 HydrophobicContact CZ-CB 4.37Å; I556-W558 PolarHBondContact O-N 2.81Å; I556-W558 VanDerWaalsContact O-N 3.09Å; W558-P560 WeakPolarHBondContact O-CD 3.24Å
559H78.3Confident77.9Confident1 Ų154 Ų541%0.00527%0.27CS..  trans-80.4116.9-179.9-165.9-77000110.2C321 F322 P323 P325 I556 L561 M562 R563C321-H559 PolarHBondContact O-CD2 3.21Å; F322-H559 HydrophobicContact CE1-CB 4.08Å; F322-H559 AromaticContact CE1-CD2 3.91Å; F322-H559 HydrophobicContact CZ-CB 4.22Å; P323-H559 PolarHBondContact O-NE2 2.88Å; P325-H559 VanDerWaalsContact CD-NE2 3.33Å; P325-H559 WeakPolarHBondContact CD-NE2 3.03Å; I556-H559 HydrophobicContact CB-CB 4.5Å; I556-H559 WeakPolarHBondContact O-CB 3.48Å; I556-H559 PolarHBondContact O-N 3.46Å; H559-L561 VanDerWaalsContact C-N 3.28Å; H559-L561 PolarHBondContact ND1-N 3.31Å; H559-L561 PolarHBondContact O-N 3.26Å; H559-M562 HydrophobicContact CB-CB 4.21Å; H559-M562 HydrophobicContact CB-CG 4.36Å; H559-M562 HydrophobicContact CB-SD 4.4Å; H559-M562 WeakPolarHBondContact ND1-CG 3.18Å; H559-M562 PolarHBondContact ND1-N 3.13Å; H559-M562 PolarHBondContact O-N 3.33Å; H559-R563 WeakPolarHBondContact O-CB 3.13Å; H559-R563 PolarHBondContact O-N 2.74Å; H559-R563 VanDerWaalsContact O-N 3.11Å
560P69.8Low76.1Confident67 Ų6756.5 Ų56.544%0.43528%0.275SS..THydrogen-bonded Turntrans-64.9-30.3-171.224.4-33.7000113.4Y32 W558Y32-P560 VanDerWaalsContact CD2-CD 3.46Å; Y32-P560 HydrophobicContact CD2-CG 4.02Å; W558-P560 WeakPolarHBondContact O-CD 3.24Å
561L69Low74.4Confident121 Ų12160.5 Ų60.563%0.63429%0.289SS*.THydrogen-bonded Turntrans-88.7-21.2-178.1-53.6175.3000113.9L324 H559L324-L561 HydrophobicContact CD2-CD1 3.76Å; H559-L561 VanDerWaalsContact C-N 3.28Å; H559-L561 PolarHBondContact ND1-N 3.31Å; H559-L561 PolarHBondContact O-N 3.26Å
562M73.8Confident73Confident56 Ų5662 Ų6228%0.27630%0.297SS..THydrogen-bonded Turntrans-103.5-12-176.7-58.4179.190.600112.9P325 W330 I556 H559 L564P325-M562 HydrophobicContact CB-CE 4.42Å; P325-M562 HydrophobicContact CB-SD 4.32Å; P325-M562 HydrophobicContact CG-CE 3.85Å; P325-M562 HydrophobicContact CG-CG 4.04Å; P325-M562 HydrophobicContact CG-SD 3.19Å; P325-M562 WeakPolarHBondContact CG-SD 3.36Å; W330-M562 HydrophobicContact CE3-CE 4.5Å; W330-M562 HydrophobicContact CH2-CE 3.71Å; W330-M562 HydrophobicContact CH2-SD 4.49Å; W330-M562 HydrophobicContact CZ2-CE 3.86Å; W330-M562 HydrophobicContact CZ3-CE 4.03Å; I556-M562 HydrophobicContact CB-CB 4.38Å; I556-M562 HydrophobicContact CB-SD 4Å; I556-M562 HydrophobicContact CD1-CB 3.87Å; I556-M562 HydrophobicContact CD1-CE 3.78Å; I556-M562 HydrophobicContact CD1-SD 4.06Å; I556-M562 HydrophobicContact CG1-CB 4.5Å; I556-M562 HydrophobicContact CG2-CE 4.22Å; I556-M562 HydrophobicContact CG2-SD 3.78Å; H559-M562 HydrophobicContact CB-CB 4.21Å; H559-M562 HydrophobicContact CB-CG 4.36Å; H559-M562 HydrophobicContact CB-SD 4.4Å; H559-M562 WeakPolarHBondContact ND1-CG 3.18Å; H559-M562 PolarHBondContact ND1-N 3.13Å; H559-M562 PolarHBondContact O-N 3.33Å; M562-L564 PolarHBondContact O-N 3.4Å
563R69Low71.9Confident135 Ų13565.1 Ų65.151%0.50930%0.302SS..SBendtrans-64.3131.6177.6-174.1-177.4176.91754.9109.9H559 Q565H559-R563 WeakPolarHBondContact O-CB 3.13Å; H559-R563 PolarHBondContact O-N 2.74Å; H559-R563 VanDerWaalsContact O-N 3.11Å; R563-Q565 PolarHBondContact O-N 2.94Å
564L65.2Low71.1Confident93 Ų9366.3 Ų66.349%0.48731%0.311SS..  trans-56.8136.6171.6-64.1174.1000110.9M562 E566M562-L564 PolarHBondContact O-N 3.4Å; L564-E566 PolarHBondContact O-N 3.27Å
565Q58.2Low70.2Confident118 Ų11870.4 Ų70.455%0.55133%0.333SS*.SBendtrans-55.5-39177-75.3176.417.600111.9S65 F66 R563S65-Q565 VanDerWaalsContact CB-NE2 3.33Å; S65-Q565 PolarHBondContact OG-NE2 2.95Å; F66-Q565 HydrophobicContact CD1-CG 4.27Å; F66-Q565 HydrophobicContact CD2-CG 4.36Å; F66-Q565 HydrophobicContact CE1-CB 4.26Å; F66-Q565 HydrophobicContact CE1-CG 3.64Å; F66-Q565 HydrophobicContact CE2-CG 3.74Å; F66-Q565 HydrophobicContact CZ-CB 4.37Å; F66-Q565 HydrophobicContact CZ-CG 3.35Å; R563-Q565 PolarHBondContact O-N 2.94Å
566E59.8Low69.3Low92 Ų9272.5 Ų72.543%0.4334%0.344SS..SBendtrans-109.6111.9173.9-165175.6-150.800111L564 R570 R571L564-E566 PolarHBondContact O-N 3.27Å; E566-R570 HydrophobicContact CG-CB 4.12Å; E566-R571 HydrophobicContact CG-CG 4.29Å; E566-R571 PolarHBondContact O-NH2 2.8Å; E566-R571 WeakPolarHBondContact OE2-CG 3.29Å; E566-R571 IonicContact OE2-NE 2.83Å
567P64Low68.8Low28 Ų2877.7 Ų77.718%0.18237%0.371CS..  trans-59.6139.1174.1-21.132.3000110.9A569 R570P567-A569 PolarHBondContact O-N 2.88Å; P567-A569 VanDerWaalsContact O-N 3.15Å; P567-R570 PolarHBondContact O-N 3.25Å
568I59.3Low68.6Low48 Ų4881.5 Ų81.525%0.24639%0.392CS..Hα-helixtrans-50.8-41.1178.4-70165.3000111.5E474 A553 R570 R571 E572E474-I568 WeakPolarHBondContact OE2-CD1 3.44Å; A553-I568 HydrophobicContact CB-CD1 3.84Å; I568-R570 PolarHBondContact O-N 3.29Å; I568-R570 VanDerWaalsContact O-N 3.1Å; I568-R571 WeakPolarHBondContact O-CB 3.45Å; I568-R571 PolarHBondContact O-N 3.41Å; I568-E572 HydrophobicContact CG2-CG 4.31Å; I568-E572 PolarHBondContact O-N 3.32Å; I568-E572 VanDerWaalsContact O-N 3.12Å
569A59.8Low68.4Low29 Ų2980.1 Ų80.124%0.2439%0.39CS..Hα-helixtrans-57.6-26176.600000115.1P567 R573P567-A569 PolarHBondContact O-N 2.88Å; P567-A569 VanDerWaalsContact O-N 3.15Å; A569-R573 WeakPolarHBondContact O-CG 3.27Å; A569-R573 PolarHBondContact O-N 3.22Å
570R60.4Low68.4Low153 Ų15385.9 Ų85.958%0.57742%0.415SS*.Hα-helixtrans-73.7-40.1173.1-73.3-167.6-154.5157.48.9111.7E566 P567 I568 R573 A574E566-R570 HydrophobicContact CG-CB 4.12Å; P567-R570 PolarHBondContact O-N 3.25Å; I568-R570 PolarHBondContact O-N 3.29Å; I568-R570 VanDerWaalsContact O-N 3.1Å; R570-R573 PolarHBondContact O-N 3.23Å; R570-A574 PolarHBondContact O-N 2.99Å
571R60.1Low69.1Low112 Ų11289.5 Ų89.542%0.42342%0.42SS..Hα-helixtrans-64.2-44.7179-74.5-176.2-98.8166.7-5.8111.5E566 I568 R573 A574 L575E566-R571 HydrophobicContact CG-CG 4.29Å; E566-R571 PolarHBondContact O-NH2 2.8Å; E566-R571 WeakPolarHBondContact OE2-CG 3.29Å; E566-R571 IonicContact OE2-NE 2.83Å; I568-R571 WeakPolarHBondContact O-CB 3.45Å; I568-R571 PolarHBondContact O-N 3.41Å; R571-R573 PolarHBondContact O-N 2.83Å; R571-A574 PolarHBondContact O-N 2.91Å; R571-L575 WeakPolarHBondContact O-CG 3.49Å; R571-L575 PolarHBondContact O-N 2.78Å
572E66.7Low69.7Low34 Ų3490.7 Ų90.716%0.15942%0.421CS..Hα-helixtrans-61.6-43.8178.1-67.8175.5164.300112.2N473 I568 A574 L575 I576N473-E572 PolarHBondContact ND2-OE2 2.79Å; I568-E572 HydrophobicContact CG2-CG 4.31Å; I568-E572 PolarHBondContact O-N 3.32Å; I568-E572 VanDerWaalsContact O-N 3.12Å; E572-A574 PolarHBondContact O-N 3.19Å; E572-L575 PolarHBondContact O-N 3.22Å; E572-I576 VanDerWaalsContact O-CG1 3.31Å; E572-I576 WeakPolarHBondContact O-CG1 3.4Å; E572-I576 PolarHBondContact O-N 2.99Å
573R68Low70Confident126 Ų12695.7 Ų95.748%0.47544%0.436SS..Hα-helixtrans-60.6-43.2176.4-74.9177.6-176.3-174.4-0.6112.7A569 R570 R571 L575 I576 L577A569-R573 WeakPolarHBondContact O-CG 3.27Å; A569-R573 PolarHBondContact O-N 3.22Å; R570-R573 PolarHBondContact O-N 3.23Å; R571-R573 PolarHBondContact O-N 2.83Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-I576 PolarHBondContact O-N 3.46Å; R573-L577 WeakPolarHBondContact O-CG 3.43Å; R573-L577 PolarHBondContact O-N 3.36Å; R573-L577 VanDerWaalsContact O-N 3.09Å
574A71.8Confident70.9Confident48 Ų4893.3 Ų93.340%0.39743%0.431SS..Hα-helixtrans-62.5-42.7176.900000111.2R570 R571 E572 L577 I578R570-A574 PolarHBondContact O-N 2.99Å; R571-A574 PolarHBondContact O-N 2.91Å; E572-A574 PolarHBondContact O-N 3.19Å; A574-L577 PolarHBondContact O-N 3.46Å; A574-I578 VanDerWaalsContact O-CG1 3.26Å; A574-I578 WeakPolarHBondContact O-CG1 3.45Å; A574-I578 PolarHBondContact O-N 2.86Å
575L73.4Confident71.8Confident88 Ų8893.1 Ų93.146%0.46143%0.43SS..Hα-helixtrans-62.6-43.8175.6-74.4166.4000112.5P526 R571 E572 R573 L577 I578 M579P526-L575 HydrophobicContact CG-CB 4.31Å; R571-L575 WeakPolarHBondContact O-CG 3.49Å; R571-L575 PolarHBondContact O-N 2.78Å; E572-L575 PolarHBondContact O-N 3.22Å; R573-L575 VanDerWaalsContact C-N 3.33Å; L575-L577 VanDerWaalsContact C-N 3.31Å; L575-L577 PolarHBondContact O-N 3.09Å; L575-I578 PolarHBondContact O-N 3.46Å; L575-M579 WeakPolarHBondContact O-CB 3.44Å; L575-M579 WeakPolarHBondContact O-CG 3.32Å; L575-M579 PolarHBondContact O-N 2.94Å
576I74.3Confident73.1Confident44 Ų4489.9 Ų89.923%0.22642%0.419CS..Hα-helixtrans-57.5-46.1175.6-69.2164.1000110.5P526 E572 R573 M579 K580P526-I576 HydrophobicContact CB-CG1 3.74Å; P526-I576 HydrophobicContact CG-CG1 3.91Å; E572-I576 VanDerWaalsContact O-CG1 3.31Å; E572-I576 WeakPolarHBondContact O-CG1 3.4Å; E572-I576 PolarHBondContact O-N 2.99Å; R573-I576 PolarHBondContact O-N 3.46Å; I576-M579 PolarHBondContact O-N 3.48Å; I576-K580 WeakPolarHBondContact O-CB 3.45Å; I576-K580 PolarHBondContact O-N 3.17Å
577L78.1Confident74.2Confident120 Ų12087.2 Ų87.263%0.62841%0.412SS*.Hα-helixtrans-63.8-42.5178.7-71.7169.2000112R573 A574 L575 R581R573-L577 WeakPolarHBondContact O-CG 3.43Å; R573-L577 PolarHBondContact O-N 3.36Å; R573-L577 VanDerWaalsContact O-N 3.09Å; A574-L577 PolarHBondContact O-N 3.46Å; L575-L577 VanDerWaalsContact C-N 3.31Å; L575-L577 PolarHBondContact O-N 3.09Å; L577-R581 WeakPolarHBondContact O-CB 3.4Å; L577-R581 PolarHBondContact O-N 3.37Å
578I80.4Confident75.1Confident110 Ų11088 Ų8856%0.56442%0.421SS*.Hα-helixtrans-63.2-46.2176-68.9165000110.7A574 L575 R581 F582A574-I578 VanDerWaalsContact O-CG1 3.26Å; A574-I578 WeakPolarHBondContact O-CG1 3.45Å; A574-I578 PolarHBondContact O-N 2.86Å; L575-I578 PolarHBondContact O-N 3.46Å; I578-R581 WeakPolarHBondContact O-CB 3.37Å; I578-R581 PolarHBondContact O-N 3.43Å; I578-F582 WeakPolarHBondContact O-CB 3.43Å; I578-F582 PolarHBondContact O-N 3.27Å
579M77Confident76.4Confident59 Ų5989.4 Ų89.429%0.29143%0.432SS..Hα-helixtrans-66.2-40179.9-74-174.967.900112.2P526 L575 I576 R581 F582 R583P526-M579 HydrophobicContact CB-SD 3.6Å; P526-M579 WeakPolarHBondContact O-CE 3.42Å; L575-M579 WeakPolarHBondContact O-CB 3.44Å; L575-M579 WeakPolarHBondContact O-CG 3.32Å; L575-M579 PolarHBondContact O-N 2.94Å; I576-M579 PolarHBondContact O-N 3.48Å; M579-R581 VanDerWaalsContact C-N 3.32Å; M579-R581 PolarHBondContact O-N 3.47Å; M579-F582 PolarHBondContact O-N 2.89Å; M579-R583 WeakPolarHBondContact O-CG 3.42Å; M579-R583 PolarHBondContact O-N 3.42Å
580K79.5Confident77.4Confident122 Ų12294.1 Ų94.153%0.5345%0.449SS..Hα-helixtrans-58.1-47.6172.3-176179.4177-1790110.4I576 F582 R583 E584I576-K580 WeakPolarHBondContact O-CB 3.45Å; I576-K580 PolarHBondContact O-N 3.17Å; K580-F582 VanDerWaalsContact C-N 3.34Å; K580-F582 PolarHBondContact O-N 2.84Å; K580-R583 PolarHBondContact O-N 3.08Å; K580-E584 VanDerWaalsContact CE-OE1 3.31Å; K580-E584 WeakPolarHBondContact CE-OE1 3.21Å; K580-E584 WeakPolarHBondContact O-CG 3.34Å; K580-E584 PolarHBondContact O-N 3Å
581R82.7Confident78.5Confident144 Ų14496 Ų9654%0.54346%0.456SS..Hα-helixtrans-62.4-40.5177.8-174.456.9174.7179.50.8112.5L577 I578 M579 E584 L585L577-R581 WeakPolarHBondContact O-CB 3.4Å; L577-R581 PolarHBondContact O-N 3.37Å; I578-R581 WeakPolarHBondContact O-CB 3.37Å; I578-R581 PolarHBondContact O-N 3.43Å; M579-R581 VanDerWaalsContact C-N 3.32Å; M579-R581 PolarHBondContact O-N 3.47Å; R581-E584 IonicContact NH1-OE2 3.05Å; R581-E584 PolarHBondContact NH1-OE2 2.94Å; R581-E584 PolarHBondContact O-N 3.02Å; R581-L585 HydrophobicContact CG-CD1 4.17Å; R581-L585 WeakPolarHBondContact O-CG 3.36Å; R581-L585 PolarHBondContact O-N 3.19Å
582F82Confident79.4Confident145 Ų14596.9 Ų96.964%0.63647%0.465SS*.Hα-helixtrans-64.5-41.9177.5-170.5-94.3000112I578 M579 K580 L585 T586I578-F582 WeakPolarHBondContact O-CB 3.43Å; I578-F582 PolarHBondContact O-N 3.27Å; M579-F582 PolarHBondContact O-N 2.89Å; K580-F582 VanDerWaalsContact C-N 3.34Å; K580-F582 PolarHBondContact O-N 2.84Å; F582-L585 PolarHBondContact O-N 2.81Å; F582-T586 WeakPolarHBondContact O-CB 3.45Å; F582-T586 PolarHBondContact O-N 3.28Å; F582-T586 PolarHBondContact O-OG1 3.41Å
583R81.5Confident79.6Confident161 Ų161100.4 Ų100.461%0.60849%0.492SS*.Hα-helixtrans-62.6-43.1174.2-71.8178.6-169.7150.12.8111.9M579 K580 T586 A587M579-R583 WeakPolarHBondContact O-CG 3.42Å; M579-R583 PolarHBondContact O-N 3.42Å; K580-R583 PolarHBondContact O-N 3.08Å; R583-T586 PolarHBondContact O-N 3.37Å; R583-A587 WeakPolarHBondContact O-CB 3.16Å; R583-A587 PolarHBondContact O-N 3.41Å
584E85.9Confident79.6Confident86 Ų86100.1 Ų100.140%0.40250%0.504SS..Hα-helixtrans-59.6-45.9175.3-72.8169.8-173.200111.8K580 R581 A587 A588K580-E584 VanDerWaalsContact CE-OE1 3.31Å; K580-E584 WeakPolarHBondContact CE-OE1 3.21Å; K580-E584 WeakPolarHBondContact O-CG 3.34Å; K580-E584 PolarHBondContact O-N 3Å; R581-E584 IonicContact NH1-OE2 3.05Å; R581-E584 PolarHBondContact NH1-OE2 2.94Å; R581-E584 PolarHBondContact O-N 3.02Å; E584-A587 PolarHBondContact O-N 3.01Å; E584-A588 WeakPolarHBondContact O-CB 3.36Å; E584-A588 PolarHBondContact O-N 3.39Å
585L86.1Confident78.9Confident88 Ų88105.1 Ų105.146%0.46152%0.517SS..Hα-helixtrans-66.1-40.6177.6-71.7169.9000112.2R581 F582 A588 T589R581-L585 HydrophobicContact CG-CD1 4.17Å; R581-L585 WeakPolarHBondContact O-CG 3.36Å; R581-L585 PolarHBondContact O-N 3.19Å; F582-L585 PolarHBondContact O-N 2.81Å; L585-A588 PolarHBondContact O-N 2.88Å; L585-T589 WeakPolarHBondContact O-CB 3.49Å; L585-T589 PolarHBondContact O-N 2.88Å; L585-T589 PolarHBondContact O-OG1 3.5Å
586T84.8Confident77.9Confident51 Ų51106.2 Ų106.231%0.31353%0.529SS..Hα-helixtrans-63.8-45.8176.8-55.70000110.7F582 R583 A588 T589 Q590F582-T586 WeakPolarHBondContact O-CB 3.45Å; F582-T586 PolarHBondContact O-N 3.28Å; F582-T586 PolarHBondContact O-OG1 3.41Å; R583-T586 PolarHBondContact O-N 3.37Å; T586-A588 VanDerWaalsContact C-N 3.33Å; T586-A588 PolarHBondContact O-N 3.14Å; T586-T589 PolarHBondContact O-N 3.44Å; T586-Q590 WeakPolarHBondContact O-CB 3.48Å; T586-Q590 WeakPolarHBondContact O-CG 3.46Å; T586-Q590 PolarHBondContact O-N 3.44Å
587A82.9Confident76.9Confident36 Ų36110.1 Ų110.130%0.29856%0.555SS.*Hα-helixtrans-63.6-37.3176.100000112.2R583 E584 R591R583-A587 WeakPolarHBondContact O-CB 3.16Å; R583-A587 PolarHBondContact O-N 3.41Å; E584-A587 PolarHBondContact O-N 3.01Å; A587-R591 VanDerWaalsContact O-CG 3.28Å; A587-R591 WeakPolarHBondContact O-CG 3.49Å; A587-R591 PolarHBondContact O-N 3.21Å; A587-R591 VanDerWaalsContact O-N 3.15Å
588A83.5Confident75.4Confident43 Ų43112.1 Ų112.136%0.35557%0.566SS.*Hα-helixtrans-64.8-45.5173.800000111.8E584 L585 T586 Q590 R591 E592E584-A588 WeakPolarHBondContact O-CB 3.36Å; E584-A588 PolarHBondContact O-N 3.39Å; L585-A588 PolarHBondContact O-N 2.88Å; T586-A588 VanDerWaalsContact C-N 3.33Å; T586-A588 PolarHBondContact O-N 3.14Å; A588-Q590 PolarHBondContact O-N 3.14Å; A588-R591 WeakPolarHBondContact O-CB 3.09Å; A588-R591 PolarHBondContact O-N 3.38Å; A588-R591 VanDerWaalsContact O-N 3.14Å; A588-E592 PolarHBondContact O-N 3.38Å
589T84.6Confident73.7Confident78 Ų78112.9 Ų112.948%0.47957%0.571SS.*Hα-helixtrans-62.7-43.4178.5-50.50000111.3L585 T586 R591 E592 C593L585-T589 WeakPolarHBondContact O-CB 3.49Å; L585-T589 PolarHBondContact O-N 2.88Å; L585-T589 PolarHBondContact O-OG1 3.5Å; T586-T589 PolarHBondContact O-N 3.44Å; T589-R591 VanDerWaalsContact C-N 3.28Å; T589-R591 PolarHBondContact O-N 3.46Å; T589-E592 PolarHBondContact O-N 3.05Å; T589-E592 VanDerWaalsContact O-N 3.1Å; T589-C593 PolarHBondContact O-N 2.96Å; T589-C593 PolarHBondContact O-SG 3.34Å
590Q82.3Confident71.9Confident128 Ų128118 Ų11860%0.59860%0.599SS**Hα-helixtrans-60.9-36.1174.9-74.8176.2-12.500112.3T586 A588 V594T586-Q590 WeakPolarHBondContact O-CB 3.48Å; T586-Q590 WeakPolarHBondContact O-CG 3.46Å; T586-Q590 PolarHBondContact O-N 3.44Å; A588-Q590 PolarHBondContact O-N 3.14Å; Q590-V594 VanDerWaalsContact O-CG2 3.3Å; Q590-V594 WeakPolarHBondContact O-CG2 3.48Å
591R82Confident70.1Confident194 Ų194118.1 Ų118.173%0.73261%0.61SS**Hα-helixtrans-69.5-32.5174-70.7171.3-171-178.32.9112.7A587 A588 T589A587-R591 VanDerWaalsContact O-CG 3.28Å; A587-R591 WeakPolarHBondContact O-CG 3.49Å; A587-R591 PolarHBondContact O-N 3.21Å; A587-R591 VanDerWaalsContact O-N 3.15Å; A588-R591 WeakPolarHBondContact O-CB 3.09Å; A588-R591 PolarHBondContact O-N 3.38Å; A588-R591 VanDerWaalsContact O-N 3.14Å; T589-R591 VanDerWaalsContact C-N 3.28Å; T589-R591 PolarHBondContact O-N 3.46Å
592E79.1Confident67.8Low130 Ų130115 Ų11561%0.60761%0.61SS**Hα-helixtrans-74.1-40.2177.7-73.7-177.6170.900112.5A588 T589 V594 K595A588-E592 PolarHBondContact O-N 3.38Å; T589-E592 PolarHBondContact O-N 3.05Å; T589-E592 VanDerWaalsContact O-N 3.1Å; E592-V594 PolarHBondContact O-N 3.41Å; E592-K595 WeakPolarHBondContact O-CB 3.41Å; E592-K595 PolarHBondContact O-N 3.03Å; E592-K595 VanDerWaalsContact O-N 3.12Å
593C72.3Confident65.6Low107 Ų107114.2 Ų114.272%0.72361%0.613SS**Hα-helixtrans-64.4-21176.3-68.60000113.9T589 K595T589-C593 PolarHBondContact O-N 2.96Å; T589-C593 PolarHBondContact O-SG 3.34Å; C593-K595 VanDerWaalsContact C-N 3.34Å
594V67.4Low63.2Low120 Ų120113.2 Ų113.273%0.72762%0.619SS**THydrogen-bonded Turntrans-85.6-5.6178.11780000112.3Q590 E592 P596Q590-V594 VanDerWaalsContact O-CG2 3.3Å; Q590-V594 WeakPolarHBondContact O-CG2 3.48Å; E592-V594 PolarHBondContact O-N 3.41Å; V594-P596 WeakPolarHBondContact O-CD 3.42Å
595K57Low60.7Low153 Ų153113.3 Ų113.367%0.66563%0.63SS**SBendtrans-74118.2175.1-70.1-176.8179175.30110E592 C593 T597E592-K595 WeakPolarHBondContact O-CB 3.41Å; E592-K595 PolarHBondContact O-N 3.03Å; E592-K595 VanDerWaalsContact O-N 3.12Å; C593-K595 VanDerWaalsContact C-N 3.34Å; K595-T597 PolarHBondContact O-N 3.34Å
596P53.3Low58.2Low111 Ų111114.7 Ų114.772%0.72164%0.642SS**  trans-63.7131.6179.225.2-31.7000109.9V594 L598V594-P596 WeakPolarHBondContact O-CD 3.42Å; P596-L598 PolarHBondContact O-N 3.3Å
597T51.6Low55.8Low126 Ų126120 Ų12077%0.77366%0.663SS**  trans-66.195.8174.8-17.10000108.2K595 N599K595-T597 PolarHBondContact O-N 3.34Å; T597-N599 PolarHBondContact O-N 2.91Å
598L48.5Very low53.4Low163 Ų163122.5 Ų122.585%0.85368%0.678SS**  trans-72.871.2170.2-88.3154.8000109.3P596P596-L598 PolarHBondContact O-N 3.3Å
599N43Very low51.1Low125 Ų125131.3 Ų131.367%0.66870%0.702SS**  trans-101.394.6160.7-85.1-5.2000107.6T597T597-N599 PolarHBondContact O-N 2.91Å
600N39.3Very low48.6Very low167 Ų167132 Ų13289%0.89371%0.711SS**  trans-159.886136.5-93.8-15.9000107.6S602N600-S602 PolarHBondContact O-N 3.05Å
601V41.9Very low46.3Very low125 Ų125136.8 Ų136.876%0.75872%0.723SS**  trans-57.8114.9168.4167.30000108
602S35.3Very low43.9Very low78 Ų78131.7 Ų131.755%0.54572%0.717SS.*  trans42122.4134.473.70000117.6N600N600-S602 PolarHBondContact O-N 3.05Å
603D35.1Very low41.7Very low129 Ų129132.8 Ų132.869%0.6973%0.727SS**  160.6147.281.9-107.2-22.8000110.9
604N32.4Very low39.8Very low139 Ų139132.3 Ų132.374%0.74373%0.725SS**  trans68133.6150.9-64.6-26.7000116.6
605S33Very low38Very low89 Ų89131.4 Ų131.462%0.62272%0.724SS**  cis176.8142.59.139.50000106
606T32.3Very low36.7Very low116 Ų116133.6 Ų133.671%0.71273%0.733SS**  trans67139.1140.255.50000121.7
607H35.5Very low36Very low164 Ų164140 Ų14076%0.75976%0.759SS**  trans96.587.2149.3-74.2-56.8000119.7
608S32.6Very low35.2Very low88 Ų88140.7 Ų140.762%0.61576%0.758SS**  67144.3106.872.30000121.4
609R34.3Very low34.5Very low227 Ų227139.5 Ų139.586%0.85775%0.753SS**  trans85.2103.4159.3-70.8178.2173.8177-1.5115
610S31.7Very low34Very low94 Ų94140.3 Ų140.366%0.65776%0.758SS**  86.1140.272.874.20000113.7
611R34.4Very low33.7Very low228 Ų228138.8 Ų138.886%0.8675%0.75SS**  trans84.3106.9163.7-68.9-178174.8-178.5-2.4115
612S31.1Very low33.2Very low87 Ų87139.6 Ų139.661%0.60875%0.75SS**  83.9136.967.172.90000112.8
613N32.8Very low33.1Very low152 Ų152143.7 Ų143.781%0.81376%0.763SS**  trans76.5141.7166.2-63-9.1000114.2
614S32.9Very low32.9Very low98 Ų98144.8 Ų144.869%0.68577%0.768SS**  cis-177.2148.71.340.10000107.5
615S30.2Very low33Very low100 Ų100145.2 Ų145.270%0.69977%0.77SS**  trans39126.3143.161.70000121.9
616K29.7Very low33Very low200 Ų200149.9 Ų149.987%0.8778%0.783SS**  42.7117.8129.1-65-177.7174.8-1780117.8
617I38.3Very low33Very low245 Ų245153 Ų153100%1.25679%0.789SS**  -150.5095.5-89157.9000107.1

Retrieved 617 of 617 residues in 1134.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).