A0A087XLW8_POEFO Loading...

TBC1 domain family member 9

May act as a GTPase-activating protein for Rab family protein(s).

AlphaFold DB , UniProt , Accession A0A087XLW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,276 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.4Confident72.7Confident96 Ų9678.2 Ų78.247%0.47341%0.407SS..  0150.70-83.4-168.6-77.300110.9A76 H77 E83 H87M1-A76 WeakPolarHBondContact O-CA 3.32Å; M1-H77 WeakPolarHBondContact CB-NE2 3.49Å; M1-H77 PolarHBondContact N-O 2.83Å; M1-H77 PolarHBondContact O-CD2 2.82Å; M1-H77 VanDerWaalsContact O-CD2 3.29Å; M1-H77 PolarHBondContact O-N 2.83Å; M1-E83 PolarHBondContact N-OE1 2.98Å; M1-H87 WeakPolarHBondContact CA-NE2 3.22Å; M1-H87 PolarHBondContact N-CD2 3.33Å; M1-H87 PolarHBondContact N-NE2 2.75Å
2W83Confident71.3Confident34 Ų3475.5 Ų75.513%0.12941%0.412CS..EExtended strand (participates in β ladder)trans-81.9150.3173-61.299.9000111.4A76 H87 W90 L91 V116 I119 I120W2-A76 HydrophobicContact CE3-CB 4.05Å; W2-A76 HydrophobicContact CZ3-CB 4.39Å; W2-H87 AromaticContact CE2-ND1 3.63Å; W2-H87 HydrophobicContact CZ2-CB 4.39Å; W2-H87 AromaticContact CZ2-ND1 3.88Å; W2-H87 AromaticContact NE1-CE1 3.71Å; W2-H87 AromaticContact NE1-ND1 3.47Å; W2-H87 PolarHBondContact NE1-ND1 3.29Å; W2-W90 HydrophobicContact CH2-CD2 4.47Å; W2-W90 AromaticContact CH2-CE3 3.75Å; W2-W90 HydrophobicContact CH2-CE3 3.75Å; W2-W90 HydrophobicContact CH2-CZ3 4.34Å; W2-W90 HydrophobicContact CZ2-CB 4.48Å; W2-W90 HydrophobicContact CZ2-CD2 4.16Å; W2-W90 AromaticContact CZ2-CE3 3.87Å; W2-W90 HydrophobicContact CZ2-CE3 3.87Å; W2-W90 HydrophobicContact CZ2-CG 4.41Å; W2-L91 HydrophobicContact CH2-CD1 4.41Å; W2-L91 HydrophobicContact CH2-CD2 3.69Å; W2-L91 HydrophobicContact CH2-CG 3.8Å; W2-L91 HydrophobicContact CZ3-CD1 4.39Å; W2-L91 HydrophobicContact CZ3-CD2 3.82Å; W2-L91 HydrophobicContact CZ3-CG 4.15Å; W2-V116 HydrophobicContact CE3-CG1 4.29Å; W2-V116 HydrophobicContact CE3-CG2 4.43Å; W2-V116 HydrophobicContact CZ3-CG2 4.36Å; W2-I119 HydrophobicContact CD2-CG2 4.24Å; W2-I119 HydrophobicContact CG-CG2 4.04Å; W2-I119 HydrophobicContact CH2-CD1 4.32Å; W2-I119 HydrophobicContact CZ2-CD1 4.18Å; W2-I120 HydrophobicContact CB-CD1 4.19Å; W2-I120 HydrophobicContact CB-CG1 3.67Å
3V81.4Confident70.4Confident41 Ų4174.4 Ų74.425%0.24842%0.419CS..EExtended strand (participates in β ladder)trans-130.9154.4175.5-850000112.3I74 I75 H77 V116 I120V3-I74 HydrophobicContact CG2-CG2 3.78Å; V3-I75 PolarHBondContact N-O 2.93Å; V3-H77 VanDerWaalsContact CG1-CD2 3.41Å; V3-H77 WeakPolarHBondContact CG1-CD2 3.43Å; V3-V116 WeakPolarHBondContact O-CG1 3.48Å; V3-I120 WeakPolarHBondContact O-CD1 3.46Å
4I79.9Confident70.1Confident106 Ų10675.2 Ų75.254%0.54442%0.422SS..EExtended strand (participates in β ladder)trans-57.7130.2170.7-59.5175.2000107.4E6 I120I4-E6 PolarHBondContact O-N 3.13Å; I4-I120 HydrophobicContact CG1-CD1 4.42Å
5P82.6Confident70.6Confident15 Ų1571.7 Ų71.710%0.09740%0.399CS..EExtended strand (participates in β ladder)trans-58.9110.9-176-29.937.8000113.8W73 I74 I75 K113 V116P5-W73 HydrophobicContact CB-CB 4.48Å; P5-W73 HydrophobicContact CB-CE3 4.14Å; P5-I74 WeakPolarHBondContact CA-O 3.32Å; P5-I75 HydrophobicContact CB-CG2 4.43Å; P5-I75 HydrophobicContact CG-CG2 4.26Å; P5-K113 HydrophobicContact CB-CD 4.44Å; P5-K113 HydrophobicContact CB-CG 3.93Å; P5-K113 HydrophobicContact CG-CB 4.32Å; P5-K113 HydrophobicContact CG-CG 3.92Å; P5-V116 HydrophobicContact CG-CB 4.4Å; P5-V116 HydrophobicContact CG-CG1 4.25Å
6E76.9Confident71.2Confident127 Ų12771.4 Ų71.459%0.59340%0.396SS*.EExtended strand (participates in β ladder)trans-113.6137.1-177.6-78.3177.1-175.900112.4I4 W73 I74I4-E6 PolarHBondContact O-N 3.13Å; E6-W73 CarbonylContact O-C 3.51Å; E6-W73 VanDerWaalsContact O-CA 3.3Å; E6-W73 WeakPolarHBondContact O-CA 3.4Å; E6-I74 PolarHBondContact N-O 3.18Å; E6-I74 PolarHBondContact O-N 3.48Å
7D77Confident72.1Confident100 Ų10071.5 Ų71.554%0.53540%0.399SS..EExtended strand (participates in β ladder)trans-65.6136.8-179.3-80.8-65.7000113.9V71 W73D7-V71 WeakPolarHBondContact OD1-CG1 3.37Å; D7-W73 HydrophobicContact CB-CZ3 4.46Å; D7-W73 VanDerWaalsContact CG-CZ3 3.47Å; D7-W73 WeakPolarHBondContact OD1-CH2 3.43Å; D7-W73 WeakPolarHBondContact OD1-CZ2 3.4Å; D7-W73 WeakPolarHBondContact OD2-CH2 3.4Å; D7-W73 VanDerWaalsContact OD2-CZ3 3.3Å; D7-W73 WeakPolarHBondContact OD2-CZ3 3.38Å
8V73.8Confident72.8Confident22 Ų2270.3 Ų70.313%0.13339%0.39CS..EExtended strand (participates in β ladder)trans-131.3115.6174.3174.80000111.3L10 Y72 I74V8-L10 VanDerWaalsContact C-N 3.35Å; V8-L10 WeakPolarHBondContact CG1-O 3.27Å; V8-L10 PolarHBondContact O-N 2.92Å; V8-Y72 PolarHBondContact N-O 2.86Å; V8-I74 HydrophobicContact CG2-CD1 3.61Å; V8-I74 HydrophobicContact CG2-CG1 3.53Å
9L53.8Low73.6Confident173 Ų17372.2 Ų72.291%0.90639%0.39SS*.SBendtrans-77.9-12.3-180-62.9171.8000114.5
10L57.8Low74.3Confident129 Ų12971.9 Ų71.968%0.67540%0.398SS*.  trans-144.8100.9-173.9-93.2160.9000112.1V8V8-L10 VanDerWaalsContact C-N 3.35Å; V8-L10 WeakPolarHBondContact CG1-O 3.27Å; V8-L10 PolarHBondContact O-N 2.92Å
11A57.2Low75Confident17 Ų1769.8 Ų69.814%0.1439%0.386CS..SBendtrans-78.2-27.3-177.300000115.1Q27 R61 L63 Y72A11-Q27 PolarHBondContact O-NE2 3.37Å; A11-Q27 PolarHBondContact O-OE1 2.75Å; A11-R61 PolarHBondContact O-NH2 3.4Å; A11-L63 HydrophobicContact CB-CD1 4.12Å; A11-Y72 HydrophobicContact CB-CD1 4.11Å; A11-Y72 HydrophobicContact CB-CD2 3.92Å; A11-Y72 HydrophobicContact CB-CE1 3.98Å; A11-Y72 HydrophobicContact CB-CE2 3.8Å; A11-Y72 HydrophobicContact CB-CG 4.09Å
12G55.3Low75.4Confident46 Ų4669.3 Ų69.347%0.47439%0.39SS..SBendtrans-113.2-10.6-161.600000118.9K30G12-K30 PolarHBondContact O-NZ 3.42Å
13A59.6Low75.6Confident61 Ų6169.1 Ų69.150%0.50439%0.39SS..SBendtrans-63.7-52.1-168.900000113.4K30A13-K30 PolarHBondContact O-NZ 3.32Å
14L66.9Low76.1Confident86 Ų8667.2 Ų67.245%0.4538%0.378SS..SBendtrans-109.88.3-174.7-61.9176000113.9K30L14-K30 PolarHBondContact O-N 2.95Å
15W76.6Confident76.6Confident22 Ų2263.3 Ų63.38%0.08336%0.358CS..EExtended strand (participates in β ladder)trans-127.9156.1-168.4-62.787.9000112Q27 R28 R29 K30 M57 A58 R61W15-Q27 HydrophobicContact CB-CB 4.25Å; W15-Q27 HydrophobicContact CE3-CB 4.04Å; W15-R28 CarbonylContact C-O 3.42Å; W15-R28 WeakPolarHBondContact CA-O 3.32Å; W15-R29 HydrophobicContact CD2-CB 4.45Å; W15-R29 HydrophobicContact CE3-CB 4Å; W15-R29 HydrophobicContact CH2-CB 4.08Å; W15-R29 HydrophobicContact CH2-CG 4.35Å; W15-R29 HydrophobicContact CZ2-CG 4.34Å; W15-R29 HydrophobicContact CZ3-CB 3.8Å; W15-R29 HydrophobicContact CZ3-CG 4.45Å; W15-K30 VanDerWaalsContact O-CE 3.22Å; W15-K30 WeakPolarHBondContact O-CE 3.44Å; W15-M57 HydrophobicContact CZ2-SD 4.34Å; W15-A58 WeakPolarHBondContact CH2-O 3.44Å; W15-R61 HydrophobicContact CD2-CG 4.48Å; W15-R61 HydrophobicContact CE3-CG 3.94Å; W15-R61 HydrophobicContact CH2-CG 4.16Å; W15-R61 HydrophobicContact CZ3-CB 4.32Å; W15-R61 HydrophobicContact CZ3-CG 3.77Å
16I81.4Confident76.9Confident68 Ų6862.6 Ų62.635%0.34935%0.354SS..EExtended strand (participates in β ladder)trans-123.2127.3176.7-52177.1000106.5Q27 R28 K30I16-Q27 CarbonylContact O-C 3.55Å; I16-Q27 WeakPolarHBondContact O-CA 3.31Å; I16-R28 PolarHBondContact N-O 3.43Å; I16-R28 PolarHBondContact O-N 3.34Å; I16-K30 HydrophobicContact CD1-CG 4.01Å; I16-K30 HydrophobicContact CG1-CG 3.58Å
17T86.1Confident77.5Confident72 Ų7256.8 Ų56.844%0.44233%0.326SS..EExtended strand (participates in β ladder)trans-75.7128.7173.4-62.40000110.1R19 A20 I25 L26 Q27T17-R19 WeakPolarHBondContact CG2-O 3.02Å; T17-A20 HydrophobicContact CG2-CB 4.16Å; T17-I25 HydrophobicContact CG2-CG2 3.56Å; T17-L26 CarbonylContact C-O 3.53Å; T17-L26 WeakPolarHBondContact CA-O 3.29Å; T17-Q27 PolarHBondContact OG1-NE2 2.94Å
18E84.9Confident77.9Confident51 Ų5153.8 Ų53.824%0.23831%0.307CS..EExtended strand (participates in β ladder)trans-101.5-36.3175.1-62.3-149.916400113.3L26 R28 R81E18-L26 HydrophobicContact CB-CD2 4.31Å; E18-L26 HydrophobicContact CB-CG 4.34Å; E18-L26 PolarHBondContact N-O 3.05Å; E18-R28 HydrophobicContact CG-CB 3.97Å; E18-R28 WeakPolarHBondContact OE1-CB 3.29Å; E18-R28 WeakPolarHBondContact OE1-CD 3.36Å; E18-R28 IonicContact OE1-CZ 3.13Å; E18-R28 IonicContact OE1-NE 3.33Å; E18-R28 PolarHBondContact OE1-NE 3.37Å; E18-R81 IonicContact OE1-NE 3.31Å; E18-R81 IonicContact OE1-NH2 3Å; E18-R81 IonicContact OE2-CZ 3.93Å; E18-R81 IonicContact OE2-NE 2.62Å; E18-R81 PolarHBondContact OE2-NE 2.82Å; E18-R81 IonicContact OE2-NH2 2.75Å; E18-R81 PolarHBondContact OE2-NH2 3.2Å
19R87.4Confident78Confident105 Ų10554.3 Ų54.340%0.39631%0.307SS..EExtended strand (participates in β ladder)trans-141.5149.8172.9-63.6-175.6-180175.42.3109.3T17 L26 W88 E89T17-R19 WeakPolarHBondContact CG2-O 3.02Å; R19-L26 HydrophobicContact CB-CB 4.06Å; R19-L26 HydrophobicContact CB-CD2 4.23Å; R19-L26 HydrophobicContact CG-CD2 4.19Å; R19-L26 PolarHBondContact N-O 3.13Å; R19-L26 PolarHBondContact O-N 2.98Å; R19-W88 HydrophobicContact CB-CD2 4.38Å; R19-W88 HydrophobicContact CB-CH2 4.1Å; R19-W88 HydrophobicContact CB-CZ2 3.89Å; R19-W88 HydrophobicContact CB-CZ3 4.43Å; R19-E89 IonicContact NH1-OE1 3.46Å; R19-E89 PolarHBondContact NH1-OE1 3.14Å
20A88.3Confident78.8Confident66 Ų6650.7 Ų50.755%0.54528%0.284SS..EExtended strand (participates in β ladder)trans-148.5145.8172.500000110.2T17 F24 I25T17-A20 HydrophobicContact CG2-CB 4.16Å; A20-F24 WeakPolarHBondContact CA-O 3.35Å; A20-I25 HydrophobicContact CB-CG1 4.29Å; A20-I25 HydrophobicContact CB-CG2 4.36Å
21N88.4Confident79Confident28 Ų2847.3 Ų47.315%0.1528%0.28CS..  trans-135.8178.416971.331.6000108.1Y23 F24 W88 E92N21-Y23 PolarHBondContact O-N 3.09Å; N21-Y23 PolarHBondContact OD1-N 2.94Å; N21-F24 PolarHBondContact N-O 3.32Å; N21-F24 PolarHBondContact O-N 2.79Å; N21-F24 PolarHBondContact OD1-N 3.21Å; N21-W88 HydrophobicContact CB-CH2 4.23Å; N21-W88 HydrophobicContact CB-CZ2 4.26Å; N21-W88 WeakPolarHBondContact ND2-CZ2 3.41Å; N21-E92 PolarHBondContact ND2-OE1 2.86Å; N21-E92 VanDerWaalsContact ND2-OE1 3.09Å
22P84.7Confident79Confident86 Ų8650.4 Ų50.456%0.55829%0.291SS*.SBendtrans-59.3-15.7-171.1-28.336.7000116.8
23Y87.3Confident79.1Confident31 Ų3151.5 Ų51.512%0.12230%0.303CS..SBendtrans-125.8-17.6-178.7-56.8-76000114.5N21 Y64 Q65 L96 L99 I108N21-Y23 PolarHBondContact O-N 3.09Å; N21-Y23 PolarHBondContact OD1-N 2.94Å; Y23-Y64 WeakPolarHBondContact O-CA 3.25Å; Y23-Y64 VanDerWaalsContact O-CD2 3.29Å; Y23-Y64 WeakPolarHBondContact O-CD2 3.22Å; Y23-Q65 VanDerWaalsContact CA-O 3.32Å; Y23-Q65 WeakPolarHBondContact CA-O 3.33Å; Y23-Q65 PolarHBondContact O-N 3.02Å; Y23-Q65 VanDerWaalsContact O-O 3.14Å; Y23-L96 HydrophobicContact CD2-CD1 3.9Å; Y23-L99 HydrophobicContact CD1-CD1 4.24Å; Y23-L99 HydrophobicContact CD2-CB 3.83Å; Y23-L99 HydrophobicContact CD2-CD1 3.81Å; Y23-L99 HydrophobicContact CD2-CG 4.45Å; Y23-L99 HydrophobicContact CE1-CB 4.42Å; Y23-L99 HydrophobicContact CE2-CB 3.64Å; Y23-L99 HydrophobicContact CE2-CD1 4.47Å; Y23-L99 HydrophobicContact CG-CB 4.29Å; Y23-L99 HydrophobicContact CG-CD1 3.66Å; Y23-I108 HydrophobicContact CD1-CG2 4.17Å; Y23-I108 HydrophobicContact CE1-CD1 3.85Å; Y23-I108 HydrophobicContact CE1-CG2 4.11Å
24F91.7Very high78.4Confident0 Ų053.6 Ų53.60%031%0.306CS..EExtended strand (participates in β ladder)trans-132.7143.5-172.6-55.4-65.9000112.7A20 N21 I62 L63 Y64 I75 W88 L91 L95 L99 V112A20-F24 WeakPolarHBondContact CA-O 3.35Å; N21-F24 PolarHBondContact N-O 3.32Å; N21-F24 PolarHBondContact O-N 2.79Å; N21-F24 PolarHBondContact OD1-N 3.21Å; F24-I62 HydrophobicContact CB-CG2 4.26Å; F24-L63 CarbonylContact C-O 3.59Å; F24-L63 VanDerWaalsContact CA-O 3.3Å; F24-L63 WeakPolarHBondContact CA-O 3.42Å; F24-Y64 HydrophobicContact CD1-CD2 4.06Å; F24-Y64 AromaticContact CE1-CD2 3.66Å; F24-Y64 HydrophobicContact CE1-CD2 3.66Å; F24-Y64 HydrophobicContact CE1-CG 4.34Å; F24-Y64 HydrophobicContact CZ-CD2 4.41Å; F24-I75 HydrophobicContact CD1-CD1 3.61Å; F24-I75 HydrophobicContact CE1-CD1 3.54Å; F24-W88 HydrophobicContact CB-CH2 4.12Å; F24-W88 HydrophobicContact CB-CZ3 3.75Å; F24-W88 WeakPolarHBondContact O-CH2 3.28Å; F24-L91 HydrophobicContact CD1-CD1 4Å; F24-L91 HydrophobicContact CD2-CB 4.13Å; F24-L91 HydrophobicContact CD2-CD1 4.45Å; F24-L91 HydrophobicContact CE1-CD1 4.24Å; F24-L91 HydrophobicContact CE1-CD2 4.02Å; F24-L91 HydrophobicContact CE2-CB 4.03Å; F24-L91 HydrophobicContact CE2-CD2 4.32Å; F24-L91 HydrophobicContact CG-CD1 4.11Å; F24-L91 HydrophobicContact CZ-CB 4.42Å; F24-L91 HydrophobicContact CZ-CD2 3.86Å; F24-L95 HydrophobicContact CE2-CB 4.45Å; F24-L95 HydrophobicContact CZ-CB 4.43Å; F24-L95 HydrophobicContact CZ-CD1 4.15Å; F24-L99 HydrophobicContact CE2-CD1 3.78Å; F24-L99 HydrophobicContact CZ-CD1 3.68Å; F24-V112 HydrophobicContact CE1-CG1 4.21Å; F24-V112 HydrophobicContact CZ-CG2 4.48Å
25I90.2Very high77.5Confident24 Ų2454.2 Ų54.212%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-133.9113.3-179.8-51.4-179.5000110.1T17 A20 Q27 I62 L63 Y72T17-I25 HydrophobicContact CG2-CG2 3.56Å; A20-I25 HydrophobicContact CB-CG1 4.29Å; A20-I25 HydrophobicContact CB-CG2 4.36Å; I25-Q27 HydrophobicContact CG2-CG 3.93Å; I25-I62 WeakPolarHBondContact O-CA 3.38Å; I25-L63 HydrophobicContact CB-CB 4.36Å; I25-L63 PolarHBondContact N-O 3.07Å; I25-L63 PolarHBondContact O-N 2.63Å; I25-Y72 HydrophobicContact CD1-CD1 4.44Å; I25-Y72 HydrophobicContact CD1-CE1 3.83Å
26L89.9Confident75.9Confident1 Ų156.1 Ų56.11%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-83.2127171.7174.962.6000110.1T17 E18 R19 I62 I84 W88T17-L26 CarbonylContact C-O 3.53Å; T17-L26 WeakPolarHBondContact CA-O 3.29Å; E18-L26 HydrophobicContact CB-CD2 4.31Å; E18-L26 HydrophobicContact CB-CG 4.34Å; E18-L26 PolarHBondContact N-O 3.05Å; R19-L26 HydrophobicContact CB-CB 4.06Å; R19-L26 HydrophobicContact CB-CD2 4.23Å; R19-L26 HydrophobicContact CG-CD2 4.19Å; R19-L26 PolarHBondContact N-O 3.13Å; R19-L26 PolarHBondContact O-N 2.98Å; L26-I62 HydrophobicContact CD1-CG1 3.87Å; L26-I84 HydrophobicContact CD1-CB 4.2Å; L26-I84 HydrophobicContact CD1-CG1 3.43Å; L26-I84 VanDerWaalsContact CD1-CG1 3.43Å; L26-I84 HydrophobicContact CD1-CG2 3.73Å; L26-W88 HydrophobicContact CB-CD2 4.4Å; L26-W88 HydrophobicContact CB-CE3 3.66Å; L26-W88 HydrophobicContact CB-CZ3 3.93Å
27Q88.6Confident74.2Confident5 Ų557.5 Ų57.52%0.02339%0.39CS..EExtended strand (participates in β ladder)trans-129.3141.3179.1-56.3-168-45.700113.1A11 W15 I16 T17 I25 Y60 R61A11-Q27 PolarHBondContact O-NE2 3.37Å; A11-Q27 PolarHBondContact O-OE1 2.75Å; W15-Q27 HydrophobicContact CB-CB 4.25Å; W15-Q27 HydrophobicContact CE3-CB 4.04Å; I16-Q27 CarbonylContact O-C 3.55Å; I16-Q27 WeakPolarHBondContact O-CA 3.31Å; T17-Q27 PolarHBondContact OG1-NE2 2.94Å; I25-Q27 HydrophobicContact CG2-CG 3.93Å; Q27-Y60 CarbonylContact O-C 3.58Å; Q27-Y60 VanDerWaalsContact O-CA 3.26Å; Q27-Y60 WeakPolarHBondContact O-CA 3.19Å; Q27-R61 HydrophobicContact CB-CG 4.08Å; Q27-R61 PolarHBondContact N-O 3.23Å; Q27-R61 PolarHBondContact O-N 2.86Å; Q27-R61 VanDerWaalsContact OE1-CZ 3.26Å
28R85.8Confident72.6Confident36 Ų3656.4 Ų56.414%0.13639%0.393CS..EExtended strand (participates in β ladder)trans-103.2145.6168177.3169.862.6102.2-7.9110.4W15 I16 E18 H32 D34 P59 Y60W15-R28 CarbonylContact C-O 3.42Å; W15-R28 WeakPolarHBondContact CA-O 3.32Å; I16-R28 PolarHBondContact N-O 3.43Å; I16-R28 PolarHBondContact O-N 3.34Å; E18-R28 HydrophobicContact CG-CB 3.97Å; E18-R28 WeakPolarHBondContact OE1-CB 3.29Å; E18-R28 WeakPolarHBondContact OE1-CD 3.36Å; E18-R28 IonicContact OE1-CZ 3.13Å; E18-R28 IonicContact OE1-NE 3.33Å; E18-R28 PolarHBondContact OE1-NE 3.37Å; R28-H32 WeakPolarHBondContact CD-O 3.37Å; R28-H32 PolarHBondContact NH1-O 3.45Å; R28-D34 IonicContact CZ-OD2 2.82Å; R28-D34 IonicContact NH1-OD2 2.75Å; R28-D34 PolarHBondContact NH1-OD2 3.02Å; R28-D34 IonicContact NH2-OD2 3.22Å; R28-D34 PolarHBondContact NH2-OD2 3.1Å; R28-P59 CarbonylContact C-O 3.46Å; R28-P59 WeakPolarHBondContact CA-O 3.32Å; R28-Y60 HydrophobicContact CB-CD1 3.92Å; R28-Y60 HydrophobicContact CB-CE1 3.87Å; R28-Y60 HydrophobicContact CG-CD1 4.21Å; R28-Y60 HydrophobicContact CG-CE1 3.79Å
29R76Confident70.8Confident34 Ų3460.9 Ų60.913%0.12842%0.418CS..EExtended strand (participates in β ladder)trans-75.1136.6177.2-161.5172.6-179.5-164.3-4.1111.2W15 G31 H32 D48 P59W15-R29 HydrophobicContact CD2-CB 4.45Å; W15-R29 HydrophobicContact CE3-CB 4Å; W15-R29 HydrophobicContact CH2-CB 4.08Å; W15-R29 HydrophobicContact CH2-CG 4.35Å; W15-R29 HydrophobicContact CZ2-CG 4.34Å; W15-R29 HydrophobicContact CZ3-CB 3.8Å; W15-R29 HydrophobicContact CZ3-CG 4.45Å; R29-G31 PolarHBondContact O-N 2.83Å; R29-H32 PolarHBondContact O-N 3.16Å; R29-D48 IonicContact CZ-OD1 3.5Å; R29-D48 IonicContact CZ-OD2 3.97Å; R29-D48 IonicContact NH1-OD1 3.68Å; R29-D48 IonicContact NH1-OD2 2.75Å; R29-D48 PolarHBondContact NH1-OD2 3.41Å; R29-D48 IonicContact NH2-OD1 3.95Å; R29-D48 PolarHBondContact NH2-OD1 3.15Å; R29-D48 IonicContact NH2-OD2 3.81Å; R29-D48 PolarHBondContact NH2-OD2 2.83Å; R29-P59 PolarHBondContact N-O 3.05Å
30K70.1Confident68.9Low97 Ų9759.4 Ų59.442%0.42243%0.428SS..THydrogen-bonded Turntrans-57.9128.5179.3-72.8175.8-175168.50110.6G12 A13 L14 W15 I16G12-K30 PolarHBondContact O-NZ 3.42Å; A13-K30 PolarHBondContact O-NZ 3.32Å; L14-K30 PolarHBondContact O-N 2.95Å; W15-K30 VanDerWaalsContact O-CE 3.22Å; W15-K30 WeakPolarHBondContact O-CE 3.44Å; I16-K30 HydrophobicContact CD1-CG 4.01Å; I16-K30 HydrophobicContact CG1-CG 3.58Å
31G62.6Low67.1Low57 Ų5758.1 Ų58.159%0.58842%0.421SS*.THydrogen-bonded Turntrans89.9-1.2178.200000116.2R29R29-G31 PolarHBondContact O-N 2.83Å
32H58.2Low65.2Low82 Ų8262.9 Ų62.938%0.3845%0.446SS..SBendtrans-96.4113.4174.5178.886.3000111.2R28 R29 P59 Y60R28-H32 WeakPolarHBondContact CD-O 3.37Å; R28-H32 PolarHBondContact NH1-O 3.45Å; R29-H32 PolarHBondContact O-N 3.16Å; H32-P59 HydrophobicContact CB-CB 4.21Å; H32-P59 WeakPolarHBondContact CD2-CB 3.27Å; H32-P59 VanDerWaalsContact CG-CB 3.49Å; H32-P59 WeakPolarHBondContact NE2-CB 3.47Å; H32-Y60 AromaticContact NE2-CE2 3.92Å
33G56Low63.3Low70 Ų7064.9 Ų64.972%0.72245%0.452SS*.SBendtrans99.21.6169.800000117
34D44.4Very low61.6Low105 Ų10565.5 Ų65.556%0.56146%0.458SS*.  trans-96.9126.2168.4-70.4-76.9000109.4R28 G36R28-D34 IonicContact CZ-OD2 2.82Å; R28-D34 IonicContact NH1-OD2 2.75Å; R28-D34 PolarHBondContact NH1-OD2 3.02Å; R28-D34 IonicContact NH2-OD2 3.22Å; R28-D34 PolarHBondContact NH2-OD2 3.1Å; D34-G36 PolarHBondContact O-N 2.77Å
35G48.1Very low59.4Low99 Ų9967.6 Ų67.6100%1.02148%0.48SS*.SBendtrans-72.426.8-172.900000116.3
36G44.4Very low57.2Low62 Ų6270.4 Ų70.464%0.63950%0.498SS*.  trans-114114-178.400000112D34 G38D34-G36 PolarHBondContact O-N 2.77Å; G36-G38 PolarHBondContact O-N 2.92Å
37G45.9Very low54.9Low97 Ų9774.9 Ų74.9100%152%0.522SS*.  trans-70.660.9-177.800000115.2
38G50.9Low52.6Low48 Ų4879 Ų7950%0.49554%0.544SS..  trans-81.7141.8178.900000113.9G36 A40 G41G36-G38 PolarHBondContact O-N 2.92Å; G38-A40 PolarHBondContact O-N 3.19Å; G38-G41 PolarHBondContact O-N 2.86Å
39L48Very low50.6Low146 Ų14682.3 Ų82.376%0.76457%0.568SS**Hα-helixtrans-50-26.3-179.4-75.9162.6000115.2G41 L42 L43L39-G41 VanDerWaalsContact C-N 3.3Å; L39-G41 PolarHBondContact O-N 3.44Å; L39-L42 PolarHBondContact O-N 3.29Å; L39-L43 PolarHBondContact O-N 2.95Å
40A47.3Very low48.9Very low74 Ų7486 Ų8661%0.61259%0.594SS**Hα-helixtrans-61.2-34.6176.400000113.3G38 V44G38-A40 PolarHBondContact O-N 3.19Å; A40-V44 WeakPolarHBondContact O-CG2 3.43Å; A40-V44 PolarHBondContact O-N 2.95Å
41G51.5Low47.3Very low39 Ų3987.4 Ų87.440%0.40261%0.605SS.*Hα-helixtrans-67.3-38179.100000112.8G38 L39 V44 G45G38-G41 PolarHBondContact O-N 2.86Å; L39-G41 VanDerWaalsContact C-N 3.3Å; L39-G41 PolarHBondContact O-N 3.44Å; G41-V44 PolarHBondContact O-N 2.96Å; G41-G45 PolarHBondContact O-N 3.11Å
42L46.9Very low45.9Very low128 Ų12890.7 Ų90.767%0.6761%0.61SS**Hα-helixtrans-67.7-38.7-179.2-161.172.2000112.2L39 T46L39-L42 PolarHBondContact O-N 3.29Å; L42-T46 PolarHBondContact O-N 2.87Å; L42-T46 VanDerWaalsContact O-N 3.1Å; L42-T46 PolarHBondContact O-OG1 3.47Å
43L45.1Very low45.1Very low128 Ų12892.1 Ų92.167%0.6763%0.629SS**Hα-helixtrans-66.2-40.8175.4-78.3163.2000112.6L39 T46 L47L39-L43 PolarHBondContact O-N 2.95Å; L43-T46 PolarHBondContact O-N 2.91Å; L43-L47 PolarHBondContact O-N 3.47Å
44V51.4Low44Very low44 Ų4493.4 Ų93.427%0.26763%0.627SS.*Hα-helixtrans-65.6-45.4176.1174.90000110.9A40 G41 T46 L47 D48A40-V44 WeakPolarHBondContact O-CG2 3.43Å; A40-V44 PolarHBondContact O-N 2.95Å; G41-V44 PolarHBondContact O-N 2.96Å; V44-T46 PolarHBondContact O-N 3.25Å; V44-L47 PolarHBondContact O-N 2.99Å; V44-D48 PolarHBondContact O-N 3.19Å
45G46.8Very low43.5Very low44 Ų4492.6 Ų92.645%0.45464%0.635SS.*Hα-helixtrans-63.7-25.9177.200000114.4G41G41-G45 PolarHBondContact O-N 3.11Å
46T43.4Very low43.6Very low83 Ų8398.1 Ų98.151%0.50963%0.625SS.*Hα-helixtrans-77.9-35175.6-550000111.9L42 L43 V44L42-T46 PolarHBondContact O-N 2.87Å; L42-T46 VanDerWaalsContact O-N 3.1Å; L42-T46 PolarHBondContact O-OG1 3.47Å; L43-T46 PolarHBondContact O-N 2.91Å; V44-T46 PolarHBondContact O-N 3.25Å
47L41.8Very low44.2Very low94 Ų94101 Ų10149%0.49262%0.623SS.*Hα-helixtrans-71-36.3-179.4-164.769000112.4L43 V44 V49 V50 L51L43-L47 PolarHBondContact O-N 3.47Å; V44-L47 PolarHBondContact O-N 2.99Å; L47-V49 PolarHBondContact O-N 2.98Å; L47-V49 VanDerWaalsContact O-N 3.12Å; L47-V50 PolarHBondContact O-N 3.45Å; L47-V50 VanDerWaalsContact O-N 3.08Å; L47-L51 HydrophobicContact CD1-CD1 3.96Å; L47-L51 HydrophobicContact CD1-CG 4.48Å; L47-L51 HydrophobicContact CD2-CD1 4.35Å; L47-L51 HydrophobicContact CG-CD1 3.97Å; L47-L51 PolarHBondContact O-N 2.85Å
48D40Very low45Very low93 Ų9396.8 Ų96.850%0.49758%0.579SS.*THydrogen-bonded Turntrans-62.5-14.7178.7-83.49.9000114.5R29 V44R29-D48 IonicContact CZ-OD1 3.5Å; R29-D48 IonicContact CZ-OD2 3.97Å; R29-D48 IonicContact NH1-OD1 3.68Å; R29-D48 IonicContact NH1-OD2 2.75Å; R29-D48 PolarHBondContact NH1-OD2 3.41Å; R29-D48 IonicContact NH2-OD1 3.95Å; R29-D48 PolarHBondContact NH2-OD1 3.15Å; R29-D48 IonicContact NH2-OD2 3.81Å; R29-D48 PolarHBondContact NH2-OD2 2.83Å; V44-D48 PolarHBondContact O-N 3.19Å
49V44.6Very low46.3Very low104 Ų10495.7 Ų95.763%0.6356%0.563SS**THydrogen-bonded Turntrans-90.2-21.1177.2-178.70000112.1L47L47-V49 PolarHBondContact O-N 2.98Å; L47-V49 VanDerWaalsContact O-N 3.12Å
50V39.6Very low48Very low111 Ų11189.6 Ų89.667%0.67353%0.53SS*.THydrogen-bonded Turntrans-104.4-22.5-169.1-177.10000112.8L47L47-V50 PolarHBondContact O-N 3.45Å; L47-V50 VanDerWaalsContact O-N 3.08Å
51L36Very low50Low127 Ų12786.8 Ų86.867%0.66550%0.503SS*.SBendtrans-105.665.3-177.2-65.1179.1000113.9L47L47-L51 HydrophobicContact CD1-CD1 3.96Å; L47-L51 HydrophobicContact CD1-CG 4.48Å; L47-L51 HydrophobicContact CD2-CD1 4.35Å; L47-L51 HydrophobicContact CG-CD1 3.97Å; L47-L51 PolarHBondContact O-N 2.85Å
52D34.5Very low51.9Low127 Ų12784.9 Ų84.968%0.67948%0.484SS*.  trans55100.2148.4-146.718000121.8S54D52-S54 PolarHBondContact O-N 3.37Å
53S40.2Very low53.9Low112 Ų11278.8 Ų78.878%0.78345%0.452SS*.SBendtrans55.3-2130.1-53.30000123.9
54S32.8Very low56Low97 Ų9772.8 Ų72.868%0.67842%0.421SS*.SBendtrans-140.3127.4175.255.20000114.2D52D52-S54 PolarHBondContact O-N 3.37Å
55A34.8Very low57.7Low88 Ų8872.5 Ų72.573%0.72742%0.416SS*.  trans59.4115.1-17600000115.1M57A55-M57 VanDerWaalsContact C-N 3.31Å; A55-M57 PolarHBondContact O-N 2.76Å
56R49.2Very low59.4Low215 Ų21570.6 Ų70.681%0.81140%0.396SS*.  trans-62.599.6149.7-75.8177.3168.6-178.4-5.4106.4A58R56-A58 PolarHBondContact O-N 3.46Å
57M56.8Low60.9Low121 Ų12170.5 Ų70.560%0.59640%0.397SS*.  trans-59108.5174.3-71.6-165.9-17000108.3W15 A55W15-M57 HydrophobicContact CZ2-SD 4.34Å; A55-M57 VanDerWaalsContact C-N 3.31Å; A55-M57 PolarHBondContact O-N 2.76Å
58A64.2Low62.3Low10 Ų1073.1 Ų73.18%0.08341%0.411CS..  trans-63.9146.3-176.200000109.6W15 R56 Y60 H77 G78 T79W15-A58 WeakPolarHBondContact CH2-O 3.44Å; R56-A58 PolarHBondContact O-N 3.46Å; A58-Y60 PolarHBondContact O-N 3.11Å; A58-H77 HydrophobicContact CB-CB 4.07Å; A58-G78 WeakPolarHBondContact CB-O 3.43Å; A58-T79 HydrophobicContact CB-CG2 4.4Å
59P77.8Confident64.1Low25 Ų2570 Ų7016%0.16240%0.397CS..SBendtrans-58.8-17.4-171.419.1-32.2000115R28 R29 H32 G78 T79R28-P59 CarbonylContact C-O 3.46Å; R28-P59 WeakPolarHBondContact CA-O 3.32Å; R29-P59 PolarHBondContact N-O 3.05Å; H32-P59 HydrophobicContact CB-CB 4.21Å; H32-P59 WeakPolarHBondContact CD2-CB 3.27Å; H32-P59 VanDerWaalsContact CG-CB 3.49Å; H32-P59 WeakPolarHBondContact NE2-CB 3.47Å; P59-G78 WeakPolarHBondContact CD-O 3.49Å; P59-T79 WeakPolarHBondContact CG-O 3.46Å
60Y83.9Confident65.4Low17 Ų1771.3 Ų71.37%0.06741%0.405CS..EExtended strand (participates in β ladder)trans-122.5146.4173.7-52.8-97.4000111.5Q27 R28 H32 A58 H77 G78 R81 I84Q27-Y60 CarbonylContact O-C 3.58Å; Q27-Y60 VanDerWaalsContact O-CA 3.26Å; Q27-Y60 WeakPolarHBondContact O-CA 3.19Å; R28-Y60 HydrophobicContact CB-CD1 3.92Å; R28-Y60 HydrophobicContact CB-CE1 3.87Å; R28-Y60 HydrophobicContact CG-CD1 4.21Å; R28-Y60 HydrophobicContact CG-CE1 3.79Å; H32-Y60 AromaticContact NE2-CE2 3.92Å; A58-Y60 PolarHBondContact O-N 3.11Å; Y60-H77 CarbonylContact O-C 3.53Å; Y60-H77 WeakPolarHBondContact O-CA 3.22Å; Y60-G78 PolarHBondContact N-O 3.01Å; Y60-G78 VanDerWaalsContact N-O 3.13Å; Y60-G78 PolarHBondContact O-N 3.3Å; Y60-R81 HydrophobicContact CE1-CB 3.96Å; Y60-R81 HydrophobicContact CE1-CG 3.79Å; Y60-R81 HydrophobicContact CE2-CB 4.23Å; Y60-I84 HydrophobicContact CD1-CG2 3.97Å; Y60-I84 HydrophobicContact CG-CB 4.45Å; Y60-I84 HydrophobicContact CG-CG2 3.8Å
61R89.4Confident67.2Low15 Ų1568.3 Ų68.36%0.05739%0.387CS..EExtended strand (participates in β ladder)trans-142.3151.6173.769-178-173.3171.81.8112.1A11 W15 Q27 L63 A76A11-R61 PolarHBondContact O-NH2 3.4Å; W15-R61 HydrophobicContact CD2-CG 4.48Å; W15-R61 HydrophobicContact CE3-CG 3.94Å; W15-R61 HydrophobicContact CH2-CG 4.16Å; W15-R61 HydrophobicContact CZ3-CB 4.32Å; W15-R61 HydrophobicContact CZ3-CG 3.77Å; Q27-R61 HydrophobicContact CB-CG 4.08Å; Q27-R61 PolarHBondContact N-O 3.23Å; Q27-R61 PolarHBondContact O-N 2.86Å; Q27-R61 VanDerWaalsContact OE1-CZ 3.26Å; R61-L63 HydrophobicContact CG-CD2 4.49Å; R61-A76 CarbonylContact C-O 3.47Å; R61-A76 WeakPolarHBondContact CA-O 3.42Å
62I90.4Very high69.4Low0 Ų064.9 Ų64.90%037%0.365CS..EExtended strand (participates in β ladder)trans-110.6124.9166.5-57.6172.6000108.5F24 I25 L26 I75 A76 I84 H87 W88 L91F24-I62 HydrophobicContact CB-CG2 4.26Å; I25-I62 WeakPolarHBondContact O-CA 3.38Å; L26-I62 HydrophobicContact CD1-CG1 3.87Å; I62-I75 HydrophobicContact CB-CG1 4.28Å; I62-I75 HydrophobicContact CG2-CD1 4.09Å; I62-I75 HydrophobicContact CG2-CG1 4.03Å; I62-I75 WeakPolarHBondContact O-CG1 3.36Å; I62-I75 PolarHBondContact O-N 2.86Å; I62-A76 HydrophobicContact CB-CB 4.24Å; I62-A76 HydrophobicContact CD1-CB 4.29Å; I62-A76 HydrophobicContact CG1-CB 4.47Å; I62-A76 PolarHBondContact N-O 3.45Å; I62-A76 PolarHBondContact O-N 3.32Å; I62-I84 HydrophobicContact CD1-CD1 3.96Å; I62-I84 HydrophobicContact CD1-CG1 4.15Å; I62-I84 HydrophobicContact CG1-CD1 3.82Å; I62-I84 HydrophobicContact CG1-CG1 3.91Å; I62-H87 HydrophobicContact CD1-CB 4.06Å; I62-W88 HydrophobicContact CD1-CB 3.98Å; I62-W88 HydrophobicContact CD1-CE3 4.39Å; I62-W88 HydrophobicContact CG2-CE3 4.46Å; I62-L91 HydrophobicContact CD1-CD1 4.03Å; I62-L91 HydrophobicContact CG2-CD1 3.82Å
63L88.8Confident71.8Confident0 Ų060.9 Ų60.90%034%0.341CS..EExtended strand (participates in β ladder)trans-95.2147.5169.7-54.2178.9000109.9A11 F24 I25 R61 Y72 W73 I74A11-L63 HydrophobicContact CB-CD1 4.12Å; F24-L63 CarbonylContact C-O 3.59Å; F24-L63 VanDerWaalsContact CA-O 3.3Å; F24-L63 WeakPolarHBondContact CA-O 3.42Å; I25-L63 HydrophobicContact CB-CB 4.36Å; I25-L63 PolarHBondContact N-O 3.07Å; I25-L63 PolarHBondContact O-N 2.63Å; R61-L63 HydrophobicContact CG-CD2 4.49Å; L63-Y72 HydrophobicContact CB-CD1 4.34Å; L63-Y72 HydrophobicContact CD1-CD1 3.84Å; L63-Y72 HydrophobicContact CD1-CG 4.25Å; L63-W73 CarbonylContact C-O 3.53Å; L63-W73 VanDerWaalsContact CA-O 3.28Å; L63-W73 WeakPolarHBondContact CA-O 3.48Å; L63-I74 HydrophobicContact CD2-CB 4.35Å; L63-I74 HydrophobicContact CD2-CG1 3.65Å
64Y90Very high74Confident2 Ų257 Ų571%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-105.7141163.7164.8-101.9000109.9Y23 F24 T66 W73 I108 T109 V112Y23-Y64 WeakPolarHBondContact O-CA 3.25Å; Y23-Y64 VanDerWaalsContact O-CD2 3.29Å; Y23-Y64 WeakPolarHBondContact O-CD2 3.22Å; F24-Y64 HydrophobicContact CD1-CD2 4.06Å; F24-Y64 AromaticContact CE1-CD2 3.66Å; F24-Y64 HydrophobicContact CE1-CD2 3.66Å; F24-Y64 HydrophobicContact CE1-CG 4.34Å; F24-Y64 HydrophobicContact CZ-CD2 4.41Å; Y64-T66 HydrophobicContact CE1-CG2 4.44Å; Y64-T66 HydrophobicContact CE2-CG2 4.37Å; Y64-T66 WeakPolarHBondContact OH-CG2 3.19Å; Y64-W73 HydrophobicContact CD1-CB 4.2Å; Y64-W73 AromaticContact CD1-CD1 3.85Å; Y64-W73 HydrophobicContact CD1-CG 4.23Å; Y64-W73 PolarHBondContact N-O 3.44Å; Y64-W73 PolarHBondContact O-N 2.79Å; Y64-I108 HydrophobicContact CE2-CG2 4.26Å; Y64-I108 VanDerWaalsContact OH-CG2 3.28Å; Y64-I108 WeakPolarHBondContact OH-CG2 3.49Å; Y64-T109 HydrophobicContact CE1-CG2 4.1Å; Y64-T109 WeakPolarHBondContact OH-CA 3.06Å; Y64-T109 PolarHBondContact OH-N 3.33Å; Y64-T109 PolarHBondContact OH-OG1 2.96Å; Y64-V112 HydrophobicContact CD1-CG1 4.38Å; Y64-V112 HydrophobicContact CD2-CB 4.38Å; Y64-V112 HydrophobicContact CD2-CG1 3.86Å; Y64-V112 HydrophobicContact CD2-CG2 4.22Å; Y64-V112 HydrophobicContact CE2-CB 4.12Å; Y64-V112 HydrophobicContact CE2-CG1 4.13Å; Y64-V112 HydrophobicContact CE2-CG2 3.76Å; Y64-V112 HydrophobicContact CG-CG1 3.99Å
65Q86.6Confident76.6Confident37 Ų3752.5 Ų52.517%0.17328%0.279CS..  trans-146159.8177.4-161.2-168.6-13.100108.2Y23 S69 Y72Y23-Q65 VanDerWaalsContact CA-O 3.32Å; Y23-Q65 WeakPolarHBondContact CA-O 3.33Å; Y23-Q65 PolarHBondContact O-N 3.02Å; Y23-Q65 VanDerWaalsContact O-O 3.14Å; Q65-S69 PolarHBondContact NE2-O 2.92Å; Q65-Y72 HydrophobicContact CB-CD1 4.22Å; Q65-Y72 HydrophobicContact CB-CE1 4.27Å; Q65-Y72 VanDerWaalsContact CD-CE1 3.42Å; Q65-Y72 HydrophobicContact CG-CD1 4.16Å; Q65-Y72 HydrophobicContact CG-CE1 3.97Å; Q65-Y72 PolarHBondContact NE2-OH 3.42Å; Q65-Y72 PolarHBondContact OE1-OH 3.35Å
66T82.4Confident79.1Confident4 Ų448.3 Ų48.33%0.02525%0.245CC..  trans-112.6151.2161.853.90000109.6Y64 D68 S69 E105 I108Y64-T66 HydrophobicContact CE1-CG2 4.44Å; Y64-T66 HydrophobicContact CE2-CG2 4.37Å; Y64-T66 WeakPolarHBondContact OH-CG2 3.19Å; T66-D68 VanDerWaalsContact C-N 3.28Å; T66-D68 PolarHBondContact O-N 3.35Å; T66-D68 VanDerWaalsContact O-N 3.13Å; T66-S69 PolarHBondContact O-N 3.07Å; T66-S69 WeakPolarHBondContact OG1-CB 3.3Å; T66-E105 VanDerWaalsContact CB-OE1 3.25Å; T66-E105 WeakPolarHBondContact CB-OE1 3.46Å; T66-E105 VanDerWaalsContact CB-OE2 3.31Å; T66-E105 WeakPolarHBondContact CB-OE2 3.29Å; T66-E105 HydrophobicContact CG2-CB 4.12Å; T66-E105 HydrophobicContact CG2-CG 4.34Å; T66-E105 PolarHBondContact OG1-OE1 2.88Å; T66-E105 PolarHBondContact OG1-OE2 3.33Å; T66-I108 HydrophobicContact CG2-CG2 4.36Å
67P74.5Confident80.9Confident82 Ų8240.2 Ų40.253%0.53222%0.216SC..THydrogen-bonded Turntrans-51.7-38.3-169.9-31.337.2000115.9E105P67-E105 WeakPolarHBondContact CD-OE1 3.49Å
68D72.1Confident82.1Confident148 Ų14834.5 Ų34.579%0.79119%0.188SC*.THydrogen-bonded Turntrans-94.4-3.3-179.4-69.1-33.1000113.7T66 E105T66-D68 VanDerWaalsContact C-N 3.28Å; T66-D68 PolarHBondContact O-N 3.35Å; T66-D68 VanDerWaalsContact O-N 3.13Å; D68-E105 PolarHBondContact N-OE1 3.49Å
69S77.5Confident82.7Confident29 Ų2938.4 Ų38.420%0.20321%0.211CC..  trans-89.2132.2-178.7176.50000113.3Q65 T66 V71Q65-S69 PolarHBondContact NE2-O 2.92Å; T66-S69 PolarHBondContact O-N 3.07Å; T66-S69 WeakPolarHBondContact OG1-CB 3.3Å; S69-V71 VanDerWaalsContact C-N 3.28Å; S69-V71 PolarHBondContact OG-N 2.77Å; S69-V71 VanDerWaalsContact OG-N 3.07Å; S69-V71 PolarHBondContact OG-O 2.87Å
70V71.9Confident82.8Confident130 Ų13039.7 Ų39.779%0.78822%0.22SC*.  trans-83.81.9170.7-62.50000113.8
71V76.8Confident82.6Confident49 Ų4945.8 Ų45.830%0.29724%0.243SC..  trans-107.3125.1-173.9-175.90000111D7 S69 W73D7-V71 WeakPolarHBondContact OD1-CG1 3.37Å; S69-V71 VanDerWaalsContact C-N 3.28Å; S69-V71 PolarHBondContact OG-N 2.77Å; S69-V71 VanDerWaalsContact OG-N 3.07Å; S69-V71 PolarHBondContact OG-O 2.87Å; V71-W73 HydrophobicContact CG1-CZ2 4.13Å
72Y83.2Confident82.2Confident54 Ų5452.4 Ų52.421%0.21227%0.272CS..EExtended strand (participates in β ladder)trans-101.4138.6178.3-62.6-91.1000111.1V8 A11 I25 L63 Q65V8-Y72 PolarHBondContact N-O 2.86Å; A11-Y72 HydrophobicContact CB-CD1 4.11Å; A11-Y72 HydrophobicContact CB-CD2 3.92Å; A11-Y72 HydrophobicContact CB-CE1 3.98Å; A11-Y72 HydrophobicContact CB-CE2 3.8Å; A11-Y72 HydrophobicContact CB-CG 4.09Å; I25-Y72 HydrophobicContact CD1-CD1 4.44Å; I25-Y72 HydrophobicContact CD1-CE1 3.83Å; L63-Y72 HydrophobicContact CB-CD1 4.34Å; L63-Y72 HydrophobicContact CD1-CD1 3.84Å; L63-Y72 HydrophobicContact CD1-CG 4.25Å; Q65-Y72 HydrophobicContact CB-CD1 4.22Å; Q65-Y72 HydrophobicContact CB-CE1 4.27Å; Q65-Y72 VanDerWaalsContact CD-CE1 3.42Å; Q65-Y72 HydrophobicContact CG-CD1 4.16Å; Q65-Y72 HydrophobicContact CG-CE1 3.97Å; Q65-Y72 PolarHBondContact NE2-OH 3.42Å; Q65-Y72 PolarHBondContact OE1-OH 3.35Å
73W84.5Confident81.8Confident44 Ų4454 Ų5417%0.16728%0.28CS..EExtended strand (participates in β ladder)trans-116.9124.5176.7-59.381.6000110.5P5 E6 D7 L63 Y64 V71 I75 K113P5-W73 HydrophobicContact CB-CB 4.48Å; P5-W73 HydrophobicContact CB-CE3 4.14Å; E6-W73 CarbonylContact O-C 3.51Å; E6-W73 VanDerWaalsContact O-CA 3.3Å; E6-W73 WeakPolarHBondContact O-CA 3.4Å; D7-W73 HydrophobicContact CB-CZ3 4.46Å; D7-W73 VanDerWaalsContact CG-CZ3 3.47Å; D7-W73 WeakPolarHBondContact OD1-CH2 3.43Å; D7-W73 WeakPolarHBondContact OD1-CZ2 3.4Å; D7-W73 WeakPolarHBondContact OD2-CH2 3.4Å; D7-W73 VanDerWaalsContact OD2-CZ3 3.3Å; D7-W73 WeakPolarHBondContact OD2-CZ3 3.38Å; L63-W73 CarbonylContact C-O 3.53Å; L63-W73 VanDerWaalsContact CA-O 3.28Å; L63-W73 WeakPolarHBondContact CA-O 3.48Å; Y64-W73 HydrophobicContact CD1-CB 4.2Å; Y64-W73 AromaticContact CD1-CD1 3.85Å; Y64-W73 HydrophobicContact CD1-CG 4.23Å; Y64-W73 PolarHBondContact N-O 3.44Å; Y64-W73 PolarHBondContact O-N 2.79Å; V71-W73 HydrophobicContact CG1-CZ2 4.13Å; W73-I75 PolarHBondContact O-N 2.94Å; W73-K113 VanDerWaalsContact CE2-NZ 3.3Å
74I85.9Confident81.8Confident31 Ų3154 Ų5416%0.15928%0.28CS..EExtended strand (participates in β ladder)trans-73.1126.1171.1-53.4170000108.4V3 P5 E6 V8 L63V3-I74 HydrophobicContact CG2-CG2 3.78Å; P5-I74 WeakPolarHBondContact CA-O 3.32Å; E6-I74 PolarHBondContact N-O 3.18Å; E6-I74 PolarHBondContact O-N 3.48Å; V8-I74 HydrophobicContact CG2-CD1 3.61Å; V8-I74 HydrophobicContact CG2-CG1 3.53Å; L63-I74 HydrophobicContact CD2-CB 4.35Å; L63-I74 HydrophobicContact CD2-CG1 3.65Å
75I88.6Confident81.7Confident1 Ų155.2 Ų55.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-117.2-22.5178.659.1165.2000113.8V3 P5 F24 I62 W73 L91 V116V3-I75 PolarHBondContact N-O 2.93Å; P5-I75 HydrophobicContact CB-CG2 4.43Å; P5-I75 HydrophobicContact CG-CG2 4.26Å; F24-I75 HydrophobicContact CD1-CD1 3.61Å; F24-I75 HydrophobicContact CE1-CD1 3.54Å; I62-I75 HydrophobicContact CB-CG1 4.28Å; I62-I75 HydrophobicContact CG2-CD1 4.09Å; I62-I75 HydrophobicContact CG2-CG1 4.03Å; I62-I75 WeakPolarHBondContact O-CG1 3.36Å; I62-I75 PolarHBondContact O-N 2.86Å; W73-I75 PolarHBondContact O-N 2.94Å; I75-L91 HydrophobicContact CD1-CD1 3.66Å; I75-L91 HydrophobicContact CD1-CD2 4.04Å; I75-V116 HydrophobicContact CB-CG1 4.41Å; I75-V116 HydrophobicContact CB-CG2 4.19Å; I75-V116 HydrophobicContact CG2-CG2 4.34Å
76A87.4Confident81.7Confident0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-149156.7174.600000111.6M1 W2 R61 I62 I84 H87M1-A76 WeakPolarHBondContact O-CA 3.32Å; W2-A76 HydrophobicContact CE3-CB 4.05Å; W2-A76 HydrophobicContact CZ3-CB 4.39Å; R61-A76 CarbonylContact C-O 3.47Å; R61-A76 WeakPolarHBondContact CA-O 3.42Å; I62-A76 HydrophobicContact CB-CB 4.24Å; I62-A76 HydrophobicContact CD1-CB 4.29Å; I62-A76 HydrophobicContact CG1-CB 4.47Å; I62-A76 PolarHBondContact N-O 3.45Å; I62-A76 PolarHBondContact O-N 3.32Å; A76-I84 HydrophobicContact CB-CD1 4.16Å; A76-H87 HydrophobicContact CB-CB 4.4Å
77H87.1Confident82Confident46 Ų4659.3 Ų59.321%0.21331%0.306CS..EExtended strand (participates in β ladder)trans-138.7151.9174.768.2104.7000109.9M1 V3 A58 Y60M1-H77 WeakPolarHBondContact CB-NE2 3.49Å; M1-H77 PolarHBondContact N-O 2.83Å; M1-H77 PolarHBondContact O-CD2 2.82Å; M1-H77 VanDerWaalsContact O-CD2 3.29Å; M1-H77 PolarHBondContact O-N 2.83Å; V3-H77 VanDerWaalsContact CG1-CD2 3.41Å; V3-H77 WeakPolarHBondContact CG1-CD2 3.43Å; A58-H77 HydrophobicContact CB-CB 4.07Å; Y60-H77 CarbonylContact O-C 3.53Å; Y60-H77 WeakPolarHBondContact O-CA 3.22Å
78G81.9Confident82.9Confident0 Ų055.6 Ų55.60%028%0.282CS..EExtended strand (participates in β ladder)trans-140.7134.7-175.700000112.6A58 P59 Y60A58-G78 WeakPolarHBondContact CB-O 3.43Å; P59-G78 WeakPolarHBondContact CD-O 3.49Å; Y60-G78 PolarHBondContact N-O 3.01Å; Y60-G78 VanDerWaalsContact N-O 3.13Å; Y60-G78 PolarHBondContact O-N 3.3Å
79T76.9Confident83.7Confident92 Ų9252.5 Ų52.556%0.56426%0.262SS*.SBendtrans-79.5-26.5175.963.40000112.3A58 P59 E83A58-T79 HydrophobicContact CB-CG2 4.4Å; P59-T79 WeakPolarHBondContact CG-O 3.46Å; T79-E83 WeakPolarHBondContact CA-OE2 3.08Å; T79-E83 WeakPolarHBondContact CB-OE2 3.45Å; T79-E83 PolarHBondContact N-OE2 2.75Å; T79-E83 PolarHBondContact OG1-OE2 3.12Å
80S78.9Confident84.3Confident52 Ų5255.4 Ų55.436%0.36427%0.269SS..SBendtrans-126.3161172.873.80000111.7K82 E83 I84S80-K82 VanDerWaalsContact C-N 3.25Å; S80-K82 PolarHBondContact O-N 2.94Å; S80-E83 WeakPolarHBondContact OG-CB 3.35Å; S80-E83 PolarHBondContact OG-N 3.44Å; S80-E83 VanDerWaalsContact OG-N 3.16Å; S80-I84 PolarHBondContact O-N 3.17Å
81R80.5Confident85.1Confident146 Ų14649.2 Ų49.255%0.55123%0.232SC*.Hα-helixtrans-65-30.4174.4-160.5176.9-167.9-146.62.2112.2E18 Y60 I84 T85E18-R81 IonicContact OE1-NE 3.31Å; E18-R81 IonicContact OE1-NH2 3Å; E18-R81 IonicContact OE2-CZ 3.93Å; E18-R81 IonicContact OE2-NE 2.62Å; E18-R81 PolarHBondContact OE2-NE 2.82Å; E18-R81 IonicContact OE2-NH2 2.75Å; E18-R81 PolarHBondContact OE2-NH2 3.2Å; Y60-R81 HydrophobicContact CE1-CB 3.96Å; Y60-R81 HydrophobicContact CE1-CG 3.79Å; Y60-R81 HydrophobicContact CE2-CB 4.23Å; R81-I84 WeakPolarHBondContact O-CG2 3.12Å; R81-T85 WeakPolarHBondContact O-CB 3.07Å; R81-T85 PolarHBondContact O-N 2.96Å; R81-T85 PolarHBondContact O-OG1 3.5Å
82K80.1Confident85.6Confident153 Ų15350 Ų5067%0.66523%0.232SC*.Hα-helixtrans-66.8-55.7177.2-165.1-166.9-180-156.10110.7S80 I84 T85 E86S80-K82 VanDerWaalsContact C-N 3.25Å; S80-K82 PolarHBondContact O-N 2.94Å; K82-I84 VanDerWaalsContact C-N 3.3Å; K82-I84 PolarHBondContact O-N 2.97Å; K82-T85 PolarHBondContact O-N 3.24Å; K82-E86 WeakPolarHBondContact CE-OE1 3.12Å; K82-E86 WeakPolarHBondContact CG-OE1 3.07Å; K82-E86 IonicContact NZ-OE1 2.7Å; K82-E86 PolarHBondContact O-N 3.34Å
83E83Confident85.6Confident34 Ų3454.5 Ų54.516%0.15926%0.255CS..Hα-helixtrans-51.8-44.9179.7-176.3-163.1164.300112.5M1 T79 S80 H87M1-E83 PolarHBondContact N-OE1 2.98Å; T79-E83 WeakPolarHBondContact CA-OE2 3.08Å; T79-E83 WeakPolarHBondContact CB-OE2 3.45Å; T79-E83 PolarHBondContact N-OE2 2.75Å; T79-E83 PolarHBondContact OG1-OE2 3.12Å; S80-E83 WeakPolarHBondContact OG-CB 3.35Å; S80-E83 PolarHBondContact OG-N 3.44Å; S80-E83 VanDerWaalsContact OG-N 3.16Å; E83-H87 PolarHBondContact O-CD2 2.77Å; E83-H87 PolarHBondContact O-N 3.45Å
84I87.6Confident85.6Confident0 Ų056.3 Ų56.30%027%0.267CS..Hα-helixtrans-75.6-25.7-179.4-155.458.4000113.2L26 Y60 I62 A76 S80 R81 K82 H87 W88L26-I84 HydrophobicContact CD1-CB 4.2Å; L26-I84 HydrophobicContact CD1-CG1 3.43Å; L26-I84 VanDerWaalsContact CD1-CG1 3.43Å; L26-I84 HydrophobicContact CD1-CG2 3.73Å; Y60-I84 HydrophobicContact CD1-CG2 3.97Å; Y60-I84 HydrophobicContact CG-CB 4.45Å; Y60-I84 HydrophobicContact CG-CG2 3.8Å; I62-I84 HydrophobicContact CD1-CD1 3.96Å; I62-I84 HydrophobicContact CD1-CG1 4.15Å; I62-I84 HydrophobicContact CG1-CD1 3.82Å; I62-I84 HydrophobicContact CG1-CG1 3.91Å; A76-I84 HydrophobicContact CB-CD1 4.16Å; S80-I84 PolarHBondContact O-N 3.17Å; R81-I84 WeakPolarHBondContact O-CG2 3.12Å; K82-I84 VanDerWaalsContact C-N 3.3Å; K82-I84 PolarHBondContact O-N 2.97Å; I84-H87 PolarHBondContact O-N 2.66Å; I84-W88 WeakPolarHBondContact O-CB 3.28Å; I84-W88 PolarHBondContact O-N 2.81Å
85T88.8Confident85.7Confident27 Ų2755 Ų5517%0.16626%0.261CS..Hα-helixtrans-74.4-37.1177.4-57.70000110.3R81 K82 H87 W88 E89R81-T85 WeakPolarHBondContact O-CB 3.07Å; R81-T85 PolarHBondContact O-N 2.96Å; R81-T85 PolarHBondContact O-OG1 3.5Å; K82-T85 PolarHBondContact O-N 3.24Å; T85-H87 VanDerWaalsContact C-N 3.34Å; T85-H87 PolarHBondContact O-N 3.02Å; T85-W88 WeakPolarHBondContact O-CB 3.3Å; T85-W88 PolarHBondContact O-N 3.26Å; T85-W88 VanDerWaalsContact O-N 3.17Å; T85-E89 HydrophobicContact CG2-CG 4.37Å; T85-E89 VanDerWaalsContact CG2-OE1 3.22Å; T85-E89 WeakPolarHBondContact CG2-OE1 3.38Å; T85-E89 WeakPolarHBondContact O-CB 3.17Å; T85-E89 WeakPolarHBondContact O-CG 3.26Å; T85-E89 PolarHBondContact O-N 2.98Å
86E87.1Confident85.5Confident98 Ų9856.9 Ų56.946%0.45827%0.27SS..Hα-helixtrans-59.3-42.6171.2-67.3162.8179.500111.3K82 W90K82-E86 WeakPolarHBondContact CE-OE1 3.12Å; K82-E86 WeakPolarHBondContact CG-OE1 3.07Å; K82-E86 IonicContact NZ-OE1 2.7Å; K82-E86 PolarHBondContact O-N 3.34Å; E86-W90 WeakPolarHBondContact O-CB 3.36Å; E86-W90 PolarHBondContact O-N 2.91Å
87H88.6Confident85.2Confident30 Ų3064.3 Ų64.314%0.13931%0.305CS..Hα-helixtrans-67.2-37.3173.1-64.9-44.3000113.5M1 W2 I62 A76 E83 I84 T85 L91M1-H87 WeakPolarHBondContact CA-NE2 3.22Å; M1-H87 PolarHBondContact N-CD2 3.33Å; M1-H87 PolarHBondContact N-NE2 2.75Å; W2-H87 AromaticContact CE2-ND1 3.63Å; W2-H87 HydrophobicContact CZ2-CB 4.39Å; W2-H87 AromaticContact CZ2-ND1 3.88Å; W2-H87 AromaticContact NE1-CE1 3.71Å; W2-H87 AromaticContact NE1-ND1 3.47Å; W2-H87 PolarHBondContact NE1-ND1 3.29Å; I62-H87 HydrophobicContact CD1-CB 4.06Å; A76-H87 HydrophobicContact CB-CB 4.4Å; E83-H87 PolarHBondContact O-CD2 2.77Å; E83-H87 PolarHBondContact O-N 3.45Å; I84-H87 PolarHBondContact O-N 2.66Å; T85-H87 VanDerWaalsContact C-N 3.34Å; T85-H87 PolarHBondContact O-N 3.02Å; H87-L91 WeakPolarHBondContact O-CG 3.49Å; H87-L91 PolarHBondContact O-N 2.79Å
88W91.8Very high85Confident4 Ų464.7 Ų64.72%0.01531%0.311CS..Hα-helixtrans-62.6-49.9174.8174-83.6000111.5R19 N21 F24 L26 I62 I84 T85 W90 L91 E92R19-W88 HydrophobicContact CB-CD2 4.38Å; R19-W88 HydrophobicContact CB-CH2 4.1Å; R19-W88 HydrophobicContact CB-CZ2 3.89Å; R19-W88 HydrophobicContact CB-CZ3 4.43Å; N21-W88 HydrophobicContact CB-CH2 4.23Å; N21-W88 HydrophobicContact CB-CZ2 4.26Å; N21-W88 WeakPolarHBondContact ND2-CZ2 3.41Å; F24-W88 HydrophobicContact CB-CH2 4.12Å; F24-W88 HydrophobicContact CB-CZ3 3.75Å; F24-W88 WeakPolarHBondContact O-CH2 3.28Å; L26-W88 HydrophobicContact CB-CD2 4.4Å; L26-W88 HydrophobicContact CB-CE3 3.66Å; L26-W88 HydrophobicContact CB-CZ3 3.93Å; I62-W88 HydrophobicContact CD1-CB 3.98Å; I62-W88 HydrophobicContact CD1-CE3 4.39Å; I62-W88 HydrophobicContact CG2-CE3 4.46Å; I84-W88 WeakPolarHBondContact O-CB 3.28Å; I84-W88 PolarHBondContact O-N 2.81Å; T85-W88 WeakPolarHBondContact O-CB 3.3Å; T85-W88 PolarHBondContact O-N 3.26Å; T85-W88 VanDerWaalsContact O-N 3.17Å; W88-W90 VanDerWaalsContact C-N 3.27Å; W88-W90 PolarHBondContact O-N 3.22Å; W88-L91 WeakPolarHBondContact O-CB 3.33Å; W88-L91 PolarHBondContact O-N 2.99Å; W88-L91 VanDerWaalsContact O-N 3.11Å; W88-E92 PolarHBondContact NE1-OE2 2.82Å; W88-E92 WeakPolarHBondContact O-CB 3.35Å; W88-E92 PolarHBondContact O-N 3.47Å
89E90.6Very high85.1Confident82 Ų8264.7 Ų64.738%0.38331%0.311SS..Hα-helixtrans-65.7-32.5-178.6-72.7168.7-172.500111.2R19 T85 E92 H93R19-E89 IonicContact NH1-OE1 3.46Å; R19-E89 PolarHBondContact NH1-OE1 3.14Å; T85-E89 HydrophobicContact CG2-CG 4.37Å; T85-E89 VanDerWaalsContact CG2-OE1 3.22Å; T85-E89 WeakPolarHBondContact CG2-OE1 3.38Å; T85-E89 WeakPolarHBondContact O-CB 3.17Å; T85-E89 WeakPolarHBondContact O-CG 3.26Å; T85-E89 PolarHBondContact O-N 2.98Å; E89-E92 PolarHBondContact O-N 3Å; E89-H93 PolarHBondContact O-N 2.89Å; E89-H93 PolarHBondContact O-ND1 2.75Å
90W89.8Confident85.2Confident90 Ų9064.2 Ų64.234%0.34131%0.311SS..Hα-helixtrans-61.8-46.6170.2-168.196.3000112.5W2 E86 W88 E92 N94 L95 I119W2-W90 HydrophobicContact CH2-CD2 4.47Å; W2-W90 AromaticContact CH2-CE3 3.75Å; W2-W90 HydrophobicContact CH2-CE3 3.75Å; W2-W90 HydrophobicContact CH2-CZ3 4.34Å; W2-W90 HydrophobicContact CZ2-CB 4.48Å; W2-W90 HydrophobicContact CZ2-CD2 4.16Å; W2-W90 AromaticContact CZ2-CE3 3.87Å; W2-W90 HydrophobicContact CZ2-CE3 3.87Å; W2-W90 HydrophobicContact CZ2-CG 4.41Å; E86-W90 WeakPolarHBondContact O-CB 3.36Å; E86-W90 PolarHBondContact O-N 2.91Å; W88-W90 VanDerWaalsContact C-N 3.27Å; W88-W90 PolarHBondContact O-N 3.22Å; W90-E92 VanDerWaalsContact C-N 3.33Å; W90-E92 PolarHBondContact O-N 3.43Å; W90-N94 HydrophobicContact CD2-CB 4.13Å; W90-N94 HydrophobicContact CE3-CB 4.16Å; W90-N94 HydrophobicContact CH2-CB 3.83Å; W90-N94 HydrophobicContact CZ2-CB 3.82Å; W90-N94 HydrophobicContact CZ3-CB 4.02Å; W90-N94 VanDerWaalsContact O-CB 3.27Å; W90-N94 WeakPolarHBondContact O-CB 3.45Å; W90-N94 PolarHBondContact O-N 3.23Å; W90-N94 PolarHBondContact O-ND2 2.8Å; W90-L95 HydrophobicContact CH2-CD2 4.37Å; W90-L95 HydrophobicContact CH2-CG 4.47Å; W90-L95 HydrophobicContact CZ3-CD1 4.13Å; W90-L95 HydrophobicContact CZ3-CD2 4.26Å; W90-L95 HydrophobicContact CZ3-CG 3.88Å; W90-I119 HydrophobicContact CE3-CD1 4.14Å; W90-I119 HydrophobicContact CH2-CD1 3.41Å; W90-I119 VanDerWaalsContact CH2-CD1 3.41Å; W90-I119 HydrophobicContact CH2-CG1 4.15Å; W90-I119 HydrophobicContact CZ2-CD1 4.03Å; W90-I119 HydrophobicContact CZ2-CG1 4.44Å; W90-I119 HydrophobicContact CZ3-CD1 3.46Å; W90-I119 VanDerWaalsContact CZ3-CD1 3.46Å
91L89.2Confident85.4Confident1 Ų168 Ų681%0.00533%0.326CS..Hα-helixtrans-61.2-42.9176.9-69.3169.1000112W2 F24 I62 I75 H87 W88 L95 L96W2-L91 HydrophobicContact CH2-CD1 4.41Å; W2-L91 HydrophobicContact CH2-CD2 3.69Å; W2-L91 HydrophobicContact CH2-CG 3.8Å; W2-L91 HydrophobicContact CZ3-CD1 4.39Å; W2-L91 HydrophobicContact CZ3-CD2 3.82Å; W2-L91 HydrophobicContact CZ3-CG 4.15Å; F24-L91 HydrophobicContact CD1-CD1 4Å; F24-L91 HydrophobicContact CD2-CB 4.13Å; F24-L91 HydrophobicContact CD2-CD1 4.45Å; F24-L91 HydrophobicContact CE1-CD1 4.24Å; F24-L91 HydrophobicContact CE1-CD2 4.02Å; F24-L91 HydrophobicContact CE2-CB 4.03Å; F24-L91 HydrophobicContact CE2-CD2 4.32Å; F24-L91 HydrophobicContact CG-CD1 4.11Å; F24-L91 HydrophobicContact CZ-CB 4.42Å; F24-L91 HydrophobicContact CZ-CD2 3.86Å; I62-L91 HydrophobicContact CD1-CD1 4.03Å; I62-L91 HydrophobicContact CG2-CD1 3.82Å; I75-L91 HydrophobicContact CD1-CD1 3.66Å; I75-L91 HydrophobicContact CD1-CD2 4.04Å; H87-L91 WeakPolarHBondContact O-CG 3.49Å; H87-L91 PolarHBondContact O-N 2.79Å; W88-L91 WeakPolarHBondContact O-CB 3.33Å; W88-L91 PolarHBondContact O-N 2.99Å; W88-L91 VanDerWaalsContact O-N 3.11Å; L91-L95 HydrophobicContact CD2-CD1 3.68Å; L91-L95 HydrophobicContact CD2-CG 4.43Å; L91-L95 PolarHBondContact O-N 3.46Å; L91-L96 PolarHBondContact O-N 3.01Å; L91-L96 VanDerWaalsContact O-N 3.14Å
92E85.4Confident85.5Confident66 Ų6664.3 Ų64.331%0.30831%0.314SS..Hα-helixtrans-65.1-42.6-177.4-164.4135.7-104.500111.8N21 W88 E89 W90 L96N21-E92 PolarHBondContact ND2-OE1 2.86Å; N21-E92 VanDerWaalsContact ND2-OE1 3.09Å; W88-E92 PolarHBondContact NE1-OE2 2.82Å; W88-E92 WeakPolarHBondContact O-CB 3.35Å; W88-E92 PolarHBondContact O-N 3.47Å; E89-E92 PolarHBondContact O-N 3Å; W90-E92 VanDerWaalsContact C-N 3.33Å; W90-E92 PolarHBondContact O-N 3.43Å; E92-L96 HydrophobicContact CG-CD2 4.07Å; E92-L96 VanDerWaalsContact O-CB 3.27Å; E92-L96 WeakPolarHBondContact O-CB 3.2Å
93H84.9Confident85.4Confident148 Ų14866.9 Ų66.969%0.68533%0.329SS*.Hα-helixtrans-79-39.7177.5-69.886.7000113.7E89E89-H93 PolarHBondContact O-N 2.89Å; E89-H93 PolarHBondContact O-ND1 2.75Å
94N84.5Confident85.3Confident81 Ų8168.3 Ų68.343%0.43334%0.337SS..Hα-helixtrans-97.4-28.7-167.5-65.3-91.5000114.3W90W90-N94 HydrophobicContact CD2-CB 4.13Å; W90-N94 HydrophobicContact CE3-CB 4.16Å; W90-N94 HydrophobicContact CH2-CB 3.83Å; W90-N94 HydrophobicContact CZ2-CB 3.82Å; W90-N94 HydrophobicContact CZ3-CB 4.02Å; W90-N94 VanDerWaalsContact O-CB 3.27Å; W90-N94 WeakPolarHBondContact O-CB 3.45Å; W90-N94 PolarHBondContact O-N 3.23Å; W90-N94 PolarHBondContact O-ND2 2.8Å
95L87.1Confident84.9Confident3 Ų370.9 Ų70.92%0.01635%0.349CS..THydrogen-bonded Turntrans-109.9-41.4-177.4-59.6-172000113F24 W90 L91 Q97 T98 L99 F111 K115F24-L95 HydrophobicContact CE2-CB 4.45Å; F24-L95 HydrophobicContact CZ-CB 4.43Å; F24-L95 HydrophobicContact CZ-CD1 4.15Å; W90-L95 HydrophobicContact CH2-CD2 4.37Å; W90-L95 HydrophobicContact CH2-CG 4.47Å; W90-L95 HydrophobicContact CZ3-CD1 4.13Å; W90-L95 HydrophobicContact CZ3-CD2 4.26Å; W90-L95 HydrophobicContact CZ3-CG 3.88Å; L91-L95 HydrophobicContact CD2-CD1 3.68Å; L91-L95 HydrophobicContact CD2-CG 4.43Å; L91-L95 PolarHBondContact O-N 3.46Å; L95-Q97 PolarHBondContact O-N 3.44Å; L95-T98 CarbonylContact O-C 3.53Å; L95-T98 WeakPolarHBondContact O-CA 3.36Å; L95-T98 WeakPolarHBondContact O-CB 3.45Å; L95-T98 PolarHBondContact O-N 3.36Å; L95-L99 HydrophobicContact CB-CG 4.33Å; L95-L99 WeakPolarHBondContact O-CG 3.26Å; L95-L99 PolarHBondContact O-N 2.95Å; L95-F111 HydrophobicContact CD2-CE1 4.05Å; L95-F111 HydrophobicContact CD2-CZ 4.48Å; L95-K115 HydrophobicContact CD2-CB 4.33Å; L95-K115 HydrophobicContact CD2-CG 4.12Å
96L84.4Confident84.5Confident41 Ų4175 Ų7522%0.21537%0.371CS..Hα-helixtrans-53-47.8-164.6-170.962000114.1Y23 L91 E92 T98 L99 S100Y23-L96 HydrophobicContact CD2-CD1 3.9Å; L91-L96 PolarHBondContact O-N 3.01Å; L91-L96 VanDerWaalsContact O-N 3.14Å; E92-L96 HydrophobicContact CG-CD2 4.07Å; E92-L96 VanDerWaalsContact O-CB 3.27Å; E92-L96 WeakPolarHBondContact O-CB 3.2Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 2.96Å; L96-L99 PolarHBondContact O-N 3.49Å; L96-S100 PolarHBondContact O-N 3.36Å; L96-S100 PolarHBondContact O-OG 3.14Å
97Q80.3Confident84.3Confident157 Ų15774.2 Ų74.273%0.73437%0.369SS*.Hα-helixtrans-65.2-28.4176.5-66.6-172.22.900113.6L95 S100 I101L95-Q97 PolarHBondContact O-N 3.44Å; Q97-S100 PolarHBondContact O-OG 3.08Å; Q97-I101 WeakPolarHBondContact O-CG1 3.44Å
98T83.4Confident84.1Confident54 Ų5473.1 Ų73.133%0.33136%0.364SS..Hα-helixtrans-79.1-36.2178.1-50.20000111.1L95 L96 S100 I101 F102 F111L95-T98 CarbonylContact O-C 3.53Å; L95-T98 WeakPolarHBondContact O-CA 3.36Å; L95-T98 WeakPolarHBondContact O-CB 3.45Å; L95-T98 PolarHBondContact O-N 3.36Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 PolarHBondContact O-N 2.96Å; T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 3.33Å; T98-I101 WeakPolarHBondContact O-CB 3.39Å; T98-I101 PolarHBondContact O-N 3.39Å; T98-F102 HydrophobicContact CG2-CE2 4.23Å; T98-F102 VanDerWaalsContact O-CD2 3.32Å; T98-F102 WeakPolarHBondContact O-CD2 3.3Å; T98-F111 HydrophobicContact CG2-CE1 4.03Å; T98-F111 HydrophobicContact CG2-CZ 3.77Å
99L84.8Confident83.7Confident0 Ų074.1 Ų74.10%037%0.371CS..Hα-helixtrans-63.6-36.4179-57.9-168.2000111.9Y23 F24 L95 L96 I101 F102 I108 F111 V112Y23-L99 HydrophobicContact CD1-CD1 4.24Å; Y23-L99 HydrophobicContact CD2-CB 3.83Å; Y23-L99 HydrophobicContact CD2-CD1 3.81Å; Y23-L99 HydrophobicContact CD2-CG 4.45Å; Y23-L99 HydrophobicContact CE1-CB 4.42Å; Y23-L99 HydrophobicContact CE2-CB 3.64Å; Y23-L99 HydrophobicContact CE2-CD1 4.47Å; Y23-L99 HydrophobicContact CG-CB 4.29Å; Y23-L99 HydrophobicContact CG-CD1 3.66Å; F24-L99 HydrophobicContact CE2-CD1 3.78Å; F24-L99 HydrophobicContact CZ-CD1 3.68Å; L95-L99 HydrophobicContact CB-CG 4.33Å; L95-L99 WeakPolarHBondContact O-CG 3.26Å; L95-L99 PolarHBondContact O-N 2.95Å; L96-L99 PolarHBondContact O-N 3.49Å; L99-I101 PolarHBondContact O-N 2.87Å; L99-I101 VanDerWaalsContact O-N 3.13Å; L99-F102 PolarHBondContact O-N 3.47Å; L99-I108 HydrophobicContact CB-CG2 4.36Å; L99-I108 HydrophobicContact CD1-CG2 4.34Å; L99-I108 HydrophobicContact CD2-CG2 4.09Å; L99-I108 HydrophobicContact CG-CG2 4.47Å; L99-F111 HydrophobicContact CD2-CD1 3.59Å; L99-F111 HydrophobicContact CD2-CE1 3.79Å; L99-V112 HydrophobicContact CD1-CG2 3.79Å; L99-V112 HydrophobicContact CD2-CG2 3.55Å; L99-V112 HydrophobicContact CG-CG2 4.35Å
100S78.8Confident83.4Confident81 Ų8175 Ų7557%0.56638%0.382SS*.THydrogen-bonded Turntrans-68.9-1.2176.1470000115.6L96 Q97 T98L96-S100 PolarHBondContact O-N 3.36Å; L96-S100 PolarHBondContact O-OG 3.14Å; Q97-S100 PolarHBondContact O-OG 3.08Å; T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 3.33Å
101I83.7Confident83.3Confident133 Ų13373.3 Ų73.368%0.68238%0.377SS*.THydrogen-bonded Turntrans-92.7-19.8176.5-57.8172.4000111.5Q97 T98 L99Q97-I101 WeakPolarHBondContact O-CG1 3.44Å; T98-I101 WeakPolarHBondContact O-CB 3.39Å; T98-I101 PolarHBondContact O-N 3.39Å; L99-I101 PolarHBondContact O-N 2.87Å; L99-I101 VanDerWaalsContact O-N 3.13Å
102F82.6Confident83.1Confident68 Ų6873.3 Ų73.330%0.29838%0.377SS..  trans-85.9132.7-176.9-68.8-91.9000112.3T98 L99 D107 I108 F111T98-F102 HydrophobicContact CG2-CE2 4.23Å; T98-F102 VanDerWaalsContact O-CD2 3.32Å; T98-F102 WeakPolarHBondContact O-CD2 3.3Å; L99-F102 PolarHBondContact O-N 3.47Å; F102-D107 HydrophobicContact CD1-CB 3.9Å; F102-D107 HydrophobicContact CE1-CB 4.27Å; F102-I108 HydrophobicContact CB-CD1 3.97Å; F102-I108 HydrophobicContact CB-CG1 3.39Å; F102-I108 HydrophobicContact CD2-CG1 4.22Å; F102-I108 HydrophobicContact CG-CG1 3.93Å; F102-F111 HydrophobicContact CE2-CB 4.42Å; F102-F111 HydrophobicContact CE2-CD1 4.01Å; F102-F111 HydrophobicContact CE2-CD2 4.44Å; F102-F111 HydrophobicContact CE2-CE1 4.34Å; F102-F111 HydrophobicContact CE2-CG 4.05Å; F102-F111 HydrophobicContact CZ-CB 3.98Å; F102-F111 HydrophobicContact CZ-CD1 4.23Å; F102-F111 AromaticContact CZ-CD2 3.92Å; F102-F111 HydrophobicContact CZ-CD2 3.92Å; F102-F111 HydrophobicContact CZ-CE2 4.44Å; F102-F111 AromaticContact CZ-CG 3.79Å; F102-F111 HydrophobicContact CZ-CG 3.79Å
103E76.1Confident83.1Confident207 Ų20772.4 Ų72.497%0.96737%0.372SS*.SBendtrans-88-4.6176.9-58.7-177.8161.500113.8
104N82.8Confident82.9Confident63 Ų6367.3 Ų67.334%0.33736%0.359SS..  trans-131.1117.6-172.1173.616000112.1N106 D107 I108N104-N106 PolarHBondContact O-N 3.16Å; N104-N106 VanDerWaalsContact O-N 3.16Å; N104-N106 PolarHBondContact OD1-N 3.42Å; N104-N106 VanDerWaalsContact OD1-N 3.1Å; N104-N106 PolarHBondContact OD1-ND2 3.4Å; N104-D107 HydrophobicContact CB-CB 4.35Å; N104-D107 WeakPolarHBondContact CB-OD2 3.26Å; N104-D107 PolarHBondContact ND2-OD1 3.11Å; N104-D107 PolarHBondContact ND2-OD2 3.3Å; N104-D107 PolarHBondContact O-N 3.17Å; N104-I108 PolarHBondContact O-N 2.88Å; N104-I108 VanDerWaalsContact O-N 3.15Å
105E78.8Confident83.1Confident55 Ų5568.2 Ų68.226%0.25736%0.36SS..Hα-helixtrans-59.2-27.8-178.6-63.6-155.8150.500114.3T66 P67 D68 T109T66-E105 VanDerWaalsContact CB-OE1 3.25Å; T66-E105 WeakPolarHBondContact CB-OE1 3.46Å; T66-E105 VanDerWaalsContact CB-OE2 3.31Å; T66-E105 WeakPolarHBondContact CB-OE2 3.29Å; T66-E105 HydrophobicContact CG2-CB 4.12Å; T66-E105 HydrophobicContact CG2-CG 4.34Å; T66-E105 PolarHBondContact OG1-OE1 2.88Å; T66-E105 PolarHBondContact OG1-OE2 3.33Å; P67-E105 WeakPolarHBondContact CD-OE1 3.49Å; D68-E105 PolarHBondContact N-OE1 3.49Å; E105-T109 VanDerWaalsContact O-CB 3.29Å; E105-T109 WeakPolarHBondContact O-CB 3.39Å; E105-T109 PolarHBondContact O-N 3.5Å; E105-T109 PolarHBondContact O-OG1 3.23Å
106N79.3Confident83Confident114 Ų11468 Ų6861%0.6136%0.359SS*.Hα-helixtrans-70.3-34.7176.6-66.8-73.3000111.9N104 T110N104-N106 PolarHBondContact O-N 3.16Å; N104-N106 VanDerWaalsContact O-N 3.16Å; N104-N106 PolarHBondContact OD1-N 3.42Å; N104-N106 VanDerWaalsContact OD1-N 3.1Å; N104-N106 PolarHBondContact OD1-ND2 3.4Å; N106-T110 WeakPolarHBondContact O-CB 3.46Å; N106-T110 PolarHBondContact O-N 3.39Å; N106-T110 PolarHBondContact O-OG1 3.02Å
107D83.1Confident82.9Confident81 Ų8171 Ų7143%0.43337%0.371SS..Hα-helixtrans-75.7-39.8178.4-62.3-28.8000110.2F102 N104 T109 T110 F111F102-D107 HydrophobicContact CD1-CB 3.9Å; F102-D107 HydrophobicContact CE1-CB 4.27Å; N104-D107 HydrophobicContact CB-CB 4.35Å; N104-D107 WeakPolarHBondContact CB-OD2 3.26Å; N104-D107 PolarHBondContact ND2-OD1 3.11Å; N104-D107 PolarHBondContact ND2-OD2 3.3Å; N104-D107 PolarHBondContact O-N 3.17Å; D107-T109 VanDerWaalsContact C-N 3.33Å; D107-T109 PolarHBondContact O-N 2.77Å; D107-T110 PolarHBondContact O-N 3.47Å; D107-F111 VanDerWaalsContact O-CB 3.22Å; D107-F111 WeakPolarHBondContact O-CB 3.38Å; D107-F111 PolarHBondContact O-N 2.79Å
108I84.3Confident83Confident6 Ų665.3 Ų65.33%0.03136%0.355CS..Hα-helixtrans-55.3-50.3169.4-58.4176.4000109.9Y23 Y64 T66 L99 F102 N104 T110 F111 V112Y23-I108 HydrophobicContact CD1-CG2 4.17Å; Y23-I108 HydrophobicContact CE1-CD1 3.85Å; Y23-I108 HydrophobicContact CE1-CG2 4.11Å; Y64-I108 HydrophobicContact CE2-CG2 4.26Å; Y64-I108 VanDerWaalsContact OH-CG2 3.28Å; Y64-I108 WeakPolarHBondContact OH-CG2 3.49Å; T66-I108 HydrophobicContact CG2-CG2 4.36Å; L99-I108 HydrophobicContact CB-CG2 4.36Å; L99-I108 HydrophobicContact CD1-CG2 4.34Å; L99-I108 HydrophobicContact CD2-CG2 4.09Å; L99-I108 HydrophobicContact CG-CG2 4.47Å; F102-I108 HydrophobicContact CB-CD1 3.97Å; F102-I108 HydrophobicContact CB-CG1 3.39Å; F102-I108 HydrophobicContact CD2-CG1 4.22Å; F102-I108 HydrophobicContact CG-CG1 3.93Å; N104-I108 PolarHBondContact O-N 2.88Å; N104-I108 VanDerWaalsContact O-N 3.15Å; I108-T110 PolarHBondContact O-N 3.06Å; I108-F111 PolarHBondContact O-N 3.42Å; I108-V112 HydrophobicContact CG2-CG2 4.41Å; I108-V112 WeakPolarHBondContact O-CG2 3.3Å; I108-V112 PolarHBondContact O-N 2.93Å
109T84Confident82.9Confident26 Ų2664 Ų6416%0.1635%0.346CS..Hα-helixtrans-64.3-39.9-178.8-62.70000112.3Y64 E105 D107 K113Y64-T109 HydrophobicContact CE1-CG2 4.1Å; Y64-T109 WeakPolarHBondContact OH-CA 3.06Å; Y64-T109 PolarHBondContact OH-N 3.33Å; Y64-T109 PolarHBondContact OH-OG1 2.96Å; E105-T109 VanDerWaalsContact O-CB 3.29Å; E105-T109 WeakPolarHBondContact O-CB 3.39Å; E105-T109 PolarHBondContact O-N 3.5Å; E105-T109 PolarHBondContact O-OG1 3.23Å; D107-T109 VanDerWaalsContact C-N 3.33Å; D107-T109 PolarHBondContact O-N 2.77Å; T109-K113 HydrophobicContact CG2-CD 4.07Å; T109-K113 WeakPolarHBondContact O-CB 3.47Å; T109-K113 WeakPolarHBondContact O-CG 3.33Å; T109-K113 PolarHBondContact O-N 2.83Å; T109-K113 VanDerWaalsContact O-N 3.07Å
110T84.1Confident82.6Confident99 Ų9965.4 Ų65.461%0.60735%0.353SS*.Hα-helixtrans-68.1-41.8176.4-57.50000111.3N106 D107 I108 G114N106-T110 WeakPolarHBondContact O-CB 3.46Å; N106-T110 PolarHBondContact O-N 3.39Å; N106-T110 PolarHBondContact O-OG1 3.02Å; D107-T110 PolarHBondContact O-N 3.47Å; I108-T110 PolarHBondContact O-N 3.06Å; T110-G114 PolarHBondContact O-N 2.73Å
111F87.1Confident82.3Confident56 Ų5664.5 Ų64.525%0.24635%0.35CS..Hα-helixtrans-64.3-48.7177.1176.6-99.5000112.4L95 T98 L99 F102 D107 I108 G114 K115L95-F111 HydrophobicContact CD2-CE1 4.05Å; L95-F111 HydrophobicContact CD2-CZ 4.48Å; T98-F111 HydrophobicContact CG2-CE1 4.03Å; T98-F111 HydrophobicContact CG2-CZ 3.77Å; L99-F111 HydrophobicContact CD2-CD1 3.59Å; L99-F111 HydrophobicContact CD2-CE1 3.79Å; F102-F111 HydrophobicContact CE2-CB 4.42Å; F102-F111 HydrophobicContact CE2-CD1 4.01Å; F102-F111 HydrophobicContact CE2-CD2 4.44Å; F102-F111 HydrophobicContact CE2-CE1 4.34Å; F102-F111 HydrophobicContact CE2-CG 4.05Å; F102-F111 HydrophobicContact CZ-CB 3.98Å; F102-F111 HydrophobicContact CZ-CD1 4.23Å; F102-F111 AromaticContact CZ-CD2 3.92Å; F102-F111 HydrophobicContact CZ-CD2 3.92Å; F102-F111 HydrophobicContact CZ-CE2 4.44Å; F102-F111 AromaticContact CZ-CG 3.79Å; F102-F111 HydrophobicContact CZ-CG 3.79Å; D107-F111 VanDerWaalsContact O-CB 3.22Å; D107-F111 WeakPolarHBondContact O-CB 3.38Å; D107-F111 PolarHBondContact O-N 2.79Å; I108-F111 PolarHBondContact O-N 3.42Å; F111-G114 PolarHBondContact O-N 2.87Å; F111-K115 HydrophobicContact CD1-CG 4.45Å; F111-K115 HydrophobicContact CD2-CG 4.44Å; F111-K115 HydrophobicContact CE1-CG 4.15Å; F111-K115 HydrophobicContact CE2-CG 4.13Å; F111-K115 HydrophobicContact CZ-CD 4.48Å; F111-K115 HydrophobicContact CZ-CG 3.98Å; F111-K115 WeakPolarHBondContact O-CB 3.48Å; F111-K115 WeakPolarHBondContact O-CG 3.41Å; F111-K115 PolarHBondContact O-N 3.13Å
112V86.6Confident81.7Confident0 Ų064.4 Ų64.40%035%0.347CS..Hα-helixtrans-61.9-46177.71720000110.8F24 Y64 L99 I108 G114 K115 V116F24-V112 HydrophobicContact CE1-CG1 4.21Å; F24-V112 HydrophobicContact CZ-CG2 4.48Å; Y64-V112 HydrophobicContact CD1-CG1 4.38Å; Y64-V112 HydrophobicContact CD2-CB 4.38Å; Y64-V112 HydrophobicContact CD2-CG1 3.86Å; Y64-V112 HydrophobicContact CD2-CG2 4.22Å; Y64-V112 HydrophobicContact CE2-CB 4.12Å; Y64-V112 HydrophobicContact CE2-CG1 4.13Å; Y64-V112 HydrophobicContact CE2-CG2 3.76Å; Y64-V112 HydrophobicContact CG-CG1 3.99Å; L99-V112 HydrophobicContact CD1-CG2 3.79Å; L99-V112 HydrophobicContact CD2-CG2 3.55Å; L99-V112 HydrophobicContact CG-CG2 4.35Å; I108-V112 HydrophobicContact CG2-CG2 4.41Å; I108-V112 WeakPolarHBondContact O-CG2 3.3Å; I108-V112 PolarHBondContact O-N 2.93Å; V112-G114 PolarHBondContact O-N 3.29Å; V112-K115 PolarHBondContact O-N 2.85Å; V112-V116 HydrophobicContact CG1-CG2 4.37Å; V112-V116 WeakPolarHBondContact O-CG2 3.44Å; V112-V116 PolarHBondContact O-N 3.28Å
113K83.9Confident80.8Confident47 Ų4766.4 Ų66.420%0.20436%0.356CS..Hα-helixtrans-60.9-45.5177-72.4179.6174.5-176.10112P5 W73 T109 Q117P5-K113 HydrophobicContact CB-CD 4.44Å; P5-K113 HydrophobicContact CB-CG 3.93Å; P5-K113 HydrophobicContact CG-CB 4.32Å; P5-K113 HydrophobicContact CG-CG 3.92Å; W73-K113 VanDerWaalsContact CE2-NZ 3.3Å; T109-K113 HydrophobicContact CG2-CD 4.07Å; T109-K113 WeakPolarHBondContact O-CB 3.47Å; T109-K113 WeakPolarHBondContact O-CG 3.33Å; T109-K113 PolarHBondContact O-N 2.83Å; T109-K113 VanDerWaalsContact O-N 3.07Å; K113-Q117 WeakPolarHBondContact O-CB 3.46Å; K113-Q117 VanDerWaalsContact O-CG 3.26Å; K113-Q117 WeakPolarHBondContact O-CG 3.42Å; K113-Q117 PolarHBondContact O-N 2.75Å
114G82.3Confident79.9Confident41 Ų4161.3 Ų61.342%0.42334%0.335SS..Hα-helixtrans-63.2-40.3176.700000113.2T110 F111 V112 G118T110-G114 PolarHBondContact O-N 2.73Å; F111-G114 PolarHBondContact O-N 2.87Å; V112-G114 PolarHBondContact O-N 3.29Å; G114-G118 PolarHBondContact O-N 2.75Å
115K87.6Confident78.5Confident100 Ų10066 Ų6644%0.43535%0.352SS..Hα-helixtrans-66-47.9176-78.1-71.4-174.1174.80112.2L95 F111 V112 Q117 G118 I119L95-K115 HydrophobicContact CD2-CB 4.33Å; L95-K115 HydrophobicContact CD2-CG 4.12Å; F111-K115 HydrophobicContact CD1-CG 4.45Å; F111-K115 HydrophobicContact CD2-CG 4.44Å; F111-K115 HydrophobicContact CE1-CG 4.15Å; F111-K115 HydrophobicContact CE2-CG 4.13Å; F111-K115 HydrophobicContact CZ-CD 4.48Å; F111-K115 HydrophobicContact CZ-CG 3.98Å; F111-K115 WeakPolarHBondContact O-CB 3.48Å; F111-K115 WeakPolarHBondContact O-CG 3.41Å; F111-K115 PolarHBondContact O-N 3.13Å; V112-K115 PolarHBondContact O-N 2.85Å; K115-Q117 VanDerWaalsContact C-N 3.34Å; K115-Q117 PolarHBondContact O-N 2.9Å; K115-G118 PolarHBondContact O-N 2.73Å; K115-G118 VanDerWaalsContact O-N 3.12Å; K115-I119 WeakPolarHBondContact O-CG1 3.21Å; K115-I119 PolarHBondContact O-N 3.07Å
116V86.1Confident77.1Confident0 Ų069.6 Ų69.60%037%0.374CS..Hα-helixtrans-61.3-42177.3173.50000111.2W2 V3 P5 I75 V112 G118 I119 I120W2-V116 HydrophobicContact CE3-CG1 4.29Å; W2-V116 HydrophobicContact CE3-CG2 4.43Å; W2-V116 HydrophobicContact CZ3-CG2 4.36Å; V3-V116 WeakPolarHBondContact O-CG1 3.48Å; P5-V116 HydrophobicContact CG-CB 4.4Å; P5-V116 HydrophobicContact CG-CG1 4.25Å; I75-V116 HydrophobicContact CB-CG1 4.41Å; I75-V116 HydrophobicContact CB-CG2 4.19Å; I75-V116 HydrophobicContact CG2-CG2 4.34Å; V112-V116 HydrophobicContact CG1-CG2 4.37Å; V112-V116 WeakPolarHBondContact O-CG2 3.44Å; V112-V116 PolarHBondContact O-N 3.28Å; V116-G118 VanDerWaalsContact C-N 3.34Å; V116-G118 PolarHBondContact O-N 3.41Å; V116-I119 PolarHBondContact O-N 3.09Å; V116-I120 HydrophobicContact CG1-CD1 3.96Å; V116-I120 WeakPolarHBondContact O-CD1 3.33Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.44Å; V116-I120 PolarHBondContact O-N 2.66Å; V116-I120 VanDerWaalsContact O-N 3.08Å
117Q81.9Confident75.7Confident102 Ų10271 Ų7148%0.47738%0.376SS..Hα-helixtrans-63.5-37173.7-73.2174.7-4.700112.9K113 K115 I120 A121K113-Q117 WeakPolarHBondContact O-CB 3.46Å; K113-Q117 VanDerWaalsContact O-CG 3.26Å; K113-Q117 WeakPolarHBondContact O-CG 3.42Å; K113-Q117 PolarHBondContact O-N 2.75Å; K115-Q117 VanDerWaalsContact C-N 3.34Å; K115-Q117 PolarHBondContact O-N 2.9Å; Q117-I120 PolarHBondContact O-N 2.66Å; Q117-A121 PolarHBondContact O-N 3.42Å
118G80.8Confident73.6Confident38 Ų3872.8 Ų72.839%0.39239%0.386SS..Hα-helixtrans-61.6-47.5173.400000112.9G114 K115 V116 I120 A121 E122G114-G118 PolarHBondContact O-N 2.75Å; K115-G118 PolarHBondContact O-N 2.73Å; K115-G118 VanDerWaalsContact O-N 3.12Å; V116-G118 VanDerWaalsContact C-N 3.34Å; V116-G118 PolarHBondContact O-N 3.41Å; G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 3.47Å; G118-A121 WeakPolarHBondContact O-CB 3.44Å; G118-A121 PolarHBondContact O-N 2.7Å; G118-A121 VanDerWaalsContact O-N 3.14Å; G118-E122 PolarHBondContact O-N 2.79Å
119I82.6Confident71.5Confident26 Ų2678.7 Ų78.713%0.13342%0.422CS..Hα-helixtrans-60.8-40.7177.6-59.9159.7000110.8W2 W90 K115 V116 E122 F123W2-I119 HydrophobicContact CD2-CG2 4.24Å; W2-I119 HydrophobicContact CG-CG2 4.04Å; W2-I119 HydrophobicContact CH2-CD1 4.32Å; W2-I119 HydrophobicContact CZ2-CD1 4.18Å; W90-I119 HydrophobicContact CE3-CD1 4.14Å; W90-I119 HydrophobicContact CH2-CD1 3.41Å; W90-I119 VanDerWaalsContact CH2-CD1 3.41Å; W90-I119 HydrophobicContact CH2-CG1 4.15Å; W90-I119 HydrophobicContact CZ2-CD1 4.03Å; W90-I119 HydrophobicContact CZ2-CG1 4.44Å; W90-I119 HydrophobicContact CZ3-CD1 3.46Å; W90-I119 VanDerWaalsContact CZ3-CD1 3.46Å; K115-I119 WeakPolarHBondContact O-CG1 3.21Å; K115-I119 PolarHBondContact O-N 3.07Å; V116-I119 PolarHBondContact O-N 3.09Å; I119-E122 PolarHBondContact O-N 2.96Å; I119-F123 VanDerWaalsContact O-CB 3.29Å; I119-F123 WeakPolarHBondContact O-CB 3.45Å; I119-F123 PolarHBondContact O-N 2.99Å
120I78.2Confident69.5Low31 Ų3186.4 Ų86.416%0.15945%0.453CS..Hα-helixtrans-63.9-42175.8-67.7162.3000111.1W2 V3 I4 V116 Q117 G118 E122 N124W2-I120 HydrophobicContact CB-CD1 4.19Å; W2-I120 HydrophobicContact CB-CG1 3.67Å; V3-I120 WeakPolarHBondContact O-CD1 3.46Å; I4-I120 HydrophobicContact CG1-CD1 4.42Å; V116-I120 HydrophobicContact CG1-CD1 3.96Å; V116-I120 WeakPolarHBondContact O-CD1 3.33Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.44Å; V116-I120 PolarHBondContact O-N 2.66Å; V116-I120 VanDerWaalsContact O-N 3.08Å; Q117-I120 PolarHBondContact O-N 2.66Å; G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 3.47Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 PolarHBondContact O-N 2.93Å; I120-N124 WeakPolarHBondContact O-CB 3.5Å; I120-N124 PolarHBondContact O-N 3.22Å; I120-N124 VanDerWaalsContact O-N 3.09Å; I120-N124 PolarHBondContact O-ND2 3.39Å
121A72.8Confident67.7Low61 Ų6188.9 Ų88.950%0.50446%0.458SS..Hα-helixtrans-65.3-36.1177.200000112.6Q117 G118 K125Q117-A121 PolarHBondContact O-N 3.42Å; G118-A121 WeakPolarHBondContact O-CB 3.44Å; G118-A121 PolarHBondContact O-N 2.7Å; G118-A121 VanDerWaalsContact O-N 3.14Å; A121-K125 PolarHBondContact O-N 3.29Å
122E70.5Confident66Low132 Ų13290.5 Ų90.562%0.61747%0.469SS*.Hα-helixtrans-73.5-44.4177.3-172.2162.8-144.300112.3G118 I119 I120 N124 K125 N126G118-E122 PolarHBondContact O-N 2.79Å; I119-E122 PolarHBondContact O-N 2.96Å; I120-E122 VanDerWaalsContact C-N 3.34Å; I120-E122 PolarHBondContact O-N 2.93Å; E122-N124 VanDerWaalsContact C-N 3.33Å; E122-N124 PolarHBondContact O-N 2.7Å; E122-K125 VanDerWaalsContact O-CB 3.26Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 2.91Å; E122-N126 PolarHBondContact O-N 3.18Å
123F63.8Low64.6Low109 Ų10992.7 Ų92.748%0.47848%0.481SS..Hα-helixtrans-59.7-41.3176-170.5-92.8000112.3I119 K125I119-F123 VanDerWaalsContact O-CB 3.29Å; I119-F123 WeakPolarHBondContact O-CB 3.45Å; I119-F123 PolarHBondContact O-N 2.99Å; F123-K125 VanDerWaalsContact C-N 3.28Å; F123-K125 PolarHBondContact O-N 3.05Å
124N56.7Low63.7Low101 Ų10191.6 Ų91.654%0.5448%0.477SS..Hα-helixtrans-65.8-30.4174.5-71-28000112.7I120 E122 H127I120-N124 WeakPolarHBondContact O-CB 3.5Å; I120-N124 PolarHBondContact O-N 3.22Å; I120-N124 VanDerWaalsContact O-N 3.09Å; I120-N124 PolarHBondContact O-ND2 3.39Å; E122-N124 VanDerWaalsContact C-N 3.33Å; E122-N124 PolarHBondContact O-N 2.7Å; N124-H127 PolarHBondContact O-N 2.97Å
125K53.9Low63.2Low160 Ų16091.4 Ų91.470%0.69647%0.468SS*.Hα-helixtrans-69.8-33.6-175.9-143.5-178.8-176.5-171.60113A121 E122 F123 H127A121-K125 PolarHBondContact O-N 3.29Å; E122-K125 VanDerWaalsContact O-CB 3.26Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 2.91Å; F123-K125 VanDerWaalsContact C-N 3.28Å; F123-K125 PolarHBondContact O-N 3.05Å; K125-H127 VanDerWaalsContact C-N 3.29Å; K125-H127 PolarHBondContact O-N 3.27Å
126N49.8Very low62.3Low131 Ų13192.8 Ų92.870%0.70148%0.48SS*.THydrogen-bonded Turntrans-80.5-8.1-179.2-68.2-7.7000113.5E122E122-N126 PolarHBondContact O-N 3.18Å
127H49.3Very low61.6Low145 Ų14599.2 Ų99.267%0.67151%0.508SS*.THydrogen-bonded Turntrans-95.8-2.1174.1-92.3-61.9000114.1N124 K125 V129N124-H127 PolarHBondContact O-N 2.97Å; K125-H127 VanDerWaalsContact C-N 3.29Å; K125-H127 PolarHBondContact O-N 3.27Å; H127-V129 PolarHBondContact O-N 3.2Å
128D40.1Very low61.5Low118 Ų11894.5 Ų94.563%0.63149%0.486SS*.  trans-8134.5-168.6-137.5-3.2000114.2
129V40.6Very low61.5Low130 Ų13096.3 Ų96.379%0.78848%0.483SS*.SBendtrans-102.652.4176.6-167.30000110.9H127H127-V129 PolarHBondContact O-N 3.2Å
130K41.9Very low61.5Low187 Ų18799.5 Ų99.581%0.81350%0.497SS*.SBendtrans169.1110.3152.7-95.5157.2-174.1174.50107.5D132K130-D132 PolarHBondContact O-N 3.19Å
131E44.8Very low61.7Low151 Ų15198.3 Ų98.371%0.70649%0.492SS*.  trans-65.776.7168.6-74-166.3141.200110.5D133 K267E131-D133 PolarHBondContact O-N 3.28Å; E131-K267 IonicContact OE2-NZ 3.23Å; E131-K267 PolarHBondContact OE2-NZ 2.81Å
132D51.6Low62.3Low91 Ų9196.4 Ų96.449%0.48748%0.475SS..  trans-80.4114.4176-177.828.9000109.7K130 D134 K139K130-D132 PolarHBondContact O-N 3.19Å; D132-D134 PolarHBondContact O-N 3.38Å; D132-K139 PolarHBondContact O-NZ 3.41Å; D132-K139 WeakPolarHBondContact OD2-CE 3.45Å; D132-K139 IonicContact OD2-NZ 3.47Å
133D56.6Low62.9Low46 Ų4692 Ų9225%0.24646%0.459CS..  trans-71.710.4-163.6-15261.1000113.7E131 L268 R281E131-D133 PolarHBondContact O-N 3.28Å; D133-L268 PolarHBondContact OD1-N 3Å; D133-L268 WeakPolarHBondContact OD2-CB 3.43Å; D133-L268 PolarHBondContact OD2-N 3.16Å; D133-L268 VanDerWaalsContact OD2-N 3.16Å; D133-R281 PolarHBondContact O-NH2 3.31Å; D133-R281 IonicContact OD2-CZ 3.23Å; D133-R281 IonicContact OD2-NH1 2.82Å; D133-R281 PolarHBondContact OD2-NH1 3.44Å; D133-R281 IonicContact OD2-NH2 2.84Å; D133-R281 PolarHBondContact OD2-NH2 3.37Å
134D65.7Low64Low24 Ų2490 Ų9013%0.12845%0.45CS..SBendtrans-103.6149.8-178.5-81.34000113.2D132 F138 K139 S277 A278 R281D132-D134 PolarHBondContact O-N 3.38Å; D134-F138 HydrophobicContact CB-CD1 4.12Å; D134-F138 WeakPolarHBondContact OD2-CD1 3.07Å; D134-F138 VanDerWaalsContact OD2-CE1 3.3Å; D134-F138 WeakPolarHBondContact OD2-CE1 3.41Å; D134-K139 VanDerWaalsContact O-CE 3.27Å; D134-K139 WeakPolarHBondContact O-CE 3.28Å; D134-K139 PolarHBondContact O-NZ 2.84Å; D134-S277 WeakPolarHBondContact OD1-CA 3.33Å; D134-S277 WeakPolarHBondContact OD2-CB 3.19Å; D134-A278 PolarHBondContact OD1-N 2.78Å; D134-R281 IonicContact OD1-NH2 2.73Å
135T72.3Confident65.5Low37 Ų3785.2 Ų85.223%0.22742%0.424CS..  trans-75.9152.8-178.4690000112.6K137 F138 K139 K274T135-K137 PolarHBondContact O-N 3.37Å; T135-F138 CarbonylContact O-C 3.58Å; T135-F138 WeakPolarHBondContact O-CA 2.84Å; T135-F138 WeakPolarHBondContact O-CB 3.27Å; T135-F138 PolarHBondContact O-N 3.5Å; T135-K139 PolarHBondContact O-N 3.4Å; T135-K274 PolarHBondContact OG1-O 3.07Å
136D69.4Low67Low128 Ų12881.9 Ų81.968%0.68441%0.407SS*.Hα-helixtrans-61.1-31.8-177.1-40.8-60.6000112.5F138 K139 E140D136-F138 VanDerWaalsContact C-N 3.32Å; D136-F138 PolarHBondContact O-N 2.98Å; D136-K139 PolarHBondContact O-N 2.94Å; D136-E140 WeakPolarHBondContact O-CB 3.46Å; D136-E140 PolarHBondContact O-N 2.88Å
137K70.6Confident68.7Low135 Ų13584 Ų8459%0.58741%0.41SS*.Hα-helixtrans-67-31.7172.5-64.8-159.8174.7-1590112.7T135 A141T135-K137 PolarHBondContact O-N 3.37Å; K137-A141 WeakPolarHBondContact O-CB 3.07Å; K137-A141 PolarHBondContact O-N 3.44Å
138F80.7Confident70.5Confident4 Ų479.4 Ų79.42%0.01839%0.39CS..Hα-helixtrans-74.5-43.6172.1-168.7-95.3000111.1D134 T135 D136 E140 A141 S142 L157 Y160D134-F138 HydrophobicContact CB-CD1 4.12Å; D134-F138 WeakPolarHBondContact OD2-CD1 3.07Å; D134-F138 VanDerWaalsContact OD2-CE1 3.3Å; D134-F138 WeakPolarHBondContact OD2-CE1 3.41Å; T135-F138 CarbonylContact O-C 3.58Å; T135-F138 WeakPolarHBondContact O-CA 2.84Å; T135-F138 WeakPolarHBondContact O-CB 3.27Å; T135-F138 PolarHBondContact O-N 3.5Å; D136-F138 VanDerWaalsContact C-N 3.32Å; D136-F138 PolarHBondContact O-N 2.98Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 2.76Å; F138-A141 CarbonylContact O-C 3.47Å; F138-A141 WeakPolarHBondContact O-CA 3.5Å; F138-A141 WeakPolarHBondContact O-CB 3.43Å; F138-A141 PolarHBondContact O-N 2.86Å; F138-S142 VanDerWaalsContact CE1-OG 3.31Å; F138-S142 WeakPolarHBondContact CE1-OG 3.4Å; F138-S142 PolarHBondContact O-N 2.75Å; F138-S142 PolarHBondContact O-OG 2.69Å; F138-L157 HydrophobicContact CE2-CD2 4.05Å; F138-L157 HydrophobicContact CE2-CG 4.34Å; F138-L157 HydrophobicContact CZ-CB 4.15Å; F138-L157 HydrophobicContact CZ-CD2 3.87Å; F138-L157 HydrophobicContact CZ-CG 3.87Å; F138-L157 WeakPolarHBondContact CZ-O 3.49Å; F138-Y160 HydrophobicContact CD2-CD1 4.11Å; F138-Y160 AromaticContact CD2-CE1 3.87Å; F138-Y160 HydrophobicContact CD2-CE1 3.87Å; F138-Y160 HydrophobicContact CE2-CD1 4.07Å; F138-Y160 HydrophobicContact CE2-CE1 4.31Å
139K80.4Confident72.7Confident75 Ų7574 Ų7433%0.32636%0.361SS..Hα-helixtrans-56.7-42.6174-70.3162.4172152.40112D132 D134 T135 D136 S142 S143D132-K139 PolarHBondContact O-NZ 3.41Å; D132-K139 WeakPolarHBondContact OD2-CE 3.45Å; D132-K139 IonicContact OD2-NZ 3.47Å; D134-K139 VanDerWaalsContact O-CE 3.27Å; D134-K139 WeakPolarHBondContact O-CE 3.28Å; D134-K139 PolarHBondContact O-NZ 2.84Å; T135-K139 PolarHBondContact O-N 3.4Å; D136-K139 PolarHBondContact O-N 2.94Å; K139-S142 PolarHBondContact O-N 3Å; K139-S143 PolarHBondContact O-N 2.91Å
140E81.6Confident74.6Confident94 Ų9470.5 Ų70.544%0.43935%0.352SS..Hα-helixtrans-63.1-42.2173-160-151.1177.700112D136 F138 S143 K144D136-E140 WeakPolarHBondContact O-CB 3.46Å; D136-E140 PolarHBondContact O-N 2.88Å; F138-E140 VanDerWaalsContact C-N 3.31Å; F138-E140 PolarHBondContact O-N 2.76Å; E140-S143 PolarHBondContact O-N 2.61Å; E140-K144 VanDerWaalsContact CD-CE 3.43Å; E140-K144 WeakPolarHBondContact O-CG 3.46Å; E140-K144 PolarHBondContact O-N 2.76Å; E140-K144 WeakPolarHBondContact OE1-CE 3.39Å; E140-K144 IonicContact OE1-NZ 2.75Å; E140-K144 PolarHBondContact OE1-NZ 3.46Å; E140-K144 IonicContact OE2-NZ 3.81Å; E140-K144 PolarHBondContact OE2-NZ 2.7Å
141A83.3Confident76.5Confident5 Ų562.5 Ų62.54%0.04132%0.318CS..Hα-helixtrans-65.4-38.8176.300000112.6K137 F138 K144 F145 L157 Y160K137-A141 WeakPolarHBondContact O-CB 3.07Å; K137-A141 PolarHBondContact O-N 3.44Å; F138-A141 CarbonylContact O-C 3.47Å; F138-A141 WeakPolarHBondContact O-CA 3.5Å; F138-A141 WeakPolarHBondContact O-CB 3.43Å; F138-A141 PolarHBondContact O-N 2.86Å; A141-K144 WeakPolarHBondContact O-CB 3.43Å; A141-K144 PolarHBondContact O-N 3.36Å; A141-F145 WeakPolarHBondContact O-CB 3.33Å; A141-F145 PolarHBondContact O-N 2.65Å; A141-L157 HydrophobicContact CB-CD2 4.47Å; A141-Y160 HydrophobicContact CB-CD1 3.76Å; A141-Y160 HydrophobicContact CB-CE1 3.44Å; A141-Y160 VanDerWaalsContact CB-CE1 3.44Å; A141-Y160 HydrophobicContact CB-CE2 4.29Å; A141-Y160 HydrophobicContact CB-CG 4.33Å
142S85.4Confident78.1Confident21 Ų2157.4 Ų57.415%0.14730%0.297CS..Hα-helixtrans-68.1-34.5174.7-63.70000112.8F138 K139 R146F138-S142 VanDerWaalsContact CE1-OG 3.31Å; F138-S142 WeakPolarHBondContact CE1-OG 3.4Å; F138-S142 PolarHBondContact O-N 2.75Å; F138-S142 PolarHBondContact O-OG 2.69Å; K139-S142 PolarHBondContact O-N 3Å; S142-R146 PolarHBondContact O-N 3.18Å; S142-R146 VanDerWaalsContact O-N 3.13Å
143S82.4Confident79.2Confident41 Ų4158 Ų5829%0.28730%0.301SS..Hα-helixtrans-69.7-39.6171.4-168.30000111.9K139 E140 K147K139-S143 PolarHBondContact O-N 2.91Å; E140-S143 PolarHBondContact O-N 2.61Å; S143-K147 WeakPolarHBondContact O-CB 3.49Å; S143-K147 WeakPolarHBondContact O-CG 3.41Å; S143-K147 PolarHBondContact O-N 3.46Å; S143-K147 VanDerWaalsContact O-N 3.1Å
144K86.1Confident80.3Confident66 Ų6660.7 Ų60.729%0.28731%0.312SS..Hα-helixtrans-62-46.1171.8-73.4165.7-176.6165.70111.4E140 A141 K147 L148E140-K144 VanDerWaalsContact CD-CE 3.43Å; E140-K144 WeakPolarHBondContact O-CG 3.46Å; E140-K144 PolarHBondContact O-N 2.76Å; E140-K144 WeakPolarHBondContact OE1-CE 3.39Å; E140-K144 IonicContact OE1-NZ 2.75Å; E140-K144 PolarHBondContact OE1-NZ 3.46Å; E140-K144 IonicContact OE2-NZ 3.81Å; E140-K144 PolarHBondContact OE2-NZ 2.7Å; A141-K144 WeakPolarHBondContact O-CB 3.43Å; A141-K144 PolarHBondContact O-N 3.36Å; K144-K147 PolarHBondContact O-N 3.41Å; K144-L148 HydrophobicContact CB-CD1 4.4Å; K144-L148 VanDerWaalsContact O-CB 3.27Å; K144-L148 WeakPolarHBondContact O-CB 3.48Å; K144-L148 WeakPolarHBondContact O-CG 3.5Å; K144-L148 PolarHBondContact O-N 3.29Å
145F89.2Confident81.2Confident1 Ų159.7 Ų59.70%0.00431%0.306CS..Hα-helixtrans-54.2-55.9176.6169.2-102.9000111.5A141 K147 L148 F149 M151 E155 L157 Y177 C184A141-F145 WeakPolarHBondContact O-CB 3.33Å; A141-F145 PolarHBondContact O-N 2.65Å; F145-K147 PolarHBondContact O-N 3.18Å; F145-L148 PolarHBondContact O-N 3.31Å; F145-F149 AromaticContact CD2-CD2 3.49Å; F145-F149 HydrophobicContact CD2-CD2 3.49Å; F145-F149 VanDerWaalsContact CD2-CD2 3.49Å; F145-F149 AromaticContact CD2-CE2 3.87Å; F145-F149 HydrophobicContact CD2-CE2 3.87Å; F145-F149 AromaticContact CE2-CD2 3.86Å; F145-F149 HydrophobicContact CE2-CD2 3.86Å; F145-F149 HydrophobicContact CE2-CE2 4.38Å; F145-F149 HydrophobicContact CG-CD2 4.29Å; F145-F149 VanDerWaalsContact O-CD2 3.28Å; F145-F149 WeakPolarHBondContact O-CD2 3.36Å; F145-F149 PolarHBondContact O-N 2.92Å; F145-M151 HydrophobicContact CE1-CB 3.94Å; F145-M151 HydrophobicContact CE1-CG 3.91Å; F145-M151 HydrophobicContact CE2-CG 4.42Å; F145-M151 HydrophobicContact CZ-CB 4.31Å; F145-M151 HydrophobicContact CZ-CG 3.76Å; F145-E155 HydrophobicContact CE1-CG 4.06Å; F145-E155 HydrophobicContact CZ-CG 4.11Å; F145-L157 HydrophobicContact CB-CD1 4.5Å; F145-L157 HydrophobicContact CB-CD2 4.32Å; F145-L157 HydrophobicContact CD1-CB 4.21Å; F145-L157 HydrophobicContact CD1-CD1 4.48Å; F145-L157 HydrophobicContact CD2-CD1 4.01Å; F145-L157 HydrophobicContact CE2-CD1 4.36Å; F145-L157 HydrophobicContact CG-CB 4.5Å; F145-L157 HydrophobicContact CG-CD1 4.08Å; F145-Y177 HydrophobicContact CB-CD1 3.97Å; F145-Y177 HydrophobicContact CB-CE1 4.25Å; F145-Y177 HydrophobicContact CD2-CD1 4.04Å; F145-Y177 AromaticContact CD2-CG 3.93Å; F145-Y177 HydrophobicContact CD2-CG 3.93Å; F145-Y177 HydrophobicContact CG-CD1 4.42Å; F145-C184 HydrophobicContact CE2-CB 4.2Å
146R86.4Confident81.8Confident89 Ų8964 Ų6434%0.33632%0.322SS..Hα-helixtrans-54.9-49177.2-77-174.7-81.6159.9-16.4112.4S142 G150 M151 D153S142-R146 PolarHBondContact O-N 3.18Å; S142-R146 VanDerWaalsContact O-N 3.13Å; R146-G150 WeakPolarHBondContact O-CA 3.48Å; R146-G150 PolarHBondContact O-N 3.25Å; R146-M151 HydrophobicContact CG-CB 4.42Å; R146-M151 PolarHBondContact O-N 3.26Å; R146-D153 VanDerWaalsContact CD-OD1 3.24Å; R146-D153 WeakPolarHBondContact CD-OD1 3.47Å; R146-D153 IonicContact CZ-OD1 2.7Å; R146-D153 IonicContact CZ-OD2 3.42Å; R146-D153 IonicContact NE-OD1 3.54Å; R146-D153 IonicContact NH1-OD1 2.7Å; R146-D153 PolarHBondContact NH1-OD1 2.87Å; R146-D153 IonicContact NH1-OD2 3.29Å; R146-D153 PolarHBondContact NH1-OD2 3.09Å
147K84.6Confident82.8Confident175 Ų17558.4 Ų58.476%0.76129%0.292SS*.Hα-helixtrans-69.2-33.1-178-71.4176.4176.5177.80114.9S143 K144 F145S143-K147 WeakPolarHBondContact O-CB 3.49Å; S143-K147 WeakPolarHBondContact O-CG 3.41Å; S143-K147 PolarHBondContact O-N 3.46Å; S143-K147 VanDerWaalsContact O-N 3.1Å; K144-K147 PolarHBondContact O-N 3.41Å; F145-K147 PolarHBondContact O-N 3.18Å
148L86.2Confident83.7Confident49 Ų4952 Ų5226%0.25726%0.264SS..Hα-helixtrans-78.4-34.4179.4-71.6172.9000112.3K144 F145 Y186 K195K144-L148 HydrophobicContact CB-CD1 4.4Å; K144-L148 VanDerWaalsContact O-CB 3.27Å; K144-L148 WeakPolarHBondContact O-CB 3.48Å; K144-L148 WeakPolarHBondContact O-CG 3.5Å; K144-L148 PolarHBondContact O-N 3.29Å; F145-L148 PolarHBondContact O-N 3.31Å; L148-Y186 HydrophobicContact CD1-CD1 3.98Å; L148-Y186 HydrophobicContact CD1-CD2 4.18Å; L148-Y186 HydrophobicContact CD1-CE1 4.38Å; L148-Y186 HydrophobicContact CD1-CG 3.87Å; L148-Y186 HydrophobicContact CD2-CD2 3.98Å; L148-Y186 HydrophobicContact CD2-CE1 4.25Å; L148-Y186 HydrophobicContact CD2-CE2 3.64Å; L148-Y186 HydrophobicContact CD2-CG 4.41Å; L148-Y186 HydrophobicContact CG-CD2 4.47Å; L148-K195 WeakPolarHBondContact O-CE 3.32Å; L148-K195 PolarHBondContact O-NZ 3.09Å
149F86.4Confident84.3Confident4 Ų452.2 Ų52.22%0.01827%0.265CS..Hα-helixtrans-102.2-17.3-173.4-61.7-66.6000114.4F145 M151 Y177 C184 K195 V197F145-F149 AromaticContact CD2-CD2 3.49Å; F145-F149 HydrophobicContact CD2-CD2 3.49Å; F145-F149 VanDerWaalsContact CD2-CD2 3.49Å; F145-F149 AromaticContact CD2-CE2 3.87Å; F145-F149 HydrophobicContact CD2-CE2 3.87Å; F145-F149 AromaticContact CE2-CD2 3.86Å; F145-F149 HydrophobicContact CE2-CD2 3.86Å; F145-F149 HydrophobicContact CE2-CE2 4.38Å; F145-F149 HydrophobicContact CG-CD2 4.29Å; F145-F149 VanDerWaalsContact O-CD2 3.28Å; F145-F149 WeakPolarHBondContact O-CD2 3.36Å; F145-F149 PolarHBondContact O-N 2.92Å; F149-M151 HydrophobicContact CB-CE 4.17Å; F149-M151 HydrophobicContact CB-CG 3.7Å; F149-Y177 AromaticContact CE2-CD2 3.64Å; F149-Y177 HydrophobicContact CE2-CD2 3.64Å; F149-Y177 HydrophobicContact CE2-CE2 4.04Å; F149-Y177 HydrophobicContact CE2-CG 4.13Å; F149-Y177 HydrophobicContact CZ-CD2 4.03Å; F149-Y177 HydrophobicContact CZ-CE2 4.4Å; F149-C184 HydrophobicContact CD1-CB 3.95Å; F149-C184 HydrophobicContact CD2-CB 3.93Å; F149-C184 HydrophobicContact CE1-CB 3.68Å; F149-C184 HydrophobicContact CE2-CB 3.67Å; F149-C184 HydrophobicContact CG-CB 4.08Å; F149-C184 HydrophobicContact CZ-CB 3.53Å; F149-K195 HydrophobicContact CD1-CD 4.48Å; F149-K195 HydrophobicContact CD1-CG 3.96Å; F149-K195 HydrophobicContact CE1-CG 3.91Å; F149-K195 PolarHBondContact O-NZ 2.68Å; F149-V197 HydrophobicContact CB-CG2 4.37Å; F149-V197 HydrophobicContact CD1-CG2 3.5Å; F149-V197 VanDerWaalsContact CD1-CG2 3.5Å; F149-V197 HydrophobicContact CE1-CG2 4.19Å; F149-V197 HydrophobicContact CG-CG2 4.24Å
150G80.9Confident84.8Confident57 Ų5750.7 Ų50.759%0.58826%0.258SS*.THydrogen-bonded Turntrans77.730.3-173.900000112.1R146R146-G150 WeakPolarHBondContact O-CA 3.48Å; R146-G150 PolarHBondContact O-N 3.25Å
151M82.6Confident85.2Confident20 Ų2047.4 Ų47.410%0.09924%0.242CC..  trans-85.2141-173.1-67.8-71.1-177.600111.6F145 R146 F149 E155 H182 V197F145-M151 HydrophobicContact CE1-CB 3.94Å; F145-M151 HydrophobicContact CE1-CG 3.91Å; F145-M151 HydrophobicContact CE2-CG 4.42Å; F145-M151 HydrophobicContact CZ-CB 4.31Å; F145-M151 HydrophobicContact CZ-CG 3.76Å; R146-M151 HydrophobicContact CG-CB 4.42Å; R146-M151 PolarHBondContact O-N 3.26Å; F149-M151 HydrophobicContact CB-CE 4.17Å; F149-M151 HydrophobicContact CB-CG 3.7Å; M151-E155 HydrophobicContact CB-CB 4.2Å; M151-E155 HydrophobicContact CB-CG 4.31Å; M151-E155 HydrophobicContact CG-CG 4.39Å; M151-E155 HydrophobicContact SD-CG 3.98Å; M151-H182 HydrophobicContact CE-CB 4.15Å; M151-V197 HydrophobicContact CE-CG1 3.62Å; M151-V197 HydrophobicContact CE-CG2 4.37Å
152P78.5Confident85.4Confident43 Ų4348.7 Ų48.728%0.27925%0.251SS..  trans-70167.5178.332-36.7000111.9E154 E155 W839P152-E154 PolarHBondContact O-N 3.31Å; P152-E155 HydrophobicContact CG-CB 4.11Å; P152-E155 PolarHBondContact O-N 3.46Å; P152-E155 VanDerWaalsContact O-N 3.13Å; P152-W839 HydrophobicContact CG-CD2 3.83Å; P152-W839 HydrophobicContact CG-CE3 4.49Å; P152-W839 HydrophobicContact CG-CG 3.98Å; P152-W839 HydrophobicContact CG-CZ2 4.04Å
153D74.4Confident85.7Confident105 Ų10547.8 Ų47.856%0.56124%0.244SC*.THydrogen-bonded Turntrans-72.5-19.2-175.5-89.233.6000113R146 E155R146-D153 VanDerWaalsContact CD-OD1 3.24Å; R146-D153 WeakPolarHBondContact CD-OD1 3.47Å; R146-D153 IonicContact CZ-OD1 2.7Å; R146-D153 IonicContact CZ-OD2 3.42Å; R146-D153 IonicContact NE-OD1 3.54Å; R146-D153 IonicContact NH1-OD1 2.7Å; R146-D153 PolarHBondContact NH1-OD1 2.87Å; R146-D153 IonicContact NH1-OD2 3.29Å; R146-D153 PolarHBondContact NH1-OD2 3.09Å; D153-E155 VanDerWaalsContact C-N 3.34Å
154E79.6Confident86.1Confident101 Ų10146.6 Ų46.647%0.47224%0.236SC..THydrogen-bonded Turntrans-70.4-28.2172-65.261.7-133.200111.9P152 K156 W839P152-E154 PolarHBondContact O-N 3.31Å; E154-K156 PolarHBondContact O-N 3.35Å; E154-W839 HydrophobicContact CB-CB 4.17Å; E154-W839 HydrophobicContact CB-CG 4.18Å; E154-W839 HydrophobicContact CG-CB 4.42Å
155E83.8Confident86.3Confident3 Ų344.6 Ų44.61%0.01423%0.226CC..SBendtrans-79.485.9-178-172.262.9-166.400111.8F145 M151 P152 D153 L157 S179 N181 H182 W839F145-E155 HydrophobicContact CE1-CG 4.06Å; F145-E155 HydrophobicContact CZ-CG 4.11Å; M151-E155 HydrophobicContact CB-CB 4.2Å; M151-E155 HydrophobicContact CB-CG 4.31Å; M151-E155 HydrophobicContact CG-CG 4.39Å; M151-E155 HydrophobicContact SD-CG 3.98Å; P152-E155 HydrophobicContact CG-CB 4.11Å; P152-E155 PolarHBondContact O-N 3.46Å; P152-E155 VanDerWaalsContact O-N 3.13Å; D153-E155 VanDerWaalsContact C-N 3.34Å; E155-L157 PolarHBondContact O-N 3.08Å; E155-S179 VanDerWaalsContact OE1-CB 3.24Å; E155-S179 WeakPolarHBondContact OE1-CB 3.35Å; E155-S179 PolarHBondContact OE1-OG 2.82Å; E155-N181 WeakPolarHBondContact OE1-CB 3.36Å; E155-N181 PolarHBondContact OE1-N 2.8Å; E155-N181 PolarHBondContact OE2-ND2 3.33Å; E155-H182 IonicContact OE1-CE1 3.32Å; E155-H182 IonicContact OE1-CG 2.68Å; E155-H182 PolarHBondContact OE1-N 3.13Å; E155-H182 IonicContact OE1-ND1 3.7Å; E155-H182 PolarHBondContact OE1-ND1 3.36Å; E155-H182 IonicContact OE2-ND1 3.8Å; E155-W839 HydrophobicContact CB-CZ2 4.48Å; E155-W839 PolarHBondContact OE2-NE1 3.21Å
156K86.1Confident86.1Confident129 Ų12947.5 Ų47.556%0.56124%0.237SC*.  trans-76.2124.6-174.9-67.6160.5-167.61690111.9E154 S179 I180 L279E154-K156 PolarHBondContact O-N 3.35Å; K156-S179 WeakPolarHBondContact O-CA 3.31Å; K156-S179 WeakPolarHBondContact O-CB 3.32Å; K156-I180 HydrophobicContact CB-CD1 3.9Å; K156-I180 HydrophobicContact CB-CG1 4.36Å; K156-I180 HydrophobicContact CD-CD1 4.44Å; K156-I180 PolarHBondContact O-N 3.21Å; K156-L279 HydrophobicContact CB-CD2 3.84Å
157L90.1Very high85.9Confident9 Ų949.7 Ų49.75%0.04725%0.25CC..EExtended strand (participates in β ladder)trans-64.6130.3169.1-176.267.8000109.6F138 A141 F145 E155 Y160 Y177 L178F138-L157 HydrophobicContact CE2-CD2 4.05Å; F138-L157 HydrophobicContact CE2-CG 4.34Å; F138-L157 HydrophobicContact CZ-CB 4.15Å; F138-L157 HydrophobicContact CZ-CD2 3.87Å; F138-L157 HydrophobicContact CZ-CG 3.87Å; F138-L157 WeakPolarHBondContact CZ-O 3.49Å; A141-L157 HydrophobicContact CB-CD2 4.47Å; F145-L157 HydrophobicContact CB-CD1 4.5Å; F145-L157 HydrophobicContact CB-CD2 4.32Å; F145-L157 HydrophobicContact CD1-CB 4.21Å; F145-L157 HydrophobicContact CD1-CD1 4.48Å; F145-L157 HydrophobicContact CD2-CD1 4.01Å; F145-L157 HydrophobicContact CE2-CD1 4.36Å; F145-L157 HydrophobicContact CG-CB 4.5Å; F145-L157 HydrophobicContact CG-CD1 4.08Å; E155-L157 PolarHBondContact O-N 3.08Å; L157-Y160 HydrophobicContact CD2-CD1 4.38Å; L157-Y177 HydrophobicContact CD1-CD1 3.92Å; L157-Y177 HydrophobicContact CD1-CG 4.35Å; L157-Y177 HydrophobicContact CD2-CD1 4.12Å; L157-L178 WeakPolarHBondContact CD1-O 3.04Å
158V90Very high85.6Confident0 Ų044.5 Ų44.50%025%0.245CC..EExtended strand (participates in β ladder)trans-90.9-56.6177.5-178.60000109.6L178 I180 L241 L245 S277 L279 K280 L283V158-L178 WeakPolarHBondContact CA-O 3.42Å; V158-L178 VanDerWaalsContact CB-O 3.26Å; V158-L178 WeakPolarHBondContact CB-O 3.24Å; V158-L178 PolarHBondContact N-O 2.71Å; V158-I180 HydrophobicContact CG2-CG1 4.22Å; V158-L241 HydrophobicContact CG1-CD1 4.02Å; V158-L241 HydrophobicContact CG1-CD2 4.1Å; V158-L241 HydrophobicContact CG1-CG 4.43Å; V158-L245 HydrophobicContact CB-CD1 4.4Å; V158-L245 HydrophobicContact CG2-CD1 4.19Å; V158-L245 HydrophobicContact CG2-CD2 3.94Å; V158-S277 PolarHBondContact O-OG 3.22Å; V158-L279 HydrophobicContact CB-CD2 4.27Å; V158-L279 HydrophobicContact CB-CG 4.42Å; V158-L279 HydrophobicContact CG1-CG 4.33Å; V158-L279 HydrophobicContact CG2-CD2 3.59Å; V158-L279 HydrophobicContact CG2-CG 3.96Å; V158-K280 HydrophobicContact CG1-CB 4.1Å; V158-L283 HydrophobicContact CG1-CD1 3.58Å; V158-L283 HydrophobicContact CG2-CD1 4.24Å
159N92.2Very high85.2Confident9 Ų951.8 Ų51.85%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-156.8167.1175.2-158.312.8000111.9Y161 L178 L241 K280N159-Y161 HydrophobicContact CB-CE2 4Å; N159-Y161 PolarHBondContact ND2-OH 3.12Å; N159-L178 PolarHBondContact N-O 2.73Å; N159-L178 VanDerWaalsContact N-O 3.16Å; N159-L178 PolarHBondContact O-N 3.27Å; N159-L241 HydrophobicContact CB-CD2 3.83Å; N159-K280 HydrophobicContact CB-CD 3.95Å; N159-K280 WeakPolarHBondContact ND2-CD 3.36Å
160Y91.1Very high84.9Confident44 Ų4455.9 Ų55.917%0.17330%0.3CS..EExtended strand (participates in β ladder)trans-135144.1174.169.3-78.8000112.1F138 A141 L157 W175 L176F138-Y160 HydrophobicContact CD2-CD1 4.11Å; F138-Y160 AromaticContact CD2-CE1 3.87Å; F138-Y160 HydrophobicContact CD2-CE1 3.87Å; F138-Y160 HydrophobicContact CE2-CD1 4.07Å; F138-Y160 HydrophobicContact CE2-CE1 4.31Å; A141-Y160 HydrophobicContact CB-CD1 3.76Å; A141-Y160 HydrophobicContact CB-CE1 3.44Å; A141-Y160 VanDerWaalsContact CB-CE1 3.44Å; A141-Y160 HydrophobicContact CB-CE2 4.29Å; A141-Y160 HydrophobicContact CB-CG 4.33Å; L157-Y160 HydrophobicContact CD2-CD1 4.38Å; Y160-W175 AromaticContact CD2-CE3 3.63Å; Y160-W175 HydrophobicContact CD2-CE3 3.63Å; Y160-W175 AromaticContact CD2-CZ3 3.77Å; Y160-W175 HydrophobicContact CD2-CZ3 3.77Å; Y160-W175 HydrophobicContact CE2-CE3 4.06Å; Y160-W175 HydrophobicContact CE2-CH2 4.44Å; Y160-W175 AromaticContact CE2-CZ3 3.78Å; Y160-W175 HydrophobicContact CE2-CZ3 3.78Å; Y160-L176 CarbonylContact C-O 3.57Å; Y160-L176 WeakPolarHBondContact CA-O 3.16Å
161Y90.3Very high85.1Confident24 Ų2456 Ų569%0.09429%0.29CS..EExtended strand (participates in β ladder)trans-132.4143.6-174.4-62.2-86.2000109.8N159 W175 L176 L178 E237 T238 L241N159-Y161 HydrophobicContact CB-CE2 4Å; N159-Y161 PolarHBondContact ND2-OH 3.12Å; Y161-W175 WeakPolarHBondContact O-CA 3.34Å; Y161-L176 PolarHBondContact N-O 3.1Å; Y161-L176 PolarHBondContact O-N 2.79Å; Y161-L178 HydrophobicContact CD2-CD1 4.41Å; Y161-L178 HydrophobicContact CE2-CD1 4.07Å; Y161-E237 PolarHBondContact OH-OE1 3.42Å; Y161-T238 HydrophobicContact CD1-CG2 4.49Å; Y161-T238 WeakPolarHBondContact CD1-OG1 3.31Å; Y161-T238 HydrophobicContact CD2-CG2 3.69Å; Y161-T238 VanDerWaalsContact CE1-OG1 3.22Å; Y161-T238 WeakPolarHBondContact CE1-OG1 3.45Å; Y161-T238 HydrophobicContact CE2-CG2 3.97Å; Y161-T238 HydrophobicContact CG-CG2 3.97Å; Y161-L241 HydrophobicContact CE2-CD2 4.15Å
162S88Confident85.3Confident33 Ų3357.2 Ų57.223%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-85.2137.8168.2-170.40000109.8G174S162-G174 WeakPolarHBondContact CA-O 3.46Å; S162-G174 PolarHBondContact OG-O 3.18Å; S162-G174 VanDerWaalsContact OG-O 3.12Å
163C90.9Very high85.7Confident2 Ų261.6 Ų61.61%0.01431%0.31CS..EExtended strand (participates in β ladder)trans-160.6176.7179.270.10000110.8G174 S230 F232C163-G174 PolarHBondContact N-O 2.94Å; C163-G174 PolarHBondContact O-N 2.81Å; C163-S230 WeakPolarHBondContact CA-O 3.41Å; C163-S230 WeakPolarHBondContact CB-O 3.35Å; C163-F232 HydrophobicContact CB-CD1 3.61Å; C163-F232 HydrophobicContact CB-CD2 4.46Å; C163-F232 HydrophobicContact CB-CE1 3.38Å; C163-F232 HydrophobicContact CB-CE2 4.28Å; C163-F232 HydrophobicContact CB-CG 4.16Å; C163-F232 HydrophobicContact CB-CZ 3.76Å
164S89.9Confident86.4Confident15 Ų1556.9 Ų56.911%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-109.6124.4169.7-690000110.8R172 F229 S230S164-R172 CarbonylContact C-O 3.56Å; S164-R172 WeakPolarHBondContact CA-O 3.47Å; S164-F229 CarbonylContact O-C 3.57Å; S164-F229 WeakPolarHBondContact O-CA 3.38Å; S164-S230 PolarHBondContact N-O 2.68Å; S164-S230 PolarHBondContact O-N 3.46Å
165Y90.6Very high86.9Confident24 Ų2457.2 Ų57.29%0.09428%0.284CS..EExtended strand (participates in β ladder)trans-93.5133.3172.1171.6-123.3000110.5K167 R172 F185 L196 H227 V228 F229Y165-K167 HydrophobicContact CE1-CB 4.24Å; Y165-R172 PolarHBondContact N-O 2.93Å; Y165-R172 PolarHBondContact O-N 3.18Å; Y165-F185 VanDerWaalsContact CB-CE1 3.44Å; Y165-F185 AromaticContact CD1-CD1 3.98Å; Y165-F185 HydrophobicContact CD1-CD1 3.98Å; Y165-F185 HydrophobicContact CD1-CE1 4.03Å; Y165-F185 HydrophobicContact CG-CD1 4.06Å; Y165-F185 HydrophobicContact CG-CE1 4.12Å; Y165-L196 HydrophobicContact CE2-CD2 4.23Å; Y165-H227 HydrophobicContact CE2-CB 3.84Å; Y165-H227 AromaticContact CE2-ND1 3.84Å; Y165-H227 AromaticContact CZ-ND1 3.76Å; Y165-H227 PolarHBondContact OH-ND1 3.32Å; Y165-V228 WeakPolarHBondContact CD2-O 3.35Å; Y165-F229 AromaticContact CD2-CD1 3.86Å; Y165-F229 HydrophobicContact CD2-CD1 3.86Å; Y165-F229 AromaticContact CD2-CE1 3.5Å; Y165-F229 HydrophobicContact CD2-CE1 3.5Å; Y165-F229 AromaticContact CD2-CZ 3.95Å; Y165-F229 HydrophobicContact CD2-CZ 3.95Å; Y165-F229 HydrophobicContact CE2-CE1 4.34Å; Y165-F229 HydrophobicContact CE2-CZ 4.38Å; Y165-F229 HydrophobicContact CG-CD1 4.29Å; Y165-F229 AromaticContact CG-CE1 3.95Å; Y165-F229 HydrophobicContact CG-CE1 3.95Å
166W86.6Confident87.4Confident62 Ų6257.3 Ų57.324%0.23528%0.284CS..EExtended strand (participates in β ladder)trans-94.2111.5-179.5-66.679.2000111.1P171 L214 V228 S230W166-P171 HydrophobicContact CD2-CB 4.07Å; W166-P171 HydrophobicContact CE3-CB 4.17Å; W166-P171 HydrophobicContact CH2-CB 3.97Å; W166-P171 HydrophobicContact CH2-CG 3.9Å; W166-P171 HydrophobicContact CZ2-CB 3.84Å; W166-P171 HydrophobicContact CZ2-CG 4.24Å; W166-P171 HydrophobicContact CZ3-CB 4.13Å; W166-P171 HydrophobicContact CZ3-CG 4.05Å; W166-L214 HydrophobicContact CD2-CD1 4.5Å; W166-L214 HydrophobicContact CH2-CD1 4.37Å; W166-L214 HydrophobicContact CH2-CD2 4.04Å; W166-L214 HydrophobicContact CZ2-CD1 3.76Å; W166-L214 HydrophobicContact CZ2-CD2 3.55Å; W166-L214 HydrophobicContact CZ2-CG 4.31Å; W166-V228 HydrophobicContact CB-CB 4.38Å; W166-V228 PolarHBondContact N-O 2.95Å; W166-S230 PolarHBondContact NE1-OG 3.19Å
167K81.6Confident87.8Confident136 Ų13651.7 Ų51.759%0.59126%0.26SS*.EExtended strand (participates in β ladder)trans-102.290.8168.1-169.2167.3-176.3171.90108.4Y165 V170Y165-K167 HydrophobicContact CE1-CB 4.24Å; K167-V170 PolarHBondContact N-O 2.84Å; K167-V170 VanDerWaalsContact N-O 3.15Å
168G78.4Confident88Confident65 Ų6551.3 Ų51.367%0.6726%0.258SS*.THydrogen-bonded Turntrans66-141.4-165.200000110.9V170G168-V170 PolarHBondContact O-N 3.31Å
169K77.4Confident88.1Confident203 Ų20351.3 Ų51.388%0.88326%0.258SS*.THydrogen-bonded Turntrans-764.9-179.1-62.2-174.5-180-179.90114.8
170V80.1Confident87.8Confident90 Ų9051.5 Ų51.555%0.54526%0.259SS..EExtended strand (participates in β ladder)trans-109.4113.9-176.9-176.80000110.4K167 G168K167-V170 PolarHBondContact N-O 2.84Å; K167-V170 VanDerWaalsContact N-O 3.15Å; G168-V170 PolarHBondContact O-N 3.31Å
171P85Confident87.6Confident58 Ų5849.6 Ų49.638%0.37725%0.251SS..EExtended strand (participates in β ladder)trans-73.7136.3170.430.3-31.3000110.1W166W166-P171 HydrophobicContact CD2-CB 4.07Å; W166-P171 HydrophobicContact CE3-CB 4.17Å; W166-P171 HydrophobicContact CH2-CB 3.97Å; W166-P171 HydrophobicContact CH2-CG 3.9Å; W166-P171 HydrophobicContact CZ2-CB 3.84Å; W166-P171 HydrophobicContact CZ2-CG 4.24Å; W166-P171 HydrophobicContact CZ3-CB 4.13Å; W166-P171 HydrophobicContact CZ3-CG 4.05Å
172R86.2Confident87.7Confident47 Ų4748.9 Ų48.918%0.17725%0.249CC..EExtended strand (participates in β ladder)trans-116.1111.8173-64.7-171.8179.6-146.912.6108.5S164 Y165 F185 K192 E193S164-R172 CarbonylContact C-O 3.56Å; S164-R172 WeakPolarHBondContact CA-O 3.47Å; Y165-R172 PolarHBondContact N-O 2.93Å; Y165-R172 PolarHBondContact O-N 3.18Å; R172-F185 WeakPolarHBondContact O-CZ 3.39Å; R172-K192 PolarHBondContact NH1-O 3.21Å; R172-E193 VanDerWaalsContact NH1-C 3.3Å; R172-E193 PolarHBondContact NH1-O 3.19Å
173Q87.1Confident88Confident134 Ų13447.8 Ų47.863%0.62624%0.24SC*.EExtended strand (participates in β ladder)trans-74.7133.1178.8-173.2178-0.200110.3S187Q173-S187 WeakPolarHBondContact O-CB 3.32Å; Q173-S187 PolarHBondContact O-OG 3.04Å
174G88.8Confident88.2Confident7 Ų747.7 Ų47.77%0.07224%0.24CC..EExtended strand (participates in β ladder)trans-170.6-147.6-176.900000113.4S162 C163 Y186S162-G174 WeakPolarHBondContact CA-O 3.46Å; S162-G174 PolarHBondContact OG-O 3.18Å; S162-G174 VanDerWaalsContact OG-O 3.12Å; C163-G174 PolarHBondContact N-O 2.94Å; C163-G174 PolarHBondContact O-N 2.81Å; G174-Y186 WeakPolarHBondContact CA-O 3.42Å
175W91.4Very high88.4Confident108 Ų10847 Ų4741%0.40924%0.235SC..EExtended strand (participates in β ladder)trans-129.5125.7-174.6-64.294.8000110.9Y160 Y161 Y177 F185 Y186Y160-W175 AromaticContact CD2-CE3 3.63Å; Y160-W175 HydrophobicContact CD2-CE3 3.63Å; Y160-W175 AromaticContact CD2-CZ3 3.77Å; Y160-W175 HydrophobicContact CD2-CZ3 3.77Å; Y160-W175 HydrophobicContact CE2-CE3 4.06Å; Y160-W175 HydrophobicContact CE2-CH2 4.44Å; Y160-W175 AromaticContact CE2-CZ3 3.78Å; Y160-W175 HydrophobicContact CE2-CZ3 3.78Å; Y161-W175 WeakPolarHBondContact O-CA 3.34Å; W175-Y177 HydrophobicContact CB-CD2 4.31Å; W175-Y177 HydrophobicContact CB-CE2 3.57Å; W175-Y177 WeakPolarHBondContact O-CD2 3.47Å; W175-F185 WeakPolarHBondContact O-CA 3.21Å; W175-F185 WeakPolarHBondContact O-CD2 3.29Å; W175-Y186 PolarHBondContact N-O 3.38Å; W175-Y186 PolarHBondContact O-N 3.14Å
176L93.6Very high88.4Confident4 Ų448.1 Ų48.12%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-93.2125.7169.7-170.371.5000108.8Y160 Y161 L178 I183 C184 F185 F229 F232 T238Y160-L176 CarbonylContact C-O 3.57Å; Y160-L176 WeakPolarHBondContact CA-O 3.16Å; Y161-L176 PolarHBondContact N-O 3.1Å; Y161-L176 PolarHBondContact O-N 2.79Å; L176-L178 HydrophobicContact CD2-CD2 3.99Å; L176-L178 HydrophobicContact CG-CD2 3.95Å; L176-I183 HydrophobicContact CD1-CD1 4.02Å; L176-I183 HydrophobicContact CD1-CG1 3.75Å; L176-I183 HydrophobicContact CD2-CD1 4.34Å; L176-I183 HydrophobicContact CG-CG1 4.38Å; L176-C184 CarbonylContact C-O 3.5Å; L176-C184 WeakPolarHBondContact CA-O 3.43Å; L176-F185 HydrophobicContact CB-CD2 4.44Å; L176-F185 HydrophobicContact CD1-CB 4.06Å; L176-F185 HydrophobicContact CD1-CD2 4.45Å; L176-F229 HydrophobicContact CD1-CD1 4.16Å; L176-F229 HydrophobicContact CD1-CE1 3.75Å; L176-F229 HydrophobicContact CD1-CZ 3.99Å; L176-F232 HydrophobicContact CD2-CE1 3.82Å; L176-F232 HydrophobicContact CD2-CZ 4.02Å; L176-T238 HydrophobicContact CD2-CG2 4.2Å
177Y94.1Very high88.5Confident12 Ų1245.2 Ų45.25%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-111.5126.1177.7-61.9-97000108F145 F149 L157 W175 C184F145-Y177 HydrophobicContact CB-CD1 3.97Å; F145-Y177 HydrophobicContact CB-CE1 4.25Å; F145-Y177 HydrophobicContact CD2-CD1 4.04Å; F145-Y177 AromaticContact CD2-CG 3.93Å; F145-Y177 HydrophobicContact CD2-CG 3.93Å; F145-Y177 HydrophobicContact CG-CD1 4.42Å; F149-Y177 AromaticContact CE2-CD2 3.64Å; F149-Y177 HydrophobicContact CE2-CD2 3.64Å; F149-Y177 HydrophobicContact CE2-CE2 4.04Å; F149-Y177 HydrophobicContact CE2-CG 4.13Å; F149-Y177 HydrophobicContact CZ-CD2 4.03Å; F149-Y177 HydrophobicContact CZ-CE2 4.4Å; L157-Y177 HydrophobicContact CD1-CD1 3.92Å; L157-Y177 HydrophobicContact CD1-CG 4.35Å; L157-Y177 HydrophobicContact CD2-CD1 4.12Å; W175-Y177 HydrophobicContact CB-CD2 4.31Å; W175-Y177 HydrophobicContact CB-CE2 3.57Å; W175-Y177 WeakPolarHBondContact O-CD2 3.47Å; Y177-C184 PolarHBondContact N-O 3.16Å; Y177-C184 PolarHBondContact O-N 2.65Å
178L94.6Very high88.5Confident0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-108.7118.1174.8-51.8-169.4000107.8L157 V158 N159 Y161 L176 I183 W200 L241 A242 L245L157-L178 WeakPolarHBondContact CD1-O 3.04Å; V158-L178 WeakPolarHBondContact CA-O 3.42Å; V158-L178 VanDerWaalsContact CB-O 3.26Å; V158-L178 WeakPolarHBondContact CB-O 3.24Å; V158-L178 PolarHBondContact N-O 2.71Å; N159-L178 PolarHBondContact N-O 2.73Å; N159-L178 VanDerWaalsContact N-O 3.16Å; N159-L178 PolarHBondContact O-N 3.27Å; Y161-L178 HydrophobicContact CD2-CD1 4.41Å; Y161-L178 HydrophobicContact CE2-CD1 4.07Å; L176-L178 HydrophobicContact CD2-CD2 3.99Å; L176-L178 HydrophobicContact CG-CD2 3.95Å; L178-I183 HydrophobicContact CD2-CB 4.29Å; L178-I183 HydrophobicContact CD2-CD1 3.87Å; L178-I183 HydrophobicContact CD2-CG1 3.68Å; L178-W200 HydrophobicContact CB-CZ2 4.21Å; L178-W200 HydrophobicContact CD2-CH2 3.91Å; L178-W200 HydrophobicContact CD2-CZ2 3.96Å; L178-W200 HydrophobicContact CG-CZ2 4.47Å; L178-L241 HydrophobicContact CD1-CB 4.31Å; L178-L241 HydrophobicContact CD1-CD2 4.14Å; L178-L241 HydrophobicContact CD1-CG 4.12Å; L178-A242 HydrophobicContact CD1-CB 4.43Å; L178-L245 HydrophobicContact CB-CD1 3.86Å; L178-L245 HydrophobicContact CD1-CD1 4.42Å
179S92.2Very high88.3Confident0 Ų045.7 Ų45.70%021%0.213CC..EExtended strand (participates in β ladder)trans-111.7178.6173.464.80000110.6E155 K156 N181 H182 W200E155-S179 VanDerWaalsContact OE1-CB 3.24Å; E155-S179 WeakPolarHBondContact OE1-CB 3.35Å; E155-S179 PolarHBondContact OE1-OG 2.82Å; K156-S179 WeakPolarHBondContact O-CA 3.31Å; K156-S179 WeakPolarHBondContact O-CB 3.32Å; S179-N181 VanDerWaalsContact C-N 3.27Å; S179-N181 PolarHBondContact O-N 3.4Å; S179-H182 PolarHBondContact N-O 3.03Å; S179-H182 WeakPolarHBondContact OG-CB 3.38Å; S179-H182 PolarHBondContact OG-N 3.36Å; S179-H182 VanDerWaalsContact OG-N 3.17Å; S179-H182 PolarHBondContact OG-O 2.98Å; S179-W200 PolarHBondContact O-NE1 3.45Å
180I86.9Confident88Confident13 Ų1343.6 Ų43.67%0.06721%0.211CC..SBendtrans-57.8-39.1-178.7-62.8179.4000111.9K156 V158 F259 L279K156-I180 HydrophobicContact CB-CD1 3.9Å; K156-I180 HydrophobicContact CB-CG1 4.36Å; K156-I180 HydrophobicContact CD-CD1 4.44Å; K156-I180 PolarHBondContact O-N 3.21Å; V158-I180 HydrophobicContact CG2-CG1 4.22Å; I180-F259 HydrophobicContact CD1-CB 4.43Å; I180-F259 HydrophobicContact CD1-CD1 3.81Å; I180-F259 HydrophobicContact CD1-CE1 4.43Å; I180-F259 HydrophobicContact CD1-CG 4.19Å; I180-F259 HydrophobicContact CG2-CB 3.94Å; I180-F259 HydrophobicContact CG2-CG 4.23Å; I180-L279 HydrophobicContact CD1-CD1 4.41Å; I180-L279 HydrophobicContact CD1-CD2 3.88Å; I180-L279 HydrophobicContact CG1-CD2 3.74Å
181N86.1Confident87.5Confident4 Ų441.8 Ų41.82%0.02121%0.21CC..SBendtrans-115.3-13.7-172.7-54.2-55000113.6E155 S179 R199 W200 R252 Y838E155-N181 WeakPolarHBondContact OE1-CB 3.36Å; E155-N181 PolarHBondContact OE1-N 2.8Å; E155-N181 PolarHBondContact OE2-ND2 3.33Å; S179-N181 VanDerWaalsContact C-N 3.27Å; S179-N181 PolarHBondContact O-N 3.4Å; N181-R199 WeakPolarHBondContact O-CA 3.28Å; N181-W200 VanDerWaalsContact O-CD1 3.32Å; N181-W200 PolarHBondContact O-N 3Å; N181-R252 PolarHBondContact OD1-NH1 3.1Å; N181-Y838 HydrophobicContact CB-CD1 4.2Å; N181-Y838 HydrophobicContact CB-CD2 4.01Å; N181-Y838 HydrophobicContact CB-CE1 4.41Å; N181-Y838 HydrophobicContact CB-CE2 4.22Å; N181-Y838 HydrophobicContact CB-CG 4.01Å; N181-Y838 VanDerWaalsContact OD1-CD1 3.3Å; N181-Y838 WeakPolarHBondContact OD1-CD1 3.36Å
182H91.4Very high86.9Confident10 Ų1045.9 Ų45.95%0.04622%0.222CC..EExtended strand (participates in β ladder)trans-131.5153.1-173.9-55.676.1000114.9M151 E155 S179 V198 R199 W200 W839M151-H182 HydrophobicContact CE-CB 4.15Å; E155-H182 IonicContact OE1-CE1 3.32Å; E155-H182 IonicContact OE1-CG 2.68Å; E155-H182 PolarHBondContact OE1-N 3.13Å; E155-H182 IonicContact OE1-ND1 3.7Å; E155-H182 PolarHBondContact OE1-ND1 3.36Å; E155-H182 IonicContact OE2-ND1 3.8Å; S179-H182 PolarHBondContact N-O 3.03Å; S179-H182 WeakPolarHBondContact OG-CB 3.38Å; S179-H182 PolarHBondContact OG-N 3.36Å; S179-H182 VanDerWaalsContact OG-N 3.17Å; S179-H182 PolarHBondContact OG-O 2.98Å; H182-V198 WeakPolarHBondContact CA-O 3.49Å; H182-R199 WeakPolarHBondContact NE2-CG 3.42Å; H182-W200 PolarHBondContact O-NE1 3.09Å; H182-W839 AromaticContact CE1-CH2 3.75Å; H182-W839 AromaticContact CE1-CZ2 3.46Å; H182-W839 VanDerWaalsContact CE1-CZ2 3.46Å; H182-W839 WeakPolarHBondContact CE1-CZ2 3.46Å
183I94.8Very high86.8Confident9 Ų948.6 Ų48.65%0.04624%0.237CC..EExtended strand (participates in β ladder)trans-109.2123.7158-177.4166.9000108.2L176 L178 V198 W200 I203 V220L176-I183 HydrophobicContact CD1-CD1 4.02Å; L176-I183 HydrophobicContact CD1-CG1 3.75Å; L176-I183 HydrophobicContact CD2-CD1 4.34Å; L176-I183 HydrophobicContact CG-CG1 4.38Å; L178-I183 HydrophobicContact CD2-CB 4.29Å; L178-I183 HydrophobicContact CD2-CD1 3.87Å; L178-I183 HydrophobicContact CD2-CG1 3.68Å; I183-V198 HydrophobicContact CG2-CB 3.84Å; I183-V198 HydrophobicContact CG2-CG1 4.29Å; I183-V198 PolarHBondContact N-O 3.32Å; I183-V198 PolarHBondContact O-N 2.73Å; I183-W200 HydrophobicContact CB-CH2 3.79Å; I183-W200 HydrophobicContact CB-CZ2 3.87Å; I183-W200 HydrophobicContact CB-CZ3 4.19Å; I183-W200 HydrophobicContact CD1-CH2 3.95Å; I183-W200 HydrophobicContact CD1-CZ3 4.29Å; I183-W200 HydrophobicContact CG1-CH2 4.25Å; I183-W200 HydrophobicContact CG2-CZ3 4.45Å; I183-I203 HydrophobicContact CG2-CD1 4.16Å; I183-V220 HydrophobicContact CD1-CG2 4.26Å
184C94.4Very high86.6Confident0 Ų042.8 Ų42.80%021%0.212CC..EExtended strand (participates in β ladder)trans-129.9142.1-175.4-52.70000110.9F145 F149 L176 Y177 L196 V197F145-C184 HydrophobicContact CE2-CB 4.2Å; F149-C184 HydrophobicContact CD1-CB 3.95Å; F149-C184 HydrophobicContact CD2-CB 3.93Å; F149-C184 HydrophobicContact CE1-CB 3.68Å; F149-C184 HydrophobicContact CE2-CB 3.67Å; F149-C184 HydrophobicContact CG-CB 4.08Å; F149-C184 HydrophobicContact CZ-CB 3.53Å; L176-C184 CarbonylContact C-O 3.5Å; L176-C184 WeakPolarHBondContact CA-O 3.43Å; Y177-C184 PolarHBondContact N-O 3.16Å; Y177-C184 PolarHBondContact O-N 2.65Å; C184-L196 CarbonylContact C-O 3.56Å; C184-L196 WeakPolarHBondContact CA-O 3.43Å; C184-V197 HydrophobicContact CB-CG2 4.49Å
185F94.4Very high86.7Confident0 Ų046.3 Ų46.30%023%0.225CC..EExtended strand (participates in β ladder)trans-129.5139.3176.9174.5-88.8000111.4Y165 R172 W175 L176 K195 L196 F229Y165-F185 VanDerWaalsContact CB-CE1 3.44Å; Y165-F185 AromaticContact CD1-CD1 3.98Å; Y165-F185 HydrophobicContact CD1-CD1 3.98Å; Y165-F185 HydrophobicContact CD1-CE1 4.03Å; Y165-F185 HydrophobicContact CG-CD1 4.06Å; Y165-F185 HydrophobicContact CG-CE1 4.12Å; R172-F185 WeakPolarHBondContact O-CZ 3.39Å; W175-F185 WeakPolarHBondContact O-CA 3.21Å; W175-F185 WeakPolarHBondContact O-CD2 3.29Å; L176-F185 HydrophobicContact CB-CD2 4.44Å; L176-F185 HydrophobicContact CD1-CB 4.06Å; L176-F185 HydrophobicContact CD1-CD2 4.45Å; F185-K195 CarbonylContact O-C 3.54Å; F185-L196 HydrophobicContact CB-CB 4.19Å; F185-L196 HydrophobicContact CB-CD2 4.48Å; F185-L196 PolarHBondContact N-O 3.31Å; F185-L196 PolarHBondContact O-N 2.81Å; F185-F229 HydrophobicContact CB-CE1 3.94Å; F185-F229 HydrophobicContact CD2-CD1 4.35Å; F185-F229 HydrophobicContact CD2-CE1 4.09Å; F185-F229 HydrophobicContact CG-CE1 4.05Å
186Y91.9Very high86.6Confident48 Ų4842.5 Ų42.519%0.18821%0.212CC..EExtended strand (participates in β ladder)trans-131.8131.9175.9-177.2-95.1000112L148 G174 W175 E193 A194L148-Y186 HydrophobicContact CD1-CD1 3.98Å; L148-Y186 HydrophobicContact CD1-CD2 4.18Å; L148-Y186 HydrophobicContact CD1-CE1 4.38Å; L148-Y186 HydrophobicContact CD1-CG 3.87Å; L148-Y186 HydrophobicContact CD2-CD2 3.98Å; L148-Y186 HydrophobicContact CD2-CE1 4.25Å; L148-Y186 HydrophobicContact CD2-CE2 3.64Å; L148-Y186 HydrophobicContact CD2-CG 4.41Å; L148-Y186 HydrophobicContact CG-CD2 4.47Å; G174-Y186 WeakPolarHBondContact CA-O 3.42Å; W175-Y186 PolarHBondContact N-O 3.38Å; W175-Y186 PolarHBondContact O-N 3.14Å; Y186-E193 HydrophobicContact CE2-CG 4.03Å; Y186-E193 WeakPolarHBondContact CE2-OE1 3.22Å; Y186-A194 WeakPolarHBondContact CA-O 3.49Å
187S88.9Confident86.5Confident2 Ų244.8 Ų44.81%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-141137.2170.4157.60000109.7Q173 E193 A194Q173-S187 WeakPolarHBondContact O-CB 3.32Å; Q173-S187 PolarHBondContact O-OG 3.04Å; S187-E193 CarbonylContact O-C 3.53Å; S187-E193 WeakPolarHBondContact O-CA 3.47Å; S187-A194 PolarHBondContact N-O 2.59Å; S187-A194 PolarHBondContact O-N 3.47Å
188Y81.6Confident86.3Confident131 Ų13144.8 Ų44.851%0.51423%0.228SC..EExtended strand (participates in β ladder)trans-129.3111.9165.6-174.3-90000108.8E193Y188-E193 HydrophobicContact CD2-CB 4.08Å
189L74.3Confident86Confident79 Ų7947 Ų4741%0.41424%0.236SC..EExtended strand (participates in β ladder)trans-145.2130.6-173.3-17365.1000110.1G191 K192L189-G191 VanDerWaalsContact C-N 3.27Å; L189-G191 PolarHBondContact O-N 3.1Å; L189-K192 PolarHBondContact N-O 3.47Å; L189-K192 PolarHBondContact O-N 3.36Å
190L69.8Low85.9Confident160 Ų16047 Ų4784%0.83824%0.236SC*.THydrogen-bonded Turntrans49.844.4-178.6-60.3172.6000113.2K192L190-K192 PolarHBondContact O-N 3.33Å
191G70Confident85.7Confident52 Ų5246.7 Ų46.754%0.53624%0.236SC..THydrogen-bonded Turntrans72.6-1.9-177.900000115.3L189L189-G191 VanDerWaalsContact C-N 3.27Å; L189-G191 PolarHBondContact O-N 3.1Å
192K72.5Confident85.6Confident143 Ų14349.1 Ų49.162%0.62225%0.248SC*.EExtended strand (participates in β ladder)trans-105.4109.9-176.9-66.1-176.2179.9-178.70111.2R172 L189 L190R172-K192 PolarHBondContact NH1-O 3.21Å; L189-K192 PolarHBondContact N-O 3.47Å; L189-K192 PolarHBondContact O-N 3.36Å; L190-K192 PolarHBondContact O-N 3.33Å
193E83.6Confident85.6Confident105 Ų10548.6 Ų48.649%0.49125%0.246SC..EExtended strand (participates in β ladder)trans-72.5147.7171.4-168171.5170.400112R172 Y186 S187 Y188R172-E193 VanDerWaalsContact NH1-C 3.3Å; R172-E193 PolarHBondContact NH1-O 3.19Å; Y186-E193 HydrophobicContact CE2-CG 4.03Å; Y186-E193 WeakPolarHBondContact CE2-OE1 3.22Å; S187-E193 CarbonylContact O-C 3.53Å; S187-E193 WeakPolarHBondContact O-CA 3.47Å; Y188-E193 HydrophobicContact CD2-CB 4.08Å
194A84.2Confident85.2Confident12 Ų1250 Ų5010%0.09926%0.255CS..EExtended strand (participates in β ladder)trans-136.4108.516000000109.1Y186 S187Y186-A194 WeakPolarHBondContact CA-O 3.49Å; S187-A194 PolarHBondContact N-O 2.59Å; S187-A194 PolarHBondContact O-N 3.47Å
195K89.4Confident84.9Confident80 Ų8052.2 Ų52.235%0.34827%0.265SS..EExtended strand (participates in β ladder)trans-99.6139.6167.4-173.9-176.6179.9-178.30108.3L148 F149 F185 V1260L148-K195 WeakPolarHBondContact O-CE 3.32Å; L148-K195 PolarHBondContact O-NZ 3.09Å; F149-K195 HydrophobicContact CD1-CD 4.48Å; F149-K195 HydrophobicContact CD1-CG 3.96Å; F149-K195 HydrophobicContact CE1-CG 3.91Å; F149-K195 PolarHBondContact O-NZ 2.68Å; F185-K195 CarbonylContact O-C 3.54Å; K195-V1260 PolarHBondContact NZ-O 2.91Å
196L90.3Very high84.8Confident28 Ų2852.4 Ų52.415%0.14727%0.266CS..EExtended strand (participates in β ladder)trans-142.1136.8171.9175.665.7000108.7Y165 C184 F185 V198 H227 F229Y165-L196 HydrophobicContact CE2-CD2 4.23Å; C184-L196 CarbonylContact C-O 3.56Å; C184-L196 WeakPolarHBondContact CA-O 3.43Å; F185-L196 HydrophobicContact CB-CB 4.19Å; F185-L196 HydrophobicContact CB-CD2 4.48Å; F185-L196 PolarHBondContact N-O 3.31Å; F185-L196 PolarHBondContact O-N 2.81Å; L196-V198 HydrophobicContact CD1-CG2 3.9Å; L196-V198 HydrophobicContact CG-CG2 4.28Å; L196-H227 HydrophobicContact CD2-CB 4.31Å; L196-F229 HydrophobicContact CD2-CE1 4.41Å; L196-F229 HydrophobicContact CD2-CZ 3.84Å
197V90.6Very high84.6Confident52 Ų5252.2 Ų52.232%0.31527%0.267SS..EExtended strand (participates in β ladder)trans-137.1127.9172.7178.40000107.2F149 M151 C184F149-V197 HydrophobicContact CB-CG2 4.37Å; F149-V197 HydrophobicContact CD1-CG2 3.5Å; F149-V197 VanDerWaalsContact CD1-CG2 3.5Å; F149-V197 HydrophobicContact CE1-CG2 4.19Å; F149-V197 HydrophobicContact CG-CG2 4.24Å; M151-V197 HydrophobicContact CE-CG1 3.62Å; M151-V197 HydrophobicContact CE-CG2 4.37Å; C184-V197 HydrophobicContact CB-CG2 4.49Å
198V90.1Very high84.6Confident13 Ų1355.4 Ų55.48%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-138136175175.80000107.7H182 I183 L196 D202 I203 T222H182-V198 WeakPolarHBondContact CA-O 3.49Å; I183-V198 HydrophobicContact CG2-CB 3.84Å; I183-V198 HydrophobicContact CG2-CG1 4.29Å; I183-V198 PolarHBondContact N-O 3.32Å; I183-V198 PolarHBondContact O-N 2.73Å; L196-V198 HydrophobicContact CD1-CG2 3.9Å; L196-V198 HydrophobicContact CG-CG2 4.28Å; V198-D202 HydrophobicContact CG1-CB 4.37Å; V198-I203 HydrophobicContact CG1-CG1 3.97Å; V198-T222 HydrophobicContact CG1-CG2 3.62Å; V198-T222 HydrophobicContact CG2-CG2 4.39Å
199R88.1Confident84.6Confident46 Ų4651 Ų5117%0.17427%0.269CS..EExtended strand (participates in β ladder)trans-78.9145.3173.9-57.5177.2-65.5-177.67.2109.5N181 H182 A201 D202 A831N181-R199 WeakPolarHBondContact O-CA 3.28Å; H182-R199 WeakPolarHBondContact NE2-CG 3.42Å; R199-A201 HydrophobicContact CB-CB 4.48Å; R199-A201 PolarHBondContact O-N 3.22Å; R199-A201 VanDerWaalsContact O-N 3.11Å; R199-D202 VanDerWaalsContact CB-OD2 3.29Å; R199-D202 WeakPolarHBondContact CB-OD2 3.41Å; R199-D202 WeakPolarHBondContact CG-OD2 3.45Å; R199-D202 IonicContact CZ-OD1 3.04Å; R199-D202 IonicContact CZ-OD2 3.09Å; R199-D202 IonicContact NE-OD1 3.79Å; R199-D202 PolarHBondContact NE-OD1 2.85Å; R199-D202 IonicContact NE-OD2 3.02Å; R199-D202 PolarHBondContact NE-OD2 3.46Å; R199-D202 IonicContact NH2-OD1 2.92Å; R199-D202 PolarHBondContact NH2-OD1 3.25Å; R199-D202 IonicContact NH2-OD2 2.73Å; R199-D202 PolarHBondContact NH2-OD2 2.93Å; R199-D202 PolarHBondContact O-N 3.06Å; R199-A831 VanDerWaalsContact NH1-CB 3.3Å; R199-A831 PolarHBondContact NH1-O 3.47Å
200W89.6Confident84.5Confident0 Ų050.9 Ų50.90%028%0.279CS..G310 helixtrans-57.2-28.4173.3-65.5119.5000112.3L178 S179 N181 H182 I183 I203 A242 L245 A246 A249 M250L178-W200 HydrophobicContact CB-CZ2 4.21Å; L178-W200 HydrophobicContact CD2-CH2 3.91Å; L178-W200 HydrophobicContact CD2-CZ2 3.96Å; L178-W200 HydrophobicContact CG-CZ2 4.47Å; S179-W200 PolarHBondContact O-NE1 3.45Å; N181-W200 VanDerWaalsContact O-CD1 3.32Å; N181-W200 PolarHBondContact O-N 3Å; H182-W200 PolarHBondContact O-NE1 3.09Å; I183-W200 HydrophobicContact CB-CH2 3.79Å; I183-W200 HydrophobicContact CB-CZ2 3.87Å; I183-W200 HydrophobicContact CB-CZ3 4.19Å; I183-W200 HydrophobicContact CD1-CH2 3.95Å; I183-W200 HydrophobicContact CD1-CZ3 4.29Å; I183-W200 HydrophobicContact CG1-CH2 4.25Å; I183-W200 HydrophobicContact CG2-CZ3 4.45Å; W200-I203 HydrophobicContact CD2-CD1 4.46Å; W200-I203 HydrophobicContact CE3-CD1 3.54Å; W200-I203 HydrophobicContact CZ3-CD1 4Å; W200-A242 HydrophobicContact CH2-CB 3.64Å; W200-A242 HydrophobicContact CZ3-CB 3.83Å; W200-L245 HydrophobicContact CD2-CB 3.99Å; W200-L245 HydrophobicContact CG-CB 4.4Å; W200-L245 HydrophobicContact CH2-CB 4.38Å; W200-L245 HydrophobicContact CZ2-CB 3.79Å; W200-L245 HydrophobicContact CZ2-CD1 3.69Å; W200-L245 HydrophobicContact CZ2-CG 4.4Å; W200-A246 HydrophobicContact CE3-CB 3.99Å; W200-A249 HydrophobicContact CB-CB 3.38Å; W200-A249 HydrophobicContact CG-CB 4.36Å; W200-M250 VanDerWaalsContact O-CE 3.28Å; W200-M250 WeakPolarHBondContact O-CE 3.45Å
201A83.6Confident84.1Confident7 Ų746.7 Ų46.76%0.05826%0.261CS..G310 helixtrans-69.4-23.8174.800000115.2R199 I203 L253 Q797R199-A201 HydrophobicContact CB-CB 4.48Å; R199-A201 PolarHBondContact O-N 3.22Å; R199-A201 VanDerWaalsContact O-N 3.11Å; A201-I203 VanDerWaalsContact C-N 3.34Å; A201-L253 HydrophobicContact CB-CD1 4.02Å; A201-L253 HydrophobicContact CB-CD2 4.14Å; A201-L253 HydrophobicContact CB-CG 4.35Å; A201-Q797 PolarHBondContact O-NE2 3.06Å
202D85.1Confident83.5Confident54 Ų5453.1 Ų53.129%0.28928%0.282SS..G310 helixtrans-88.3-4.9-178.2-59.1-39.7000112.9V198 R199V198-D202 HydrophobicContact CG1-CB 4.37Å; R199-D202 VanDerWaalsContact CB-OD2 3.29Å; R199-D202 WeakPolarHBondContact CB-OD2 3.41Å; R199-D202 WeakPolarHBondContact CG-OD2 3.45Å; R199-D202 IonicContact CZ-OD1 3.04Å; R199-D202 IonicContact CZ-OD2 3.09Å; R199-D202 IonicContact NE-OD1 3.79Å; R199-D202 PolarHBondContact NE-OD1 2.85Å; R199-D202 IonicContact NE-OD2 3.02Å; R199-D202 PolarHBondContact NE-OD2 3.46Å; R199-D202 IonicContact NH2-OD1 2.92Å; R199-D202 PolarHBondContact NH2-OD1 3.25Å; R199-D202 IonicContact NH2-OD2 2.73Å; R199-D202 PolarHBondContact NH2-OD2 2.93Å; R199-D202 PolarHBondContact O-N 3.06Å
203I89.6Confident82.7Confident0 Ų054.1 Ų54.10%029%0.293CS..EExtended strand (participates in β ladder)trans-81.4126.9-177.4-62.7171.8000109.5I183 V198 W200 A201 Q205 L206 V220 S221 Q797I183-I203 HydrophobicContact CG2-CD1 4.16Å; V198-I203 HydrophobicContact CG1-CG1 3.97Å; W200-I203 HydrophobicContact CD2-CD1 4.46Å; W200-I203 HydrophobicContact CE3-CD1 3.54Å; W200-I203 HydrophobicContact CZ3-CD1 4Å; A201-I203 VanDerWaalsContact C-N 3.34Å; I203-Q205 WeakPolarHBondContact CG2-O 3.46Å; I203-L206 HydrophobicContact CG2-CB 4.33Å; I203-V220 HydrophobicContact CD1-CG1 3.69Å; I203-V220 HydrophobicContact CG1-CG1 3.78Å; I203-V220 HydrophobicContact CG2-CG1 4.17Å; I203-S221 WeakPolarHBondContact CA-O 3.47Å; I203-Q797 PolarHBondContact O-NE2 3.22Å
204T87.3Confident81.6Confident37 Ų3751.4 Ų51.423%0.22728%0.281CS..EExtended strand (participates in β ladder)trans-98.8-23.7177.654.60000112.3S221 R223 Q797T204-S221 PolarHBondContact N-O 3.32Å; T204-S221 PolarHBondContact OG1-O 3.48Å; T204-R223 HydrophobicContact CG2-CG 3.73Å; T204-Q797 HydrophobicContact CG2-CG 4.28Å
205Q88.5Confident80.5Confident47 Ų4756.2 Ų56.222%0.2231%0.312CS..EExtended strand (participates in β ladder)trans-154.4130.5-178.7-172.7-177.132.500109.7I203 E207 S221I203-Q205 WeakPolarHBondContact CG2-O 3.46Å; Q205-E207 HydrophobicContact CG-CG 3.89Å; Q205-E207 PolarHBondContact NE2-OE1 3.26Å; Q205-E207 PolarHBondContact NE2-OE2 2.94Å; Q205-E207 VanDerWaalsContact NE2-OE2 3.08Å; Q205-S221 PolarHBondContact N-O 2.93Å; Q205-S221 PolarHBondContact O-N 2.94Å; Q205-S221 PolarHBondContact OE1-OG 3.39Å
206L91.8Very high80Confident5 Ų555.2 Ų55.23%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-125.3112.3172.1175.965.4000107.6I203 I218 V220 F239 A242 E243 A246 F789 L793I203-L206 HydrophobicContact CG2-CB 4.33Å; L206-I218 HydrophobicContact CD1-CG2 3.87Å; L206-V220 HydrophobicContact CD1-CG2 3.84Å; L206-F239 HydrophobicContact CD1-CE2 4.06Å; L206-F239 HydrophobicContact CD2-CE2 4.44Å; L206-F239 HydrophobicContact CG-CE2 3.77Å; L206-F239 HydrophobicContact CG-CZ 4.31Å; L206-A242 HydrophobicContact CD2-CB 3.93Å; L206-E243 HydrophobicContact CD2-CG 4.15Å; L206-A246 HydrophobicContact CD2-CB 4.33Å; L206-F789 HydrophobicContact CB-CE1 4.24Å; L206-F789 HydrophobicContact CB-CZ 4.38Å; L206-F789 HydrophobicContact CD2-CE1 4.13Å; L206-F789 HydrophobicContact CD2-CZ 3.92Å; L206-F789 HydrophobicContact CG-CE1 4.48Å; L206-L793 HydrophobicContact CB-CD1 4.07Å
207E88.4Confident79.9Confident44 Ų4454.2 Ų54.221%0.20631%0.305CS..EExtended strand (participates in β ladder)trans-132.7141.2-174.3-78.6177.3178.900111.8Q205 K219 K790Q205-E207 HydrophobicContact CG-CG 3.89Å; Q205-E207 PolarHBondContact NE2-OE1 3.26Å; Q205-E207 PolarHBondContact NE2-OE2 2.94Å; Q205-E207 VanDerWaalsContact NE2-OE2 3.08Å; E207-K219 PolarHBondContact N-O 3.35Å; E207-K219 PolarHBondContact O-N 2.96Å; E207-K790 VanDerWaalsContact OE1-CE 3.29Å; E207-K790 WeakPolarHBondContact OE1-CE 3.35Å; E207-K790 IonicContact OE1-NZ 2.84Å
208K89.1Confident80.1Confident69 Ų6952 Ų5230%0.329%0.291SS..EExtended strand (participates in β ladder)trans-96.2125.8164.3-169.6-160.6173.3-166.60107.7D216 V217 I235 N236 F239K208-D216 WeakPolarHBondContact CE-OD1 3.3Å; K208-D216 WeakPolarHBondContact CE-OD2 3.44Å; K208-D216 IonicContact NZ-OD1 3.35Å; K208-D216 PolarHBondContact NZ-OD1 3.4Å; K208-D216 VanDerWaalsContact NZ-OD1 3.13Å; K208-D216 IonicContact NZ-OD2 3.98Å; K208-D216 PolarHBondContact NZ-OD2 3.27Å; K208-V217 WeakPolarHBondContact CA-O 3.22Å; K208-I235 HydrophobicContact CD-CD1 4.49Å; K208-I235 HydrophobicContact CG-CD1 4.1Å; K208-N236 PolarHBondContact NZ-OD1 3.26Å; K208-F239 HydrophobicContact CB-CD1 4.14Å; K208-F239 HydrophobicContact CB-CD2 3.95Å; K208-F239 HydrophobicContact CB-CE1 4.04Å; K208-F239 HydrophobicContact CB-CE2 3.87Å; K208-F239 HydrophobicContact CB-CG 4.09Å; K208-F239 HydrophobicContact CB-CZ 3.92Å; K208-F239 VanDerWaalsContact N-CE2 3.29Å
209S80.3Confident80.2Confident39 Ų3953.5 Ų53.527%0.27330%0.297SS..EExtended strand (participates in β ladder)trans-132153.2179.6-49.60000110.8V217S209-V217 PolarHBondContact N-O 2.68Å; S209-V217 WeakPolarHBondContact O-CG2 3.37Å; S209-V217 PolarHBondContact O-N 3.01Å
210A71.8Confident80.4Confident75 Ų7551.4 Ų51.462%0.6229%0.29SS*.EExtended strand (participates in β ladder)trans-112.7140.5162.300000108.1
211T63.3Low80.5Confident73 Ų7352 Ų5245%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-122.4157.7175.265.70000109.6L213 L214T211-L213 PolarHBondContact O-N 3.36Å; T211-L214 PolarHBondContact N-O 3.17Å; T211-L214 CarbonylContact O-C 3.52Å; T211-L214 PolarHBondContact O-N 3.46Å; T211-L214 VanDerWaalsContact O-O 3.1Å; T211-L214 WeakPolarHBondContact OG1-CB 3.26Å; T211-L214 PolarHBondContact OG1-N 3.02Å; T211-L214 PolarHBondContact OG1-O 3.39Å
212L55.7Low80.8Confident187 Ų18752.7 Ų52.798%0.97930%0.297SS*.THydrogen-bonded Turntrans-56.6-17.5177.3-86.7160.1000114.4
213L56.9Low80.7Confident164 Ų16456.4 Ų56.486%0.85931%0.307SS*.THydrogen-bonded Turntrans-110.5-20.3-179.5-62.9175.4000113.9T211T211-L213 PolarHBondContact O-N 3.36Å
214L60.7Low80.2Confident47 Ų4760.5 Ų60.525%0.24634%0.341CS..EExtended strand (participates in β ladder)trans-135.3111.5-179.4-63175000110W166 T211 D216 V217W166-L214 HydrophobicContact CD2-CD1 4.5Å; W166-L214 HydrophobicContact CH2-CD1 4.37Å; W166-L214 HydrophobicContact CH2-CD2 4.04Å; W166-L214 HydrophobicContact CZ2-CD1 3.76Å; W166-L214 HydrophobicContact CZ2-CD2 3.55Å; W166-L214 HydrophobicContact CZ2-CG 4.31Å; T211-L214 PolarHBondContact N-O 3.17Å; T211-L214 CarbonylContact O-C 3.52Å; T211-L214 PolarHBondContact O-N 3.46Å; T211-L214 VanDerWaalsContact O-O 3.1Å; T211-L214 WeakPolarHBondContact OG1-CB 3.26Å; T211-L214 PolarHBondContact OG1-N 3.02Å; T211-L214 PolarHBondContact OG1-O 3.39Å; L214-D216 PolarHBondContact O-N 2.96Å; L214-V217 HydrophobicContact CB-CG1 3.69Å; L214-V217 HydrophobicContact CD1-CG1 4.05Å
215P60.3Low80.2Confident113 Ų11363.3 Ų63.373%0.73436%0.355SS*.EExtended strand (participates in β ladder)trans-69.7126.7170.229.5-32.3000109.2
216D78.8Confident80.3Confident59 Ų5966 Ų6632%0.31637%0.367SS..EExtended strand (participates in β ladder)trans53.495.7172.3-89.84.9000115.6K208 L214 I235K208-D216 WeakPolarHBondContact CE-OD1 3.3Å; K208-D216 WeakPolarHBondContact CE-OD2 3.44Å; K208-D216 IonicContact NZ-OD1 3.35Å; K208-D216 PolarHBondContact NZ-OD1 3.4Å; K208-D216 VanDerWaalsContact NZ-OD1 3.13Å; K208-D216 IonicContact NZ-OD2 3.98Å; K208-D216 PolarHBondContact NZ-OD2 3.27Å; L214-D216 PolarHBondContact O-N 2.96Å; D216-I235 VanDerWaalsContact C-CD1 3.45Å; D216-I235 HydrophobicContact CB-CD1 3.78Å; D216-I235 HydrophobicContact CB-CG2 4.08Å; D216-I235 WeakPolarHBondContact O-CD1 3.28Å; D216-I235 WeakPolarHBondContact OD2-CG2 3.35Å
217V89.2Confident80.3Confident8 Ų866.4 Ų66.45%0.04837%0.369CS..EExtended strand (participates in β ladder)trans-116.8150.3173.2-50.40000111.6K208 S209 L214 V228 F229K208-V217 WeakPolarHBondContact CA-O 3.22Å; S209-V217 PolarHBondContact N-O 2.68Å; S209-V217 WeakPolarHBondContact O-CG2 3.37Å; S209-V217 PolarHBondContact O-N 3.01Å; L214-V217 HydrophobicContact CB-CG1 3.69Å; L214-V217 HydrophobicContact CD1-CG1 4.05Å; V217-V228 HydrophobicContact CB-CG1 4.06Å; V217-V228 HydrophobicContact CG1-CG1 4.42Å; V217-V228 HydrophobicContact CG2-CG1 4.23Å; V217-F229 CarbonylContact C-O 3.51Å; V217-F229 VanDerWaalsContact CA-O 3.28Å; V217-F229 WeakPolarHBondContact CA-O 3.44Å; V217-F229 WeakPolarHBondContact CB-O 3.36Å
218I92.9Very high80.5Confident4 Ų465.8 Ų65.82%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-101.5122.8164.3-57.6-177.3000107.5L206 V220 F229 F232 I235 T238 F239L206-I218 HydrophobicContact CD1-CG2 3.87Å; I218-V220 HydrophobicContact CG2-CG2 4.1Å; I218-F229 PolarHBondContact N-O 2.99Å; I218-F229 PolarHBondContact O-N 3.18Å; I218-F232 HydrophobicContact CB-CE2 4.08Å; I218-F232 HydrophobicContact CB-CZ 4.45Å; I218-F232 HydrophobicContact CD1-CD2 4.33Å; I218-F232 HydrophobicContact CD1-CE1 4.47Å; I218-F232 HydrophobicContact CD1-CE2 3.73Å; I218-F232 HydrophobicContact CD1-CZ 3.81Å; I218-F232 HydrophobicContact CG1-CD2 4.34Å; I218-F232 HydrophobicContact CG1-CE2 3.7Å; I218-F232 HydrophobicContact CG1-CZ 4.21Å; I218-I235 HydrophobicContact CD1-CG1 3.95Å; I218-I235 HydrophobicContact CG1-CD1 3.78Å; I218-I235 HydrophobicContact CG1-CG1 3.69Å; I218-T238 HydrophobicContact CD1-CG2 3.94Å; I218-F239 HydrophobicContact CD1-CB 4.04Å; I218-F239 HydrophobicContact CD1-CD2 4.16Å; I218-F239 HydrophobicContact CG1-CD2 4.08Å; I218-F239 HydrophobicContact CG2-CD2 4.04Å; I218-F239 HydrophobicContact CG2-CE2 4.4Å
219K92.2Very high80.7Confident46 Ų4662.7 Ų62.720%0.235%0.354CS..EExtended strand (participates in β ladder)trans-102.5127.3173173.2174.7173.21370109.1E207 S221 E226E207-K219 PolarHBondContact N-O 3.35Å; E207-K219 PolarHBondContact O-N 2.96Å; K219-S221 WeakPolarHBondContact CE-OG 3.39Å; K219-E226 HydrophobicContact CD-CG 4.49Å; K219-E226 WeakPolarHBondContact CD-OE1 3.47Å; K219-E226 WeakPolarHBondContact CE-OE1 3.32Å; K219-E226 WeakPolarHBondContact CE-OE2 3.32Å; K219-E226 HydrophobicContact CG-CG 4.19Å; K219-E226 IonicContact NZ-OE1 3.57Å; K219-E226 PolarHBondContact NZ-OE1 3.02Å; K219-E226 IonicContact NZ-OE2 3.57Å; K219-E226 PolarHBondContact NZ-OE2 3.45Å
220V93.5Very high81.1Confident2 Ų260.9 Ų60.91%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-121.3105.2175.7-174.20000107.9I183 I203 L206 I218 H227 F229I183-V220 HydrophobicContact CD1-CG2 4.26Å; I203-V220 HydrophobicContact CD1-CG1 3.69Å; I203-V220 HydrophobicContact CG1-CG1 3.78Å; I203-V220 HydrophobicContact CG2-CG1 4.17Å; L206-V220 HydrophobicContact CD1-CG2 3.84Å; I218-V220 HydrophobicContact CG2-CG2 4.1Å; V220-H227 HydrophobicContact CB-CB 4.35Å; V220-H227 PolarHBondContact N-O 2.86Å; V220-H227 PolarHBondContact O-N 3.26Å; V220-F229 HydrophobicContact CB-CE2 4.37Å; V220-F229 HydrophobicContact CG2-CD2 4.2Å; V220-F229 HydrophobicContact CG2-CE2 3.88Å
221S91.4Very high81.8Confident11 Ų1162.4 Ų62.48%0.07734%0.343CS..EExtended strand (participates in β ladder)trans-94136.7175.6-43.20000110I203 T204 Q205 K219I203-S221 WeakPolarHBondContact CA-O 3.47Å; T204-S221 PolarHBondContact N-O 3.32Å; T204-S221 PolarHBondContact OG1-O 3.48Å; Q205-S221 PolarHBondContact N-O 2.93Å; Q205-S221 PolarHBondContact O-N 2.94Å; Q205-S221 PolarHBondContact OE1-OG 3.39Å; K219-S221 WeakPolarHBondContact CE-OG 3.39Å
222T89.6Confident82.8Confident23 Ų2360.2 Ų60.214%0.14133%0.328CS..EExtended strand (participates in β ladder)trans-113.2176.3165.3650000108.8V198 A224 N225V198-T222 HydrophobicContact CG1-CG2 3.62Å; V198-T222 HydrophobicContact CG2-CG2 4.39Å; T222-A224 PolarHBondContact O-N 3.25Å; T222-A224 VanDerWaalsContact O-N 3.17Å; T222-N225 PolarHBondContact N-O 2.72Å; T222-N225 PolarHBondContact OG1-N 2.96Å; T222-N225 PolarHBondContact OG1-O 3.27Å
223R82.3Confident83.9Confident132 Ų13259.3 Ų59.350%0.49832%0.323SS..SBendtrans-57.6-26.5176.2-66.4169172.9-108.4-6.5114.4T204 D801T204-R223 HydrophobicContact CG2-CG 3.73Å; R223-D801 IonicContact CZ-OD1 2.66Å; R223-D801 IonicContact CZ-OD2 3.95Å; R223-D801 VanDerWaalsContact CZ-OD2 3.28Å; R223-D801 VanDerWaalsContact NH1-CG 3.32Å; R223-D801 IonicContact NH1-OD1 2.81Å; R223-D801 PolarHBondContact NH1-OD1 2.85Å; R223-D801 IonicContact NH1-OD2 3.08Å; R223-D801 PolarHBondContact NH1-OD2 3.05Å; R223-D801 VanDerWaalsContact NH1-OD2 3.14Å; R223-D801 IonicContact NH2-OD1 2.8Å; R223-D801 PolarHBondContact NH2-OD1 2.92Å; R223-D801 IonicContact NH2-OD2 3.88Å; R223-D801 PolarHBondContact NH2-OD2 2.97Å
224A80.6Confident85.1Confident86 Ų8655 Ų5571%0.71130%0.301SS*.SBendtrans-122.4-19-173.500000114.9T222T222-A224 PolarHBondContact O-N 3.25Å; T222-A224 VanDerWaalsContact O-N 3.17Å
225N86.6Confident86.4Confident96 Ų9653.3 Ų53.351%0.51329%0.292SS..  trans-142.3143.6-173.9-64.5-86.3000112.1T222 H227T222-N225 PolarHBondContact N-O 2.72Å; T222-N225 PolarHBondContact OG1-N 2.96Å; T222-N225 PolarHBondContact OG1-O 3.27Å; N225-H227 WeakPolarHBondContact CB-NE2 3.45Å
226E90.9Very high87.7Confident103 Ų10352 Ų5248%0.48128%0.279SS..EExtended strand (participates in β ladder)trans-101.2133.2165.6178.9174.4163.600110.3K219 V228K219-E226 HydrophobicContact CD-CG 4.49Å; K219-E226 WeakPolarHBondContact CD-OE1 3.47Å; K219-E226 WeakPolarHBondContact CE-OE1 3.32Å; K219-E226 WeakPolarHBondContact CE-OE2 3.32Å; K219-E226 HydrophobicContact CG-CG 4.19Å; K219-E226 IonicContact NZ-OE1 3.57Å; K219-E226 PolarHBondContact NZ-OE1 3.02Å; K219-E226 IonicContact NZ-OE2 3.57Å; K219-E226 PolarHBondContact NZ-OE2 3.45Å; E226-V228 HydrophobicContact CG-CG2 4.14Å
227H92Very high88.1Confident13 Ų1352.3 Ų52.36%0.0628%0.278CS..EExtended strand (participates in β ladder)trans-121.4117.5178.1-55.3-67.2000110.3Y165 L196 V220 N225 F229Y165-H227 HydrophobicContact CE2-CB 3.84Å; Y165-H227 AromaticContact CE2-ND1 3.84Å; Y165-H227 AromaticContact CZ-ND1 3.76Å; Y165-H227 PolarHBondContact OH-ND1 3.32Å; L196-H227 HydrophobicContact CD2-CB 4.31Å; V220-H227 HydrophobicContact CB-CB 4.35Å; V220-H227 PolarHBondContact N-O 2.86Å; V220-H227 PolarHBondContact O-N 3.26Å; N225-H227 WeakPolarHBondContact CB-NE2 3.45Å; H227-F229 HydrophobicContact CB-CE2 3.82Å; H227-F229 HydrophobicContact CB-CZ 4.07Å
228V92.3Very high88.2Confident32 Ų3252 Ų5219%0.19428%0.276CS..EExtended strand (participates in β ladder)trans-109.3129.1-179.2-177.50000110.3Y165 W166 V217 E226Y165-V228 WeakPolarHBondContact CD2-O 3.35Å; W166-V228 HydrophobicContact CB-CB 4.38Å; W166-V228 PolarHBondContact N-O 2.95Å; V217-V228 HydrophobicContact CB-CG1 4.06Å; V217-V228 HydrophobicContact CG1-CG1 4.42Å; V217-V228 HydrophobicContact CG2-CG1 4.23Å; E226-V228 HydrophobicContact CG-CG2 4.14Å
229F92.6Very high88.1Confident3 Ų352.9 Ų52.91%0.01328%0.28CS..EExtended strand (participates in β ladder)trans-122.4140178.3-53.5-88000110.7S164 Y165 L176 F185 L196 V217 I218 V220 H227 F232S164-F229 CarbonylContact O-C 3.57Å; S164-F229 WeakPolarHBondContact O-CA 3.38Å; Y165-F229 AromaticContact CD2-CD1 3.86Å; Y165-F229 HydrophobicContact CD2-CD1 3.86Å; Y165-F229 AromaticContact CD2-CE1 3.5Å; Y165-F229 HydrophobicContact CD2-CE1 3.5Å; Y165-F229 AromaticContact CD2-CZ 3.95Å; Y165-F229 HydrophobicContact CD2-CZ 3.95Å; Y165-F229 HydrophobicContact CE2-CE1 4.34Å; Y165-F229 HydrophobicContact CE2-CZ 4.38Å; Y165-F229 HydrophobicContact CG-CD1 4.29Å; Y165-F229 AromaticContact CG-CE1 3.95Å; Y165-F229 HydrophobicContact CG-CE1 3.95Å; L176-F229 HydrophobicContact CD1-CD1 4.16Å; L176-F229 HydrophobicContact CD1-CE1 3.75Å; L176-F229 HydrophobicContact CD1-CZ 3.99Å; F185-F229 HydrophobicContact CB-CE1 3.94Å; F185-F229 HydrophobicContact CD2-CD1 4.35Å; F185-F229 HydrophobicContact CD2-CE1 4.09Å; F185-F229 HydrophobicContact CG-CE1 4.05Å; L196-F229 HydrophobicContact CD2-CE1 4.41Å; L196-F229 HydrophobicContact CD2-CZ 3.84Å; V217-F229 CarbonylContact C-O 3.51Å; V217-F229 VanDerWaalsContact CA-O 3.28Å; V217-F229 WeakPolarHBondContact CA-O 3.44Å; V217-F229 WeakPolarHBondContact CB-O 3.36Å; I218-F229 PolarHBondContact N-O 2.99Å; I218-F229 PolarHBondContact O-N 3.18Å; V220-F229 HydrophobicContact CB-CE2 4.37Å; V220-F229 HydrophobicContact CG2-CD2 4.2Å; V220-F229 HydrophobicContact CG2-CE2 3.88Å; H227-F229 HydrophobicContact CB-CE2 3.82Å; H227-F229 HydrophobicContact CB-CZ 4.07Å; F229-F232 HydrophobicContact CB-CE2 3.65Å; F229-F232 HydrophobicContact CB-CZ 3.48Å; F229-F232 VanDerWaalsContact CB-CZ 3.48Å; F229-F232 HydrophobicContact CG-CZ 4.39Å
230S90.3Very high88Confident2 Ų257.6 Ų57.61%0.01430%0.3CS..EExtended strand (participates in β ladder)trans-145.7-178.3178.973.60000112.5C163 S164 W166 F232C163-S230 WeakPolarHBondContact CA-O 3.41Å; C163-S230 WeakPolarHBondContact CB-O 3.35Å; S164-S230 PolarHBondContact N-O 2.68Å; S164-S230 PolarHBondContact O-N 3.46Å; W166-S230 PolarHBondContact NE1-OG 3.19Å; S230-F232 PolarHBondContact O-N 2.71Å
231V84.8Confident87.9Confident107 Ų10757.6 Ų57.665%0.64830%0.3SS*.  trans60.343.1179.5-157.40000112.5
232F84.9Confident88Confident27 Ų2757.2 Ų57.212%0.11830%0.298CS..  trans-81.5142172.1-66.7-82.5000111.4C163 L176 I218 F229 S230 N234 I235 T238C163-F232 HydrophobicContact CB-CD1 3.61Å; C163-F232 HydrophobicContact CB-CD2 4.46Å; C163-F232 HydrophobicContact CB-CE1 3.38Å; C163-F232 HydrophobicContact CB-CE2 4.28Å; C163-F232 HydrophobicContact CB-CG 4.16Å; C163-F232 HydrophobicContact CB-CZ 3.76Å; L176-F232 HydrophobicContact CD2-CE1 3.82Å; L176-F232 HydrophobicContact CD2-CZ 4.02Å; I218-F232 HydrophobicContact CB-CE2 4.08Å; I218-F232 HydrophobicContact CB-CZ 4.45Å; I218-F232 HydrophobicContact CD1-CD2 4.33Å; I218-F232 HydrophobicContact CD1-CE1 4.47Å; I218-F232 HydrophobicContact CD1-CE2 3.73Å; I218-F232 HydrophobicContact CD1-CZ 3.81Å; I218-F232 HydrophobicContact CG1-CD2 4.34Å; I218-F232 HydrophobicContact CG1-CE2 3.7Å; I218-F232 HydrophobicContact CG1-CZ 4.21Å; F229-F232 HydrophobicContact CB-CE2 3.65Å; F229-F232 HydrophobicContact CB-CZ 3.48Å; F229-F232 VanDerWaalsContact CB-CZ 3.48Å; F229-F232 HydrophobicContact CG-CZ 4.39Å; S230-F232 PolarHBondContact O-N 2.71Å; F232-N234 VanDerWaalsContact C-N 3.33Å; F232-N234 PolarHBondContact O-N 2.84Å; F232-I235 HydrophobicContact CB-CB 3.95Å; F232-I235 HydrophobicContact CD2-CB 4.28Å; F232-I235 HydrophobicContact CD2-CD1 4.05Å; F232-I235 HydrophobicContact CD2-CG1 3.92Å; F232-I235 HydrophobicContact CG-CB 4.4Å; F232-I235 HydrophobicContact CG-CG1 4.44Å; F232-T238 HydrophobicContact CD1-CG2 4.06Å; F232-T238 HydrophobicContact CE1-CG2 3.74Å; F232-T238 HydrophobicContact CZ-CG2 4.36Å
233L79.6Confident88Confident168 Ų16857.9 Ų57.988%0.8830%0.3SS*.THydrogen-bonded Turntrans-67.8-29.8172.3-67.3173.9000113.5
234N81.4Confident88.3Confident72 Ų7252.9 Ų52.939%0.38528%0.282SS..THydrogen-bonded Turntrans-149.270.3177.9-171.47000110.7F232 N236 E237 T238F232-N234 VanDerWaalsContact C-N 3.33Å; F232-N234 PolarHBondContact O-N 2.84Å; N234-N236 PolarHBondContact O-N 2.99Å; N234-N236 VanDerWaalsContact O-N 3.14Å; N234-E237 HydrophobicContact CB-CB 4.3Å; N234-E237 WeakPolarHBondContact ND2-CB 3.39Å; N234-E237 PolarHBondContact ND2-OE2 2.97Å; N234-E237 PolarHBondContact O-N 3.45Å; N234-T238 PolarHBondContact O-N 3.43Å; N234-T238 VanDerWaalsContact O-N 3.17Å; N234-T238 PolarHBondContact O-OG1 2.98Å
235I87.6Confident88.7Confident12 Ų1249 Ų496%0.06225%0.249CC..Hα-helixtrans-53.7-36-176.3-168.2169.9000113.2K208 D216 I218 F232 E237 T238 F239K208-I235 HydrophobicContact CD-CD1 4.49Å; K208-I235 HydrophobicContact CG-CD1 4.1Å; D216-I235 VanDerWaalsContact C-CD1 3.45Å; D216-I235 HydrophobicContact CB-CD1 3.78Å; D216-I235 HydrophobicContact CB-CG2 4.08Å; D216-I235 WeakPolarHBondContact O-CD1 3.28Å; D216-I235 WeakPolarHBondContact OD2-CG2 3.35Å; I218-I235 HydrophobicContact CD1-CG1 3.95Å; I218-I235 HydrophobicContact CG1-CD1 3.78Å; I218-I235 HydrophobicContact CG1-CG1 3.69Å; F232-I235 HydrophobicContact CB-CB 3.95Å; F232-I235 HydrophobicContact CD2-CB 4.28Å; F232-I235 HydrophobicContact CD2-CD1 4.05Å; F232-I235 HydrophobicContact CD2-CG1 3.92Å; F232-I235 HydrophobicContact CG-CB 4.4Å; F232-I235 HydrophobicContact CG-CG1 4.44Å; I235-E237 VanDerWaalsContact C-N 3.26Å; I235-E237 PolarHBondContact O-N 3.27Å; I235-T238 PolarHBondContact O-N 3.19Å; I235-F239 WeakPolarHBondContact O-CB 3.2Å; I235-F239 PolarHBondContact O-N 3.25Å
236N87.9Confident88.9Confident86 Ų8644.4 Ų44.446%0.4622%0.224SC..Hα-helixtrans-68.9-24.6-177-63.7-32.7000112.7K208 N234 K240K208-N236 PolarHBondContact NZ-OD1 3.26Å; N234-N236 PolarHBondContact O-N 2.99Å; N234-N236 VanDerWaalsContact O-N 3.14Å; N236-K240 WeakPolarHBondContact O-CD 3.39Å; N236-K240 VanDerWaalsContact O-CG 3.27Å; N236-K240 WeakPolarHBondContact O-CG 3.37Å
237E88.4Confident88.5Confident65 Ų6540.7 Ų40.730%0.30421%0.208SC..Hα-helixtrans-85.6-43.4173.8-175.5-153.6132.900111.2Y161 N234 I235 F239 K240 L241 K280Y161-E237 PolarHBondContact OH-OE1 3.42Å; N234-E237 HydrophobicContact CB-CB 4.3Å; N234-E237 WeakPolarHBondContact ND2-CB 3.39Å; N234-E237 PolarHBondContact ND2-OE2 2.97Å; N234-E237 PolarHBondContact O-N 3.45Å; I235-E237 VanDerWaalsContact C-N 3.26Å; I235-E237 PolarHBondContact O-N 3.27Å; E237-F239 VanDerWaalsContact C-N 3.33Å; E237-F239 PolarHBondContact O-N 3.33Å; E237-K240 PolarHBondContact O-N 2.95Å; E237-L241 WeakPolarHBondContact O-CB 3.48Å; E237-L241 PolarHBondContact O-N 2.96Å; E237-K280 WeakPolarHBondContact OE1-CE 3.22Å; E237-K280 IonicContact OE1-NZ 2.8Å
238T90.5Very high88Confident1 Ų141.8 Ų41.81%0.00621%0.214CC..Hα-helixtrans-60.1-43.9175.4-530000111.4Y161 L176 I218 F232 N234 I235 L241 A242Y161-T238 HydrophobicContact CD1-CG2 4.49Å; Y161-T238 WeakPolarHBondContact CD1-OG1 3.31Å; Y161-T238 HydrophobicContact CD2-CG2 3.69Å; Y161-T238 VanDerWaalsContact CE1-OG1 3.22Å; Y161-T238 WeakPolarHBondContact CE1-OG1 3.45Å; Y161-T238 HydrophobicContact CE2-CG2 3.97Å; Y161-T238 HydrophobicContact CG-CG2 3.97Å; L176-T238 HydrophobicContact CD2-CG2 4.2Å; I218-T238 HydrophobicContact CD1-CG2 3.94Å; F232-T238 HydrophobicContact CD1-CG2 4.06Å; F232-T238 HydrophobicContact CE1-CG2 3.74Å; F232-T238 HydrophobicContact CZ-CG2 4.36Å; N234-T238 PolarHBondContact O-N 3.43Å; N234-T238 VanDerWaalsContact O-N 3.17Å; N234-T238 PolarHBondContact O-OG1 2.98Å; I235-T238 PolarHBondContact O-N 3.19Å; T238-L241 PolarHBondContact O-N 3.29Å; T238-A242 WeakPolarHBondContact O-CB 3.3Å; T238-A242 PolarHBondContact O-N 3.34Å
239F91.6Very high87.6Confident24 Ų2440.3 Ų40.311%0.10521%0.205CC..Hα-helixtrans-63.1-51178.1-170.2-106.8000111.1L206 K208 I218 I235 E237 L241 A242 E243L206-F239 HydrophobicContact CD1-CE2 4.06Å; L206-F239 HydrophobicContact CD2-CE2 4.44Å; L206-F239 HydrophobicContact CG-CE2 3.77Å; L206-F239 HydrophobicContact CG-CZ 4.31Å; K208-F239 HydrophobicContact CB-CD1 4.14Å; K208-F239 HydrophobicContact CB-CD2 3.95Å; K208-F239 HydrophobicContact CB-CE1 4.04Å; K208-F239 HydrophobicContact CB-CE2 3.87Å; K208-F239 HydrophobicContact CB-CG 4.09Å; K208-F239 HydrophobicContact CB-CZ 3.92Å; K208-F239 VanDerWaalsContact N-CE2 3.29Å; I218-F239 HydrophobicContact CD1-CB 4.04Å; I218-F239 HydrophobicContact CD1-CD2 4.16Å; I218-F239 HydrophobicContact CG1-CD2 4.08Å; I218-F239 HydrophobicContact CG2-CD2 4.04Å; I218-F239 HydrophobicContact CG2-CE2 4.4Å; I235-F239 WeakPolarHBondContact O-CB 3.2Å; I235-F239 PolarHBondContact O-N 3.25Å; E237-F239 VanDerWaalsContact C-N 3.33Å; E237-F239 PolarHBondContact O-N 3.33Å; F239-L241 VanDerWaalsContact C-N 3.27Å; F239-L241 PolarHBondContact O-N 3.48Å; F239-A242 CarbonylContact O-C 3.51Å; F239-A242 WeakPolarHBondContact O-CA 3.13Å; F239-A242 WeakPolarHBondContact O-CB 3.38Å; F239-A242 PolarHBondContact O-N 3.08Å; F239-E243 VanDerWaalsContact CD1-CD 3.46Å; F239-E243 HydrophobicContact CD1-CG 3.86Å; F239-E243 WeakPolarHBondContact CD1-OE2 3.27Å; F239-E243 HydrophobicContact CE1-CG 3.61Å; F239-E243 VanDerWaalsContact CE1-OE1 3.28Å; F239-E243 WeakPolarHBondContact CE1-OE1 3.28Å; F239-E243 HydrophobicContact CG-CG 4.45Å; F239-E243 HydrophobicContact CZ-CG 3.98Å; F239-E243 WeakPolarHBondContact O-CG 3.18Å; F239-E243 PolarHBondContact O-N 3.37Å
240K89.1Confident86.9Confident144 Ų14440.2 Ų40.263%0.62621%0.205SC*.Hα-helixtrans-60-34.5178.7-75.4178.8179.5-172.50114N236 E237 E243 Q244N236-K240 WeakPolarHBondContact O-CD 3.39Å; N236-K240 VanDerWaalsContact O-CG 3.27Å; N236-K240 WeakPolarHBondContact O-CG 3.37Å; E237-K240 PolarHBondContact O-N 2.95Å; K240-E243 WeakPolarHBondContact CA-OE2 3.2Å; K240-E243 WeakPolarHBondContact CG-OE2 3.23Å; K240-Q244 WeakPolarHBondContact O-CB 3.42Å; K240-Q244 PolarHBondContact O-N 3.44Å
241L91.1Very high86.1Confident2 Ų244.2 Ų44.21%0.0122%0.22CC..Hα-helixtrans-71-37.9174.3-172.658.3000111.8V158 N159 Y161 L178 E237 T238 F239 Q244 L245 K280 L283V158-L241 HydrophobicContact CG1-CD1 4.02Å; V158-L241 HydrophobicContact CG1-CD2 4.1Å; V158-L241 HydrophobicContact CG1-CG 4.43Å; N159-L241 HydrophobicContact CB-CD2 3.83Å; Y161-L241 HydrophobicContact CE2-CD2 4.15Å; L178-L241 HydrophobicContact CD1-CB 4.31Å; L178-L241 HydrophobicContact CD1-CD2 4.14Å; L178-L241 HydrophobicContact CD1-CG 4.12Å; E237-L241 WeakPolarHBondContact O-CB 3.48Å; E237-L241 PolarHBondContact O-N 2.96Å; T238-L241 PolarHBondContact O-N 3.29Å; F239-L241 VanDerWaalsContact C-N 3.27Å; F239-L241 PolarHBondContact O-N 3.48Å; L241-Q244 PolarHBondContact O-N 2.97Å; L241-L245 HydrophobicContact CD1-CD1 4.39Å; L241-L245 HydrophobicContact CG-CD1 4.13Å; L241-L245 WeakPolarHBondContact O-CB 3.3Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.21Å; L241-L245 PolarHBondContact O-N 2.96Å; L241-K280 HydrophobicContact CD2-CD 3.92Å; L241-L283 HydrophobicContact CD1-CD1 4.16Å
242A92.9Very high85.7Confident3 Ų339.8 Ų39.83%0.02519%0.191CC..Hα-helixtrans-66.4-41.6172.800000112.2L178 W200 L206 T238 F239 Q244 L245 A246L178-A242 HydrophobicContact CD1-CB 4.43Å; W200-A242 HydrophobicContact CH2-CB 3.64Å; W200-A242 HydrophobicContact CZ3-CB 3.83Å; L206-A242 HydrophobicContact CD2-CB 3.93Å; T238-A242 WeakPolarHBondContact O-CB 3.3Å; T238-A242 PolarHBondContact O-N 3.34Å; F239-A242 CarbonylContact O-C 3.51Å; F239-A242 WeakPolarHBondContact O-CA 3.13Å; F239-A242 WeakPolarHBondContact O-CB 3.38Å; F239-A242 PolarHBondContact O-N 3.08Å; A242-Q244 PolarHBondContact O-N 3.3Å; A242-L245 PolarHBondContact O-N 2.93Å; A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.42Å
243E89.8Confident85Confident38 Ų3838.9 Ų38.918%0.17819%0.187CC..Hα-helixtrans-58.2-46.6172.1-68.2178.1110.600111L206 F239 K240 A246 N247 F789L206-E243 HydrophobicContact CD2-CG 4.15Å; F239-E243 VanDerWaalsContact CD1-CD 3.46Å; F239-E243 HydrophobicContact CD1-CG 3.86Å; F239-E243 WeakPolarHBondContact CD1-OE2 3.27Å; F239-E243 HydrophobicContact CE1-CG 3.61Å; F239-E243 VanDerWaalsContact CE1-OE1 3.28Å; F239-E243 WeakPolarHBondContact CE1-OE1 3.28Å; F239-E243 HydrophobicContact CG-CG 4.45Å; F239-E243 HydrophobicContact CZ-CG 3.98Å; F239-E243 WeakPolarHBondContact O-CG 3.18Å; F239-E243 PolarHBondContact O-N 3.37Å; K240-E243 WeakPolarHBondContact CA-OE2 3.2Å; K240-E243 WeakPolarHBondContact CG-OE2 3.23Å; E243-A246 PolarHBondContact O-N 3.2Å; E243-N247 VanDerWaalsContact O-CB 3.23Å; E243-N247 WeakPolarHBondContact O-CB 3.43Å; E243-N247 PolarHBondContact O-N 3.49Å; E243-F789 HydrophobicContact CB-CD1 4.47Å; E243-F789 HydrophobicContact CB-CE1 4.13Å; E243-F789 HydrophobicContact CB-CE2 4.25Å; E243-F789 HydrophobicContact CB-CZ 4.02Å; E243-F789 HydrophobicContact CG-CD1 4.1Å; E243-F789 HydrophobicContact CG-CE1 3.75Å; E243-F789 HydrophobicContact CG-CZ 4.11Å; E243-F789 VanDerWaalsContact O-CE2 3.28Å; E243-F789 WeakPolarHBondContact O-CE2 3.38Å
244Q88.5Confident84.3Confident27 Ų2731.5 Ų31.513%0.12615%0.149CC..Hα-helixtrans-64.4-44.3179.7-171.5175.612.400112.2K240 L241 A242 N247 I248 L283K240-Q244 WeakPolarHBondContact O-CB 3.42Å; K240-Q244 PolarHBondContact O-N 3.44Å; L241-Q244 PolarHBondContact O-N 2.97Å; A242-Q244 PolarHBondContact O-N 3.3Å; Q244-N247 PolarHBondContact O-N 3.43Å; Q244-I248 HydrophobicContact CG-CD1 4.06Å; Q244-I248 WeakPolarHBondContact O-CB 3.38Å; Q244-I248 WeakPolarHBondContact O-CD1 3.25Å; Q244-I248 VanDerWaalsContact O-CG1 3.24Å; Q244-I248 WeakPolarHBondContact O-CG1 3.43Å; Q244-I248 PolarHBondContact O-N 2.96Å; Q244-L283 PolarHBondContact NE2-O 3.18Å; Q244-L283 PolarHBondContact OE1-O 2.96Å
245L90.8Very high83.3Confident3 Ų331 Ų312%0.01615%0.146CC..Hα-helixtrans-67.8-41.1178.3-69.5167.9000112V158 L178 W200 L241 A242 I248 A249 L283V158-L245 HydrophobicContact CB-CD1 4.4Å; V158-L245 HydrophobicContact CG2-CD1 4.19Å; V158-L245 HydrophobicContact CG2-CD2 3.94Å; L178-L245 HydrophobicContact CB-CD1 3.86Å; L178-L245 HydrophobicContact CD1-CD1 4.42Å; W200-L245 HydrophobicContact CD2-CB 3.99Å; W200-L245 HydrophobicContact CG-CB 4.4Å; W200-L245 HydrophobicContact CH2-CB 4.38Å; W200-L245 HydrophobicContact CZ2-CB 3.79Å; W200-L245 HydrophobicContact CZ2-CD1 3.69Å; W200-L245 HydrophobicContact CZ2-CG 4.4Å; L241-L245 HydrophobicContact CD1-CD1 4.39Å; L241-L245 HydrophobicContact CG-CD1 4.13Å; L241-L245 WeakPolarHBondContact O-CB 3.3Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.21Å; L241-L245 PolarHBondContact O-N 2.96Å; A242-L245 PolarHBondContact O-N 2.93Å; L245-I248 PolarHBondContact O-N 3.26Å; L245-A249 PolarHBondContact O-N 2.95Å; L245-L283 HydrophobicContact CD2-CD1 3.87Å
246A90Very high81.7Confident0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-59.8-48.5171.500000111.7W200 L206 A242 E243 I248 A249 M250 F789W200-A246 HydrophobicContact CE3-CB 3.99Å; L206-A246 HydrophobicContact CD2-CB 4.33Å; A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.42Å; E243-A246 PolarHBondContact O-N 3.2Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 2.95Å; A246-A249 PolarHBondContact O-N 2.92Å; A246-M250 WeakPolarHBondContact O-CB 3.46Å; A246-M250 WeakPolarHBondContact O-CG 3.43Å; A246-M250 PolarHBondContact O-N 3.33Å; A246-F789 HydrophobicContact CB-CE2 4.08Å; A246-F789 HydrophobicContact CB-CZ 3.94Å
247N83Confident80.1Confident26 Ų2631.1 Ų31.114%0.13914%0.143CC..Hα-helixtrans-63.1-35179.1-169.353.9000112.3E243 Q244 R251 F789 R792E243-N247 VanDerWaalsContact O-CB 3.23Å; E243-N247 WeakPolarHBondContact O-CB 3.43Å; E243-N247 PolarHBondContact O-N 3.49Å; Q244-N247 PolarHBondContact O-N 3.43Å; N247-R251 WeakPolarHBondContact O-CB 3.33Å; N247-R251 WeakPolarHBondContact O-CG 3.32Å; N247-R251 PolarHBondContact O-N 2.92Å; N247-F789 HydrophobicContact CB-CD2 4.1Å; N247-F789 HydrophobicContact CB-CE2 4.01Å; N247-R792 WeakPolarHBondContact OD1-CD 3.48Å; N247-R792 PolarHBondContact OD1-NH1 3.35Å
248I81.9Confident78.2Confident35 Ų3530 Ų3018%0.17915%0.148CC..Hα-helixtrans-65.8-49.7172.7-73.6166000110.8Q244 L245 A246 M250 R251 R252 L283Q244-I248 HydrophobicContact CG-CD1 4.06Å; Q244-I248 WeakPolarHBondContact O-CB 3.38Å; Q244-I248 WeakPolarHBondContact O-CD1 3.25Å; Q244-I248 VanDerWaalsContact O-CG1 3.24Å; Q244-I248 WeakPolarHBondContact O-CG1 3.43Å; Q244-I248 PolarHBondContact O-N 2.96Å; L245-I248 PolarHBondContact O-N 3.26Å; A246-I248 VanDerWaalsContact C-N 3.3Å; A246-I248 PolarHBondContact O-N 2.95Å; I248-M250 VanDerWaalsContact C-N 3.33Å; I248-M250 PolarHBondContact O-N 3.41Å; I248-R251 PolarHBondContact O-N 3.28Å; I248-R252 WeakPolarHBondContact O-CG 3.47Å; I248-R252 PolarHBondContact O-N 3.17Å; I248-L283 HydrophobicContact CD1-CD2 3.49Å; I248-L283 VanDerWaalsContact CD1-CD2 3.49Å
249A82.4Confident76.7Confident2 Ų232.2 Ų32.22%0.01716%0.158CC..Hα-helixtrans-63.1-39.9179.600000112.3W200 L245 A246 R252 L253W200-A249 HydrophobicContact CB-CB 3.38Å; W200-A249 HydrophobicContact CG-CB 4.36Å; L245-A249 PolarHBondContact O-N 2.95Å; A246-A249 PolarHBondContact O-N 2.92Å; A249-R252 WeakPolarHBondContact O-CB 3.26Å; A249-R252 PolarHBondContact O-N 3.44Å; A249-R252 VanDerWaalsContact O-N 3.11Å; A249-L253 PolarHBondContact O-N 3.14Å; A249-L253 VanDerWaalsContact O-N 3.11Å
250M79.1Confident75Confident1 Ų139 Ų391%0.00519%0.19CC..Hα-helixtrans-62.8-40.9174.5-72.6-64.814600112.4W200 A246 I248 R252 L253 L793 I796W200-M250 VanDerWaalsContact O-CE 3.28Å; W200-M250 WeakPolarHBondContact O-CE 3.45Å; A246-M250 WeakPolarHBondContact O-CB 3.46Å; A246-M250 WeakPolarHBondContact O-CG 3.43Å; A246-M250 PolarHBondContact O-N 3.33Å; I248-M250 VanDerWaalsContact C-N 3.33Å; I248-M250 PolarHBondContact O-N 3.41Å; M250-R252 VanDerWaalsContact C-N 3.31Å; M250-R252 PolarHBondContact O-N 3.29Å; M250-L253 HydrophobicContact CE-CD1 4.29Å; M250-L253 PolarHBondContact O-N 3.17Å; M250-L253 HydrophobicContact SD-CD1 4.02Å; M250-L793 HydrophobicContact CE-CD2 3.79Å; M250-L793 HydrophobicContact CG-CD2 3.8Å; M250-L793 HydrophobicContact SD-CD2 4.08Å; M250-I796 HydrophobicContact CB-CD1 3.76Å; M250-I796 HydrophobicContact CG-CD1 4.45Å; M250-I796 HydrophobicContact SD-CB 4.26Å; M250-I796 HydrophobicContact SD-CD1 4.31Å; M250-I796 HydrophobicContact SD-CG2 4.03Å
251R73.6Confident73.4Confident85 Ų8536.1 Ų36.132%0.32118%0.181SC..Hα-helixtrans-62.7-35.6170.8-79.8176.5169.2162.5-2.4112.2N247 I248 L253 L254 D255 E290N247-R251 WeakPolarHBondContact O-CB 3.33Å; N247-R251 WeakPolarHBondContact O-CG 3.32Å; N247-R251 PolarHBondContact O-N 2.92Å; I248-R251 PolarHBondContact O-N 3.28Å; R251-L253 PolarHBondContact O-N 3.26Å; R251-L254 PolarHBondContact O-N 3.43Å; R251-D255 WeakPolarHBondContact O-CB 3.27Å; R251-D255 PolarHBondContact O-N 3Å; R251-E290 IonicContact NH1-OE1 2.67Å; R251-E290 PolarHBondContact NH1-OE1 2.99Å
252R74.9Confident71.8Confident15 Ų1537.9 Ų37.96%0.05719%0.19CC..Hα-helixtrans-66.4-34.7175-58.3-151.2-156.8118.433.6113.3N181 I248 A249 M250 L254 N256 K257N181-R252 PolarHBondContact OD1-NH1 3.1Å; I248-R252 WeakPolarHBondContact O-CG 3.47Å; I248-R252 PolarHBondContact O-N 3.17Å; A249-R252 WeakPolarHBondContact O-CB 3.26Å; A249-R252 PolarHBondContact O-N 3.44Å; A249-R252 VanDerWaalsContact O-N 3.11Å; M250-R252 VanDerWaalsContact C-N 3.31Å; M250-R252 PolarHBondContact O-N 3.29Å; R252-L254 PolarHBondContact O-N 3.22Å; R252-L254 VanDerWaalsContact O-N 3.12Å; R252-N256 VanDerWaalsContact O-CA 3.22Å; R252-N256 WeakPolarHBondContact O-CA 3.42Å; R252-N256 PolarHBondContact O-N 3.09Å; R252-N256 PolarHBondContact O-OD1 3.47Å; R252-K257 WeakPolarHBondContact CD-O 3.19Å; R252-K257 VanDerWaalsContact CG-O 3.28Å; R252-K257 WeakPolarHBondContact CG-O 3.24Å; R252-K257 PolarHBondContact NE-O 3.04Å
253L70.6Confident70Confident7 Ų749 Ų494%0.03723%0.231CC..Hα-helixtrans-61.8-17.4174.8-67.2177.6000113.6A201 A249 M250 R251 I796 L834A201-L253 HydrophobicContact CB-CD1 4.02Å; A201-L253 HydrophobicContact CB-CD2 4.14Å; A201-L253 HydrophobicContact CB-CG 4.35Å; A249-L253 PolarHBondContact O-N 3.14Å; A249-L253 VanDerWaalsContact O-N 3.11Å; M250-L253 HydrophobicContact CE-CD1 4.29Å; M250-L253 PolarHBondContact O-N 3.17Å; M250-L253 HydrophobicContact SD-CD1 4.02Å; R251-L253 PolarHBondContact O-N 3.26Å; L253-I796 HydrophobicContact CB-CG2 4.31Å; L253-I796 HydrophobicContact CD1-CG2 4.19Å; L253-L834 HydrophobicContact CD2-CD1 3.9Å; L253-L834 HydrophobicContact CD2-CD2 3.74Å
254L65.4Low68.3Low13 Ų1351 Ų517%0.06825%0.25CS..Hα-helixtrans-100.9-50.7177-60.3172.1000112.1R251 R252 V635 I796 H849R251-L254 PolarHBondContact O-N 3.43Å; R252-L254 PolarHBondContact O-N 3.22Å; R252-L254 VanDerWaalsContact O-N 3.12Å; L254-V635 HydrophobicContact CD1-CB 4.43Å; L254-V635 HydrophobicContact CD1-CG1 4Å; L254-V635 HydrophobicContact CD1-CG2 4.11Å; L254-V635 HydrophobicContact CD2-CG2 4.12Å; L254-I796 HydrophobicContact CD1-CD1 3.72Å; L254-I796 HydrophobicContact CD1-CG1 4.07Å; L254-I796 HydrophobicContact CD2-CG1 4.31Å; L254-I796 HydrophobicContact CG-CD1 4.21Å; L254-I796 HydrophobicContact CG-CG1 4.38Å; L254-H849 PolarHBondContact O-NE2 3.49Å
255D59.6Low66.8Low63 Ų6352.8 Ų52.834%0.33726%0.26SS..Hα-helixtrans-100.5-14.1-168-83.142.2000114.4R251 K257R251-D255 WeakPolarHBondContact O-CB 3.27Å; R251-D255 PolarHBondContact O-N 3Å; D255-K257 HydrophobicContact CB-CD 4.05Å; D255-K257 HydrophobicContact CB-CG 4.36Å; D255-K257 PolarHBondContact O-N 2.69Å; D255-K257 IonicContact OD2-NZ 3.6Å; D255-K257 PolarHBondContact OD2-NZ 3.47Å
256N54.1Low64.8Low4 Ų457.6 Ų57.62%0.02129%0.291CS..  trans49.310.5-170.6-81.3-50.8000117.9R252 G258 H849R252-N256 VanDerWaalsContact O-CA 3.22Å; R252-N256 WeakPolarHBondContact O-CA 3.42Å; R252-N256 PolarHBondContact O-N 3.09Å; R252-N256 PolarHBondContact O-OD1 3.47Å; N256-G258 PolarHBondContact O-N 3.06Å; N256-H849 WeakPolarHBondContact ND2-CB 3.3Å; N256-H849 PolarHBondContact ND2-CD2 2.78Å; N256-H849 PolarHBondContact ND2-ND1 3.31Å
257K53.9Low63.1Low96 Ų9663.8 Ų63.842%0.41732%0.318SS..  trans-68.2116.6175.8-71159.3-163.1154.70111R252 D255 N591R252-K257 WeakPolarHBondContact CD-O 3.19Å; R252-K257 VanDerWaalsContact CG-O 3.28Å; R252-K257 WeakPolarHBondContact CG-O 3.24Å; R252-K257 PolarHBondContact NE-O 3.04Å; D255-K257 HydrophobicContact CB-CD 4.05Å; D255-K257 HydrophobicContact CB-CG 4.36Å; D255-K257 PolarHBondContact O-N 2.69Å; D255-K257 IonicContact OD2-NZ 3.6Å; D255-K257 PolarHBondContact OD2-NZ 3.47Å; K257-N591 WeakPolarHBondContact CE-OD1 3.48Å; K257-N591 PolarHBondContact NZ-OD1 2.81Å
258G49.9Very low61.3Low41 Ų4164.6 Ų64.642%0.42332%0.323SS..  trans-62.8175.9-178.500000114.5N256 E260N256-G258 PolarHBondContact O-N 3.06Å; G258-E260 PolarHBondContact O-N 3.35Å
259F57.9Low59.6Low48 Ų4871.9 Ų71.921%0.21135%0.353CS..  trans-84.499.5174-171.6-93.9000111.9I180 L261 L279 L283I180-F259 HydrophobicContact CD1-CB 4.43Å; I180-F259 HydrophobicContact CD1-CD1 3.81Å; I180-F259 HydrophobicContact CD1-CE1 4.43Å; I180-F259 HydrophobicContact CD1-CG 4.19Å; I180-F259 HydrophobicContact CG2-CB 3.94Å; I180-F259 HydrophobicContact CG2-CG 4.23Å; F259-L261 HydrophobicContact CE1-CB 4.09Å; F259-L261 HydrophobicContact CE1-CD1 3.97Å; F259-L279 HydrophobicContact CD1-CD1 4.29Å; F259-L279 HydrophobicContact CE1-CD1 3.36Å; F259-L279 HydrophobicContact CZ-CD1 3.55Å; F259-L283 HydrophobicContact CE2-CD2 3.88Å; F259-L283 HydrophobicContact CZ-CD2 4.27Å
260E56.6Low58Low165 Ų16581.9 Ų81.977%0.77140%0.396SS*.  trans-80.4131.5163.5-62.3-172.3166.500110.5G258 R286G258-E260 PolarHBondContact O-N 3.35Å; E260-R286 VanDerWaalsContact O-CZ 3.3Å; E260-R286 PolarHBondContact O-NH1 2.83Å; E260-R286 PolarHBondContact O-NH2 3.32Å
261L56.4Low56.1Low85 Ų8591.9 Ų91.945%0.44544%0.439SS..  trans-89.1133.8175.5-176.483.2000110.3F259 R263 L279 D282F259-L261 HydrophobicContact CE1-CB 4.09Å; F259-L261 HydrophobicContact CE1-CD1 3.97Å; L261-R263 PolarHBondContact O-N 3.37Å; L261-R263 VanDerWaalsContact O-N 3.11Å; L261-L279 HydrophobicContact CD1-CD1 3.78Å; L261-D282 HydrophobicContact CD1-CB 4.35Å; L261-D282 VanDerWaalsContact CD1-OD2 3.32Å; L261-D282 WeakPolarHBondContact CD1-OD2 3.41Å
262D56.2Low54.6Low38 Ų3890.1 Ų90.120%0.20344%0.44CS..  trans-83.293.9-177.8-169.8-10.1000110.8S264 L265 D282 K303D262-S264 PolarHBondContact O-N 3.36Å; D262-S264 VanDerWaalsContact O-N 3.16Å; D262-S264 WeakPolarHBondContact OD1-CB 3.46Å; D262-S264 PolarHBondContact OD1-N 3.44Å; D262-S264 PolarHBondContact OD1-OG 3.23Å; D262-S264 PolarHBondContact OD2-OG 2.89Å; D262-L265 HydrophobicContact CB-CD1 4.18Å; D262-L265 HydrophobicContact CB-CG 4.42Å; D262-D282 WeakPolarHBondContact CB-OD1 3.34Å; D262-D282 PolarHBondContact N-OD2 3.04Å; D262-K303 IonicContact OD1-NZ 2.65Å; D262-K303 PolarHBondContact OD1-NZ 3.03Å; D262-K303 IonicContact OD2-NZ 2.73Å; D262-K303 PolarHBondContact OD2-NZ 2.92Å
263R56.2Low53.3Low236 Ų23694 Ų9489%0.89147%0.467SS*.THydrogen-bonded Turntrans-69.8-4.3179.7-56.3-173-171.9-172.24.3113.9L261 L265L261-R263 PolarHBondContact O-N 3.37Å; L261-R263 VanDerWaalsContact O-N 3.11Å; R263-L265 VanDerWaalsContact C-N 3.35Å
264S52.3Low52.5Low82 Ų82102 Ų10257%0.57350%0.502SS*.THydrogen-bonded Turntrans-83.4-5.9-179.468.70000114.5D262 K303D262-S264 PolarHBondContact O-N 3.36Å; D262-S264 VanDerWaalsContact O-N 3.16Å; D262-S264 WeakPolarHBondContact OD1-CB 3.46Å; D262-S264 PolarHBondContact OD1-N 3.44Å; D262-S264 PolarHBondContact OD1-OG 3.23Å; D262-S264 PolarHBondContact OD2-OG 2.89Å; S264-K303 PolarHBondContact OG-NZ 2.83Å; S264-K303 VanDerWaalsContact OG-NZ 3.11Å
265L57.5Low52.1Low63 Ų63108 Ų10833%0.3353%0.527SS..SBendtrans-75.3144.9-174.8-68.4167.7000113.6D262 R263 K267 D282 A285D262-L265 HydrophobicContact CB-CD1 4.18Å; D262-L265 HydrophobicContact CB-CG 4.42Å; R263-L265 VanDerWaalsContact C-N 3.35Å; L265-K267 PolarHBondContact O-N 3.41Å; L265-D282 VanDerWaalsContact CD1-CA 3.42Å; L265-D282 HydrophobicContact CD1-CB 3.59Å; L265-A285 HydrophobicContact CD1-CB 4.31Å; L265-A285 HydrophobicContact CD2-CB 3.87Å
266P50.3Low52.6Low104 Ų104106.7 Ų106.768%0.67552%0.521SS*.PPolyproline II helixtrans-61127-178.4-25.535000114.6
267K52.9Low53.9Low130 Ų130106.5 Ų106.557%0.56552%0.52SS*.PPolyproline II helixtrans-54.8152.5172.4-77.6-163.8174.8-170.30113E131 L265 K269E131-K267 IonicContact OE2-NZ 3.23Å; E131-K267 PolarHBondContact OE2-NZ 2.81Å; L265-K267 PolarHBondContact O-N 3.41Å; K267-K269 PolarHBondContact O-N 3.11Å; K267-K269 VanDerWaalsContact O-N 3.14Å
268L45.8Very low55.1Low44 Ų44103.4 Ų103.423%0.2351%0.513CS..  trans-72.6104.4-171-165.8148.5000112.6D133 K270 S272D133-L268 PolarHBondContact OD1-N 3Å; D133-L268 WeakPolarHBondContact OD2-CB 3.43Å; D133-L268 PolarHBondContact OD2-N 3.16Å; D133-L268 VanDerWaalsContact OD2-N 3.16Å; L268-K270 PolarHBondContact O-N 3.13Å; L268-S272 WeakPolarHBondContact CD1-OG 3.41Å; L268-S272 WeakPolarHBondContact CD2-OG 3.33Å; L268-S272 WeakPolarHBondContact CG-OG 3.46Å
269K46.8Very low56.7Low187 Ų187102 Ų10281%0.81350%0.496SS*.  trans-59.3128.7166.8-69.7-177.4-179.7176.40109.2K267 K271 S272K267-K269 PolarHBondContact O-N 3.11Å; K267-K269 VanDerWaalsContact O-N 3.14Å; K269-K271 PolarHBondContact O-N 3.34Å; K269-S272 PolarHBondContact O-N 3.02Å
270K47.1Very low58Low213 Ų213100 Ų10093%0.92649%0.487SS*.THydrogen-bonded Turntrans-5412.8-169.6-67.6-172.5174.2-177.20118.7L268L268-K270 PolarHBondContact O-N 3.13Å
271K40.9Very low59.3Low210 Ų21095 Ų9591%0.91346%0.461SS*.THydrogen-bonded Turntrans-119.85.6179.5-65.9-172.4176.4-176.90114.7K269K269-K271 PolarHBondContact O-N 3.34Å
272S42Very low60.6Low48 Ų4891.1 Ų91.134%0.33644%0.441SS..SBendtrans-75.8166.5178.799.20000112.5L268 K269 K274L268-S272 WeakPolarHBondContact CD1-OG 3.41Å; L268-S272 WeakPolarHBondContact CD2-OG 3.33Å; L268-S272 WeakPolarHBondContact CG-OG 3.46Å; K269-S272 PolarHBondContact O-N 3.02Å; S272-K274 PolarHBondContact O-N 3.31Å
273P46.7Very low62Low97 Ų9789.4 Ų89.463%0.6343%0.431SS*.  trans-67.6128.9-175.926.9-33.9000112.7K275 V276P273-K275 PolarHBondContact O-N 3.39Å; P273-V276 HydrophobicContact CG-CG2 4.44Å
274K54.4Low63.5Low176 Ų17680.4 Ų80.477%0.76540%0.401SS*.THydrogen-bonded Turntrans-67.822.6-164.4-55.4-176.9176.8-176.40117.4T135 S272T135-K274 PolarHBondContact OG1-O 3.07Å; S272-K274 PolarHBondContact O-N 3.31Å
275K56Low65.1Low138 Ų13877.6 Ų77.660%0.638%0.383SS*.THydrogen-bonded Turntrans-136.3-2.9-170.8-70.8-169.7176-1750116.2P273P273-K275 PolarHBondContact O-N 3.39Å
276V71Confident66.4Low35 Ų3578.1 Ų78.121%0.21238%0.38CS..  trans-107126.7-171.5-172.10000111P273 K280 R281P273-V276 HydrophobicContact CG-CG2 4.44Å; V276-K280 HydrophobicContact CG1-CB 3.96Å; V276-K280 HydrophobicContact CG1-CD 3.95Å; V276-K280 HydrophobicContact CG1-CG 3.8Å; V276-R281 HydrophobicContact CG1-CG 4.03Å
277S81.3Confident68Low0 Ų075 Ų750%036%0.364CS..  trans-73163.1178.466.90000113.6D134 V158 L279 K280 R281D134-S277 WeakPolarHBondContact OD1-CA 3.33Å; D134-S277 WeakPolarHBondContact OD2-CB 3.19Å; V158-S277 PolarHBondContact O-OG 3.22Å; S277-L279 VanDerWaalsContact C-N 3.3Å; S277-K280 PolarHBondContact O-N 3.17Å; S277-K280 WeakPolarHBondContact OG-CB 3.4Å; S277-K280 PolarHBondContact OG-N 3.23Å; S277-R281 WeakPolarHBondContact O-CG 3.48Å; S277-R281 PolarHBondContact O-N 3.21Å; S277-R281 PolarHBondContact O-NE 2.92Å
278A79Confident69.7Low31 Ų3174.2 Ų74.226%0.25636%0.36SS..Hα-helixtrans-58-42.9167.700000111.4D134 R281 D282D134-A278 PolarHBondContact OD1-N 2.78Å; A278-R281 WeakPolarHBondContact O-CB 3.48Å; A278-R281 PolarHBondContact O-N 2.8Å; A278-D282 PolarHBondContact O-N 3.37Å
279L82.9Confident71.9Confident13 Ų1372.7 Ų72.77%0.06835%0.353CS..Hα-helixtrans-64.8-40.3179.7179.556.8000112.6K156 V158 I180 F259 L261 S277 D282 L283K156-L279 HydrophobicContact CB-CD2 3.84Å; V158-L279 HydrophobicContact CB-CD2 4.27Å; V158-L279 HydrophobicContact CB-CG 4.42Å; V158-L279 HydrophobicContact CG1-CG 4.33Å; V158-L279 HydrophobicContact CG2-CD2 3.59Å; V158-L279 HydrophobicContact CG2-CG 3.96Å; I180-L279 HydrophobicContact CD1-CD1 4.41Å; I180-L279 HydrophobicContact CD1-CD2 3.88Å; I180-L279 HydrophobicContact CG1-CD2 3.74Å; F259-L279 HydrophobicContact CD1-CD1 4.29Å; F259-L279 HydrophobicContact CE1-CD1 3.36Å; F259-L279 HydrophobicContact CZ-CD1 3.55Å; L261-L279 HydrophobicContact CD1-CD1 3.78Å; S277-L279 VanDerWaalsContact C-N 3.3Å; L279-D282 PolarHBondContact O-N 2.88Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 3.28Å; L279-L283 VanDerWaalsContact O-N 3.08Å
280K86.4Confident73.8Confident5 Ų567.5 Ų67.52%0.02233%0.332CS..Hα-helixtrans-67.5-40.3172.1174.2163.316945.80111.9V158 N159 E237 L241 V276 S277 D282 L283 D284V158-K280 HydrophobicContact CG1-CB 4.1Å; N159-K280 HydrophobicContact CB-CD 3.95Å; N159-K280 WeakPolarHBondContact ND2-CD 3.36Å; E237-K280 WeakPolarHBondContact OE1-CE 3.22Å; E237-K280 IonicContact OE1-NZ 2.8Å; L241-K280 HydrophobicContact CD2-CD 3.92Å; V276-K280 HydrophobicContact CG1-CB 3.96Å; V276-K280 HydrophobicContact CG1-CD 3.95Å; V276-K280 HydrophobicContact CG1-CG 3.8Å; S277-K280 PolarHBondContact O-N 3.17Å; S277-K280 WeakPolarHBondContact OG-CB 3.4Å; S277-K280 PolarHBondContact OG-N 3.23Å; K280-D282 VanDerWaalsContact C-N 3.27Å; K280-D282 PolarHBondContact O-N 2.91Å; K280-L283 PolarHBondContact O-N 3.06Å; K280-D284 IonicContact NZ-OD1 2.84Å; K280-D284 PolarHBondContact NZ-OD1 3Å; K280-D284 IonicContact NZ-OD2 3.98Å; K280-D284 PolarHBondContact NZ-OD2 2.84Å; K280-D284 WeakPolarHBondContact O-CB 3.43Å; K280-D284 VanDerWaalsContact O-CG 3.24Å; K280-D284 PolarHBondContact O-N 2.95Å
281R84Confident75.7Confident61 Ų6166.8 Ų66.823%0.2332%0.323CS..Hα-helixtrans-59.2-39.5175.6-77.7179.2-75.1145.1-12.3112D133 D134 V276 S277 A278 A285D133-R281 PolarHBondContact O-NH2 3.31Å; D133-R281 IonicContact OD2-CZ 3.23Å; D133-R281 IonicContact OD2-NH1 2.82Å; D133-R281 PolarHBondContact OD2-NH1 3.44Å; D133-R281 IonicContact OD2-NH2 2.84Å; D133-R281 PolarHBondContact OD2-NH2 3.37Å; D134-R281 IonicContact OD1-NH2 2.73Å; V276-R281 HydrophobicContact CG1-CG 4.03Å; S277-R281 WeakPolarHBondContact O-CG 3.48Å; S277-R281 PolarHBondContact O-N 3.21Å; S277-R281 PolarHBondContact O-NE 2.92Å; A278-R281 WeakPolarHBondContact O-CB 3.48Å; A278-R281 PolarHBondContact O-N 2.8Å; R281-A285 VanDerWaalsContact O-CB 3.29Å; R281-A285 WeakPolarHBondContact O-CB 3.39Å; R281-A285 PolarHBondContact O-N 3.35Å
282D83.5Confident78.1Confident3 Ų357 Ų572%0.01628%0.281CS..Hα-helixtrans-63.8-53.7175.4-176.51.6000111.8L261 D262 L265 A278 L279 K280 D284 A285 R286L261-D282 HydrophobicContact CD1-CB 4.35Å; L261-D282 VanDerWaalsContact CD1-OD2 3.32Å; L261-D282 WeakPolarHBondContact CD1-OD2 3.41Å; D262-D282 WeakPolarHBondContact CB-OD1 3.34Å; D262-D282 PolarHBondContact N-OD2 3.04Å; L265-D282 VanDerWaalsContact CD1-CA 3.42Å; L265-D282 HydrophobicContact CD1-CB 3.59Å; A278-D282 PolarHBondContact O-N 3.37Å; L279-D282 PolarHBondContact O-N 2.88Å; K280-D282 VanDerWaalsContact C-N 3.27Å; K280-D282 PolarHBondContact O-N 2.91Å; D282-D284 VanDerWaalsContact C-N 3.33Å; D282-D284 PolarHBondContact O-N 3.47Å; D282-A285 WeakPolarHBondContact O-CA 3.49Å; D282-A285 WeakPolarHBondContact O-CB 3.29Å; D282-A285 PolarHBondContact O-N 3.08Å; D282-R286 VanDerWaalsContact CG-NH2 3.31Å; D282-R286 WeakPolarHBondContact O-CG 3.41Å; D282-R286 PolarHBondContact O-N 3.34Å; D282-R286 IonicContact OD1-CZ 2.76Å; D282-R286 IonicContact OD1-NE 3.14Å; D282-R286 PolarHBondContact OD1-NE 3.21Å; D282-R286 IonicContact OD1-NH2 3.47Å; D282-R286 PolarHBondContact OD1-NH2 2.82Å; D282-R286 IonicContact OD2-CZ 3.78Å; D282-R286 IonicContact OD2-NE 3.28Å; D282-R286 IonicContact OD2-NH2 3.81Å; D282-R286 PolarHBondContact OD2-NH2 3.23Å
283L85.9Confident80.5Confident1 Ų157.4 Ų57.41%0.00528%0.275CS..Hα-helixtrans-56.9-44.4175.7-69.7170.1000112.5V158 L241 Q244 L245 I248 F259 L279 K280 A285 R286 A287V158-L283 HydrophobicContact CG1-CD1 3.58Å; V158-L283 HydrophobicContact CG2-CD1 4.24Å; L241-L283 HydrophobicContact CD1-CD1 4.16Å; Q244-L283 PolarHBondContact NE2-O 3.18Å; Q244-L283 PolarHBondContact OE1-O 2.96Å; L245-L283 HydrophobicContact CD2-CD1 3.87Å; I248-L283 HydrophobicContact CD1-CD2 3.49Å; I248-L283 VanDerWaalsContact CD1-CD2 3.49Å; F259-L283 HydrophobicContact CE2-CD2 3.88Å; F259-L283 HydrophobicContact CZ-CD2 4.27Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 3.28Å; L279-L283 VanDerWaalsContact O-N 3.08Å; K280-L283 PolarHBondContact O-N 3.06Å; L283-A285 VanDerWaalsContact C-N 3.27Å; L283-A285 PolarHBondContact O-N 3.31Å; L283-R286 PolarHBondContact O-N 3.04Å; L283-A287 WeakPolarHBondContact O-CB 3.34Å; L283-A287 PolarHBondContact O-N 2.97Å
284D86.8Confident82.5Confident47 Ų4756.2 Ų56.225%0.25127%0.273SS..Hα-helixtrans-63.1-29.9175.2-72.8-23.4000112.7K280 D282 K288K280-D284 IonicContact NZ-OD1 2.84Å; K280-D284 PolarHBondContact NZ-OD1 3Å; K280-D284 IonicContact NZ-OD2 3.98Å; K280-D284 PolarHBondContact NZ-OD2 2.84Å; K280-D284 WeakPolarHBondContact O-CB 3.43Å; K280-D284 VanDerWaalsContact O-CG 3.24Å; K280-D284 PolarHBondContact O-N 2.95Å; D282-D284 VanDerWaalsContact C-N 3.33Å; D282-D284 PolarHBondContact O-N 3.47Å; D284-K288 WeakPolarHBondContact O-CD 3.33Å; D284-K288 VanDerWaalsContact O-CE 3.3Å; D284-K288 WeakPolarHBondContact O-CE 3.39Å; D284-K288 WeakPolarHBondContact O-CG 3.47Å; D284-K288 PolarHBondContact O-N 3.43Å
285A85.8Confident84.1Confident24 Ų2452 Ų5220%0.19826%0.259CS..Hα-helixtrans-80.5-38.7177.600000112.2L265 R281 D282 L283 K288 S289L265-A285 HydrophobicContact CD1-CB 4.31Å; L265-A285 HydrophobicContact CD2-CB 3.87Å; R281-A285 VanDerWaalsContact O-CB 3.29Å; R281-A285 WeakPolarHBondContact O-CB 3.39Å; R281-A285 PolarHBondContact O-N 3.35Å; D282-A285 WeakPolarHBondContact O-CA 3.49Å; D282-A285 WeakPolarHBondContact O-CB 3.29Å; D282-A285 PolarHBondContact O-N 3.08Å; L283-A285 VanDerWaalsContact C-N 3.27Å; L283-A285 PolarHBondContact O-N 3.31Å; A285-K288 PolarHBondContact O-N 2.92Å; A285-S289 WeakPolarHBondContact O-CB 3.46Å; A285-S289 PolarHBondContact O-N 3.35Å; A285-S289 PolarHBondContact O-OG 3.34Å
286R84.3Confident85.8Confident73 Ų7345.8 Ų45.828%0.27523%0.231SC..Hα-helixtrans-61.3-49.4171.9-68.7-176.9-158.9-157.26.2111.4E260 D282 L283 K288 S289 E290E260-R286 VanDerWaalsContact O-CZ 3.3Å; E260-R286 PolarHBondContact O-NH1 2.83Å; E260-R286 PolarHBondContact O-NH2 3.32Å; D282-R286 VanDerWaalsContact CG-NH2 3.31Å; D282-R286 WeakPolarHBondContact O-CG 3.41Å; D282-R286 PolarHBondContact O-N 3.34Å; D282-R286 IonicContact OD1-CZ 2.76Å; D282-R286 IonicContact OD1-NE 3.14Å; D282-R286 PolarHBondContact OD1-NE 3.21Å; D282-R286 IonicContact OD1-NH2 3.47Å; D282-R286 PolarHBondContact OD1-NH2 2.82Å; D282-R286 IonicContact OD2-CZ 3.78Å; D282-R286 IonicContact OD2-NE 3.28Å; D282-R286 IonicContact OD2-NH2 3.81Å; D282-R286 PolarHBondContact OD2-NH2 3.23Å; L283-R286 PolarHBondContact O-N 3.04Å; R286-K288 VanDerWaalsContact C-N 3.28Å; R286-K288 PolarHBondContact O-N 3.1Å; R286-S289 CarbonylContact O-C 3.56Å; R286-S289 WeakPolarHBondContact O-CA 3.26Å; R286-S289 PolarHBondContact O-N 3.08Å; R286-E290 PolarHBondContact O-N 2.87Å
287A85.4Confident86.7Confident39 Ų3946.2 Ų46.232%0.32223%0.229SC..Hα-helixtrans-60.1-37.4179.500000112.4L283 R291L283-A287 WeakPolarHBondContact O-CB 3.34Å; L283-A287 PolarHBondContact O-N 2.97Å; A287-R291 WeakPolarHBondContact O-CB 3.42Å; A287-R291 PolarHBondContact O-N 3.28Å
288K88.6Confident87.2Confident114 Ų11446.3 Ų46.350%0.49623%0.23SC..Hα-helixtrans-66.1-41.6172.4-71.2163.6-164.11560111.9D284 A285 R286 R291 Y292 L304D284-K288 WeakPolarHBondContact O-CD 3.33Å; D284-K288 VanDerWaalsContact O-CE 3.3Å; D284-K288 WeakPolarHBondContact O-CE 3.39Å; D284-K288 WeakPolarHBondContact O-CG 3.47Å; D284-K288 PolarHBondContact O-N 3.43Å; A285-K288 PolarHBondContact O-N 2.92Å; R286-K288 VanDerWaalsContact C-N 3.28Å; R286-K288 PolarHBondContact O-N 3.1Å; K288-R291 PolarHBondContact O-N 3.17Å; K288-Y292 VanDerWaalsContact O-CB 3.24Å; K288-Y292 WeakPolarHBondContact O-CB 3.1Å; K288-Y292 PolarHBondContact O-N 3.31Å; K288-L304 HydrophobicContact CB-CD2 4.36Å
289S90.4Very high87.6Confident11 Ų1145.1 Ų45.18%0.07722%0.219CC..Hα-helixtrans-73.7-32.3179.6-58.10000113.1A285 R286 R293 L304A285-S289 WeakPolarHBondContact O-CB 3.46Å; A285-S289 PolarHBondContact O-N 3.35Å; A285-S289 PolarHBondContact O-OG 3.34Å; R286-S289 CarbonylContact O-C 3.56Å; R286-S289 WeakPolarHBondContact O-CA 3.26Å; R286-S289 PolarHBondContact O-N 3.08Å; S289-R293 WeakPolarHBondContact O-CB 3.39Å; S289-R293 WeakPolarHBondContact O-CG 3.46Å; S289-R293 PolarHBondContact O-N 2.86Å; S289-R293 PolarHBondContact O-NE 3.15Å; S289-L304 PolarHBondContact OG-N 2.76Å; S289-L304 VanDerWaalsContact OG-N 3.16Å
290E86.8Confident87.5Confident79 Ų7949.5 Ų49.537%0.36924%0.238SC..Hα-helixtrans-61.3-53.1166.7-76.3-179.8135.700110.4R251 R286 Y292 R293 A294R251-E290 IonicContact NH1-OE1 2.67Å; R251-E290 PolarHBondContact NH1-OE1 2.99Å; R286-E290 PolarHBondContact O-N 2.87Å; E290-Y292 VanDerWaalsContact C-N 3.3Å; E290-Y292 PolarHBondContact O-N 2.97Å; E290-R293 PolarHBondContact O-N 3.18Å; E290-A294 WeakPolarHBondContact O-CB 3.32Å; E290-A294 PolarHBondContact O-N 3.22Å
291R87.2Confident87.5Confident197 Ų19754.5 Ų54.574%0.74327%0.265SS*.Hα-helixtrans-60.8-38.3178.2-170.6178.4-177.3-157.4-0.6112.7A287 K288 L295A287-R291 WeakPolarHBondContact O-CB 3.42Å; A287-R291 PolarHBondContact O-N 3.28Å; K288-R291 PolarHBondContact O-N 3.17Å; R291-L295 VanDerWaalsContact O-CB 3.29Å; R291-L295 WeakPolarHBondContact O-CB 3.43Å; R291-L295 PolarHBondContact O-N 3.18Å
292Y92.3Very high87.7Confident5 Ų551.8 Ų51.82%0.0226%0.255CS..Hα-helixtrans-64.3-51.1176.3173.3-119.5000112.1K288 E290 A294 L295 F296 L298 E302 L304 F326 S328 C333K288-Y292 VanDerWaalsContact O-CB 3.24Å; K288-Y292 WeakPolarHBondContact O-CB 3.1Å; K288-Y292 PolarHBondContact O-N 3.31Å; E290-Y292 VanDerWaalsContact C-N 3.3Å; E290-Y292 PolarHBondContact O-N 2.97Å; Y292-A294 VanDerWaalsContact C-N 3.32Å; Y292-A294 PolarHBondContact O-N 2.82Å; Y292-L295 PolarHBondContact O-N 3.44Å; Y292-F296 AromaticContact CD2-CD2 3.57Å; Y292-F296 HydrophobicContact CD2-CD2 3.57Å; Y292-F296 AromaticContact CD2-CE2 3.83Å; Y292-F296 HydrophobicContact CD2-CE2 3.83Å; Y292-F296 AromaticContact CE2-CD2 3.44Å; Y292-F296 HydrophobicContact CE2-CD2 3.44Å; Y292-F296 VanDerWaalsContact CE2-CD2 3.44Å; Y292-F296 AromaticContact CE2-CE2 3.75Å; Y292-F296 HydrophobicContact CE2-CE2 3.75Å; Y292-F296 HydrophobicContact CE2-CG 4.47Å; Y292-F296 PolarHBondContact O-N 3.2Å; Y292-L298 HydrophobicContact CD1-CD1 4.17Å; Y292-L298 HydrophobicContact CE1-CD1 3.44Å; Y292-L298 VanDerWaalsContact CE1-CD1 3.44Å; Y292-L298 HydrophobicContact CE2-CD1 4.02Å; Y292-L298 WeakPolarHBondContact OH-CD1 3.41Å; Y292-E302 HydrophobicContact CE1-CG 4.2Å; Y292-L304 HydrophobicContact CD1-CB 3.96Å; Y292-L304 HydrophobicContact CD1-CD1 3.98Å; Y292-L304 HydrophobicContact CD2-CD1 3.98Å; Y292-L304 HydrophobicContact CE1-CD1 4.13Å; Y292-L304 HydrophobicContact CE2-CD1 4.17Å; Y292-L304 HydrophobicContact CG-CB 4.25Å; Y292-L304 HydrophobicContact CG-CD1 3.9Å; Y292-L304 HydrophobicContact CG-CG 4.47Å; Y292-F326 HydrophobicContact CD2-CB 3.9Å; Y292-F326 AromaticContact CD2-CD1 3.92Å; Y292-F326 HydrophobicContact CD2-CD1 3.92Å; Y292-F326 AromaticContact CD2-CG 3.98Å; Y292-F326 HydrophobicContact CD2-CG 3.98Å; Y292-F326 HydrophobicContact CE2-CB 3.39Å; Y292-F326 HydrophobicContact CE2-CD1 4.31Å; Y292-F326 AromaticContact CE2-CG 3.92Å; Y292-F326 HydrophobicContact CE2-CG 3.92Å; Y292-S328 PolarHBondContact OH-OG 3.27Å; Y292-S328 VanDerWaalsContact OH-OG 3.06Å; Y292-C333 HydrophobicContact CE2-CB 4.08Å; Y292-C333 PolarHBondContact OH-SG 3.12Å
293R91.9Very high88Confident57 Ų5756 Ų5622%0.21527%0.273CS..Hα-helixtrans-59.9-40.3175.7-76.6174.3-69.1157.64112.1S289 E290 R297 L298 P299 K300 E302S289-R293 WeakPolarHBondContact O-CB 3.39Å; S289-R293 WeakPolarHBondContact O-CG 3.46Å; S289-R293 PolarHBondContact O-N 2.86Å; S289-R293 PolarHBondContact O-NE 3.15Å; E290-R293 PolarHBondContact O-N 3.18Å; R293-R297 CarbonylContact O-C 3.6Å; R293-R297 WeakPolarHBondContact O-CA 3.33Å; R293-R297 PolarHBondContact O-N 2.93Å; R293-L298 HydrophobicContact CG-CB 4.23Å; R293-L298 PolarHBondContact O-N 3.43Å; R293-P299 WeakPolarHBondContact CD-O 3.38Å; R293-P299 WeakPolarHBondContact CG-O 3.24Å; R293-K300 PolarHBondContact NH1-O 2.93Å; R293-E302 VanDerWaalsContact CD-O 3.23Å; R293-E302 WeakPolarHBondContact CD-O 3.45Å; R293-E302 HydrophobicContact CG-CB 4.19Å
294A87.9Confident88.3Confident72 Ų7257.4 Ų57.460%0.59528%0.28SS*.Hα-helixtrans-65.7-44.9177.400000112.6E290 Y292 F296E290-A294 WeakPolarHBondContact O-CB 3.32Å; E290-A294 PolarHBondContact O-N 3.22Å; Y292-A294 VanDerWaalsContact C-N 3.32Å; Y292-A294 PolarHBondContact O-N 2.82Å; A294-F296 PolarHBondContact O-N 2.89Å
295L89.4Confident88.4Confident88 Ų8858.5 Ų58.546%0.46129%0.286SS..Hα-helixtrans-62.9-39.2-178.3178.461.1000113.1R291 Y292 T335R291-L295 VanDerWaalsContact O-CB 3.29Å; R291-L295 WeakPolarHBondContact O-CB 3.43Å; R291-L295 PolarHBondContact O-N 3.18Å; Y292-L295 PolarHBondContact O-N 3.44Å; L295-T335 HydrophobicContact CD2-CG2 4.38Å
296F91.8Very high88.6Confident6 Ų658.6 Ų58.63%0.02629%0.29CS..Hα-helixtrans-107.44.5-177.2-63.7-70.8000114Y292 A294 L298 F326 C333 F334 I345Y292-F296 AromaticContact CD2-CD2 3.57Å; Y292-F296 HydrophobicContact CD2-CD2 3.57Å; Y292-F296 AromaticContact CD2-CE2 3.83Å; Y292-F296 HydrophobicContact CD2-CE2 3.83Å; Y292-F296 AromaticContact CE2-CD2 3.44Å; Y292-F296 HydrophobicContact CE2-CD2 3.44Å; Y292-F296 VanDerWaalsContact CE2-CD2 3.44Å; Y292-F296 AromaticContact CE2-CE2 3.75Å; Y292-F296 HydrophobicContact CE2-CE2 3.75Å; Y292-F296 HydrophobicContact CE2-CG 4.47Å; Y292-F296 PolarHBondContact O-N 3.2Å; A294-F296 PolarHBondContact O-N 2.89Å; F296-L298 VanDerWaalsContact C-N 3.35Å; F296-L298 HydrophobicContact CB-CD1 3.98Å; F296-L298 HydrophobicContact CB-CD2 4.2Å; F296-L298 HydrophobicContact CB-CG 3.77Å; F296-L298 PolarHBondContact O-N 2.68Å; F296-F326 AromaticContact CE2-CD2 3.64Å; F296-F326 HydrophobicContact CE2-CD2 3.64Å; F296-F326 AromaticContact CE2-CE2 4Å; F296-F326 HydrophobicContact CE2-CE2 4Å; F296-F326 HydrophobicContact CE2-CG 4.07Å; F296-F326 AromaticContact CZ-CD2 3.83Å; F296-F326 HydrophobicContact CZ-CD2 3.83Å; F296-F326 HydrophobicContact CZ-CE2 4.05Å; F296-C333 HydrophobicContact CD1-CB 3.72Å; F296-C333 HydrophobicContact CD2-CB 3.7Å; F296-C333 HydrophobicContact CE1-CB 3.67Å; F296-C333 HydrophobicContact CE2-CB 3.62Å; F296-C333 HydrophobicContact CG-CB 3.74Å; F296-C333 HydrophobicContact CZ-CB 3.61Å; F296-F334 WeakPolarHBondContact CE1-O 3.34Å; F296-I345 HydrophobicContact CB-CD1 4.06Å; F296-I345 HydrophobicContact CB-CG1 4.21Å; F296-I345 HydrophobicContact CD1-CD1 4.33Å; F296-I345 HydrophobicContact CD1-CG1 3.87Å; F296-I345 HydrophobicContact CG-CG1 4.42Å; F296-I345 WeakPolarHBondContact O-CD1 3.49Å
297R90Very high89Confident44 Ų4460.1 Ų60.117%0.16630%0.299CS..THydrogen-bonded Turntrans48.949.7-175.3-61-178.1-172.8145.44.2113.7R293 F523 R624 F694 Y695R293-R297 CarbonylContact O-C 3.6Å; R293-R297 WeakPolarHBondContact O-CA 3.33Å; R293-R297 PolarHBondContact O-N 2.93Å; R297-F523 WeakPolarHBondContact CD-O 3.5Å; R297-F523 PolarHBondContact NH1-O 3.45Å; R297-R624 PolarHBondContact O-NE 3.24Å; R297-R624 PolarHBondContact O-NH1 3.26Å; R297-F694 PolarHBondContact NH1-O 2.8Å; R297-Y695 VanDerWaalsContact CZ-O 3.27Å; R297-Y695 PolarHBondContact NH1-O 3.13Å; R297-Y695 PolarHBondContact NH2-O 3.15Å
298L90.9Very high89.3Confident3 Ų359.5 Ų59.52%0.01629%0.292CS..  trans-85.1165.9-178.7-59176.3000112.1Y292 R293 F296 E302 Y331 I345 R624Y292-L298 HydrophobicContact CD1-CD1 4.17Å; Y292-L298 HydrophobicContact CE1-CD1 3.44Å; Y292-L298 VanDerWaalsContact CE1-CD1 3.44Å; Y292-L298 HydrophobicContact CE2-CD1 4.02Å; Y292-L298 WeakPolarHBondContact OH-CD1 3.41Å; R293-L298 HydrophobicContact CG-CB 4.23Å; R293-L298 PolarHBondContact O-N 3.43Å; F296-L298 VanDerWaalsContact C-N 3.35Å; F296-L298 HydrophobicContact CB-CD1 3.98Å; F296-L298 HydrophobicContact CB-CD2 4.2Å; F296-L298 HydrophobicContact CB-CG 3.77Å; F296-L298 PolarHBondContact O-N 2.68Å; L298-E302 HydrophobicContact CB-CB 4.39Å; L298-E302 HydrophobicContact CD1-CG 4.32Å; L298-Y331 HydrophobicContact CD1-CD2 4.19Å; L298-Y331 HydrophobicContact CD1-CG 4.33Å; L298-Y331 HydrophobicContact CD2-CD1 3.82Å; L298-Y331 HydrophobicContact CD2-CD2 4Å; L298-Y331 HydrophobicContact CD2-CE1 3.96Å; L298-Y331 HydrophobicContact CD2-CE2 4.15Å; L298-Y331 HydrophobicContact CD2-CG 3.87Å; L298-I345 HydrophobicContact CD2-CG2 4.2Å; L298-R624 VanDerWaalsContact O-CD 3.31Å; L298-R624 WeakPolarHBondContact O-CD 3.42Å; L298-R624 PolarHBondContact O-NH1 2.97Å; L298-R624 VanDerWaalsContact O-NH1 3.16Å
299P87.6Confident89.6Confident5 Ų556.2 Ų56.23%0.03228%0.28CS..  trans-59.3159.2177.1-2637.5000113.7R293 D301 E302 Y331 E529R293-P299 WeakPolarHBondContact CD-O 3.38Å; R293-P299 WeakPolarHBondContact CG-O 3.24Å; P299-D301 VanDerWaalsContact C-N 3.31Å; P299-D301 WeakPolarHBondContact CB-OD1 3.5Å; P299-D301 PolarHBondContact O-N 3.25Å; P299-E302 PolarHBondContact O-N 3.14Å; P299-Y331 HydrophobicContact CG-CE2 4.39Å; P299-E529 HydrophobicContact CB-CG 4.08Å; P299-E529 HydrophobicContact CG-CG 3.82Å
300K81.5Confident89.8Confident106 Ų10655.7 Ų55.746%0.46128%0.276SS..THydrogen-bonded Turntrans-65.1-30.3-175.7-83.2-177.1173.6173.50113.9R293 E302 E623R293-K300 PolarHBondContact NH1-O 2.93Å; K300-E302 VanDerWaalsContact C-N 3.34Å; K300-E623 WeakPolarHBondContact CE-O 3.39Å; K300-E623 PolarHBondContact NZ-O 2.96Å; K300-E623 IonicContact NZ-OE2 3.19Å; K300-E623 PolarHBondContact NZ-OE2 3Å
301D84.5Confident90.1Very high110 Ų11053.1 Ų53.159%0.58827%0.266SS*.THydrogen-bonded Turntrans-77.5-15.1-178.955.7-56.6000113.9P299 K303P299-D301 VanDerWaalsContact C-N 3.31Å; P299-D301 WeakPolarHBondContact CB-OD1 3.5Å; P299-D301 PolarHBondContact O-N 3.25Å; D301-K303 PolarHBondContact O-N 3.35Å
302E89.1Confident90.5Very high3 Ų343.8 Ų43.81%0.01423%0.231CC..  trans-71.6122-172.7-163.666.4-167.400113.2Y292 R293 L298 P299 K300 S328 T329 N330 Y331Y292-E302 HydrophobicContact CE1-CG 4.2Å; R293-E302 VanDerWaalsContact CD-O 3.23Å; R293-E302 WeakPolarHBondContact CD-O 3.45Å; R293-E302 HydrophobicContact CG-CB 4.19Å; L298-E302 HydrophobicContact CB-CB 4.39Å; L298-E302 HydrophobicContact CD1-CG 4.32Å; P299-E302 PolarHBondContact O-N 3.14Å; K300-E302 VanDerWaalsContact C-N 3.34Å; E302-S328 WeakPolarHBondContact OE1-CB 3.46Å; E302-S328 PolarHBondContact OE1-OG 3.06Å; E302-T329 PolarHBondContact OE1-N 3.4Å; E302-T329 VanDerWaalsContact OE1-N 3.13Å; E302-N330 PolarHBondContact OE1-N 2.84Å; E302-N330 WeakPolarHBondContact OE2-CB 3.42Å; E302-N330 PolarHBondContact OE2-ND2 2.9Å; E302-Y331 HydrophobicContact CG-CD2 3.86Å; E302-Y331 HydrophobicContact CG-CE2 4.19Å; E302-Y331 WeakPolarHBondContact OE1-CD2 3.46Å
303K89.1Confident90.6Very high91 Ų9147.8 Ų47.840%0.39625%0.246SC..  trans-110.7137.5179.3-55.8-174.5-169.2-176.80111.5D262 S264 D301 D305 S328D262-K303 IonicContact OD1-NZ 2.65Å; D262-K303 PolarHBondContact OD1-NZ 3.03Å; D262-K303 IonicContact OD2-NZ 2.73Å; D262-K303 PolarHBondContact OD2-NZ 2.92Å; S264-K303 PolarHBondContact OG-NZ 2.83Å; S264-K303 VanDerWaalsContact OG-NZ 3.11Å; D301-K303 PolarHBondContact O-N 3.35Å; K303-D305 PolarHBondContact O-N 2.96Å; K303-S328 WeakPolarHBondContact O-CB 3.32Å
304L92.4Very high90.6Very high31 Ų3145.1 Ų45.116%0.16224%0.236CC..EExtended strand (participates in β ladder)trans-78.8116.2179.1-177.669.7000111.1K288 S289 Y292 G306 F326K288-L304 HydrophobicContact CB-CD2 4.36Å; S289-L304 PolarHBondContact OG-N 2.76Å; S289-L304 VanDerWaalsContact OG-N 3.16Å; Y292-L304 HydrophobicContact CD1-CB 3.96Å; Y292-L304 HydrophobicContact CD1-CD1 3.98Å; Y292-L304 HydrophobicContact CD2-CD1 3.98Å; Y292-L304 HydrophobicContact CE1-CD1 4.13Å; Y292-L304 HydrophobicContact CE2-CD1 4.17Å; Y292-L304 HydrophobicContact CG-CB 4.25Å; Y292-L304 HydrophobicContact CG-CD1 3.9Å; Y292-L304 HydrophobicContact CG-CG 4.47Å; L304-G306 WeakPolarHBondContact CD1-O 3.34Å; L304-F326 HydrophobicContact CD1-CB 3.9Å; L304-F326 HydrophobicContact CD1-CD1 3.95Å; L304-F326 HydrophobicContact CD1-CG 4.44Å; L304-F326 HydrophobicContact CD2-CD1 4.3Å
305D90Very high90.7Very high71 Ų7144.5 Ų44.538%0.3823%0.225SC..EExtended strand (participates in β ladder)trans-76.6-44.1172.4-179.477.7000110.6K303 V327 R391 F395K303-D305 PolarHBondContact O-N 2.96Å; D305-V327 PolarHBondContact N-O 2.96Å; D305-R391 IonicContact OD1-NH1 3.54Å; D305-R391 PolarHBondContact OD1-NH1 3.4Å; D305-R391 IonicContact OD2-NH1 3.73Å; D305-R391 PolarHBondContact OD2-NH1 3.06Å; D305-F395 HydrophobicContact CB-CE2 4.18Å; D305-F395 HydrophobicContact CB-CZ 3.86Å
306G89.3Confident90.6Very high26 Ų2642.3 Ų42.327%0.26821%0.213SC..EExtended strand (participates in β ladder)trans-168.2168.6-178.500000115.3L304 V327L304-G306 WeakPolarHBondContact CD1-O 3.34Å; G306-V327 PolarHBondContact N-O 2.98Å; G306-V327 PolarHBondContact O-N 2.93Å
307H92.1Very high90.5Very high104 Ų10445.4 Ų45.448%0.48123%0.229SC..EExtended strand (participates in β ladder)trans-142.1153.8172.162.8-86000110.7Q324 M325 F326H307-Q324 HydrophobicContact CB-CG 4.35Å; H307-M325 CarbonylContact C-O 3.55Å; H307-M325 WeakPolarHBondContact CA-O 3.4Å; H307-M325 WeakPolarHBondContact CB-O 3.47Å; H307-F326 HydrophobicContact CB-CD1 3.61Å; H307-F326 HydrophobicContact CB-CE1 3.86Å; H307-F326 HydrophobicContact CB-CG 4.2Å
308T92.9Very high90.6Very high27 Ų2750.4 Ų50.417%0.16625%0.252CS..EExtended strand (participates in β ladder)trans-144.8143.5176.1-177.30000111.1Q324 M325 L382 L388T308-Q324 WeakPolarHBondContact O-CA 3.49Å; T308-Q324 WeakPolarHBondContact O-CG 3.32Å; T308-M325 PolarHBondContact N-O 3.26Å; T308-M325 PolarHBondContact O-N 3.43Å; T308-L382 HydrophobicContact CG2-CD2 3.68Å; T308-L388 HydrophobicContact CG2-CD2 4.31Å
309D94.5Very high90.6Very high45 Ų4556 Ų5624%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-60.1140.8165.3-57.9-67.7000109.5Q324 K337 K383D309-Q324 PolarHBondContact OD1-NE2 3.23Å; D309-K337 IonicContact OD1-NZ 3.21Å; D309-K337 PolarHBondContact OD1-NZ 2.96Å; D309-K383 IonicContact OD2-NZ 2.96Å; D309-K383 PolarHBondContact OD2-NZ 3.06Å
310C93.9Very high90.7Very high0 Ų058.7 Ų58.70%029%0.292CS..EExtended strand (participates in β ladder)trans-158.5179.5176.969.80000111.1G323 F334 L382C310-G323 PolarHBondContact N-O 3.35Å; C310-G323 CarbonylContact O-C 3.59Å; C310-G323 PolarHBondContact O-N 3.29Å; C310-G323 VanDerWaalsContact O-O 3.12Å; C310-F334 VanDerWaalsContact SG-CE2 3.59Å; C310-L382 HydrophobicContact CB-CD2 3.57Å; C310-L382 HydrophobicContact CB-CG 4.39Å
311T94.3Very high91.3Very high25 Ų2554.4 Ų54.415%0.15327%0.274CS..EExtended strand (participates in β ladder)trans-119.8140164.9540000109.7I321 L322 F379 A380T311-I321 CarbonylContact C-O 3.17Å; T311-I321 VanDerWaalsContact CA-O 3.25Å; T311-I321 WeakPolarHBondContact CA-O 3.46Å; T311-L322 HydrophobicContact CG2-CD1 3.9Å; T311-F379 CarbonylContact O-C 3.57Å; T311-F379 VanDerWaalsContact O-CA 3.29Å; T311-F379 WeakPolarHBondContact O-CA 3.33Å; T311-A380 PolarHBondContact N-O 3.4Å; T311-A380 PolarHBondContact O-N 3.38Å; T311-A380 PolarHBondContact OG1-O 3.13Å; T311-A380 VanDerWaalsContact OG1-O 3.13Å
312L95.1Very high91.8Very high0 Ų053.4 Ų53.40%027%0.268CS..EExtended strand (participates in β ladder)trans-108.9128.5174.1173.258.8000109H320 I321 F334 L344 F377 F379 Y498L312-H320 CarbonylContact O-C 3.55Å; L312-H320 WeakPolarHBondContact O-CA 3.38Å; L312-I321 PolarHBondContact N-O 2.88Å; L312-I321 PolarHBondContact O-N 2.79Å; L312-F334 HydrophobicContact CB-CD1 4.18Å; L312-F334 HydrophobicContact CB-CD2 4.14Å; L312-F334 HydrophobicContact CB-CE1 3.82Å; L312-F334 HydrophobicContact CB-CE2 3.74Å; L312-F334 HydrophobicContact CB-CG 4.33Å; L312-F334 HydrophobicContact CB-CZ 3.57Å; L312-F334 HydrophobicContact CD2-CB 4.42Å; L312-F334 HydrophobicContact CD2-CD1 3.4Å; L312-F334 VanDerWaalsContact CD2-CD1 3.4Å; L312-F334 HydrophobicContact CD2-CD2 4.49Å; L312-F334 HydrophobicContact CD2-CE1 3.65Å; L312-F334 HydrophobicContact CD2-CG 3.87Å; L312-F334 HydrophobicContact CD2-CZ 4.28Å; L312-F334 HydrophobicContact CG-CD1 4.46Å; L312-F334 HydrophobicContact CG-CE1 4.38Å; L312-L344 HydrophobicContact CD1-CD2 4.49Å; L312-L344 HydrophobicContact CD2-CB 4.48Å; L312-L344 HydrophobicContact CD2-CD2 3.8Å; L312-F377 HydrophobicContact CD1-CB 4.43Å; L312-F379 HydrophobicContact CB-CD1 4.28Å; L312-F379 HydrophobicContact CB-CE1 4.18Å; L312-F379 HydrophobicContact CD1-CD1 4.13Å; L312-F379 HydrophobicContact CD1-CE1 3.82Å; L312-F379 HydrophobicContact CD1-CE2 4.28Å; L312-F379 HydrophobicContact CD1-CZ 3.91Å; L312-F379 HydrophobicContact CD2-CE1 4.41Å; L312-F379 HydrophobicContact CG-CE1 4.36Å; L312-Y498 HydrophobicContact CD2-CD1 4.45Å; L312-Y498 HydrophobicContact CD2-CE1 4.04Å; L312-Y498 HydrophobicContact CG-CE1 4.42Å
313W93.9Very high92.1Very high90 Ų9053.2 Ų53.234%0.34127%0.267SS..EExtended strand (participates in β ladder)trans-72.6125.3168.7176.4-104.1000110.3K318 H320 L378W313-K318 HydrophobicContact CH2-CB 3.87Å; W313-K318 WeakPolarHBondContact CH2-O 3.45Å; W313-K318 HydrophobicContact CZ2-CB 4Å; W313-K318 HydrophobicContact CZ2-CG 4.46Å; W313-K318 VanDerWaalsContact CZ3-O 3.24Å; W313-K318 WeakPolarHBondContact CZ3-O 3.29Å; W313-H320 AromaticContact CE3-CD2 3.57Å; W313-H320 AromaticContact CE3-NE2 3.59Å; W313-L378 HydrophobicContact CB-CB 3.99Å; W313-L378 HydrophobicContact CB-CD2 4.34Å; W313-L378 HydrophobicContact CB-CG 4.36Å; W313-L378 PolarHBondContact N-O 2.63Å
314T92.2Very high92.4Very high0 Ų051.5 Ų51.50%026%0.26CS..EExtended strand (participates in β ladder)trans-108.612017536.30000110.8F316 N317 K318 M319 I321 Y498T314-F316 VanDerWaalsContact CB-CZ 3.48Å; T314-F316 HydrophobicContact CG2-CE1 3.7Å; T314-F316 HydrophobicContact CG2-CE2 4.29Å; T314-F316 HydrophobicContact CG2-CZ 3.45Å; T314-F316 VanDerWaalsContact CG2-CZ 3.45Å; T314-F316 PolarHBondContact O-N 3.21Å; T314-N317 WeakPolarHBondContact CB-OD1 3.28Å; T314-N317 PolarHBondContact O-OD1 2.86Å; T314-N317 VanDerWaalsContact OG1-CG 3.23Å; T314-N317 PolarHBondContact OG1-ND2 2.88Å; T314-N317 VanDerWaalsContact OG1-ND2 3.07Å; T314-N317 PolarHBondContact OG1-OD1 2.99Å; T314-K318 WeakPolarHBondContact O-CA 3.43Å; T314-K318 PolarHBondContact O-N 3.38Å; T314-M319 PolarHBondContact N-O 2.66Å; T314-M319 PolarHBondContact OG1-O 3.16Å; T314-I321 HydrophobicContact CG2-CD1 3.74Å; T314-I321 HydrophobicContact CG2-CG1 4.35Å; T314-I321 WeakPolarHBondContact OG1-CD1 3.26Å; T314-Y498 HydrophobicContact CG2-CD1 4.04Å; T314-Y498 HydrophobicContact CG2-CE1 3.99Å
315P89.6Confident92.5Very high59 Ų5950.1 Ų50.138%0.38325%0.253SS..THydrogen-bonded Turntrans-71.6-28.5-168.227.6-35.2000113.8K318 Y498P315-K318 WeakPolarHBondContact O-CG 3.4Å; P315-Y498 HydrophobicContact CG-CE2 3.94Å
316F88.6Confident92.8Very high43 Ų4347.7 Ų47.719%0.18924%0.239CC..THydrogen-bonded Turntrans-68.4-45.3-177.946.6-94.1000112.8T314 E490 Y491 Y498 T500T314-F316 VanDerWaalsContact CB-CZ 3.48Å; T314-F316 HydrophobicContact CG2-CE1 3.7Å; T314-F316 HydrophobicContact CG2-CE2 4.29Å; T314-F316 HydrophobicContact CG2-CZ 3.45Å; T314-F316 VanDerWaalsContact CG2-CZ 3.45Å; T314-F316 PolarHBondContact O-N 3.21Å; F316-E490 HydrophobicContact CB-CG 3.68Å; F316-Y491 HydrophobicContact CB-CE1 4.21Å; F316-Y491 AromaticContact CD1-CD1 3.67Å; F316-Y491 HydrophobicContact CD1-CD1 3.67Å; F316-Y491 AromaticContact CD1-CE1 3.68Å; F316-Y491 HydrophobicContact CD1-CE1 3.68Å; F316-Y491 HydrophobicContact CD1-CG 4.44Å; F316-Y491 HydrophobicContact CD2-CD1 4.34Å; F316-Y491 AromaticContact CD2-CE1 3.51Å; F316-Y491 HydrophobicContact CD2-CE1 3.51Å; F316-Y491 AromaticContact CD2-CZ 3.98Å; F316-Y491 AromaticContact CE1-CD1 3.68Å; F316-Y491 HydrophobicContact CE1-CD1 3.68Å; F316-Y491 AromaticContact CE1-CE1 3.82Å; F316-Y491 HydrophobicContact CE1-CE1 3.82Å; F316-Y491 HydrophobicContact CE2-CD1 4.35Å; F316-Y491 AromaticContact CE2-CE1 3.66Å; F316-Y491 HydrophobicContact CE2-CE1 3.66Å; F316-Y491 HydrophobicContact CG-CD1 4.02Å; F316-Y491 AromaticContact CG-CE1 3.53Å; F316-Y491 HydrophobicContact CG-CE1 3.53Å; F316-Y491 AromaticContact CG-CZ 3.94Å; F316-Y491 HydrophobicContact CZ-CD1 4.02Å; F316-Y491 AromaticContact CZ-CE1 3.81Å; F316-Y491 HydrophobicContact CZ-CE1 3.81Å; F316-Y498 HydrophobicContact CE1-CD1 4.2Å; F316-Y498 HydrophobicContact CE1-CD2 4.08Å; F316-Y498 AromaticContact CE1-CG 3.81Å; F316-Y498 HydrophobicContact CE1-CG 3.81Å; F316-T500 HydrophobicContact CE2-CG2 4.39Å; F316-T500 HydrophobicContact CZ-CG2 3.92Å
317N89.1Confident93Very high70 Ų7046.7 Ų46.737%0.37423%0.228SC..THydrogen-bonded Turntrans-92.6-12.6176.666.517000113.8T314 M319T314-N317 WeakPolarHBondContact CB-OD1 3.28Å; T314-N317 PolarHBondContact O-OD1 2.86Å; T314-N317 VanDerWaalsContact OG1-CG 3.23Å; T314-N317 PolarHBondContact OG1-ND2 2.88Å; T314-N317 VanDerWaalsContact OG1-ND2 3.07Å; T314-N317 PolarHBondContact OG1-OD1 2.99Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 3.39Å; N317-M319 PolarHBondContact OD1-N 2.93Å
318K91.3Very high93.1Very high149 Ų14941.7 Ų41.765%0.64821%0.205SC*.THydrogen-bonded Turntrans57.940.6-177.9-56174.5-175.6171.30113.3W313 T314 P315W313-K318 HydrophobicContact CH2-CB 3.87Å; W313-K318 WeakPolarHBondContact CH2-O 3.45Å; W313-K318 HydrophobicContact CZ2-CB 4Å; W313-K318 HydrophobicContact CZ2-CG 4.46Å; W313-K318 VanDerWaalsContact CZ3-O 3.24Å; W313-K318 WeakPolarHBondContact CZ3-O 3.29Å; T314-K318 WeakPolarHBondContact O-CA 3.43Å; T314-K318 PolarHBondContact O-N 3.38Å; P315-K318 WeakPolarHBondContact O-CG 3.4Å
319M91.7Very high92.9Very high122 Ų12243 Ų4360%0.60121%0.213SC*.EExtended strand (participates in β ladder)trans-131.6161-179.8-67.6-65.6-72.900111.6T314 N317T314-M319 PolarHBondContact N-O 2.66Å; T314-M319 PolarHBondContact OG1-O 3.16Å; N317-M319 VanDerWaalsContact C-N 3.33Å; N317-M319 PolarHBondContact O-N 3.39Å; N317-M319 PolarHBondContact OD1-N 2.93Å
320H90.8Very high92.7Very high60 Ų6043.1 Ų43.128%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-90.8117.4167.3-84.4-82.4000110.4L312 W313 L363L312-H320 CarbonylContact O-C 3.55Å; L312-H320 WeakPolarHBondContact O-CA 3.38Å; W313-H320 AromaticContact CE3-CD2 3.57Å; W313-H320 AromaticContact CE3-NE2 3.59Å; H320-L363 VanDerWaalsContact NE2-CD2 3.35Å; H320-L363 WeakPolarHBondContact NE2-CD2 3.36Å
321I93.7Very high92.7Very high17 Ų1743.3 Ų43.39%0.08721%0.214CC..EExtended strand (participates in β ladder)trans-88.1128173.7-59.8-178.8000109.1T311 L312 T314 F334 L341 C342T311-I321 CarbonylContact C-O 3.17Å; T311-I321 VanDerWaalsContact CA-O 3.25Å; T311-I321 WeakPolarHBondContact CA-O 3.46Å; L312-I321 PolarHBondContact N-O 2.88Å; L312-I321 PolarHBondContact O-N 2.79Å; T314-I321 HydrophobicContact CG2-CD1 3.74Å; T314-I321 HydrophobicContact CG2-CG1 4.35Å; T314-I321 WeakPolarHBondContact OG1-CD1 3.26Å; I321-F334 HydrophobicContact CG2-CZ 4.49Å; I321-L341 HydrophobicContact CG2-CD1 4.4Å; I321-C342 HydrophobicContact CD1-CB 3.67Å
322L94.4Very high92.8Very high88 Ų8842.1 Ų42.146%0.46121%0.207SC..EExtended strand (participates in β ladder)trans-76.2130.4175.1-176.366.2000110.5T311 K337T311-L322 HydrophobicContact CG2-CD1 3.9Å; L322-K337 HydrophobicContact CD2-CD 4.01Å; L322-K337 HydrophobicContact CG-CD 3.94Å; L322-K337 HydrophobicContact CG-CG 4.24Å; L322-K337 PolarHBondContact O-N 2.72Å
323G94.9Very high92.9Very high0 Ų042.2 Ų42.20%021%0.207CC..EExtended strand (participates in β ladder)trans-161-155.7-174.400000113.5C310 T335 K337C310-G323 PolarHBondContact N-O 3.35Å; C310-G323 CarbonylContact O-C 3.59Å; C310-G323 PolarHBondContact O-N 3.29Å; C310-G323 VanDerWaalsContact O-O 3.12Å; G323-T335 CarbonylContact C-O 3.55Å; G323-T335 WeakPolarHBondContact CA-O 3.39Å; G323-K337 WeakPolarHBondContact O-CE 3.09Å
324Q95Very high93.1Very high55 Ų5537.9 Ų37.926%0.25719%0.191SC..EExtended strand (participates in β ladder)trans-141.4129.4178.5-171.1162.291.600109.1H307 T308 D309 F326 F334 T335H307-Q324 HydrophobicContact CB-CG 4.35Å; T308-Q324 WeakPolarHBondContact O-CA 3.49Å; T308-Q324 WeakPolarHBondContact O-CG 3.32Å; D309-Q324 PolarHBondContact OD1-NE2 3.23Å; Q324-F326 HydrophobicContact CB-CE2 4.05Å; Q324-F326 HydrophobicContact CB-CZ 4.27Å; Q324-F326 HydrophobicContact CG-CE2 4Å; Q324-F326 HydrophobicContact CG-CZ 3.89Å; Q324-F326 WeakPolarHBondContact O-CE2 3.47Å; Q324-F334 WeakPolarHBondContact O-CA 3.32Å; Q324-T335 PolarHBondContact N-O 3.18Å; Q324-T335 PolarHBondContact O-N 2.81Å; Q324-T335 VanDerWaalsContact O-N 3.15Å
325M95.2Very high93.2Very high1 Ų139.5 Ų39.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-98.2142.5175.1-165.8-179.182.200109.8H307 T308 V327 I332 C333 F379 L388H307-M325 CarbonylContact C-O 3.55Å; H307-M325 WeakPolarHBondContact CA-O 3.4Å; H307-M325 WeakPolarHBondContact CB-O 3.47Å; T308-M325 PolarHBondContact N-O 3.26Å; T308-M325 PolarHBondContact O-N 3.43Å; M325-V327 HydrophobicContact CE-CG2 3.81Å; M325-I332 HydrophobicContact CE-CG2 4.28Å; M325-I332 HydrophobicContact CG-CG2 3.82Å; M325-I332 HydrophobicContact SD-CG2 3.68Å; M325-C333 CarbonylContact C-O 3.59Å; M325-C333 VanDerWaalsContact CA-O 3.31Å; M325-C333 WeakPolarHBondContact CA-O 3.15Å; M325-C333 WeakPolarHBondContact CG-O 3.49Å; M325-F379 HydrophobicContact CG-CE1 4.13Å; M325-F379 HydrophobicContact CG-CZ 4.48Å; M325-F379 HydrophobicContact SD-CD1 3.85Å; M325-F379 HydrophobicContact SD-CD2 4.18Å; M325-F379 HydrophobicContact SD-CE1 3.8Å; M325-F379 HydrophobicContact SD-CE2 4.15Å; M325-F379 HydrophobicContact SD-CG 4.02Å; M325-F379 HydrophobicContact SD-CZ 3.96Å; M325-L388 HydrophobicContact CE-CD1 3.76Å; M325-L388 HydrophobicContact CE-CD2 3.69Å; M325-L388 HydrophobicContact CE-CG 4.16Å
326F95.8Very high93.5Very high20 Ų2037 Ų379%0.08819%0.185CC..EExtended strand (participates in β ladder)trans-122.2140.7-179.2-59.2-98.3000108.4Y292 F296 L304 H307 Q324 I332 C333 T335Y292-F326 HydrophobicContact CD2-CB 3.9Å; Y292-F326 AromaticContact CD2-CD1 3.92Å; Y292-F326 HydrophobicContact CD2-CD1 3.92Å; Y292-F326 AromaticContact CD2-CG 3.98Å; Y292-F326 HydrophobicContact CD2-CG 3.98Å; Y292-F326 HydrophobicContact CE2-CB 3.39Å; Y292-F326 HydrophobicContact CE2-CD1 4.31Å; Y292-F326 AromaticContact CE2-CG 3.92Å; Y292-F326 HydrophobicContact CE2-CG 3.92Å; F296-F326 AromaticContact CE2-CD2 3.64Å; F296-F326 HydrophobicContact CE2-CD2 3.64Å; F296-F326 AromaticContact CE2-CE2 4Å; F296-F326 HydrophobicContact CE2-CE2 4Å; F296-F326 HydrophobicContact CE2-CG 4.07Å; F296-F326 AromaticContact CZ-CD2 3.83Å; F296-F326 HydrophobicContact CZ-CD2 3.83Å; F296-F326 HydrophobicContact CZ-CE2 4.05Å; L304-F326 HydrophobicContact CD1-CB 3.9Å; L304-F326 HydrophobicContact CD1-CD1 3.95Å; L304-F326 HydrophobicContact CD1-CG 4.44Å; L304-F326 HydrophobicContact CD2-CD1 4.3Å; H307-F326 HydrophobicContact CB-CD1 3.61Å; H307-F326 HydrophobicContact CB-CE1 3.86Å; H307-F326 HydrophobicContact CB-CG 4.2Å; Q324-F326 HydrophobicContact CB-CE2 4.05Å; Q324-F326 HydrophobicContact CB-CZ 4.27Å; Q324-F326 HydrophobicContact CG-CE2 4Å; Q324-F326 HydrophobicContact CG-CZ 3.89Å; Q324-F326 WeakPolarHBondContact O-CE2 3.47Å; F326-I332 WeakPolarHBondContact O-CA 3.32Å; F326-C333 HydrophobicContact CB-CB 4.45Å; F326-C333 PolarHBondContact N-O 3.03Å; F326-C333 PolarHBondContact O-N 3.2Å; F326-T335 HydrophobicContact CE2-CG2 4.09Å
327V93.9Very high93.6Very high5 Ų540.8 Ų40.83%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-130134.9177.5-176.70000109.4D305 G306 M325 I332 L388 I392 F395D305-V327 PolarHBondContact N-O 2.96Å; G306-V327 PolarHBondContact N-O 2.98Å; G306-V327 PolarHBondContact O-N 2.93Å; M325-V327 HydrophobicContact CE-CG2 3.81Å; V327-I332 HydrophobicContact CG2-CG1 4.43Å; V327-L388 HydrophobicContact CG2-CD1 3.83Å; V327-I392 HydrophobicContact CG1-CG1 4.24Å; V327-F395 HydrophobicContact CG1-CD2 4.08Å; V327-F395 HydrophobicContact CG1-CE2 3.99Å
328S93.3Very high93.4Very high0 Ų043.7 Ų43.70%021%0.212CC..EExtended strand (participates in β ladder)trans-142.6175.4178.362.80000110Y292 E302 K303 N330 Y331Y292-S328 PolarHBondContact OH-OG 3.27Å; Y292-S328 VanDerWaalsContact OH-OG 3.06Å; E302-S328 WeakPolarHBondContact OE1-CB 3.46Å; E302-S328 PolarHBondContact OE1-OG 3.06Å; K303-S328 WeakPolarHBondContact O-CB 3.32Å; S328-N330 PolarHBondContact O-N 3.45Å; S328-N330 VanDerWaalsContact O-N 3.1Å; S328-Y331 PolarHBondContact N-O 3.41Å; S328-Y331 PolarHBondContact O-N 3.49Å; S328-Y331 PolarHBondContact OG-O 2.93Å
329T88.7Confident92.5Very high55 Ų5542.7 Ų42.734%0.33721%0.21SC..SBendtrans-55.2-30.7-171.9-44.80000114.6E302 L348 F395E302-T329 PolarHBondContact OE1-N 3.4Å; E302-T329 VanDerWaalsContact OE1-N 3.13Å; T329-L348 WeakPolarHBondContact O-CD1 3.42Å; T329-F395 HydrophobicContact CG2-CD1 4.37Å
330N91.4Very high91.8Very high46 Ų4640.3 Ų40.325%0.24620%0.202CC..SBendtrans-124.2-5.8-176.5-60.4-70.5000114.4E302 S328 L348E302-N330 PolarHBondContact OE1-N 2.84Å; E302-N330 WeakPolarHBondContact OE2-CB 3.42Å; E302-N330 PolarHBondContact OE2-ND2 2.9Å; S328-N330 PolarHBondContact O-N 3.45Å; S328-N330 VanDerWaalsContact O-N 3.1Å; N330-L348 PolarHBondContact O-N 3.11Å
331Y94.8Very high91.6Very high4 Ų441 Ų412%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-141.8151.2-173.8-55.1-90.7000114.1L298 P299 E302 S328 I345 P347 N528L298-Y331 HydrophobicContact CD1-CD2 4.19Å; L298-Y331 HydrophobicContact CD1-CG 4.33Å; L298-Y331 HydrophobicContact CD2-CD1 3.82Å; L298-Y331 HydrophobicContact CD2-CD2 4Å; L298-Y331 HydrophobicContact CD2-CE1 3.96Å; L298-Y331 HydrophobicContact CD2-CE2 4.15Å; L298-Y331 HydrophobicContact CD2-CG 3.87Å; P299-Y331 HydrophobicContact CG-CE2 4.39Å; E302-Y331 HydrophobicContact CG-CD2 3.86Å; E302-Y331 HydrophobicContact CG-CE2 4.19Å; E302-Y331 WeakPolarHBondContact OE1-CD2 3.46Å; S328-Y331 PolarHBondContact N-O 3.41Å; S328-Y331 PolarHBondContact O-N 3.49Å; S328-Y331 PolarHBondContact OG-O 2.93Å; Y331-I345 HydrophobicContact CD1-CG2 3.93Å; Y331-P347 HydrophobicContact CD1-CB 4.02Å; Y331-P347 HydrophobicContact CD1-CG 4.13Å; Y331-P347 HydrophobicContact CE1-CB 3.96Å; Y331-P347 HydrophobicContact CE1-CG 4.03Å; Y331-N528 WeakPolarHBondContact OH-CB 3.44Å
332I96.1Very high91.6Very high1 Ų140.2 Ų40.21%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-117.1122.6160.7-58.5171.6000106.8M325 F326 V327 I346 L348 I369 I392M325-I332 HydrophobicContact CE-CG2 4.28Å; M325-I332 HydrophobicContact CG-CG2 3.82Å; M325-I332 HydrophobicContact SD-CG2 3.68Å; F326-I332 WeakPolarHBondContact O-CA 3.32Å; V327-I332 HydrophobicContact CG2-CG1 4.43Å; I332-I346 HydrophobicContact CB-CB 4.4Å; I332-I346 PolarHBondContact N-O 3.08Å; I332-I346 PolarHBondContact O-N 2.85Å; I332-L348 HydrophobicContact CD1-CD2 3.66Å; I332-L348 HydrophobicContact CG1-CD2 3.75Å; I332-I369 HydrophobicContact CD1-CD1 3.75Å; I332-I369 HydrophobicContact CG2-CD1 4.49Å; I332-I392 HydrophobicContact CD1-CD1 3.79Å; I332-I392 HydrophobicContact CD1-CG1 3.9Å; I332-I392 HydrophobicContact CD1-CG2 3.89Å
333C96.9Very high91.6Very high1 Ų137.4 Ų37.41%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-124.4155.5-178.8-55.60000111.3Y292 F296 M325 F326 L344Y292-C333 HydrophobicContact CE2-CB 4.08Å; Y292-C333 PolarHBondContact OH-SG 3.12Å; F296-C333 HydrophobicContact CD1-CB 3.72Å; F296-C333 HydrophobicContact CD2-CB 3.7Å; F296-C333 HydrophobicContact CE1-CB 3.67Å; F296-C333 HydrophobicContact CE2-CB 3.62Å; F296-C333 HydrophobicContact CG-CB 3.74Å; F296-C333 HydrophobicContact CZ-CB 3.61Å; M325-C333 CarbonylContact C-O 3.59Å; M325-C333 VanDerWaalsContact CA-O 3.31Å; M325-C333 WeakPolarHBondContact CA-O 3.15Å; M325-C333 WeakPolarHBondContact CG-O 3.49Å; F326-C333 HydrophobicContact CB-CB 4.45Å; F326-C333 PolarHBondContact N-O 3.03Å; F326-C333 PolarHBondContact O-N 3.2Å; C333-L344 CarbonylContact C-O 3.41Å; C333-L344 VanDerWaalsContact CA-O 3.32Å; C333-L344 WeakPolarHBondContact CA-O 3.3Å
334F96.8Very high91.6Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-139.5141.3176.5169.7-87000111.1F296 C310 L312 I321 Q324 S343 L344 F379F296-F334 WeakPolarHBondContact CE1-O 3.34Å; C310-F334 VanDerWaalsContact SG-CE2 3.59Å; L312-F334 HydrophobicContact CB-CD1 4.18Å; L312-F334 HydrophobicContact CB-CD2 4.14Å; L312-F334 HydrophobicContact CB-CE1 3.82Å; L312-F334 HydrophobicContact CB-CE2 3.74Å; L312-F334 HydrophobicContact CB-CG 4.33Å; L312-F334 HydrophobicContact CB-CZ 3.57Å; L312-F334 HydrophobicContact CD2-CB 4.42Å; L312-F334 HydrophobicContact CD2-CD1 3.4Å; L312-F334 VanDerWaalsContact CD2-CD1 3.4Å; L312-F334 HydrophobicContact CD2-CD2 4.49Å; L312-F334 HydrophobicContact CD2-CE1 3.65Å; L312-F334 HydrophobicContact CD2-CG 3.87Å; L312-F334 HydrophobicContact CD2-CZ 4.28Å; L312-F334 HydrophobicContact CG-CD1 4.46Å; L312-F334 HydrophobicContact CG-CE1 4.38Å; I321-F334 HydrophobicContact CG2-CZ 4.49Å; Q324-F334 WeakPolarHBondContact O-CA 3.32Å; F334-S343 WeakPolarHBondContact O-CA 3.44Å; F334-L344 HydrophobicContact CB-CB 4.39Å; F334-L344 PolarHBondContact N-O 2.94Å; F334-L344 PolarHBondContact O-N 3.07Å; F334-F379 HydrophobicContact CB-CE1 3.99Å; F334-F379 HydrophobicContact CB-CZ 4.41Å; F334-F379 HydrophobicContact CD2-CD1 4.49Å; F334-F379 AromaticContact CD2-CE1 3.92Å; F334-F379 HydrophobicContact CD2-CE1 3.92Å; F334-F379 HydrophobicContact CG-CE1 4.13Å
335T95.8Very high91.6Very high34 Ų3435 Ų3521%0.20918%0.181CC..EExtended strand (participates in β ladder)trans-128.7143.1164.4-168.50000110.3L295 G323 Q324 F326L295-T335 HydrophobicContact CD2-CG2 4.38Å; G323-T335 CarbonylContact C-O 3.55Å; G323-T335 WeakPolarHBondContact CA-O 3.39Å; Q324-T335 PolarHBondContact N-O 3.18Å; Q324-T335 PolarHBondContact O-N 2.81Å; Q324-T335 VanDerWaalsContact O-N 3.15Å; F326-T335 HydrophobicContact CE2-CG2 4.09Å
336S94.9Very high91.6Very high7 Ų735 Ų355%0.04918%0.181CC..EExtended strand (participates in β ladder)trans-60.4155.6164.8510000112.1E338 C342S336-E338 WeakPolarHBondContact CB-O 3.38Å; S336-E338 PolarHBondContact OG-O 2.55Å; S336-C342 PolarHBondContact N-O 3.17Å; S336-C342 PolarHBondContact OG-N 3.23Å; S336-C342 VanDerWaalsContact OG-N 3.13Å; S336-C342 PolarHBondContact OG-O 3.13Å
337K90.1Very high91.6Very high122 Ų12234.1 Ų34.153%0.5318%0.177SC..SBendtrans-75.5-30.2174.6-65.8-158.7177.5-166.20113.3D309 L322 G323D309-K337 IonicContact OD1-NZ 3.21Å; D309-K337 PolarHBondContact OD1-NZ 2.96Å; L322-K337 HydrophobicContact CD2-CD 4.01Å; L322-K337 HydrophobicContact CG-CD 3.94Å; L322-K337 HydrophobicContact CG-CG 4.24Å; L322-K337 PolarHBondContact O-N 2.72Å; G323-K337 WeakPolarHBondContact O-CE 3.09Å
338E85.5Confident91.5Very high130 Ų13034 Ų3461%0.60718%0.176SC*.SBendtrans-87.9138.5167.8-176.3170.4-167.200108.7S336 L341S336-E338 WeakPolarHBondContact CB-O 3.38Å; S336-E338 PolarHBondContact OG-O 2.55Å; E338-L341 HydrophobicContact CB-CD1 3.81Å; E338-L341 HydrophobicContact CB-CG 4Å; E338-L341 HydrophobicContact CG-CD1 4.21Å; E338-L341 HydrophobicContact CG-CG 4.05Å; E338-L341 WeakPolarHBondContact OE2-CD1 3.4Å
339E73.8Confident91.3Very high128 Ų12835.4 Ų35.460%0.59818%0.181SC*.THydrogen-bonded Turntrans-68.7148.5-173-154.1167.7165.300110.9L341E339-L341 PolarHBondContact O-N 3.27Å
340T75.5Confident91.4Very high72 Ų7235.1 Ų35.144%0.44218%0.176SC..THydrogen-bonded Turntrans60.1-11.7-179.172.10000119C342 T500 E501T340-C342 PolarHBondContact O-N 3.26Å; T340-T500 CarbonylContact O-C 3.48Å; T340-E501 WeakPolarHBondContact CB-OE2 3.46Å; T340-E501 PolarHBondContact O-N 3.38Å; T340-E501 VanDerWaalsContact O-N 3.08Å; T340-E501 PolarHBondContact OG1-OE2 3.41Å
341L87.3Confident91.5Very high75 Ų7533.6 Ų33.639%0.39317%0.168SC..SBendtrans-55.6-54.4179-77.3-168.5000112.8I321 E338 E339 T500I321-L341 HydrophobicContact CG2-CD1 4.4Å; E338-L341 HydrophobicContact CB-CD1 3.81Å; E338-L341 HydrophobicContact CB-CG 4Å; E338-L341 HydrophobicContact CG-CD1 4.21Å; E338-L341 HydrophobicContact CG-CG 4.05Å; E338-L341 WeakPolarHBondContact OE2-CD1 3.4Å; E339-L341 PolarHBondContact O-N 3.27Å; L341-T500 WeakPolarHBondContact O-CG2 3.37Å
342C92.9Very high91.2Very high1 Ų137.1 Ų37.11%0.00719%0.19CC..  trans-159.2128178.4-1730000112.4I321 S336 T340 R499I321-C342 HydrophobicContact CD1-CB 3.67Å; S336-C342 PolarHBondContact N-O 3.17Å; S336-C342 PolarHBondContact OG-N 3.23Å; S336-C342 VanDerWaalsContact OG-N 3.13Å; S336-C342 PolarHBondContact OG-O 3.13Å; T340-C342 PolarHBondContact O-N 3.26Å; C342-R499 CarbonylContact C-O 3.51Å; C342-R499 WeakPolarHBondContact CA-O 3.45Å
343S94.6Very high90.8Very high28 Ų2840.9 Ų40.920%0.19621%0.209CC..EExtended strand (participates in β ladder)trans-127.3144.2167.5-178.70000110.3F334 R499F334-S343 WeakPolarHBondContact O-CA 3.44Å; S343-R499 PolarHBondContact N-O 3.1Å; S343-R499 PolarHBondContact O-N 3.39Å
344L95Very high90.5Very high1 Ų142.4 Ų42.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-146140.5-173.2174.365.3000110.8L312 C333 F334 I346 F377 F379 C496 Y498L312-L344 HydrophobicContact CD1-CD2 4.49Å; L312-L344 HydrophobicContact CD2-CB 4.48Å; L312-L344 HydrophobicContact CD2-CD2 3.8Å; C333-L344 CarbonylContact C-O 3.41Å; C333-L344 VanDerWaalsContact CA-O 3.32Å; C333-L344 WeakPolarHBondContact CA-O 3.3Å; F334-L344 HydrophobicContact CB-CB 4.39Å; F334-L344 PolarHBondContact N-O 2.94Å; F334-L344 PolarHBondContact O-N 3.07Å; L344-I346 HydrophobicContact CD1-CG1 4.31Å; L344-I346 HydrophobicContact CD2-CD1 4.1Å; L344-I346 HydrophobicContact CD2-CG1 4.19Å; L344-I346 HydrophobicContact CG-CG1 4.07Å; L344-F377 HydrophobicContact CD1-CD1 4.22Å; L344-F377 HydrophobicContact CD1-CE1 3.6Å; L344-F377 HydrophobicContact CD1-CZ 4.05Å; L344-F377 HydrophobicContact CD2-CD1 3.37Å; L344-F377 HydrophobicContact CD2-CE1 3.66Å; L344-F377 HydrophobicContact CD2-CG 4.07Å; L344-F377 HydrophobicContact CG-CD1 4.43Å; L344-F377 HydrophobicContact CG-CE1 4.28Å; L344-F379 HydrophobicContact CD2-CZ 4.39Å; L344-C496 VanDerWaalsContact CD1-O 3.24Å; L344-C496 WeakPolarHBondContact CD1-O 3.45Å; L344-Y498 HydrophobicContact CD2-CE1 4.24Å
345I95.8Very high90Very high5 Ų547.7 Ų47.73%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-129.9121.1176.8-59.4168.1000107.8F296 L298 Y331 V495 C496F296-I345 HydrophobicContact CB-CD1 4.06Å; F296-I345 HydrophobicContact CB-CG1 4.21Å; F296-I345 HydrophobicContact CD1-CD1 4.33Å; F296-I345 HydrophobicContact CD1-CG1 3.87Å; F296-I345 HydrophobicContact CG-CG1 4.42Å; F296-I345 WeakPolarHBondContact O-CD1 3.49Å; L298-I345 HydrophobicContact CD2-CG2 4.2Å; Y331-I345 HydrophobicContact CD1-CG2 3.93Å; I345-V495 HydrophobicContact CG2-CG1 4.23Å; I345-C496 WeakPolarHBondContact O-CA 3.25Å
346I95.5Very high89.6Confident1 Ų150.9 Ų50.91%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-116.9102.8176-50171.8000107.4I332 L344 L348 V351 I369 T371 F377 F379I332-I346 HydrophobicContact CB-CB 4.4Å; I332-I346 PolarHBondContact N-O 3.08Å; I332-I346 PolarHBondContact O-N 2.85Å; L344-I346 HydrophobicContact CD1-CG1 4.31Å; L344-I346 HydrophobicContact CD2-CD1 4.1Å; L344-I346 HydrophobicContact CD2-CG1 4.19Å; L344-I346 HydrophobicContact CG-CG1 4.07Å; I346-L348 PolarHBondContact O-N 2.69Å; I346-V351 HydrophobicContact CG2-CG2 3.64Å; I346-I369 HydrophobicContact CD1-CG2 4.38Å; I346-T371 HydrophobicContact CG2-CG2 3.84Å; I346-F377 HydrophobicContact CD1-CB 4.11Å; I346-F377 HydrophobicContact CD1-CD1 4.45Å; I346-F377 HydrophobicContact CD1-CD2 3.57Å; I346-F377 HydrophobicContact CD1-CE2 4.1Å; I346-F377 HydrophobicContact CD1-CG 3.78Å; I346-F377 HydrophobicContact CG1-CD2 4.22Å; I346-F377 HydrophobicContact CG1-CE2 4.24Å; I346-F379 HydrophobicContact CD1-CE2 4.32Å; I346-F379 HydrophobicContact CD1-CZ 4.48Å
347P94.3Very high88.7Confident0 Ų052.7 Ų52.70%027%0.27CS..EExtended strand (participates in β ladder)trans-63.4134.4170.2-18.632.3000109.8Y331 R349 E350 V495Y331-P347 HydrophobicContact CD1-CB 4.02Å; Y331-P347 HydrophobicContact CD1-CG 4.13Å; Y331-P347 HydrophobicContact CE1-CB 3.96Å; Y331-P347 HydrophobicContact CE1-CG 4.03Å; P347-R349 HydrophobicContact CB-CG 3.86Å; P347-R349 PolarHBondContact O-N 3.01Å; P347-E350 HydrophobicContact CB-CG 4.29Å; P347-E350 HydrophobicContact CG-CG 4.34Å; P347-E350 WeakPolarHBondContact O-CB 3.31Å; P347-E350 PolarHBondContact O-N 3.33Å; P347-V495 HydrophobicContact CG-CB 4.21Å; P347-V495 HydrophobicContact CG-CG1 3.62Å
348L92.3Very high87.9Confident2 Ų254.3 Ų54.31%0.0128%0.284CS..G310 helixtrans-61.1-29.8179.8-72.7177.3000112.1T329 N330 I332 I346 E350 V351 I392 F395 L396T329-L348 WeakPolarHBondContact O-CD1 3.42Å; N330-L348 PolarHBondContact O-N 3.11Å; I332-L348 HydrophobicContact CD1-CD2 3.66Å; I332-L348 HydrophobicContact CG1-CD2 3.75Å; I346-L348 PolarHBondContact O-N 2.69Å; L348-E350 PolarHBondContact O-N 3.32Å; L348-E350 VanDerWaalsContact O-N 3.15Å; L348-V351 HydrophobicContact CD2-CG2 4.36Å; L348-V351 PolarHBondContact O-N 2.7Å; L348-V351 VanDerWaalsContact O-N 3.12Å; L348-I392 HydrophobicContact CD2-CG2 4.27Å; L348-F395 HydrophobicContact CD1-CB 3.61Å; L348-F395 HydrophobicContact CD1-CG 4.43Å; L348-L396 HydrophobicContact CB-CD2 3.98Å; L348-L396 HydrophobicContact CD2-CD2 3.99Å; L348-L396 HydrophobicContact CD2-CG 4.23Å; L348-L396 VanDerWaalsContact O-CD2 3.32Å; L348-L396 WeakPolarHBondContact O-CD2 3.48Å
349R90Very high87.4Confident31 Ų3151.4 Ų51.412%0.11728%0.278CS..G310 helixtrans-59.6-19.1170.769.3175.6-171.5-86.7-8.4114.2P347 K372 T399 I403 N528P347-R349 HydrophobicContact CB-CG 3.86Å; P347-R349 PolarHBondContact O-N 3.01Å; R349-K372 WeakPolarHBondContact O-CE 3.37Å; R349-K372 PolarHBondContact O-NZ 3.19Å; R349-T399 HydrophobicContact CB-CG2 4.3Å; R349-I403 HydrophobicContact CB-CD1 4.1Å; R349-N528 PolarHBondContact NH1-OD1 2.9Å; R349-N528 PolarHBondContact NH2-OD1 3.47Å
350E90.6Very high87.3Confident48 Ų4847.9 Ų47.922%0.22427%0.268CS..G310 helixtrans-95.6-13.9177.1-66-49.7117.600113.8P347 L348 T371 K372P347-E350 HydrophobicContact CB-CG 4.29Å; P347-E350 HydrophobicContact CG-CG 4.34Å; P347-E350 WeakPolarHBondContact O-CB 3.31Å; P347-E350 PolarHBondContact O-N 3.33Å; L348-E350 PolarHBondContact O-N 3.32Å; L348-E350 VanDerWaalsContact O-N 3.15Å; E350-T371 HydrophobicContact CB-CG2 4.36Å; E350-T371 CarbonylContact O-C 3.58Å; E350-T371 WeakPolarHBondContact O-CA 3.33Å; E350-T371 VanDerWaalsContact O-CB 3.3Å; E350-T371 WeakPolarHBondContact O-CB 3.37Å; E350-K372 PolarHBondContact O-N 2.55Å; E350-K372 IonicContact OE1-NZ 3.18Å; E350-K372 WeakPolarHBondContact OE2-CD 3.15Å
351V92.9Very high86.6Confident15 Ų1553 Ų539%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-73.9136.8179.8177.60000110.2I346 L348 V354 I369 L396I346-V351 HydrophobicContact CG2-CG2 3.64Å; L348-V351 HydrophobicContact CD2-CG2 4.36Å; L348-V351 PolarHBondContact O-N 2.7Å; L348-V351 VanDerWaalsContact O-N 3.12Å; V351-V354 HydrophobicContact CG1-CG2 3.58Å; V351-I369 HydrophobicContact CG1-CG2 3.96Å; V351-I369 HydrophobicContact CG2-CG2 3.85Å; V351-L396 HydrophobicContact CB-CD2 3.93Å; V351-L396 HydrophobicContact CG1-CD1 4.04Å; V351-L396 HydrophobicContact CG1-CD2 4.22Å
352T88.4Confident85.5Confident77 Ų7755.5 Ų55.547%0.47231%0.31SS..EExtended strand (participates in β ladder)trans-116.1-35.6177.452.50000112.7S370 K372T352-S370 PolarHBondContact N-O 3.08Å; T352-S370 PolarHBondContact OG1-O 3.46Å; T352-K372 HydrophobicContact CG2-CB 4.31Å; T352-K372 HydrophobicContact CG2-CG 3.6Å
353I87.8Confident84.5Confident80 Ų8058 Ų5841%0.4132%0.324SS..EExtended strand (participates in β ladder)trans-140.5138.1-176.3-57.9178.2000109.1E355 S370I353-E355 HydrophobicContact CG2-CB 4.46Å; I353-E355 HydrophobicContact CG2-CG 3.69Å; I353-S370 PolarHBondContact N-O 3.01Å; I353-S370 PolarHBondContact O-N 2.95Å
354V90.1Very high83.6Confident34 Ų3459.4 Ų59.421%0.20633%0.332CS..EExtended strand (participates in β ladder)trans-128.6108.2173.5-177.50000108.1V351 L367 S368 I369 V389 I392 L396V351-V354 HydrophobicContact CG1-CG2 3.58Å; V354-L367 HydrophobicContact CG1-CD1 3.71Å; V354-S368 WeakPolarHBondContact CA-O 3.49Å; V354-I369 HydrophobicContact CG1-CG1 4.5Å; V354-V389 HydrophobicContact CG1-CG1 4.12Å; V354-V389 HydrophobicContact CG1-CG2 4.46Å; V354-I392 HydrophobicContact CG1-CG2 4.34Å; V354-I392 HydrophobicContact CG2-CG2 3.96Å; V354-L396 HydrophobicContact CG2-CD1 3.74Å
355E87.9Confident83Confident110 Ų11060.9 Ų60.951%0.51434%0.343SS..EExtended strand (participates in β ladder)trans-116.6135.5-169.4-93.3173.4-172.400112.6I353 L367 S368I353-E355 HydrophobicContact CG2-CB 4.46Å; I353-E355 HydrophobicContact CG2-CG 3.69Å; E355-L367 WeakPolarHBondContact O-CD1 3.22Å; E355-S368 PolarHBondContact N-O 3.18Å; E355-S368 PolarHBondContact O-N 2.7Å
356K86.8Confident82.6Confident102 Ų10260.9 Ų60.944%0.44334%0.343SS..EExtended strand (participates in β ladder)trans-90.4112.8170.1-63.9175.7-175.9-173.60108.2D386 V389K356-D386 WeakPolarHBondContact CD-OD1 3.37Å; K356-D386 WeakPolarHBondContact CE-OD1 3.3Å; K356-D386 IonicContact NZ-OD1 2.72Å; K356-D386 PolarHBondContact NZ-OD1 3.17Å; K356-V389 HydrophobicContact CD-CG1 4.49Å; K356-V389 VanDerWaalsContact CE-CG1 3.44Å; K356-V389 HydrophobicContact CG-CG1 4.3Å; K356-V389 HydrophobicContact CG-CG2 4.09Å
357A75.8Confident82.4Confident44 Ų4460.8 Ų60.836%0.36434%0.342SS..PPolyproline II helixtrans-86161.8169.700000110.9P366 R385A357-P366 HydrophobicContact CB-CB 4.12Å; A357-P366 HydrophobicContact CB-CG 3.73Å; A357-R385 PolarHBondContact O-NH1 3.09Å
358D72.9Confident82.4Confident156 Ų15661.7 Ų61.783%0.83435%0.349SS*.PPolyproline II helixtrans-68.7131.9179.4-73.9-43.8000111.9P366D358-P366 WeakPolarHBondContact O-CG 3.37Å
359S75.4Confident82.4Confident69 Ų6961.6 Ų61.648%0.48335%0.348SS..PPolyproline II helixtrans-69.1132.3175.8-68.80000110.9S365S359-S365 WeakPolarHBondContact OG-CA 3.21Å; S359-S365 PolarHBondContact OG-N 3.01Å; S359-S365 VanDerWaalsContact OG-N 3.08Å
360S71.1Confident82.6Confident54 Ų5461.1 Ų61.138%0.37835%0.349SS..  trans-125.5165.6173.668.60000111.4V362 L363S360-V362 PolarHBondContact O-N 2.73Å; S360-V362 VanDerWaalsContact O-N 3.09Å; S360-V362 PolarHBondContact OG-N 2.86Å; S360-L363 PolarHBondContact N-O 2.85Å; S360-L363 CarbonylContact O-C 3.56Å; S360-L363 PolarHBondContact O-N 2.99Å; S360-L363 PolarHBondContact OG-N 2.74Å
361N61Low82.7Confident179 Ų17959 Ų5996%0.95734%0.339SS*.SBendtrans-63.4-13.2175.3-66.6-7.6000113.6
362V64.1Low82.5Confident128 Ų12864.1 Ų64.178%0.77636%0.361SS*.SBendtrans-101.3-34177.6-175.70000111.3S360S360-V362 PolarHBondContact O-N 2.73Å; S360-V362 VanDerWaalsContact O-N 3.09Å; S360-V362 PolarHBondContact OG-N 2.86Å
363L72.2Confident82.2Confident54 Ų5464 Ų6428%0.28336%0.357SS..SBendtrans-128.590.7178-66.3174.6000109.7H320 S360 A380H320-L363 VanDerWaalsContact NE2-CD2 3.35Å; H320-L363 WeakPolarHBondContact NE2-CD2 3.36Å; S360-L363 PolarHBondContact N-O 2.85Å; S360-L363 CarbonylContact O-C 3.56Å; S360-L363 PolarHBondContact O-N 2.99Å; S360-L363 PolarHBondContact OG-N 2.74Å; L363-A380 HydrophobicContact CD2-CB 4.3Å
364P76.3Confident82.1Confident57 Ų5770 Ų7037%0.3738%0.375SS..  trans-76.4135176.229.3-32.9000111.1N381P364-N381 HydrophobicContact CG-CB 4.43Å; P364-N381 WeakPolarHBondContact O-CA 3.49Å; P364-N381 PolarHBondContact O-N 2.92Å
365S81.6Confident82.1Confident33 Ų3369.8 Ų69.823%0.23137%0.372CS..SBendtrans49.354.8174.5-60.20000115.4S359 L382S359-S365 WeakPolarHBondContact OG-CA 3.21Å; S359-S365 PolarHBondContact OG-N 3.01Å; S359-S365 VanDerWaalsContact OG-N 3.08Å; S365-L382 WeakPolarHBondContact CB-O 3.23Å; S365-L382 PolarHBondContact OG-O 3.31Å
366P88.3Confident82.3Confident4 Ų468 Ų683%0.02637%0.368CS..  trans-71.9148.2179.430.2-34000113A357 D358 L378 F379 R385A357-P366 HydrophobicContact CB-CB 4.12Å; A357-P366 HydrophobicContact CB-CG 3.73Å; D358-P366 WeakPolarHBondContact O-CG 3.37Å; P366-L378 HydrophobicContact CB-CD1 4.1Å; P366-F379 CarbonylContact C-O 3.57Å; P366-F379 VanDerWaalsContact CA-O 3.29Å; P366-F379 WeakPolarHBondContact CA-O 3.17Å; P366-R385 WeakPolarHBondContact O-CD 3.46Å
367L91.8Very high82.7Confident0 Ų063.1 Ų63.10%035%0.347CS..EExtended strand (participates in β ladder)trans-138.3121.5179.717155.8000109.1V354 E355 I369 F379 L382 L388 V389 I392V354-L367 HydrophobicContact CG1-CD1 3.71Å; E355-L367 WeakPolarHBondContact O-CD1 3.22Å; L367-I369 HydrophobicContact CD1-CG1 4.48Å; L367-I369 HydrophobicContact CD2-CD1 4.45Å; L367-I369 HydrophobicContact CG-CG1 4.28Å; L367-F379 HydrophobicContact CB-CB 4.41Å; L367-F379 PolarHBondContact N-O 3.12Å; L367-F379 PolarHBondContact O-N 2.65Å; L367-L382 HydrophobicContact CB-CD1 3.5Å; L367-L382 VanDerWaalsContact CB-CD1 3.5Å; L367-L382 HydrophobicContact CD2-CD1 3.77Å; L367-L382 HydrophobicContact CG-CD1 4.27Å; L367-L388 HydrophobicContact CD2-CD2 4.22Å; L367-V389 HydrophobicContact CD1-CG2 3.5Å; L367-V389 VanDerWaalsContact CD1-CG2 3.5Å; L367-V389 HydrophobicContact CD2-CG2 4.11Å; L367-V389 HydrophobicContact CG-CG2 4.39Å; L367-I392 HydrophobicContact CD2-CD1 4.31Å
368S92.4Very high83.5Confident19 Ų1963.2 Ų63.213%0.13334%0.341CS..EExtended strand (participates in β ladder)trans-100.4135.1174.2-173.70000110.2V354 E355 T376V354-S368 WeakPolarHBondContact CA-O 3.49Å; E355-S368 PolarHBondContact N-O 3.18Å; E355-S368 PolarHBondContact O-N 2.7Å; S368-T376 VanDerWaalsContact OG-CG2 3.31Å; S368-T376 WeakPolarHBondContact OG-CG2 3.21Å
369I94.2Very high84.6Confident0 Ų055.9 Ų55.90%030%0.302CS..EExtended strand (participates in β ladder)trans-127.1117.5174-61.1174.4000107.7I332 I346 V351 V354 L367 T376 F377 F379I332-I369 HydrophobicContact CD1-CD1 3.75Å; I332-I369 HydrophobicContact CG2-CD1 4.49Å; I346-I369 HydrophobicContact CD1-CG2 4.38Å; V351-I369 HydrophobicContact CG1-CG2 3.96Å; V351-I369 HydrophobicContact CG2-CG2 3.85Å; V354-I369 HydrophobicContact CG1-CG1 4.5Å; L367-I369 HydrophobicContact CD1-CG1 4.48Å; L367-I369 HydrophobicContact CD2-CD1 4.45Å; L367-I369 HydrophobicContact CG-CG1 4.28Å; I369-T376 CarbonylContact O-C 3.57Å; I369-T376 WeakPolarHBondContact O-CA 3.38Å; I369-F377 PolarHBondContact N-O 3.34Å; I369-F377 PolarHBondContact O-N 3.1Å; I369-F379 HydrophobicContact CD1-CD2 4.16Å; I369-F379 HydrophobicContact CD1-CE2 4Å
370S93.3Very high85.4Confident20 Ų2052.6 Ų52.614%0.1428%0.279CS..EExtended strand (participates in β ladder)trans-108148.7176.8-57.30000111.2T352 I353 M375 T376T352-S370 PolarHBondContact N-O 3.08Å; T352-S370 PolarHBondContact OG1-O 3.46Å; I353-S370 PolarHBondContact N-O 3.01Å; I353-S370 PolarHBondContact O-N 2.95Å; S370-M375 WeakPolarHBondContact CA-O 3.37Å; S370-T376 WeakPolarHBondContact CB-OG1 3.33Å; S370-T376 WeakPolarHBondContact OG-CG2 3.48Å; S370-T376 PolarHBondContact OG-OG1 3.32Å
371T92.8Very high86.3Confident3 Ų354 Ų542%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-121.3165.1-17448.60000113.2I346 E350 N373 R374 M375 F377I346-T371 HydrophobicContact CG2-CG2 3.84Å; E350-T371 HydrophobicContact CB-CG2 4.36Å; E350-T371 CarbonylContact O-C 3.58Å; E350-T371 WeakPolarHBondContact O-CA 3.33Å; E350-T371 VanDerWaalsContact O-CB 3.3Å; E350-T371 WeakPolarHBondContact O-CB 3.37Å; T371-N373 VanDerWaalsContact C-N 3.27Å; T371-N373 WeakPolarHBondContact CB-OD1 3.44Å; T371-N373 PolarHBondContact O-N 2.96Å; T371-N373 PolarHBondContact OG1-OD1 3.4Å; T371-R374 WeakPolarHBondContact O-CA 3.49Å; T371-R374 PolarHBondContact O-N 3.07Å; T371-M375 PolarHBondContact N-O 3.38Å; T371-M375 VanDerWaalsContact N-O 3.09Å; T371-M375 WeakPolarHBondContact OG1-CB 3.15Å; T371-M375 PolarHBondContact OG1-O 3.22Å; T371-F377 HydrophobicContact CG2-CD2 4.48Å; T371-F377 HydrophobicContact CG2-CE2 3.99Å
372K87.8Confident87.6Confident124 Ų12445.6 Ų45.654%0.53924%0.238SC..THydrogen-bonded Turntrans-54.7-39.3179.4-71.3174.1179.5163.20113.1R349 E350 T352 R374R349-K372 WeakPolarHBondContact O-CE 3.37Å; R349-K372 PolarHBondContact O-NZ 3.19Å; E350-K372 PolarHBondContact O-N 2.55Å; E350-K372 IonicContact OE1-NZ 3.18Å; E350-K372 WeakPolarHBondContact OE2-CD 3.15Å; T352-K372 HydrophobicContact CG2-CB 4.31Å; T352-K372 HydrophobicContact CG2-CG 3.6Å; K372-R374 PolarHBondContact O-N 2.87Å; K372-R374 VanDerWaalsContact O-N 3.12Å
373N83.6Confident88.5Confident73 Ų7346.2 Ų46.239%0.3923%0.23SC..THydrogen-bonded Turntrans-7512.7175.673.1-14.1000114.1T371 M375T371-N373 VanDerWaalsContact C-N 3.27Å; T371-N373 WeakPolarHBondContact CB-OD1 3.44Å; T371-N373 PolarHBondContact O-N 2.96Å; T371-N373 PolarHBondContact OG1-OD1 3.4Å; N373-M375 PolarHBondContact ND2-SD 3.15Å; N373-M375 PolarHBondContact O-N 3.29Å; N373-M375 WeakPolarHBondContact OD1-CG 3.4Å; N373-M375 PolarHBondContact OD1-N 3.02Å
374R85.6Confident89.1Confident208 Ų20849.3 Ų49.379%0.78525%0.247SC*.SBendtrans63.811.3179.3-51.7-179.3-179.7-178.50.2115.6T371 K372T371-R374 WeakPolarHBondContact O-CA 3.49Å; T371-R374 PolarHBondContact O-N 3.07Å; K372-R374 PolarHBondContact O-N 2.87Å; K372-R374 VanDerWaalsContact O-N 3.12Å
375M89.9Confident89.6Confident28 Ų2848.3 Ų48.314%0.13824%0.236CC..  trans-66.7156.8164.5-61.9-179.17500110S370 T371 N373 F377 C496 Y498S370-M375 WeakPolarHBondContact CA-O 3.37Å; T371-M375 PolarHBondContact N-O 3.38Å; T371-M375 VanDerWaalsContact N-O 3.09Å; T371-M375 WeakPolarHBondContact OG1-CB 3.15Å; T371-M375 PolarHBondContact OG1-O 3.22Å; N373-M375 PolarHBondContact ND2-SD 3.15Å; N373-M375 PolarHBondContact O-N 3.29Å; N373-M375 WeakPolarHBondContact OD1-CG 3.4Å; N373-M375 PolarHBondContact OD1-N 3.02Å; M375-F377 HydrophobicContact CB-CE2 3.78Å; M375-F377 HydrophobicContact CB-CZ 3.73Å; M375-F377 HydrophobicContact CE-CE1 3.88Å; M375-F377 HydrophobicContact CE-CZ 3.64Å; M375-F377 HydrophobicContact CG-CZ 4.48Å; M375-F377 HydrophobicContact SD-CZ 4.04Å; M375-C496 WeakPolarHBondContact CE-O 3.21Å; M375-C496 HydrophobicContact SD-CB 4.15Å; M375-Y498 HydrophobicContact CE-CD2 4.04Å; M375-Y498 HydrophobicContact CE-CE2 3.85Å
376T92.2Very high89.8Confident73 Ų7350.4 Ų50.445%0.44824%0.244SC..EExtended strand (participates in β ladder)trans-145.2131175.2-66.70000109.4S368 I369 S370S368-T376 VanDerWaalsContact OG-CG2 3.31Å; S368-T376 WeakPolarHBondContact OG-CG2 3.21Å; I369-T376 CarbonylContact O-C 3.57Å; I369-T376 WeakPolarHBondContact O-CA 3.38Å; S370-T376 WeakPolarHBondContact CB-OG1 3.33Å; S370-T376 WeakPolarHBondContact OG-CG2 3.48Å; S370-T376 PolarHBondContact OG-OG1 3.32Å
377F94.6Very high89.8Confident0 Ų056 Ų560%027%0.268CS..EExtended strand (participates in β ladder)trans-116.5117.9-171.9-55.9-81.6000108.8L312 L344 I346 I369 T371 M375 F379 C496 Y498L312-F377 HydrophobicContact CD1-CB 4.43Å; L344-F377 HydrophobicContact CD1-CD1 4.22Å; L344-F377 HydrophobicContact CD1-CE1 3.6Å; L344-F377 HydrophobicContact CD1-CZ 4.05Å; L344-F377 HydrophobicContact CD2-CD1 3.37Å; L344-F377 HydrophobicContact CD2-CE1 3.66Å; L344-F377 HydrophobicContact CD2-CG 4.07Å; L344-F377 HydrophobicContact CG-CD1 4.43Å; L344-F377 HydrophobicContact CG-CE1 4.28Å; I346-F377 HydrophobicContact CD1-CB 4.11Å; I346-F377 HydrophobicContact CD1-CD1 4.45Å; I346-F377 HydrophobicContact CD1-CD2 3.57Å; I346-F377 HydrophobicContact CD1-CE2 4.1Å; I346-F377 HydrophobicContact CD1-CG 3.78Å; I346-F377 HydrophobicContact CG1-CD2 4.22Å; I346-F377 HydrophobicContact CG1-CE2 4.24Å; I369-F377 PolarHBondContact N-O 3.34Å; I369-F377 PolarHBondContact O-N 3.1Å; T371-F377 HydrophobicContact CG2-CD2 4.48Å; T371-F377 HydrophobicContact CG2-CE2 3.99Å; M375-F377 HydrophobicContact CB-CE2 3.78Å; M375-F377 HydrophobicContact CB-CZ 3.73Å; M375-F377 HydrophobicContact CE-CE1 3.88Å; M375-F377 HydrophobicContact CE-CZ 3.64Å; M375-F377 HydrophobicContact CG-CZ 4.48Å; M375-F377 HydrophobicContact SD-CZ 4.04Å; F377-F379 HydrophobicContact CB-CD2 4.49Å; F377-F379 HydrophobicContact CB-CE2 3.85Å; F377-C496 HydrophobicContact CE2-CB 4.28Å; F377-C496 HydrophobicContact CZ-CB 3.87Å; F377-C496 WeakPolarHBondContact CZ-O 3.36Å; F377-Y498 AromaticContact CD1-CE1 3.92Å; F377-Y498 HydrophobicContact CD1-CE1 3.92Å; F377-Y498 HydrophobicContact CD1-CE2 4.34Å; F377-Y498 AromaticContact CD1-CZ 3.59Å; F377-Y498 VanDerWaalsContact CD1-OH 3.22Å; F377-Y498 WeakPolarHBondContact CD1-OH 3.36Å; F377-Y498 AromaticContact CE1-CE1 3.99Å; F377-Y498 HydrophobicContact CE1-CE1 3.99Å; F377-Y498 AromaticContact CE1-CE2 3.86Å; F377-Y498 HydrophobicContact CE1-CE2 3.86Å; F377-Y498 AromaticContact CE1-CZ 3.55Å
378L93.5Very high89.6Confident46 Ų4657 Ų5724%0.24127%0.274CS..EExtended strand (participates in β ladder)trans-103.7109.8-178.9174.264.1000110W313 P366W313-L378 HydrophobicContact CB-CB 3.99Å; W313-L378 HydrophobicContact CB-CD2 4.34Å; W313-L378 HydrophobicContact CB-CG 4.36Å; W313-L378 PolarHBondContact N-O 2.63Å; P366-L378 HydrophobicContact CB-CD1 4.1Å
379F94.5Very high89.4Confident1 Ų156.6 Ų56.60%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-96.7146.5172.4-63.8-87.8000110.4T311 L312 M325 F334 L344 I346 P366 L367 I369 F377 L382T311-F379 CarbonylContact O-C 3.57Å; T311-F379 VanDerWaalsContact O-CA 3.29Å; T311-F379 WeakPolarHBondContact O-CA 3.33Å; L312-F379 HydrophobicContact CB-CD1 4.28Å; L312-F379 HydrophobicContact CB-CE1 4.18Å; L312-F379 HydrophobicContact CD1-CD1 4.13Å; L312-F379 HydrophobicContact CD1-CE1 3.82Å; L312-F379 HydrophobicContact CD1-CE2 4.28Å; L312-F379 HydrophobicContact CD1-CZ 3.91Å; L312-F379 HydrophobicContact CD2-CE1 4.41Å; L312-F379 HydrophobicContact CG-CE1 4.36Å; M325-F379 HydrophobicContact CG-CE1 4.13Å; M325-F379 HydrophobicContact CG-CZ 4.48Å; M325-F379 HydrophobicContact SD-CD1 3.85Å; M325-F379 HydrophobicContact SD-CD2 4.18Å; M325-F379 HydrophobicContact SD-CE1 3.8Å; M325-F379 HydrophobicContact SD-CE2 4.15Å; M325-F379 HydrophobicContact SD-CG 4.02Å; M325-F379 HydrophobicContact SD-CZ 3.96Å; F334-F379 HydrophobicContact CB-CE1 3.99Å; F334-F379 HydrophobicContact CB-CZ 4.41Å; F334-F379 HydrophobicContact CD2-CD1 4.49Å; F334-F379 AromaticContact CD2-CE1 3.92Å; F334-F379 HydrophobicContact CD2-CE1 3.92Å; F334-F379 HydrophobicContact CG-CE1 4.13Å; L344-F379 HydrophobicContact CD2-CZ 4.39Å; I346-F379 HydrophobicContact CD1-CE2 4.32Å; I346-F379 HydrophobicContact CD1-CZ 4.48Å; P366-F379 CarbonylContact C-O 3.57Å; P366-F379 VanDerWaalsContact CA-O 3.29Å; P366-F379 WeakPolarHBondContact CA-O 3.17Å; L367-F379 HydrophobicContact CB-CB 4.41Å; L367-F379 PolarHBondContact N-O 3.12Å; L367-F379 PolarHBondContact O-N 2.65Å; I369-F379 HydrophobicContact CD1-CD2 4.16Å; I369-F379 HydrophobicContact CD1-CE2 4Å; F377-F379 HydrophobicContact CB-CD2 4.49Å; F377-F379 HydrophobicContact CB-CE2 3.85Å; F379-L382 HydrophobicContact CB-CD1 4.09Å
380A92.9Very high89.1Confident1 Ų162.3 Ų62.31%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-146.1172.4174.800000111.8T311 L363T311-A380 PolarHBondContact N-O 3.4Å; T311-A380 PolarHBondContact O-N 3.38Å; T311-A380 PolarHBondContact OG1-O 3.13Å; T311-A380 VanDerWaalsContact OG1-O 3.13Å; L363-A380 HydrophobicContact CD2-CB 4.3Å
381N90Very high88.9Confident83 Ų8365.3 Ų65.344%0.44431%0.305SS..  trans64.434.5-174.1-161.727.3000113.9P364P364-N381 HydrophobicContact CG-CB 4.43Å; P364-N381 WeakPolarHBondContact O-CA 3.49Å; P364-N381 PolarHBondContact O-N 2.92Å
382L89.1Confident88.8Confident3 Ų365.2 Ų65.22%0.01630%0.304CS..  trans-85118.8-179.1-65.4167.4000111.1T308 C310 S365 L367 F379 R385 L388T308-L382 HydrophobicContact CG2-CD2 3.68Å; C310-L382 HydrophobicContact CB-CD2 3.57Å; C310-L382 HydrophobicContact CB-CG 4.39Å; S365-L382 WeakPolarHBondContact CB-O 3.23Å; S365-L382 PolarHBondContact OG-O 3.31Å; L367-L382 HydrophobicContact CB-CD1 3.5Å; L367-L382 VanDerWaalsContact CB-CD1 3.5Å; L367-L382 HydrophobicContact CD2-CD1 3.77Å; L367-L382 HydrophobicContact CG-CD1 4.27Å; F379-L382 HydrophobicContact CB-CD1 4.09Å; L382-R385 HydrophobicContact CB-CB 4.11Å; L382-R385 HydrophobicContact CD1-CG 4.44Å; L382-L388 HydrophobicContact CD1-CD2 3.98Å; L382-L388 HydrophobicContact CD2-CD2 3.81Å; L382-L388 HydrophobicContact CG-CD2 4.33Å
383K82.9Confident88.9Confident140 Ų14061.3 Ų61.361%0.60929%0.293SS*.THydrogen-bonded Turntrans-60.9-53.2-174.6-68.4166.4-179.9164.60112.8D309D309-K383 IonicContact OD2-NZ 2.96Å; D309-K383 PolarHBondContact OD2-NZ 3.06Å
384D83.3Confident89.2Confident120 Ų12060.3 Ų60.364%0.64229%0.287SS*.THydrogen-bonded Turntrans-116.552.2-178.8-71-66.8000111.7D386 F387 L388D384-D386 VanDerWaalsContact C-N 3.26Å; D384-D386 PolarHBondContact O-N 3.29Å; D384-D386 VanDerWaalsContact O-N 3.14Å; D384-F387 HydrophobicContact CB-CB 4.41Å; D384-F387 PolarHBondContact O-N 3.27Å; D384-L388 WeakPolarHBondContact O-CB 3.22Å; D384-L388 PolarHBondContact O-N 3.27Å
385R86.6Confident89.4Confident36 Ų3651.3 Ų51.314%0.13625%0.254CS..Hα-helixtrans-48.3-43.7-175.1-175.5-157.563.5175.5-3.1113.4A357 P366 L382 L388 V389A357-R385 PolarHBondContact O-NH1 3.09Å; P366-R385 WeakPolarHBondContact O-CD 3.46Å; L382-R385 HydrophobicContact CB-CB 4.11Å; L382-R385 HydrophobicContact CD1-CG 4.44Å; R385-L388 WeakPolarHBondContact O-CB 3.08Å; R385-L388 PolarHBondContact O-N 2.82Å; R385-V389 HydrophobicContact CG-CG2 4.38Å; R385-V389 WeakPolarHBondContact O-CG2 3.48Å; R385-V389 PolarHBondContact O-N 3Å
386D86.3Confident89.2Confident76 Ų7651.6 Ų51.641%0.40626%0.256SS..Hα-helixtrans-73.4-34.9-172.2-69.6-69000113.3K356 D384 Q390K356-D386 WeakPolarHBondContact CD-OD1 3.37Å; K356-D386 WeakPolarHBondContact CE-OD1 3.3Å; K356-D386 IonicContact NZ-OD1 2.72Å; K356-D386 PolarHBondContact NZ-OD1 3.17Å; D384-D386 VanDerWaalsContact C-N 3.26Å; D384-D386 PolarHBondContact O-N 3.29Å; D384-D386 VanDerWaalsContact O-N 3.14Å; D386-Q390 PolarHBondContact O-N 2.99Å
387F87.8Confident88.9Confident123 Ų12354.2 Ų54.254%0.53926%0.263SS..Hα-helixtrans-67.1-43.1169170.7-101.7000111.3D384 Q390 R391D384-F387 HydrophobicContact CB-CB 4.41Å; D384-F387 PolarHBondContact O-N 3.27Å; F387-Q390 PolarHBondContact O-N 2.97Å; F387-R391 HydrophobicContact CD1-CG 4.36Å; F387-R391 HydrophobicContact CE1-CG 3.84Å; F387-R391 HydrophobicContact CE2-CG 4.02Å; F387-R391 HydrophobicContact CZ-CG 3.65Å; F387-R391 WeakPolarHBondContact O-CB 3.16Å; F387-R391 PolarHBondContact O-N 3.26Å
388L87.8Confident88.3Confident21 Ų2159.5 Ų59.511%0.1129%0.288CS..Hα-helixtrans-60.9-44.2178.6172.463.9000112.6T308 M325 V327 L367 L382 D384 R385 R391 I392T308-L388 HydrophobicContact CG2-CD2 4.31Å; M325-L388 HydrophobicContact CE-CD1 3.76Å; M325-L388 HydrophobicContact CE-CD2 3.69Å; M325-L388 HydrophobicContact CE-CG 4.16Å; V327-L388 HydrophobicContact CG2-CD1 3.83Å; L367-L388 HydrophobicContact CD2-CD2 4.22Å; L382-L388 HydrophobicContact CD1-CD2 3.98Å; L382-L388 HydrophobicContact CD2-CD2 3.81Å; L382-L388 HydrophobicContact CG-CD2 4.33Å; D384-L388 WeakPolarHBondContact O-CB 3.22Å; D384-L388 PolarHBondContact O-N 3.27Å; R385-L388 WeakPolarHBondContact O-CB 3.08Å; R385-L388 PolarHBondContact O-N 2.82Å; L388-R391 WeakPolarHBondContact O-CB 3.19Å; L388-R391 PolarHBondContact O-N 3.08Å; L388-I392 HydrophobicContact CD1-CD1 3.96Å; L388-I392 HydrophobicContact CD1-CG1 4.44Å; L388-I392 HydrophobicContact CG-CD1 4.08Å; L388-I392 WeakPolarHBondContact O-CG1 3.21Å; L388-I392 PolarHBondContact O-N 3.14Å
389V88.9Confident87.6Confident9 Ų957.9 Ų57.96%0.05528%0.28CS..Hα-helixtrans-67.2-37.6176.2172.50000111.5V354 K356 L367 R385 I392 S393V354-V389 HydrophobicContact CG1-CG1 4.12Å; V354-V389 HydrophobicContact CG1-CG2 4.46Å; K356-V389 HydrophobicContact CD-CG1 4.49Å; K356-V389 VanDerWaalsContact CE-CG1 3.44Å; K356-V389 HydrophobicContact CG-CG1 4.3Å; K356-V389 HydrophobicContact CG-CG2 4.09Å; L367-V389 HydrophobicContact CD1-CG2 3.5Å; L367-V389 VanDerWaalsContact CD1-CG2 3.5Å; L367-V389 HydrophobicContact CD2-CG2 4.11Å; L367-V389 HydrophobicContact CG-CG2 4.39Å; R385-V389 HydrophobicContact CG-CG2 4.38Å; R385-V389 WeakPolarHBondContact O-CG2 3.48Å; R385-V389 PolarHBondContact O-N 3Å; V389-I392 PolarHBondContact O-N 3.19Å; V389-S393 WeakPolarHBondContact O-CB 3.48Å; V389-S393 PolarHBondContact O-N 3.34Å; V389-S393 PolarHBondContact O-OG 3.15Å
390Q88.7Confident86.6Confident121 Ų12161.3 Ų61.357%0.56530%0.301SS*.Hα-helixtrans-63-46.1173.4-174.1165.4-0.200110.9D386 F387 I392 S393 D394D386-Q390 PolarHBondContact O-N 2.99Å; F387-Q390 PolarHBondContact O-N 2.97Å; Q390-I392 PolarHBondContact O-N 3.01Å; Q390-S393 CarbonylContact O-C 3.59Å; Q390-S393 WeakPolarHBondContact O-CA 3.47Å; Q390-S393 WeakPolarHBondContact O-CB 3.47Å; Q390-S393 PolarHBondContact O-N 3.24Å; Q390-D394 PolarHBondContact O-N 3.5Å
391R88.9Confident85.3Confident83 Ų8364.7 Ų64.731%0.31332%0.324SS..Hα-helixtrans-55.1-47.8174.5-85.4-78.9146140.5-12.7113.7D305 F387 L388 S393 D394 F395D305-R391 IonicContact OD1-NH1 3.54Å; D305-R391 PolarHBondContact OD1-NH1 3.4Å; D305-R391 IonicContact OD2-NH1 3.73Å; D305-R391 PolarHBondContact OD2-NH1 3.06Å; F387-R391 HydrophobicContact CD1-CG 4.36Å; F387-R391 HydrophobicContact CE1-CG 3.84Å; F387-R391 HydrophobicContact CE2-CG 4.02Å; F387-R391 HydrophobicContact CZ-CG 3.65Å; F387-R391 WeakPolarHBondContact O-CB 3.16Å; F387-R391 PolarHBondContact O-N 3.26Å; L388-R391 WeakPolarHBondContact O-CB 3.19Å; L388-R391 PolarHBondContact O-N 3.08Å; R391-S393 VanDerWaalsContact C-N 3.28Å; R391-S393 PolarHBondContact O-N 3.02Å; R391-D394 PolarHBondContact O-N 2.97Å; R391-F395 WeakPolarHBondContact O-CD2 3.24Å; R391-F395 PolarHBondContact O-N 3.04Å
392I90.2Very high84.2Confident0 Ų065.8 Ų65.80%033%0.325CS..Hα-helixtrans-62-38.8175.6-67.7162.8000110.6V327 I332 L348 V354 L367 L388 V389 Q390 F395 L396V327-I392 HydrophobicContact CG1-CG1 4.24Å; I332-I392 HydrophobicContact CD1-CD1 3.79Å; I332-I392 HydrophobicContact CD1-CG1 3.9Å; I332-I392 HydrophobicContact CD1-CG2 3.89Å; L348-I392 HydrophobicContact CD2-CG2 4.27Å; V354-I392 HydrophobicContact CG1-CG2 4.34Å; V354-I392 HydrophobicContact CG2-CG2 3.96Å; L367-I392 HydrophobicContact CD2-CD1 4.31Å; L388-I392 HydrophobicContact CD1-CD1 3.96Å; L388-I392 HydrophobicContact CD1-CG1 4.44Å; L388-I392 HydrophobicContact CG-CD1 4.08Å; L388-I392 WeakPolarHBondContact O-CG1 3.21Å; L388-I392 PolarHBondContact O-N 3.14Å; V389-I392 PolarHBondContact O-N 3.19Å; Q390-I392 PolarHBondContact O-N 3.01Å; I392-F395 PolarHBondContact O-N 3.29Å; I392-L396 HydrophobicContact CG2-CD1 3.85Å; I392-L396 HydrophobicContact CG2-CG 4.36Å; I392-L396 WeakPolarHBondContact O-CB 3.44Å; I392-L396 VanDerWaalsContact O-CG 3.24Å; I392-L396 WeakPolarHBondContact O-CG 3.45Å; I392-L396 PolarHBondContact O-N 2.78Å
393S90Very high83.1Confident42 Ų4269.2 Ų69.229%0.29434%0.343SS..Hα-helixtrans-66.3-40.8176.3-53.30000112.5V389 Q390 R391 L396 Q397V389-S393 WeakPolarHBondContact O-CB 3.48Å; V389-S393 PolarHBondContact O-N 3.34Å; V389-S393 PolarHBondContact O-OG 3.15Å; Q390-S393 CarbonylContact O-C 3.59Å; Q390-S393 WeakPolarHBondContact O-CA 3.47Å; Q390-S393 WeakPolarHBondContact O-CB 3.47Å; Q390-S393 PolarHBondContact O-N 3.24Å; R391-S393 VanDerWaalsContact C-N 3.28Å; R391-S393 PolarHBondContact O-N 3.02Å; S393-L396 PolarHBondContact O-N 3.4Å; S393-Q397 WeakPolarHBondContact O-CG 3.23Å; S393-Q397 PolarHBondContact O-N 2.92Å; S393-Q397 VanDerWaalsContact O-N 3.1Å
394D89.3Confident82Confident53 Ų5370 Ų7028%0.28334%0.343SS..Hα-helixtrans-60.8-44.7176.5-59.7-27000110.3Q390 R391 Q398Q390-D394 PolarHBondContact O-N 3.5Å; R391-D394 PolarHBondContact O-N 2.97Å; D394-Q398 WeakPolarHBondContact O-CG 3.48Å; D394-Q398 PolarHBondContact O-N 3.34Å
395F89.6Confident80.8Confident19 Ų1969.2 Ų69.28%0.08334%0.338CS..Hα-helixtrans-67.8-43.3176.1-66.5-53.1000112.4D305 V327 T329 L348 R391 I392 Q397 Q398 T399D305-F395 HydrophobicContact CB-CE2 4.18Å; D305-F395 HydrophobicContact CB-CZ 3.86Å; V327-F395 HydrophobicContact CG1-CD2 4.08Å; V327-F395 HydrophobicContact CG1-CE2 3.99Å; T329-F395 HydrophobicContact CG2-CD1 4.37Å; L348-F395 HydrophobicContact CD1-CB 3.61Å; L348-F395 HydrophobicContact CD1-CG 4.43Å; R391-F395 WeakPolarHBondContact O-CD2 3.24Å; R391-F395 PolarHBondContact O-N 3.04Å; I392-F395 PolarHBondContact O-N 3.29Å; F395-Q397 PolarHBondContact O-N 2.99Å; F395-Q398 WeakPolarHBondContact O-CA 3.38Å; F395-Q398 WeakPolarHBondContact O-CB 3.4Å; F395-Q398 PolarHBondContact O-N 2.79Å; F395-T399 PolarHBondContact O-N 2.66Å; F395-T399 PolarHBondContact O-OG1 2.93Å; F395-T399 VanDerWaalsContact O-OG1 3.07Å
396L87.2Confident79.5Confident33 Ų3371 Ų7117%0.17335%0.348CS..Hα-helixtrans-59.7-33.8177.7-75.5168.3000113.1L348 V351 V354 I392 S393 T400L348-L396 HydrophobicContact CB-CD2 3.98Å; L348-L396 HydrophobicContact CD2-CD2 3.99Å; L348-L396 HydrophobicContact CD2-CG 4.23Å; L348-L396 VanDerWaalsContact O-CD2 3.32Å; L348-L396 WeakPolarHBondContact O-CD2 3.48Å; V351-L396 HydrophobicContact CB-CD2 3.93Å; V351-L396 HydrophobicContact CG1-CD1 4.04Å; V351-L396 HydrophobicContact CG1-CD2 4.22Å; V354-L396 HydrophobicContact CG2-CD1 3.74Å; I392-L396 HydrophobicContact CG2-CD1 3.85Å; I392-L396 HydrophobicContact CG2-CG 4.36Å; I392-L396 WeakPolarHBondContact O-CB 3.44Å; I392-L396 VanDerWaalsContact O-CG 3.24Å; I392-L396 WeakPolarHBondContact O-CG 3.45Å; I392-L396 PolarHBondContact O-N 2.78Å; S393-L396 PolarHBondContact O-N 3.4Å; L396-T400 VanDerWaalsContact O-CB 3.29Å; L396-T400 WeakPolarHBondContact O-CB 3.45Å; L396-T400 PolarHBondContact O-N 2.92Å; L396-T400 PolarHBondContact O-OG1 3.33Å
397Q84.8Confident78.1Confident129 Ų12976.7 Ų76.760%0.60336%0.364SS*.Hα-helixtrans-64.5-47171.9-71172.729.100111S393 F395 T400 S401S393-Q397 WeakPolarHBondContact O-CG 3.23Å; S393-Q397 PolarHBondContact O-N 2.92Å; S393-Q397 VanDerWaalsContact O-N 3.1Å; F395-Q397 PolarHBondContact O-N 2.99Å; Q397-T400 PolarHBondContact O-N 3.46Å; Q397-S401 PolarHBondContact O-N 2.77Å; Q397-S401 PolarHBondContact O-OG 3.15Å
398Q82.9Confident76.4Confident110 Ų11077.1 Ų77.151%0.51437%0.368SS..Hα-helixtrans-62.8-47178.5-65.7169.626.100112.5D394 F395 T400 S401 K402D394-Q398 WeakPolarHBondContact O-CG 3.48Å; D394-Q398 PolarHBondContact O-N 3.34Å; F395-Q398 WeakPolarHBondContact O-CA 3.38Å; F395-Q398 WeakPolarHBondContact O-CB 3.4Å; F395-Q398 PolarHBondContact O-N 2.79Å; Q398-T400 VanDerWaalsContact C-N 3.35Å; Q398-T400 PolarHBondContact O-N 2.99Å; Q398-S401 PolarHBondContact O-N 3.32Å; Q398-K402 PolarHBondContact O-N 3.35Å
399T78.3Confident74.7Confident13 Ų1382 Ų828%0.0839%0.393CS..Hα-helixtrans-59.6-45.2177.2-48.60000110.9R349 F395 K402 I403R349-T399 HydrophobicContact CB-CG2 4.3Å; F395-T399 PolarHBondContact O-N 2.66Å; F395-T399 PolarHBondContact O-OG1 2.93Å; F395-T399 VanDerWaalsContact O-OG1 3.07Å; T399-K402 PolarHBondContact O-N 2.97Å; T399-I403 HydrophobicContact CG2-CD1 4Å; T399-I403 WeakPolarHBondContact O-CG1 3.32Å; T399-I403 PolarHBondContact O-N 2.76Å; T399-I403 VanDerWaalsContact O-N 3.15Å
400T72.9Confident72.7Confident72 Ų7286 Ų8644%0.44241%0.414SS..Hα-helixtrans-61-48.6176.7-63.90000111.4L396 Q397 Q398 K402 I403 Y404L396-T400 VanDerWaalsContact O-CB 3.29Å; L396-T400 WeakPolarHBondContact O-CB 3.45Å; L396-T400 PolarHBondContact O-N 2.92Å; L396-T400 PolarHBondContact O-OG1 3.33Å; Q397-T400 PolarHBondContact O-N 3.46Å; Q398-T400 VanDerWaalsContact C-N 3.35Å; Q398-T400 PolarHBondContact O-N 2.99Å; T400-K402 VanDerWaalsContact C-N 3.33Å; T400-K402 PolarHBondContact O-N 3.19Å; T400-I403 PolarHBondContact O-N 2.86Å; T400-Y404 HydrophobicContact CG2-CD2 3.77Å; T400-Y404 HydrophobicContact CG2-CE2 3.74Å; T400-Y404 WeakPolarHBondContact O-CD2 3.48Å; T400-Y404 PolarHBondContact O-N 3.39Å
401S65.1Low70.3Confident72 Ų7282.3 Ų82.350%0.50341%0.408SS..Hα-helixtrans-59.8-39.8178.6-66.70000113.2Q397 Q398 Y404 L405Q397-S401 PolarHBondContact O-N 2.77Å; Q397-S401 PolarHBondContact O-OG 3.15Å; Q398-S401 PolarHBondContact O-N 3.32Å; S401-Y404 PolarHBondContact O-N 3.04Å; S401-L405 WeakPolarHBondContact O-CG 3.3Å; S401-L405 PolarHBondContact O-N 3.34Å; S401-L405 VanDerWaalsContact O-N 3.13Å
402K67.8Low67.9Low107 Ų10783 Ų8347%0.46543%0.426SS..Hα-helixtrans-62.1-47.2176.6-171.9173.2-174.8-75.10111.6Q398 T399 T400 Y404 L405 E406Q398-K402 PolarHBondContact O-N 3.35Å; T399-K402 PolarHBondContact O-N 2.97Å; T400-K402 VanDerWaalsContact C-N 3.33Å; T400-K402 PolarHBondContact O-N 3.19Å; K402-Y404 VanDerWaalsContact C-N 3.32Å; K402-Y404 PolarHBondContact O-N 3.43Å; K402-L405 PolarHBondContact O-N 3.04Å; K402-E406 WeakPolarHBondContact CE-OE1 3.5Å; K402-E406 IonicContact NZ-OE1 3.4Å; K402-E406 PolarHBondContact NZ-OE1 3.18Å; K402-E406 IonicContact NZ-OE2 3.76Å; K402-E406 WeakPolarHBondContact O-CG 3.48Å; K402-E406 PolarHBondContact O-N 3.37Å
403I66.6Low65.3Low75 Ų7590 Ų9039%0.38546%0.462SS..Hα-helixtrans-63.1-35.8179-67.5167.1000112R349 T399 T400 R407R349-I403 HydrophobicContact CB-CD1 4.1Å; T399-I403 HydrophobicContact CG2-CD1 4Å; T399-I403 WeakPolarHBondContact O-CG1 3.32Å; T399-I403 PolarHBondContact O-N 2.76Å; T399-I403 VanDerWaalsContact O-N 3.15Å; T400-I403 PolarHBondContact O-N 2.86Å; I403-R407 WeakPolarHBondContact O-CB 3.49Å; I403-R407 PolarHBondContact O-N 3.36Å
404Y59.1Low62.8Low155 Ų15595.3 Ų95.361%0.60849%0.487SS*.Hα-helixtrans-66.7-46.8174.5-89.9-80.1000112.1T400 S401 K402 E406 R407 E408T400-Y404 HydrophobicContact CG2-CD2 3.77Å; T400-Y404 HydrophobicContact CG2-CE2 3.74Å; T400-Y404 WeakPolarHBondContact O-CD2 3.48Å; T400-Y404 PolarHBondContact O-N 3.39Å; S401-Y404 PolarHBondContact O-N 3.04Å; K402-Y404 VanDerWaalsContact C-N 3.32Å; K402-Y404 PolarHBondContact O-N 3.43Å; Y404-E406 PolarHBondContact O-N 3.14Å; Y404-R407 PolarHBondContact O-N 3.31Å; Y404-R407 VanDerWaalsContact O-N 3.15Å; Y404-E408 PolarHBondContact O-N 3.06Å
405L58.7Low60.1Low104 Ų10497.8 Ų97.855%0.54551%0.509SS..Hα-helixtrans-62.3-44179.3-72.9166.9000112.5S401 K402 R407 E408 L409S401-L405 WeakPolarHBondContact O-CG 3.3Å; S401-L405 PolarHBondContact O-N 3.34Å; S401-L405 VanDerWaalsContact O-N 3.13Å; K402-L405 PolarHBondContact O-N 3.04Å; L405-R407 PolarHBondContact O-N 3.09Å; L405-E408 PolarHBondContact O-N 3.24Å; L405-L409 PolarHBondContact O-N 3.4Å
406E58.5Low57.3Low73 Ų73101.8 Ų101.834%0.34154%0.54SS..Hα-helixtrans-61.1-34.1175.7-72167.6167.200111.8K402 Y404 N410K402-E406 WeakPolarHBondContact CE-OE1 3.5Å; K402-E406 IonicContact NZ-OE1 3.4Å; K402-E406 PolarHBondContact NZ-OE1 3.18Å; K402-E406 IonicContact NZ-OE2 3.76Å; K402-E406 WeakPolarHBondContact O-CG 3.48Å; K402-E406 PolarHBondContact O-N 3.37Å; Y404-E406 PolarHBondContact O-N 3.14Å; E406-N410 WeakPolarHBondContact O-CB 3.14Å; E406-N410 PolarHBondContact O-N 3.15Å; E406-N410 VanDerWaalsContact O-N 3.08Å; E406-N410 PolarHBondContact O-OD1 3.02Å
407R57.3Low54.7Low197 Ų197107.8 Ų107.874%0.74357%0.572SS**Hα-helixtrans-76.4-31.2177.4-162.3174.9-165.3169.95.7113.4I403 Y404 L405 G411I403-R407 WeakPolarHBondContact O-CB 3.49Å; I403-R407 PolarHBondContact O-N 3.36Å; Y404-R407 PolarHBondContact O-N 3.31Å; Y404-R407 VanDerWaalsContact O-N 3.15Å; L405-R407 PolarHBondContact O-N 3.09Å; R407-G411 WeakPolarHBondContact O-CA 3.33Å; R407-G411 PolarHBondContact O-N 3.18Å
408E52.4Low52Low132 Ų132109.6 Ų109.662%0.61759%0.585SS**Hα-helixtrans-70.4-44.4172.5-72.9-179158.800111.3Y404 L405 G411 S412Y404-E408 PolarHBondContact O-N 3.06Å; L405-E408 PolarHBondContact O-N 3.24Å; E408-G411 PolarHBondContact O-N 3.23Å; E408-S412 WeakPolarHBondContact O-CB 3.28Å; E408-S412 PolarHBondContact O-N 3.04Å
409L51.3Low49.7Very low124 Ų124112.7 Ų112.765%0.64960%0.6SS**Hα-helixtrans-58.4-51.2174.6-90.2145.7000112.1L405 G411 S412L405-L409 PolarHBondContact O-N 3.4Å; L409-G411 VanDerWaalsContact C-N 3.34Å; L409-G411 PolarHBondContact O-N 3.31Å; L409-S412 PolarHBondContact O-N 2.99Å
410N46.6Very low47.4Very low93 Ų93117.4 Ų117.450%0.49763%0.629SS.*Hα-helixtrans-72.7-27.8179.8-69.114.4000112.5E406E406-N410 WeakPolarHBondContact O-CB 3.14Å; E406-N410 PolarHBondContact O-N 3.15Å; E406-N410 VanDerWaalsContact O-N 3.08Å; E406-N410 PolarHBondContact O-OD1 3.02Å
411G39.8Very low45.3Very low42 Ų42124.5 Ų124.543%0.43365%0.649SS.*Hα-helixtrans-70-33.2174.300000113.3R407 E408 L409 L413 N414R407-G411 WeakPolarHBondContact O-CA 3.33Å; R407-G411 PolarHBondContact O-N 3.18Å; E408-G411 PolarHBondContact O-N 3.23Å; L409-G411 VanDerWaalsContact C-N 3.34Å; L409-G411 PolarHBondContact O-N 3.31Å; G411-L413 PolarHBondContact O-N 3.47Å; G411-N414 PolarHBondContact O-N 3.26Å
412S37.6Very low43.9Very low97 Ų97125.9 Ų125.968%0.67866%0.658SS**THydrogen-bonded Turntrans-69.3-12.1-177.5-170.40000114.7E408 L409E408-S412 WeakPolarHBondContact O-CB 3.28Å; E408-S412 PolarHBondContact O-N 3.04Å; L409-S412 PolarHBondContact O-N 2.99Å
413L36.3Very low41.9Very low148 Ų148130.1 Ų130.178%0.77568%0.679SS**THydrogen-bonded Turntrans-91.7-20.2178.5-78164.1000113.6G411G411-L413 PolarHBondContact O-N 3.47Å
414N36.9Very low40Very low153 Ų153135.7 Ų135.782%0.81870%0.704SS**SBendtrans-117.554.4-176.7-75.7-24.9000111.7G411G411-N414 PolarHBondContact O-N 3.26Å
415S33.3Very low38.5Very low105 Ų105132 Ų13273%0.73471%0.712SS**  trans-128.385.9-177.5176.30000112.6
416S30.2Very low36.8Very low104 Ų104133 Ų13373%0.72773%0.728SS**  trans-138.8113.7157620000110
417D32.3Very low35.5Very low159 Ų159136.3 Ų136.385%0.8575%0.747SS**  trans42.999.3159.5-52.1-15.4000118.4
418D29.3Very low34Very low166 Ų166135.3 Ų135.389%0.88876%0.756SS**  -156.8150.294.1-132.7-20.1000111.6
419E33.8Very low32.7Very low175 Ų175133.9 Ų133.982%0.81876%0.761SS**  trans-95.6175.2175-89-153.714700112.4
420V30.6Very low31.4Very low113 Ų113133.9 Ų133.969%0.68577%0.77SS**  trans108.5127.2147.9-173.60000117.9
421Y29Very low30.2Very low220 Ų220134 Ų13486%0.86378%0.777SS**  trans68.8115.9172.1-70.7-54.9000121
422S34.9Very low29.9Very low101 Ų101138.4 Ų138.471%0.70680%0.798SS**  trans-81.9148.1165.852.50000112.6
423H25.8Very low29.3Very low196 Ų196142.7 Ų142.791%0.90781%0.808SS**  trans-156.4159147.5-104.1-66.7000111.8
424H26.8Very low29.1Very low193 Ų193144.8 Ų144.889%0.89481%0.814SS**  trans-75.2128.8-173.4-90.3-90.2000114.1
425G27.1Very low28.5Very low76 Ų76143.8 Ų143.878%0.78481%0.813SS**  trans32.2129136.800000122
426S24.2Very low28.2Very low126 Ų126146.9 Ų146.988%0.88182%0.82SS**  trans-140.6162.8148.7-166.60000110.8
427L30.6Very low28.3Very low142 Ų142146.9 Ų146.974%0.74383%0.827SS**  trans-89.6128.8-176.9-67.1149.2000110.5S429L427-S429 PolarHBondContact O-N 3.16Å
428L25.1Very low27.9Very low177 Ų177143.8 Ų143.893%0.92782%0.818SS**  trans-88.192.1164.1-75.1177.2000110.1
429S24.5Very low28.2Very low102 Ų102144.1 Ų144.171%0.71382%0.82SS**  trans-79.7108.5164.9176.50000108.9L427 S431L427-S429 PolarHBondContact O-N 3.16Å; S429-S431 PolarHBondContact O-N 3.26Å
430C24.1Very low27.9Very low124 Ų124142.6 Ų142.684%0.83882%0.816SS**  trans-63128.7173.4-70.20000110.6
431S22.8Very low27.9Very low94 Ų94146.2 Ų146.266%0.65783%0.825SS**  trans-151.2128.3171.5-710000108.2S429S429-S431 PolarHBondContact O-N 3.26Å
432P33.5Very low27.8Very low135 Ų135146.8 Ų146.888%0.87783%0.826SS**  trans-76.9128.9-172.129.9-33.9000111
433Q25Very low27.4Very low187 Ų187148.1 Ų148.187%0.87483%0.829SS**  trans-115.9135.6160.2-74.5-165.5-26.100109.7
434Q32.1Very low27.7Very low193 Ų193146.2 Ų146.290%0.90282%0.819SS**  trans-79.4136.3177.5-63.4166-46.200109.7
435T24.4Very low27.8Very low132 Ų132144.6 Ų144.681%0.8182%0.817SS**  trans-125.5143.4162.348.40000109.3
436L26.8Very low28Very low169 Ų169148.4 Ų148.489%0.88582%0.818SS**  trans-69.4161.3-169.4-81.469.5000112.8
437A31.4Very low28.3Very low104 Ų104149.6 Ų149.686%0.8682%0.815SS**  trans-72.4145.5174.600000112.6
438S24Very low28.3Very low95 Ų95149.6 Ų149.666%0.66482%0.815SS**  trans-153.3127.6158.859.50000108.1I440S438-I440 PolarHBondContact O-N 2.93Å
439D35.7Very low28.8Very low173 Ų173149.5 Ų149.593%0.92582%0.816SS**  trans-65.2121.1-175.3-55.5-76.4000112.2
440I26.9Very low29.7Very low143 Ų143147.6 Ų147.673%0.73380%0.803SS**  trans-141.3123.3167.3-59.5-177.1000108.4S438 R442S438-I440 PolarHBondContact O-N 2.93Å; I440-R442 PolarHBondContact O-N 2.94Å
441E32.1Very low30.8Very low189 Ų189143 Ų14388%0.88377%0.771SS**  trans-62.6120.4170.8-62.5172.5119.400109.7T443E441-T443 PolarHBondContact O-N 2.85Å
442R26.8Very low32.4Very low232 Ų232143.7 Ų143.788%0.87577%0.773SS**  trans-8798.4177.1-78.4-172.1173.2-178-1.8111I440I440-R442 PolarHBondContact O-N 2.94Å
443T26.9Very low34Very low128 Ų128140.2 Ų140.279%0.78575%0.749SS**  trans-57.8136.9164.5-26.90000110.3E441 N445E441-T443 PolarHBondContact O-N 2.85Å; T443-N445 PolarHBondContact O-N 3.46Å
444F31.9Very low36.1Very low157 Ų157131.8 Ų131.869%0.68971%0.712SS**  trans-70.3126.8171.9-72.1-97.7000110.2L446 M573F444-L446 PolarHBondContact O-N 2.98Å; F444-M573 HydrophobicContact CE1-CE 4.27Å; F444-M573 HydrophobicContact CZ-CE 4.11Å; F444-M573 HydrophobicContact CZ-SD 4.46Å
445N28.1Very low37.7Very low158 Ų158126.9 Ų126.985%0.84570%0.699SS**  trans-78.3114.4170.2-79.1-27.6000109.4T443 N447T443-N445 PolarHBondContact O-N 3.46Å; N445-N447 PolarHBondContact O-N 3.4Å
446L32.2Very low40Very low156 Ų156125.4 Ų125.482%0.81768%0.683SS**  trans-97.740.5-176.9-72.6164.8000112.3F444F444-L446 PolarHBondContact O-N 2.98Å
447N30Very low42.3Very low152 Ų152118.1 Ų118.181%0.81365%0.647SS**  trans-116-2.6-165.8-103.254.3000115.9N445N445-N447 PolarHBondContact O-N 3.4Å
448D31Very low44.4Very low141 Ų141113.3 Ų113.375%0.75461%0.606SS**SBendtrans-105.3140.9167.5-70.7-59.3000109.4S450D448-S450 PolarHBondContact O-N 2.93Å
449N34.2Very low46.8Very low176 Ų176109.4 Ų109.494%0.94158%0.578SS**  trans-77.7-3.6-177.2-78.4-32.1000114
450S43.6Very low48.4Very low62 Ų62104.8 Ų104.843%0.43456%0.556SS.*SBendtrans-65.3144.2176.552.70000112.3D448 E538D448-S450 PolarHBondContact O-N 2.93Å; S450-E538 WeakPolarHBondContact CB-OE1 3.02Å
451V47.7Very low50Low28 Ų28101.7 Ų101.717%0.1754%0.539CS..  trans-61.4129.7175.6-1800000110.1T453 V541 E542 M545V451-T453 PolarHBondContact O-N 3.35Å; V451-V541 HydrophobicContact CG1-CG1 4.07Å; V451-E542 HydrophobicContact CG2-CG 4.16Å; V451-M545 HydrophobicContact CG1-SD 3.89Å; V451-M545 HydrophobicContact CG2-SD 4.35Å
452P56Low51.4Low107 Ų10795.7 Ų95.770%0.69551%0.509SS*.  trans-7290.1-176.327.1-34.8000112.6R580P452-R580 VanDerWaalsContact O-CZ 3.25Å; P452-R580 PolarHBondContact O-NH1 3.44Å; P452-R580 PolarHBondContact O-NH2 2.8Å; P452-R580 VanDerWaalsContact O-NH2 3.11Å
453T67.7Low52.8Low62 Ų6290 Ų9038%0.3849%0.488SS..  trans-82.6154.2171.955.10000112.7V451 S455 Y537 E611V451-T453 PolarHBondContact O-N 3.35Å; T453-S455 PolarHBondContact O-N 2.99Å; T453-Y537 HydrophobicContact CG2-CE1 4.24Å; T453-E611 WeakPolarHBondContact CA-OE2 3.22Å
454A68.6Low53.6Low11 Ų1195.3 Ų95.39%0.09149%0.494CS..  trans-75.2107.5176.400000111.8A577 E611A454-A577 HydrophobicContact CB-CB 4.49Å; A454-E611 HydrophobicContact CB-CB 4.31Å; A454-E611 PolarHBondContact N-OE2 2.69Å; A454-E611 PolarHBondContact O-N 3.46Å
455S66.4Low54Low90 Ų9099.2 Ų99.263%0.62950%0.503SS*.  trans-82-9.8-176.153.70000115.2T453 K610T453-S455 PolarHBondContact O-N 2.99Å; S455-K610 VanDerWaalsContact O-CD 3.3Å; S455-K610 WeakPolarHBondContact O-CD 3.43Å
456E72.6Confident54.3Low101 Ų10196.7 Ų96.747%0.47250%0.499SS..SBendtrans-125.9157.8167.6-59.7-172.6-16400110.3T460 M461E456-T460 WeakPolarHBondContact CB-OG1 3.47Å; E456-T460 WeakPolarHBondContact OE2-CB 3.32Å; E456-T460 PolarHBondContact OE2-OG1 3.32Å; E456-M461 HydrophobicContact CB-CE 3.84Å
457A75.3Confident54.7Low15 Ų1594.6 Ų94.612%0.12449%0.494CS..  trans-67141.4174.400000111M459 T460 A609A457-M459 PolarHBondContact O-N 3.1Å; A457-T460 PolarHBondContact O-N 3.31Å; A457-T460 PolarHBondContact O-OG1 2.98Å; A457-A609 WeakPolarHBondContact CA-O 3.39Å; A457-A609 WeakPolarHBondContact CB-O 3.43Å
458L74.8Confident55.5Low3 Ų396.6 Ų96.62%0.01650%0.499CS..Hα-helixtrans-60.5-26.7-168.4-61.1175.2000113.4T460 M461 Y462 A568 F569 L606 L607L458-T460 VanDerWaalsContact C-N 3.32Å; L458-T460 PolarHBondContact O-N 3.37Å; L458-M461 PolarHBondContact O-N 2.71Å; L458-Y462 HydrophobicContact CB-CD2 4.31Å; L458-Y462 HydrophobicContact CB-CE2 4.47Å; L458-Y462 HydrophobicContact CD2-CE2 4.31Å; L458-Y462 VanDerWaalsContact O-CD2 3.24Å; L458-Y462 WeakPolarHBondContact O-CD2 3.38Å; L458-Y462 PolarHBondContact O-N 3.36Å; L458-Y462 VanDerWaalsContact O-N 3.14Å; L458-A568 HydrophobicContact CB-CB 4.02Å; L458-A568 HydrophobicContact CD1-CB 4.18Å; L458-F569 HydrophobicContact CD1-CE1 3.91Å; L458-F569 HydrophobicContact CD1-CZ 3.85Å; L458-L606 WeakPolarHBondContact CB-O 3.5Å; L458-L606 HydrophobicContact CD1-CB 3.92Å; L458-L606 WeakPolarHBondContact CG-O 3.29Å; L458-L606 PolarHBondContact N-O 3.3Å; L458-L607 HydrophobicContact CB-CD2 4.15Å
459M73.8Confident56.1Low13 Ų1398.4 Ų98.46%0.06450%0.502CS..Hα-helixtrans-67.9-22.9175.9-70.5-66.8-79.400114.7A457 R463 H566 L607 Y608 L743A457-M459 PolarHBondContact O-N 3.1Å; M459-R463 WeakPolarHBondContact O-CB 3.41Å; M459-R463 PolarHBondContact O-N 3.41Å; M459-H566 PolarHBondContact SD-NE2 3.1Å; M459-H566 VanDerWaalsContact SD-NE2 3.43Å; M459-L607 WeakPolarHBondContact CB-O 3.37Å; M459-L607 HydrophobicContact CG-CB 3.71Å; M459-L607 HydrophobicContact CG-CD2 4.11Å; M459-L607 HydrophobicContact CG-CG 4.38Å; M459-L607 WeakPolarHBondContact CG-O 3.23Å; M459-L607 PolarHBondContact N-O 3.41Å; M459-L607 HydrophobicContact SD-CD2 4.12Å; M459-Y608 HydrophobicContact CG-CE1 4.49Å; M459-L743 HydrophobicContact CE-CD1 3.43Å; M459-L743 VanDerWaalsContact CE-CD1 3.43Å; M459-L743 HydrophobicContact CE-CD2 3.74Å; M459-L743 HydrophobicContact CE-CG 4.25Å
460T69.9Low56.8Low77 Ų7799.4 Ų99.447%0.47250%0.499SS..Hα-helixtrans-72.3-36173.366.40000110.9E456 A457 L458E456-T460 WeakPolarHBondContact CB-OG1 3.47Å; E456-T460 WeakPolarHBondContact OE2-CB 3.32Å; E456-T460 PolarHBondContact OE2-OG1 3.32Å; A457-T460 PolarHBondContact O-N 3.31Å; A457-T460 PolarHBondContact O-OG1 2.98Å; L458-T460 VanDerWaalsContact C-N 3.32Å; L458-T460 PolarHBondContact O-N 3.37Å
461M59.9Low57.8Low77 Ų7799.4 Ų99.438%0.37949%0.494SS..Hα-helixtrans-74.2-40.1-178.7-56.9-168.9-174.100113.1E456 L458E456-M461 HydrophobicContact CB-CE 3.84Å; L458-M461 PolarHBondContact O-N 2.71Å
462Y61.1Low58.9Low63 Ų63102.6 Ų102.625%0.24752%0.515CS..Hα-helixtrans-99.5-5.2-170.9-65.7-69.1000115.9L458 R464 A568 N571L458-Y462 HydrophobicContact CB-CD2 4.31Å; L458-Y462 HydrophobicContact CB-CE2 4.47Å; L458-Y462 HydrophobicContact CD2-CE2 4.31Å; L458-Y462 VanDerWaalsContact O-CD2 3.24Å; L458-Y462 WeakPolarHBondContact O-CD2 3.38Å; L458-Y462 PolarHBondContact O-N 3.36Å; L458-Y462 VanDerWaalsContact O-N 3.14Å; Y462-R464 PolarHBondContact O-N 3.01Å; Y462-A568 HydrophobicContact CD2-CB 3.48Å; Y462-A568 VanDerWaalsContact CD2-CB 3.48Å; Y462-A568 HydrophobicContact CE2-CB 3.79Å; Y462-A568 HydrophobicContact CG-CB 4.27Å; Y462-N571 HydrophobicContact CE1-CB 4.35Å; Y462-N571 WeakPolarHBondContact OH-CB 3.48Å; Y462-N571 PolarHBondContact OH-ND2 3.18Å; Y462-N571 VanDerWaalsContact OH-ND2 3.1Å
463R58.2Low59.9Low113 Ų113100.8 Ų100.843%0.42650%0.496SS..  trans-71.196.1177.9-172.5-169.3-79.3139.5-12.2111.4M459 R465 E513M459-R463 WeakPolarHBondContact O-CB 3.41Å; M459-R463 PolarHBondContact O-N 3.41Å; R463-R465 PolarHBondContact O-N 3.25Å; R463-E513 IonicContact CZ-OE2 3.81Å; R463-E513 IonicContact NH2-OE2 3.98Å; R463-E513 PolarHBondContact NH2-OE2 3.4Å
464R43.3Very low60.4Low240 Ų240102.6 Ų102.691%0.90650%0.503SS*.  trans-53.7107.6168.9-76.9-173179.5173.62110.7Y462 S466Y462-R464 PolarHBondContact O-N 3.01Å; R464-S466 PolarHBondContact O-N 2.94Å
465R39.3Very low61Low238 Ų238104 Ų10490%0.89852%0.515SS*.  trans-76.6100.4168.5-68.2-176.2-179.4-179.21.2109.8R463R463-R465 PolarHBondContact O-N 3.25Å
466S36Very low61.8Low106 Ų106103.6 Ų103.674%0.74150%0.502SS*.  trans-68.5135.715852.30000109.5R464R464-S466 PolarHBondContact O-N 2.94Å
467P39.6Very low62.5Low111 Ų11199.6 Ų99.672%0.72148%0.483SS*.  trans-66138.2178.6-21.533.5000113.5E469P467-E469 PolarHBondContact O-N 3.09Å
468E46.3Very low63Low195 Ų195104.8 Ų104.891%0.91150%0.503SS*.  trans5648.4136.3-56.1-174.8160.300119.6
469E44.1Very low63.8Low178 Ų178110.3 Ų110.383%0.83253%0.532SS*.  trans-121.2144.4154-73.4-160.9152.500112.6P467 N471P467-E469 PolarHBondContact O-N 3.09Å; E469-N471 VanDerWaalsContact C-N 3.29Å; E469-N471 PolarHBondContact O-N 2.8Å
470F49.5Very low64.6Low198 Ų198110.7 Ų110.787%0.86853%0.533SS*.  trans-79.770-171-156.7-85.5000111.9P472F470-P472 WeakPolarHBondContact O-CD 3.45Å
471N64.6Low65.7Low61 Ų61109.3 Ų109.333%0.32652%0.522SS..  trans-68.4120.5-174.1-175.9-13.6000112.4E469 K473 L474 A475E469-N471 VanDerWaalsContact C-N 3.29Å; E469-N471 PolarHBondContact O-N 2.8Å; N471-K473 PolarHBondContact O-N 3.33Å; N471-K473 VanDerWaalsContact O-N 3.09Å; N471-K473 VanDerWaalsContact OD1-CB 3.31Å; N471-K473 WeakPolarHBondContact OD1-CB 3.35Å; N471-K473 PolarHBondContact OD1-N 2.8Å; N471-L474 HydrophobicContact CB-CD1 4.05Å; N471-L474 HydrophobicContact CB-CG 4.12Å; N471-L474 WeakPolarHBondContact O-CB 3.32Å; N471-L474 PolarHBondContact O-N 3.08Å; N471-A475 PolarHBondContact O-N 2.9Å
472P70.7Confident67.4Low95 Ų95109.2 Ų109.262%0.61752%0.52SS*.Hα-helixtrans-57.4-24.5177.4-26.535.9000114.9F470 A475 K476F470-P472 WeakPolarHBondContact O-CD 3.45Å; P472-A475 PolarHBondContact O-N 2.74Å; P472-K476 PolarHBondContact O-N 2.81Å; P472-K476 VanDerWaalsContact O-N 3.16Å
473K76.8Confident69Low69 Ų69107.9 Ų107.930%0.352%0.522SS..Hα-helixtrans-67.9-40.1175.3-64.9168.6150.2-150.90111.9N471 A475 K476 E477 S741 T742N471-K473 PolarHBondContact O-N 3.33Å; N471-K473 VanDerWaalsContact O-N 3.09Å; N471-K473 VanDerWaalsContact OD1-CB 3.31Å; N471-K473 WeakPolarHBondContact OD1-CB 3.35Å; N471-K473 PolarHBondContact OD1-N 2.8Å; K473-A475 VanDerWaalsContact C-N 3.29Å; K473-A475 PolarHBondContact O-N 2.86Å; K473-K476 WeakPolarHBondContact O-CB 3.48Å; K473-K476 PolarHBondContact O-N 2.77Å; K473-K476 VanDerWaalsContact O-N 3.13Å; K473-E477 PolarHBondContact O-N 2.85Å; K473-E477 VanDerWaalsContact O-N 3.09Å; K473-S741 WeakPolarHBondContact CD-O 3.42Å; K473-S741 WeakPolarHBondContact CE-O 3.21Å; K473-S741 PolarHBondContact NZ-O 3.22Å; K473-T742 HydrophobicContact CB-CG2 4.17Å
474L78.6Confident70.8Confident100 Ų100102.6 Ų102.652%0.52450%0.502SS..Hα-helixtrans-64.2-36.1174.5-66175000111.5N471 K476 E477 F478 T742N471-L474 HydrophobicContact CB-CD1 4.05Å; N471-L474 HydrophobicContact CB-CG 4.12Å; N471-L474 WeakPolarHBondContact O-CB 3.32Å; N471-L474 PolarHBondContact O-N 3.08Å; L474-K476 VanDerWaalsContact C-N 3.34Å; L474-E477 PolarHBondContact O-N 2.83Å; L474-F478 PolarHBondContact O-N 2.9Å; L474-T742 HydrophobicContact CD2-CG2 3.98Å
475A81Confident73.3Confident41 Ų4195.3 Ų95.334%0.33948%0.477SS..Hα-helixtrans-64.9-35.9173.700000112.4N471 P472 K473 L479N471-A475 PolarHBondContact O-N 2.9Å; P472-A475 PolarHBondContact O-N 2.74Å; K473-A475 VanDerWaalsContact C-N 3.29Å; K473-A475 PolarHBondContact O-N 2.86Å; A475-L479 VanDerWaalsContact O-CG 3.28Å; A475-L479 WeakPolarHBondContact O-CG 3.44Å; A475-L479 PolarHBondContact O-N 3.22Å; A475-L479 VanDerWaalsContact O-N 3.08Å
476K82.9Confident75.9Confident81 Ų8188 Ų8835%0.35246%0.456SS..Hα-helixtrans-65.1-46.9173.2-69.4-176.9-179.6-179.80112.3P472 K473 L474 F478 L479 K480 K739 D740P472-K476 PolarHBondContact O-N 2.81Å; P472-K476 VanDerWaalsContact O-N 3.16Å; K473-K476 WeakPolarHBondContact O-CB 3.48Å; K473-K476 PolarHBondContact O-N 2.77Å; K473-K476 VanDerWaalsContact O-N 3.13Å; L474-K476 VanDerWaalsContact C-N 3.34Å; K476-F478 VanDerWaalsContact C-N 3.34Å; K476-F478 PolarHBondContact O-N 2.74Å; K476-L479 PolarHBondContact O-N 3.44Å; K476-L479 VanDerWaalsContact O-N 3.15Å; K476-K480 PolarHBondContact O-N 2.91Å; K476-K739 PolarHBondContact NZ-O 2.87Å; K476-D740 HydrophobicContact CD-CB 4.18Å; K476-D740 WeakPolarHBondContact CD-OD1 3.28Å; K476-D740 WeakPolarHBondContact CE-OD1 3.15Å; K476-D740 IonicContact NZ-OD1 3.68Å; K476-D740 PolarHBondContact NZ-OD1 3.47Å
477E86.3Confident78.8Confident17 Ų1783.3 Ų83.38%0.07942%0.422CS..Hα-helixtrans-60.6-42.3177-72.9-59.1108.400111.8K473 L474 L479 K480 E481 P512 E513 T742K473-E477 PolarHBondContact O-N 2.85Å; K473-E477 VanDerWaalsContact O-N 3.09Å; L474-E477 PolarHBondContact O-N 2.83Å; E477-L479 VanDerWaalsContact C-N 3.32Å; E477-L479 PolarHBondContact O-N 3.33Å; E477-K480 WeakPolarHBondContact O-CB 3.3Å; E477-K480 PolarHBondContact O-N 2.91Å; E477-K480 VanDerWaalsContact O-N 3.14Å; E477-K480 WeakPolarHBondContact OE1-CD 3.31Å; E477-K480 WeakPolarHBondContact OE1-CE 3.47Å; E477-K480 IonicContact OE1-NZ 2.71Å; E477-K480 PolarHBondContact OE1-NZ 2.98Å; E477-E481 PolarHBondContact O-N 2.93Å; E477-P512 WeakPolarHBondContact OE2-CA 3.44Å; E477-E513 PolarHBondContact OE2-N 3.15Å; E477-T742 HydrophobicContact CG-CG2 3.58Å
478F87.1Confident81.4Confident124 Ų12478.9 Ų78.954%0.54439%0.392SS..Hα-helixtrans-60-39.4173.9179-97.7000112.9L474 K476 E481 Q482L474-F478 PolarHBondContact O-N 2.9Å; K476-F478 VanDerWaalsContact C-N 3.34Å; K476-F478 PolarHBondContact O-N 2.74Å; F478-E481 PolarHBondContact O-N 3.46Å; F478-Q482 PolarHBondContact O-N 3.46Å
479L90.2Very high83.6Confident119 Ų11975.5 Ų75.562%0.62339%0.385SS*.Hα-helixtrans-66.8-35.6175.1-71.7169.7000112.4A475 K476 E477 A483A475-L479 VanDerWaalsContact O-CG 3.28Å; A475-L479 WeakPolarHBondContact O-CG 3.44Å; A475-L479 PolarHBondContact O-N 3.22Å; A475-L479 VanDerWaalsContact O-N 3.08Å; K476-L479 PolarHBondContact O-N 3.44Å; K476-L479 VanDerWaalsContact O-N 3.15Å; E477-L479 VanDerWaalsContact C-N 3.32Å; E477-L479 PolarHBondContact O-N 3.33Å; L479-A483 WeakPolarHBondContact O-CB 3.43Å; L479-A483 PolarHBondContact O-N 2.95Å
480K92Very high85.9Confident22 Ų2271.8 Ų71.810%0.09637%0.367CS..Hα-helixtrans-65.2-47.3171.8-64.4174.3-171.5165.50110.9K476 E477 Q482 A483 W484 K509 P512 D740K476-K480 PolarHBondContact O-N 2.91Å; E477-K480 WeakPolarHBondContact O-CB 3.3Å; E477-K480 PolarHBondContact O-N 2.91Å; E477-K480 VanDerWaalsContact O-N 3.14Å; E477-K480 WeakPolarHBondContact OE1-CD 3.31Å; E477-K480 WeakPolarHBondContact OE1-CE 3.47Å; E477-K480 IonicContact OE1-NZ 2.71Å; E477-K480 PolarHBondContact OE1-NZ 2.98Å; K480-Q482 VanDerWaalsContact C-N 3.32Å; K480-Q482 PolarHBondContact O-N 3.16Å; K480-A483 WeakPolarHBondContact O-CB 3.33Å; K480-A483 PolarHBondContact O-N 2.85Å; K480-A483 VanDerWaalsContact O-N 3.16Å; K480-W484 PolarHBondContact O-N 3.36Å; K480-K509 WeakPolarHBondContact CE-O 3.42Å; K480-P512 HydrophobicContact CB-CG 3.76Å; K480-D740 IonicContact NZ-OD2 2.63Å
481E93.1Very high88Confident48 Ų4863.3 Ų63.322%0.22433%0.33CS..Hα-helixtrans-56.2-45.6175.6-76.7-164.2-173.400111.8E477 F478 A483 W484 K485 P512 S514 M515E477-E481 PolarHBondContact O-N 2.93Å; F478-E481 PolarHBondContact O-N 3.46Å; E481-A483 VanDerWaalsContact C-N 3.31Å; E481-A483 PolarHBondContact O-N 3.02Å; E481-W484 PolarHBondContact O-N 2.97Å; E481-K485 WeakPolarHBondContact O-CB 3.49Å; E481-K485 WeakPolarHBondContact O-CD 3.19Å; E481-K485 VanDerWaalsContact O-CG 3.28Å; E481-K485 WeakPolarHBondContact O-CG 3.15Å; E481-K485 PolarHBondContact O-N 3.43Å; E481-K485 IonicContact OE2-NZ 2.65Å; E481-K485 PolarHBondContact OE2-NZ 3.34Å; E481-P512 HydrophobicContact CB-CG 4.49Å; E481-P512 HydrophobicContact CG-CB 3.78Å; E481-P512 HydrophobicContact CG-CG 4Å; E481-S514 WeakPolarHBondContact OE1-CB 3.43Å; E481-S514 PolarHBondContact OE1-OG 3.05Å; E481-M515 HydrophobicContact CG-SD 4.43Å
482Q93.9Very high89.3Confident74 Ų7461 Ų6135%0.34632%0.32SS..Hα-helixtrans-66.8-33.9179.7-168.860.252.200112F478 K480 K485 N486F478-Q482 PolarHBondContact O-N 3.46Å; K480-Q482 VanDerWaalsContact C-N 3.32Å; K480-Q482 PolarHBondContact O-N 3.16Å; Q482-K485 PolarHBondContact O-N 2.97Å; Q482-N486 PolarHBondContact NE2-OD1 3.22Å; Q482-N486 WeakPolarHBondContact O-CB 3.5Å; Q482-N486 PolarHBondContact O-N 3.43Å; Q482-N486 PolarHBondContact O-ND2 2.98Å; Q482-N486 PolarHBondContact O-OD1 2.96Å
483A95.6Very high90.2Very high35 Ų3561.7 Ų61.729%0.28932%0.315SS..Hα-helixtrans-64.9-41.1173.900000112.2L479 K480 E481 H487 L506L479-A483 WeakPolarHBondContact O-CB 3.43Å; L479-A483 PolarHBondContact O-N 2.95Å; K480-A483 WeakPolarHBondContact O-CB 3.33Å; K480-A483 PolarHBondContact O-N 2.85Å; K480-A483 VanDerWaalsContact O-N 3.16Å; E481-A483 VanDerWaalsContact C-N 3.31Å; E481-A483 PolarHBondContact O-N 3.02Å; A483-H487 WeakPolarHBondContact O-CB 3.42Å; A483-H487 PolarHBondContact O-N 3.32Å; A483-L506 HydrophobicContact CB-CD2 3.87Å
484W96.1Very high90.9Very high2 Ų259.4 Ų59.41%0.00831%0.311CS..Hα-helixtrans-67.8-42.9174-80.198.8000112.6K480 E481 N486 H487 F488 T503 L506 V507 I511 M515 L519 F523K480-W484 PolarHBondContact O-N 3.36Å; E481-W484 PolarHBondContact O-N 2.97Å; W484-N486 VanDerWaalsContact C-N 3.33Å; W484-N486 PolarHBondContact O-N 2.86Å; W484-H487 WeakPolarHBondContact O-CA 3.17Å; W484-H487 WeakPolarHBondContact O-CB 3.48Å; W484-H487 PolarHBondContact O-N 2.89Å; W484-H487 VanDerWaalsContact O-N 3.09Å; W484-F488 AromaticContact CE3-CE1 3.81Å; W484-F488 HydrophobicContact CE3-CE1 3.81Å; W484-F488 HydrophobicContact CE3-CZ 4.14Å; W484-F488 HydrophobicContact CZ3-CE1 4.31Å; W484-F488 WeakPolarHBondContact O-CG 3.47Å; W484-F488 PolarHBondContact O-N 3.43Å; W484-T503 HydrophobicContact CH2-CG2 4.15Å; W484-T503 HydrophobicContact CZ3-CG2 4.15Å; W484-L506 HydrophobicContact CD2-CB 4.36Å; W484-L506 HydrophobicContact CD2-CD1 4.27Å; W484-L506 HydrophobicContact CE3-CD1 4.3Å; W484-L506 HydrophobicContact CH2-CB 4.02Å; W484-L506 HydrophobicContact CZ2-CB 3.52Å; W484-V507 HydrophobicContact CH2-CG2 3.85Å; W484-V507 HydrophobicContact CZ2-CG2 3.89Å; W484-I511 HydrophobicContact CZ2-CG1 4.09Å; W484-M515 HydrophobicContact CB-CE 3.91Å; W484-M515 HydrophobicContact CB-SD 3.99Å; W484-M515 HydrophobicContact CG-CE 4.48Å; W484-M515 HydrophobicContact CG-SD 4.47Å; W484-L519 HydrophobicContact CD2-CD1 4.02Å; W484-L519 HydrophobicContact CE3-CD1 4.03Å; W484-L519 HydrophobicContact CE3-CD2 4.31Å; W484-L519 HydrophobicContact CH2-CD1 4.23Å; W484-L519 HydrophobicContact CH2-CD2 4.46Å; W484-L519 HydrophobicContact CZ2-CD1 4.2Å; W484-L519 HydrophobicContact CZ3-CD1 4.14Å; W484-L519 HydrophobicContact CZ3-CD2 3.98Å; W484-F523 HydrophobicContact CH2-CE2 4.11Å; W484-F523 AromaticContact CH2-CZ 3.82Å; W484-F523 HydrophobicContact CH2-CZ 3.82Å; W484-F523 HydrophobicContact CZ3-CZ 4.09Å
485K95.4Very high91.4Very high87 Ų8755.5 Ų55.538%0.37829%0.291SS..Hα-helixtrans-60-42.2174.9-70.1162.4-169.5168.40111.8E481 Q482 F488 T489E481-K485 WeakPolarHBondContact O-CB 3.49Å; E481-K485 WeakPolarHBondContact O-CD 3.19Å; E481-K485 VanDerWaalsContact O-CG 3.28Å; E481-K485 WeakPolarHBondContact O-CG 3.15Å; E481-K485 PolarHBondContact O-N 3.43Å; E481-K485 IonicContact OE2-NZ 2.65Å; E481-K485 PolarHBondContact OE2-NZ 3.34Å; Q482-K485 PolarHBondContact O-N 2.97Å; K485-F488 PolarHBondContact O-N 3.1Å; K485-T489 PolarHBondContact O-N 3.13Å
486N95.1Very high92Very high85 Ų8553.7 Ų53.746%0.45528%0.277SS..Hα-helixtrans-62.2-42.7173-67.8-4.6000111.5Q482 W484 F488 T489 E490Q482-N486 PolarHBondContact NE2-OD1 3.22Å; Q482-N486 WeakPolarHBondContact O-CB 3.5Å; Q482-N486 PolarHBondContact O-N 3.43Å; Q482-N486 PolarHBondContact O-ND2 2.98Å; Q482-N486 PolarHBondContact O-OD1 2.96Å; W484-N486 VanDerWaalsContact C-N 3.33Å; W484-N486 PolarHBondContact O-N 2.86Å; N486-F488 PolarHBondContact O-N 2.82Å; N486-T489 PolarHBondContact O-N 3.37Å; N486-T489 PolarHBondContact O-OG1 3.13Å; N486-E490 PolarHBondContact O-N 2.89Å
487H95.3Very high92.5Very high7 Ų749.9 Ų49.93%0.03226%0.26CS..Hα-helixtrans-60.2-45176.6-171.668.5000111.8A483 W484 T489 E490 Y491 T503 L506A483-H487 WeakPolarHBondContact O-CB 3.42Å; A483-H487 PolarHBondContact O-N 3.32Å; W484-H487 WeakPolarHBondContact O-CA 3.17Å; W484-H487 WeakPolarHBondContact O-CB 3.48Å; W484-H487 PolarHBondContact O-N 2.89Å; W484-H487 VanDerWaalsContact O-N 3.09Å; H487-T489 VanDerWaalsContact C-N 3.3Å; H487-T489 PolarHBondContact O-N 2.73Å; H487-E490 PolarHBondContact O-N 3.05Å; H487-E490 VanDerWaalsContact O-N 3.09Å; H487-Y491 AromaticContact CE1-CD2 3.31Å; H487-Y491 WeakPolarHBondContact CE1-CD2 3.45Å; H487-Y491 AromaticContact CE1-CE2 3.91Å; H487-Y491 AromaticContact CE1-CG 3.42Å; H487-Y491 VanDerWaalsContact CE1-CG 3.42Å; H487-Y491 AromaticContact CG-CD2 3.93Å; H487-Y491 AromaticContact ND1-CD2 3.13Å; H487-Y491 WeakPolarHBondContact ND1-CD2 3.33Å; H487-Y491 AromaticContact ND1-CE2 3.63Å; H487-Y491 AromaticContact ND1-CG 3.75Å; H487-Y491 WeakPolarHBondContact O-CD2 3.28Å; H487-Y491 PolarHBondContact O-N 3.04Å; H487-T503 PolarHBondContact CE1-OG1 3.36Å; H487-T503 PolarHBondContact NE2-OG1 3.37Å; H487-L506 HydrophobicContact CB-CD1 3.56Å
488F94.8Very high92.9Very high18 Ų1849.4 Ų49.48%0.07926%0.257CS..Hα-helixtrans-62.1-35.3177.6-63.4-18.8000113W484 K485 N486 E490 G492 E493 M497 M515 L519W484-F488 AromaticContact CE3-CE1 3.81Å; W484-F488 HydrophobicContact CE3-CE1 3.81Å; W484-F488 HydrophobicContact CE3-CZ 4.14Å; W484-F488 HydrophobicContact CZ3-CE1 4.31Å; W484-F488 WeakPolarHBondContact O-CG 3.47Å; W484-F488 PolarHBondContact O-N 3.43Å; K485-F488 PolarHBondContact O-N 3.1Å; N486-F488 PolarHBondContact O-N 2.82Å; F488-E490 VanDerWaalsContact C-N 3.27Å; F488-E490 PolarHBondContact O-N 3.49Å; F488-G492 WeakPolarHBondContact CA-O 3.29Å; F488-G492 CarbonylContact O-C 3.56Å; F488-G492 WeakPolarHBondContact O-CA 3.29Å; F488-G492 PolarHBondContact O-N 3.46Å; F488-E493 HydrophobicContact CB-CB 4.21Å; F488-E493 HydrophobicContact CB-CG 4.38Å; F488-E493 HydrophobicContact CD2-CG 3.89Å; F488-E493 WeakPolarHBondContact CD2-OE1 3.19Å; F488-E493 HydrophobicContact CE2-CG 4.25Å; F488-E493 HydrophobicContact CG-CB 4.31Å; F488-E493 HydrophobicContact CG-CG 4.08Å; F488-M497 HydrophobicContact CD1-SD 3.95Å; F488-M497 HydrophobicContact CE1-SD 3.93Å; F488-M515 HydrophobicContact CE2-CE 3.48Å; F488-M515 VanDerWaalsContact CE2-CE 3.48Å; F488-M515 HydrophobicContact CZ-CE 3.73Å; F488-L519 HydrophobicContact CE1-CD2 4.43Å; F488-L519 HydrophobicContact CZ-CD2 4.12Å
489T92.7Very high93.2Very high125 Ų12544.9 Ų44.977%0.76724%0.237SC*.Hα-helixtrans-69.4-19.2175.4580000114.7K485 N486 H487K485-T489 PolarHBondContact O-N 3.13Å; N486-T489 PolarHBondContact O-N 3.37Å; N486-T489 PolarHBondContact O-OG1 3.13Å; H487-T489 VanDerWaalsContact C-N 3.3Å; H487-T489 PolarHBondContact O-N 2.73Å
490E92.6Very high93.4Very high99 Ų9939.6 Ų39.646%0.46321%0.21SC..Hα-helixtrans-104.9-36.2-178.3-175.6-175.9155.300112.8F316 N486 H487 F488F316-E490 HydrophobicContact CB-CG 3.68Å; N486-E490 PolarHBondContact O-N 2.89Å; H487-E490 PolarHBondContact O-N 3.05Å; H487-E490 VanDerWaalsContact O-N 3.09Å; F488-E490 VanDerWaalsContact C-N 3.27Å; F488-E490 PolarHBondContact O-N 3.49Å
491Y93.2Very high93.4Very high21 Ų2141.8 Ų41.88%0.08222%0.22CC..Hα-helixtrans-111.4-1.1-174.5-62-94.3000113.6F316 H487 M497 Y498 T500 K502F316-Y491 HydrophobicContact CB-CE1 4.21Å; F316-Y491 AromaticContact CD1-CD1 3.67Å; F316-Y491 HydrophobicContact CD1-CD1 3.67Å; F316-Y491 AromaticContact CD1-CE1 3.68Å; F316-Y491 HydrophobicContact CD1-CE1 3.68Å; F316-Y491 HydrophobicContact CD1-CG 4.44Å; F316-Y491 HydrophobicContact CD2-CD1 4.34Å; F316-Y491 AromaticContact CD2-CE1 3.51Å; F316-Y491 HydrophobicContact CD2-CE1 3.51Å; F316-Y491 AromaticContact CD2-CZ 3.98Å; F316-Y491 AromaticContact CE1-CD1 3.68Å; F316-Y491 HydrophobicContact CE1-CD1 3.68Å; F316-Y491 AromaticContact CE1-CE1 3.82Å; F316-Y491 HydrophobicContact CE1-CE1 3.82Å; F316-Y491 HydrophobicContact CE2-CD1 4.35Å; F316-Y491 AromaticContact CE2-CE1 3.66Å; F316-Y491 HydrophobicContact CE2-CE1 3.66Å; F316-Y491 HydrophobicContact CG-CD1 4.02Å; F316-Y491 AromaticContact CG-CE1 3.53Å; F316-Y491 HydrophobicContact CG-CE1 3.53Å; F316-Y491 AromaticContact CG-CZ 3.94Å; F316-Y491 HydrophobicContact CZ-CD1 4.02Å; F316-Y491 AromaticContact CZ-CE1 3.81Å; F316-Y491 HydrophobicContact CZ-CE1 3.81Å; H487-Y491 AromaticContact CE1-CD2 3.31Å; H487-Y491 WeakPolarHBondContact CE1-CD2 3.45Å; H487-Y491 AromaticContact CE1-CE2 3.91Å; H487-Y491 AromaticContact CE1-CG 3.42Å; H487-Y491 VanDerWaalsContact CE1-CG 3.42Å; H487-Y491 AromaticContact CG-CD2 3.93Å; H487-Y491 AromaticContact ND1-CD2 3.13Å; H487-Y491 WeakPolarHBondContact ND1-CD2 3.33Å; H487-Y491 AromaticContact ND1-CE2 3.63Å; H487-Y491 AromaticContact ND1-CG 3.75Å; H487-Y491 WeakPolarHBondContact O-CD2 3.28Å; H487-Y491 PolarHBondContact O-N 3.04Å; Y491-M497 WeakPolarHBondContact O-CG 3.43Å; Y491-Y498 WeakPolarHBondContact O-CD2 3.27Å; Y491-Y498 PolarHBondContact O-N 3.23Å; Y491-T500 HydrophobicContact CD1-CG2 3.88Å; Y491-T500 HydrophobicContact CE1-CG2 3.9Å; Y491-K502 HydrophobicContact CE2-CG 4.48Å
492G91.8Very high93.4Very high13 Ų1343.6 Ų43.613%0.13423%0.227CC..  trans83.6175.7-176.500000113.6F488 M497F488-G492 WeakPolarHBondContact CA-O 3.29Å; F488-G492 CarbonylContact O-C 3.56Å; F488-G492 WeakPolarHBondContact O-CA 3.29Å; F488-G492 PolarHBondContact O-N 3.46Å; G492-M497 VanDerWaalsContact O-CG 3.25Å; G492-M497 WeakPolarHBondContact O-CG 3.44Å
493E90.1Very high93.4Very high109 Ų10940.1 Ų40.151%0.50921%0.211SC..SBendtrans-131.5153.2-170.8-167.8170.1-132.300111F488F488-E493 HydrophobicContact CB-CB 4.21Å; F488-E493 HydrophobicContact CB-CG 4.38Å; F488-E493 HydrophobicContact CD2-CG 3.89Å; F488-E493 WeakPolarHBondContact CD2-OE1 3.19Å; F488-E493 HydrophobicContact CE2-CG 4.25Å; F488-E493 HydrophobicContact CG-CB 4.31Å; F488-E493 HydrophobicContact CG-CG 4.08Å
494G90.4Very high93.3Very high21 Ų2139.8 Ų39.822%0.21620%0.203CC..G310 helixtrans66.6-155.5-178.700000114.1C496 M497 L522G494-C496 PolarHBondContact O-N 3.33Å; G494-C496 VanDerWaalsContact O-N 3.16Å; G494-M497 VanDerWaalsContact O-CB 3.31Å; G494-M497 WeakPolarHBondContact O-CB 3.48Å; G494-M497 PolarHBondContact O-N 3.27Å; G494-M497 VanDerWaalsContact O-N 3.1Å; G494-L522 WeakPolarHBondContact O-CD1 3.49Å
495V90.4Very high93.2Very high17 Ų1743 Ų4310%0.10322%0.218CC..G310 helixtrans-58.6-34.2-169.4-169.80000113.1I345 P347 M497 L522 I527I345-V495 HydrophobicContact CG2-CG1 4.23Å; P347-V495 HydrophobicContact CG-CB 4.21Å; P347-V495 HydrophobicContact CG-CG1 3.62Å; V495-M497 VanDerWaalsContact C-N 3.33Å; V495-M497 PolarHBondContact O-N 2.84Å; V495-L522 HydrophobicContact CB-CD1 4.49Å; V495-L522 HydrophobicContact CG2-CD1 4.4Å; V495-I527 HydrophobicContact CG2-CD1 4.3Å; V495-I527 HydrophobicContact CG2-CG2 3.78Å
496C93.2Very high93.2Very high4 Ų439.7 Ų39.73%0.02720%0.204CC..G310 helixtrans-889.8-177.2-56.30000114.3L344 I345 M375 F377 G494L344-C496 VanDerWaalsContact CD1-O 3.24Å; L344-C496 WeakPolarHBondContact CD1-O 3.45Å; I345-C496 WeakPolarHBondContact O-CA 3.25Å; M375-C496 WeakPolarHBondContact CE-O 3.21Å; M375-C496 HydrophobicContact SD-CB 4.15Å; F377-C496 HydrophobicContact CE2-CB 4.28Å; F377-C496 HydrophobicContact CZ-CB 3.87Å; F377-C496 WeakPolarHBondContact CZ-O 3.36Å; G494-C496 PolarHBondContact O-N 3.33Å; G494-C496 VanDerWaalsContact O-N 3.16Å
497M93.6Very high93.2Very high0 Ų035.7 Ų35.70%018%0.183CC..  trans-60.2137.4173.5177.6177.970.300111.6F488 Y491 G492 G494 V495 R499 T503 L522 F523F488-M497 HydrophobicContact CD1-SD 3.95Å; F488-M497 HydrophobicContact CE1-SD 3.93Å; Y491-M497 WeakPolarHBondContact O-CG 3.43Å; G492-M497 VanDerWaalsContact O-CG 3.25Å; G492-M497 WeakPolarHBondContact O-CG 3.44Å; G494-M497 VanDerWaalsContact O-CB 3.31Å; G494-M497 WeakPolarHBondContact O-CB 3.48Å; G494-M497 PolarHBondContact O-N 3.27Å; G494-M497 VanDerWaalsContact O-N 3.1Å; V495-M497 VanDerWaalsContact C-N 3.33Å; V495-M497 PolarHBondContact O-N 2.84Å; M497-R499 HydrophobicContact CE-CG 4.47Å; M497-R499 PolarHBondContact O-N 3.15Å; M497-R499 VanDerWaalsContact O-N 3.17Å; M497-T503 HydrophobicContact CE-CG2 3.82Å; M497-L522 HydrophobicContact CE-CD2 4.05Å; M497-F523 HydrophobicContact CE-CE1 3.86Å; M497-F523 HydrophobicContact CE-CZ 4.33Å
498Y94.1Very high93.1Very high7 Ų737.2 Ų37.23%0.02719%0.191CC..  trans-69.1106.3170.1-64.9-85.4000109.8L312 T314 P315 F316 L344 M375 F377 Y491L312-Y498 HydrophobicContact CD2-CD1 4.45Å; L312-Y498 HydrophobicContact CD2-CE1 4.04Å; L312-Y498 HydrophobicContact CG-CE1 4.42Å; T314-Y498 HydrophobicContact CG2-CD1 4.04Å; T314-Y498 HydrophobicContact CG2-CE1 3.99Å; P315-Y498 HydrophobicContact CG-CE2 3.94Å; F316-Y498 HydrophobicContact CE1-CD1 4.2Å; F316-Y498 HydrophobicContact CE1-CD2 4.08Å; F316-Y498 AromaticContact CE1-CG 3.81Å; F316-Y498 HydrophobicContact CE1-CG 3.81Å; L344-Y498 HydrophobicContact CD2-CE1 4.24Å; M375-Y498 HydrophobicContact CE-CD2 4.04Å; M375-Y498 HydrophobicContact CE-CE2 3.85Å; F377-Y498 AromaticContact CD1-CE1 3.92Å; F377-Y498 HydrophobicContact CD1-CE1 3.92Å; F377-Y498 HydrophobicContact CD1-CE2 4.34Å; F377-Y498 AromaticContact CD1-CZ 3.59Å; F377-Y498 VanDerWaalsContact CD1-OH 3.22Å; F377-Y498 WeakPolarHBondContact CD1-OH 3.36Å; F377-Y498 AromaticContact CE1-CE1 3.99Å; F377-Y498 HydrophobicContact CE1-CE1 3.99Å; F377-Y498 AromaticContact CE1-CE2 3.86Å; F377-Y498 HydrophobicContact CE1-CE2 3.86Å; F377-Y498 AromaticContact CE1-CZ 3.55Å; Y491-Y498 WeakPolarHBondContact O-CD2 3.27Å; Y491-Y498 PolarHBondContact O-N 3.23Å
499R94Very high93Very high29 Ų2940.9 Ų40.911%0.10921%0.207CC..BIsolated β-bridgetrans-80.4125.4177.1-57.5-178.1-174.6-158.5-3.9109.4C342 S343 M497 L522C342-R499 CarbonylContact C-O 3.51Å; C342-R499 WeakPolarHBondContact CA-O 3.45Å; S343-R499 PolarHBondContact N-O 3.1Å; S343-R499 PolarHBondContact O-N 3.39Å; M497-R499 HydrophobicContact CE-CG 4.47Å; M497-R499 PolarHBondContact O-N 3.15Å; M497-R499 VanDerWaalsContact O-N 3.17Å; R499-L522 PolarHBondContact NH2-O 3.35Å
500T93.8Very high92.9Very high9 Ų935 Ų356%0.05517%0.171CC..  trans-139.9172.2-17564.60000111.1F316 T340 L341 Y491 K502 T503 K504 Y695F316-T500 HydrophobicContact CE2-CG2 4.39Å; F316-T500 HydrophobicContact CZ-CG2 3.92Å; T340-T500 CarbonylContact O-C 3.48Å; L341-T500 WeakPolarHBondContact O-CG2 3.37Å; Y491-T500 HydrophobicContact CD1-CG2 3.88Å; Y491-T500 HydrophobicContact CE1-CG2 3.9Å; T500-K502 PolarHBondContact O-N 3.41Å; T500-K502 VanDerWaalsContact O-N 3.1Å; T500-K502 WeakPolarHBondContact OG1-CB 3.4Å; T500-K502 PolarHBondContact OG1-N 3.23Å; T500-T503 PolarHBondContact N-OG1 3.41Å; T500-T503 VanDerWaalsContact N-OG1 3.12Å; T500-T503 WeakPolarHBondContact O-CA 3.31Å; T500-T503 VanDerWaalsContact O-CB 3.31Å; T500-T503 WeakPolarHBondContact O-CB 3.47Å; T500-T503 PolarHBondContact O-N 2.98Å; T500-T503 PolarHBondContact O-OG1 3.48Å; T500-K504 PolarHBondContact O-N 3.18Å; T500-Y695 PolarHBondContact O-OH 3.38Å
501E91.5Very high93Very high68 Ų6830.2 Ų30.232%0.31815%0.149SC..Hα-helixtrans-55.1-24.5168.1-169.857.9-150.300112.3T340 K504 E505T340-E501 WeakPolarHBondContact CB-OE2 3.46Å; T340-E501 PolarHBondContact O-N 3.38Å; T340-E501 VanDerWaalsContact O-N 3.08Å; T340-E501 PolarHBondContact OG1-OE2 3.41Å; E501-K504 WeakPolarHBondContact O-CB 3.31Å; E501-K504 PolarHBondContact O-N 3.36Å; E501-K504 IonicContact OE1-NZ 2.79Å; E501-K504 PolarHBondContact OE1-NZ 3.02Å; E501-K504 IonicContact OE2-NZ 3.35Å; E501-K504 PolarHBondContact OE2-NZ 3.06Å; E501-E505 WeakPolarHBondContact O-CB 3.45Å; E501-E505 PolarHBondContact O-N 3.13Å
502K92.9Very high93Very high86 Ų8629.2 Ų29.237%0.37415%0.145SC..Hα-helixtrans-68.1-36.6172.8-157.175.9-149.6168.30112.8Y491 T500 E505 L506Y491-K502 HydrophobicContact CE2-CG 4.48Å; T500-K502 PolarHBondContact O-N 3.41Å; T500-K502 VanDerWaalsContact O-N 3.1Å; T500-K502 WeakPolarHBondContact OG1-CB 3.4Å; T500-K502 PolarHBondContact OG1-N 3.23Å; K502-E505 WeakPolarHBondContact CE-OE1 3.38Å; K502-E505 IonicContact NZ-OE1 3.71Å; K502-E505 PolarHBondContact NZ-OE1 3.39Å; K502-E505 IonicContact NZ-OE2 2.59Å; K502-E505 PolarHBondContact NZ-OE2 2.8Å; K502-E505 WeakPolarHBondContact O-CB 3.41Å; K502-E505 PolarHBondContact O-N 3.37Å; K502-L506 WeakPolarHBondContact O-CG 3.15Å; K502-L506 PolarHBondContact O-N 2.98Å
503T94.7Very high92.8Very high0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-64.7-44.5173.4-40.50000110.2W484 H487 M497 T500 E505 L506 V507 F523 Y695W484-T503 HydrophobicContact CH2-CG2 4.15Å; W484-T503 HydrophobicContact CZ3-CG2 4.15Å; H487-T503 PolarHBondContact CE1-OG1 3.36Å; H487-T503 PolarHBondContact NE2-OG1 3.37Å; M497-T503 HydrophobicContact CE-CG2 3.82Å; T500-T503 PolarHBondContact N-OG1 3.41Å; T500-T503 VanDerWaalsContact N-OG1 3.12Å; T500-T503 WeakPolarHBondContact O-CA 3.31Å; T500-T503 VanDerWaalsContact O-CB 3.31Å; T500-T503 WeakPolarHBondContact O-CB 3.47Å; T500-T503 PolarHBondContact O-N 2.98Å; T500-T503 PolarHBondContact O-OG1 3.48Å; T503-E505 PolarHBondContact O-N 3.48Å; T503-L506 PolarHBondContact O-N 3.01Å; T503-L506 VanDerWaalsContact O-N 3.13Å; T503-V507 PolarHBondContact O-N 3.36Å; T503-F523 HydrophobicContact CG2-CE1 4.06Å; T503-F523 HydrophobicContact CG2-CZ 3.93Å; T503-Y695 HydrophobicContact CG2-CE2 3.7Å
504K93.2Very high92.8Very high29 Ų2927.8 Ų27.813%0.12614%0.143CC..Hα-helixtrans-59.8-44.4174.2179.5154.6151.6-88.60112.2T500 E501 L506 V507 L508 Y695T500-K504 PolarHBondContact O-N 3.18Å; E501-K504 WeakPolarHBondContact O-CB 3.31Å; E501-K504 PolarHBondContact O-N 3.36Å; E501-K504 IonicContact OE1-NZ 2.79Å; E501-K504 PolarHBondContact OE1-NZ 3.02Å; E501-K504 IonicContact OE2-NZ 3.35Å; E501-K504 PolarHBondContact OE2-NZ 3.06Å; K504-L506 PolarHBondContact O-N 3.26Å; K504-V507 PolarHBondContact O-N 3.21Å; K504-L508 HydrophobicContact CG-CD1 4Å; K504-L508 HydrophobicContact CG-CG 4.46Å; K504-L508 VanDerWaalsContact O-CG 3.32Å; K504-L508 WeakPolarHBondContact O-CG 3.26Å; K504-L508 PolarHBondContact O-N 3.05Å; K504-Y695 HydrophobicContact CB-CD1 4.4Å; K504-Y695 HydrophobicContact CB-CE1 3.59Å; K504-Y695 HydrophobicContact CD-CE1 4.04Å; K504-Y695 HydrophobicContact CG-CE1 4.01Å
505E94.2Very high93Very high69 Ų6927.7 Ų27.732%0.32214%0.137SC..Hα-helixtrans-55.5-28.7173.6-114.4-161.8-98.200114.3E501 K502 T503 K509E501-E505 WeakPolarHBondContact O-CB 3.45Å; E501-E505 PolarHBondContact O-N 3.13Å; K502-E505 WeakPolarHBondContact CE-OE1 3.38Å; K502-E505 IonicContact NZ-OE1 3.71Å; K502-E505 PolarHBondContact NZ-OE1 3.39Å; K502-E505 IonicContact NZ-OE2 2.59Å; K502-E505 PolarHBondContact NZ-OE2 2.8Å; K502-E505 WeakPolarHBondContact O-CB 3.41Å; K502-E505 PolarHBondContact O-N 3.37Å; T503-E505 PolarHBondContact O-N 3.48Å; E505-K509 WeakPolarHBondContact O-CD 3.43Å; E505-K509 WeakPolarHBondContact O-CE 3.21Å; E505-K509 VanDerWaalsContact O-CG 3.31Å; E505-K509 WeakPolarHBondContact O-CG 3.39Å; E505-K509 PolarHBondContact O-NZ 3.39Å; E505-K509 VanDerWaalsContact O-NZ 3.16Å; E505-K509 IonicContact OE2-NZ 2.82Å; E505-K509 PolarHBondContact OE2-NZ 3Å
506L95.7Very high93.2Very high17 Ų1727.3 Ų27.39%0.08913%0.134CC..Hα-helixtrans-84.1-40.9178.6-69.8168.5000111.4A483 W484 H487 K502 T503 K504 L508 K509 G510A483-L506 HydrophobicContact CB-CD2 3.87Å; W484-L506 HydrophobicContact CD2-CB 4.36Å; W484-L506 HydrophobicContact CD2-CD1 4.27Å; W484-L506 HydrophobicContact CE3-CD1 4.3Å; W484-L506 HydrophobicContact CH2-CB 4.02Å; W484-L506 HydrophobicContact CZ2-CB 3.52Å; H487-L506 HydrophobicContact CB-CD1 3.56Å; K502-L506 WeakPolarHBondContact O-CG 3.15Å; K502-L506 PolarHBondContact O-N 2.98Å; T503-L506 PolarHBondContact O-N 3.01Å; T503-L506 VanDerWaalsContact O-N 3.13Å; K504-L506 PolarHBondContact O-N 3.26Å; L506-L508 VanDerWaalsContact C-N 3.29Å; L506-L508 PolarHBondContact O-N 3.47Å; L506-K509 PolarHBondContact O-N 2.61Å; L506-G510 PolarHBondContact O-N 3.27Å
507V95.6Very high93.2Very high2 Ų227.3 Ų27.31%0.01214%0.135CC..Hα-helixtrans-60.3-41172.6179.60000110.9W484 T503 K504 K509 G510 I511 F523 D691 Y695W484-V507 HydrophobicContact CH2-CG2 3.85Å; W484-V507 HydrophobicContact CZ2-CG2 3.89Å; T503-V507 PolarHBondContact O-N 3.36Å; K504-V507 PolarHBondContact O-N 3.21Å; V507-K509 PolarHBondContact O-N 3.11Å; V507-K509 VanDerWaalsContact O-N 3.07Å; V507-G510 WeakPolarHBondContact O-CA 3.36Å; V507-G510 PolarHBondContact O-N 3.31Å; V507-I511 HydrophobicContact CG2-CD1 4.32Å; V507-I511 HydrophobicContact CG2-CG1 4.42Å; V507-F523 HydrophobicContact CG2-CE2 4.01Å; V507-F523 HydrophobicContact CG2-CZ 4.45Å; V507-D691 HydrophobicContact CG1-CB 4.35Å; V507-D691 WeakPolarHBondContact CG1-O 3.4Å; V507-Y695 HydrophobicContact CB-CG 4.38Å; V507-Y695 HydrophobicContact CG1-CG 4.43Å; V507-Y695 HydrophobicContact CG2-CD2 3.79Å; V507-Y695 HydrophobicContact CG2-CE2 4.5Å; V507-Y695 HydrophobicContact CG2-CG 3.88Å
508L93.2Very high93.3Very high38 Ų3832 Ų3220%0.19916%0.156CC..THydrogen-bonded Turntrans-69.2-0.2175.1-64175000114.7K504 L506 V769 Y773K504-L508 HydrophobicContact CG-CD1 4Å; K504-L508 HydrophobicContact CG-CG 4.46Å; K504-L508 VanDerWaalsContact O-CG 3.32Å; K504-L508 WeakPolarHBondContact O-CG 3.26Å; K504-L508 PolarHBondContact O-N 3.05Å; L506-L508 VanDerWaalsContact C-N 3.29Å; L506-L508 PolarHBondContact O-N 3.47Å; L508-V769 HydrophobicContact CD2-CG1 3.83Å; L508-Y773 HydrophobicContact CD2-CD2 3.81Å; L508-Y773 HydrophobicContact CD2-CE2 3.47Å; L508-Y773 VanDerWaalsContact CD2-CE2 3.47Å
509K92.1Very high93.4Very high95 Ų9531.7 Ų31.741%0.41316%0.155SC..THydrogen-bonded Turntrans-111.36.5169.9-65.2163.5-164.1148.60112.2K480 E505 L506 V507K480-K509 WeakPolarHBondContact CE-O 3.42Å; E505-K509 WeakPolarHBondContact O-CD 3.43Å; E505-K509 WeakPolarHBondContact O-CE 3.21Å; E505-K509 VanDerWaalsContact O-CG 3.31Å; E505-K509 WeakPolarHBondContact O-CG 3.39Å; E505-K509 PolarHBondContact O-NZ 3.39Å; E505-K509 VanDerWaalsContact O-NZ 3.16Å; E505-K509 IonicContact OE2-NZ 2.82Å; E505-K509 PolarHBondContact OE2-NZ 3Å; L506-K509 PolarHBondContact O-N 2.61Å; V507-K509 PolarHBondContact O-N 3.11Å; V507-K509 VanDerWaalsContact O-N 3.07Å
510G91.4Very high93.6Very high1 Ų130.3 Ų30.31%0.0115%0.15CC..  trans85.7137.8-177.700000112.8L506 V507L506-G510 PolarHBondContact O-N 3.27Å; V507-G510 WeakPolarHBondContact O-CA 3.36Å; V507-G510 PolarHBondContact O-N 3.31Å
511I94.9Very high93.7Very high0 Ų030.1 Ų30.10%015%0.149CC..  trans-79.2139171.2-62175.9000108.3W484 V507 M515 R516 L519 F523 D691W484-I511 HydrophobicContact CZ2-CG1 4.09Å; V507-I511 HydrophobicContact CG2-CD1 4.32Å; V507-I511 HydrophobicContact CG2-CG1 4.42Å; I511-M515 HydrophobicContact CG2-CB 4.23Å; I511-R516 HydrophobicContact CB-CG 4.03Å; I511-R516 HydrophobicContact CG2-CB 4.49Å; I511-R516 HydrophobicContact CG2-CG 3.73Å; I511-R516 PolarHBondContact O-NE 3.12Å; I511-R516 PolarHBondContact O-NH2 3.5Å; I511-L519 HydrophobicContact CD1-CB 4.17Å; I511-L519 HydrophobicContact CD1-CD1 4.44Å; I511-L519 HydrophobicContact CG1-CD1 4.47Å; I511-L519 HydrophobicContact CG2-CB 4.38Å; I511-L519 HydrophobicContact CG2-CD1 3.54Å; I511-F523 HydrophobicContact CD1-CE2 4.29Å; I511-D691 WeakPolarHBondContact CB-OD2 3.44Å; I511-D691 HydrophobicContact CD1-CB 3.96Å; I511-D691 HydrophobicContact CG1-CB 4.16Å; I511-D691 PolarHBondContact N-OD2 3.36Å
512P93.1Very high93.9Very high0 Ų027.2 Ų27.20%014%0.135CC..  trans-55.7140.8174.2-23.530.7000112.1E477 K480 E481 S514 M515 R516E477-P512 WeakPolarHBondContact OE2-CA 3.44Å; K480-P512 HydrophobicContact CB-CG 3.76Å; E481-P512 HydrophobicContact CB-CG 4.49Å; E481-P512 HydrophobicContact CG-CB 3.78Å; E481-P512 HydrophobicContact CG-CG 4Å; P512-S514 PolarHBondContact O-N 3.41Å; P512-M515 HydrophobicContact CB-CB 4.31Å; P512-M515 HydrophobicContact CB-CG 4.16Å; P512-M515 HydrophobicContact CB-SD 4.34Å; P512-M515 HydrophobicContact CG-CB 4.45Å; P512-M515 HydrophobicContact CG-CG 4.3Å; P512-M515 HydrophobicContact CG-SD 3.88Å; P512-M515 PolarHBondContact O-N 3.2Å; P512-R516 PolarHBondContact O-N 3.23Å
513E87.9Confident94Very high15 Ų1523.1 Ų23.17%0.0712%0.118CC..THydrogen-bonded Turntrans-51.9-32.9178.1-70.8179.2-140.700113R463 E477 T742R463-E513 IonicContact CZ-OE2 3.81Å; R463-E513 IonicContact NH2-OE2 3.98Å; R463-E513 PolarHBondContact NH2-OE2 3.4Å; E477-E513 PolarHBondContact OE2-N 3.15Å; E513-T742 WeakPolarHBondContact OE1-CB 3.47Å; E513-T742 WeakPolarHBondContact OE1-CG2 3.25Å; E513-T742 PolarHBondContact OE1-N 2.97Å; E513-T742 PolarHBondContact OE1-OG1 3.37Å; E513-T742 PolarHBondContact OE2-OG1 3.16Å
514S88.8Confident94Very high77 Ų7723.1 Ų23.154%0.53812%0.118SC..THydrogen-bonded Turntrans-75.2-17.5179.549.30000115.2E481 P512E481-S514 WeakPolarHBondContact OE1-CB 3.43Å; E481-S514 PolarHBondContact OE1-OG 3.05Å; P512-S514 PolarHBondContact O-N 3.41Å
515M94.1Very high94Very high18 Ų1821.9 Ų21.99%0.08911%0.113CC..THydrogen-bonded Turntrans-115.5-1.7-170.5-60.3-177.469.300113.7E481 W484 F488 I511 P512 L519E481-M515 HydrophobicContact CG-SD 4.43Å; W484-M515 HydrophobicContact CB-CE 3.91Å; W484-M515 HydrophobicContact CB-SD 3.99Å; W484-M515 HydrophobicContact CG-CE 4.48Å; W484-M515 HydrophobicContact CG-SD 4.47Å; F488-M515 HydrophobicContact CE2-CE 3.48Å; F488-M515 VanDerWaalsContact CE2-CE 3.48Å; F488-M515 HydrophobicContact CZ-CE 3.73Å; I511-M515 HydrophobicContact CG2-CB 4.23Å; P512-M515 HydrophobicContact CB-CB 4.31Å; P512-M515 HydrophobicContact CB-CG 4.16Å; P512-M515 HydrophobicContact CB-SD 4.34Å; P512-M515 HydrophobicContact CG-CB 4.45Å; P512-M515 HydrophobicContact CG-CG 4.3Å; P512-M515 HydrophobicContact CG-SD 3.88Å; P512-M515 PolarHBondContact O-N 3.2Å; M515-L519 HydrophobicContact CB-CD1 3.94Å; M515-L519 HydrophobicContact CE-CD1 4.34Å; M515-L519 WeakPolarHBondContact O-CB 3.44Å; M515-L519 PolarHBondContact O-N 2.84Å
516R95.1Very high94.1Very high9 Ų918.6 Ų18.63%0.03410%0.098CC..Hα-helixtrans-60.5-52.6-174.6-74.7-169.8-170.8116.322.5113.5I511 P512 E518 L519 W520 Y608 D691I511-R516 HydrophobicContact CB-CG 4.03Å; I511-R516 HydrophobicContact CG2-CB 4.49Å; I511-R516 HydrophobicContact CG2-CG 3.73Å; I511-R516 PolarHBondContact O-NE 3.12Å; I511-R516 PolarHBondContact O-NH2 3.5Å; P512-R516 PolarHBondContact O-N 3.23Å; R516-E518 PolarHBondContact O-N 2.76Å; R516-L519 PolarHBondContact O-N 3.08Å; R516-W520 HydrophobicContact CB-CD2 4.25Å; R516-W520 HydrophobicContact CB-CZ2 4.09Å; R516-W520 HydrophobicContact CG-CZ2 4.25Å; R516-W520 VanDerWaalsContact O-CB 3.25Å; R516-W520 WeakPolarHBondContact O-CB 3.42Å; R516-W520 VanDerWaalsContact O-CD1 3.29Å; R516-W520 PolarHBondContact O-N 3.49Å; R516-Y608 HydrophobicContact CB-CD1 4.12Å; R516-Y608 HydrophobicContact CB-CG 4.07Å; R516-Y608 PolarHBondContact NH1-OH 2.92Å; R516-D691 WeakPolarHBondContact CD-OD1 3.02Å; R516-D691 IonicContact NE-OD1 3.52Å; R516-D691 PolarHBondContact NE-OD1 3.23Å; R516-D691 IonicContact NE-OD2 2.66Å; R516-D691 PolarHBondContact NE-OD2 2.98Å
517G94.5Very high94Very high4 Ų419.3 Ų19.34%0.04110%0.102CC..Hα-helixtrans-54.2-49.5-178.700000113.2L521 Y608G517-L521 WeakPolarHBondContact O-CB 3.37Å; G517-L521 VanDerWaalsContact O-CG 3.24Å; G517-L521 WeakPolarHBondContact O-CG 3.24Å; G517-L521 PolarHBondContact O-N 2.99Å; G517-Y608 VanDerWaalsContact CA-O 3.26Å; G517-Y608 WeakPolarHBondContact CA-O 3.45Å; G517-Y608 PolarHBondContact N-O 2.83Å
518E94.9Very high93.7Very high98 Ų9819.4 Ų19.446%0.45810%0.102SC..Hα-helixtrans-62.9-47.5178.1-173.8-177.6179.400112.6R516 L521 L522R516-E518 PolarHBondContact O-N 2.76Å; E518-L521 WeakPolarHBondContact O-CB 3.09Å; E518-L521 PolarHBondContact O-N 3Å; E518-L522 WeakPolarHBondContact O-CB 3.39Å; E518-L522 PolarHBondContact O-N 3.4Å
519L97Very high93.5Very high1 Ų118.4 Ų18.41%0.00510%0.096CC..Hα-helixtrans-70.8-33.3-178.6-74.6170.1000112.3W484 F488 I511 M515 R516 L522 F523W484-L519 HydrophobicContact CD2-CD1 4.02Å; W484-L519 HydrophobicContact CE3-CD1 4.03Å; W484-L519 HydrophobicContact CE3-CD2 4.31Å; W484-L519 HydrophobicContact CH2-CD1 4.23Å; W484-L519 HydrophobicContact CH2-CD2 4.46Å; W484-L519 HydrophobicContact CZ2-CD1 4.2Å; W484-L519 HydrophobicContact CZ3-CD1 4.14Å; W484-L519 HydrophobicContact CZ3-CD2 3.98Å; F488-L519 HydrophobicContact CE1-CD2 4.43Å; F488-L519 HydrophobicContact CZ-CD2 4.12Å; I511-L519 HydrophobicContact CD1-CB 4.17Å; I511-L519 HydrophobicContact CD1-CD1 4.44Å; I511-L519 HydrophobicContact CG1-CD1 4.47Å; I511-L519 HydrophobicContact CG2-CB 4.38Å; I511-L519 HydrophobicContact CG2-CD1 3.54Å; M515-L519 HydrophobicContact CB-CD1 3.94Å; M515-L519 HydrophobicContact CE-CD1 4.34Å; M515-L519 WeakPolarHBondContact O-CB 3.44Å; M515-L519 PolarHBondContact O-N 2.84Å; R516-L519 PolarHBondContact O-N 3.08Å; L519-L522 HydrophobicContact CD2-CD2 4.11Å; L519-L522 PolarHBondContact O-N 2.83Å; L519-F523 HydrophobicContact CB-CD2 4.26Å; L519-F523 HydrophobicContact CB-CE2 3.94Å; L519-F523 HydrophobicContact CD2-CE2 3.93Å; L519-F523 HydrophobicContact CD2-CZ 3.84Å; L519-F523 HydrophobicContact CG-CE2 4.44Å; L519-F523 WeakPolarHBondContact O-CB 3.34Å; L519-F523 WeakPolarHBondContact O-CD2 3.46Å; L519-F523 VanDerWaalsContact O-CG 3.24Å; L519-F523 WeakPolarHBondContact O-CG 3.24Å; L519-F523 PolarHBondContact O-N 3.2Å
520W97.5Very high93.5Very high0 Ų015.8 Ų15.80%09%0.086CC..Hα-helixtrans-65.1-43.8171-65.3-2.4000110.9R516 L522 F523 S524 V604 L605 Y608 L617 V687 V690 D691 F694R516-W520 HydrophobicContact CB-CD2 4.25Å; R516-W520 HydrophobicContact CB-CZ2 4.09Å; R516-W520 HydrophobicContact CG-CZ2 4.25Å; R516-W520 VanDerWaalsContact O-CB 3.25Å; R516-W520 WeakPolarHBondContact O-CB 3.42Å; R516-W520 VanDerWaalsContact O-CD1 3.29Å; R516-W520 PolarHBondContact O-N 3.49Å; W520-L522 VanDerWaalsContact C-N 3.31Å; W520-L522 PolarHBondContact O-N 2.91Å; W520-F523 PolarHBondContact O-N 3.4Å; W520-S524 WeakPolarHBondContact O-CB 3.28Å; W520-S524 PolarHBondContact O-N 2.99Å; W520-S524 PolarHBondContact O-OG 3.15Å; W520-V604 HydrophobicContact CH2-CG1 4.08Å; W520-V604 HydrophobicContact CZ3-CG1 4.45Å; W520-L605 HydrophobicContact CE3-CD2 4.04Å; W520-L605 HydrophobicContact CZ3-CD2 4.04Å; W520-Y608 AromaticContact CH2-CD2 3.49Å; W520-Y608 HydrophobicContact CH2-CD2 3.49Å; W520-Y608 VanDerWaalsContact CH2-CD2 3.49Å; W520-Y608 HydrophobicContact CH2-CE2 4.15Å; W520-Y608 HydrophobicContact CH2-CG 4.14Å; W520-Y608 HydrophobicContact CZ2-CD2 4.39Å; W520-Y608 AromaticContact CZ3-CD2 3.84Å; W520-Y608 HydrophobicContact CZ3-CD2 3.84Å; W520-Y608 HydrophobicContact CZ3-CG 4.28Å; W520-L617 HydrophobicContact CB-CD1 4.25Å; W520-L617 HydrophobicContact CB-CD2 3.9Å; W520-L617 HydrophobicContact CE3-CD1 4.42Å; W520-V687 HydrophobicContact CH2-CG1 4.29Å; W520-V687 HydrophobicContact CZ2-CG1 4.04Å; W520-V690 HydrophobicContact CD2-CG1 4.48Å; W520-V690 HydrophobicContact CH2-CG1 3.77Å; W520-V690 HydrophobicContact CZ2-CB 4.21Å; W520-V690 HydrophobicContact CZ2-CG1 3.59Å; W520-V690 HydrophobicContact CZ3-CG1 4.29Å; W520-D691 PolarHBondContact NE1-OD1 2.93Å; W520-F694 HydrophobicContact CB-CB 4.48Å; W520-F694 HydrophobicContact CB-CD2 3.7Å; W520-F694 HydrophobicContact CB-CE2 3.97Å; W520-F694 HydrophobicContact CB-CG 4Å; W520-F694 HydrophobicContact CB-CZ 4.5Å; W520-F694 AromaticContact CD1-CD2 3.6Å; W520-F694 AromaticContact CD2-CD2 3.52Å; W520-F694 HydrophobicContact CD2-CD2 3.52Å; W520-F694 AromaticContact CD2-CE2 3.6Å; W520-F694 HydrophobicContact CD2-CE2 3.6Å; W520-F694 AromaticContact CE2-CD2 3.88Å; W520-F694 HydrophobicContact CE3-CD2 4.14Å; W520-F694 AromaticContact CE3-CE2 3.71Å; W520-F694 HydrophobicContact CE3-CE2 3.71Å; W520-F694 HydrophobicContact CG-CB 4.34Å; W520-F694 AromaticContact CG-CD2 3.31Å; W520-F694 HydrophobicContact CG-CD2 3.31Å; W520-F694 AromaticContact CG-CE2 3.75Å; W520-F694 HydrophobicContact CG-CE2 3.75Å; W520-F694 AromaticContact CG-CG 3.97Å; W520-F694 HydrophobicContact CG-CG 3.97Å; W520-F694 HydrophobicContact CZ3-CE2 4.38Å; W520-F694 AromaticContact NE1-CD2 3.93Å
521L96.3Very high93.4Very high6 Ų619.2 Ų19.23%0.03111%0.107CC..Hα-helixtrans-60.5-40.8174.6-76.7167.4000111.7G517 E518 S524 G525 A526 I527 M530 E613 L617G517-L521 WeakPolarHBondContact O-CB 3.37Å; G517-L521 VanDerWaalsContact O-CG 3.24Å; G517-L521 WeakPolarHBondContact O-CG 3.24Å; G517-L521 PolarHBondContact O-N 2.99Å; E518-L521 WeakPolarHBondContact O-CB 3.09Å; E518-L521 PolarHBondContact O-N 3Å; L521-S524 PolarHBondContact O-OG 3.38Å; L521-G525 CarbonylContact O-C 3.58Å; L521-G525 PolarHBondContact O-N 3.48Å; L521-A526 HydrophobicContact CD2-CB 3.86Å; L521-A526 PolarHBondContact O-N 2.94Å; L521-I527 HydrophobicContact CB-CB 4.15Å; L521-I527 WeakPolarHBondContact O-CG2 3.1Å; L521-I527 PolarHBondContact O-N 2.91Å; L521-I527 VanDerWaalsContact O-N 3.15Å; L521-M530 HydrophobicContact CD1-CE 4.31Å; L521-E613 HydrophobicContact CD1-CB 3.97Å; L521-E613 HydrophobicContact CD1-CG 3.84Å; L521-E613 HydrophobicContact CD2-CB 4.29Å; L521-L617 HydrophobicContact CD2-CD1 4.41Å; L521-L617 HydrophobicContact CD2-CD2 4.13Å; L521-L617 HydrophobicContact CD2-CG 3.86Å; L521-L617 HydrophobicContact CG-CD1 4.36Å; L521-L617 HydrophobicContact CG-CD2 4.29Å; L521-L617 HydrophobicContact CG-CG 4.23Å
522L95.2Very high93Very high6 Ų621.3 Ų21.33%0.03112%0.12CC..Hα-helixtrans-68.4-47.2178.2176.858.7000112.6G494 V495 M497 R499 E518 L519 W520G494-L522 WeakPolarHBondContact O-CD1 3.49Å; V495-L522 HydrophobicContact CB-CD1 4.49Å; V495-L522 HydrophobicContact CG2-CD1 4.4Å; M497-L522 HydrophobicContact CE-CD2 4.05Å; R499-L522 PolarHBondContact NH2-O 3.35Å; E518-L522 WeakPolarHBondContact O-CB 3.39Å; E518-L522 PolarHBondContact O-N 3.4Å; L519-L522 HydrophobicContact CD2-CD2 4.11Å; L519-L522 PolarHBondContact O-N 2.83Å; W520-L522 VanDerWaalsContact C-N 3.31Å; W520-L522 PolarHBondContact O-N 2.91Å
523F95.6Very high92.8Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-79.5-33.9-175-60.7-42000113.2R297 W484 M497 T503 V507 I511 L519 W520 G525 F694 Y695R297-F523 WeakPolarHBondContact CD-O 3.5Å; R297-F523 PolarHBondContact NH1-O 3.45Å; W484-F523 HydrophobicContact CH2-CE2 4.11Å; W484-F523 AromaticContact CH2-CZ 3.82Å; W484-F523 HydrophobicContact CH2-CZ 3.82Å; W484-F523 HydrophobicContact CZ3-CZ 4.09Å; M497-F523 HydrophobicContact CE-CE1 3.86Å; M497-F523 HydrophobicContact CE-CZ 4.33Å; T503-F523 HydrophobicContact CG2-CE1 4.06Å; T503-F523 HydrophobicContact CG2-CZ 3.93Å; V507-F523 HydrophobicContact CG2-CE2 4.01Å; V507-F523 HydrophobicContact CG2-CZ 4.45Å; I511-F523 HydrophobicContact CD1-CE2 4.29Å; L519-F523 HydrophobicContact CB-CD2 4.26Å; L519-F523 HydrophobicContact CB-CE2 3.94Å; L519-F523 HydrophobicContact CD2-CE2 3.93Å; L519-F523 HydrophobicContact CD2-CZ 3.84Å; L519-F523 HydrophobicContact CG-CE2 4.44Å; L519-F523 WeakPolarHBondContact O-CB 3.34Å; L519-F523 WeakPolarHBondContact O-CD2 3.46Å; L519-F523 VanDerWaalsContact O-CG 3.24Å; L519-F523 WeakPolarHBondContact O-CG 3.24Å; L519-F523 PolarHBondContact O-N 3.2Å; W520-F523 PolarHBondContact O-N 3.4Å; F523-G525 VanDerWaalsContact C-N 3.26Å; F523-G525 PolarHBondContact O-N 3.49Å; F523-F694 CarbonylContact C-O 3.23Å; F523-F694 WeakPolarHBondContact CB-O 3.49Å; F523-Y695 AromaticContact CD1-CD2 3.79Å; F523-Y695 HydrophobicContact CD1-CD2 3.79Å; F523-Y695 HydrophobicContact CD1-CE2 4.16Å; F523-Y695 AromaticContact CD2-CD2 3.9Å; F523-Y695 HydrophobicContact CD2-CD2 3.9Å; F523-Y695 AromaticContact CE1-CD2 3.75Å; F523-Y695 HydrophobicContact CE1-CD2 3.75Å; F523-Y695 AromaticContact CE1-CE2 3.85Å; F523-Y695 HydrophobicContact CE1-CE2 3.85Å; F523-Y695 AromaticContact CE2-CD2 3.85Å; F523-Y695 HydrophobicContact CE2-CD2 3.85Å; F523-Y695 AromaticContact CG-CD2 3.89Å; F523-Y695 HydrophobicContact CG-CD2 3.89Å; F523-Y695 AromaticContact CZ-CD2 3.78Å; F523-Y695 HydrophobicContact CZ-CD2 3.78Å; F523-Y695 HydrophobicContact CZ-CE2 4.1Å
524S94.8Very high92.8Very high0 Ų028.6 Ų28.60%016%0.161CC..Hα-helixtrans-68-23.6172.663.60000113.9W520 L521 A526 R624W520-S524 WeakPolarHBondContact O-CB 3.28Å; W520-S524 PolarHBondContact O-N 2.99Å; W520-S524 PolarHBondContact O-OG 3.15Å; L521-S524 PolarHBondContact O-OG 3.38Å; S524-A526 VanDerWaalsContact C-N 3.33Å; S524-A526 VanDerWaalsContact OG-CB 3.25Å; S524-A526 WeakPolarHBondContact OG-CB 3.3Å; S524-A526 PolarHBondContact OG-N 2.99Å; S524-A526 VanDerWaalsContact OG-N 3.16Å; S524-R624 PolarHBondContact O-NE 3.19Å; S524-R624 VanDerWaalsContact O-NE 3.12Å; S524-R624 PolarHBondContact O-NH2 2.82Å; S524-R624 VanDerWaalsContact O-NH2 3.12Å
525G93.1Very high92.8Very high3 Ų326.7 Ų26.73%0.03115%0.154CC..SBendtrans88.2-8.2-171.100000114.3L521 F523 I527 N528L521-G525 CarbonylContact O-C 3.58Å; L521-G525 PolarHBondContact O-N 3.48Å; F523-G525 VanDerWaalsContact C-N 3.26Å; F523-G525 PolarHBondContact O-N 3.49Å; G525-I527 PolarHBondContact O-N 3.09Å; G525-I527 VanDerWaalsContact O-N 3.16Å; G525-N528 WeakPolarHBondContact O-CB 3.47Å; G525-N528 PolarHBondContact O-N 3.28Å; G525-N528 PolarHBondContact O-ND2 3.49Å
526A94.9Very high92.8Very high0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-54.3-34.9-175.900000113.9L521 S524 N528 E529 M530 W616 L617 A620L521-A526 HydrophobicContact CD2-CB 3.86Å; L521-A526 PolarHBondContact O-N 2.94Å; S524-A526 VanDerWaalsContact C-N 3.33Å; S524-A526 VanDerWaalsContact OG-CB 3.25Å; S524-A526 WeakPolarHBondContact OG-CB 3.3Å; S524-A526 PolarHBondContact OG-N 2.99Å; S524-A526 VanDerWaalsContact OG-N 3.16Å; A526-N528 PolarHBondContact O-N 2.9Å; A526-E529 PolarHBondContact O-N 3.32Å; A526-E529 VanDerWaalsContact O-N 3.08Å; A526-M530 PolarHBondContact O-N 3.32Å; A526-M530 VanDerWaalsContact O-N 3.11Å; A526-W616 HydrophobicContact CB-CB 4.24Å; A526-W616 WeakPolarHBondContact CB-O 3.35Å; A526-L617 HydrophobicContact CB-CD2 4.27Å; A526-A620 HydrophobicContact CB-CB 3.83Å
527I93.1Very high92.7Very high33 Ų3328.6 Ų28.617%0.16916%0.161CC..Hα-helixtrans-51.6-32.2176.1-167.5167.8000112.7V495 L521 G525 T531V495-I527 HydrophobicContact CG2-CD1 4.3Å; V495-I527 HydrophobicContact CG2-CG2 3.78Å; L521-I527 HydrophobicContact CB-CB 4.15Å; L521-I527 WeakPolarHBondContact O-CG2 3.1Å; L521-I527 PolarHBondContact O-N 2.91Å; L521-I527 VanDerWaalsContact O-N 3.15Å; G525-I527 PolarHBondContact O-N 3.09Å; G525-I527 VanDerWaalsContact O-N 3.16Å; I527-T531 WeakPolarHBondContact O-CB 3.46Å; I527-T531 PolarHBondContact O-N 2.84Å; I527-T531 VanDerWaalsContact O-N 3.1Å; I527-T531 PolarHBondContact O-OG1 3.34Å
528N90.6Very high92.6Very high4 Ų432.3 Ų32.32%0.02118%0.177CC..Hα-helixtrans-70-44.6-179.9-70-64000112.5Y331 R349 G525 A526 T531 T532Y331-N528 WeakPolarHBondContact OH-CB 3.44Å; R349-N528 PolarHBondContact NH1-OD1 2.9Å; R349-N528 PolarHBondContact NH2-OD1 3.47Å; G525-N528 WeakPolarHBondContact O-CB 3.47Å; G525-N528 PolarHBondContact O-N 3.28Å; G525-N528 PolarHBondContact O-ND2 3.49Å; A526-N528 PolarHBondContact O-N 2.9Å; N528-T531 PolarHBondContact O-N 2.83Å; N528-T532 WeakPolarHBondContact O-CG2 3.23Å; N528-T532 PolarHBondContact O-N 3.26Å; N528-T532 PolarHBondContact O-OG1 3.04Å
529E89.4Confident92.5Very high17 Ų1731 Ų318%0.07917%0.173CC..Hα-helixtrans-71.8-40.5-177.5-71.7157.2-79.700110.8P299 A526 T531 T532 H533 W616 R624P299-E529 HydrophobicContact CB-CG 4.08Å; P299-E529 HydrophobicContact CG-CG 3.82Å; A526-E529 PolarHBondContact O-N 3.32Å; A526-E529 VanDerWaalsContact O-N 3.08Å; E529-T531 PolarHBondContact O-N 2.81Å; E529-T532 PolarHBondContact O-N 2.98Å; E529-T532 PolarHBondContact O-OG1 3.24Å; E529-H533 PolarHBondContact O-N 3.07Å; E529-H533 PolarHBondContact O-ND1 2.72Å; E529-W616 HydrophobicContact CB-CE3 3.8Å; E529-W616 HydrophobicContact CB-CH2 4.46Å; E529-W616 HydrophobicContact CB-CZ3 3.7Å; E529-R624 IonicContact OE1-CZ 3.46Å; E529-R624 IonicContact OE1-NH1 3.33Å; E529-R624 PolarHBondContact OE1-NH1 3.24Å; E529-R624 IonicContact OE1-NH2 2.69Å; E529-R624 PolarHBondContact OE1-NH2 3.42Å; E529-R624 IonicContact OE2-NH1 2.77Å
530M92Very high92.3Very high40 Ų4031.6 Ų31.620%0.19718%0.176CC..Hα-helixtrans-56.6-47.4170.7-172.8172.678.200111.6L521 A526 T532 H533 E612 E613 W616L521-M530 HydrophobicContact CD1-CE 4.31Å; A526-M530 PolarHBondContact O-N 3.32Å; A526-M530 VanDerWaalsContact O-N 3.11Å; M530-T532 PolarHBondContact O-N 3.38Å; M530-H533 PolarHBondContact O-N 2.64Å; M530-E612 HydrophobicContact CG-CG 4.44Å; M530-E612 HydrophobicContact SD-CG 4.27Å; M530-E613 HydrophobicContact CE-CG 4.38Å; M530-E613 HydrophobicContact SD-CG 4Å; M530-W616 HydrophobicContact CB-CB 4.34Å; M530-W616 HydrophobicContact CB-CD2 4.12Å; M530-W616 HydrophobicContact CB-CG 3.75Å; M530-W616 VanDerWaalsContact CG-CD1 3.41Å; M530-W616 HydrophobicContact CG-CG 4.15Å
531T88.1Confident92.1Very high73 Ų7331.7 Ų31.745%0.44818%0.177SC..Hα-helixtrans-64.6-26.3-179.6-54.50000113.1I527 N528 E529I527-T531 WeakPolarHBondContact O-CB 3.46Å; I527-T531 PolarHBondContact O-N 2.84Å; I527-T531 VanDerWaalsContact O-N 3.1Å; I527-T531 PolarHBondContact O-OG1 3.34Å; N528-T531 PolarHBondContact O-N 2.83Å; E529-T531 PolarHBondContact O-N 2.81Å
532T86.3Confident91.8Very high44 Ų4436.7 Ų36.727%0.2720%0.2SC..Hα-helixtrans-97.2-0.2-179.758.80000114.4N528 E529 M530N528-T532 WeakPolarHBondContact O-CG2 3.23Å; N528-T532 PolarHBondContact O-N 3.26Å; N528-T532 PolarHBondContact O-OG1 3.04Å; E529-T532 PolarHBondContact O-N 2.98Å; E529-T532 PolarHBondContact O-OG1 3.24Å; M530-T532 PolarHBondContact O-N 3.38Å
533H88.9Confident91.5Very high79 Ų7941 Ų4137%0.36622%0.218SC..SBendtrans-134.356.1-179.7-57.8100.3000111.9E529 M530 G535 Y536 W616E529-H533 PolarHBondContact O-N 3.07Å; E529-H533 PolarHBondContact O-ND1 2.72Å; M530-H533 PolarHBondContact O-N 2.64Å; H533-G535 PolarHBondContact O-N 3.25Å; H533-Y536 HydrophobicContact CB-CD1 4.49Å; H533-Y536 HydrophobicContact CB-CG 4.23Å; H533-Y536 WeakPolarHBondContact O-CB 3.05Å; H533-Y536 PolarHBondContact O-N 3.14Å; H533-Y536 VanDerWaalsContact O-N 3.17Å; H533-W616 HydrophobicContact CB-CH2 3.75Å; H533-W616 HydrophobicContact CB-CZ2 3.74Å; H533-W616 AromaticContact CG-CH2 3.93Å; H533-W616 AromaticContact ND1-CH2 3.76Å
534P88.8Confident91.2Very high88 Ų8841.1 Ų41.157%0.57122%0.219SC*.THydrogen-bonded Turntrans-60.1133.2-178.727.1-35.6000111.8Y536P534-Y536 PolarHBondContact O-N 3.48Å
535G89.1Confident90.6Very high38 Ų3846.4 Ų46.439%0.39225%0.245SC..THydrogen-bonded Turntrans81.6-12.3-178.200000115H533 Y537 E538 D539H533-G535 PolarHBondContact O-N 3.25Å; G535-Y537 VanDerWaalsContact C-N 3.29Å; G535-Y537 PolarHBondContact O-N 2.99Å; G535-E538 PolarHBondContact O-N 3.48Å; G535-E538 VanDerWaalsContact O-N 3.16Å; G535-D539 VanDerWaalsContact O-CB 3.27Å; G535-D539 WeakPolarHBondContact O-CB 3.45Å; G535-D539 PolarHBondContact O-N 3.48Å
536Y92.6Very high89.7Confident62 Ų6250.5 Ų50.524%0.24329%0.288CS..Hα-helixtrans-61.9-29.5-172.5178.4-105.3000114.5H533 P534 L540 R588 F615 W616H533-Y536 HydrophobicContact CB-CD1 4.49Å; H533-Y536 HydrophobicContact CB-CG 4.23Å; H533-Y536 WeakPolarHBondContact O-CB 3.05Å; H533-Y536 PolarHBondContact O-N 3.14Å; H533-Y536 VanDerWaalsContact O-N 3.17Å; P534-Y536 PolarHBondContact O-N 3.48Å; Y536-L540 HydrophobicContact CD1-CD1 3.88Å; Y536-L540 HydrophobicContact CE1-CD1 3.38Å; Y536-L540 HydrophobicContact CE1-CG 4.26Å; Y536-L540 HydrophobicContact CE2-CD1 4.28Å; Y536-L540 HydrophobicContact CE2-CG 4.32Å; Y536-L540 WeakPolarHBondContact O-CB 3.42Å; Y536-L540 VanDerWaalsContact O-CG 3.32Å; Y536-L540 WeakPolarHBondContact O-CG 3.18Å; Y536-L540 PolarHBondContact O-N 2.91Å; Y536-L540 VanDerWaalsContact O-N 3.08Å; Y536-R588 PolarHBondContact OH-NH1 3.46Å; Y536-F615 HydrophobicContact CD1-CE1 4.39Å; Y536-F615 HydrophobicContact CE1-CE1 4.45Å; Y536-F615 HydrophobicContact CE1-CZ 4.33Å; Y536-W616 AromaticContact CD1-CH2 3.5Å; Y536-W616 HydrophobicContact CD1-CH2 3.5Å; Y536-W616 VanDerWaalsContact CD1-CH2 3.5Å; Y536-W616 AromaticContact CD1-CZ2 3.57Å; Y536-W616 HydrophobicContact CD1-CZ2 3.57Å; Y536-W616 AromaticContact CE1-CH2 3.92Å; Y536-W616 HydrophobicContact CE1-CH2 3.92Å; Y536-W616 HydrophobicContact CE1-CZ2 4.38Å; Y536-W616 HydrophobicContact CG-CH2 4.44Å; Y536-W616 HydrophobicContact CG-CZ2 4.36Å
537Y94.8Very high89Confident5 Ų555.6 Ų55.62%0.0231%0.31CS..Hα-helixtrans-70.2-46.5174.5176.9-110.3000112.5T453 G535 D539 L540 V541 R580 V581 A584 E611 E612 F615T453-Y537 HydrophobicContact CG2-CE1 4.24Å; G535-Y537 VanDerWaalsContact C-N 3.29Å; G535-Y537 PolarHBondContact O-N 2.99Å; Y537-D539 VanDerWaalsContact C-N 3.33Å; Y537-D539 PolarHBondContact O-N 3.15Å; Y537-L540 WeakPolarHBondContact O-CB 3.24Å; Y537-L540 PolarHBondContact O-N 3.19Å; Y537-L540 VanDerWaalsContact O-N 3.15Å; Y537-V541 HydrophobicContact CD1-CG2 4.3Å; Y537-V541 HydrophobicContact CD2-CG2 4.27Å; Y537-V541 HydrophobicContact CE1-CG2 3.76Å; Y537-V541 HydrophobicContact CE2-CG2 3.72Å; Y537-V541 VanDerWaalsContact CZ-CG2 3.42Å; Y537-V541 WeakPolarHBondContact O-CG2 3.32Å; Y537-V541 PolarHBondContact O-N 2.83Å; Y537-R580 WeakPolarHBondContact OH-CB 3.29Å; Y537-V581 HydrophobicContact CE2-CG2 4.38Å; Y537-V581 WeakPolarHBondContact OH-CG2 3.12Å; Y537-V581 PolarHBondContact OH-N 3.13Å; Y537-A584 HydrophobicContact CD2-CB 4.33Å; Y537-A584 HydrophobicContact CE2-CB 3.83Å; Y537-E611 HydrophobicContact CE1-CB 4.44Å; Y537-E611 HydrophobicContact CE1-CG 3.99Å; Y537-E611 WeakPolarHBondContact OH-CG 3.37Å; Y537-E611 PolarHBondContact OH-OE1 2.83Å; Y537-E612 HydrophobicContact CD1-CB 3.77Å; Y537-E612 HydrophobicContact CD1-CG 4.42Å; Y537-E612 HydrophobicContact CG-CB 4.07Å; Y537-E612 HydrophobicContact CG-CG 4.26Å; Y537-F615 HydrophobicContact CD2-CB 3.63Å; Y537-F615 AromaticContact CD2-CD1 3.6Å; Y537-F615 HydrophobicContact CD2-CD1 3.6Å; Y537-F615 AromaticContact CD2-CD2 3.67Å; Y537-F615 HydrophobicContact CD2-CD2 3.67Å; Y537-F615 HydrophobicContact CD2-CE1 4.14Å; Y537-F615 HydrophobicContact CD2-CE2 4.19Å; Y537-F615 AromaticContact CD2-CG 3.34Å; Y537-F615 HydrophobicContact CD2-CG 3.34Å; Y537-F615 HydrophobicContact CD2-CZ 4.41Å; Y537-F615 HydrophobicContact CE2-CB 3.68Å; Y537-F615 HydrophobicContact CE2-CD1 4.43Å; Y537-F615 AromaticContact CE2-CD2 3.81Å; Y537-F615 HydrophobicContact CE2-CD2 3.81Å; Y537-F615 AromaticContact CE2-CG 3.72Å; Y537-F615 HydrophobicContact CE2-CG 3.72Å; Y537-F615 HydrophobicContact CG-CB 4.43Å; Y537-F615 HydrophobicContact CG-CD1 4.23Å; Y537-F615 HydrophobicContact CG-CG 4.3Å
538E92.1Very high88.1Confident82 Ų8261.8 Ų61.838%0.38333%0.332SS..Hα-helixtrans-59.6-47176.9-176.2169-14900110.5S450 G535 L540 V541 E542S450-E538 WeakPolarHBondContact CB-OE1 3.02Å; G535-E538 PolarHBondContact O-N 3.48Å; G535-E538 VanDerWaalsContact O-N 3.16Å; E538-L540 VanDerWaalsContact C-N 3.27Å; E538-L540 PolarHBondContact O-N 3.5Å; E538-V541 PolarHBondContact O-N 3.18Å; E538-E542 PolarHBondContact O-N 3.37Å
539D92.5Very high87.6Confident71 Ų7165.1 Ų65.138%0.3835%0.35SS..Hα-helixtrans-56.5-35.6175.1-154.350000112.5G535 Y537 K543G535-D539 VanDerWaalsContact O-CB 3.27Å; G535-D539 WeakPolarHBondContact O-CB 3.45Å; G535-D539 PolarHBondContact O-N 3.48Å; Y537-D539 VanDerWaalsContact C-N 3.33Å; Y537-D539 PolarHBondContact O-N 3.15Å; D539-K543 WeakPolarHBondContact O-CB 3.48Å; D539-K543 WeakPolarHBondContact O-CD 3.49Å; D539-K543 VanDerWaalsContact O-CE 3.23Å; D539-K543 WeakPolarHBondContact O-CE 3.33Å; D539-K543 WeakPolarHBondContact O-CG 3.22Å; D539-K543 PolarHBondContact O-N 2.87Å; D539-K543 WeakPolarHBondContact OD1-CE 3.08Å; D539-K543 IonicContact OD1-NZ 3.91Å; D539-K543 PolarHBondContact OD1-NZ 3.37Å; D539-K543 IonicContact OD2-NZ 2.73Å; D539-K543 PolarHBondContact OD2-NZ 2.91Å
540L93.1Very high87.2Confident12 Ų1269.4 Ų69.46%0.06337%0.373CS..Hα-helixtrans-78.1-36.6173-80.6173000113.6Y536 Y537 E538 K543 S544 A584 F587 R588 F615Y536-L540 HydrophobicContact CD1-CD1 3.88Å; Y536-L540 HydrophobicContact CE1-CD1 3.38Å; Y536-L540 HydrophobicContact CE1-CG 4.26Å; Y536-L540 HydrophobicContact CE2-CD1 4.28Å; Y536-L540 HydrophobicContact CE2-CG 4.32Å; Y536-L540 WeakPolarHBondContact O-CB 3.42Å; Y536-L540 VanDerWaalsContact O-CG 3.32Å; Y536-L540 WeakPolarHBondContact O-CG 3.18Å; Y536-L540 PolarHBondContact O-N 2.91Å; Y536-L540 VanDerWaalsContact O-N 3.08Å; Y537-L540 WeakPolarHBondContact O-CB 3.24Å; Y537-L540 PolarHBondContact O-N 3.19Å; Y537-L540 VanDerWaalsContact O-N 3.15Å; E538-L540 VanDerWaalsContact C-N 3.27Å; E538-L540 PolarHBondContact O-N 3.5Å; L540-K543 PolarHBondContact O-N 3.32Å; L540-S544 WeakPolarHBondContact O-CB 3.45Å; L540-S544 PolarHBondContact O-N 2.86Å; L540-S544 PolarHBondContact O-OG 3.14Å; L540-A584 HydrophobicContact CB-CB 4.19Å; L540-F587 HydrophobicContact CD2-CD1 3.88Å; L540-F587 HydrophobicContact CD2-CE1 4.35Å; L540-R588 HydrophobicContact CD1-CB 3.94Å; L540-R588 HydrophobicContact CD1-CG 4.47Å; L540-R588 HydrophobicContact CD2-CB 4.28Å; L540-F615 HydrophobicContact CD1-CE1 4.31Å; L540-F615 HydrophobicContact CD1-CE2 4.05Å; L540-F615 HydrophobicContact CD1-CZ 3.47Å; L540-F615 VanDerWaalsContact CD1-CZ 3.47Å
541V92.8Very high86.8Confident2 Ų268.3 Ų68.31%0.01237%0.37CS..Hα-helixtrans-62.4-51.5176.3167.30000109.5V451 Y537 E538 K543 S544 M545 R580 A584V451-V541 HydrophobicContact CG1-CG1 4.07Å; Y537-V541 HydrophobicContact CD1-CG2 4.3Å; Y537-V541 HydrophobicContact CD2-CG2 4.27Å; Y537-V541 HydrophobicContact CE1-CG2 3.76Å; Y537-V541 HydrophobicContact CE2-CG2 3.72Å; Y537-V541 VanDerWaalsContact CZ-CG2 3.42Å; Y537-V541 WeakPolarHBondContact O-CG2 3.32Å; Y537-V541 PolarHBondContact O-N 2.83Å; E538-V541 PolarHBondContact O-N 3.18Å; V541-K543 VanDerWaalsContact C-N 3.3Å; V541-K543 PolarHBondContact O-N 3.17Å; V541-S544 PolarHBondContact O-N 2.88Å; V541-S544 VanDerWaalsContact O-N 3.13Å; V541-S544 PolarHBondContact O-OG 2.83Å; V541-M545 HydrophobicContact CG1-CG 4.09Å; V541-M545 HydrophobicContact CG1-SD 3.76Å; V541-M545 WeakPolarHBondContact O-CB 3.26Å; V541-M545 WeakPolarHBondContact O-CG 3.14Å; V541-M545 PolarHBondContact O-N 2.81Å; V541-R580 HydrophobicContact CG1-CG 4.28Å; V541-R580 HydrophobicContact CG2-CB 4.34Å; V541-A584 HydrophobicContact CG2-CB 4.19Å
542E90.4Very high86.8Confident111 Ų11165.5 Ų65.552%0.51935%0.353SS..Hα-helixtrans-56.9-43.8176.1-68.4-163.715600112.3V451 E538 S544V451-E542 HydrophobicContact CG2-CG 4.16Å; E538-E542 PolarHBondContact O-N 3.37Å; E542-S544 VanDerWaalsContact C-N 3.26Å; E542-S544 PolarHBondContact O-N 2.97Å
543K89.1Confident86.8Confident96 Ų9667 Ų6742%0.41736%0.357SS..Hα-helixtrans-75-11.1-178.4-69.1166.4-153.41770113.8D539 L540 V541 K547 F587D539-K543 WeakPolarHBondContact O-CB 3.48Å; D539-K543 WeakPolarHBondContact O-CD 3.49Å; D539-K543 VanDerWaalsContact O-CE 3.23Å; D539-K543 WeakPolarHBondContact O-CE 3.33Å; D539-K543 WeakPolarHBondContact O-CG 3.22Å; D539-K543 PolarHBondContact O-N 2.87Å; D539-K543 WeakPolarHBondContact OD1-CE 3.08Å; D539-K543 IonicContact OD1-NZ 3.91Å; D539-K543 PolarHBondContact OD1-NZ 3.37Å; D539-K543 IonicContact OD2-NZ 2.73Å; D539-K543 PolarHBondContact OD2-NZ 2.91Å; L540-K543 PolarHBondContact O-N 3.32Å; V541-K543 VanDerWaalsContact C-N 3.3Å; V541-K543 PolarHBondContact O-N 3.17Å; K543-K547 WeakPolarHBondContact O-CD 3.49Å; K543-K547 WeakPolarHBondContact O-CE 3.17Å; K543-K547 PolarHBondContact O-NZ 3.06Å; K543-F587 HydrophobicContact CB-CD1 4.46Å; K543-F587 HydrophobicContact CB-CE1 3.81Å; K543-F587 HydrophobicContact CB-CZ 4.49Å
544S89Confident86.8Confident4 Ų465.7 Ų65.73%0.02835%0.351CS..Hα-helixtrans-112.1-25.4-179.363.70000113.9L540 V541 E542 G546 K547L540-S544 WeakPolarHBondContact O-CB 3.45Å; L540-S544 PolarHBondContact O-N 2.86Å; L540-S544 PolarHBondContact O-OG 3.14Å; V541-S544 PolarHBondContact O-N 2.88Å; V541-S544 VanDerWaalsContact O-N 3.13Å; V541-S544 PolarHBondContact O-OG 2.83Å; E542-S544 VanDerWaalsContact C-N 3.26Å; E542-S544 PolarHBondContact O-N 2.97Å; S544-G546 PolarHBondContact O-N 2.89Å; S544-K547 WeakPolarHBondContact O-CB 3.44Å; S544-K547 PolarHBondContact O-N 2.89Å
545M81.9Confident87Confident110 Ų11061.5 Ų61.554%0.54232%0.324SS..THydrogen-bonded Turntrans-57.4135.5175.2-79.8-17569.700112.1V451 V541 K547V451-M545 HydrophobicContact CG1-SD 3.89Å; V451-M545 HydrophobicContact CG2-SD 4.35Å; V541-M545 HydrophobicContact CG1-CG 4.09Å; V541-M545 HydrophobicContact CG1-SD 3.76Å; V541-M545 WeakPolarHBondContact O-CB 3.26Å; V541-M545 WeakPolarHBondContact O-CG 3.14Å; V541-M545 PolarHBondContact O-N 2.81Å; M545-K547 PolarHBondContact O-N 2.85Å
546G74.6Confident87.1Confident89 Ų8963.3 Ų63.392%0.91832%0.322SS*.THydrogen-bonded Turntrans75.1-3179.300000115.7S544S544-G546 PolarHBondContact O-N 2.89Å
547K78.9Confident86.9Confident108 Ų10866.4 Ų66.447%0.4733%0.333SS..  trans-77.5150.2168.5-69.4-178.7176.6164.50110.6K543 S544 M545 F587K543-K547 WeakPolarHBondContact O-CD 3.49Å; K543-K547 WeakPolarHBondContact O-CE 3.17Å; K543-K547 PolarHBondContact O-NZ 3.06Å; S544-K547 WeakPolarHBondContact O-CB 3.44Å; S544-K547 PolarHBondContact O-N 2.89Å; M545-K547 PolarHBondContact O-N 2.85Å; K547-F587 HydrophobicContact CD-CD2 4.34Å; K547-F587 HydrophobicContact CD-CE2 4.04Å; K547-F587 VanDerWaalsContact NZ-CE2 3.31Å; K547-F587 VanDerWaalsContact NZ-CZ 3.25Å
548Y76Confident86.8Confident163 Ų16366.2 Ų66.264%0.63933%0.332SS*.  trans-132122.6-176-167.3-89000109.6E553Y548-E553 HydrophobicContact CE1-CG 3.93Å; Y548-E553 WeakPolarHBondContact CE1-OE1 3.27Å; Y548-E553 HydrophobicContact CE2-CG 4.21Å; Y548-E553 WeakPolarHBondContact OH-CG 3.5Å; Y548-E553 PolarHBondContact OH-OE1 2.78Å
549N79.8Confident86.6Confident73 Ų7362.3 Ų62.339%0.3931%0.314SS..  trans-155173.7176.764.232.8000110A551 T552 E553N549-A551 VanDerWaalsContact C-N 3.32Å; N549-A551 PolarHBondContact O-N 3.46Å; N549-A551 WeakPolarHBondContact OD1-CB 3.49Å; N549-A551 PolarHBondContact OD1-N 2.97Å; N549-A551 VanDerWaalsContact OD1-N 3.16Å; N549-T552 PolarHBondContact N-OG1 3.24Å; N549-T552 PolarHBondContact O-N 2.88Å; N549-T552 PolarHBondContact O-OG1 3.44Å; N549-T552 PolarHBondContact OD1-N 3.04Å; N549-T552 PolarHBondContact OD1-OG1 3.01Å; N549-E553 PolarHBondContact O-N 3.47Å; N549-E553 VanDerWaalsContact O-N 3.12Å
550L80.5Confident86.2Confident107 Ų10765.2 Ų65.256%0.5633%0.325SS*.Hα-helixtrans-51.5-48-179.9-179.162.7000112.5T552 E553 E554L550-T552 VanDerWaalsContact C-N 3.3Å; L550-T552 PolarHBondContact O-N 2.8Å; L550-E553 WeakPolarHBondContact O-CB 3.45Å; L550-E553 PolarHBondContact O-N 2.99Å; L550-E553 VanDerWaalsContact O-N 3.07Å; L550-E554 HydrophobicContact CD1-CG 4.26Å; L550-E554 HydrophobicContact CG-CG 4.43Å; L550-E554 WeakPolarHBondContact O-CG 3.38Å; L550-E554 PolarHBondContact O-N 2.99Å
551A84.1Confident85.8Confident17 Ų1770.1 Ų70.114%0.1434%0.343CS..Hα-helixtrans-58.6-38.8179.500000112.6N549 E554 I555 A586N549-A551 VanDerWaalsContact C-N 3.32Å; N549-A551 PolarHBondContact O-N 3.46Å; N549-A551 WeakPolarHBondContact OD1-CB 3.49Å; N549-A551 PolarHBondContact OD1-N 2.97Å; N549-A551 VanDerWaalsContact OD1-N 3.16Å; A551-E554 PolarHBondContact O-N 2.87Å; A551-I555 WeakPolarHBondContact O-CB 3.48Å; A551-I555 WeakPolarHBondContact O-CD1 3.36Å; A551-I555 WeakPolarHBondContact O-CG1 3.24Å; A551-I555 PolarHBondContact O-N 2.94Å; A551-A586 HydrophobicContact CB-CB 4.13Å
552T86.8Confident85.3Confident14 Ų1470 Ų709%0.08634%0.343CS..Hα-helixtrans-69-36.2174.754.20000113.2N549 L550 E554 I555 E556 T583N549-T552 PolarHBondContact N-OG1 3.24Å; N549-T552 PolarHBondContact O-N 2.88Å; N549-T552 PolarHBondContact O-OG1 3.44Å; N549-T552 PolarHBondContact OD1-N 3.04Å; N549-T552 PolarHBondContact OD1-OG1 3.01Å; L550-T552 VanDerWaalsContact C-N 3.3Å; L550-T552 PolarHBondContact O-N 2.8Å; T552-E554 VanDerWaalsContact C-N 3.34Å; T552-I555 PolarHBondContact O-N 2.99Å; T552-E556 WeakPolarHBondContact O-CG 3.47Å; T552-E556 PolarHBondContact O-N 3.45Å; T552-T583 HydrophobicContact CG2-CG2 3.94Å
553E86.9Confident84.7Confident75 Ų7566.3 Ų66.335%0.3533%0.326SS..Hα-helixtrans-62-43.7173.3-63.8-173.9160.800111.2Y548 N549 L550 E556 R557Y548-E553 HydrophobicContact CE1-CG 3.93Å; Y548-E553 WeakPolarHBondContact CE1-OE1 3.27Å; Y548-E553 HydrophobicContact CE2-CG 4.21Å; Y548-E553 WeakPolarHBondContact OH-CG 3.5Å; Y548-E553 PolarHBondContact OH-OE1 2.78Å; N549-E553 PolarHBondContact O-N 3.47Å; N549-E553 VanDerWaalsContact O-N 3.12Å; L550-E553 WeakPolarHBondContact O-CB 3.45Å; L550-E553 PolarHBondContact O-N 2.99Å; L550-E553 VanDerWaalsContact O-N 3.07Å; E553-E556 PolarHBondContact O-N 2.87Å; E553-R557 PolarHBondContact O-N 3.16Å
554E89.9Confident83.8Confident53 Ų5365 Ų6525%0.24833%0.327CS..Hα-helixtrans-68.5-35.6179-61.5-142.1108.100112.6L550 A551 T552 R557 D558 Y594L550-E554 HydrophobicContact CD1-CG 4.26Å; L550-E554 HydrophobicContact CG-CG 4.43Å; L550-E554 WeakPolarHBondContact O-CG 3.38Å; L550-E554 PolarHBondContact O-N 2.99Å; A551-E554 PolarHBondContact O-N 2.87Å; T552-E554 VanDerWaalsContact C-N 3.34Å; E554-R557 VanDerWaalsContact CD-NH2 3.3Å; E554-R557 IonicContact OE1-CZ 2.67Å; E554-R557 IonicContact OE1-NH1 2.66Å; E554-R557 PolarHBondContact OE1-NH1 3.5Å; E554-R557 IonicContact OE1-NH2 3.38Å; E554-R557 PolarHBondContact OE1-NH2 2.86Å; E554-D558 VanDerWaalsContact O-CB 3.26Å; E554-D558 WeakPolarHBondContact O-CB 3.26Å; E554-D558 PolarHBondContact O-N 3.43Å; E554-Y594 HydrophobicContact CB-CD1 3.67Å; E554-Y594 HydrophobicContact CB-CE1 3.94Å
555I92.1Very high83Confident0 Ų068 Ų680%034%0.341CS..Hα-helixtrans-61.2-54.1171.9-72.5161.7000110.1A551 T552 R557 D558 L559 L582 Y594A551-I555 WeakPolarHBondContact O-CB 3.48Å; A551-I555 WeakPolarHBondContact O-CD1 3.36Å; A551-I555 WeakPolarHBondContact O-CG1 3.24Å; A551-I555 PolarHBondContact O-N 2.94Å; T552-I555 PolarHBondContact O-N 2.99Å; I555-R557 VanDerWaalsContact C-N 3.27Å; I555-R557 PolarHBondContact O-N 2.93Å; I555-D558 CarbonylContact O-C 3.52Å; I555-D558 WeakPolarHBondContact O-CA 3.47Å; I555-D558 PolarHBondContact O-N 2.8Å; I555-L559 HydrophobicContact CG2-CD1 4.29Å; I555-L559 HydrophobicContact CG2-CD2 4.08Å; I555-L559 HydrophobicContact CG2-CG 4.03Å; I555-L559 WeakPolarHBondContact O-CG 3.07Å; I555-L559 PolarHBondContact O-N 2.93Å; I555-L582 HydrophobicContact CD1-CB 3.72Å; I555-L582 HydrophobicContact CG1-CB 3.99Å; I555-L582 HydrophobicContact CG1-CD1 4.39Å; I555-L582 HydrophobicContact CG2-CB 4.22Å; I555-L582 HydrophobicContact CG2-CD1 4.11Å; I555-Y594 HydrophobicContact CD1-CD2 4.15Å; I555-Y594 HydrophobicContact CD1-CG 4.23Å; I555-Y594 HydrophobicContact CG1-CD1 4.14Å; I555-Y594 HydrophobicContact CG1-CD2 3.52Å; I555-Y594 HydrophobicContact CG1-CE2 3.95Å; I555-Y594 HydrophobicContact CG1-CG 3.63Å
556E91Very high82.8Confident75 Ų7563.6 Ų63.635%0.3532%0.319SS..Hα-helixtrans-57.4-39.3-177.1-69.3-54.5140.900113.3T552 E553 D558 R579T552-E556 WeakPolarHBondContact O-CG 3.47Å; T552-E556 PolarHBondContact O-N 3.45Å; E553-E556 PolarHBondContact O-N 2.87Å; E556-D558 PolarHBondContact O-N 3.4Å; E556-R579 VanDerWaalsContact OE1-CD 3.32Å; E556-R579 WeakPolarHBondContact OE1-CD 3.23Å; E556-R579 IonicContact OE1-CZ 2.93Å; E556-R579 IonicContact OE1-NE 3.8Å; E556-R579 PolarHBondContact OE1-NE 2.85Å; E556-R579 IonicContact OE1-NH2 2.87Å; E556-R579 IonicContact OE2-CZ 2.69Å; E556-R579 IonicContact OE2-NE 3.89Å; E556-R579 PolarHBondContact OE2-NE 3.22Å; E556-R579 IonicContact OE2-NH2 3.81Å; E556-R579 PolarHBondContact OE2-NH2 3.26Å
557R89.6Confident83Confident128 Ų12862.5 Ų62.548%0.48330%0.295SS..Hα-helixtrans-62.4-30.4173.9-176.2-17267-153.50.9112.6E553 E554 I555E553-R557 PolarHBondContact O-N 3.16Å; E554-R557 VanDerWaalsContact CD-NH2 3.3Å; E554-R557 IonicContact OE1-CZ 2.67Å; E554-R557 IonicContact OE1-NH1 2.66Å; E554-R557 PolarHBondContact OE1-NH1 3.5Å; E554-R557 IonicContact OE1-NH2 3.38Å; E554-R557 PolarHBondContact OE1-NH2 2.86Å; I555-R557 VanDerWaalsContact C-N 3.27Å; I555-R557 PolarHBondContact O-N 2.93Å
558D90.8Very high83.1Confident0 Ų057.3 Ų57.30%027%0.273CS..Hα-helixtrans-98.6-26.2-170.6-73.414.4000113.9E554 I555 E556 H560 R561 S562 Y594 N599E554-D558 VanDerWaalsContact O-CB 3.26Å; E554-D558 WeakPolarHBondContact O-CB 3.26Å; E554-D558 PolarHBondContact O-N 3.43Å; I555-D558 CarbonylContact O-C 3.52Å; I555-D558 WeakPolarHBondContact O-CA 3.47Å; I555-D558 PolarHBondContact O-N 2.8Å; E556-D558 PolarHBondContact O-N 3.4Å; D558-H560 PolarHBondContact O-N 3.33Å; D558-R561 WeakPolarHBondContact O-CG 3.36Å; D558-R561 PolarHBondContact O-N 3.06Å; D558-R561 VanDerWaalsContact O-N 3.09Å; D558-R561 IonicContact OD1-CZ 2.7Å; D558-R561 VanDerWaalsContact OD1-CZ 3.26Å; D558-R561 IonicContact OD1-NE 2.77Å; D558-R561 PolarHBondContact OD1-NE 2.88Å; D558-R561 IonicContact OD1-NH2 2.95Å; D558-R561 PolarHBondContact OD1-NH2 3.29Å; D558-R561 IonicContact OD2-CZ 3.04Å; D558-R561 IonicContact OD2-NE 3.45Å; D558-R561 IonicContact OD2-NH2 3.26Å; D558-R561 PolarHBondContact OD2-NH2 2.99Å; D558-R561 VanDerWaalsContact OD2-NH2 3.08Å; D558-S562 PolarHBondContact O-N 3.46Å; D558-S562 PolarHBondContact O-OG 3Å; D558-Y594 HydrophobicContact CB-CE1 4.49Å; D558-Y594 VanDerWaalsContact CB-OH 3.23Å; D558-Y594 WeakPolarHBondContact CB-OH 3.09Å; D558-Y594 WeakPolarHBondContact OD2-CE1 3.44Å; D558-Y594 PolarHBondContact OD2-OH 2.87Å; D558-N599 HydrophobicContact CB-CB 4.41Å; D558-N599 PolarHBondContact O-ND2 3.25Å
559L89Confident83.4Confident0 Ų050.1 Ų50.10%025%0.245CC..Hα-helixtrans-48.2-54.2179.6-72.6173.9000112.2I555 R561 S562 I575 L578 R579 L582I555-L559 HydrophobicContact CG2-CD1 4.29Å; I555-L559 HydrophobicContact CG2-CD2 4.08Å; I555-L559 HydrophobicContact CG2-CG 4.03Å; I555-L559 WeakPolarHBondContact O-CG 3.07Å; I555-L559 PolarHBondContact O-N 2.93Å; L559-R561 PolarHBondContact O-N 2.96Å; L559-S562 WeakPolarHBondContact O-CB 3.33Å; L559-S562 PolarHBondContact O-N 2.74Å; L559-S562 PolarHBondContact O-OG 3.3Å; L559-S562 VanDerWaalsContact O-OG 3.08Å; L559-I575 HydrophobicContact CB-CD1 4.36Å; L559-I575 HydrophobicContact CB-CG2 4.2Å; L559-I575 HydrophobicContact CD1-CG2 4.07Å; L559-L578 HydrophobicContact CD2-CB 3.94Å; L559-L578 HydrophobicContact CD2-CD2 3.65Å; L559-L578 HydrophobicContact CD2-CG 3.57Å; L559-R579 HydrophobicContact CD1-CB 3.81Å; L559-R579 HydrophobicContact CD1-CG 4.17Å; L559-R579 VanDerWaalsContact CD1-CZ 3.46Å; L559-R579 VanDerWaalsContact CD1-NH2 3.31Å; L559-R579 HydrophobicContact CD2-CB 4.14Å; L559-L582 HydrophobicContact CD2-CD1 4.32Å
560H84Confident83.5Confident132 Ų13253.1 Ų53.161%0.61126%0.257SS*.THydrogen-bonded Turntrans-72.3-10.2-174.5-5795.5000114.6D558D558-H560 PolarHBondContact O-N 3.33Å
561R84.1Confident83.5Confident115 Ų11551 Ų5143%0.43425%0.246SC..THydrogen-bonded Turntrans-10213.2171.360.1175.4-178.7151.11.7113.2D558 L559D558-R561 WeakPolarHBondContact O-CG 3.36Å; D558-R561 PolarHBondContact O-N 3.06Å; D558-R561 VanDerWaalsContact O-N 3.09Å; D558-R561 IonicContact OD1-CZ 2.7Å; D558-R561 VanDerWaalsContact OD1-CZ 3.26Å; D558-R561 IonicContact OD1-NE 2.77Å; D558-R561 PolarHBondContact OD1-NE 2.88Å; D558-R561 IonicContact OD1-NH2 2.95Å; D558-R561 PolarHBondContact OD1-NH2 3.29Å; D558-R561 IonicContact OD2-CZ 3.04Å; D558-R561 IonicContact OD2-NE 3.45Å; D558-R561 IonicContact OD2-NH2 3.26Å; D558-R561 PolarHBondContact OD2-NH2 2.99Å; D558-R561 VanDerWaalsContact OD2-NH2 3.08Å; L559-R561 PolarHBondContact O-N 2.96Å
562S82.1Confident83.5Confident1 Ų158.3 Ų58.31%0.00728%0.277CS..SBendtrans-97106.5-178.9-49.40000110.9D558 L559 N599 S603D558-S562 PolarHBondContact O-N 3.46Å; D558-S562 PolarHBondContact O-OG 3Å; L559-S562 WeakPolarHBondContact O-CB 3.33Å; L559-S562 PolarHBondContact O-N 2.74Å; L559-S562 PolarHBondContact O-OG 3.3Å; L559-S562 VanDerWaalsContact O-OG 3.08Å; S562-N599 WeakPolarHBondContact OG-CB 3.28Å; S562-N599 PolarHBondContact OG-ND2 3.14Å; S562-S603 WeakPolarHBondContact CB-OG 3.48Å
563L78.1Confident83.4Confident33 Ų3361.5 Ų61.517%0.17329%0.292CS..SBendtrans45.353.8-174.9-59.3176.7000113.3E565 H566 F569 V604 L607L563-E565 PolarHBondContact O-N 3.05Å; L563-H566 HydrophobicContact CB-CB 4.18Å; L563-H566 WeakPolarHBondContact O-CB 3.18Å; L563-H566 PolarHBondContact O-N 2.95Å; L563-F569 HydrophobicContact CB-CD2 4.04Å; L563-F569 HydrophobicContact CD1-CD2 4.45Å; L563-F569 HydrophobicContact CD1-CE2 4.18Å; L563-V604 HydrophobicContact CD1-CG2 3.78Å; L563-L607 HydrophobicContact CD1-CD1 4.25Å
564P70.4Confident83.4Confident68 Ų6857.9 Ų57.944%0.44228%0.275SS..THydrogen-bonded Turntrans-63.2-21.1-170.127.8-36.6000113.8H566 Q570P564-H566 VanDerWaalsContact C-N 3.31Å; P564-Q570 WeakPolarHBondContact O-CG 3.29Å; P564-Q570 PolarHBondContact O-NE2 2.97Å
565E71.6Confident83.5Confident68 Ų6855.9 Ų55.932%0.31827%0.266SS..THydrogen-bonded Turntrans-74.3-19.1175.7-61.7156.2-163.100112.6L563 I746 L749L563-E565 PolarHBondContact O-N 3.05Å; E565-I746 HydrophobicContact CB-CG2 3.45Å; E565-I746 VanDerWaalsContact CB-CG2 3.45Å; E565-I746 HydrophobicContact CG-CG2 4.35Å; E565-I746 WeakPolarHBondContact OE2-CG2 3.29Å; E565-L749 WeakPolarHBondContact OE1-CB 3.38Å; E565-L749 PolarHBondContact OE1-N 3.42Å
566H78.8Confident83.4Confident16 Ų1657.1 Ų57.17%0.07428%0.276CS..SBendtrans-90.2126.4-173.7-170.6-89.5000112.5M459 L563 P564 A568 F569 L607M459-H566 PolarHBondContact SD-NE2 3.1Å; M459-H566 VanDerWaalsContact SD-NE2 3.43Å; L563-H566 HydrophobicContact CB-CB 4.18Å; L563-H566 WeakPolarHBondContact O-CB 3.18Å; L563-H566 PolarHBondContact O-N 2.95Å; P564-H566 VanDerWaalsContact C-N 3.31Å; H566-A568 WeakPolarHBondContact ND1-CB 3.38Å; H566-A568 PolarHBondContact ND1-N 2.94Å; H566-A568 PolarHBondContact O-N 3.36Å; H566-F569 HydrophobicContact CB-CD2 4.39Å; H566-F569 PolarHBondContact O-N 3.48Å; H566-L607 WeakPolarHBondContact CE1-CD2 3.46Å
567P78.6Confident83.5Confident66 Ų6653.6 Ų53.643%0.42926%0.26SS..G310 helixtrans-55.3-29.2-172.6-29.835.9000116.3F569 Q570P567-F569 VanDerWaalsContact C-N 3.29Å; P567-F569 PolarHBondContact O-N 3.11Å; P567-Q570 PolarHBondContact O-N 2.95Å
568A80.4Confident83.8Confident0 Ų047.5 Ų47.50%024%0.237CC..G310 helixtrans-64.4-31.3178.900000113.6L458 Y462 H566 G574 L607L458-A568 HydrophobicContact CB-CB 4.02Å; L458-A568 HydrophobicContact CD1-CB 4.18Å; Y462-A568 HydrophobicContact CD2-CB 3.48Å; Y462-A568 VanDerWaalsContact CD2-CB 3.48Å; Y462-A568 HydrophobicContact CE2-CB 3.79Å; Y462-A568 HydrophobicContact CG-CB 4.27Å; H566-A568 WeakPolarHBondContact ND1-CB 3.38Å; H566-A568 PolarHBondContact ND1-N 2.94Å; H566-A568 PolarHBondContact O-N 3.36Å; A568-G574 WeakPolarHBondContact O-CA 3.35Å; A568-L607 HydrophobicContact CB-CD2 3.91Å
569F83.6Confident84Confident12 Ų1251 Ų515%0.05325%0.25CC..G310 helixtrans-98.40.3-178.9-58.5-67.5000112.9L458 L563 H566 P567 I575 L578 S603 L606 L607L458-F569 HydrophobicContact CD1-CE1 3.91Å; L458-F569 HydrophobicContact CD1-CZ 3.85Å; L563-F569 HydrophobicContact CB-CD2 4.04Å; L563-F569 HydrophobicContact CD1-CD2 4.45Å; L563-F569 HydrophobicContact CD1-CE2 4.18Å; H566-F569 HydrophobicContact CB-CD2 4.39Å; H566-F569 PolarHBondContact O-N 3.48Å; P567-F569 VanDerWaalsContact C-N 3.29Å; P567-F569 PolarHBondContact O-N 3.11Å; F569-I575 HydrophobicContact CB-CD1 4.17Å; F569-I575 HydrophobicContact CD1-CD1 4.4Å; F569-I575 WeakPolarHBondContact O-CD1 3.3Å; F569-I575 WeakPolarHBondContact O-CG1 3.31Å; F569-L578 HydrophobicContact CD1-CD2 4.34Å; F569-L578 HydrophobicContact CE1-CB 4.34Å; F569-L578 HydrophobicContact CE1-CD2 4.41Å; F569-S603 WeakPolarHBondContact CZ-O 3.36Å; F569-L606 HydrophobicContact CZ-CB 4.43Å; F569-L607 HydrophobicContact CE2-CD1 4.4Å; F569-L607 HydrophobicContact CE2-CD2 3.76Å; F569-L607 HydrophobicContact CE2-CG 4.02Å; F569-L607 HydrophobicContact CZ-CD2 4.21Å; F569-L607 HydrophobicContact CZ-CG 4.44Å
570Q80.8Confident84.2Confident136 Ų13652.8 Ų52.864%0.63626%0.257SS*.G310 helixtrans-85.65.7163.6-62.5173.2100112P564 P567P564-Q570 WeakPolarHBondContact O-CG 3.29Å; P564-Q570 PolarHBondContact O-NE2 2.97Å; P567-Q570 PolarHBondContact O-N 2.95Å
571N80.9Confident84.8Confident61 Ų6146.5 Ų46.533%0.32623%0.228SC..SBendtrans-123.5138.2-177.1-170.9-49.9000110.6Y462 M573 G574 I575Y462-N571 HydrophobicContact CE1-CB 4.35Å; Y462-N571 WeakPolarHBondContact OH-CB 3.48Å; Y462-N571 PolarHBondContact OH-ND2 3.18Å; Y462-N571 VanDerWaalsContact OH-ND2 3.1Å; N571-M573 PolarHBondContact O-N 3.12Å; N571-M573 VanDerWaalsContact O-N 3.15Å; N571-M573 WeakPolarHBondContact OD1-CB 3.46Å; N571-M573 PolarHBondContact OD1-N 3.15Å; N571-G574 PolarHBondContact O-N 2.81Å; N571-I575 PolarHBondContact O-N 2.84Å
572E84.2Confident85.4Confident172 Ų17241 Ų4180%0.80421%0.207SC*.Hα-helixtrans-54.2-32.8177.8-63.5-174.416500113A576E572-A576 WeakPolarHBondContact O-CB 3.27Å; E572-A576 PolarHBondContact O-N 2.87Å
573M85.2Confident86Confident80 Ų8041.9 Ų41.939%0.39421%0.212SC..Hα-helixtrans-59.3-51.5176.3-73.7-84.3-73.500112.7F444 N571 A576 A577F444-M573 HydrophobicContact CE1-CE 4.27Å; F444-M573 HydrophobicContact CZ-CE 4.11Å; F444-M573 HydrophobicContact CZ-SD 4.46Å; N571-M573 PolarHBondContact O-N 3.12Å; N571-M573 VanDerWaalsContact O-N 3.15Å; N571-M573 WeakPolarHBondContact OD1-CB 3.46Å; N571-M573 PolarHBondContact OD1-N 3.15Å; M573-A576 PolarHBondContact O-N 3.49Å; M573-A577 PolarHBondContact O-N 3.2Å
574G87.1Confident86.8Confident0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-70.6-37.5-17900000112.2A568 N571 A577 L578A568-G574 WeakPolarHBondContact O-CA 3.35Å; N571-G574 PolarHBondContact O-N 2.81Å; G574-A577 PolarHBondContact O-N 2.53Å; G574-L578 WeakPolarHBondContact O-CB 3.28Å; G574-L578 PolarHBondContact O-N 2.77Å
575I90.6Very high88Confident11 Ų1137 Ų376%0.05618%0.183CC..Hα-helixtrans-65.7-36.7173.4-67-65.9000111.5L559 F569 N571 R579L559-I575 HydrophobicContact CB-CD1 4.36Å; L559-I575 HydrophobicContact CB-CG2 4.2Å; L559-I575 HydrophobicContact CD1-CG2 4.07Å; F569-I575 HydrophobicContact CB-CD1 4.17Å; F569-I575 HydrophobicContact CD1-CD1 4.4Å; F569-I575 WeakPolarHBondContact O-CD1 3.3Å; F569-I575 WeakPolarHBondContact O-CG1 3.31Å; N571-I575 PolarHBondContact O-N 2.84Å; I575-R579 VanDerWaalsContact O-CB 3.28Å; I575-R579 WeakPolarHBondContact O-CB 3.48Å; I575-R579 PolarHBondContact O-N 2.7Å
576A91.2Very high88.9Confident26 Ų2634.1 Ų34.122%0.21517%0.17CC..Hα-helixtrans-69.4-41.317500000112.7E572 M573 R579 R580E572-A576 WeakPolarHBondContact O-CB 3.27Å; E572-A576 PolarHBondContact O-N 2.87Å; M573-A576 PolarHBondContact O-N 3.49Å; A576-R579 PolarHBondContact O-N 3.43Å; A576-R580 WeakPolarHBondContact O-CG 3.09Å; A576-R580 PolarHBondContact O-N 3.04Å
577A93.1Very high89.5Confident0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-62.5-45.6173.400000111.5A454 M573 G574 R579 R580 V581 L606 E611A454-A577 HydrophobicContact CB-CB 4.49Å; M573-A577 PolarHBondContact O-N 3.2Å; G574-A577 PolarHBondContact O-N 2.53Å; A577-R579 PolarHBondContact O-N 3.36Å; A577-R580 PolarHBondContact O-N 3.47Å; A577-V581 WeakPolarHBondContact O-CG2 3.16Å; A577-V581 PolarHBondContact O-N 2.75Å; A577-L606 HydrophobicContact CB-CD1 4.27Å; A577-L606 HydrophobicContact CB-CD2 4.26Å; A577-E611 HydrophobicContact CB-CG 4.27Å
578L94.7Very high90.1Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-59.8-44.8175.9-176.963.3000111.9L559 F569 G574 L582 T602 S603 L606L559-L578 HydrophobicContact CD2-CB 3.94Å; L559-L578 HydrophobicContact CD2-CD2 3.65Å; L559-L578 HydrophobicContact CD2-CG 3.57Å; F569-L578 HydrophobicContact CD1-CD2 4.34Å; F569-L578 HydrophobicContact CE1-CB 4.34Å; F569-L578 HydrophobicContact CE1-CD2 4.41Å; G574-L578 WeakPolarHBondContact O-CB 3.28Å; G574-L578 PolarHBondContact O-N 2.77Å; L578-L582 HydrophobicContact CD1-CD1 3.89Å; L578-L582 HydrophobicContact CD1-CG 4.21Å; L578-L582 HydrophobicContact CG-CD1 3.92Å; L578-L582 WeakPolarHBondContact O-CB 3.24Å; L578-L582 VanDerWaalsContact O-CG 3.28Å; L578-L582 WeakPolarHBondContact O-CG 3.49Å; L578-L582 PolarHBondContact O-N 3.38Å; L578-L582 VanDerWaalsContact O-N 3.08Å; L578-T602 HydrophobicContact CD1-CG2 3.72Å; L578-S603 WeakPolarHBondContact CD2-OG 3.43Å; L578-L606 HydrophobicContact CB-CD1 3.99Å; L578-L606 HydrophobicContact CD1-CD1 4.1Å
579R94.5Very high90.5Very high74 Ų7438.3 Ų38.328%0.27918%0.181SC..Hα-helixtrans-56.4-51173.9180-175.4-73.7109.1-2.1111.7E556 L559 I575 A576 A577 T583E556-R579 VanDerWaalsContact OE1-CD 3.32Å; E556-R579 WeakPolarHBondContact OE1-CD 3.23Å; E556-R579 IonicContact OE1-CZ 2.93Å; E556-R579 IonicContact OE1-NE 3.8Å; E556-R579 PolarHBondContact OE1-NE 2.85Å; E556-R579 IonicContact OE1-NH2 2.87Å; E556-R579 IonicContact OE2-CZ 2.69Å; E556-R579 IonicContact OE2-NE 3.89Å; E556-R579 PolarHBondContact OE2-NE 3.22Å; E556-R579 IonicContact OE2-NH2 3.81Å; E556-R579 PolarHBondContact OE2-NH2 3.26Å; L559-R579 HydrophobicContact CD1-CB 3.81Å; L559-R579 HydrophobicContact CD1-CG 4.17Å; L559-R579 VanDerWaalsContact CD1-CZ 3.46Å; L559-R579 VanDerWaalsContact CD1-NH2 3.31Å; L559-R579 HydrophobicContact CD2-CB 4.14Å; I575-R579 VanDerWaalsContact O-CB 3.28Å; I575-R579 WeakPolarHBondContact O-CB 3.48Å; I575-R579 PolarHBondContact O-N 2.7Å; A576-R579 PolarHBondContact O-N 3.43Å; A577-R579 PolarHBondContact O-N 3.36Å; R579-T583 WeakPolarHBondContact O-CB 3.36Å; R579-T583 PolarHBondContact O-N 2.93Å; R579-T583 PolarHBondContact O-OG1 3.45Å
580R95.1Very high90.5Very high37 Ų3742.5 Ų42.514%0.1421%0.209CC..Hα-helixtrans-62.5-47.9-178.1-75-173.2-61.1-119.50.4111.9P452 Y537 V541 A576 A577 L582 T583 A584 E611P452-R580 VanDerWaalsContact O-CZ 3.25Å; P452-R580 PolarHBondContact O-NH1 3.44Å; P452-R580 PolarHBondContact O-NH2 2.8Å; P452-R580 VanDerWaalsContact O-NH2 3.11Å; Y537-R580 WeakPolarHBondContact OH-CB 3.29Å; V541-R580 HydrophobicContact CG1-CG 4.28Å; V541-R580 HydrophobicContact CG2-CB 4.34Å; A576-R580 WeakPolarHBondContact O-CG 3.09Å; A576-R580 PolarHBondContact O-N 3.04Å; A577-R580 PolarHBondContact O-N 3.47Å; R580-L582 PolarHBondContact O-N 2.69Å; R580-T583 PolarHBondContact O-N 2.73Å; R580-A584 WeakPolarHBondContact O-CB 3.21Å; R580-A584 PolarHBondContact O-N 2.67Å; R580-E611 WeakPolarHBondContact CB-OE1 2.95Å; R580-E611 IonicContact CZ-OE1 2.8Å; R580-E611 IonicContact CZ-OE2 3.26Å; R580-E611 IonicContact NE-OE1 2.64Å; R580-E611 PolarHBondContact NE-OE1 3.48Å; R580-E611 IonicContact NE-OE2 2.69Å; R580-E611 PolarHBondContact NE-OE2 2.78Å; R580-E611 IonicContact NH2-OE1 2.64Å; R580-E611 IonicContact NH2-OE2 2.69Å; R580-E611 PolarHBondContact NH2-OE2 3.23Å
581V96.6Very high90.4Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-61.5-47.7179.4174.20000111.9Y537 A577 Y585 T602 L606 E611 F615 L618Y537-V581 HydrophobicContact CE2-CG2 4.38Å; Y537-V581 WeakPolarHBondContact OH-CG2 3.12Å; Y537-V581 PolarHBondContact OH-N 3.13Å; A577-V581 WeakPolarHBondContact O-CG2 3.16Å; A577-V581 PolarHBondContact O-N 2.75Å; V581-Y585 WeakPolarHBondContact O-CB 3.39Å; V581-Y585 PolarHBondContact O-N 3.33Å; V581-T602 HydrophobicContact CB-CG2 4.03Å; V581-T602 HydrophobicContact CG1-CG2 3.51Å; V581-L606 HydrophobicContact CG2-CD1 4.5Å; V581-L606 HydrophobicContact CG2-CD2 4.19Å; V581-E611 HydrophobicContact CG2-CG 3.65Å; V581-F615 HydrophobicContact CG1-CB 3.98Å; V581-F615 HydrophobicContact CG2-CB 4.4Å; V581-L618 HydrophobicContact CG1-CD2 4.05Å
582L95.7Very high90.6Very high1 Ų138.9 Ų38.91%0.00519%0.194CC..Hα-helixtrans-64.7-42.6179.3-68.1172.2000112I555 L559 L578 R580 Y585 A586 Y594 M598 N599 T602 L618I555-L582 HydrophobicContact CD1-CB 3.72Å; I555-L582 HydrophobicContact CG1-CB 3.99Å; I555-L582 HydrophobicContact CG1-CD1 4.39Å; I555-L582 HydrophobicContact CG2-CB 4.22Å; I555-L582 HydrophobicContact CG2-CD1 4.11Å; L559-L582 HydrophobicContact CD2-CD1 4.32Å; L578-L582 HydrophobicContact CD1-CD1 3.89Å; L578-L582 HydrophobicContact CD1-CG 4.21Å; L578-L582 HydrophobicContact CG-CD1 3.92Å; L578-L582 WeakPolarHBondContact O-CB 3.24Å; L578-L582 VanDerWaalsContact O-CG 3.28Å; L578-L582 WeakPolarHBondContact O-CG 3.49Å; L578-L582 PolarHBondContact O-N 3.38Å; L578-L582 VanDerWaalsContact O-N 3.08Å; R580-L582 PolarHBondContact O-N 2.69Å; L582-Y585 PolarHBondContact O-N 3.36Å; L582-A586 WeakPolarHBondContact O-CB 3.33Å; L582-A586 PolarHBondContact O-N 3.5Å; L582-Y594 HydrophobicContact CD1-CE2 4.16Å; L582-Y594 HydrophobicContact CD2-CD2 4.26Å; L582-Y594 HydrophobicContact CD2-CE2 4.12Å; L582-M598 HydrophobicContact CD2-CB 4.12Å; L582-N599 HydrophobicContact CD1-CB 4.08Å; L582-T602 HydrophobicContact CD2-CG2 4.21Å; L582-T602 WeakPolarHBondContact CD2-OG1 3.22Å; L582-T602 HydrophobicContact CG-CG2 4.38Å; L582-L618 HydrophobicContact CD2-CD2 4.32Å
583T94.3Very high90.8Very high18 Ų1831.2 Ų31.211%0.1116%0.161CC..Hα-helixtrans-70.4-41.6-178.5-59.60000111.9T552 R579 R580 Y585 A586 F587T552-T583 HydrophobicContact CG2-CG2 3.94Å; R579-T583 WeakPolarHBondContact O-CB 3.36Å; R579-T583 PolarHBondContact O-N 2.93Å; R579-T583 PolarHBondContact O-OG1 3.45Å; R580-T583 PolarHBondContact O-N 2.73Å; T583-Y585 VanDerWaalsContact C-N 3.33Å; T583-Y585 PolarHBondContact O-N 3.11Å; T583-A586 PolarHBondContact O-N 3.29Å; T583-F587 WeakPolarHBondContact O-CB 3.19Å; T583-F587 PolarHBondContact O-N 3.12Å
584A95.3Very high91.1Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-63.9-38.2174.600000111.6Y537 L540 V541 R580 R588 F615Y537-A584 HydrophobicContact CD2-CB 4.33Å; Y537-A584 HydrophobicContact CE2-CB 3.83Å; L540-A584 HydrophobicContact CB-CB 4.19Å; V541-A584 HydrophobicContact CG2-CB 4.19Å; R580-A584 WeakPolarHBondContact O-CB 3.21Å; R580-A584 PolarHBondContact O-N 2.67Å; A584-R588 WeakPolarHBondContact O-CB 3.12Å; A584-R588 PolarHBondContact O-N 2.86Å; A584-F615 HydrophobicContact CB-CD2 4.36Å; A584-F615 HydrophobicContact CB-CE2 4.23Å
585Y95.1Very high91.2Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-66.9-47.9174.1-179.5-87.2000112.3V581 L582 T583 F587 R588 N589 I592 M598 L618 V619 C622 E623V581-Y585 WeakPolarHBondContact O-CB 3.39Å; V581-Y585 PolarHBondContact O-N 3.33Å; L582-Y585 PolarHBondContact O-N 3.36Å; T583-Y585 VanDerWaalsContact C-N 3.33Å; T583-Y585 PolarHBondContact O-N 3.11Å; Y585-F587 PolarHBondContact O-N 3.23Å; Y585-R588 WeakPolarHBondContact O-CB 3.37Å; Y585-R588 PolarHBondContact O-N 3.11Å; Y585-R588 VanDerWaalsContact O-N 3.1Å; Y585-N589 PolarHBondContact O-N 3.46Å; Y585-I592 HydrophobicContact CE1-CB 4.32Å; Y585-I592 HydrophobicContact CE1-CG2 3.9Å; Y585-I592 WeakPolarHBondContact OH-CD1 3.25Å; Y585-M598 HydrophobicContact CD1-CE 3.42Å; Y585-M598 VanDerWaalsContact CD1-CE 3.42Å; Y585-M598 HydrophobicContact CE1-CE 3.57Å; Y585-M598 HydrophobicContact CG-CE 4.3Å; Y585-L618 HydrophobicContact CD1-CD2 4.45Å; Y585-L618 HydrophobicContact CD2-CD2 4.2Å; Y585-L618 HydrophobicContact CD2-CG 4.16Å; Y585-L618 HydrophobicContact CG-CD2 3.87Å; Y585-L618 HydrophobicContact CG-CG 4.26Å; Y585-V619 HydrophobicContact CD2-CG2 3.77Å; Y585-V619 HydrophobicContact CE2-CG2 3.96Å; Y585-C622 HydrophobicContact CE2-CB 4.34Å; Y585-C622 VanDerWaalsContact OH-CB 3.24Å; Y585-C622 WeakPolarHBondContact OH-CB 3.26Å; Y585-E623 HydrophobicContact CE2-CG 4.48Å
586A91.9Very high90.9Very high7 Ų733.2 Ų33.26%0.05817%0.17CC..Hα-helixtrans-61-35.5178.200000111.9A551 L582 T583 G593A551-A586 HydrophobicContact CB-CB 4.13Å; L582-A586 WeakPolarHBondContact O-CB 3.33Å; L582-A586 PolarHBondContact O-N 3.5Å; T583-A586 PolarHBondContact O-N 3.29Å; A586-G593 WeakPolarHBondContact CA-O 3.47Å; A586-G593 WeakPolarHBondContact CB-O 3.45Å
587F91.2Very high90.9Very high74 Ų7432.3 Ų32.333%0.32516%0.163SC..Hα-helixtrans-72.6-36.6173.1-173.1-108.7000113.1L540 K543 K547 T583 Y585L540-F587 HydrophobicContact CD2-CD1 3.88Å; L540-F587 HydrophobicContact CD2-CE1 4.35Å; K543-F587 HydrophobicContact CB-CD1 4.46Å; K543-F587 HydrophobicContact CB-CE1 3.81Å; K543-F587 HydrophobicContact CB-CZ 4.49Å; K547-F587 HydrophobicContact CD-CD2 4.34Å; K547-F587 HydrophobicContact CD-CE2 4.04Å; K547-F587 VanDerWaalsContact NZ-CE2 3.31Å; K547-F587 VanDerWaalsContact NZ-CZ 3.25Å; T583-F587 WeakPolarHBondContact O-CB 3.19Å; T583-F587 PolarHBondContact O-N 3.12Å; Y585-F587 PolarHBondContact O-N 3.23Å
588R90.7Very high90.9Very high73 Ų7332.3 Ų32.328%0.27516%0.163SC..Hα-helixtrans-60.8-44.2174.6167.5-178.6160.977.54.6112.3Y536 L540 A584 Y585 E623Y536-R588 PolarHBondContact OH-NH1 3.46Å; L540-R588 HydrophobicContact CD1-CB 3.94Å; L540-R588 HydrophobicContact CD1-CG 4.47Å; L540-R588 HydrophobicContact CD2-CB 4.28Å; A584-R588 WeakPolarHBondContact O-CB 3.12Å; A584-R588 PolarHBondContact O-N 2.86Å; Y585-R588 WeakPolarHBondContact O-CB 3.37Å; Y585-R588 PolarHBondContact O-N 3.11Å; Y585-R588 VanDerWaalsContact O-N 3.1Å; R588-E623 IonicContact CZ-OE1 2.75Å; R588-E623 VanDerWaalsContact CZ-OE1 3.31Å; R588-E623 IonicContact NE-OE1 2.59Å; R588-E623 PolarHBondContact NE-OE1 2.85Å; R588-E623 IonicContact NH2-OE1 2.65Å; R588-E623 PolarHBondContact NH2-OE1 3.22Å; R588-E623 IonicContact NH2-OE2 3.23Å
589N88.1Confident90.9Very high22 Ų2232.6 Ų32.612%0.11816%0.164CC..  trans-134.180.2-174.2-166.2-11.4000112.7Y585 N591 I592 G593Y585-N589 PolarHBondContact O-N 3.46Å; N589-N591 PolarHBondContact O-N 2.93Å; N589-N591 VanDerWaalsContact O-N 3.08Å; N589-N591 WeakPolarHBondContact OD1-CB 3.47Å; N589-N591 PolarHBondContact OD1-N 3.34Å; N589-N591 PolarHBondContact OD1-ND2 3Å; N589-I592 PolarHBondContact O-N 3.07Å; N589-G593 PolarHBondContact O-N 3.44Å
590P83.9Confident90.8Very high100 Ų10030.6 Ų30.665%0.64916%0.159SC*.THydrogen-bonded Turntrans-59.8-20.4-178.8-26.736.5000115.3I592P590-I592 PolarHBondContact O-N 3.21Å
591N78.3Confident90.7Very high98 Ų9829 Ų2952%0.52415%0.154SC..THydrogen-bonded Turntrans-65.6-24.7174.2-48.9-102.2000112.8K257 N589K257-N591 WeakPolarHBondContact CE-OD1 3.48Å; K257-N591 PolarHBondContact NZ-OD1 2.81Å; N589-N591 PolarHBondContact O-N 2.93Å; N589-N591 VanDerWaalsContact O-N 3.08Å; N589-N591 WeakPolarHBondContact OD1-CB 3.47Å; N589-N591 PolarHBondContact OD1-N 3.34Å; N589-N591 PolarHBondContact OD1-ND2 3Å
592I85.8Confident90.7Very high23 Ų2329 Ų2912%0.11815%0.154CC..THydrogen-bonded Turntrans-104.9-44.1177.4-60.5-178.1000108.7Y585 N589 P590 Y594 E623 Y630Y585-I592 HydrophobicContact CE1-CB 4.32Å; Y585-I592 HydrophobicContact CE1-CG2 3.9Å; Y585-I592 WeakPolarHBondContact OH-CD1 3.25Å; N589-I592 PolarHBondContact O-N 3.07Å; P590-I592 PolarHBondContact O-N 3.21Å; I592-Y594 PolarHBondContact O-N 2.93Å; I592-E623 HydrophobicContact CD1-CG 4.45Å; I592-Y630 WeakPolarHBondContact CG2-O 3.35Å
593G88.1Confident90.6Very high11 Ų1129 Ų2911%0.11315%0.153CC..  trans64.2-122.7176.400000111.7A586 N589A586-G593 WeakPolarHBondContact CA-O 3.47Å; A586-G593 WeakPolarHBondContact CB-O 3.45Å; N589-G593 PolarHBondContact O-N 3.44Å
594Y90.8Very high90.6Very high10 Ų1028.2 Ų28.24%0.03915%0.149CC..  trans-122.9143.8170.2173.7-101.1000109.5E554 I555 D558 L582 I592 M598 N599E554-Y594 HydrophobicContact CB-CD1 3.67Å; E554-Y594 HydrophobicContact CB-CE1 3.94Å; I555-Y594 HydrophobicContact CD1-CD2 4.15Å; I555-Y594 HydrophobicContact CD1-CG 4.23Å; I555-Y594 HydrophobicContact CG1-CD1 4.14Å; I555-Y594 HydrophobicContact CG1-CD2 3.52Å; I555-Y594 HydrophobicContact CG1-CE2 3.95Å; I555-Y594 HydrophobicContact CG1-CG 3.63Å; D558-Y594 HydrophobicContact CB-CE1 4.49Å; D558-Y594 VanDerWaalsContact CB-OH 3.23Å; D558-Y594 WeakPolarHBondContact CB-OH 3.09Å; D558-Y594 WeakPolarHBondContact OD2-CE1 3.44Å; D558-Y594 PolarHBondContact OD2-OH 2.87Å; L582-Y594 HydrophobicContact CD1-CE2 4.16Å; L582-Y594 HydrophobicContact CD2-CD2 4.26Å; L582-Y594 HydrophobicContact CD2-CE2 4.12Å; I592-Y594 PolarHBondContact O-N 2.93Å; Y594-M598 HydrophobicContact CD2-CB 4.25Å; Y594-M598 HydrophobicContact CD2-SD 4.4Å; Y594-M598 HydrophobicContact CE2-CB 3.98Å; Y594-N599 HydrophobicContact CE2-CB 4.28Å; Y594-N599 WeakPolarHBondContact OH-CB 3.32Å; Y594-N599 VanDerWaalsContact OH-CG 3.31Å; Y594-N599 PolarHBondContact OH-OD1 2.9Å
595C90.1Very high90.6Very high14 Ų1428.3 Ų28.310%0.09515%0.149CC..  trans-132.6135.2173.4175.20000108.7A597 M598 Y630C595-A597 PolarHBondContact O-N 3.23Å; C595-M598 HydrophobicContact CB-CG 4.24Å; C595-M598 HydrophobicContact CB-SD 3.87Å; C595-M598 PolarHBondContact N-SD 2.84Å; C595-M598 VanDerWaalsContact O-CB 3.24Å; C595-M598 WeakPolarHBondContact O-CB 3.36Å; C595-M598 VanDerWaalsContact O-CG 3.27Å; C595-M598 WeakPolarHBondContact O-CG 3.45Å; C595-M598 PolarHBondContact O-N 3.24Å; C595-Y630 HydrophobicContact CB-CD1 4.4Å; C595-Y630 WeakPolarHBondContact CB-O 3.18Å
596Q85.4Confident90.6Very high109 Ų10928.4 Ų28.451%0.50915%0.15SC..THydrogen-bonded Turntrans-52140.8172.9-169.1-178.2-8200110.1
597A89.9Confident90.5Very high8 Ų828.1 Ų28.17%0.06615%0.147CC..THydrogen-bonded Turntrans87-23.7-166.200000116.1C595 N599 I600 V601 L674 T675C595-A597 PolarHBondContact O-N 3.23Å; A597-N599 VanDerWaalsContact CA-OD1 3.31Å; A597-N599 WeakPolarHBondContact CA-OD1 3.43Å; A597-N599 PolarHBondContact N-OD1 3.1Å; A597-N599 VanDerWaalsContact N-OD1 3.1Å; A597-N599 PolarHBondContact O-N 2.87Å; A597-I600 PolarHBondContact O-N 3.34Å; A597-I600 VanDerWaalsContact O-N 3.09Å; A597-V601 PolarHBondContact O-N 3.19Å; A597-L674 HydrophobicContact CB-CB 4.12Å; A597-T675 HydrophobicContact CB-CG2 3.82Å
598M93.9Very high90.6Very high0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-58.9-34.6171.6-71.7174.762.200111.7L582 Y585 Y594 C595 T602 L618 Y630L582-M598 HydrophobicContact CD2-CB 4.12Å; Y585-M598 HydrophobicContact CD1-CE 3.42Å; Y585-M598 VanDerWaalsContact CD1-CE 3.42Å; Y585-M598 HydrophobicContact CE1-CE 3.57Å; Y585-M598 HydrophobicContact CG-CE 4.3Å; Y594-M598 HydrophobicContact CD2-CB 4.25Å; Y594-M598 HydrophobicContact CD2-SD 4.4Å; Y594-M598 HydrophobicContact CE2-CB 3.98Å; C595-M598 HydrophobicContact CB-CG 4.24Å; C595-M598 HydrophobicContact CB-SD 3.87Å; C595-M598 PolarHBondContact N-SD 2.84Å; C595-M598 VanDerWaalsContact O-CB 3.24Å; C595-M598 WeakPolarHBondContact O-CB 3.36Å; C595-M598 VanDerWaalsContact O-CG 3.27Å; C595-M598 WeakPolarHBondContact O-CG 3.45Å; C595-M598 PolarHBondContact O-N 3.24Å; M598-T602 WeakPolarHBondContact O-CB 3.49Å; M598-T602 PolarHBondContact O-N 2.83Å; M598-T602 PolarHBondContact O-OG1 2.89Å; M598-L618 HydrophobicContact CE-CD1 4.24Å; M598-L618 HydrophobicContact CE-CD2 4.22Å; M598-Y630 HydrophobicContact CG-CD1 3.48Å; M598-Y630 VanDerWaalsContact CG-CD1 3.48Å; M598-Y630 HydrophobicContact CG-CE1 4.13Å; M598-Y630 HydrophobicContact CG-CG 3.94Å; M598-Y630 HydrophobicContact SD-CD1 4.41Å; M598-Y630 HydrophobicContact SD-CG 4.4Å
599N93.7Very high90.8Very high5 Ų522 Ų223%0.02712%0.122CC..Hα-helixtrans-59.7-42.4174.565.5-47.3000113D558 S562 L582 Y594 A597 S603D558-N599 HydrophobicContact CB-CB 4.41Å; D558-N599 PolarHBondContact O-ND2 3.25Å; S562-N599 WeakPolarHBondContact OG-CB 3.28Å; S562-N599 PolarHBondContact OG-ND2 3.14Å; L582-N599 HydrophobicContact CD1-CB 4.08Å; Y594-N599 HydrophobicContact CE2-CB 4.28Å; Y594-N599 WeakPolarHBondContact OH-CB 3.32Å; Y594-N599 VanDerWaalsContact OH-CG 3.31Å; Y594-N599 PolarHBondContact OH-OD1 2.9Å; A597-N599 VanDerWaalsContact CA-OD1 3.31Å; A597-N599 WeakPolarHBondContact CA-OD1 3.43Å; A597-N599 PolarHBondContact N-OD1 3.1Å; A597-N599 VanDerWaalsContact N-OD1 3.1Å; A597-N599 PolarHBondContact O-N 2.87Å; N599-S603 WeakPolarHBondContact O-CB 3.45Å; N599-S603 PolarHBondContact O-N 3.04Å; N599-S603 PolarHBondContact O-OG 2.88Å
600I92.3Very high91Very high33 Ų3325.4 Ų25.417%0.16914%0.136CC..Hα-helixtrans-66.1-49.7179.1-59.3176.7000109.8A597 S603 V604 T675 L678A597-I600 PolarHBondContact O-N 3.34Å; A597-I600 VanDerWaalsContact O-N 3.09Å; I600-S603 WeakPolarHBondContact O-CB 3.46Å; I600-S603 PolarHBondContact O-N 3.36Å; I600-V604 PolarHBondContact O-N 2.99Å; I600-T675 HydrophobicContact CD1-CG2 4.14Å; I600-L678 HydrophobicContact CG2-CB 3.88Å
601V94.3Very high91.6Very high4 Ų420.7 Ų20.72%0.02411%0.105CC..Hα-helixtrans-61.1-50.7178.9179.30000110.7A597 S603 V604 L605 L621 L678A597-V601 PolarHBondContact O-N 3.19Å; V601-S603 VanDerWaalsContact C-N 3.27Å; V601-S603 PolarHBondContact O-N 3.1Å; V601-V604 PolarHBondContact O-N 3.39Å; V601-L605 HydrophobicContact CG1-CD1 4.4Å; V601-L605 WeakPolarHBondContact O-CG 3.32Å; V601-L605 PolarHBondContact O-N 3.38Å; V601-L605 VanDerWaalsContact O-N 3.08Å; V601-L621 HydrophobicContact CG1-CD1 3.64Å; V601-L621 HydrophobicContact CG1-CD2 4.27Å; V601-L678 HydrophobicContact CG2-CD1 4.22Å
602T96.1Very high92.4Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-61.3-35-178.7-53.20000112.4L578 V581 L582 M598 V604 L605 L606 L618L578-T602 HydrophobicContact CD1-CG2 3.72Å; V581-T602 HydrophobicContact CB-CG2 4.03Å; V581-T602 HydrophobicContact CG1-CG2 3.51Å; L582-T602 HydrophobicContact CD2-CG2 4.21Å; L582-T602 WeakPolarHBondContact CD2-OG1 3.22Å; L582-T602 HydrophobicContact CG-CG2 4.38Å; M598-T602 WeakPolarHBondContact O-CB 3.49Å; M598-T602 PolarHBondContact O-N 2.83Å; M598-T602 PolarHBondContact O-OG1 2.89Å; T602-V604 VanDerWaalsContact C-N 3.34Å; T602-V604 PolarHBondContact O-N 3.05Å; T602-L605 PolarHBondContact O-N 2.78Å; T602-L606 HydrophobicContact CG2-CD1 4.27Å; T602-L606 PolarHBondContact O-N 3.4Å; T602-L618 HydrophobicContact CG2-CD2 4.37Å; T602-L618 WeakPolarHBondContact OG1-CD1 3.28Å
603S93.3Very high92.9Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-59.6-44.8173.8-60.70000111.3S562 F569 L578 N599 I600 V601 L605 L606 L607S562-S603 WeakPolarHBondContact CB-OG 3.48Å; F569-S603 WeakPolarHBondContact CZ-O 3.36Å; L578-S603 WeakPolarHBondContact CD2-OG 3.43Å; N599-S603 WeakPolarHBondContact O-CB 3.45Å; N599-S603 PolarHBondContact O-N 3.04Å; N599-S603 PolarHBondContact O-OG 2.88Å; I600-S603 WeakPolarHBondContact O-CB 3.46Å; I600-S603 PolarHBondContact O-N 3.36Å; V601-S603 VanDerWaalsContact C-N 3.27Å; V601-S603 PolarHBondContact O-N 3.1Å; S603-L605 PolarHBondContact O-N 2.79Å; S603-L606 PolarHBondContact O-N 3.23Å; S603-L607 WeakPolarHBondContact O-CG 3.28Å; S603-L607 PolarHBondContact O-N 2.99Å
604V93.4Very high93.4Very high2 Ų218.9 Ų18.91%0.0129%0.09CC..Hα-helixtrans-66.6-35.4176.2179.70000112.3W520 L563 I600 V601 T602 L607 Y608 L678 F683 V687W520-V604 HydrophobicContact CH2-CG1 4.08Å; W520-V604 HydrophobicContact CZ3-CG1 4.45Å; L563-V604 HydrophobicContact CD1-CG2 3.78Å; I600-V604 PolarHBondContact O-N 2.99Å; V601-V604 PolarHBondContact O-N 3.39Å; T602-V604 VanDerWaalsContact C-N 3.34Å; T602-V604 PolarHBondContact O-N 3.05Å; V604-L607 PolarHBondContact O-N 3.42Å; V604-Y608 HydrophobicContact CG1-CD2 4.37Å; V604-Y608 HydrophobicContact CG1-CE2 4.33Å; V604-Y608 WeakPolarHBondContact O-CD2 3.47Å; V604-L678 HydrophobicContact CB-CD1 4.09Å; V604-L678 HydrophobicContact CG1-CD2 4.31Å; V604-L678 HydrophobicContact CG2-CD1 3.7Å; V604-L678 HydrophobicContact CG2-CD2 3.86Å; V604-L678 HydrophobicContact CG2-CG 4.31Å; V604-F683 HydrophobicContact CG1-CE2 4.19Å; V604-F683 HydrophobicContact CG2-CD2 4.42Å; V604-F683 HydrophobicContact CG2-CE2 3.99Å; V604-V687 HydrophobicContact CG1-CG2 4.12Å
605L95.9Very high93.7Very high2 Ų218.4 Ų18.41%0.019%0.088CC..Hα-helixtrans-62.3-45.4174.8-58.1177.9000111.3W520 V601 T602 S603 L607 Y608 A609 A614 L617 L618 F694W520-L605 HydrophobicContact CE3-CD2 4.04Å; W520-L605 HydrophobicContact CZ3-CD2 4.04Å; V601-L605 HydrophobicContact CG1-CD1 4.4Å; V601-L605 WeakPolarHBondContact O-CG 3.32Å; V601-L605 PolarHBondContact O-N 3.38Å; V601-L605 VanDerWaalsContact O-N 3.08Å; T602-L605 PolarHBondContact O-N 2.78Å; S603-L605 PolarHBondContact O-N 2.79Å; L605-L607 PolarHBondContact O-N 2.79Å; L605-Y608 PolarHBondContact O-N 3.44Å; L605-Y608 VanDerWaalsContact O-N 3.17Å; L605-A609 WeakPolarHBondContact O-CB 3.12Å; L605-A609 PolarHBondContact O-N 3.49Å; L605-A614 HydrophobicContact CB-CB 3.84Å; L605-L617 HydrophobicContact CD1-CB 3.82Å; L605-L617 HydrophobicContact CD2-CB 4.1Å; L605-L617 HydrophobicContact CD2-CD1 4.17Å; L605-L617 HydrophobicContact CG-CB 4.43Å; L605-L618 HydrophobicContact CD1-CB 4.2Å; L605-F694 HydrophobicContact CD2-CE2 3.9Å; L605-F694 HydrophobicContact CD2-CZ 3.78Å
606L94.6Very high94Very high2 Ų217.8 Ų17.81%0.018%0.084CC..Hα-helixtrans-66.5-18.3177.6-76.4168000114.4L458 F569 A577 L578 V581 T602 S603 E611 A614L458-L606 WeakPolarHBondContact CB-O 3.5Å; L458-L606 HydrophobicContact CD1-CB 3.92Å; L458-L606 WeakPolarHBondContact CG-O 3.29Å; L458-L606 PolarHBondContact N-O 3.3Å; F569-L606 HydrophobicContact CZ-CB 4.43Å; A577-L606 HydrophobicContact CB-CD1 4.27Å; A577-L606 HydrophobicContact CB-CD2 4.26Å; L578-L606 HydrophobicContact CB-CD1 3.99Å; L578-L606 HydrophobicContact CD1-CD1 4.1Å; V581-L606 HydrophobicContact CG2-CD1 4.5Å; V581-L606 HydrophobicContact CG2-CD2 4.19Å; T602-L606 HydrophobicContact CG2-CD1 4.27Å; T602-L606 PolarHBondContact O-N 3.4Å; S603-L606 PolarHBondContact O-N 3.23Å; L606-E611 HydrophobicContact CD2-CB 4.39Å; L606-E611 HydrophobicContact CD2-CG 4.19Å; L606-A614 HydrophobicContact CD2-CB 3.71Å; L606-A614 HydrophobicContact CG-CB 3.86Å
607L91.3Very high94.6Very high1 Ų112.6 Ų12.61%0.0056%0.06CC..Hα-helixtrans-71.1-36.3172.2-69.3-177.2000112.1L458 M459 L563 H566 A568 F569 S603 V604 L605 F683L458-L607 HydrophobicContact CB-CD2 4.15Å; M459-L607 WeakPolarHBondContact CB-O 3.37Å; M459-L607 HydrophobicContact CG-CB 3.71Å; M459-L607 HydrophobicContact CG-CD2 4.11Å; M459-L607 HydrophobicContact CG-CG 4.38Å; M459-L607 WeakPolarHBondContact CG-O 3.23Å; M459-L607 PolarHBondContact N-O 3.41Å; M459-L607 HydrophobicContact SD-CD2 4.12Å; L563-L607 HydrophobicContact CD1-CD1 4.25Å; H566-L607 WeakPolarHBondContact CE1-CD2 3.46Å; A568-L607 HydrophobicContact CB-CD2 3.91Å; F569-L607 HydrophobicContact CE2-CD1 4.4Å; F569-L607 HydrophobicContact CE2-CD2 3.76Å; F569-L607 HydrophobicContact CE2-CG 4.02Å; F569-L607 HydrophobicContact CZ-CD2 4.21Å; F569-L607 HydrophobicContact CZ-CG 4.44Å; S603-L607 WeakPolarHBondContact O-CG 3.28Å; S603-L607 PolarHBondContact O-N 2.99Å; V604-L607 PolarHBondContact O-N 3.42Å; L605-L607 PolarHBondContact O-N 2.79Å; L607-F683 HydrophobicContact CD1-CE1 4.38Å; L607-F683 HydrophobicContact CD1-CE2 3.72Å; L607-F683 HydrophobicContact CD1-CZ 3.44Å; L607-F683 VanDerWaalsContact CD1-CZ 3.44Å
608Y92.8Very high95Very high18 Ų1812.2 Ų12.27%0.0716%0.057CC..Hα-helixtrans-113.1-10.4-171.2-63.9-71.3000115.4M459 R516 G517 W520 V604 L605 F683 V687M459-Y608 HydrophobicContact CG-CE1 4.49Å; R516-Y608 HydrophobicContact CB-CD1 4.12Å; R516-Y608 HydrophobicContact CB-CG 4.07Å; R516-Y608 PolarHBondContact NH1-OH 2.92Å; G517-Y608 VanDerWaalsContact CA-O 3.26Å; G517-Y608 WeakPolarHBondContact CA-O 3.45Å; G517-Y608 PolarHBondContact N-O 2.83Å; W520-Y608 AromaticContact CH2-CD2 3.49Å; W520-Y608 HydrophobicContact CH2-CD2 3.49Å; W520-Y608 VanDerWaalsContact CH2-CD2 3.49Å; W520-Y608 HydrophobicContact CH2-CE2 4.15Å; W520-Y608 HydrophobicContact CH2-CG 4.14Å; W520-Y608 HydrophobicContact CZ2-CD2 4.39Å; W520-Y608 AromaticContact CZ3-CD2 3.84Å; W520-Y608 HydrophobicContact CZ3-CD2 3.84Å; W520-Y608 HydrophobicContact CZ3-CG 4.28Å; V604-Y608 HydrophobicContact CG1-CD2 4.37Å; V604-Y608 HydrophobicContact CG1-CE2 4.33Å; V604-Y608 WeakPolarHBondContact O-CD2 3.47Å; L605-Y608 PolarHBondContact O-N 3.44Å; L605-Y608 VanDerWaalsContact O-N 3.17Å; Y608-F683 AromaticContact CE2-CZ 3.89Å; Y608-F683 HydrophobicContact CE2-CZ 3.89Å; Y608-F683 WeakPolarHBondContact OH-CZ 3.31Å; Y608-V687 HydrophobicContact CE2-CG1 3.78Å; Y608-V687 HydrophobicContact CE2-CG2 3.81Å
609A94.3Very high95Very high1 Ų112.2 Ų12.21%0.0086%0.057CC..SBendtrans-129.7159.5178.700000111.1A457 L605 E613 L617A457-A609 WeakPolarHBondContact CA-O 3.39Å; A457-A609 WeakPolarHBondContact CB-O 3.43Å; L605-A609 WeakPolarHBondContact O-CB 3.12Å; L605-A609 PolarHBondContact O-N 3.49Å; A609-E613 HydrophobicContact CB-CB 3.76Å; A609-L617 HydrophobicContact CB-CD1 3.95Å
610K93.8Very high95.1Very high92 Ų9212 Ų1240%0.46%0.056SC..  trans-65.5170.6171.5-57.1-177.6-165.384.50111.1S455 E612 E613 A614S455-K610 VanDerWaalsContact O-CD 3.3Å; S455-K610 WeakPolarHBondContact O-CD 3.43Å; K610-E612 PolarHBondContact O-N 3.31Å; K610-E613 HydrophobicContact CB-CB 4.28Å; K610-E613 HydrophobicContact CB-CG 3.99Å; K610-E613 HydrophobicContact CG-CG 4.48Å; K610-E613 WeakPolarHBondContact CG-OE2 3.2Å; K610-E613 PolarHBondContact N-OE2 2.59Å; K610-E613 IonicContact NZ-OE1 3.71Å; K610-E613 PolarHBondContact NZ-OE1 3.45Å; K610-E613 IonicContact NZ-OE2 3.47Å; K610-E613 WeakPolarHBondContact O-CB 3.46Å; K610-E613 PolarHBondContact O-N 3.31Å; K610-A614 WeakPolarHBondContact O-CB 3.5Å; K610-A614 PolarHBondContact O-N 3.04Å
611E94.8Very high95.2Very high2 Ų210.5 Ų10.51%0.0095%0.048CC..Hα-helixtrans-59.8-50.6-176.1-160.2179133.100114.1T453 A454 Y537 A577 R580 V581 L606 E613 A614 F615T453-E611 WeakPolarHBondContact CA-OE2 3.22Å; A454-E611 HydrophobicContact CB-CB 4.31Å; A454-E611 PolarHBondContact N-OE2 2.69Å; A454-E611 PolarHBondContact O-N 3.46Å; Y537-E611 HydrophobicContact CE1-CB 4.44Å; Y537-E611 HydrophobicContact CE1-CG 3.99Å; Y537-E611 WeakPolarHBondContact OH-CG 3.37Å; Y537-E611 PolarHBondContact OH-OE1 2.83Å; A577-E611 HydrophobicContact CB-CG 4.27Å; R580-E611 WeakPolarHBondContact CB-OE1 2.95Å; R580-E611 IonicContact CZ-OE1 2.8Å; R580-E611 IonicContact CZ-OE2 3.26Å; R580-E611 IonicContact NE-OE1 2.64Å; R580-E611 PolarHBondContact NE-OE1 3.48Å; R580-E611 IonicContact NE-OE2 2.69Å; R580-E611 PolarHBondContact NE-OE2 2.78Å; R580-E611 IonicContact NH2-OE1 2.64Å; R580-E611 IonicContact NH2-OE2 2.69Å; R580-E611 PolarHBondContact NH2-OE2 3.23Å; V581-E611 HydrophobicContact CG2-CG 3.65Å; L606-E611 HydrophobicContact CD2-CB 4.39Å; L606-E611 HydrophobicContact CD2-CG 4.19Å; E611-E613 VanDerWaalsContact C-N 3.34Å; E611-E613 PolarHBondContact O-N 2.91Å; E611-A614 PolarHBondContact O-N 2.79Å; E611-F615 PolarHBondContact O-N 2.76Å; E611-F615 VanDerWaalsContact O-N 3.08Å
612E95.8Very high95.2Very high62 Ų6210.4 Ų10.429%0.295%0.047SC..Hα-helixtrans-63.9-39.3174.5170.7167.6-148.800111.9M530 Y537 K610 A614 F615 W616M530-E612 HydrophobicContact CG-CG 4.44Å; M530-E612 HydrophobicContact SD-CG 4.27Å; Y537-E612 HydrophobicContact CD1-CB 3.77Å; Y537-E612 HydrophobicContact CD1-CG 4.42Å; Y537-E612 HydrophobicContact CG-CB 4.07Å; Y537-E612 HydrophobicContact CG-CG 4.26Å; K610-E612 PolarHBondContact O-N 3.31Å; E612-A614 VanDerWaalsContact C-N 3.34Å; E612-A614 PolarHBondContact O-N 2.65Å; E612-F615 WeakPolarHBondContact O-CB 3.28Å; E612-F615 PolarHBondContact O-N 2.77Å; E612-W616 VanDerWaalsContact CG-CD1 3.43Å; E612-W616 PolarHBondContact O-N 3Å; E612-W616 PolarHBondContact OE1-NE1 3.09Å
613E96.6Very high94.9Very high31 Ų3111.3 Ų11.315%0.1455%0.052CC..Hα-helixtrans-63.4-41.4179.7-65.3173176.100111.2L521 M530 A609 K610 E611 W616 L617L521-E613 HydrophobicContact CD1-CB 3.97Å; L521-E613 HydrophobicContact CD1-CG 3.84Å; L521-E613 HydrophobicContact CD2-CB 4.29Å; M530-E613 HydrophobicContact CE-CG 4.38Å; M530-E613 HydrophobicContact SD-CG 4Å; A609-E613 HydrophobicContact CB-CB 3.76Å; K610-E613 HydrophobicContact CB-CB 4.28Å; K610-E613 HydrophobicContact CB-CG 3.99Å; K610-E613 HydrophobicContact CG-CG 4.48Å; K610-E613 WeakPolarHBondContact CG-OE2 3.2Å; K610-E613 PolarHBondContact N-OE2 2.59Å; K610-E613 IonicContact NZ-OE1 3.71Å; K610-E613 PolarHBondContact NZ-OE1 3.45Å; K610-E613 IonicContact NZ-OE2 3.47Å; K610-E613 WeakPolarHBondContact O-CB 3.46Å; K610-E613 PolarHBondContact O-N 3.31Å; E611-E613 VanDerWaalsContact C-N 3.34Å; E611-E613 PolarHBondContact O-N 2.91Å; E613-W616 PolarHBondContact O-N 2.91Å; E613-L617 WeakPolarHBondContact O-CB 3.16Å; E613-L617 VanDerWaalsContact O-CG 3.27Å; E613-L617 WeakPolarHBondContact O-CG 3.41Å; E613-L617 PolarHBondContact O-N 2.82Å
614A97.6Very high94.7Very high0 Ų013.5 Ų13.50%06%0.06CC..Hα-helixtrans-65-37.3173.800000112.1L605 L606 K610 E611 E612 L617 L618L605-A614 HydrophobicContact CB-CB 3.84Å; L606-A614 HydrophobicContact CD2-CB 3.71Å; L606-A614 HydrophobicContact CG-CB 3.86Å; K610-A614 WeakPolarHBondContact O-CB 3.5Å; K610-A614 PolarHBondContact O-N 3.04Å; E611-A614 PolarHBondContact O-N 2.79Å; E612-A614 VanDerWaalsContact C-N 3.34Å; E612-A614 PolarHBondContact O-N 2.65Å; A614-L617 PolarHBondContact O-N 2.81Å; A614-L618 WeakPolarHBondContact O-CB 3.36Å; A614-L618 PolarHBondContact O-N 2.87Å
615F97.7Very high94.6Very high0 Ų014.2 Ų14.20%06%0.063CC..Hα-helixtrans-61.2-48.5171.3166-94.5000112.1Y536 Y537 L540 V581 A584 E611 E612 L617 L618 V619Y536-F615 HydrophobicContact CD1-CE1 4.39Å; Y536-F615 HydrophobicContact CE1-CE1 4.45Å; Y536-F615 HydrophobicContact CE1-CZ 4.33Å; Y537-F615 HydrophobicContact CD2-CB 3.63Å; Y537-F615 AromaticContact CD2-CD1 3.6Å; Y537-F615 HydrophobicContact CD2-CD1 3.6Å; Y537-F615 AromaticContact CD2-CD2 3.67Å; Y537-F615 HydrophobicContact CD2-CD2 3.67Å; Y537-F615 HydrophobicContact CD2-CE1 4.14Å; Y537-F615 HydrophobicContact CD2-CE2 4.19Å; Y537-F615 AromaticContact CD2-CG 3.34Å; Y537-F615 HydrophobicContact CD2-CG 3.34Å; Y537-F615 HydrophobicContact CD2-CZ 4.41Å; Y537-F615 HydrophobicContact CE2-CB 3.68Å; Y537-F615 HydrophobicContact CE2-CD1 4.43Å; Y537-F615 AromaticContact CE2-CD2 3.81Å; Y537-F615 HydrophobicContact CE2-CD2 3.81Å; Y537-F615 AromaticContact CE2-CG 3.72Å; Y537-F615 HydrophobicContact CE2-CG 3.72Å; Y537-F615 HydrophobicContact CG-CB 4.43Å; Y537-F615 HydrophobicContact CG-CD1 4.23Å; Y537-F615 HydrophobicContact CG-CG 4.3Å; L540-F615 HydrophobicContact CD1-CE1 4.31Å; L540-F615 HydrophobicContact CD1-CE2 4.05Å; L540-F615 HydrophobicContact CD1-CZ 3.47Å; L540-F615 VanDerWaalsContact CD1-CZ 3.47Å; V581-F615 HydrophobicContact CG1-CB 3.98Å; V581-F615 HydrophobicContact CG2-CB 4.4Å; A584-F615 HydrophobicContact CB-CD2 4.36Å; A584-F615 HydrophobicContact CB-CE2 4.23Å; E611-F615 PolarHBondContact O-N 2.76Å; E611-F615 VanDerWaalsContact O-N 3.08Å; E612-F615 WeakPolarHBondContact O-CB 3.28Å; E612-F615 PolarHBondContact O-N 2.77Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 3.1Å; F615-L618 WeakPolarHBondContact O-CB 3.47Å; F615-L618 PolarHBondContact O-N 3.3Å; F615-L618 VanDerWaalsContact O-N 3.16Å; F615-V619 HydrophobicContact CD1-CG2 4.48Å; F615-V619 HydrophobicContact CE1-CG2 4.08Å; F615-V619 HydrophobicContact CE2-CG2 4.18Å; F615-V619 HydrophobicContact CZ-CG2 3.91Å; F615-V619 WeakPolarHBondContact O-CG2 3.16Å; F615-V619 PolarHBondContact O-N 2.93Å
616W96.9Very high94.4Very high2 Ų214.1 Ų14.11%0.0086%0.063CC..Hα-helixtrans-68.5-30.3178.3-71.6111.1000113.1A526 E529 M530 H533 Y536 E612 E613 V619 A620A526-W616 HydrophobicContact CB-CB 4.24Å; A526-W616 WeakPolarHBondContact CB-O 3.35Å; E529-W616 HydrophobicContact CB-CE3 3.8Å; E529-W616 HydrophobicContact CB-CH2 4.46Å; E529-W616 HydrophobicContact CB-CZ3 3.7Å; M530-W616 HydrophobicContact CB-CB 4.34Å; M530-W616 HydrophobicContact CB-CD2 4.12Å; M530-W616 HydrophobicContact CB-CG 3.75Å; M530-W616 VanDerWaalsContact CG-CD1 3.41Å; M530-W616 HydrophobicContact CG-CG 4.15Å; H533-W616 HydrophobicContact CB-CH2 3.75Å; H533-W616 HydrophobicContact CB-CZ2 3.74Å; H533-W616 AromaticContact CG-CH2 3.93Å; H533-W616 AromaticContact ND1-CH2 3.76Å; Y536-W616 AromaticContact CD1-CH2 3.5Å; Y536-W616 HydrophobicContact CD1-CH2 3.5Å; Y536-W616 VanDerWaalsContact CD1-CH2 3.5Å; Y536-W616 AromaticContact CD1-CZ2 3.57Å; Y536-W616 HydrophobicContact CD1-CZ2 3.57Å; Y536-W616 AromaticContact CE1-CH2 3.92Å; Y536-W616 HydrophobicContact CE1-CH2 3.92Å; Y536-W616 HydrophobicContact CE1-CZ2 4.38Å; Y536-W616 HydrophobicContact CG-CH2 4.44Å; Y536-W616 HydrophobicContact CG-CZ2 4.36Å; E612-W616 VanDerWaalsContact CG-CD1 3.43Å; E612-W616 PolarHBondContact O-N 3Å; E612-W616 PolarHBondContact OE1-NE1 3.09Å; E613-W616 PolarHBondContact O-N 2.91Å; W616-V619 HydrophobicContact CE3-CB 4.39Å; W616-V619 HydrophobicContact CE3-CG1 4.38Å; W616-A620 WeakPolarHBondContact O-CB 3.49Å; W616-A620 PolarHBondContact O-N 3.11Å
617L97.9Very high93.9Very high0 Ų016 Ų160%08%0.075CC..Hα-helixtrans-65-42.2168.9-74.5170000112W520 L521 A526 L605 A609 E613 A614 F615 A620 L621 F694W520-L617 HydrophobicContact CB-CD1 4.25Å; W520-L617 HydrophobicContact CB-CD2 3.9Å; W520-L617 HydrophobicContact CE3-CD1 4.42Å; L521-L617 HydrophobicContact CD2-CD1 4.41Å; L521-L617 HydrophobicContact CD2-CD2 4.13Å; L521-L617 HydrophobicContact CD2-CG 3.86Å; L521-L617 HydrophobicContact CG-CD1 4.36Å; L521-L617 HydrophobicContact CG-CD2 4.29Å; L521-L617 HydrophobicContact CG-CG 4.23Å; A526-L617 HydrophobicContact CB-CD2 4.27Å; L605-L617 HydrophobicContact CD1-CB 3.82Å; L605-L617 HydrophobicContact CD2-CB 4.1Å; L605-L617 HydrophobicContact CD2-CD1 4.17Å; L605-L617 HydrophobicContact CG-CB 4.43Å; A609-L617 HydrophobicContact CB-CD1 3.95Å; E613-L617 WeakPolarHBondContact O-CB 3.16Å; E613-L617 VanDerWaalsContact O-CG 3.27Å; E613-L617 WeakPolarHBondContact O-CG 3.41Å; E613-L617 PolarHBondContact O-N 2.82Å; A614-L617 PolarHBondContact O-N 2.81Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 3.1Å; L617-A620 PolarHBondContact O-N 3.43Å; L617-L621 WeakPolarHBondContact O-CB 3.21Å; L617-L621 PolarHBondContact O-N 3.03Å; L617-F694 HydrophobicContact CD2-CE1 4.05Å; L617-F694 HydrophobicContact CD2-CZ 4.08Å
618L97.1Very high93.7Very high0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-63.2-43.5174.6-177.963.9000111.5V581 L582 Y585 M598 T602 L605 A614 F615 L621 C622V581-L618 HydrophobicContact CG1-CD2 4.05Å; L582-L618 HydrophobicContact CD2-CD2 4.32Å; Y585-L618 HydrophobicContact CD1-CD2 4.45Å; Y585-L618 HydrophobicContact CD2-CD2 4.2Å; Y585-L618 HydrophobicContact CD2-CG 4.16Å; Y585-L618 HydrophobicContact CG-CD2 3.87Å; Y585-L618 HydrophobicContact CG-CG 4.26Å; M598-L618 HydrophobicContact CE-CD1 4.24Å; M598-L618 HydrophobicContact CE-CD2 4.22Å; T602-L618 HydrophobicContact CG2-CD2 4.37Å; T602-L618 WeakPolarHBondContact OG1-CD1 3.28Å; L605-L618 HydrophobicContact CD1-CB 4.2Å; A614-L618 WeakPolarHBondContact O-CB 3.36Å; A614-L618 PolarHBondContact O-N 2.87Å; F615-L618 WeakPolarHBondContact O-CB 3.47Å; F615-L618 PolarHBondContact O-N 3.3Å; F615-L618 VanDerWaalsContact O-N 3.16Å; L618-L621 PolarHBondContact O-N 3.2Å; L618-C622 PolarHBondContact O-N 3.07Å
619V95.3Very high93.5Very high0 Ų017.1 Ų17.10%08%0.082CC..Hα-helixtrans-57.2-52.4172.5172.30000110.7Y585 F615 W616 L621 E623Y585-V619 HydrophobicContact CD2-CG2 3.77Å; Y585-V619 HydrophobicContact CE2-CG2 3.96Å; F615-V619 HydrophobicContact CD1-CG2 4.48Å; F615-V619 HydrophobicContact CE1-CG2 4.08Å; F615-V619 HydrophobicContact CE2-CG2 4.18Å; F615-V619 HydrophobicContact CZ-CG2 3.91Å; F615-V619 WeakPolarHBondContact O-CG2 3.16Å; F615-V619 PolarHBondContact O-N 2.93Å; W616-V619 HydrophobicContact CE3-CB 4.39Å; W616-V619 HydrophobicContact CE3-CG1 4.38Å; V619-L621 VanDerWaalsContact C-N 3.27Å; V619-L621 PolarHBondContact O-N 2.71Å; V619-E623 HydrophobicContact CG1-CG 4.36Å; V619-E623 WeakPolarHBondContact O-CA 3.32Å; V619-E623 WeakPolarHBondContact O-CB 3.23Å; V619-E623 PolarHBondContact O-N 3.13Å
620A95.1Very high93.2Very high1 Ų117.2 Ų17.21%0.0088%0.083CC..Hα-helixtrans-60-37.3178.500000113A526 W616 L617 R624 M625A526-A620 HydrophobicContact CB-CB 3.83Å; W616-A620 WeakPolarHBondContact O-CB 3.49Å; W616-A620 PolarHBondContact O-N 3.11Å; L617-A620 PolarHBondContact O-N 3.43Å; A620-R624 VanDerWaalsContact CB-NH2 3.27Å; A620-R624 WeakPolarHBondContact O-CB 3.32Å; A620-R624 PolarHBondContact O-N 3.27Å; A620-R624 VanDerWaalsContact O-N 3.16Å; A620-M625 PolarHBondContact O-N 3.02Å
621L95.3Very high92.6Very high1 Ų113.8 Ų13.81%0.0057%0.068CC..Iπ-helixtrans-68.5-58.2-179.9-175.1144.1000111.2V601 L617 L618 V619 M625 L626 Y630 L676 F693 F694V601-L621 HydrophobicContact CG1-CD1 3.64Å; V601-L621 HydrophobicContact CG1-CD2 4.27Å; L617-L621 WeakPolarHBondContact O-CB 3.21Å; L617-L621 PolarHBondContact O-N 3.03Å; L618-L621 PolarHBondContact O-N 3.2Å; V619-L621 VanDerWaalsContact C-N 3.27Å; V619-L621 PolarHBondContact O-N 2.71Å; L621-M625 PolarHBondContact O-N 2.9Å; L621-L626 HydrophobicContact CD2-CD1 3.97Å; L621-L626 HydrophobicContact CG-CD1 4.06Å; L621-L626 WeakPolarHBondContact O-CB 3.33Å; L621-L626 PolarHBondContact O-N 2.91Å; L621-Y630 HydrophobicContact CD2-CD2 4.33Å; L621-Y630 HydrophobicContact CD2-CE2 3.48Å; L621-Y630 VanDerWaalsContact CD2-CE2 3.48Å; L621-L676 HydrophobicContact CD1-CD1 4.03Å; L621-F693 HydrophobicContact CD1-CE1 4.09Å; L621-F694 HydrophobicContact CD1-CZ 4.36Å
622C93.1Very high91.7Very high2 Ų218 Ų181%0.0149%0.094CC..Iπ-helixtrans-73.7-31.4-176.6-62.10000113.7Y585 L618 Y630Y585-C622 HydrophobicContact CE2-CB 4.34Å; Y585-C622 VanDerWaalsContact OH-CB 3.24Å; Y585-C622 WeakPolarHBondContact OH-CB 3.26Å; L618-C622 PolarHBondContact O-N 3.07Å; C622-Y630 HydrophobicContact CB-CD2 4.1Å; C622-Y630 WeakPolarHBondContact SG-CD2 3.27Å
623E90Very high90.8Very high19 Ų1917 Ų179%0.0899%0.088CC..Iπ-helixtrans-95.3-25.4-174.7-65.7-150.3-125.200114.8K300 Y585 R588 I592 V619K300-E623 WeakPolarHBondContact CE-O 3.39Å; K300-E623 PolarHBondContact NZ-O 2.96Å; K300-E623 IonicContact NZ-OE2 3.19Å; K300-E623 PolarHBondContact NZ-OE2 3Å; Y585-E623 HydrophobicContact CE2-CG 4.48Å; R588-E623 IonicContact CZ-OE1 2.75Å; R588-E623 VanDerWaalsContact CZ-OE1 3.31Å; R588-E623 IonicContact NE-OE1 2.59Å; R588-E623 PolarHBondContact NE-OE1 2.85Å; R588-E623 IonicContact NH2-OE1 2.65Å; R588-E623 PolarHBondContact NH2-OE1 3.22Å; R588-E623 IonicContact NH2-OE2 3.23Å; I592-E623 HydrophobicContact CD1-CG 4.45Å; V619-E623 HydrophobicContact CG1-CG 4.36Å; V619-E623 WeakPolarHBondContact O-CA 3.32Å; V619-E623 WeakPolarHBondContact O-CB 3.23Å; V619-E623 PolarHBondContact O-N 3.13Å
624R89.4Confident90.4Very high45 Ų4517.1 Ų17.117%0.179%0.091CC..Iπ-helixtrans-126.6-43.5-172.3170.4171.361.7-129.7-13.5114.6R297 L298 S524 E529 A620R297-R624 PolarHBondContact O-NE 3.24Å; R297-R624 PolarHBondContact O-NH1 3.26Å; L298-R624 VanDerWaalsContact O-CD 3.31Å; L298-R624 WeakPolarHBondContact O-CD 3.42Å; L298-R624 PolarHBondContact O-NH1 2.97Å; L298-R624 VanDerWaalsContact O-NH1 3.16Å; S524-R624 PolarHBondContact O-NE 3.19Å; S524-R624 VanDerWaalsContact O-NE 3.12Å; S524-R624 PolarHBondContact O-NH2 2.82Å; S524-R624 VanDerWaalsContact O-NH2 3.12Å; E529-R624 IonicContact OE1-CZ 3.46Å; E529-R624 IonicContact OE1-NH1 3.33Å; E529-R624 PolarHBondContact OE1-NH1 3.24Å; E529-R624 IonicContact OE1-NH2 2.69Å; E529-R624 PolarHBondContact OE1-NH2 3.42Å; E529-R624 IonicContact OE2-NH1 2.77Å; A620-R624 VanDerWaalsContact CB-NH2 3.27Å; A620-R624 WeakPolarHBondContact O-CB 3.32Å; A620-R624 PolarHBondContact O-N 3.27Å; A620-R624 VanDerWaalsContact O-N 3.16Å
625M91.8Very high89.9Confident18 Ų1817.2 Ų17.29%0.0899%0.091CC..Iπ-helixtrans-85.5-35.6-175.3-61.3-171.566.300112.8A620 L621 P627 F693 F694A620-M625 PolarHBondContact O-N 3.02Å; L621-M625 PolarHBondContact O-N 2.9Å; M625-P627 VanDerWaalsContact C-CD 3.45Å; M625-F693 HydrophobicContact CB-CZ 3.91Å; M625-F693 HydrophobicContact CE-CD1 4.28Å; M625-F693 HydrophobicContact CE-CE1 3.77Å; M625-F693 HydrophobicContact CE-CE2 4.33Å; M625-F693 HydrophobicContact CE-CZ 3.8Å; M625-F693 WeakPolarHBondContact CE-O 3.44Å; M625-F693 HydrophobicContact SD-CE1 4.22Å; M625-F693 HydrophobicContact SD-CZ 4.42Å; M625-F694 HydrophobicContact CE-CD1 4.32Å; M625-F694 HydrophobicContact SD-CD1 3.93Å; M625-F694 HydrophobicContact SD-CE1 4.18Å
626L91.9Very high89.5Confident0 Ų017.4 Ų17.40%09%0.093CC..SBendtrans-127.561.2-179.8-58.4176.6000110.2L621 Y629 Y630 L676 F693 I698L621-L626 HydrophobicContact CD2-CD1 3.97Å; L621-L626 HydrophobicContact CG-CD1 4.06Å; L621-L626 WeakPolarHBondContact O-CB 3.33Å; L621-L626 PolarHBondContact O-N 2.91Å; L626-Y629 HydrophobicContact CB-CD1 4.03Å; L626-Y629 HydrophobicContact CB-CD2 3.93Å; L626-Y629 HydrophobicContact CB-CE1 4.49Å; L626-Y629 HydrophobicContact CB-CE2 4.41Å; L626-Y629 HydrophobicContact CB-CG 3.73Å; L626-Y629 HydrophobicContact CD1-CD1 4.17Å; L626-Y629 HydrophobicContact CD1-CE1 4.4Å; L626-Y629 HydrophobicContact CD2-CD1 4.21Å; L626-Y629 HydrophobicContact CD2-CE1 3.84Å; L626-Y629 HydrophobicContact CD2-CE2 4.18Å; L626-Y629 HydrophobicContact CG-CD1 4.36Å; L626-Y629 HydrophobicContact CG-CE1 4.47Å; L626-Y629 WeakPolarHBondContact O-CB 3.43Å; L626-Y629 PolarHBondContact O-N 2.83Å; L626-Y630 HydrophobicContact CB-CE2 4.04Å; L626-Y630 HydrophobicContact CD1-CE2 3.8Å; L626-L676 HydrophobicContact CD1-CD1 4.47Å; L626-L676 HydrophobicContact CD1-CD2 4.18Å; L626-F693 HydrophobicContact CD1-CE2 4.39Å; L626-F693 HydrophobicContact CD1-CZ 3.93Å; L626-F693 HydrophobicContact CD2-CE2 3.84Å; L626-F693 HydrophobicContact CD2-CZ 3.99Å; L626-F693 HydrophobicContact CG-CE2 4.21Å; L626-F693 HydrophobicContact CG-CZ 3.83Å; L626-I698 HydrophobicContact CD2-CB 4.18Å; L626-I698 HydrophobicContact CD2-CD1 3.82Å; L626-I698 HydrophobicContact CD2-CG1 4.23Å
627P84.5Confident89.3Confident42 Ų4217.3 Ų17.327%0.2739%0.093SC..THydrogen-bonded Turntrans-59.2142.6179.327.9-35.5000110.6M625 Y629M625-P627 VanDerWaalsContact C-CD 3.45Å; P627-Y629 PolarHBondContact O-N 3.15Å
628D85.9Confident89Confident41 Ų4119.4 Ų19.422%0.21910%0.104CC..THydrogen-bonded Turntrans64.41.7178.1-41.4-33.2000115.1N631 V635 G636D628-N631 PolarHBondContact O-ND2 2.86Å; D628-N631 PolarHBondContact O-OD1 2.98Å; D628-V635 PolarHBondContact O-N 2.83Å; D628-G636 PolarHBondContact O-N 3.29Å
629Y89.9Confident88.8Confident1 Ų119.4 Ų19.40%0.00410%0.104CC..THydrogen-bonded Turntrans-69.1-43.8179.6-92.5-129.9000113.6L626 P627 V634 G636 A637 D640 F673 L674 I698L626-Y629 HydrophobicContact CB-CD1 4.03Å; L626-Y629 HydrophobicContact CB-CD2 3.93Å; L626-Y629 HydrophobicContact CB-CE1 4.49Å; L626-Y629 HydrophobicContact CB-CE2 4.41Å; L626-Y629 HydrophobicContact CB-CG 3.73Å; L626-Y629 HydrophobicContact CD1-CD1 4.17Å; L626-Y629 HydrophobicContact CD1-CE1 4.4Å; L626-Y629 HydrophobicContact CD2-CD1 4.21Å; L626-Y629 HydrophobicContact CD2-CE1 3.84Å; L626-Y629 HydrophobicContact CD2-CE2 4.18Å; L626-Y629 HydrophobicContact CG-CD1 4.36Å; L626-Y629 HydrophobicContact CG-CE1 4.47Å; L626-Y629 WeakPolarHBondContact O-CB 3.43Å; L626-Y629 PolarHBondContact O-N 2.83Å; P627-Y629 PolarHBondContact O-N 3.15Å; Y629-V634 WeakPolarHBondContact O-CA 3.5Å; Y629-V634 WeakPolarHBondContact O-CB 3.33Å; Y629-V634 WeakPolarHBondContact O-CG1 3.49Å; Y629-G636 VanDerWaalsContact CD2-C 3.43Å; Y629-G636 VanDerWaalsContact CE2-C 3.49Å; Y629-G636 WeakPolarHBondContact CE2-O 3.46Å; Y629-A637 HydrophobicContact CD1-CB 3.98Å; Y629-A637 HydrophobicContact CE1-CB 4.27Å; Y629-A637 HydrophobicContact CG-CB 4.18Å; Y629-D640 HydrophobicContact CE2-CB 4.39Å; Y629-D640 VanDerWaalsContact OH-CB 3.27Å; Y629-D640 WeakPolarHBondContact OH-CB 3.22Å; Y629-D640 VanDerWaalsContact OH-CG 3.24Å; Y629-D640 PolarHBondContact OH-OD2 2.91Å; Y629-F673 HydrophobicContact CE1-CB 4.25Å; Y629-L674 HydrophobicContact CD1-CD2 4.42Å; Y629-I698 HydrophobicContact CE1-CD1 4.49Å; Y629-I698 VanDerWaalsContact OH-CD1 3.25Å; Y629-I698 WeakPolarHBondContact OH-CD1 3.16Å
630Y87.2Confident88.8Confident3 Ų319.5 Ų19.51%0.01210%0.104CC..THydrogen-bonded Turntrans-106.920.5-168.1-58.5-82.1000112.9I592 C595 M598 L621 C622 L626 L674I592-Y630 WeakPolarHBondContact CG2-O 3.35Å; C595-Y630 HydrophobicContact CB-CD1 4.4Å; C595-Y630 WeakPolarHBondContact CB-O 3.18Å; M598-Y630 HydrophobicContact CG-CD1 3.48Å; M598-Y630 VanDerWaalsContact CG-CD1 3.48Å; M598-Y630 HydrophobicContact CG-CE1 4.13Å; M598-Y630 HydrophobicContact CG-CG 3.94Å; M598-Y630 HydrophobicContact SD-CD1 4.41Å; M598-Y630 HydrophobicContact SD-CG 4.4Å; L621-Y630 HydrophobicContact CD2-CD2 4.33Å; L621-Y630 HydrophobicContact CD2-CE2 3.48Å; L621-Y630 VanDerWaalsContact CD2-CE2 3.48Å; C622-Y630 HydrophobicContact CB-CD2 4.1Å; C622-Y630 WeakPolarHBondContact SG-CD2 3.27Å; L626-Y630 HydrophobicContact CB-CE2 4.04Å; L626-Y630 HydrophobicContact CD1-CE2 3.8Å; Y630-L674 HydrophobicContact CD1-CD2 4.47Å; Y630-L674 HydrophobicContact CE1-CD2 4.31Å; Y630-L674 PolarHBondContact OH-O 2.85Å
631N81.1Confident88.8Confident19 Ų1920.6 Ų20.610%0.10211%0.109CC..SBendtrans-79.9167.116866.425.3000110.3D628 R633 V634 V635D628-N631 PolarHBondContact O-ND2 2.86Å; D628-N631 PolarHBondContact O-OD1 2.98Å; N631-R633 PolarHBondContact O-N 2.88Å; N631-R633 PolarHBondContact OD1-N 2.83Å; N631-V634 PolarHBondContact O-N 2.85Å; N631-V634 PolarHBondContact OD1-N 2.89Å; N631-V635 PolarHBondContact OD1-N 2.99Å
632T74.9Confident88.7Confident91 Ų9120.8 Ų20.856%0.55811%0.112SC*.THydrogen-bonded Turntrans-57-19.9-175.856.30000114.8
633R78.6Confident88.8Confident42 Ų4220.7 Ų20.716%0.15811%0.111CC..THydrogen-bonded Turntrans-104.61.7179.8-62.2-179.4-178.7-151.6-3.9113.6N631 V635 E800 Q858N631-R633 PolarHBondContact O-N 2.88Å; N631-R633 PolarHBondContact OD1-N 2.83Å; R633-V635 HydrophobicContact CB-CG2 3.58Å; R633-V635 PolarHBondContact O-N 3.09Å; R633-E800 IonicContact NH1-OE1 3.86Å; R633-E800 PolarHBondContact NH1-OE1 3.38Å; R633-E800 VanDerWaalsContact NH1-OE1 3.13Å; R633-Q858 VanDerWaalsContact NH2-NE2 3.14Å
634V87Confident89.1Confident33 Ų3319.8 Ų19.820%0.211%0.107CC..  trans4236-176.5-60.70000115Y629 N631 G636 A637 L638 L674Y629-V634 WeakPolarHBondContact O-CA 3.5Å; Y629-V634 WeakPolarHBondContact O-CB 3.33Å; Y629-V634 WeakPolarHBondContact O-CG1 3.49Å; N631-V634 PolarHBondContact O-N 2.85Å; N631-V634 PolarHBondContact OD1-N 2.89Å; V634-G636 VanDerWaalsContact C-N 3.33Å; V634-G636 PolarHBondContact O-N 3.19Å; V634-A637 HydrophobicContact CB-CB 4.43Å; V634-A637 PolarHBondContact O-N 3.35Å; V634-L638 HydrophobicContact CG2-CD1 4.11Å; V634-L638 HydrophobicContact CG2-CG 4.19Å; V634-L638 PolarHBondContact O-N 3.41Å; V634-L674 HydrophobicContact CG1-CD2 4.37Å
635V87.9Confident89.3Confident2 Ų219.2 Ų19.21%0.01211%0.106CC..Hα-helixtrans-60.8-40.4-164.3-172.10000112.3L254 D628 N631 R633 A637 L638 V639 V795 I796 I799L254-V635 HydrophobicContact CD1-CB 4.43Å; L254-V635 HydrophobicContact CD1-CG1 4Å; L254-V635 HydrophobicContact CD1-CG2 4.11Å; L254-V635 HydrophobicContact CD2-CG2 4.12Å; D628-V635 PolarHBondContact O-N 2.83Å; N631-V635 PolarHBondContact OD1-N 2.99Å; R633-V635 HydrophobicContact CB-CG2 3.58Å; R633-V635 PolarHBondContact O-N 3.09Å; V635-A637 VanDerWaalsContact C-N 3.32Å; V635-A637 PolarHBondContact O-N 2.79Å; V635-L638 PolarHBondContact O-N 2.91Å; V635-V639 HydrophobicContact CG1-CG2 4.43Å; V635-V639 WeakPolarHBondContact O-CB 3.34Å; V635-V639 VanDerWaalsContact O-CG2 3.29Å; V635-V639 WeakPolarHBondContact O-CG2 3.38Å; V635-V639 PolarHBondContact O-N 3.33Å; V635-V795 HydrophobicContact CG1-CG1 4.13Å; V635-I796 HydrophobicContact CG1-CG1 4.26Å; V635-I799 HydrophobicContact CG2-CD1 4.17Å
636G89.9Confident89.3Confident3 Ų320 Ų203%0.03111%0.109CC..Hα-helixtrans-63.5-36.917800000112.9D628 Y629 V634 V639 D640D628-G636 PolarHBondContact O-N 3.29Å; Y629-G636 VanDerWaalsContact CD2-C 3.43Å; Y629-G636 VanDerWaalsContact CE2-C 3.49Å; Y629-G636 WeakPolarHBondContact CE2-O 3.46Å; V634-G636 VanDerWaalsContact C-N 3.33Å; V634-G636 PolarHBondContact O-N 3.19Å; G636-V639 PolarHBondContact O-N 3.33Å; G636-D640 PolarHBondContact O-N 2.99Å
637A92.1Very high89.5Confident1 Ų120 Ų201%0.00811%0.11CC..Hα-helixtrans-72.8-38.6177.500000111.9Y629 V634 V635 V639 D640 Q641 L670 L674Y629-A637 HydrophobicContact CD1-CB 3.98Å; Y629-A637 HydrophobicContact CE1-CB 4.27Å; Y629-A637 HydrophobicContact CG-CB 4.18Å; V634-A637 HydrophobicContact CB-CB 4.43Å; V634-A637 PolarHBondContact O-N 3.35Å; V635-A637 VanDerWaalsContact C-N 3.32Å; V635-A637 PolarHBondContact O-N 2.79Å; A637-V639 VanDerWaalsContact C-N 3.34Å; A637-D640 PolarHBondContact O-N 2.84Å; A637-Q641 WeakPolarHBondContact O-CB 3.35Å; A637-Q641 PolarHBondContact O-N 3.24Å; A637-L670 HydrophobicContact CB-CD2 3.96Å; A637-L674 HydrophobicContact CB-CD2 3.66Å; A637-L674 HydrophobicContact CB-CG 4.02Å
638L92.2Very high89.9Confident43 Ų4318 Ų1823%0.22510%0.097CC..Hα-helixtrans-65.2-36.2172.4-72.6167.1000112.4V634 V635 G642 L670 V795 I799V634-L638 HydrophobicContact CG2-CD1 4.11Å; V634-L638 HydrophobicContact CG2-CG 4.19Å; V634-L638 PolarHBondContact O-N 3.41Å; V635-L638 PolarHBondContact O-N 2.91Å; L638-G642 PolarHBondContact O-N 3.17Å; L638-G642 VanDerWaalsContact O-N 3.13Å; L638-L670 HydrophobicContact CD2-CD1 4.13Å; L638-L670 HydrophobicContact CD2-CD2 4.06Å; L638-L670 HydrophobicContact CG-CD2 4.3Å; L638-V795 HydrophobicContact CB-CG1 3.66Å; L638-V795 HydrophobicContact CB-CG2 4.28Å; L638-V795 HydrophobicContact CD1-CG1 4.33Å; L638-I799 HydrophobicContact CD1-CD1 4.22Å
639V93Very high90.3Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-64.5-47.7173.3167.70000110.8V635 G636 A637 Q641 G642 V643 R788 Q791 R792 V795V635-V639 HydrophobicContact CG1-CG2 4.43Å; V635-V639 WeakPolarHBondContact O-CB 3.34Å; V635-V639 VanDerWaalsContact O-CG2 3.29Å; V635-V639 WeakPolarHBondContact O-CG2 3.38Å; V635-V639 PolarHBondContact O-N 3.33Å; G636-V639 PolarHBondContact O-N 3.33Å; A637-V639 VanDerWaalsContact C-N 3.34Å; V639-Q641 VanDerWaalsContact C-N 3.34Å; V639-Q641 PolarHBondContact O-N 3.22Å; V639-G642 WeakPolarHBondContact O-CA 3.12Å; V639-G642 PolarHBondContact O-N 3.34Å; V639-V643 WeakPolarHBondContact O-CG2 3.12Å; V639-V643 PolarHBondContact O-N 3.12Å; V639-R788 HydrophobicContact CG1-CB 4.03Å; V639-R788 HydrophobicContact CG1-CG 4.04Å; V639-R788 WeakPolarHBondContact CG1-O 3.32Å; V639-Q791 HydrophobicContact CG1-CB 4.32Å; V639-R792 HydrophobicContact CG1-CB 4.42Å; V639-R792 HydrophobicContact CG2-CB 3.84Å; V639-R792 HydrophobicContact CG2-CG 4.25Å; V639-V795 HydrophobicContact CG2-CB 4Å; V639-V795 HydrophobicContact CG2-CG1 4.2Å; V639-V795 HydrophobicContact CG2-CG2 4.03Å
640D94.8Very high90.4Very high2 Ų226.2 Ų26.21%0.01113%0.129CC..Hα-helixtrans-72.4-25.5-179.6-84.540.3000113.1Y629 G636 A637 V643 F644 F673 F702 R788Y629-D640 HydrophobicContact CE2-CB 4.39Å; Y629-D640 VanDerWaalsContact OH-CB 3.27Å; Y629-D640 WeakPolarHBondContact OH-CB 3.22Å; Y629-D640 VanDerWaalsContact OH-CG 3.24Å; Y629-D640 PolarHBondContact OH-OD2 2.91Å; G636-D640 PolarHBondContact O-N 2.99Å; A637-D640 PolarHBondContact O-N 2.84Å; D640-V643 PolarHBondContact O-N 2.92Å; D640-F644 WeakPolarHBondContact O-CB 3.46Å; D640-F644 PolarHBondContact O-N 3.41Å; D640-F673 HydrophobicContact CB-CD1 3.98Å; D640-F673 HydrophobicContact CB-CE1 4.09Å; D640-F702 HydrophobicContact CB-CE1 4.49Å; D640-F702 HydrophobicContact CB-CZ 3.77Å; D640-F702 WeakPolarHBondContact O-CE1 3.33Å; D640-F702 VanDerWaalsContact OD2-CE2 3.23Å; D640-F702 WeakPolarHBondContact OD2-CE2 3.5Å; D640-F702 WeakPolarHBondContact OD2-CZ 3.08Å; D640-R788 VanDerWaalsContact CG-NH2 3.35Å; D640-R788 WeakPolarHBondContact OD1-CG 3.18Å; D640-R788 IonicContact OD1-CZ 2.87Å; D640-R788 IonicContact OD1-NE 2.8Å; D640-R788 PolarHBondContact OD1-NE 2.97Å; D640-R788 IonicContact OD1-NH2 3.57Å; D640-R788 PolarHBondContact OD1-NH2 3.38Å; D640-R788 IonicContact OD2-CZ 2.83Å; D640-R788 IonicContact OD2-NE 3.47Å; D640-R788 PolarHBondContact OD2-NE 3.02Å; D640-R788 IonicContact OD2-NH2 3.43Å; D640-R788 PolarHBondContact OD2-NH2 3.48Å
641Q94.3Very high90.7Very high24 Ų2429.5 Ų29.511%0.11214%0.142CC..Hα-helixtrans-57.1-51.2161.4162.5-176.6-18.900110.8A637 V639 V643 F644 E645 S666 S669A637-Q641 WeakPolarHBondContact O-CB 3.35Å; A637-Q641 PolarHBondContact O-N 3.24Å; V639-Q641 VanDerWaalsContact C-N 3.34Å; V639-Q641 PolarHBondContact O-N 3.22Å; Q641-V643 PolarHBondContact O-N 3.28Å; Q641-F644 CarbonylContact O-C 3.49Å; Q641-F644 WeakPolarHBondContact O-CA 3.4Å; Q641-F644 WeakPolarHBondContact O-CB 3.46Å; Q641-F644 PolarHBondContact O-N 3.02Å; Q641-E645 HydrophobicContact CG-CG 4.43Å; Q641-E645 WeakPolarHBondContact CG-OE1 3.49Å; Q641-E645 PolarHBondContact NE2-OE1 3.2Å; Q641-E645 WeakPolarHBondContact O-CG 3.35Å; Q641-E645 PolarHBondContact O-N 3.16Å; Q641-S666 PolarHBondContact NE2-OG 3.45Å; Q641-S669 VanDerWaalsContact CG-OG 3.24Å; Q641-S669 WeakPolarHBondContact CG-OG 3.24Å
642G93.3Very high91.1Very high6 Ų629 Ų296%0.06214%0.14CC..Hα-helixtrans-62-31.3178.800000113.1L638 V639 E646 Q791L638-G642 PolarHBondContact O-N 3.17Å; L638-G642 VanDerWaalsContact O-N 3.13Å; V639-G642 WeakPolarHBondContact O-CA 3.12Å; V639-G642 PolarHBondContact O-N 3.34Å; G642-E646 WeakPolarHBondContact O-CB 3.44Å; G642-E646 PolarHBondContact O-N 2.86Å; G642-Q791 PolarHBondContact O-NE2 3.43Å; G642-Q791 VanDerWaalsContact O-NE2 3.09Å
643V95Very high92Very high0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-69.1-40.5170.2178.60000111.1V639 D640 Q641 E646 L647 F702 M787 R788 Q791V639-V643 WeakPolarHBondContact O-CG2 3.12Å; V639-V643 PolarHBondContact O-N 3.12Å; D640-V643 PolarHBondContact O-N 2.92Å; Q641-V643 PolarHBondContact O-N 3.28Å; V643-E646 PolarHBondContact O-N 2.65Å; V643-L647 HydrophobicContact CG1-CD1 3.94Å; V643-L647 HydrophobicContact CG1-CG 4.4Å; V643-L647 WeakPolarHBondContact O-CB 3.21Å; V643-L647 WeakPolarHBondContact O-CG 3.35Å; V643-L647 PolarHBondContact O-N 3.43Å; V643-F702 HydrophobicContact CB-CE1 3.79Å; V643-F702 HydrophobicContact CB-CZ 3.86Å; V643-F702 HydrophobicContact CG1-CD1 4.44Å; V643-F702 HydrophobicContact CG1-CE1 3.58Å; V643-F702 HydrophobicContact CG1-CZ 3.65Å; V643-M787 HydrophobicContact CB-CB 4.32Å; V643-M787 HydrophobicContact CG1-CB 3.82Å; V643-M787 HydrophobicContact CG1-SD 3.95Å; V643-M787 HydrophobicContact CG2-CB 3.76Å; V643-R788 HydrophobicContact CG2-CG 4.03Å; V643-Q791 HydrophobicContact CG2-CB 4.42Å; V643-Q791 HydrophobicContact CG2-CG 4.14Å
644F95.8Very high92.4Very high0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-67.7-39.8177.9179-118.6000112.1D640 Q641 E646 L647 A648 I665 W672 F673 F702 A705 L706 L709D640-F644 WeakPolarHBondContact O-CB 3.46Å; D640-F644 PolarHBondContact O-N 3.41Å; Q641-F644 CarbonylContact O-C 3.49Å; Q641-F644 WeakPolarHBondContact O-CA 3.4Å; Q641-F644 WeakPolarHBondContact O-CB 3.46Å; Q641-F644 PolarHBondContact O-N 3.02Å; F644-E646 VanDerWaalsContact C-N 3.32Å; F644-E646 PolarHBondContact O-N 2.88Å; F644-L647 PolarHBondContact O-N 2.72Å; F644-A648 WeakPolarHBondContact O-CB 3.33Å; F644-A648 PolarHBondContact O-N 2.91Å; F644-I665 HydrophobicContact CD1-CG2 4Å; F644-I665 HydrophobicContact CE1-CG2 4.01Å; F644-W672 HydrophobicContact CZ-CZ3 4.34Å; F644-F673 HydrophobicContact CB-CZ 3.98Å; F644-F673 HydrophobicContact CD2-CZ 4.29Å; F644-F673 HydrophobicContact CG-CE2 4.33Å; F644-F673 HydrophobicContact CG-CZ 4.11Å; F644-F702 HydrophobicContact CB-CD1 4.11Å; F644-F702 HydrophobicContact CB-CE1 3.95Å; F644-F702 HydrophobicContact CD2-CD1 4.33Å; F644-A705 HydrophobicContact CD2-CB 4.09Å; F644-A705 HydrophobicContact CE2-CB 3.37Å; F644-A705 HydrophobicContact CZ-CB 3.64Å; F644-L706 HydrophobicContact CD2-CD2 4.35Å; F644-L706 HydrophobicContact CD2-CG 4.48Å; F644-L706 HydrophobicContact CE2-CD2 3.88Å; F644-L706 HydrophobicContact CE2-CG 4.03Å; F644-L709 HydrophobicContact CE1-CD1 4.2Å; F644-L709 HydrophobicContact CE2-CD1 4.4Å; F644-L709 HydrophobicContact CZ-CD1 3.57Å; F644-L709 HydrophobicContact CZ-CG 4.12Å
645E93.4Very high92.6Very high32 Ų3231.3 Ų31.315%0.1515%0.149CC..Hα-helixtrans-60.8-39.1171.5-72.4168.8-172.200111.5Q641 R649 Y656 I665 S666Q641-E645 HydrophobicContact CG-CG 4.43Å; Q641-E645 WeakPolarHBondContact CG-OE1 3.49Å; Q641-E645 PolarHBondContact NE2-OE1 3.2Å; Q641-E645 WeakPolarHBondContact O-CG 3.35Å; Q641-E645 PolarHBondContact O-N 3.16Å; E645-R649 WeakPolarHBondContact O-CB 3.34Å; E645-R649 PolarHBondContact O-N 3.11Å; E645-R649 VanDerWaalsContact O-N 3.13Å; E645-Y656 HydrophobicContact CB-CE2 4.11Å; E645-Y656 HydrophobicContact CG-CE2 4.49Å; E645-Y656 WeakPolarHBondContact O-CE2 3.23Å; E645-I665 HydrophobicContact CG-CG2 3.66Å; E645-S666 PolarHBondContact OE1-OG 3.33Å
646E93.1Very high92.8Very high34 Ų3432 Ų3216%0.15915%0.152CC..Hα-helixtrans-71.3-40.1176.6-167.8156.5-152.100112.9G642 V643 F644 R649 E650 K790 Q791G642-E646 WeakPolarHBondContact O-CB 3.44Å; G642-E646 PolarHBondContact O-N 2.86Å; V643-E646 PolarHBondContact O-N 2.65Å; F644-E646 VanDerWaalsContact C-N 3.32Å; F644-E646 PolarHBondContact O-N 2.88Å; E646-R649 PolarHBondContact O-N 3.03Å; E646-E650 PolarHBondContact O-N 2.99Å; E646-E650 VanDerWaalsContact O-N 3.12Å; E646-K790 IonicContact OE1-NZ 3.52Å; E646-K790 PolarHBondContact OE1-NZ 2.91Å; E646-K790 IonicContact OE2-NZ 2.61Å; E646-Q791 PolarHBondContact OE2-NE2 2.83Å
647L94.9Very high92.8Very high1 Ų136 Ų361%0.00517%0.173CC..Hα-helixtrans-68.9-38173.2-71.4168.9000112.8V643 F644 R649 E650 Y651 F702 L706 I779 M787V643-L647 HydrophobicContact CG1-CD1 3.94Å; V643-L647 HydrophobicContact CG1-CG 4.4Å; V643-L647 WeakPolarHBondContact O-CB 3.21Å; V643-L647 WeakPolarHBondContact O-CG 3.35Å; V643-L647 PolarHBondContact O-N 3.43Å; F644-L647 PolarHBondContact O-N 2.72Å; L647-R649 VanDerWaalsContact C-N 3.31Å; L647-R649 PolarHBondContact O-N 2.69Å; L647-E650 PolarHBondContact O-N 3.2Å; L647-Y651 HydrophobicContact CD2-CD2 4.33Å; L647-Y651 HydrophobicContact CD2-CE2 3.99Å; L647-Y651 WeakPolarHBondContact O-CD2 3.42Å; L647-Y651 PolarHBondContact O-N 3.47Å; L647-F702 HydrophobicContact CD1-CB 4.31Å; L647-F702 HydrophobicContact CD1-CD1 3.63Å; L647-F702 HydrophobicContact CD1-CE1 4.13Å; L647-F702 HydrophobicContact CD1-CG 4.13Å; L647-L706 HydrophobicContact CB-CD1 4.2Å; L647-L706 HydrophobicContact CB-CD2 4.35Å; L647-I779 HydrophobicContact CD1-CD1 4.3Å; L647-I779 HydrophobicContact CD2-CD1 4.04Å; L647-I779 HydrophobicContact CD2-CG1 4.33Å; L647-M787 HydrophobicContact CD2-CE 3.99Å; L647-M787 HydrophobicContact CD2-SD 3.97Å; L647-M787 HydrophobicContact CG-SD 4.07Å
648A93.9Very high92.7Very high0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-63.4-40.517600000110.8F644 E650 V652 Y656 I665 L706F644-A648 WeakPolarHBondContact O-CB 3.33Å; F644-A648 PolarHBondContact O-N 2.91Å; A648-E650 VanDerWaalsContact C-N 3.34Å; A648-E650 PolarHBondContact O-N 2.62Å; A648-V652 HydrophobicContact CB-CG2 4.19Å; A648-V652 CarbonylContact O-C 3.46Å; A648-V652 VanDerWaalsContact O-C 3.23Å; A648-V652 WeakPolarHBondContact O-CA 3.34Å; A648-V652 WeakPolarHBondContact O-CG2 3.39Å; A648-V652 PolarHBondContact O-N 3.29Å; A648-Y656 HydrophobicContact CB-CD2 3.89Å; A648-I665 HydrophobicContact CB-CD1 4.4Å; A648-L706 HydrophobicContact CB-CD2 4.32Å
649R93.9Very high92.5Very high102 Ų10235.5 Ų35.539%0.38517%0.172SC..Hα-helixtrans-64.5-34.4173.2-163.8-175.9-54.7104.21.4113.1E645 E646 L647 P653 Y656E645-R649 WeakPolarHBondContact O-CB 3.34Å; E645-R649 PolarHBondContact O-N 3.11Å; E645-R649 VanDerWaalsContact O-N 3.13Å; E646-R649 PolarHBondContact O-N 3.03Å; L647-R649 VanDerWaalsContact C-N 3.31Å; L647-R649 PolarHBondContact O-N 2.69Å; R649-P653 WeakPolarHBondContact O-CB 3.39Å; R649-Y656 HydrophobicContact CB-CD1 3.72Å; R649-Y656 HydrophobicContact CB-CD2 4.22Å; R649-Y656 HydrophobicContact CB-CE1 4.11Å; R649-Y656 HydrophobicContact CB-CG 3.81Å; R649-Y656 HydrophobicContact CG-CD1 3.64Å; R649-Y656 HydrophobicContact CG-CE1 3.95Å; R649-Y656 HydrophobicContact CG-CG 4.24Å; R649-Y656 PolarHBondContact NH2-OH 3.11Å
650E92.7Very high92.3Very high113 Ų11338.1 Ų38.153%0.52819%0.185SC..Hα-helixtrans-73.7-46.2176.8-175.3-177.9178.900112.4E646 L647 A648E646-E650 PolarHBondContact O-N 2.99Å; E646-E650 VanDerWaalsContact O-N 3.12Å; L647-E650 PolarHBondContact O-N 3.2Å; A648-E650 VanDerWaalsContact C-N 3.34Å; A648-E650 PolarHBondContact O-N 2.62Å
651Y92.4Very high92Very high71 Ų7145 Ų4528%0.27822%0.221SC..Hα-helixtrans-98.9-23.8-168.8-73.8-94.2000115.1L647 F776 S778 I779L647-Y651 HydrophobicContact CD2-CD2 4.33Å; L647-Y651 HydrophobicContact CD2-CE2 3.99Å; L647-Y651 WeakPolarHBondContact O-CD2 3.42Å; L647-Y651 PolarHBondContact O-N 3.47Å; Y651-F776 AromaticContact CD1-CD1 3.61Å; Y651-F776 HydrophobicContact CD1-CD1 3.61Å; Y651-F776 AromaticContact CD1-CE1 3.81Å; Y651-F776 HydrophobicContact CD1-CE1 3.81Å; Y651-F776 HydrophobicContact CE1-CD1 4.12Å; Y651-F776 HydrophobicContact CG-CD1 4.08Å; Y651-F776 HydrophobicContact CG-CE1 4.11Å; Y651-S778 PolarHBondContact OH-OG 3.08Å; Y651-I779 HydrophobicContact CE2-CD1 4.28Å; Y651-I779 HydrophobicContact CE2-CG1 4.21Å
652V90.9Very high91.7Very high10 Ų1046 Ų466%0.06123%0.227CC..SBendtrans-13849.1179-66.70000112.7A648 Q654 L655 Y656 H710 I713A648-V652 HydrophobicContact CB-CG2 4.19Å; A648-V652 CarbonylContact O-C 3.46Å; A648-V652 VanDerWaalsContact O-C 3.23Å; A648-V652 WeakPolarHBondContact O-CA 3.34Å; A648-V652 WeakPolarHBondContact O-CG2 3.39Å; A648-V652 PolarHBondContact O-N 3.29Å; V652-Q654 PolarHBondContact O-N 3.14Å; V652-L655 HydrophobicContact CB-CB 4.31Å; V652-L655 WeakPolarHBondContact O-CB 3.49Å; V652-L655 PolarHBondContact O-N 3.07Å; V652-Y656 PolarHBondContact O-N 3.25Å; V652-H710 HydrophobicContact CG1-CB 4.3Å; V652-I713 HydrophobicContact CG1-CD1 4.19Å
653P92.3Very high91.3Very high63 Ų6347.1 Ų47.141%0.40924%0.239SC..Hα-helixtrans-50-49.5-167.215.3-30.6000115.4R649 L655 Y656 D657R649-P653 WeakPolarHBondContact O-CB 3.39Å; P653-L655 PolarHBondContact O-N 2.65Å; P653-Y656 WeakPolarHBondContact O-CA 3.49Å; P653-Y656 WeakPolarHBondContact O-CB 3.24Å; P653-Y656 PolarHBondContact O-N 3.47Å; P653-D657 PolarHBondContact O-N 3.23Å
654Q88.2Confident91Very high148 Ų14847.2 Ų47.269%0.69224%0.239SC*.Hα-helixtrans-59.8-34.8-179-66.3176.4-7.800112.9V652 L717V652-Q654 PolarHBondContact O-N 3.14Å; Q654-L717 WeakPolarHBondContact O-CD2 3.48Å
655L91.1Very high90.5Very high2 Ų247.2 Ų47.21%0.0124%0.239CC..Hα-helixtrans-78.5-37.1175.2178.365.2000111.3V652 P653 M659 L709 I713 L716 L717V652-L655 HydrophobicContact CB-CB 4.31Å; V652-L655 WeakPolarHBondContact O-CB 3.49Å; V652-L655 PolarHBondContact O-N 3.07Å; P653-L655 PolarHBondContact O-N 2.65Å; L655-M659 HydrophobicContact CD1-CG 3.68Å; L655-M659 HydrophobicContact CD1-SD 3.6Å; L655-M659 HydrophobicContact CD2-SD 4Å; L655-M659 HydrophobicContact CG-CG 4.1Å; L655-M659 HydrophobicContact CG-SD 3.65Å; L655-M659 WeakPolarHBondContact O-CB 3.17Å; L655-M659 WeakPolarHBondContact O-CG 3.21Å; L655-M659 PolarHBondContact O-N 3.2Å; L655-L709 HydrophobicContact CD2-CB 3.84Å; L655-L709 WeakPolarHBondContact CD2-O 3.34Å; L655-I713 HydrophobicContact CB-CG1 4.38Å; L655-I713 HydrophobicContact CD2-CG1 3.77Å; L655-L716 HydrophobicContact CD1-CB 3.43Å; L655-L716 VanDerWaalsContact CD1-CB 3.43Å; L655-L716 HydrophobicContact CD1-CD1 4.06Å; L655-L716 HydrophobicContact CD1-CG 4.4Å; L655-L716 HydrophobicContact CD2-CD1 4.14Å; L655-L717 HydrophobicContact CD1-CD2 4.45Å; L655-L717 HydrophobicContact CD1-CG 4.4Å
656Y91.8Very high90Very high17 Ų1747.2 Ų47.27%0.06724%0.243CC..Hα-helixtrans-57.1-51.3175.5169-92000111.2E645 A648 R649 V652 P653 C658 M659 Q660 I665E645-Y656 HydrophobicContact CB-CE2 4.11Å; E645-Y656 HydrophobicContact CG-CE2 4.49Å; E645-Y656 WeakPolarHBondContact O-CE2 3.23Å; A648-Y656 HydrophobicContact CB-CD2 3.89Å; R649-Y656 HydrophobicContact CB-CD1 3.72Å; R649-Y656 HydrophobicContact CB-CD2 4.22Å; R649-Y656 HydrophobicContact CB-CE1 4.11Å; R649-Y656 HydrophobicContact CB-CG 3.81Å; R649-Y656 HydrophobicContact CG-CD1 3.64Å; R649-Y656 HydrophobicContact CG-CE1 3.95Å; R649-Y656 HydrophobicContact CG-CG 4.24Å; R649-Y656 PolarHBondContact NH2-OH 3.11Å; V652-Y656 PolarHBondContact O-N 3.25Å; P653-Y656 WeakPolarHBondContact O-CA 3.49Å; P653-Y656 WeakPolarHBondContact O-CB 3.24Å; P653-Y656 PolarHBondContact O-N 3.47Å; Y656-C658 PolarHBondContact O-N 3.4Å; Y656-M659 PolarHBondContact O-N 3.1Å; Y656-Q660 HydrophobicContact CE1-CB 4.2Å; Y656-Q660 HydrophobicContact CE1-CG 4.35Å; Y656-Q660 HydrophobicContact CE2-CB 4.22Å; Y656-Q660 HydrophobicContact CE2-CG 4.44Å; Y656-Q660 WeakPolarHBondContact O-CB 3.32Å; Y656-Q660 PolarHBondContact O-N 3.08Å; Y656-Q660 WeakPolarHBondContact OH-CG 3.47Å; Y656-Q660 PolarHBondContact OH-OE1 2.94Å; Y656-I665 HydrophobicContact CD2-CD1 3.47Å; Y656-I665 VanDerWaalsContact CD2-CD1 3.47Å; Y656-I665 HydrophobicContact CE2-CD1 4Å; Y656-I665 HydrophobicContact CG-CD1 4.32Å
657D90.2Very high89.6Confident88 Ų8850 Ų5047%0.47126%0.262SS..Hα-helixtrans-58.8-50.6-177.9-60.5-33.1000110.6P653 M659 Q660 D661P653-D657 PolarHBondContact O-N 3.23Å; D657-M659 PolarHBondContact O-N 3.19Å; D657-Q660 PolarHBondContact O-N 2.75Å; D657-D661 PolarHBondContact O-N 2.99Å
658C89.5Confident89.3Confident31 Ų3150.1 Ų50.121%0.20926%0.263CS..Hα-helixtrans-58.2-48.8177.5172.30000113.5Y656 Q660 L662 L717Y656-C658 PolarHBondContact O-N 3.4Å; C658-Q660 VanDerWaalsContact C-N 3.29Å; C658-Q660 PolarHBondContact O-N 2.7Å; C658-L662 WeakPolarHBondContact O-CG 3.41Å; C658-L662 PolarHBondContact O-N 2.77Å; C658-L717 HydrophobicContact CB-CD2 3.89Å
659M88.1Confident89.1Confident1 Ų150.2 Ų50.21%0.00526%0.263CS..Hα-helixtrans-76.2-16.9179.9-65.4-178.669.400113.4L655 Y656 D657 G663 V664 I665 I668 L709 L716 L729L655-M659 HydrophobicContact CD1-CG 3.68Å; L655-M659 HydrophobicContact CD1-SD 3.6Å; L655-M659 HydrophobicContact CD2-SD 4Å; L655-M659 HydrophobicContact CG-CG 4.1Å; L655-M659 HydrophobicContact CG-SD 3.65Å; L655-M659 WeakPolarHBondContact O-CB 3.17Å; L655-M659 WeakPolarHBondContact O-CG 3.21Å; L655-M659 PolarHBondContact O-N 3.2Å; Y656-M659 PolarHBondContact O-N 3.1Å; D657-M659 PolarHBondContact O-N 3.19Å; M659-G663 PolarHBondContact O-N 3.09Å; M659-V664 HydrophobicContact CB-CB 4.48Å; M659-V664 HydrophobicContact CE-CB 4.03Å; M659-V664 HydrophobicContact CE-CG1 3.54Å; M659-V664 PolarHBondContact O-N 2.92Å; M659-I665 HydrophobicContact CB-CD1 3.84Å; M659-I665 HydrophobicContact CB-CG1 3.58Å; M659-I665 HydrophobicContact CE-CG1 4.1Å; M659-I665 HydrophobicContact SD-CG1 4.35Å; M659-I668 HydrophobicContact CE-CD1 3.85Å; M659-L709 HydrophobicContact CE-CD2 3.77Å; M659-L709 HydrophobicContact SD-CD2 3.82Å; M659-L716 HydrophobicContact CE-CD1 4.48Å; M659-L716 HydrophobicContact SD-CD1 3.95Å; M659-L729 HydrophobicContact CE-CD1 3.95Å
660Q89.1Confident88.9Confident56 Ų5647.6 Ų47.626%0.26226%0.257SS..Hα-helixtrans-77.5-41.7173.7-177.564.585.900111Y656 D657 C658 L662 G663Y656-Q660 HydrophobicContact CE1-CB 4.2Å; Y656-Q660 HydrophobicContact CE1-CG 4.35Å; Y656-Q660 HydrophobicContact CE2-CB 4.22Å; Y656-Q660 HydrophobicContact CE2-CG 4.44Å; Y656-Q660 WeakPolarHBondContact O-CB 3.32Å; Y656-Q660 PolarHBondContact O-N 3.08Å; Y656-Q660 WeakPolarHBondContact OH-CG 3.47Å; Y656-Q660 PolarHBondContact OH-OE1 2.94Å; D657-Q660 PolarHBondContact O-N 2.75Å; C658-Q660 VanDerWaalsContact C-N 3.29Å; C658-Q660 PolarHBondContact O-N 2.7Å; Q660-L662 VanDerWaalsContact C-N 3.26Å; Q660-L662 PolarHBondContact O-N 3Å; Q660-G663 PolarHBondContact O-N 3.13Å
661D87.7Confident88.7Confident147 Ų14744.5 Ų44.579%0.78625%0.248SC*.Hα-helixtrans-61.7-35.7172.9-73.5-18.7000111.5D657 G663D657-D661 PolarHBondContact O-N 2.99Å; D661-G663 VanDerWaalsContact C-N 3.32Å
662L87.7Confident88.8Confident44 Ų4441.5 Ų41.523%0.2324%0.236CC..THydrogen-bonded Turntrans-79.2-5.3172.6-63.3177.3000114.3C658 Q660 V664 C719C658-L662 WeakPolarHBondContact O-CG 3.41Å; C658-L662 PolarHBondContact O-N 2.77Å; Q660-L662 VanDerWaalsContact C-N 3.26Å; Q660-L662 PolarHBondContact O-N 3Å; L662-V664 HydrophobicContact CB-CG2 3.74Å; L662-V664 PolarHBondContact O-N 2.84Å; L662-V664 VanDerWaalsContact O-N 3.15Å; L662-C719 HydrophobicContact CD1-CB 4.44Å
663G86.3Confident88.9Confident30 Ų3041.1 Ų41.131%0.30923%0.233SC..THydrogen-bonded Turntrans67.28.2-177.800000115.9M659 Q660 D661 T667M659-G663 PolarHBondContact O-N 3.09Å; Q660-G663 PolarHBondContact O-N 3.13Å; D661-G663 VanDerWaalsContact C-N 3.32Å; G663-T667 PolarHBondContact O-OG1 2.85Å
664V87.5Confident88.9Confident1 Ų139.2 Ų39.21%0.00622%0.22CC..Hα-helixtrans-72.8-39.2-170178.50000112M659 L662 S666 T667 I668 D722 A725 M726 L729M659-V664 HydrophobicContact CB-CB 4.48Å; M659-V664 HydrophobicContact CE-CB 4.03Å; M659-V664 HydrophobicContact CE-CG1 3.54Å; M659-V664 PolarHBondContact O-N 2.92Å; L662-V664 HydrophobicContact CB-CG2 3.74Å; L662-V664 PolarHBondContact O-N 2.84Å; L662-V664 VanDerWaalsContact O-N 3.15Å; V664-S666 PolarHBondContact O-N 3.34Å; V664-T667 WeakPolarHBondContact O-CB 3.49Å; V664-T667 PolarHBondContact O-N 2.59Å; V664-I668 HydrophobicContact CG1-CD1 4.41Å; V664-I668 HydrophobicContact CG1-CG2 3.99Å; V664-I668 WeakPolarHBondContact O-CG1 3.41Å; V664-I668 PolarHBondContact O-N 3.17Å; V664-D722 HydrophobicContact CG2-CB 3.79Å; V664-A725 HydrophobicContact CG1-CB 4.34Å; V664-A725 HydrophobicContact CG2-CB 3.92Å; V664-M726 HydrophobicContact CG1-SD 4.12Å; V664-L729 HydrophobicContact CG1-CD1 4.22Å
665I86.1Confident89.1Confident0 Ų032.4 Ų32.40%019%0.188CC..Hα-helixtrans-58.5-48.8-176.2-65.5-176.3000111.6F644 E645 A648 Y656 M659 T667 I668 S669F644-I665 HydrophobicContact CD1-CG2 4Å; F644-I665 HydrophobicContact CE1-CG2 4.01Å; E645-I665 HydrophobicContact CG-CG2 3.66Å; A648-I665 HydrophobicContact CB-CD1 4.4Å; Y656-I665 HydrophobicContact CD2-CD1 3.47Å; Y656-I665 VanDerWaalsContact CD2-CD1 3.47Å; Y656-I665 HydrophobicContact CE2-CD1 4Å; Y656-I665 HydrophobicContact CG-CD1 4.32Å; M659-I665 HydrophobicContact CB-CD1 3.84Å; M659-I665 HydrophobicContact CB-CG1 3.58Å; M659-I665 HydrophobicContact CE-CG1 4.1Å; M659-I665 HydrophobicContact SD-CG1 4.35Å; I665-T667 PolarHBondContact O-N 2.91Å; I665-I668 WeakPolarHBondContact O-CG1 3.18Å; I665-I668 PolarHBondContact O-N 2.99Å; I665-S669 WeakPolarHBondContact O-CB 3.38Å; I665-S669 PolarHBondContact O-N 3.37Å; I665-S669 VanDerWaalsContact O-N 3.08Å; I665-S669 PolarHBondContact O-OG 3.41Å; I665-S669 VanDerWaalsContact O-OG 3.06Å
666S83.8Confident89.3Confident33 Ų3332.4 Ų32.423%0.23119%0.188CC..Hα-helixtrans-65.4-25.7179.2-50.70000112.7Q641 E645 V664 S669Q641-S666 PolarHBondContact NE2-OG 3.45Å; E645-S666 PolarHBondContact OE1-OG 3.33Å; V664-S666 PolarHBondContact O-N 3.34Å; S666-S669 PolarHBondContact O-OG 3.27Å
667T84.6Confident89.4Confident91 Ų9131.6 Ų31.656%0.55819%0.185SC*.Hα-helixtrans-80.3-44.5178.8-580000111.9G663 V664 I665G663-T667 PolarHBondContact O-OG1 2.85Å; V664-T667 WeakPolarHBondContact O-CB 3.49Å; V664-T667 PolarHBondContact O-N 2.59Å; I665-T667 PolarHBondContact O-N 2.91Å
668I88.5Confident89.4Confident5 Ų528 Ų283%0.02617%0.166CC..Hα-helixtrans-74.1-35-179.764-172.4000112.9M659 V664 I665 L670 S671 W672 L709 M726 L729M659-I668 HydrophobicContact CE-CD1 3.85Å; V664-I668 HydrophobicContact CG1-CD1 4.41Å; V664-I668 HydrophobicContact CG1-CG2 3.99Å; V664-I668 WeakPolarHBondContact O-CG1 3.41Å; V664-I668 PolarHBondContact O-N 3.17Å; I665-I668 WeakPolarHBondContact O-CG1 3.18Å; I665-I668 PolarHBondContact O-N 2.99Å; I668-L670 PolarHBondContact O-N 2.95Å; I668-S671 PolarHBondContact O-N 3.03Å; I668-W672 HydrophobicContact CB-CD2 4.3Å; I668-W672 HydrophobicContact CB-CZ2 4.12Å; I668-W672 HydrophobicContact CD1-CH2 3.71Å; I668-W672 HydrophobicContact CD1-CZ2 3.97Å; I668-W672 HydrophobicContact CD1-CZ3 4.05Å; I668-W672 HydrophobicContact CG1-CH2 4.39Å; I668-W672 HydrophobicContact CG1-CZ2 4.36Å; I668-W672 HydrophobicContact CG1-CZ3 4.47Å; I668-W672 VanDerWaalsContact O-CG 3.3Å; I668-W672 PolarHBondContact O-N 3.48Å; I668-L709 HydrophobicContact CD1-CD2 4.07Å; I668-M726 HydrophobicContact CG2-CE 4.19Å; I668-M726 HydrophobicContact CG2-SD 3.35Å; I668-M726 WeakPolarHBondContact CG2-SD 3.41Å; I668-L729 HydrophobicContact CD1-CD1 3.71Å; I668-L729 HydrophobicContact CG2-CD1 3.97Å
669S89.9Confident89.3Confident1 Ų128.1 Ų28.11%0.00717%0.167CC..Hα-helixtrans-59.7-47-171.852.80000112.8Q641 I665 S666 S671 W672 F673Q641-S669 VanDerWaalsContact CG-OG 3.24Å; Q641-S669 WeakPolarHBondContact CG-OG 3.24Å; I665-S669 WeakPolarHBondContact O-CB 3.38Å; I665-S669 PolarHBondContact O-N 3.37Å; I665-S669 VanDerWaalsContact O-N 3.08Å; I665-S669 PolarHBondContact O-OG 3.41Å; I665-S669 VanDerWaalsContact O-OG 3.06Å; S666-S669 PolarHBondContact O-OG 3.27Å; S669-S671 PolarHBondContact O-N 2.94Å; S669-W672 PolarHBondContact O-N 3.08Å; S669-F673 VanDerWaalsContact O-CB 3.26Å; S669-F673 WeakPolarHBondContact O-CB 3.12Å; S669-F673 WeakPolarHBondContact O-CD2 3.15Å; S669-F673 WeakPolarHBondContact O-CG 3.41Å; S669-F673 PolarHBondContact O-N 3.34Å
670L88.3Confident89.3Confident47 Ų4729.3 Ų29.325%0.24617%0.174CC..Hα-helixtrans-62.2-44-179.4-72.2171.4000111.7A637 L638 I668 F673 L674A637-L670 HydrophobicContact CB-CD2 3.96Å; L638-L670 HydrophobicContact CD2-CD1 4.13Å; L638-L670 HydrophobicContact CD2-CD2 4.06Å; L638-L670 HydrophobicContact CG-CD2 4.3Å; I668-L670 PolarHBondContact O-N 2.95Å; L670-F673 PolarHBondContact O-N 2.88Å; L670-L674 HydrophobicContact CB-CD1 4.46Å; L670-L674 VanDerWaalsContact O-CB 3.24Å; L670-L674 WeakPolarHBondContact O-CB 3.43Å; L670-L674 VanDerWaalsContact O-CG 3.32Å; L670-L674 WeakPolarHBondContact O-CG 3.43Å; L670-L674 PolarHBondContact O-N 3.09Å
671S88.4Confident89.3Confident49 Ų4926.8 Ų26.834%0.34316%0.162SC..Hα-helixtrans-61.2-49.7177.9-177.60000111.8I668 S669 F673 T675I668-S671 PolarHBondContact O-N 3.03Å; S669-S671 PolarHBondContact O-N 2.94Å; S671-F673 PolarHBondContact O-N 2.97Å; S671-T675 PolarHBondContact O-N 3.36Å; S671-T675 PolarHBondContact O-OG1 3.16Å
672W94Very high89.3Confident8 Ų821 Ų213%0.0313%0.133CC..Hα-helixtrans-64.4-39.1-179.6-65.82.6000112.5F644 I668 S669 L676 F677 V680 A705 V708 L709 L729 L733F644-W672 HydrophobicContact CZ-CZ3 4.34Å; I668-W672 HydrophobicContact CB-CD2 4.3Å; I668-W672 HydrophobicContact CB-CZ2 4.12Å; I668-W672 HydrophobicContact CD1-CH2 3.71Å; I668-W672 HydrophobicContact CD1-CZ2 3.97Å; I668-W672 HydrophobicContact CD1-CZ3 4.05Å; I668-W672 HydrophobicContact CG1-CH2 4.39Å; I668-W672 HydrophobicContact CG1-CZ2 4.36Å; I668-W672 HydrophobicContact CG1-CZ3 4.47Å; I668-W672 VanDerWaalsContact O-CG 3.3Å; I668-W672 PolarHBondContact O-N 3.48Å; S669-W672 PolarHBondContact O-N 3.08Å; W672-L676 WeakPolarHBondContact O-CA 3.35Å; W672-L676 PolarHBondContact O-N 3.19Å; W672-L676 VanDerWaalsContact O-N 3.16Å; W672-F677 HydrophobicContact CB-CD1 4.35Å; W672-F677 HydrophobicContact CB-CE1 4.02Å; W672-F677 HydrophobicContact CB-CE2 4.21Å; W672-F677 HydrophobicContact CB-CZ 3.95Å; W672-F677 HydrophobicContact CD2-CD1 4.36Å; W672-F677 AromaticContact CD2-CE1 3.49Å; W672-F677 HydrophobicContact CD2-CE1 3.49Å; W672-F677 VanDerWaalsContact CD2-CE1 3.49Å; W672-F677 AromaticContact CD2-CZ 3.78Å; W672-F677 HydrophobicContact CD2-CZ 3.78Å; W672-F677 AromaticContact CE3-CE1 3.69Å; W672-F677 HydrophobicContact CE3-CE1 3.69Å; W672-F677 AromaticContact CE3-CZ 3.57Å; W672-F677 HydrophobicContact CE3-CZ 3.57Å; W672-F677 HydrophobicContact CG-CD1 4.13Å; W672-F677 AromaticContact CG-CE1 3.67Å; W672-F677 HydrophobicContact CG-CE1 3.67Å; W672-F677 AromaticContact CG-CZ 3.99Å; W672-F677 HydrophobicContact CG-CZ 3.99Å; W672-F677 HydrophobicContact CZ3-CE1 4.33Å; W672-F677 HydrophobicContact CZ3-CZ 4.29Å; W672-F677 PolarHBondContact O-N 3.1Å; W672-V680 HydrophobicContact CG-CG2 4.49Å; W672-A705 HydrophobicContact CE3-CB 3.77Å; W672-A705 HydrophobicContact CZ3-CB 3.86Å; W672-V708 HydrophobicContact CH2-CB 4.18Å; W672-V708 HydrophobicContact CH2-CG1 3.66Å; W672-V708 HydrophobicContact CZ2-CG1 4.15Å; W672-V708 HydrophobicContact CZ3-CB 4.47Å; W672-V708 HydrophobicContact CZ3-CG1 4.41Å; W672-L709 HydrophobicContact CH2-CD2 4.16Å; W672-L729 HydrophobicContact CH2-CD1 4.48Å; W672-L729 HydrophobicContact CH2-CD2 4.23Å; W672-L729 HydrophobicContact CZ2-CD1 4.27Å; W672-L729 HydrophobicContact CZ2-CD2 4.35Å; W672-L733 HydrophobicContact CZ2-CD1 3.91Å
673F94.3Very high89.2Confident1 Ų120.1 Ų20.10%0.00413%0.128CC..Hα-helixtrans-85.5-38.8-172.6-78.2-126.4000113Y629 D640 F644 S669 L670 S671 T675 I698 I701 F702 A705Y629-F673 HydrophobicContact CE1-CB 4.25Å; D640-F673 HydrophobicContact CB-CD1 3.98Å; D640-F673 HydrophobicContact CB-CE1 4.09Å; F644-F673 HydrophobicContact CB-CZ 3.98Å; F644-F673 HydrophobicContact CD2-CZ 4.29Å; F644-F673 HydrophobicContact CG-CE2 4.33Å; F644-F673 HydrophobicContact CG-CZ 4.11Å; S669-F673 VanDerWaalsContact O-CB 3.26Å; S669-F673 WeakPolarHBondContact O-CB 3.12Å; S669-F673 WeakPolarHBondContact O-CD2 3.15Å; S669-F673 WeakPolarHBondContact O-CG 3.41Å; S669-F673 PolarHBondContact O-N 3.34Å; L670-F673 PolarHBondContact O-N 2.88Å; S671-F673 PolarHBondContact O-N 2.97Å; F673-T675 VanDerWaalsContact C-N 3.3Å; F673-T675 PolarHBondContact O-N 3.2Å; F673-I698 HydrophobicContact CD1-CD1 4.22Å; F673-I701 HydrophobicContact CD1-CG2 4.33Å; F673-I701 HydrophobicContact CD2-CG2 4.08Å; F673-I701 HydrophobicContact CE1-CG2 4.36Å; F673-I701 HydrophobicContact CE2-CG2 4.13Å; F673-I701 HydrophobicContact CG-CG2 4.19Å; F673-I701 HydrophobicContact CZ-CG2 4.26Å; F673-F702 AromaticContact CE1-CD1 3.86Å; F673-F702 HydrophobicContact CE1-CD1 3.86Å; F673-F702 HydrophobicContact CE1-CD2 4.36Å; F673-F702 AromaticContact CE1-CE1 3.6Å; F673-F702 HydrophobicContact CE1-CE1 3.6Å; F673-F702 HydrophobicContact CE1-CE2 4.14Å; F673-F702 HydrophobicContact CE1-CG 4.24Å; F673-F702 AromaticContact CE1-CZ 3.78Å; F673-F702 HydrophobicContact CE1-CZ 3.78Å; F673-F702 AromaticContact CZ-CD1 3.74Å; F673-F702 HydrophobicContact CZ-CD1 3.74Å; F673-F702 AromaticContact CZ-CE1 3.87Å; F673-F702 HydrophobicContact CZ-CE1 3.87Å; F673-F702 HydrophobicContact CZ-CG 4.23Å; F673-F702 HydrophobicContact CZ-CZ 4.47Å; F673-A705 HydrophobicContact CE2-CB 4.21Å
674L91.4Very high89.2Confident24 Ų2419.7 Ų19.713%0.12612%0.117CC..Hα-helixtrans-70.1-25.6176.7-71.9170000112.9A597 Y629 Y630 V634 A637 L670A597-L674 HydrophobicContact CB-CB 4.12Å; Y629-L674 HydrophobicContact CD1-CD2 4.42Å; Y630-L674 HydrophobicContact CD1-CD2 4.47Å; Y630-L674 HydrophobicContact CE1-CD2 4.31Å; Y630-L674 PolarHBondContact OH-O 2.85Å; V634-L674 HydrophobicContact CG1-CD2 4.37Å; A637-L674 HydrophobicContact CB-CD2 3.66Å; A637-L674 HydrophobicContact CB-CG 4.02Å; L670-L674 HydrophobicContact CB-CD1 4.46Å; L670-L674 VanDerWaalsContact O-CB 3.24Å; L670-L674 WeakPolarHBondContact O-CB 3.43Å; L670-L674 VanDerWaalsContact O-CG 3.32Å; L670-L674 WeakPolarHBondContact O-CG 3.43Å; L670-L674 PolarHBondContact O-N 3.09Å
675T92.8Very high89.4Confident5 Ų519.6 Ų19.63%0.03112%0.117CC..THydrogen-bonded Turntrans-105.1-2.8179.867.30000113.7A597 I600 S671 F673 F677 L678 S679A597-T675 HydrophobicContact CB-CG2 3.82Å; I600-T675 HydrophobicContact CD1-CG2 4.14Å; S671-T675 PolarHBondContact O-N 3.36Å; S671-T675 PolarHBondContact O-OG1 3.16Å; F673-T675 VanDerWaalsContact C-N 3.3Å; F673-T675 PolarHBondContact O-N 3.2Å; T675-F677 VanDerWaalsContact C-N 3.25Å; T675-F677 PolarHBondContact O-N 2.89Å; T675-L678 WeakPolarHBondContact O-CB 3.41Å; T675-L678 WeakPolarHBondContact O-CD1 3.42Å; T675-L678 WeakPolarHBondContact O-CG 3.37Å; T675-L678 PolarHBondContact O-N 3.23Å; T675-S679 WeakPolarHBondContact CG2-OG 3.5Å; T675-S679 PolarHBondContact OG1-OG 3.02Å
676L94.7Very high89.7Confident2 Ų219.6 Ų19.61%0.0112%0.117CC..THydrogen-bonded Turntrans51.944.7-171-58.2174.4000112.2L621 L626 W672 L678 F693 I701L621-L676 HydrophobicContact CD1-CD1 4.03Å; L626-L676 HydrophobicContact CD1-CD1 4.47Å; L626-L676 HydrophobicContact CD1-CD2 4.18Å; W672-L676 WeakPolarHBondContact O-CA 3.35Å; W672-L676 PolarHBondContact O-N 3.19Å; W672-L676 VanDerWaalsContact O-N 3.16Å; L676-L678 PolarHBondContact O-N 3.08Å; L676-F693 HydrophobicContact CD1-CD1 3.64Å; L676-F693 HydrophobicContact CD1-CD2 4.4Å; L676-F693 HydrophobicContact CD1-CE1 3.68Å; L676-F693 HydrophobicContact CD1-CE2 4.43Å; L676-F693 HydrophobicContact CD1-CG 4.02Å; L676-F693 HydrophobicContact CD1-CZ 4.08Å; L676-F693 HydrophobicContact CD2-CD2 3.89Å; L676-F693 HydrophobicContact CD2-CE2 3.95Å; L676-F693 HydrophobicContact CD2-CG 4.22Å; L676-F693 HydrophobicContact CD2-CZ 4.33Å; L676-I701 HydrophobicContact CB-CD1 4.49Å; L676-I701 HydrophobicContact CD2-CD1 3.91Å; L676-I701 HydrophobicContact CD2-CG1 3.85Å
677F93.9Very high90.2Very high0 Ų018.1 Ų18.10%011%0.106CC..THydrogen-bonded Turntrans62.4-0.4-171-70.4-96.5000116.9W672 T675 S679 V680 M681 V689 I701 L704 A705 L733W672-F677 HydrophobicContact CB-CD1 4.35Å; W672-F677 HydrophobicContact CB-CE1 4.02Å; W672-F677 HydrophobicContact CB-CE2 4.21Å; W672-F677 HydrophobicContact CB-CZ 3.95Å; W672-F677 HydrophobicContact CD2-CD1 4.36Å; W672-F677 AromaticContact CD2-CE1 3.49Å; W672-F677 HydrophobicContact CD2-CE1 3.49Å; W672-F677 VanDerWaalsContact CD2-CE1 3.49Å; W672-F677 AromaticContact CD2-CZ 3.78Å; W672-F677 HydrophobicContact CD2-CZ 3.78Å; W672-F677 AromaticContact CE3-CE1 3.69Å; W672-F677 HydrophobicContact CE3-CE1 3.69Å; W672-F677 AromaticContact CE3-CZ 3.57Å; W672-F677 HydrophobicContact CE3-CZ 3.57Å; W672-F677 HydrophobicContact CG-CD1 4.13Å; W672-F677 AromaticContact CG-CE1 3.67Å; W672-F677 HydrophobicContact CG-CE1 3.67Å; W672-F677 AromaticContact CG-CZ 3.99Å; W672-F677 HydrophobicContact CG-CZ 3.99Å; W672-F677 HydrophobicContact CZ3-CE1 4.33Å; W672-F677 HydrophobicContact CZ3-CZ 4.29Å; W672-F677 PolarHBondContact O-N 3.1Å; T675-F677 VanDerWaalsContact C-N 3.25Å; T675-F677 PolarHBondContact O-N 2.89Å; F677-S679 PolarHBondContact O-N 3.24Å; F677-V680 HydrophobicContact CB-CG2 4.07Å; F677-V680 HydrophobicContact CD1-CG2 3.67Å; F677-V680 HydrophobicContact CG-CG2 4.25Å; F677-V680 WeakPolarHBondContact O-CG2 3.37Å; F677-V680 PolarHBondContact O-N 2.67Å; F677-M681 HydrophobicContact CB-CG 4.39Å; F677-M681 HydrophobicContact CB-SD 3.7Å; F677-M681 HydrophobicContact CG-SD 4.4Å; F677-M681 PolarHBondContact O-N 2.8Å; F677-V689 HydrophobicContact CD2-CG1 4.45Å; F677-I701 HydrophobicContact CD2-CG2 4.27Å; F677-I701 HydrophobicContact CE2-CG2 3.86Å; F677-L704 HydrophobicContact CD2-CD2 3.88Å; F677-L704 HydrophobicContact CE2-CB 4.41Å; F677-L704 HydrophobicContact CE2-CD2 3.87Å; F677-L704 HydrophobicContact CE2-CG 4.19Å; F677-L704 HydrophobicContact CG-CD2 4.3Å; F677-L704 HydrophobicContact CZ-CD2 4.3Å; F677-L704 HydrophobicContact CZ-CG 4.26Å; F677-A705 HydrophobicContact CZ-CB 4Å; F677-L733 HydrophobicContact CD1-CD2 4.39Å; F677-L733 HydrophobicContact CE1-CD2 4.37Å
678L91.1Very high90.7Very high11 Ų1113.9 Ų13.96%0.0588%0.081CC..THydrogen-bonded Turntrans-61-19.6-175.1-66.1172.1000115.3I600 V601 V604 T675 L676 A686 V690I600-L678 HydrophobicContact CG2-CB 3.88Å; V601-L678 HydrophobicContact CG2-CD1 4.22Å; V604-L678 HydrophobicContact CB-CD1 4.09Å; V604-L678 HydrophobicContact CG1-CD2 4.31Å; V604-L678 HydrophobicContact CG2-CD1 3.7Å; V604-L678 HydrophobicContact CG2-CD2 3.86Å; V604-L678 HydrophobicContact CG2-CG 4.31Å; T675-L678 WeakPolarHBondContact O-CB 3.41Å; T675-L678 WeakPolarHBondContact O-CD1 3.42Å; T675-L678 WeakPolarHBondContact O-CG 3.37Å; T675-L678 PolarHBondContact O-N 3.23Å; L676-L678 PolarHBondContact O-N 3.08Å; L678-A686 HydrophobicContact CD2-CB 3.67Å; L678-V690 HydrophobicContact CD1-CG2 4.39Å; L678-V690 HydrophobicContact CD2-CG2 3.81Å; L678-V690 HydrophobicContact CG-CG2 4.21Å
679S88.2Confident91.1Very high35 Ų3513.7 Ų13.725%0.2458%0.08CC..THydrogen-bonded Turntrans-10811.9-179.778.40000114.8T675 F677T675-S679 WeakPolarHBondContact CG2-OG 3.5Å; T675-S679 PolarHBondContact OG1-OG 3.02Å; F677-S679 PolarHBondContact O-N 3.24Å
680V87.6Confident91.4Very high25 Ų2513.9 Ų13.915%0.1528%0.081CC..THydrogen-bonded Turntrans-137.8-0.6-173.9-64.60000114.2W672 F677 L733W672-V680 HydrophobicContact CG-CG2 4.49Å; F677-V680 HydrophobicContact CB-CG2 4.07Å; F677-V680 HydrophobicContact CD1-CG2 3.67Å; F677-V680 HydrophobicContact CG-CG2 4.25Å; F677-V680 WeakPolarHBondContact O-CG2 3.37Å; F677-V680 PolarHBondContact O-N 2.67Å; V680-L733 HydrophobicContact CB-CD1 4.14Å; V680-L733 HydrophobicContact CG2-CD1 4.14Å; V680-L733 WeakPolarHBondContact O-CB 3.17Å
681M87.9Confident91.8Very high3 Ų311.7 Ų11.72%0.0157%0.069CC..SBendtrans-145.3160.8176.879.4-169.6-46.600110.4F677 F683 A686 V689 L733 V736 I765F677-M681 HydrophobicContact CB-CG 4.39Å; F677-M681 HydrophobicContact CB-SD 3.7Å; F677-M681 HydrophobicContact CG-SD 4.4Å; F677-M681 PolarHBondContact O-N 2.8Å; M681-F683 PolarHBondContact O-N 2.89Å; M681-A686 HydrophobicContact CG-CB 3.62Å; M681-A686 HydrophobicContact SD-CB 4.03Å; M681-V689 HydrophobicContact SD-CG2 3.91Å; M681-L733 HydrophobicContact CB-CB 4.27Å; M681-V736 HydrophobicContact CE-CB 3.9Å; M681-V736 HydrophobicContact CE-CG1 3.63Å; M681-V736 HydrophobicContact CE-CG2 4.36Å; M681-I765 HydrophobicContact CE-CD1 3.88Å
682P87.3Confident92.2Very high27 Ų279.4 Ų9.418%0.1755%0.053CC..  trans-54.8132.5-179.6-27.836.4000112.3E684 S685 A686 L733 D734 V736P682-E684 VanDerWaalsContact C-N 3.27Å; P682-E684 PolarHBondContact O-N 2.82Å; P682-E684 VanDerWaalsContact O-N 3.12Å; P682-S685 WeakPolarHBondContact O-CA 3.47Å; P682-S685 WeakPolarHBondContact O-CB 3.43Å; P682-S685 PolarHBondContact O-N 3.48Å; P682-A686 PolarHBondContact O-N 3.06Å; P682-L733 WeakPolarHBondContact CD-O 3.39Å; P682-D734 WeakPolarHBondContact CG-O 3.29Å; P682-V736 WeakPolarHBondContact CG-O 3.38Å
683F86.3Confident92.3Very high25 Ų259 Ų911%0.115%0.052CC..Hα-helixtrans-48-45.4-173.7167.9-104.8000113.4V604 L607 Y608 M681 S685 A686 V687V604-F683 HydrophobicContact CG1-CE2 4.19Å; V604-F683 HydrophobicContact CG2-CD2 4.42Å; V604-F683 HydrophobicContact CG2-CE2 3.99Å; L607-F683 HydrophobicContact CD1-CE1 4.38Å; L607-F683 HydrophobicContact CD1-CE2 3.72Å; L607-F683 HydrophobicContact CD1-CZ 3.44Å; L607-F683 VanDerWaalsContact CD1-CZ 3.44Å; Y608-F683 AromaticContact CE2-CZ 3.89Å; Y608-F683 HydrophobicContact CE2-CZ 3.89Å; Y608-F683 WeakPolarHBondContact OH-CZ 3.31Å; M681-F683 PolarHBondContact O-N 2.89Å; F683-S685 PolarHBondContact O-N 2.95Å; F683-A686 PolarHBondContact O-N 2.99Å; F683-A686 VanDerWaalsContact O-N 3.1Å; F683-V687 HydrophobicContact CD2-CG2 3.9Å; F683-V687 HydrophobicContact CE1-CG2 4.26Å; F683-V687 HydrophobicContact CE2-CG2 3.46Å; F683-V687 VanDerWaalsContact CE2-CG2 3.46Å; F683-V687 HydrophobicContact CG-CG2 4.46Å; F683-V687 HydrophobicContact CZ-CG2 3.67Å; F683-V687 WeakPolarHBondContact O-CG2 3.41Å; F683-V687 PolarHBondContact O-N 3.13Å
684E87.1Confident92.4Very high20 Ų209 Ų99%0.0935%0.052CC..Hα-helixtrans-60.7-26.9178.8-61-55.9142.100114.4P682 N738 S741 L743P682-E684 VanDerWaalsContact C-N 3.27Å; P682-E684 PolarHBondContact O-N 2.82Å; P682-E684 VanDerWaalsContact O-N 3.12Å; E684-N738 HydrophobicContact CB-CB 3.89Å; E684-N738 WeakPolarHBondContact O-CB 3.4Å; E684-N738 PolarHBondContact O-ND2 2.89Å; E684-S741 VanDerWaalsContact OE2-CB 3.26Å; E684-S741 WeakPolarHBondContact OE2-CB 3.37Å; E684-S741 PolarHBondContact OE2-OG 3.35Å; E684-L743 WeakPolarHBondContact OE1-CB 3.15Å; E684-L743 WeakPolarHBondContact OE1-CD1 3.44Å
685S92.1Very high92.6Very high0 Ų09.3 Ų9.30%05%0.052CC..Hα-helixtrans-87-40.8173.8-60.70000110.8P682 F683 V687 V688 V689 V736 T737 N738P682-S685 WeakPolarHBondContact O-CA 3.47Å; P682-S685 WeakPolarHBondContact O-CB 3.43Å; P682-S685 PolarHBondContact O-N 3.48Å; F683-S685 PolarHBondContact O-N 2.95Å; S685-V687 VanDerWaalsContact C-N 3.32Å; S685-V687 PolarHBondContact O-N 3.34Å; S685-V688 WeakPolarHBondContact O-CB 3.45Å; S685-V688 PolarHBondContact O-N 3.42Å; S685-V688 VanDerWaalsContact O-N 3.1Å; S685-V689 PolarHBondContact O-N 2.71Å; S685-V736 WeakPolarHBondContact CB-O 3.44Å; S685-V736 PolarHBondContact OG-O 3.27Å; S685-T737 WeakPolarHBondContact OG-CA 3.36Å; S685-N738 PolarHBondContact OG-N 3.35Å
686A92.4Very high92.5Very high0 Ų010.6 Ų10.60%06%0.058CC..Hα-helixtrans-62.2-37.4179.800000112.4L678 M681 P682 F683 V688 V689 V690L678-A686 HydrophobicContact CD2-CB 3.67Å; M681-A686 HydrophobicContact CG-CB 3.62Å; M681-A686 HydrophobicContact SD-CB 4.03Å; P682-A686 PolarHBondContact O-N 3.06Å; F683-A686 PolarHBondContact O-N 2.99Å; F683-A686 VanDerWaalsContact O-N 3.1Å; A686-V688 VanDerWaalsContact C-N 3.26Å; A686-V688 PolarHBondContact O-N 3.33Å; A686-V689 WeakPolarHBondContact O-CA 3.39Å; A686-V689 VanDerWaalsContact O-CB 3.29Å; A686-V689 WeakPolarHBondContact O-CB 3.45Å; A686-V689 PolarHBondContact O-N 2.75Å; A686-V690 PolarHBondContact O-N 2.99Å
687V93Very high92.4Very high1 Ų111 Ų111%0.0066%0.062CC..Hα-helixtrans-62.7-30.1175.3174.30000112.5W520 V604 Y608 F683 S685 V689 V690 D691W520-V687 HydrophobicContact CH2-CG1 4.29Å; W520-V687 HydrophobicContact CZ2-CG1 4.04Å; V604-V687 HydrophobicContact CG1-CG2 4.12Å; Y608-V687 HydrophobicContact CE2-CG1 3.78Å; Y608-V687 HydrophobicContact CE2-CG2 3.81Å; F683-V687 HydrophobicContact CD2-CG2 3.9Å; F683-V687 HydrophobicContact CE1-CG2 4.26Å; F683-V687 HydrophobicContact CE2-CG2 3.46Å; F683-V687 VanDerWaalsContact CE2-CG2 3.46Å; F683-V687 HydrophobicContact CG-CG2 4.46Å; F683-V687 HydrophobicContact CZ-CG2 3.67Å; F683-V687 WeakPolarHBondContact O-CG2 3.41Å; F683-V687 PolarHBondContact O-N 3.13Å; S685-V687 VanDerWaalsContact C-N 3.32Å; S685-V687 PolarHBondContact O-N 3.34Å; V687-V689 VanDerWaalsContact C-N 3.34Å; V687-V690 PolarHBondContact O-N 2.69Å; V687-D691 PolarHBondContact O-N 2.98Å
688V94.9Very high92.4Very high3 Ų311.7 Ų11.72%0.0187%0.066CC..Hα-helixtrans-71.7-30.2173.4179.40000111.5S685 A686 C692 I765 F766S685-V688 WeakPolarHBondContact O-CB 3.45Å; S685-V688 PolarHBondContact O-N 3.42Å; S685-V688 VanDerWaalsContact O-N 3.1Å; A686-V688 VanDerWaalsContact C-N 3.26Å; A686-V688 PolarHBondContact O-N 3.33Å; V688-C692 PolarHBondContact O-N 2.98Å; V688-C692 PolarHBondContact O-SG 3.47Å; V688-I765 HydrophobicContact CB-CG1 4.01Å; V688-I765 HydrophobicContact CG1-CG1 4.12Å; V688-I765 HydrophobicContact CG2-CG2 4.33Å; V688-F766 HydrophobicContact CB-CE1 4.48Å; V688-F766 HydrophobicContact CG1-CD1 4.01Å; V688-F766 HydrophobicContact CG1-CE1 3.53Å; V688-F766 HydrophobicContact CG1-CZ 4.15Å; V688-F766 HydrophobicContact CG2-CE1 4.06Å; V688-F766 HydrophobicContact CG2-CZ 3.83Å
689V96.6Very high92.5Very high1 Ų113 Ų131%0.0067%0.071CC..Hα-helixtrans-67.2-41169.9-174.60000110.2F677 M681 S685 A686 V687 C692 F693 I701 L704 I765F677-V689 HydrophobicContact CD2-CG1 4.45Å; M681-V689 HydrophobicContact SD-CG2 3.91Å; S685-V689 PolarHBondContact O-N 2.71Å; A686-V689 WeakPolarHBondContact O-CA 3.39Å; A686-V689 VanDerWaalsContact O-CB 3.29Å; A686-V689 WeakPolarHBondContact O-CB 3.45Å; A686-V689 PolarHBondContact O-N 2.75Å; V687-V689 VanDerWaalsContact C-N 3.34Å; V689-C692 PolarHBondContact O-N 3.2Å; V689-F693 WeakPolarHBondContact O-CB 3.19Å; V689-F693 PolarHBondContact O-N 2.98Å; V689-I701 HydrophobicContact CG1-CD1 3.6Å; V689-L704 HydrophobicContact CB-CD2 4.22Å; V689-L704 HydrophobicContact CG1-CD2 3.58Å; V689-L704 HydrophobicContact CG2-CD2 3.51Å; V689-I765 HydrophobicContact CG2-CD1 4.1Å
690V96.7Very high92.8Very high5 Ų511.4 Ų11.43%0.036%0.06CC..Hα-helixtrans-65.7-41.3175.9176.10000112.3W520 L678 A686 V687 C692 F693 F694W520-V690 HydrophobicContact CD2-CG1 4.48Å; W520-V690 HydrophobicContact CH2-CG1 3.77Å; W520-V690 HydrophobicContact CZ2-CB 4.21Å; W520-V690 HydrophobicContact CZ2-CG1 3.59Å; W520-V690 HydrophobicContact CZ3-CG1 4.29Å; L678-V690 HydrophobicContact CD1-CG2 4.39Å; L678-V690 HydrophobicContact CD2-CG2 3.81Å; L678-V690 HydrophobicContact CG-CG2 4.21Å; A686-V690 PolarHBondContact O-N 2.99Å; V687-V690 PolarHBondContact O-N 2.69Å; V690-C692 VanDerWaalsContact C-N 3.29Å; V690-C692 PolarHBondContact O-N 2.97Å; V690-F693 PolarHBondContact O-N 2.96Å; V690-F694 HydrophobicContact CG1-CD2 3.56Å; V690-F694 HydrophobicContact CG1-CE2 3.48Å; V690-F694 VanDerWaalsContact CG1-CE2 3.48Å; V690-F694 WeakPolarHBondContact O-CD2 3.33Å; V690-F694 PolarHBondContact O-N 2.84Å
691D96.9Very high93.2Very high0 Ų010.2 Ų10.20%05%0.053CC..Hα-helixtrans-52.3-48.2170.2-79.6-14.5000111V507 I511 R516 W520 V687 Y695V507-D691 HydrophobicContact CG1-CB 4.35Å; V507-D691 WeakPolarHBondContact CG1-O 3.4Å; I511-D691 WeakPolarHBondContact CB-OD2 3.44Å; I511-D691 HydrophobicContact CD1-CB 3.96Å; I511-D691 HydrophobicContact CG1-CB 4.16Å; I511-D691 PolarHBondContact N-OD2 3.36Å; R516-D691 WeakPolarHBondContact CD-OD1 3.02Å; R516-D691 IonicContact NE-OD1 3.52Å; R516-D691 PolarHBondContact NE-OD1 3.23Å; R516-D691 IonicContact NE-OD2 2.66Å; R516-D691 PolarHBondContact NE-OD2 2.98Å; W520-D691 PolarHBondContact NE1-OD1 2.93Å; V687-D691 PolarHBondContact O-N 2.98Å; D691-Y695 PolarHBondContact O-N 2.93Å
692C96.9Very high93.6Very high2 Ų210.1 Ų10.11%0.0145%0.052CC..Hα-helixtrans-70.3-37179.7-640000112.7V688 V689 V690 Y695 D696 V700V688-C692 PolarHBondContact O-N 2.98Å; V688-C692 PolarHBondContact O-SG 3.47Å; V689-C692 PolarHBondContact O-N 3.2Å; V690-C692 VanDerWaalsContact C-N 3.29Å; V690-C692 PolarHBondContact O-N 2.97Å; C692-Y695 PolarHBondContact O-N 2.65Å; C692-D696 PolarHBondContact O-N 2.64Å; C692-V700 HydrophobicContact CB-CG1 4.15Å; C692-V700 HydrophobicContact CB-CG2 4.04Å
693F96.9Very high94Very high0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-65.3-44.6176.6167-96.5000111.5L621 M625 L626 L676 V689 V690 Y695 G697 I698 V700 I701L621-F693 HydrophobicContact CD1-CE1 4.09Å; M625-F693 HydrophobicContact CB-CZ 3.91Å; M625-F693 HydrophobicContact CE-CD1 4.28Å; M625-F693 HydrophobicContact CE-CE1 3.77Å; M625-F693 HydrophobicContact CE-CE2 4.33Å; M625-F693 HydrophobicContact CE-CZ 3.8Å; M625-F693 WeakPolarHBondContact CE-O 3.44Å; M625-F693 HydrophobicContact SD-CE1 4.22Å; M625-F693 HydrophobicContact SD-CZ 4.42Å; L626-F693 HydrophobicContact CD1-CE2 4.39Å; L626-F693 HydrophobicContact CD1-CZ 3.93Å; L626-F693 HydrophobicContact CD2-CE2 3.84Å; L626-F693 HydrophobicContact CD2-CZ 3.99Å; L626-F693 HydrophobicContact CG-CE2 4.21Å; L626-F693 HydrophobicContact CG-CZ 3.83Å; L676-F693 HydrophobicContact CD1-CD1 3.64Å; L676-F693 HydrophobicContact CD1-CD2 4.4Å; L676-F693 HydrophobicContact CD1-CE1 3.68Å; L676-F693 HydrophobicContact CD1-CE2 4.43Å; L676-F693 HydrophobicContact CD1-CG 4.02Å; L676-F693 HydrophobicContact CD1-CZ 4.08Å; L676-F693 HydrophobicContact CD2-CD2 3.89Å; L676-F693 HydrophobicContact CD2-CE2 3.95Å; L676-F693 HydrophobicContact CD2-CG 4.22Å; L676-F693 HydrophobicContact CD2-CZ 4.33Å; V689-F693 WeakPolarHBondContact O-CB 3.19Å; V689-F693 PolarHBondContact O-N 2.98Å; V690-F693 PolarHBondContact O-N 2.96Å; F693-Y695 PolarHBondContact O-N 3.07Å; F693-G697 WeakPolarHBondContact O-CA 3.36Å; F693-G697 PolarHBondContact O-N 2.91Å; F693-I698 HydrophobicContact CE2-CB 4.37Å; F693-V700 HydrophobicContact CB-CG1 4.23Å; F693-I701 HydrophobicContact CB-CD1 4.36Å; F693-I701 HydrophobicContact CD2-CD1 4.45Å; F693-I701 HydrophobicContact CD2-CG1 4.1Å
694F96.5Very high94.5Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-64-31.3176.6-83-56.5000112.3R297 W520 F523 L605 L617 L621 M625 V690R297-F694 PolarHBondContact NH1-O 2.8Å; W520-F694 HydrophobicContact CB-CB 4.48Å; W520-F694 HydrophobicContact CB-CD2 3.7Å; W520-F694 HydrophobicContact CB-CE2 3.97Å; W520-F694 HydrophobicContact CB-CG 4Å; W520-F694 HydrophobicContact CB-CZ 4.5Å; W520-F694 AromaticContact CD1-CD2 3.6Å; W520-F694 AromaticContact CD2-CD2 3.52Å; W520-F694 HydrophobicContact CD2-CD2 3.52Å; W520-F694 AromaticContact CD2-CE2 3.6Å; W520-F694 HydrophobicContact CD2-CE2 3.6Å; W520-F694 AromaticContact CE2-CD2 3.88Å; W520-F694 HydrophobicContact CE3-CD2 4.14Å; W520-F694 AromaticContact CE3-CE2 3.71Å; W520-F694 HydrophobicContact CE3-CE2 3.71Å; W520-F694 HydrophobicContact CG-CB 4.34Å; W520-F694 AromaticContact CG-CD2 3.31Å; W520-F694 HydrophobicContact CG-CD2 3.31Å; W520-F694 AromaticContact CG-CE2 3.75Å; W520-F694 HydrophobicContact CG-CE2 3.75Å; W520-F694 AromaticContact CG-CG 3.97Å; W520-F694 HydrophobicContact CG-CG 3.97Å; W520-F694 HydrophobicContact CZ3-CE2 4.38Å; W520-F694 AromaticContact NE1-CD2 3.93Å; F523-F694 CarbonylContact C-O 3.23Å; F523-F694 WeakPolarHBondContact CB-O 3.49Å; L605-F694 HydrophobicContact CD2-CE2 3.9Å; L605-F694 HydrophobicContact CD2-CZ 3.78Å; L617-F694 HydrophobicContact CD2-CE1 4.05Å; L617-F694 HydrophobicContact CD2-CZ 4.08Å; L621-F694 HydrophobicContact CD1-CZ 4.36Å; M625-F694 HydrophobicContact CE-CD1 4.32Å; M625-F694 HydrophobicContact SD-CD1 3.93Å; M625-F694 HydrophobicContact SD-CE1 4.18Å; V690-F694 HydrophobicContact CG1-CD2 3.56Å; V690-F694 HydrophobicContact CG1-CE2 3.48Å; V690-F694 VanDerWaalsContact CG1-CE2 3.48Å; V690-F694 WeakPolarHBondContact O-CD2 3.33Å; V690-F694 PolarHBondContact O-N 2.84Å
695Y94.3Very high95Very high31 Ų316.9 Ų6.912%0.1224%0.035CC..Hα-helixtrans-77.9-60.2174-169.8-93.2000113.6R297 T500 T503 K504 V507 F523 D691 C692 F693R297-Y695 VanDerWaalsContact CZ-O 3.27Å; R297-Y695 PolarHBondContact NH1-O 3.13Å; R297-Y695 PolarHBondContact NH2-O 3.15Å; T500-Y695 PolarHBondContact O-OH 3.38Å; T503-Y695 HydrophobicContact CG2-CE2 3.7Å; K504-Y695 HydrophobicContact CB-CD1 4.4Å; K504-Y695 HydrophobicContact CB-CE1 3.59Å; K504-Y695 HydrophobicContact CD-CE1 4.04Å; K504-Y695 HydrophobicContact CG-CE1 4.01Å; V507-Y695 HydrophobicContact CB-CG 4.38Å; V507-Y695 HydrophobicContact CG1-CG 4.43Å; V507-Y695 HydrophobicContact CG2-CD2 3.79Å; V507-Y695 HydrophobicContact CG2-CE2 4.5Å; V507-Y695 HydrophobicContact CG2-CG 3.88Å; F523-Y695 AromaticContact CD1-CD2 3.79Å; F523-Y695 HydrophobicContact CD1-CD2 3.79Å; F523-Y695 HydrophobicContact CD1-CE2 4.16Å; F523-Y695 AromaticContact CD2-CD2 3.9Å; F523-Y695 HydrophobicContact CD2-CD2 3.9Å; F523-Y695 AromaticContact CE1-CD2 3.75Å; F523-Y695 HydrophobicContact CE1-CD2 3.75Å; F523-Y695 AromaticContact CE1-CE2 3.85Å; F523-Y695 HydrophobicContact CE1-CE2 3.85Å; F523-Y695 AromaticContact CE2-CD2 3.85Å; F523-Y695 HydrophobicContact CE2-CD2 3.85Å; F523-Y695 AromaticContact CG-CD2 3.89Å; F523-Y695 HydrophobicContact CG-CD2 3.89Å; F523-Y695 AromaticContact CZ-CD2 3.78Å; F523-Y695 HydrophobicContact CZ-CD2 3.78Å; F523-Y695 HydrophobicContact CZ-CE2 4.1Å; D691-Y695 PolarHBondContact O-N 2.93Å; C692-Y695 PolarHBondContact O-N 2.65Å; F693-Y695 PolarHBondContact O-N 3.07Å
696D91.3Very high95.1Very high32 Ų326.9 Ų6.917%0.1714%0.035CC..Hα-helixtrans-100.4-8.8-167.7-114.843.5000114.3C692 K699 Y773C692-D696 PolarHBondContact O-N 2.64Å; D696-K699 WeakPolarHBondContact OD2-CE 3.41Å; D696-K699 IonicContact OD2-NZ 2.75Å; D696-K699 PolarHBondContact OD2-NZ 3.08Å; D696-Y773 WeakPolarHBondContact CB-OH 3.18Å; D696-Y773 WeakPolarHBondContact OD2-CE1 3.41Å
697G92.9Very high95.3Very high9 Ų97 Ų79%0.0934%0.037CC..  trans81.2-173.2179.200000114.4F693 K699 V700F693-G697 WeakPolarHBondContact O-CA 3.36Å; F693-G697 PolarHBondContact O-N 2.91Å; G697-K699 PolarHBondContact O-N 2.84Å; G697-V700 WeakPolarHBondContact O-CG1 3.38Å; G697-V700 PolarHBondContact O-N 2.69Å; G697-V700 VanDerWaalsContact O-N 3.12Å
698I92.6Very high95.4Very high16 Ų167 Ų78%0.0824%0.036CC..THydrogen-bonded Turntrans-49.9-26.2-176.8-173.361.3000114.8L626 Y629 F673 F693 V700 I701 F702L626-I698 HydrophobicContact CD2-CB 4.18Å; L626-I698 HydrophobicContact CD2-CD1 3.82Å; L626-I698 HydrophobicContact CD2-CG1 4.23Å; Y629-I698 HydrophobicContact CE1-CD1 4.49Å; Y629-I698 VanDerWaalsContact OH-CD1 3.25Å; Y629-I698 WeakPolarHBondContact OH-CD1 3.16Å; F673-I698 HydrophobicContact CD1-CD1 4.22Å; F693-I698 HydrophobicContact CE2-CB 4.37Å; I698-V700 PolarHBondContact O-N 2.77Å; I698-V700 VanDerWaalsContact O-N 3.13Å; I698-I701 HydrophobicContact CD1-CB 3.86Å; I698-I701 HydrophobicContact CD1-CG1 3.89Å; I698-I701 HydrophobicContact CD1-CG2 4.24Å; I698-I701 VanDerWaalsContact O-CB 3.32Å; I698-I701 WeakPolarHBondContact O-CB 3.41Å; I698-I701 PolarHBondContact O-N 2.82Å; I698-F702 HydrophobicContact CG1-CD2 4.19Å; I698-F702 HydrophobicContact CG1-CE2 3.85Å; I698-F702 PolarHBondContact O-N 2.87Å
699K93.3Very high95.3Very high38 Ų386.9 Ų6.917%0.1654%0.036CC..Hα-helixtrans-46.3-42.2174.1-176.4-169.766.9178.60112.7D696 G697 I701 F702 Q703 I779 I784D696-K699 WeakPolarHBondContact OD2-CE 3.41Å; D696-K699 IonicContact OD2-NZ 2.75Å; D696-K699 PolarHBondContact OD2-NZ 3.08Å; G697-K699 PolarHBondContact O-N 2.84Å; K699-I701 VanDerWaalsContact C-N 3.29Å; K699-I701 PolarHBondContact O-N 2.79Å; K699-F702 PolarHBondContact O-N 2.87Å; K699-Q703 WeakPolarHBondContact O-CG 3.39Å; K699-Q703 PolarHBondContact O-N 3.39Å; K699-Q703 VanDerWaalsContact O-N 3.12Å; K699-I779 WeakPolarHBondContact CD-O 3.42Å; K699-I784 HydrophobicContact CB-CD1 3.97Å; K699-I784 HydrophobicContact CG-CD1 4.03Å
700V94.6Very high95.2Very high2 Ų210.2 Ų10.21%0.0125%0.051CC..Hα-helixtrans-68.2-28.7-178.876.60000112.8C692 F693 G697 I698 Q703 L704 Y773C692-V700 HydrophobicContact CB-CG1 4.15Å; C692-V700 HydrophobicContact CB-CG2 4.04Å; F693-V700 HydrophobicContact CB-CG1 4.23Å; G697-V700 WeakPolarHBondContact O-CG1 3.38Å; G697-V700 PolarHBondContact O-N 2.69Å; G697-V700 VanDerWaalsContact O-N 3.12Å; I698-V700 PolarHBondContact O-N 2.77Å; I698-V700 VanDerWaalsContact O-N 3.13Å; V700-Q703 PolarHBondContact O-N 3.27Å; V700-L704 WeakPolarHBondContact O-CB 3.48Å; V700-L704 PolarHBondContact O-N 2.95Å; V700-Y773 HydrophobicContact CG2-CE2 3.57Å; V700-Y773 WeakPolarHBondContact CG2-OH 3.5Å
701I96.4Very high94.9Very high0 Ų012.4 Ų12.40%07%0.07CC..Hα-helixtrans-68.5-44178.3-53.4-57.5000109.9F673 L676 F677 V689 F693 I698 K699 L704 A705F673-I701 HydrophobicContact CD1-CG2 4.33Å; F673-I701 HydrophobicContact CD2-CG2 4.08Å; F673-I701 HydrophobicContact CE1-CG2 4.36Å; F673-I701 HydrophobicContact CE2-CG2 4.13Å; F673-I701 HydrophobicContact CG-CG2 4.19Å; F673-I701 HydrophobicContact CZ-CG2 4.26Å; L676-I701 HydrophobicContact CB-CD1 4.49Å; L676-I701 HydrophobicContact CD2-CD1 3.91Å; L676-I701 HydrophobicContact CD2-CG1 3.85Å; F677-I701 HydrophobicContact CD2-CG2 4.27Å; F677-I701 HydrophobicContact CE2-CG2 3.86Å; V689-I701 HydrophobicContact CG1-CD1 3.6Å; F693-I701 HydrophobicContact CB-CD1 4.36Å; F693-I701 HydrophobicContact CD2-CD1 4.45Å; F693-I701 HydrophobicContact CD2-CG1 4.1Å; I698-I701 HydrophobicContact CD1-CB 3.86Å; I698-I701 HydrophobicContact CD1-CG1 3.89Å; I698-I701 HydrophobicContact CD1-CG2 4.24Å; I698-I701 VanDerWaalsContact O-CB 3.32Å; I698-I701 WeakPolarHBondContact O-CB 3.41Å; I698-I701 PolarHBondContact O-N 2.82Å; K699-I701 VanDerWaalsContact C-N 3.29Å; K699-I701 PolarHBondContact O-N 2.79Å; I701-L704 PolarHBondContact O-N 3.34Å; I701-A705 VanDerWaalsContact O-CB 3.28Å; I701-A705 WeakPolarHBondContact O-CB 3.44Å; I701-A705 PolarHBondContact O-N 3.44Å
702F96.8Very high94.7Very high0 Ų012.7 Ų12.70%07%0.071CC..Hα-helixtrans-58.7-50.3170.9-73.5-77.9000112.2D640 V643 F644 L647 F673 I698 K699 L704 A705 L706 I784D640-F702 HydrophobicContact CB-CE1 4.49Å; D640-F702 HydrophobicContact CB-CZ 3.77Å; D640-F702 WeakPolarHBondContact O-CE1 3.33Å; D640-F702 VanDerWaalsContact OD2-CE2 3.23Å; D640-F702 WeakPolarHBondContact OD2-CE2 3.5Å; D640-F702 WeakPolarHBondContact OD2-CZ 3.08Å; V643-F702 HydrophobicContact CB-CE1 3.79Å; V643-F702 HydrophobicContact CB-CZ 3.86Å; V643-F702 HydrophobicContact CG1-CD1 4.44Å; V643-F702 HydrophobicContact CG1-CE1 3.58Å; V643-F702 HydrophobicContact CG1-CZ 3.65Å; F644-F702 HydrophobicContact CB-CD1 4.11Å; F644-F702 HydrophobicContact CB-CE1 3.95Å; F644-F702 HydrophobicContact CD2-CD1 4.33Å; L647-F702 HydrophobicContact CD1-CB 4.31Å; L647-F702 HydrophobicContact CD1-CD1 3.63Å; L647-F702 HydrophobicContact CD1-CE1 4.13Å; L647-F702 HydrophobicContact CD1-CG 4.13Å; F673-F702 AromaticContact CE1-CD1 3.86Å; F673-F702 HydrophobicContact CE1-CD1 3.86Å; F673-F702 HydrophobicContact CE1-CD2 4.36Å; F673-F702 AromaticContact CE1-CE1 3.6Å; F673-F702 HydrophobicContact CE1-CE1 3.6Å; F673-F702 HydrophobicContact CE1-CE2 4.14Å; F673-F702 HydrophobicContact CE1-CG 4.24Å; F673-F702 AromaticContact CE1-CZ 3.78Å; F673-F702 HydrophobicContact CE1-CZ 3.78Å; F673-F702 AromaticContact CZ-CD1 3.74Å; F673-F702 HydrophobicContact CZ-CD1 3.74Å; F673-F702 AromaticContact CZ-CE1 3.87Å; F673-F702 HydrophobicContact CZ-CE1 3.87Å; F673-F702 HydrophobicContact CZ-CG 4.23Å; F673-F702 HydrophobicContact CZ-CZ 4.47Å; I698-F702 HydrophobicContact CG1-CD2 4.19Å; I698-F702 HydrophobicContact CG1-CE2 3.85Å; I698-F702 PolarHBondContact O-N 2.87Å; K699-F702 PolarHBondContact O-N 2.87Å; F702-L704 VanDerWaalsContact C-N 3.3Å; F702-L704 PolarHBondContact O-N 3.3Å; F702-A705 PolarHBondContact O-N 3.17Å; F702-L706 WeakPolarHBondContact O-CG 3.26Å; F702-L706 PolarHBondContact O-N 3.38Å; F702-I784 HydrophobicContact CD2-CD1 3.87Å; F702-I784 HydrophobicContact CE2-CD1 4.17Å; F702-I784 HydrophobicContact CE2-CG2 3.86Å; F702-I784 HydrophobicContact CZ-CG2 4.33Å
703Q96.3Very high94.5Very high2 Ų214.2 Ų14.21%0.0098%0.079CC..Hα-helixtrans-61.3-40.4-179.2-66.9172.9-4800111.3K699 V700 S707 S772 F776 I779K699-Q703 WeakPolarHBondContact O-CG 3.39Å; K699-Q703 PolarHBondContact O-N 3.39Å; K699-Q703 VanDerWaalsContact O-N 3.12Å; V700-Q703 PolarHBondContact O-N 3.27Å; Q703-S707 WeakPolarHBondContact O-CB 3.41Å; Q703-S707 PolarHBondContact O-N 2.96Å; Q703-S707 PolarHBondContact O-OG 2.87Å; Q703-S772 WeakPolarHBondContact O-CB 3.38Å; Q703-F776 HydrophobicContact CB-CB 4.17Å; Q703-F776 HydrophobicContact CG-CB 3.9Å; Q703-F776 PolarHBondContact NE2-O 2.91Å; Q703-I779 HydrophobicContact CG-CD1 4.46Å
704L96.5Very high94.2Very high2 Ų222.7 Ų22.71%0.0112%0.118CC..Hα-helixtrans-67.1-47176.4-177.263.3000111.7F677 V689 V700 I701 F702 L706 S707 V708 L768F677-L704 HydrophobicContact CD2-CD2 3.88Å; F677-L704 HydrophobicContact CE2-CB 4.41Å; F677-L704 HydrophobicContact CE2-CD2 3.87Å; F677-L704 HydrophobicContact CE2-CG 4.19Å; F677-L704 HydrophobicContact CG-CD2 4.3Å; F677-L704 HydrophobicContact CZ-CD2 4.3Å; F677-L704 HydrophobicContact CZ-CG 4.26Å; V689-L704 HydrophobicContact CB-CD2 4.22Å; V689-L704 HydrophobicContact CG1-CD2 3.58Å; V689-L704 HydrophobicContact CG2-CD2 3.51Å; V700-L704 WeakPolarHBondContact O-CB 3.48Å; V700-L704 PolarHBondContact O-N 2.95Å; I701-L704 PolarHBondContact O-N 3.34Å; F702-L704 VanDerWaalsContact C-N 3.3Å; F702-L704 PolarHBondContact O-N 3.3Å; L704-L706 PolarHBondContact O-N 3.17Å; L704-S707 CarbonylContact O-C 3.55Å; L704-S707 WeakPolarHBondContact O-CA 3.39Å; L704-S707 VanDerWaalsContact O-CB 3.3Å; L704-S707 WeakPolarHBondContact O-CB 3.44Å; L704-S707 PolarHBondContact O-N 3.1Å; L704-V708 WeakPolarHBondContact O-CG2 3.49Å; L704-V708 PolarHBondContact O-N 3.46Å; L704-L768 HydrophobicContact CD1-CD1 4.39Å; L704-L768 HydrophobicContact CD1-CD2 3.8Å; L704-L768 HydrophobicContact CD1-CG 3.69Å
705A96.2Very high93.9Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-58.8-45.3177.700000112F644 W672 F673 F677 I701 F702 S707 V708 L709F644-A705 HydrophobicContact CD2-CB 4.09Å; F644-A705 HydrophobicContact CE2-CB 3.37Å; F644-A705 HydrophobicContact CZ-CB 3.64Å; W672-A705 HydrophobicContact CE3-CB 3.77Å; W672-A705 HydrophobicContact CZ3-CB 3.86Å; F673-A705 HydrophobicContact CE2-CB 4.21Å; F677-A705 HydrophobicContact CZ-CB 4Å; I701-A705 VanDerWaalsContact O-CB 3.28Å; I701-A705 WeakPolarHBondContact O-CB 3.44Å; I701-A705 PolarHBondContact O-N 3.44Å; F702-A705 PolarHBondContact O-N 3.17Å; A705-S707 PolarHBondContact O-N 3.37Å; A705-V708 PolarHBondContact O-N 2.72Å; A705-L709 PolarHBondContact O-N 3.5Å
706L96.1Very high93.8Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-62.4-31.5172.8-67.6170.7000112.5F644 L647 A648 F702 L704 H710 F776 I779F644-L706 HydrophobicContact CD2-CD2 4.35Å; F644-L706 HydrophobicContact CD2-CG 4.48Å; F644-L706 HydrophobicContact CE2-CD2 3.88Å; F644-L706 HydrophobicContact CE2-CG 4.03Å; L647-L706 HydrophobicContact CB-CD1 4.2Å; L647-L706 HydrophobicContact CB-CD2 4.35Å; A648-L706 HydrophobicContact CB-CD2 4.32Å; F702-L706 WeakPolarHBondContact O-CG 3.26Å; F702-L706 PolarHBondContact O-N 3.38Å; L704-L706 PolarHBondContact O-N 3.17Å; L706-H710 WeakPolarHBondContact O-CB 3.42Å; L706-H710 PolarHBondContact O-N 3.1Å; L706-F776 HydrophobicContact CB-CD1 4.15Å; L706-F776 HydrophobicContact CB-CD2 4.04Å; L706-F776 HydrophobicContact CB-CE1 3.91Å; L706-F776 HydrophobicContact CB-CE2 3.8Å; L706-F776 HydrophobicContact CB-CG 4.21Å; L706-F776 HydrophobicContact CB-CZ 3.72Å; L706-F776 HydrophobicContact CD1-CD1 3.95Å; L706-F776 HydrophobicContact CD1-CE1 4.31Å; L706-F776 HydrophobicContact CD1-CG 4.23Å; L706-I779 HydrophobicContact CD1-CD1 3.47Å; L706-I779 VanDerWaalsContact CD1-CD1 3.47Å
707S95.8Very high93.9Very high4 Ų427.7 Ų27.73%0.02814%0.143CC..Hα-helixtrans-72.3-39.1176.3-57.80000112.8Q703 L704 A705 H710 A711 S772 F776Q703-S707 WeakPolarHBondContact O-CB 3.41Å; Q703-S707 PolarHBondContact O-N 2.96Å; Q703-S707 PolarHBondContact O-OG 2.87Å; L704-S707 CarbonylContact O-C 3.55Å; L704-S707 WeakPolarHBondContact O-CA 3.39Å; L704-S707 VanDerWaalsContact O-CB 3.3Å; L704-S707 WeakPolarHBondContact O-CB 3.44Å; L704-S707 PolarHBondContact O-N 3.1Å; A705-S707 PolarHBondContact O-N 3.37Å; S707-H710 PolarHBondContact O-N 3.16Å; S707-A711 VanDerWaalsContact O-CB 3.32Å; S707-A711 WeakPolarHBondContact O-CB 3.46Å; S707-A711 PolarHBondContact O-N 3.38Å; S707-S772 WeakPolarHBondContact OG-CA 3.35Å; S707-S772 WeakPolarHBondContact OG-CB 3.21Å; S707-F776 WeakPolarHBondContact OG-CD2 3.46Å; S707-F776 VanDerWaalsContact OG-CE2 3.29Å; S707-F776 WeakPolarHBondContact OG-CE2 3.45Å
708V94.7Very high93.8Very high0 Ų029.8 Ų29.80%017%0.165CC..Hα-helixtrans-64-45.9174173.20000110.2W672 L704 A705 A711 N712 L729 Y732 L733W672-V708 HydrophobicContact CH2-CB 4.18Å; W672-V708 HydrophobicContact CH2-CG1 3.66Å; W672-V708 HydrophobicContact CZ2-CG1 4.15Å; W672-V708 HydrophobicContact CZ3-CB 4.47Å; W672-V708 HydrophobicContact CZ3-CG1 4.41Å; L704-V708 WeakPolarHBondContact O-CG2 3.49Å; L704-V708 PolarHBondContact O-N 3.46Å; A705-V708 PolarHBondContact O-N 2.72Å; V708-A711 PolarHBondContact O-N 3.15Å; V708-N712 PolarHBondContact O-N 3.21Å; V708-N712 PolarHBondContact O-ND2 3.38Å; V708-L729 HydrophobicContact CG1-CD2 4.03Å; V708-Y732 HydrophobicContact CB-CE1 4.49Å; V708-Y732 HydrophobicContact CG1-CD1 4Å; V708-Y732 HydrophobicContact CG1-CE1 4.23Å; V708-Y732 HydrophobicContact CG2-CE1 4.26Å; V708-L733 HydrophobicContact CG1-CD2 3.99Å; V708-L733 HydrophobicContact CG1-CG 4.29Å; V708-L733 HydrophobicContact CG2-CD2 3.81Å
709L93.9Very high93.7Very high1 Ų129.9 Ų29.91%0.00517%0.167CC..Hα-helixtrans-61.3-50.3173.5-67.7-166.4000111.5F644 L655 M659 I668 W672 A705 A711 N712 I713 L716 L729F644-L709 HydrophobicContact CE1-CD1 4.2Å; F644-L709 HydrophobicContact CE2-CD1 4.4Å; F644-L709 HydrophobicContact CZ-CD1 3.57Å; F644-L709 HydrophobicContact CZ-CG 4.12Å; L655-L709 HydrophobicContact CD2-CB 3.84Å; L655-L709 WeakPolarHBondContact CD2-O 3.34Å; M659-L709 HydrophobicContact CE-CD2 3.77Å; M659-L709 HydrophobicContact SD-CD2 3.82Å; I668-L709 HydrophobicContact CD1-CD2 4.07Å; W672-L709 HydrophobicContact CH2-CD2 4.16Å; A705-L709 PolarHBondContact O-N 3.5Å; L709-A711 VanDerWaalsContact C-N 3.28Å; L709-A711 PolarHBondContact O-N 3.32Å; L709-N712 PolarHBondContact O-N 3.35Å; L709-I713 PolarHBondContact O-N 3.33Å; L709-L716 HydrophobicContact CD2-CD1 4.46Å; L709-L729 HydrophobicContact CD2-CD2 4.14Å
710H93.1Very high93.5Very high71 Ų7136.2 Ų36.233%0.32920%0.195SC..Hα-helixtrans-59.3-37.7179.9-175.4-21.1000112.2V652 L706 S707 N712 I713 K775 F776V652-H710 HydrophobicContact CG1-CB 4.3Å; L706-H710 WeakPolarHBondContact O-CB 3.42Å; L706-H710 PolarHBondContact O-N 3.1Å; S707-H710 PolarHBondContact O-N 3.16Å; H710-N712 PolarHBondContact O-N 3.38Å; H710-I713 HydrophobicContact CB-CD1 4.34Å; H710-K775 PolarHBondContact CD2-NZ 3.44Å; H710-K775 VanDerWaalsContact CD2-NZ 3.26Å; H710-K775 PolarHBondContact CE1-NZ 2.95Å; H710-K775 PolarHBondContact ND1-NZ 2.99Å; H710-K775 PolarHBondContact NE2-NZ 3.39Å; H710-F776 HydrophobicContact CB-CZ 4.22Å; H710-F776 AromaticContact CD2-CZ 3.99Å
711A91.8Very high93.3Very high51 Ų5139.4 Ų39.442%0.42121%0.212SC..Hα-helixtrans-63.4-26.3178.300000113.3S707 V708 L709 Y732S707-A711 VanDerWaalsContact O-CB 3.32Å; S707-A711 WeakPolarHBondContact O-CB 3.46Å; S707-A711 PolarHBondContact O-N 3.38Å; V708-A711 PolarHBondContact O-N 3.15Å; L709-A711 VanDerWaalsContact C-N 3.28Å; L709-A711 PolarHBondContact O-N 3.32Å; A711-Y732 HydrophobicContact CB-CE1 4.31Å; A711-Y732 HydrophobicContact CB-CE2 3.71Å; A711-Y732 VanDerWaalsContact CB-OH 3.3Å; A711-Y732 WeakPolarHBondContact CB-OH 3.33Å
712N91.9Very high93Very high5 Ų544.1 Ų44.13%0.02724%0.237CC..Hα-helixtrans-112.13.4-171.3-65.7-71.8000114.7V708 L709 H710 H714 Q715 L716 V728 Y732V708-N712 PolarHBondContact O-N 3.21Å; V708-N712 PolarHBondContact O-ND2 3.38Å; L709-N712 PolarHBondContact O-N 3.35Å; H710-N712 PolarHBondContact O-N 3.38Å; N712-H714 VanDerWaalsContact C-N 3.28Å; N712-H714 PolarHBondContact O-N 3.31Å; N712-H714 VanDerWaalsContact O-N 3.07Å; N712-Q715 PolarHBondContact O-N 3.35Å; N712-L716 HydrophobicContact CB-CD1 3.64Å; N712-L716 HydrophobicContact CB-CG 3.97Å; N712-L716 PolarHBondContact O-N 3.41Å; N712-V728 HydrophobicContact CB-CG1 4.29Å; N712-Y732 WeakPolarHBondContact ND2-CD1 3.45Å; N712-Y732 WeakPolarHBondContact ND2-CD2 3.43Å; N712-Y732 WeakPolarHBondContact OD1-CD2 3.41Å
713I92.3Very high92.6Very high35 Ų3545.6 Ų45.618%0.17925%0.252CS..Hα-helixtrans-38.7-53.3-179.4-70.6166.4000112.8V652 L655 L709 H710 Q715 L716 L717V652-I713 HydrophobicContact CG1-CD1 4.19Å; L655-I713 HydrophobicContact CB-CG1 4.38Å; L655-I713 HydrophobicContact CD2-CG1 3.77Å; L709-I713 PolarHBondContact O-N 3.33Å; H710-I713 HydrophobicContact CB-CD1 4.34Å; I713-Q715 VanDerWaalsContact C-N 3.29Å; I713-Q715 PolarHBondContact O-N 3.15Å; I713-L716 PolarHBondContact O-N 3.44Å; I713-L717 HydrophobicContact CG2-CD1 3.58Å; I713-L717 HydrophobicContact CG2-CG 4.23Å; I713-L717 WeakPolarHBondContact O-CB 3.41Å; I713-L717 VanDerWaalsContact O-CG 3.26Å; I713-L717 WeakPolarHBondContact O-CG 3.46Å; I713-L717 PolarHBondContact O-N 2.87Å
714H91.3Very high92.3Very high178 Ų17849.2 Ų49.282%0.82427%0.269SS*.Hα-helixtrans-68.7-23.2-173.9-61.3-58.2000114.7N712N712-H714 VanDerWaalsContact C-N 3.28Å; N712-H714 PolarHBondContact O-N 3.31Å; N712-H714 VanDerWaalsContact O-N 3.07Å
715Q90.4Very high92.1Very high94 Ų9449.1 Ų49.144%0.43927%0.269SS..Hα-helixtrans-86.8-45.5175.6-65.9-179.551.800110.1N712 I713 L717 G718 C719 V728N712-Q715 PolarHBondContact O-N 3.35Å; I713-Q715 VanDerWaalsContact C-N 3.29Å; I713-Q715 PolarHBondContact O-N 3.15Å; Q715-L717 PolarHBondContact O-N 3.14Å; Q715-G718 WeakPolarHBondContact O-CA 3.17Å; Q715-G718 PolarHBondContact O-N 3.21Å; Q715-C719 PolarHBondContact O-N 3.1Å; Q715-V728 HydrophobicContact CB-CG1 3.79Å; Q715-V728 HydrophobicContact CB-CG2 4.38Å
716L92Very high91.7Very high1 Ų152.8 Ų52.81%0.00529%0.287CS..Hα-helixtrans-66.8-35.5-177.5-64.5169.8000113.1L655 M659 L709 N712 I713 G718 C719 A725 V728 L729L655-L716 HydrophobicContact CD1-CB 3.43Å; L655-L716 VanDerWaalsContact CD1-CB 3.43Å; L655-L716 HydrophobicContact CD1-CD1 4.06Å; L655-L716 HydrophobicContact CD1-CG 4.4Å; L655-L716 HydrophobicContact CD2-CD1 4.14Å; M659-L716 HydrophobicContact CE-CD1 4.48Å; M659-L716 HydrophobicContact SD-CD1 3.95Å; L709-L716 HydrophobicContact CD2-CD1 4.46Å; N712-L716 HydrophobicContact CB-CD1 3.64Å; N712-L716 HydrophobicContact CB-CG 3.97Å; N712-L716 PolarHBondContact O-N 3.41Å; I713-L716 PolarHBondContact O-N 3.44Å; L716-G718 PolarHBondContact O-N 2.7Å; L716-C719 WeakPolarHBondContact O-CB 3.36Å; L716-C719 PolarHBondContact O-N 2.76Å; L716-C719 VanDerWaalsContact O-N 3.16Å; L716-A725 HydrophobicContact CD2-CB 4.04Å; L716-V728 HydrophobicContact CD2-CB 3.93Å; L716-V728 HydrophobicContact CD2-CG1 3.7Å; L716-V728 HydrophobicContact CG-CG1 4.05Å; L716-L729 HydrophobicContact CD1-CD2 3.97Å; L716-L729 HydrophobicContact CD1-CG 4.46Å; L716-L729 HydrophobicContact CD2-CD2 4.46Å; L716-L729 HydrophobicContact CD2-CG 4.1Å
717L92.3Very high91.4Very high72 Ų7255 Ų5538%0.37730%0.3SS..THydrogen-bonded Turntrans-66.3-9.2170.3-71.4176.3000113.9Q654 L655 C658 I713 Q715Q654-L717 WeakPolarHBondContact O-CD2 3.48Å; L655-L717 HydrophobicContact CD1-CD2 4.45Å; L655-L717 HydrophobicContact CD1-CG 4.4Å; C658-L717 HydrophobicContact CB-CD2 3.89Å; I713-L717 HydrophobicContact CG2-CD1 3.58Å; I713-L717 HydrophobicContact CG2-CG 4.23Å; I713-L717 WeakPolarHBondContact O-CB 3.41Å; I713-L717 VanDerWaalsContact O-CG 3.26Å; I713-L717 WeakPolarHBondContact O-CG 3.46Å; I713-L717 PolarHBondContact O-N 2.87Å; Q715-L717 PolarHBondContact O-N 3.14Å
718G90.8Very high91.1Very high54 Ų5455.7 Ų55.756%0.55731%0.305SS*.THydrogen-bonded Turntrans-100-7.5174.100000114.2Q715 L716Q715-G718 WeakPolarHBondContact O-CA 3.17Å; Q715-G718 PolarHBondContact O-N 3.21Å; L716-G718 PolarHBondContact O-N 2.7Å
719C91.9Very high90.9Very high18 Ų1855.9 Ų55.912%0.12231%0.306CS..  trans-74.1146.4178.9-64.40000111.5L662 Q715 L716 E724 A725L662-C719 HydrophobicContact CD1-CB 4.44Å; Q715-C719 PolarHBondContact O-N 3.1Å; L716-C719 WeakPolarHBondContact O-CB 3.36Å; L716-C719 PolarHBondContact O-N 2.76Å; L716-C719 VanDerWaalsContact O-N 3.16Å; C719-E724 WeakPolarHBondContact CA-OE2 3.29Å; C719-E724 HydrophobicContact CB-CB 3.99Å; C719-A725 HydrophobicContact CB-CB 4.08Å
720K88.9Confident90.7Very high170 Ų17056.4 Ų56.474%0.73931%0.311SS*.  trans-109.9-21.7-178-61169.6-169.5156.30113.4E724K720-E724 PolarHBondContact N-OE2 3.21Å
721D90.8Very high90.4Very high70 Ų7056.3 Ų56.337%0.37431%0.308SS..SBendtrans-138.4169.5178.559.767.1000111G723 E724 A725D721-G723 VanDerWaalsContact C-N 3.33Å; D721-G723 WeakPolarHBondContact OD1-CA 3.38Å; D721-G723 PolarHBondContact OD1-N 3Å; D721-E724 PolarHBondContact OD1-N 3.15Å; D721-A725 PolarHBondContact O-N 3.16Å
722D89.2Confident90.4Very high98 Ų9855.4 Ų55.452%0.52429%0.293SS..Hα-helixtrans-66.9-34178.864-42.1000112.1V664 A725 M726V664-D722 HydrophobicContact CG2-CB 3.79Å; D722-A725 PolarHBondContact O-N 3.05Å; D722-M726 VanDerWaalsContact O-CB 3.28Å; D722-M726 WeakPolarHBondContact O-CB 3.25Å; D722-M726 WeakPolarHBondContact O-CG 3.19Å; D722-M726 PolarHBondContact O-N 3.12Å
723G88.8Confident90.3Very high32 Ų3255.3 Ų55.333%0.3329%0.293SS..Hα-helixtrans-62-46.217700000113.6D721 T727D721-G723 VanDerWaalsContact C-N 3.33Å; D721-G723 WeakPolarHBondContact OD1-CA 3.38Å; D721-G723 PolarHBondContact OD1-N 3Å; G723-T727 WeakPolarHBondContact O-CB 3.5Å; G723-T727 PolarHBondContact O-N 3.16Å; G723-T727 PolarHBondContact O-OG1 3.12Å
724E90.3Very high90.1Very high77 Ų7754.8 Ų54.836%0.3629%0.291SS..Hα-helixtrans-58.4-48.8172.7-75.6-173.4155.600110.8C719 K720 D721 T727 V728C719-E724 WeakPolarHBondContact CA-OE2 3.29Å; C719-E724 HydrophobicContact CB-CB 3.99Å; K720-E724 PolarHBondContact N-OE2 3.21Å; D721-E724 PolarHBondContact OD1-N 3.15Å; E724-T727 PolarHBondContact O-N 3.21Å; E724-V728 WeakPolarHBondContact O-CG2 3.26Å; E724-V728 PolarHBondContact O-N 2.93Å
725A90.8Very high89.9Confident1 Ų147.2 Ų47.21%0.00826%0.257CS..Hα-helixtrans-66-42.3-177.900000113V664 L716 C719 D721 D722 T727 V728 L729V664-A725 HydrophobicContact CG1-CB 4.34Å; V664-A725 HydrophobicContact CG2-CB 3.92Å; L716-A725 HydrophobicContact CD2-CB 4.04Å; C719-A725 HydrophobicContact CB-CB 4.08Å; D721-A725 PolarHBondContact O-N 3.16Å; D722-A725 PolarHBondContact O-N 3.05Å; A725-T727 VanDerWaalsContact C-N 3.32Å; A725-T727 PolarHBondContact O-N 3.39Å; A725-V728 PolarHBondContact O-N 3.16Å; A725-L729 WeakPolarHBondContact O-CG 3.37Å; A725-L729 PolarHBondContact O-N 3.35Å
726M89.2Confident90Very high77 Ų7742.7 Ų42.738%0.37924%0.237SC..Hα-helixtrans-61.6-40.3173.4-73.3-66.1-69.400111.3V664 I668 D722 L729 G730V664-M726 HydrophobicContact CG1-SD 4.12Å; I668-M726 HydrophobicContact CG2-CE 4.19Å; I668-M726 HydrophobicContact CG2-SD 3.35Å; I668-M726 WeakPolarHBondContact CG2-SD 3.41Å; D722-M726 VanDerWaalsContact O-CB 3.28Å; D722-M726 WeakPolarHBondContact O-CB 3.25Å; D722-M726 WeakPolarHBondContact O-CG 3.19Å; D722-M726 PolarHBondContact O-N 3.12Å; M726-L729 PolarHBondContact O-N 3.06Å; M726-G730 PolarHBondContact O-N 3.44Å
727T88.4Confident89.8Confident45 Ų4544.5 Ų44.528%0.27625%0.247SC..Hα-helixtrans-66.1-40.7177.4-57.30000111.9G723 E724 A725 G730 R731G723-T727 WeakPolarHBondContact O-CB 3.5Å; G723-T727 PolarHBondContact O-N 3.16Å; G723-T727 PolarHBondContact O-OG1 3.12Å; E724-T727 PolarHBondContact O-N 3.21Å; A725-T727 VanDerWaalsContact C-N 3.32Å; A725-T727 PolarHBondContact O-N 3.39Å; T727-G730 PolarHBondContact O-N 2.83Å; T727-R731 VanDerWaalsContact CG2-CZ 3.43Å; T727-R731 WeakPolarHBondContact O-CG 3.31Å; T727-R731 PolarHBondContact O-N 3.4Å
728V90.3Very high89.6Confident20 Ų2042 Ų4212%0.12123%0.234CC..Hα-helixtrans-61.5-46.3174.4167.30000111.1N712 Q715 L716 E724 A725 Y732N712-V728 HydrophobicContact CB-CG1 4.29Å; Q715-V728 HydrophobicContact CB-CG1 3.79Å; Q715-V728 HydrophobicContact CB-CG2 4.38Å; L716-V728 HydrophobicContact CD2-CB 3.93Å; L716-V728 HydrophobicContact CD2-CG1 3.7Å; L716-V728 HydrophobicContact CG-CG1 4.05Å; E724-V728 WeakPolarHBondContact O-CG2 3.26Å; E724-V728 PolarHBondContact O-N 2.93Å; A725-V728 PolarHBondContact O-N 3.16Å; V728-Y732 WeakPolarHBondContact O-CB 3.38Å; V728-Y732 PolarHBondContact O-N 3.42Å
729L91.1Very high89.2Confident4 Ų443.7 Ų43.72%0.02123%0.227CC..Hα-helixtrans-65.9-42178.3-71172.8000112.6M659 V664 I668 W672 V708 L709 L716 A725 M726 Y732 L733M659-L729 HydrophobicContact CE-CD1 3.95Å; V664-L729 HydrophobicContact CG1-CD1 4.22Å; I668-L729 HydrophobicContact CD1-CD1 3.71Å; I668-L729 HydrophobicContact CG2-CD1 3.97Å; W672-L729 HydrophobicContact CH2-CD1 4.48Å; W672-L729 HydrophobicContact CH2-CD2 4.23Å; W672-L729 HydrophobicContact CZ2-CD1 4.27Å; W672-L729 HydrophobicContact CZ2-CD2 4.35Å; V708-L729 HydrophobicContact CG1-CD2 4.03Å; L709-L729 HydrophobicContact CD2-CD2 4.14Å; L716-L729 HydrophobicContact CD1-CD2 3.97Å; L716-L729 HydrophobicContact CD1-CG 4.46Å; L716-L729 HydrophobicContact CD2-CD2 4.46Å; L716-L729 HydrophobicContact CD2-CG 4.1Å; A725-L729 WeakPolarHBondContact O-CG 3.37Å; A725-L729 PolarHBondContact O-N 3.35Å; M726-L729 PolarHBondContact O-N 3.06Å; L729-Y732 PolarHBondContact O-N 2.99Å; L729-L733 WeakPolarHBondContact O-CG 3.41Å; L729-L733 PolarHBondContact O-N 3.31Å
730G88.5Confident88.6Confident11 Ų1144.4 Ų44.411%0.11323%0.229CC..Hα-helixtrans-58.7-57.1176.300000111.8M726 T727 Y732 L733 D734M726-G730 PolarHBondContact O-N 3.44Å; T727-G730 PolarHBondContact O-N 2.83Å; G730-Y732 VanDerWaalsContact C-N 3.27Å; G730-Y732 PolarHBondContact O-N 3.34Å; G730-L733 PolarHBondContact O-N 3.37Å; G730-L733 VanDerWaalsContact O-N 3.09Å; G730-D734 PolarHBondContact O-N 2.89Å
731R86.9Confident88Confident69 Ų6936.6 Ų36.626%0.2620%0.196SC..Hα-helixtrans-58.5-37177.8-69.1-170.2-169.9124.14.1112.9T727 S735 T754 N756 H760T727-R731 VanDerWaalsContact CG2-CZ 3.43Å; T727-R731 WeakPolarHBondContact O-CG 3.31Å; T727-R731 PolarHBondContact O-N 3.4Å; R731-S735 WeakPolarHBondContact O-CB 3.48Å; R731-S735 PolarHBondContact O-N 2.98Å; R731-S735 VanDerWaalsContact O-N 3.14Å; R731-T754 PolarHBondContact NE-O 3.21Å; R731-N756 PolarHBondContact NH2-ND2 2.67Å; R731-N756 VanDerWaalsContact NH2-ND2 3.18Å; R731-H760 VanDerWaalsContact CD-NE2 3.33Å; R731-H760 WeakPolarHBondContact CD-NE2 3.42Å
732Y91.3Very high86.9Confident32 Ų3234.8 Ų34.813%0.12519%0.188CC..Hα-helixtrans-63.2-48.8174.8-179.6-91.7000111.6V708 A711 N712 V728 L729 G730 S735 V736 V763V708-Y732 HydrophobicContact CB-CE1 4.49Å; V708-Y732 HydrophobicContact CG1-CD1 4Å; V708-Y732 HydrophobicContact CG1-CE1 4.23Å; V708-Y732 HydrophobicContact CG2-CE1 4.26Å; A711-Y732 HydrophobicContact CB-CE1 4.31Å; A711-Y732 HydrophobicContact CB-CE2 3.71Å; A711-Y732 VanDerWaalsContact CB-OH 3.3Å; A711-Y732 WeakPolarHBondContact CB-OH 3.33Å; N712-Y732 WeakPolarHBondContact ND2-CD1 3.45Å; N712-Y732 WeakPolarHBondContact ND2-CD2 3.43Å; N712-Y732 WeakPolarHBondContact OD1-CD2 3.41Å; V728-Y732 WeakPolarHBondContact O-CB 3.38Å; V728-Y732 PolarHBondContact O-N 3.42Å; L729-Y732 PolarHBondContact O-N 2.99Å; G730-Y732 VanDerWaalsContact C-N 3.27Å; G730-Y732 PolarHBondContact O-N 3.34Å; Y732-S735 WeakPolarHBondContact O-CB 3.28Å; Y732-S735 PolarHBondContact O-N 2.93Å; Y732-S735 PolarHBondContact O-OG 3.33Å; Y732-V736 HydrophobicContact CD1-CG2 4.48Å; Y732-V736 HydrophobicContact CE1-CG2 4.18Å; Y732-V763 HydrophobicContact CE2-CG2 3.91Å
733L91.3Very high85.7Confident4 Ų431.4 Ų31.42%0.02117%0.169CC..Hα-helixtrans-68.9-39.3-177.8-70.6169.9000112.7W672 F677 V680 M681 P682 V708 L729 G730 S735 V736W672-L733 HydrophobicContact CZ2-CD1 3.91Å; F677-L733 HydrophobicContact CD1-CD2 4.39Å; F677-L733 HydrophobicContact CE1-CD2 4.37Å; V680-L733 HydrophobicContact CB-CD1 4.14Å; V680-L733 HydrophobicContact CG2-CD1 4.14Å; V680-L733 WeakPolarHBondContact O-CB 3.17Å; M681-L733 HydrophobicContact CB-CB 4.27Å; P682-L733 WeakPolarHBondContact CD-O 3.39Å; V708-L733 HydrophobicContact CG1-CD2 3.99Å; V708-L733 HydrophobicContact CG1-CG 4.29Å; V708-L733 HydrophobicContact CG2-CD2 3.81Å; L729-L733 WeakPolarHBondContact O-CG 3.41Å; L729-L733 PolarHBondContact O-N 3.31Å; G730-L733 PolarHBondContact O-N 3.37Å; G730-L733 VanDerWaalsContact O-N 3.09Å; L733-S735 PolarHBondContact O-N 3.3Å; L733-V736 WeakPolarHBondContact O-CB 3.49Å; L733-V736 PolarHBondContact O-N 2.88Å
734D86.6Confident84.3Confident24 Ų2434.4 Ų34.413%0.12818%0.183CC..Hα-helixtrans-60.9-29.1171.7-74.8-35.5000111.6P682 G730 V736 H748 H750 S751P682-D734 WeakPolarHBondContact CG-O 3.29Å; G730-D734 PolarHBondContact O-N 2.89Å; D734-V736 VanDerWaalsContact C-N 3.29Å; D734-V736 PolarHBondContact O-N 3.23Å; D734-H748 IonicContact OD1-CE1 2.72Å; D734-H748 IonicContact OD1-CG 3.15Å; D734-H748 IonicContact OD1-ND1 3.13Å; D734-H748 PolarHBondContact OD1-ND1 2.95Å; D734-H750 IonicContact OD2-CD2 2.69Å; D734-S751 PolarHBondContact OD2-N 2.89Å
735S88.5Confident82.9Confident18 Ų1836.3 Ų36.313%0.12620%0.202CC..THydrogen-bonded Turntrans-76.7-5.717484.30000115.2R731 Y732 L733 T737 V763R731-S735 WeakPolarHBondContact O-CB 3.48Å; R731-S735 PolarHBondContact O-N 2.98Å; R731-S735 VanDerWaalsContact O-N 3.14Å; Y732-S735 WeakPolarHBondContact O-CB 3.28Å; Y732-S735 PolarHBondContact O-N 2.93Å; Y732-S735 PolarHBondContact O-OG 3.33Å; L733-S735 PolarHBondContact O-N 3.3Å; S735-T737 PolarHBondContact O-N 2.84Å; S735-V763 PolarHBondContact O-N 2.86Å
736V91.1Very high81.4Confident0 Ų038.3 Ų38.30%021%0.212CC..EExtended strand (participates in β ladder)trans-81.6104.1179.1-175.60000110.2M681 P682 S685 Y732 L733 D734 V763 I765 L768M681-V736 HydrophobicContact CE-CB 3.9Å; M681-V736 HydrophobicContact CE-CG1 3.63Å; M681-V736 HydrophobicContact CE-CG2 4.36Å; P682-V736 WeakPolarHBondContact CG-O 3.38Å; S685-V736 WeakPolarHBondContact CB-O 3.44Å; S685-V736 PolarHBondContact OG-O 3.27Å; Y732-V736 HydrophobicContact CD1-CG2 4.48Å; Y732-V736 HydrophobicContact CE1-CG2 4.18Å; L733-V736 WeakPolarHBondContact O-CB 3.49Å; L733-V736 PolarHBondContact O-N 2.88Å; D734-V736 VanDerWaalsContact C-N 3.29Å; D734-V736 PolarHBondContact O-N 3.23Å; V736-V763 CarbonylContact C-O 3.57Å; V736-V763 VanDerWaalsContact CA-O 3.31Å; V736-V763 WeakPolarHBondContact CA-O 3.44Å; V736-V763 HydrophobicContact CG2-CB 4.19Å; V736-V763 HydrophobicContact CG2-CG1 4.39Å; V736-I765 HydrophobicContact CG1-CB 3.99Å; V736-I765 HydrophobicContact CG1-CD1 3.78Å; V736-I765 HydrophobicContact CG1-CG1 4.43Å; V736-L768 HydrophobicContact CG1-CD2 4Å; V736-L768 HydrophobicContact CG2-CD2 3.94Å
737T89.1Confident79.7Confident38 Ų3838.4 Ų38.423%0.23322%0.219CC..EExtended strand (participates in β ladder)trans-111.8146.5-17357.50000113.2S685 S735 V763 I765S685-T737 WeakPolarHBondContact OG-CA 3.36Å; S735-T737 PolarHBondContact O-N 2.84Å; T737-V763 PolarHBondContact N-O 2.95Å; T737-I765 PolarHBondContact O-N 3.24Å; T737-I765 VanDerWaalsContact O-N 3.12Å
738N87.9Confident78.3Confident19 Ų1938.1 Ų38.110%0.10221%0.214CC..  trans-95.4102.6171.9-177.8-17.4000110.2E684 S685 D740 S741 I765E684-N738 HydrophobicContact CB-CB 3.89Å; E684-N738 WeakPolarHBondContact O-CB 3.4Å; E684-N738 PolarHBondContact O-ND2 2.89Å; S685-N738 PolarHBondContact OG-N 3.35Å; N738-D740 PolarHBondContact O-N 2.88Å; N738-D740 PolarHBondContact OD1-N 3.13Å; N738-S741 PolarHBondContact O-N 3.29Å; N738-S741 PolarHBondContact OD1-N 2.89Å; N738-I765 HydrophobicContact CB-CG2 3.94Å
739K81.9Confident76.5Confident91 Ų9142.2 Ų42.240%0.39624%0.235SC..THydrogen-bonded Turntrans-76.7-0.8-175.9-54.4-164.8174.5-161.30114.2K476 E762 D764K476-K739 PolarHBondContact NZ-O 2.87Å; K739-E762 VanDerWaalsContact CE-OE2 3.24Å; K739-E762 WeakPolarHBondContact CE-OE2 3.27Å; K739-E762 IonicContact NZ-OE2 2.59Å; K739-E762 PolarHBondContact NZ-OE2 3.15Å; K739-D764 HydrophobicContact CD-CB 4.42Å
740D79.9Confident74.8Confident33 Ų3345.6 Ų45.618%0.17625%0.25CS..THydrogen-bonded Turntrans-106.8-25.1178.2-78.618.1000113.3K476 K480 N738 T742 F766K476-D740 HydrophobicContact CD-CB 4.18Å; K476-D740 WeakPolarHBondContact CD-OD1 3.28Å; K476-D740 WeakPolarHBondContact CE-OD1 3.15Å; K476-D740 IonicContact NZ-OD1 3.68Å; K476-D740 PolarHBondContact NZ-OD1 3.47Å; K480-D740 IonicContact NZ-OD2 2.63Å; N738-D740 PolarHBondContact O-N 2.88Å; N738-D740 PolarHBondContact OD1-N 3.13Å; D740-T742 PolarHBondContact O-N 3.4Å; D740-F766 HydrophobicContact CB-CE2 4.16Å
741S75.9Confident73.2Confident6 Ų647.4 Ų47.44%0.04226%0.261CS..  trans-53.5137.1-174.7170.70000112.9K473 E684 N738 L743K473-S741 WeakPolarHBondContact CD-O 3.42Å; K473-S741 WeakPolarHBondContact CE-O 3.21Å; K473-S741 PolarHBondContact NZ-O 3.22Å; E684-S741 VanDerWaalsContact OE2-CB 3.26Å; E684-S741 WeakPolarHBondContact OE2-CB 3.37Å; E684-S741 PolarHBondContact OE2-OG 3.35Å; N738-S741 PolarHBondContact O-N 3.29Å; N738-S741 PolarHBondContact OD1-N 2.89Å; S741-L743 VanDerWaalsContact C-N 3.33Å; S741-L743 PolarHBondContact OG-N 2.94Å; S741-L743 VanDerWaalsContact OG-N 3.16Å
742T67.4Low71.7Confident32 Ų3249.7 Ų49.720%0.19628%0.278CS..  trans-80.5-14.8177.871.50000113.6K473 L474 E477 E513 D740K473-T742 HydrophobicContact CB-CG2 4.17Å; L474-T742 HydrophobicContact CD2-CG2 3.98Å; E477-T742 HydrophobicContact CG-CG2 3.58Å; E513-T742 WeakPolarHBondContact OE1-CB 3.47Å; E513-T742 WeakPolarHBondContact OE1-CG2 3.25Å; E513-T742 PolarHBondContact OE1-N 2.97Å; E513-T742 PolarHBondContact OE1-OG1 3.37Å; E513-T742 PolarHBondContact OE2-OG1 3.16Å; D740-T742 PolarHBondContact O-N 3.4Å
743L64.9Low69.8Low26 Ų2654.8 Ų54.814%0.13631%0.307CS..SBendtrans-85.2156.1-169-66.8162.5000112M459 E684 S741M459-L743 HydrophobicContact CE-CD1 3.43Å; M459-L743 VanDerWaalsContact CE-CD1 3.43Å; M459-L743 HydrophobicContact CE-CD2 3.74Å; M459-L743 HydrophobicContact CE-CG 4.25Å; E684-L743 WeakPolarHBondContact OE1-CB 3.15Å; E684-L743 WeakPolarHBondContact OE1-CD1 3.44Å; S741-L743 VanDerWaalsContact C-N 3.33Å; S741-L743 PolarHBondContact OG-N 2.94Å; S741-L743 VanDerWaalsContact OG-N 3.16Å
744P59Low68.1Low95 Ų9555.6 Ų55.662%0.61731%0.312SS*.PPolyproline II helixtrans-67.3144.6172.529.4-34.5000110.1I746P744-I746 PolarHBondContact O-N 3.34Å; P744-I746 VanDerWaalsContact O-N 3.13Å
745P60.2Low66.5Low118 Ų11860.5 Ų60.577%0.76634%0.338SS*.PPolyproline II helixtrans-60.3119.3173.9-20.332.2000110.3P747P745-P747 WeakPolarHBondContact O-CD 3.44Å
746I59.8Low64.8Low42 Ų4265.9 Ų65.922%0.21537%0.365CS..  trans-85.5114.6170.8-55-177.3000106.5E565 P744 H748E565-I746 HydrophobicContact CB-CG2 3.45Å; E565-I746 VanDerWaalsContact CB-CG2 3.45Å; E565-I746 HydrophobicContact CG-CG2 4.35Å; E565-I746 WeakPolarHBondContact OE2-CG2 3.29Å; P744-I746 PolarHBondContact O-N 3.34Å; P744-I746 VanDerWaalsContact O-N 3.13Å; I746-H748 PolarHBondContact O-N 3.2Å
747P53.4Low63.1Low80 Ų8068.8 Ų68.852%0.51940%0.395SS..  trans-77.1106.6-175.1-1128.1000110.3P745 L752P745-P747 WeakPolarHBondContact O-CD 3.44Å; P747-L752 HydrophobicContact CB-CD2 4.25Å
748H59.8Low61.5Low39 Ų3974.8 Ų74.818%0.18142%0.42CS..  trans-58.3133.7-179.4-179.9-133.7000111.7D734 I746 H750 S751 L752D734-H748 IonicContact OD1-CE1 2.72Å; D734-H748 IonicContact OD1-CG 3.15Å; D734-H748 IonicContact OD1-ND1 3.13Å; D734-H748 PolarHBondContact OD1-ND1 2.95Å; I746-H748 PolarHBondContact O-N 3.2Å; H748-H750 PolarHBondContact O-N 3.48Å; H748-S751 WeakPolarHBondContact O-CB 3.4Å; H748-S751 PolarHBondContact O-N 3.15Å; H748-L752 PolarHBondContact O-N 3.12Å
749L52.3Low60Low106 Ų10680 Ų8056%0.55546%0.455SS*.THydrogen-bonded Turntrans-48.7-30.8-177.2-170.563.9000115.2E565 L753E565-L749 WeakPolarHBondContact OE1-CB 3.38Å; E565-L749 PolarHBondContact OE1-N 3.42Å; L749-L753 WeakPolarHBondContact O-CG 3.23Å
750H54.2Low58.9Low75 Ų7579.7 Ų79.735%0.34746%0.455SS..THydrogen-bonded Turntrans-74-35.6177.8-161.773.5000113.3D734 H748 L752 L753 T754D734-H750 IonicContact OD2-CD2 2.69Å; H748-H750 PolarHBondContact O-N 3.48Å; H750-L752 VanDerWaalsContact C-N 3.29Å; H750-L752 PolarHBondContact O-N 3.47Å; H750-L753 PolarHBondContact O-N 3.31Å; H750-L753 VanDerWaalsContact O-N 3.08Å; H750-T754 WeakPolarHBondContact O-CG2 3.39Å; H750-T754 PolarHBondContact O-N 3.25Å; H750-T754 PolarHBondContact O-OG1 2.85Å
751S55.6Low58.6Low48 Ų4883.2 Ų83.234%0.33648%0.48SS..Hα-helixtrans-63.2-37175176.10000111.3D734 H748 L753 T754 D755D734-S751 PolarHBondContact OD2-N 2.89Å; H748-S751 WeakPolarHBondContact O-CB 3.4Å; H748-S751 PolarHBondContact O-N 3.15Å; S751-L753 PolarHBondContact O-N 3.02Å; S751-T754 PolarHBondContact O-N 3.42Å; S751-D755 PolarHBondContact O-N 3.32Å
752L54.5Low58.9Low117 Ų11788.9 Ų88.961%0.61351%0.506SS*.Hα-helixtrans-66.8-14.2175-62.3176.5000114.2P747 H748 H750P747-L752 HydrophobicContact CB-CD2 4.25Å; H748-L752 PolarHBondContact O-N 3.12Å; H750-L752 VanDerWaalsContact C-N 3.29Å; H750-L752 PolarHBondContact O-N 3.47Å
753L52.7Low59.9Low140 Ų14088.7 Ų88.773%0.73350%0.504SS*.Hα-helixtrans-107.1-9.3-179-65.9171.2000113.4L749 H750 S751L749-L753 WeakPolarHBondContact O-CG 3.23Å; H750-L753 PolarHBondContact O-N 3.31Å; H750-L753 VanDerWaalsContact O-N 3.08Å; S751-L753 PolarHBondContact O-N 3.02Å
754T54.9Low61.2Low21 Ų2189.4 Ų89.413%0.12951%0.508CS..Hα-helixtrans-123-0.5-171.454.80000114.6R731 H750 S751 N756R731-T754 PolarHBondContact NE-O 3.21Å; H750-T754 WeakPolarHBondContact O-CG2 3.39Å; H750-T754 PolarHBondContact O-N 3.25Å; H750-T754 PolarHBondContact O-OG1 2.85Å; S751-T754 PolarHBondContact O-N 3.42Å; T754-N756 PolarHBondContact O-N 3.49Å; T754-N756 VanDerWaalsContact O-N 3.09Å
755D52.6Low62.9Low127 Ų12784.9 Ų84.968%0.67948%0.479SS*.  trans-69.699.4178.6-174.512.6000112.3S751 G757S751-D755 PolarHBondContact O-N 3.32Å; D755-G757 WeakPolarHBondContact OD1-CA 3.24Å; D755-G757 PolarHBondContact OD1-N 2.93Å
756N53.7Low64.5Low131 Ų13180 Ų8070%0.70145%0.446SS*.  trans-9811.8171.9-73.9-11.7000112.6R731 T754 E758R731-N756 PolarHBondContact NH2-ND2 2.67Å; R731-N756 VanDerWaalsContact NH2-ND2 3.18Å; T754-N756 PolarHBondContact O-N 3.49Å; T754-N756 VanDerWaalsContact O-N 3.09Å; N756-E758 PolarHBondContact O-N 2.93Å
757G54.6Low66.1Low61 Ų6184.8 Ų84.863%0.62947%0.465SS*.SBendtrans78.21.9174.200000117.1D755D755-G757 WeakPolarHBondContact OD1-CA 3.24Å; D755-G757 PolarHBondContact OD1-N 2.93Å
758E56.3Low68.1Low163 Ų16381.4 Ų81.476%0.76244%0.442SS*.  trans-87.7124.6172.8-69-137.1142.500111.7N756 H760N756-E758 PolarHBondContact O-N 2.93Å; E758-H760 PolarHBondContact O-N 3.41Å; E758-H760 VanDerWaalsContact O-N 3.11Å
759P55.6Low69.8Low129 Ų12979.7 Ų79.784%0.83844%0.435SS*.  trans-78.299.3-175.330.4-34.6000112.3
760H60.4Low71.8Confident84 Ų8480.2 Ų80.239%0.38943%0.43SS..  trans-65.3145.5168.7-75.9-79.9000112R731 E758 E762R731-H760 VanDerWaalsContact CD-NE2 3.33Å; R731-H760 WeakPolarHBondContact CD-NE2 3.42Å; E758-H760 PolarHBondContact O-N 3.41Å; E758-H760 VanDerWaalsContact O-N 3.11Å; H760-E762 PolarHBondContact O-N 2.94Å
761P73.4Confident73.6Confident107 Ų10778.1 Ų78.170%0.69542%0.423SS*.  trans-75.6114.9-177.829.5-34.2000112.2V763P761-V763 PolarHBondContact O-N 3.29Å
762E81Confident75.5Confident125 Ų12575.8 Ų75.858%0.58441%0.407SS*.PPolyproline II helixtrans-47.6124.6179-66.6-178.6154.500113.9K739 H760K739-E762 VanDerWaalsContact CE-OE2 3.24Å; K739-E762 WeakPolarHBondContact CE-OE2 3.27Å; K739-E762 IonicContact NZ-OE2 2.59Å; K739-E762 PolarHBondContact NZ-OE2 3.15Å; H760-E762 PolarHBondContact O-N 2.94Å
763V88.9Confident77.3Confident28 Ų2871.9 Ų71.917%0.1738%0.384CS..EExtended strand (participates in β ladder)trans-96.9117.4174.8-178.90000109.6Y732 S735 V736 T737 P761 I765 L768Y732-V763 HydrophobicContact CE2-CG2 3.91Å; S735-V763 PolarHBondContact O-N 2.86Å; V736-V763 CarbonylContact C-O 3.57Å; V736-V763 VanDerWaalsContact CA-O 3.31Å; V736-V763 WeakPolarHBondContact CA-O 3.44Å; V736-V763 HydrophobicContact CG2-CB 4.19Å; V736-V763 HydrophobicContact CG2-CG1 4.39Å; T737-V763 PolarHBondContact N-O 2.95Å; P761-V763 PolarHBondContact O-N 3.29Å; V763-I765 PolarHBondContact O-N 2.89Å; V763-L768 HydrophobicContact CG1-CB 4.09Å
764D92.6Very high79.2Confident41 Ų4172 Ų7222%0.21938%0.381CS..EExtended strand (participates in β ladder)trans-68123171.7164.740.2000111K739 F766 K767 L768K739-D764 HydrophobicContact CD-CB 4.42Å; D764-F766 VanDerWaalsContact C-N 3.27Å; D764-F766 PolarHBondContact O-N 3.06Å; D764-F766 PolarHBondContact OD1-N 3.16Å; D764-F766 VanDerWaalsContact OD1-N 3.14Å; D764-K767 HydrophobicContact CB-CB 4.11Å; D764-K767 WeakPolarHBondContact O-CB 3.2Å; D764-K767 PolarHBondContact O-N 3.28Å; D764-K767 VanDerWaalsContact O-N 3.08Å; D764-K767 PolarHBondContact OD2-N 2.94Å; D764-K767 VanDerWaalsContact OD2-N 3.13Å; D764-L768 PolarHBondContact O-N 3.12Å
765I94.4Very high81Confident0 Ų075.5 Ų75.50%039%0.394CS..Hα-helixtrans-55.4-39178.8-175.359.2000112.7M681 V688 V689 V736 T737 N738 V763 K767 L768 V769M681-I765 HydrophobicContact CE-CD1 3.88Å; V688-I765 HydrophobicContact CB-CG1 4.01Å; V688-I765 HydrophobicContact CG1-CG1 4.12Å; V688-I765 HydrophobicContact CG2-CG2 4.33Å; V689-I765 HydrophobicContact CG2-CD1 4.1Å; V736-I765 HydrophobicContact CG1-CB 3.99Å; V736-I765 HydrophobicContact CG1-CD1 3.78Å; V736-I765 HydrophobicContact CG1-CG1 4.43Å; T737-I765 PolarHBondContact O-N 3.24Å; T737-I765 VanDerWaalsContact O-N 3.12Å; N738-I765 HydrophobicContact CB-CG2 3.94Å; V763-I765 PolarHBondContact O-N 2.89Å; I765-K767 VanDerWaalsContact C-N 3.3Å; I765-K767 PolarHBondContact O-N 3.41Å; I765-L768 PolarHBondContact O-N 3.06Å; I765-V769 HydrophobicContact CD1-CG2 3.98Å; I765-V769 HydrophobicContact CG1-CG2 4.28Å; I765-V769 WeakPolarHBondContact O-CG2 3.48Å; I765-V769 PolarHBondContact O-N 2.68Å
766F94.1Very high82.9Confident16 Ų1669.7 Ų69.77%0.0736%0.363CS..Hα-helixtrans-69.9-29.4-179.5-63.5-71.8000112.3V688 D740 D764 R770V688-F766 HydrophobicContact CB-CE1 4.48Å; V688-F766 HydrophobicContact CG1-CD1 4.01Å; V688-F766 HydrophobicContact CG1-CE1 3.53Å; V688-F766 HydrophobicContact CG1-CZ 4.15Å; V688-F766 HydrophobicContact CG2-CE1 4.06Å; V688-F766 HydrophobicContact CG2-CZ 3.83Å; D740-F766 HydrophobicContact CB-CE2 4.16Å; D764-F766 VanDerWaalsContact C-N 3.27Å; D764-F766 PolarHBondContact O-N 3.06Å; D764-F766 PolarHBondContact OD1-N 3.16Å; D764-F766 VanDerWaalsContact OD1-N 3.14Å; F766-R770 VanDerWaalsContact O-CB 3.25Å; F766-R770 WeakPolarHBondContact O-CB 3.24Å; F766-R770 PolarHBondContact O-N 3.09Å; F766-R770 VanDerWaalsContact O-N 3.1Å
767K93.6Very high84.5Confident142 Ų14265.5 Ų65.562%0.61735%0.351SS*.Hα-helixtrans-72.5-41.2170.2-174.4-174.2175.2-170.60111.8D764 I765 R770 S771D764-K767 HydrophobicContact CB-CB 4.11Å; D764-K767 WeakPolarHBondContact O-CB 3.2Å; D764-K767 PolarHBondContact O-N 3.28Å; D764-K767 VanDerWaalsContact O-N 3.08Å; D764-K767 PolarHBondContact OD2-N 2.94Å; D764-K767 VanDerWaalsContact OD2-N 3.13Å; I765-K767 VanDerWaalsContact C-N 3.3Å; I765-K767 PolarHBondContact O-N 3.41Å; K767-R770 PolarHBondContact O-N 2.73Å; K767-S771 WeakPolarHBondContact O-CB 3.49Å; K767-S771 PolarHBondContact O-N 3.34Å
768L95Very high86.1Confident9 Ų966 Ų665%0.04735%0.345CS..Hα-helixtrans-63.7-49177.8178.759.3000111.4L704 V736 V763 D764 I765 S771 S772L704-L768 HydrophobicContact CD1-CD1 4.39Å; L704-L768 HydrophobicContact CD1-CD2 3.8Å; L704-L768 HydrophobicContact CD1-CG 3.69Å; V736-L768 HydrophobicContact CG1-CD2 4Å; V736-L768 HydrophobicContact CG2-CD2 3.94Å; V763-L768 HydrophobicContact CG1-CB 4.09Å; D764-L768 PolarHBondContact O-N 3.12Å; I765-L768 PolarHBondContact O-N 3.06Å; L768-S771 PolarHBondContact O-N 3.24Å; L768-S772 PolarHBondContact O-N 3.46Å; L768-S772 VanDerWaalsContact O-N 3.07Å
769V95.1Very high87.8Confident4 Ų458.4 Ų58.42%0.02431%0.31CS..Hα-helixtrans-61.4-45.4175.4174.30000110.8L508 I765 S771 S772 Y773L508-V769 HydrophobicContact CD2-CG1 3.83Å; I765-V769 HydrophobicContact CD1-CG2 3.98Å; I765-V769 HydrophobicContact CG1-CG2 4.28Å; I765-V769 WeakPolarHBondContact O-CG2 3.48Å; I765-V769 PolarHBondContact O-N 2.68Å; V769-S771 VanDerWaalsContact C-N 3.33Å; V769-S771 PolarHBondContact O-N 3.24Å; V769-S772 PolarHBondContact O-N 2.91Å; V769-S772 PolarHBondContact O-OG 2.92Å; V769-Y773 HydrophobicContact CG1-CD2 4.11Å; V769-Y773 HydrophobicContact CG1-CE2 3.93Å; V769-Y773 WeakPolarHBondContact O-CD2 3.3Å; V769-Y773 PolarHBondContact O-N 2.77Å
770R93.9Very high89.3Confident117 Ų11757.3 Ų57.344%0.44229%0.289SS..Hα-helixtrans-59.8-43.5176.5-170.9179.2-56.3103.916.8112.1F766 K767 S772 Y773 E774F766-R770 VanDerWaalsContact O-CB 3.25Å; F766-R770 WeakPolarHBondContact O-CB 3.24Å; F766-R770 PolarHBondContact O-N 3.09Å; F766-R770 VanDerWaalsContact O-N 3.1Å; K767-R770 PolarHBondContact O-N 2.73Å; R770-S772 PolarHBondContact O-N 3.25Å; R770-Y773 PolarHBondContact O-N 2.79Å; R770-E774 WeakPolarHBondContact CD-OE1 3.5Å; R770-E774 HydrophobicContact CG-CG 4.33Å; R770-E774 VanDerWaalsContact CG-OE1 3.29Å; R770-E774 WeakPolarHBondContact CG-OE1 3.43Å; R770-E774 WeakPolarHBondContact O-CB 3.38Å; R770-E774 WeakPolarHBondContact O-CG 3.39Å; R770-E774 PolarHBondContact O-N 3.35Å
771S93.6Very high90.6Very high30 Ų3056.1 Ų56.121%0.2129%0.293CS..Hα-helixtrans-63.2-24.1176.3-1760000113.2K767 L768 V769 K775K767-S771 WeakPolarHBondContact O-CB 3.49Å; K767-S771 PolarHBondContact O-N 3.34Å; L768-S771 PolarHBondContact O-N 3.24Å; V769-S771 VanDerWaalsContact C-N 3.33Å; V769-S771 PolarHBondContact O-N 3.24Å; S771-K775 VanDerWaalsContact O-CB 3.3Å; S771-K775 WeakPolarHBondContact O-CB 3.27Å; S771-K775 VanDerWaalsContact O-CG 3.31Å; S771-K775 WeakPolarHBondContact O-CG 3.49Å; S771-K775 PolarHBondContact O-N 3.21Å
772S95.5Very high91Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-75.2-43.6177.781.60000112Q703 S707 L768 V769 R770 F776Q703-S772 WeakPolarHBondContact O-CB 3.38Å; S707-S772 WeakPolarHBondContact OG-CA 3.35Å; S707-S772 WeakPolarHBondContact OG-CB 3.21Å; L768-S772 PolarHBondContact O-N 3.46Å; L768-S772 VanDerWaalsContact O-N 3.07Å; V769-S772 PolarHBondContact O-N 2.91Å; V769-S772 PolarHBondContact O-OG 2.92Å; R770-S772 PolarHBondContact O-N 3.25Å; S772-F776 WeakPolarHBondContact O-CA 3.22Å; S772-F776 WeakPolarHBondContact O-CB 3.46Å; S772-F776 PolarHBondContact O-N 3.47Å
773Y91.6Very high91.4Very high35 Ų3550.3 Ų50.314%0.13726%0.262CS..Hα-helixtrans-65.3-37.6171.7-77.1-90.3000112.5L508 D696 V700 V769 R770 G777L508-Y773 HydrophobicContact CD2-CD2 3.81Å; L508-Y773 HydrophobicContact CD2-CE2 3.47Å; L508-Y773 VanDerWaalsContact CD2-CE2 3.47Å; D696-Y773 WeakPolarHBondContact CB-OH 3.18Å; D696-Y773 WeakPolarHBondContact OD2-CE1 3.41Å; V700-Y773 HydrophobicContact CG2-CE2 3.57Å; V700-Y773 WeakPolarHBondContact CG2-OH 3.5Å; V769-Y773 HydrophobicContact CG1-CD2 4.11Å; V769-Y773 HydrophobicContact CG1-CE2 3.93Å; V769-Y773 WeakPolarHBondContact O-CD2 3.3Å; V769-Y773 PolarHBondContact O-N 2.77Å; R770-Y773 PolarHBondContact O-N 2.79Å; Y773-G777 VanDerWaalsContact O-CA 3.24Å; Y773-G777 WeakPolarHBondContact O-CA 3.43Å; Y773-G777 PolarHBondContact O-N 3.04Å; Y773-G777 VanDerWaalsContact O-N 3.11Å
774E92.3Very high91.5Very high142 Ų14249.1 Ų49.166%0.66426%0.255SS*.Hα-helixtrans-69.5-43.4178.7-74.3171.1177.400112.8R770R770-E774 WeakPolarHBondContact CD-OE1 3.5Å; R770-E774 HydrophobicContact CG-CG 4.33Å; R770-E774 VanDerWaalsContact CG-OE1 3.29Å; R770-E774 WeakPolarHBondContact CG-OE1 3.43Å; R770-E774 WeakPolarHBondContact O-CB 3.38Å; R770-E774 WeakPolarHBondContact O-CG 3.39Å; R770-E774 PolarHBondContact O-N 3.35Å
775K92.1Very high91.2Very high94 Ų9451.8 Ų51.841%0.40927%0.266SS..Hα-helixtrans-83.1-37-178-70-176.3177.7-169.30114.1H710 S771H710-K775 PolarHBondContact CD2-NZ 3.44Å; H710-K775 VanDerWaalsContact CD2-NZ 3.26Å; H710-K775 PolarHBondContact CE1-NZ 2.95Å; H710-K775 PolarHBondContact ND1-NZ 2.99Å; H710-K775 PolarHBondContact NE2-NZ 3.39Å; S771-K775 VanDerWaalsContact O-CB 3.3Å; S771-K775 WeakPolarHBondContact O-CB 3.27Å; S771-K775 VanDerWaalsContact O-CG 3.31Å; S771-K775 WeakPolarHBondContact O-CG 3.49Å; S771-K775 PolarHBondContact O-N 3.21Å
776F94.3Very high90.7Very high5 Ų557.3 Ų57.32%0.02229%0.292CS..Hα-helixtrans-118.718.6-169.6-52.4-70.8000112.5Y651 Q703 L706 S707 H710 S772 S778 I779Y651-F776 AromaticContact CD1-CD1 3.61Å; Y651-F776 HydrophobicContact CD1-CD1 3.61Å; Y651-F776 AromaticContact CD1-CE1 3.81Å; Y651-F776 HydrophobicContact CD1-CE1 3.81Å; Y651-F776 HydrophobicContact CE1-CD1 4.12Å; Y651-F776 HydrophobicContact CG-CD1 4.08Å; Y651-F776 HydrophobicContact CG-CE1 4.11Å; Q703-F776 HydrophobicContact CB-CB 4.17Å; Q703-F776 HydrophobicContact CG-CB 3.9Å; Q703-F776 PolarHBondContact NE2-O 2.91Å; L706-F776 HydrophobicContact CB-CD1 4.15Å; L706-F776 HydrophobicContact CB-CD2 4.04Å; L706-F776 HydrophobicContact CB-CE1 3.91Å; L706-F776 HydrophobicContact CB-CE2 3.8Å; L706-F776 HydrophobicContact CB-CG 4.21Å; L706-F776 HydrophobicContact CB-CZ 3.72Å; L706-F776 HydrophobicContact CD1-CD1 3.95Å; L706-F776 HydrophobicContact CD1-CE1 4.31Å; L706-F776 HydrophobicContact CD1-CG 4.23Å; S707-F776 WeakPolarHBondContact OG-CD2 3.46Å; S707-F776 VanDerWaalsContact OG-CE2 3.29Å; S707-F776 WeakPolarHBondContact OG-CE2 3.45Å; H710-F776 HydrophobicContact CB-CZ 4.22Å; H710-F776 AromaticContact CD2-CZ 3.99Å; S772-F776 WeakPolarHBondContact O-CA 3.22Å; S772-F776 WeakPolarHBondContact O-CB 3.46Å; S772-F776 PolarHBondContact O-N 3.47Å; F776-S778 PolarHBondContact O-N 2.92Å; F776-S778 VanDerWaalsContact O-N 3.13Å; F776-I779 HydrophobicContact CB-CD1 3.96Å; F776-I779 HydrophobicContact CB-CG1 4.46Å; F776-I779 WeakPolarHBondContact O-CB 3.19Å; F776-I779 WeakPolarHBondContact O-CG1 3.43Å; F776-I779 PolarHBondContact O-N 3.28Å; F776-I779 VanDerWaalsContact O-N 3.08Å
777G86.5Confident90.5Very high44 Ų4457.8 Ų57.845%0.45429%0.294SS..THydrogen-bonded Turntrans-61.8-14.1176.500000115Y773 I779Y773-G777 VanDerWaalsContact O-CA 3.24Å; Y773-G777 WeakPolarHBondContact O-CA 3.43Å; Y773-G777 PolarHBondContact O-N 3.04Å; Y773-G777 VanDerWaalsContact O-N 3.11Å; G777-I779 VanDerWaalsContact C-N 3.26Å; G777-I779 PolarHBondContact O-N 3.02Å
778S88.6Confident90.4Very high70 Ų7051.8 Ų51.849%0.4927%0.268SS..THydrogen-bonded Turntrans-65.5-23.7170.248.10000113.9Y651 F776 R780Y651-S778 PolarHBondContact OH-OG 3.08Å; F776-S778 PolarHBondContact O-N 2.92Å; F776-S778 VanDerWaalsContact O-N 3.13Å; S778-R780 PolarHBondContact O-N 3.12Å; S778-R780 VanDerWaalsContact O-N 3.11Å
779I91.9Very high89.9Confident5 Ų552.3 Ų52.33%0.02627%0.27CS..  trans-75.8101-177.5-55.7177.7000109.1L647 Y651 K699 Q703 L706 F776 G777 I784L647-I779 HydrophobicContact CD1-CD1 4.3Å; L647-I779 HydrophobicContact CD2-CD1 4.04Å; L647-I779 HydrophobicContact CD2-CG1 4.33Å; Y651-I779 HydrophobicContact CE2-CD1 4.28Å; Y651-I779 HydrophobicContact CE2-CG1 4.21Å; K699-I779 WeakPolarHBondContact CD-O 3.42Å; Q703-I779 HydrophobicContact CG-CD1 4.46Å; L706-I779 HydrophobicContact CD1-CD1 3.47Å; L706-I779 VanDerWaalsContact CD1-CD1 3.47Å; F776-I779 HydrophobicContact CB-CD1 3.96Å; F776-I779 HydrophobicContact CB-CG1 4.46Å; F776-I779 WeakPolarHBondContact O-CB 3.19Å; F776-I779 WeakPolarHBondContact O-CG1 3.43Å; F776-I779 PolarHBondContact O-N 3.28Å; F776-I779 VanDerWaalsContact O-N 3.08Å; G777-I779 VanDerWaalsContact C-N 3.26Å; G777-I779 PolarHBondContact O-N 3.02Å; I779-I784 HydrophobicContact CG2-CD1 3.85Å; I779-I784 HydrophobicContact CG2-CG1 3.85Å
780R87.7Confident89.4Confident106 Ų10654.8 Ų54.840%0.428%0.28SS..  trans-93.3151.8178.5-59.7-175.3-56106.718111.5S778 D782 V783 I784S778-R780 PolarHBondContact O-N 3.12Å; S778-R780 VanDerWaalsContact O-N 3.11Å; R780-D782 VanDerWaalsContact C-N 3.29Å; R780-D782 WeakPolarHBondContact CB-OD1 3.43Å; R780-D782 IonicContact CZ-OD1 2.81Å; R780-D782 IonicContact CZ-OD2 3.48Å; R780-D782 VanDerWaalsContact CZ-OD2 3.23Å; R780-D782 IonicContact NE-OD1 2.72Å; R780-D782 IonicContact NH1-OD1 3.63Å; R780-D782 PolarHBondContact NH1-OD1 3.27Å; R780-D782 IonicContact NH1-OD2 3.48Å; R780-D782 PolarHBondContact NH1-OD2 2.8Å; R780-D782 VanDerWaalsContact NH2-CG 3.3Å; R780-D782 IonicContact NH2-OD1 3.42Å; R780-D782 PolarHBondContact NH2-OD1 2.67Å; R780-D782 IonicContact NH2-OD2 2.69Å; R780-D782 PolarHBondContact NH2-OD2 2.94Å; R780-D782 PolarHBondContact O-N 2.97Å; R780-V783 HydrophobicContact CB-CG2 4.33Å; R780-V783 WeakPolarHBondContact O-CB 3.43Å; R780-V783 PolarHBondContact O-N 3.39Å; R780-I784 PolarHBondContact O-N 3.5Å
781A85.9Confident89.3Confident58 Ų5849.9 Ų49.948%0.47926%0.262SS..Hα-helixtrans-63.1-31.2-175.800000113.6V783 I784 E785A781-V783 VanDerWaalsContact C-N 3.31Å; A781-V783 PolarHBondContact O-N 3.2Å; A781-I784 PolarHBondContact O-N 3.03Å; A781-E785 PolarHBondContact O-N 3.43Å
782D83.3Confident89Confident66 Ų6649.5 Ų49.535%0.35326%0.256SS..Hα-helixtrans-71.4-23.6174.865-32.3000113.3R780 Q786R780-D782 VanDerWaalsContact C-N 3.29Å; R780-D782 WeakPolarHBondContact CB-OD1 3.43Å; R780-D782 IonicContact CZ-OD1 2.81Å; R780-D782 IonicContact CZ-OD2 3.48Å; R780-D782 VanDerWaalsContact CZ-OD2 3.23Å; R780-D782 IonicContact NE-OD1 2.72Å; R780-D782 IonicContact NH1-OD1 3.63Å; R780-D782 PolarHBondContact NH1-OD1 3.27Å; R780-D782 IonicContact NH1-OD2 3.48Å; R780-D782 PolarHBondContact NH1-OD2 2.8Å; R780-D782 VanDerWaalsContact NH2-CG 3.3Å; R780-D782 IonicContact NH2-OD1 3.42Å; R780-D782 PolarHBondContact NH2-OD1 2.67Å; R780-D782 IonicContact NH2-OD2 2.69Å; R780-D782 PolarHBondContact NH2-OD2 2.94Å; R780-D782 PolarHBondContact O-N 2.97Å; D782-Q786 WeakPolarHBondContact O-CG 3.47Å; D782-Q786 PolarHBondContact O-N 3.46Å; D782-Q786 PolarHBondContact O-NE2 2.69Å
783V87.8Confident88.5Confident44 Ų4449.6 Ų49.627%0.26726%0.257SS..Hα-helixtrans-74.8-43.7171.2-178.30000110R780 A781 E785 Q786 M787R780-V783 HydrophobicContact CB-CG2 4.33Å; R780-V783 WeakPolarHBondContact O-CB 3.43Å; R780-V783 PolarHBondContact O-N 3.39Å; A781-V783 VanDerWaalsContact C-N 3.31Å; A781-V783 PolarHBondContact O-N 3.2Å; V783-E785 VanDerWaalsContact C-N 3.34Å; V783-E785 PolarHBondContact O-N 2.89Å; V783-Q786 PolarHBondContact O-N 2.79Å; V783-Q786 VanDerWaalsContact O-N 3.17Å; V783-M787 HydrophobicContact CG1-CE 4.02Å; V783-M787 HydrophobicContact CG1-SD 4.26Å; V783-M787 WeakPolarHBondContact O-CG 3.19Å; V783-M787 PolarHBondContact O-N 2.82Å
784I91.5Very high88.3Confident4 Ų452.2 Ų52.22%0.02127%0.266CS..Hα-helixtrans-57.4-46.3174-64.6172.5000110.3K699 F702 I779 R780 A781 Q786 M787 R788K699-I784 HydrophobicContact CB-CD1 3.97Å; K699-I784 HydrophobicContact CG-CD1 4.03Å; F702-I784 HydrophobicContact CD2-CD1 3.87Å; F702-I784 HydrophobicContact CE2-CD1 4.17Å; F702-I784 HydrophobicContact CE2-CG2 3.86Å; F702-I784 HydrophobicContact CZ-CG2 4.33Å; I779-I784 HydrophobicContact CG2-CD1 3.85Å; I779-I784 HydrophobicContact CG2-CG1 3.85Å; R780-I784 PolarHBondContact O-N 3.5Å; A781-I784 PolarHBondContact O-N 3.03Å; I784-Q786 VanDerWaalsContact C-N 3.34Å; I784-Q786 PolarHBondContact O-N 2.82Å; I784-M787 PolarHBondContact O-N 3.33Å; I784-R788 HydrophobicContact CG2-CG 4.22Å; I784-R788 WeakPolarHBondContact O-CB 3.39Å; I784-R788 VanDerWaalsContact O-CG 3.26Å; I784-R788 WeakPolarHBondContact O-CG 3.29Å; I784-R788 PolarHBondContact O-N 3.34Å
785E86.6Confident88.1Confident97 Ų9746.3 Ų46.345%0.45324%0.24SC..Hα-helixtrans-63-34.5177.2-72.6-58.1128.700113.9A781 V783 R788 F789A781-E785 PolarHBondContact O-N 3.43Å; V783-E785 VanDerWaalsContact C-N 3.34Å; V783-E785 PolarHBondContact O-N 2.89Å; E785-R788 PolarHBondContact O-N 2.8Å; E785-R788 VanDerWaalsContact OE1-CD 3.23Å; E785-R788 WeakPolarHBondContact OE1-CD 3.48Å; E785-R788 IonicContact OE1-CZ 2.77Å; E785-R788 IonicContact OE1-NE 2.64Å; E785-R788 IonicContact OE1-NH1 2.75Å; E785-R788 PolarHBondContact OE1-NH1 2.86Å; E785-F789 PolarHBondContact O-N 2.88Å; E785-F789 VanDerWaalsContact O-N 3.1Å
786Q84Confident87.7Confident116 Ų11641.9 Ų41.954%0.54222%0.221SC..Hα-helixtrans-67.7-43.8174.2-76.5164.970.900111.7D782 V783 I784 F789 K790D782-Q786 WeakPolarHBondContact O-CG 3.47Å; D782-Q786 PolarHBondContact O-N 3.46Å; D782-Q786 PolarHBondContact O-NE2 2.69Å; V783-Q786 PolarHBondContact O-N 2.79Å; V783-Q786 VanDerWaalsContact O-N 3.17Å; I784-Q786 VanDerWaalsContact C-N 3.34Å; I784-Q786 PolarHBondContact O-N 2.82Å; Q786-F789 PolarHBondContact O-N 3.42Å; Q786-K790 PolarHBondContact O-N 2.79Å
787M90.4Very high87.1Confident26 Ų2642.6 Ų42.613%0.12822%0.224CC..Hα-helixtrans-64.8-41174.5-65.9176165.900111.1V643 L647 V783 I784 F789 K790 Q791V643-M787 HydrophobicContact CB-CB 4.32Å; V643-M787 HydrophobicContact CG1-CB 3.82Å; V643-M787 HydrophobicContact CG1-SD 3.95Å; V643-M787 HydrophobicContact CG2-CB 3.76Å; L647-M787 HydrophobicContact CD2-CE 3.99Å; L647-M787 HydrophobicContact CD2-SD 3.97Å; L647-M787 HydrophobicContact CG-SD 4.07Å; V783-M787 HydrophobicContact CG1-CE 4.02Å; V783-M787 HydrophobicContact CG1-SD 4.26Å; V783-M787 WeakPolarHBondContact O-CG 3.19Å; V783-M787 PolarHBondContact O-N 2.82Å; I784-M787 PolarHBondContact O-N 3.33Å; M787-F789 VanDerWaalsContact C-N 3.34Å; M787-F789 PolarHBondContact O-N 3.05Å; M787-K790 WeakPolarHBondContact O-CB 3.32Å; M787-K790 PolarHBondContact O-N 3.1Å; M787-Q791 WeakPolarHBondContact O-CB 3.34Å; M787-Q791 VanDerWaalsContact O-CG 3.28Å; M787-Q791 WeakPolarHBondContact O-CG 3.44Å; M787-Q791 PolarHBondContact O-N 3.19Å
788R90.6Very high87.1Confident15 Ų1544.6 Ų44.66%0.05723%0.228CC..Hα-helixtrans-55.9-43.1174.4-79.3173.2161.8-169.6-12.8112.6V639 D640 V643 I784 E785 R792V639-R788 HydrophobicContact CG1-CB 4.03Å; V639-R788 HydrophobicContact CG1-CG 4.04Å; V639-R788 WeakPolarHBondContact CG1-O 3.32Å; D640-R788 VanDerWaalsContact CG-NH2 3.35Å; D640-R788 WeakPolarHBondContact OD1-CG 3.18Å; D640-R788 IonicContact OD1-CZ 2.87Å; D640-R788 IonicContact OD1-NE 2.8Å; D640-R788 PolarHBondContact OD1-NE 2.97Å; D640-R788 IonicContact OD1-NH2 3.57Å; D640-R788 PolarHBondContact OD1-NH2 3.38Å; D640-R788 IonicContact OD2-CZ 2.83Å; D640-R788 IonicContact OD2-NE 3.47Å; D640-R788 PolarHBondContact OD2-NE 3.02Å; D640-R788 IonicContact OD2-NH2 3.43Å; D640-R788 PolarHBondContact OD2-NH2 3.48Å; V643-R788 HydrophobicContact CG2-CG 4.03Å; I784-R788 HydrophobicContact CG2-CG 4.22Å; I784-R788 WeakPolarHBondContact O-CB 3.39Å; I784-R788 VanDerWaalsContact O-CG 3.26Å; I784-R788 WeakPolarHBondContact O-CG 3.29Å; I784-R788 PolarHBondContact O-N 3.34Å; E785-R788 PolarHBondContact O-N 2.8Å; E785-R788 VanDerWaalsContact OE1-CD 3.23Å; E785-R788 WeakPolarHBondContact OE1-CD 3.48Å; E785-R788 IonicContact OE1-CZ 2.77Å; E785-R788 IonicContact OE1-NE 2.64Å; E785-R788 IonicContact OE1-NH1 2.75Å; E785-R788 PolarHBondContact OE1-NH1 2.86Å; R788-R792 WeakPolarHBondContact O-CB 3.38Å; R788-R792 PolarHBondContact O-N 2.75Å
789F85.1Confident86.8Confident20 Ų2042.7 Ų42.79%0.08821%0.212CC..Hα-helixtrans-62.1-50.1175.8173.4-103.3000111.9L206 E243 A246 N247 E785 Q786 M787 Q791 R792 L793L206-F789 HydrophobicContact CB-CE1 4.24Å; L206-F789 HydrophobicContact CB-CZ 4.38Å; L206-F789 HydrophobicContact CD2-CE1 4.13Å; L206-F789 HydrophobicContact CD2-CZ 3.92Å; L206-F789 HydrophobicContact CG-CE1 4.48Å; E243-F789 HydrophobicContact CB-CD1 4.47Å; E243-F789 HydrophobicContact CB-CE1 4.13Å; E243-F789 HydrophobicContact CB-CE2 4.25Å; E243-F789 HydrophobicContact CB-CZ 4.02Å; E243-F789 HydrophobicContact CG-CD1 4.1Å; E243-F789 HydrophobicContact CG-CE1 3.75Å; E243-F789 HydrophobicContact CG-CZ 4.11Å; E243-F789 VanDerWaalsContact O-CE2 3.28Å; E243-F789 WeakPolarHBondContact O-CE2 3.38Å; A246-F789 HydrophobicContact CB-CE2 4.08Å; A246-F789 HydrophobicContact CB-CZ 3.94Å; N247-F789 HydrophobicContact CB-CD2 4.1Å; N247-F789 HydrophobicContact CB-CE2 4.01Å; E785-F789 PolarHBondContact O-N 2.88Å; E785-F789 VanDerWaalsContact O-N 3.1Å; Q786-F789 PolarHBondContact O-N 3.42Å; M787-F789 VanDerWaalsContact C-N 3.34Å; M787-F789 PolarHBondContact O-N 3.05Å; F789-Q791 VanDerWaalsContact C-N 3.32Å; F789-Q791 PolarHBondContact O-N 3.46Å; F789-R792 PolarHBondContact O-N 2.92Å; F789-L793 HydrophobicContact CE1-CD1 3.91Å; F789-L793 HydrophobicContact CZ-CD1 3.8Å; F789-L793 HydrophobicContact CZ-CG 4.3Å; F789-L793 PolarHBondContact O-N 2.87Å
790K85.1Confident86.3Confident57 Ų5742.7 Ų42.725%0.24821%0.212CC..Hα-helixtrans-57.7-42.5178.5-176.8-174.2-175.3-176.60112.5E207 E646 Q786 M787E207-K790 VanDerWaalsContact OE1-CE 3.29Å; E207-K790 WeakPolarHBondContact OE1-CE 3.35Å; E207-K790 IonicContact OE1-NZ 2.84Å; E646-K790 IonicContact OE1-NZ 3.52Å; E646-K790 PolarHBondContact OE1-NZ 2.91Å; E646-K790 IonicContact OE2-NZ 2.61Å; Q786-K790 PolarHBondContact O-N 2.79Å; M787-K790 WeakPolarHBondContact O-CB 3.32Å; M787-K790 PolarHBondContact O-N 3.1Å
791Q90.5Very high86.2Confident13 Ų1339.6 Ų39.66%0.06120%0.203CC..Hα-helixtrans-80.5-30.1-178-60.6-69.67.500112.3V639 G642 V643 E646 M787 F789 L793 R794 V795V639-Q791 HydrophobicContact CG1-CB 4.32Å; G642-Q791 PolarHBondContact O-NE2 3.43Å; G642-Q791 VanDerWaalsContact O-NE2 3.09Å; V643-Q791 HydrophobicContact CG2-CB 4.42Å; V643-Q791 HydrophobicContact CG2-CG 4.14Å; E646-Q791 PolarHBondContact OE2-NE2 2.83Å; M787-Q791 WeakPolarHBondContact O-CB 3.34Å; M787-Q791 VanDerWaalsContact O-CG 3.28Å; M787-Q791 WeakPolarHBondContact O-CG 3.44Å; M787-Q791 PolarHBondContact O-N 3.19Å; F789-Q791 VanDerWaalsContact C-N 3.32Å; F789-Q791 PolarHBondContact O-N 3.46Å; Q791-L793 VanDerWaalsContact C-N 3.34Å; Q791-L793 PolarHBondContact O-N 3.3Å; Q791-R794 PolarHBondContact O-N 2.96Å; Q791-R794 VanDerWaalsContact O-N 3.1Å; Q791-R794 VanDerWaalsContact OE1-NH1 3.11Å; Q791-V795 WeakPolarHBondContact O-CG2 3.47Å; Q791-V795 PolarHBondContact O-N 3.41Å
792R88.3Confident86.1Confident22 Ų2239.2 Ų39.28%0.08320%0.195CC..Hα-helixtrans-59.9-40172.9-174.3177.8-66.2117.49.2112.9N247 V639 R788 F789 R794 I796N247-R792 WeakPolarHBondContact OD1-CD 3.48Å; N247-R792 PolarHBondContact OD1-NH1 3.35Å; V639-R792 HydrophobicContact CG1-CB 4.42Å; V639-R792 HydrophobicContact CG2-CB 3.84Å; V639-R792 HydrophobicContact CG2-CG 4.25Å; R788-R792 WeakPolarHBondContact O-CB 3.38Å; R788-R792 PolarHBondContact O-N 2.75Å; F789-R792 PolarHBondContact O-N 2.92Å; R792-R794 VanDerWaalsContact C-N 3.31Å; R792-R794 PolarHBondContact O-N 3.26Å; R792-I796 HydrophobicContact CG-CD1 3.57Å; R792-I796 HydrophobicContact CG-CG1 4.36Å; R792-I796 WeakPolarHBondContact O-CB 3.22Å; R792-I796 WeakPolarHBondContact O-CG1 3.42Å; R792-I796 PolarHBondContact O-N 2.69Å; R792-I796 VanDerWaalsContact O-N 3.15Å
793L85.2Confident86.1Confident2 Ų236.8 Ų36.81%0.0118%0.183CC..Hα-helixtrans-56.8-45.3172.4-72.7169.2000111.7L206 M250 F789 Q791 Q797L206-L793 HydrophobicContact CB-CD1 4.07Å; M250-L793 HydrophobicContact CE-CD2 3.79Å; M250-L793 HydrophobicContact CG-CD2 3.8Å; M250-L793 HydrophobicContact SD-CD2 4.08Å; F789-L793 HydrophobicContact CE1-CD1 3.91Å; F789-L793 HydrophobicContact CZ-CD1 3.8Å; F789-L793 HydrophobicContact CZ-CG 4.3Å; F789-L793 PolarHBondContact O-N 2.87Å; Q791-L793 VanDerWaalsContact C-N 3.34Å; Q791-L793 PolarHBondContact O-N 3.3Å; L793-Q797 WeakPolarHBondContact O-CG 3.42Å; L793-Q797 PolarHBondContact O-N 3.36Å
794R85.6Confident86.1Confident90 Ų9035.8 Ų35.834%0.3417%0.174SC..Hα-helixtrans-69.6-52.8-178.8-67.2165.5171.6177.1-4.7111.8Q791 R792 I796 Q797 T798Q791-R794 PolarHBondContact O-N 2.96Å; Q791-R794 VanDerWaalsContact O-N 3.1Å; Q791-R794 VanDerWaalsContact OE1-NH1 3.11Å; R792-R794 VanDerWaalsContact C-N 3.31Å; R792-R794 PolarHBondContact O-N 3.26Å; R794-I796 VanDerWaalsContact C-N 3.32Å; R794-I796 PolarHBondContact O-N 2.93Å; R794-Q797 PolarHBondContact O-N 3.38Å; R794-Q797 VanDerWaalsContact O-N 3.15Å; R794-T798 PolarHBondContact O-N 3.45Å; R794-T798 PolarHBondContact O-OG1 3.23Å; R794-T798 VanDerWaalsContact O-OG1 3.1Å
795V88.3Confident85.8Confident18 Ų1841.1 Ų41.111%0.10919%0.194CC..Hα-helixtrans-56.2-44.2-177.81680000111.7V635 L638 V639 Q791 T798 I799V635-V795 HydrophobicContact CG1-CG1 4.13Å; L638-V795 HydrophobicContact CB-CG1 3.66Å; L638-V795 HydrophobicContact CB-CG2 4.28Å; L638-V795 HydrophobicContact CD1-CG1 4.33Å; V639-V795 HydrophobicContact CG2-CB 4Å; V639-V795 HydrophobicContact CG2-CG1 4.2Å; V639-V795 HydrophobicContact CG2-CG2 4.03Å; Q791-V795 WeakPolarHBondContact O-CG2 3.47Å; Q791-V795 PolarHBondContact O-N 3.41Å; V795-T798 PolarHBondContact O-N 3.02Å; V795-I799 HydrophobicContact CG1-CD1 3.81Å; V795-I799 HydrophobicContact CG1-CG1 4.46Å; V795-I799 VanDerWaalsContact O-CG1 3.29Å; V795-I799 WeakPolarHBondContact O-CG1 3.38Å; V795-I799 PolarHBondContact O-N 2.83Å
796I83.6Confident85.8Confident1 Ų139 Ų391%0.00519%0.186CC..Hα-helixtrans-67.6-40.3180-66.3169.8000111.3M250 L253 L254 V635 R792 R794 I799 E800M250-I796 HydrophobicContact CB-CD1 3.76Å; M250-I796 HydrophobicContact CG-CD1 4.45Å; M250-I796 HydrophobicContact SD-CB 4.26Å; M250-I796 HydrophobicContact SD-CD1 4.31Å; M250-I796 HydrophobicContact SD-CG2 4.03Å; L253-I796 HydrophobicContact CB-CG2 4.31Å; L253-I796 HydrophobicContact CD1-CG2 4.19Å; L254-I796 HydrophobicContact CD1-CD1 3.72Å; L254-I796 HydrophobicContact CD1-CG1 4.07Å; L254-I796 HydrophobicContact CD2-CG1 4.31Å; L254-I796 HydrophobicContact CG-CD1 4.21Å; L254-I796 HydrophobicContact CG-CG1 4.38Å; V635-I796 HydrophobicContact CG1-CG1 4.26Å; R792-I796 HydrophobicContact CG-CD1 3.57Å; R792-I796 HydrophobicContact CG-CG1 4.36Å; R792-I796 WeakPolarHBondContact O-CB 3.22Å; R792-I796 WeakPolarHBondContact O-CG1 3.42Å; R792-I796 PolarHBondContact O-N 2.69Å; R792-I796 VanDerWaalsContact O-N 3.15Å; R794-I796 VanDerWaalsContact C-N 3.32Å; R794-I796 PolarHBondContact O-N 2.93Å; I796-I799 PolarHBondContact O-N 2.84Å; I796-E800 WeakPolarHBondContact O-CB 3.5Å; I796-E800 WeakPolarHBondContact O-CG 3.5Å; I796-E800 PolarHBondContact O-N 3.28Å
797Q82.9Confident85.8Confident20 Ų2033.5 Ų33.59%0.09316%0.161CC..Hα-helixtrans-65-40.5174.3-63.5-74.9-12.600111.3A201 I203 T204 L793 R794 E800 D801A201-Q797 PolarHBondContact O-NE2 3.06Å; I203-Q797 PolarHBondContact O-NE2 3.22Å; T204-Q797 HydrophobicContact CG2-CG 4.28Å; L793-Q797 WeakPolarHBondContact O-CG 3.42Å; L793-Q797 PolarHBondContact O-N 3.36Å; R794-Q797 PolarHBondContact O-N 3.38Å; R794-Q797 VanDerWaalsContact O-N 3.15Å; Q797-E800 PolarHBondContact O-N 3.01Å; Q797-D801 WeakPolarHBondContact O-CB 3.13Å; Q797-D801 PolarHBondContact O-N 3.45Å
798T85.6Confident85.7Confident86 Ų8632.4 Ų32.453%0.52816%0.155SC..Hα-helixtrans-64.9-39.6176-59.20000112.9R794 V795 T802R794-T798 PolarHBondContact O-N 3.45Å; R794-T798 PolarHBondContact O-OG1 3.23Å; R794-T798 VanDerWaalsContact O-OG1 3.1Å; V795-T798 PolarHBondContact O-N 3.02Å; T798-T802 WeakPolarHBondContact O-CB 3.43Å; T798-T802 PolarHBondContact O-N 3.16Å; T798-T802 PolarHBondContact O-OG1 2.92Å
799I83.2Confident85.5Confident30 Ų3038.9 Ų38.915%0.15418%0.18CC..Hα-helixtrans-60.3-52.5172.3-72.3166.4000109.1V635 L638 V795 I796 D801 T802 T803V635-I799 HydrophobicContact CG2-CD1 4.17Å; L638-I799 HydrophobicContact CD1-CD1 4.22Å; V795-I799 HydrophobicContact CG1-CD1 3.81Å; V795-I799 HydrophobicContact CG1-CG1 4.46Å; V795-I799 VanDerWaalsContact O-CG1 3.29Å; V795-I799 WeakPolarHBondContact O-CG1 3.38Å; V795-I799 PolarHBondContact O-N 2.83Å; I796-I799 PolarHBondContact O-N 2.84Å; I799-D801 PolarHBondContact O-N 2.87Å; I799-T802 CarbonylContact O-C 3.59Å; I799-T802 WeakPolarHBondContact O-CA 3.31Å; I799-T802 WeakPolarHBondContact O-CB 3.13Å; I799-T802 PolarHBondContact O-N 2.84Å; I799-T803 PolarHBondContact O-N 3.21Å; I799-T803 PolarHBondContact O-OG1 2.9Å
800E81.5Confident85.5Confident6 Ų639.4 Ų39.43%0.02819%0.185CC..Hα-helixtrans-68.5-30.6-176.2-71.2-61.1138.600113.9R633 I796 Q797 T802 K804 K830 Q858 Y859R633-E800 IonicContact NH1-OE1 3.86Å; R633-E800 PolarHBondContact NH1-OE1 3.38Å; R633-E800 VanDerWaalsContact NH1-OE1 3.13Å; I796-E800 WeakPolarHBondContact O-CB 3.5Å; I796-E800 WeakPolarHBondContact O-CG 3.5Å; I796-E800 PolarHBondContact O-N 3.28Å; Q797-E800 PolarHBondContact O-N 3.01Å; E800-T802 VanDerWaalsContact C-N 3.31Å; E800-K804 WeakPolarHBondContact O-CB 3.31Å; E800-K804 PolarHBondContact O-N 3.16Å; E800-K830 IonicContact OE2-NZ 2.92Å; E800-K830 PolarHBondContact OE2-NZ 3.4Å; E800-Q858 PolarHBondContact OE1-NE2 2.98Å; E800-Q858 VanDerWaalsContact OE1-NE2 3.09Å; E800-Y859 PolarHBondContact OE2-OH 3.28Å
801D84.5Confident85.6Confident40 Ų4036.7 Ų36.721%0.21417%0.173CC..Hα-helixtrans-71.8-25.1168.7-80.7-45.5000113R223 Q797 I799 K804 R805R223-D801 IonicContact CZ-OD1 2.66Å; R223-D801 IonicContact CZ-OD2 3.95Å; R223-D801 VanDerWaalsContact CZ-OD2 3.28Å; R223-D801 VanDerWaalsContact NH1-CG 3.32Å; R223-D801 IonicContact NH1-OD1 2.81Å; R223-D801 PolarHBondContact NH1-OD1 2.85Å; R223-D801 IonicContact NH1-OD2 3.08Å; R223-D801 PolarHBondContact NH1-OD2 3.05Å; R223-D801 VanDerWaalsContact NH1-OD2 3.14Å; R223-D801 IonicContact NH2-OD1 2.8Å; R223-D801 PolarHBondContact NH2-OD1 2.92Å; R223-D801 IonicContact NH2-OD2 3.88Å; R223-D801 PolarHBondContact NH2-OD2 2.97Å; Q797-D801 WeakPolarHBondContact O-CB 3.13Å; Q797-D801 PolarHBondContact O-N 3.45Å; I799-D801 PolarHBondContact O-N 2.87Å; D801-K804 IonicContact OD1-NZ 2.7Å; D801-R805 WeakPolarHBondContact O-CB 3.32Å; D801-R805 VanDerWaalsContact O-CG 3.23Å; D801-R805 WeakPolarHBondContact O-CG 3.47Å; D801-R805 PolarHBondContact O-N 2.91Å; D801-R805 VanDerWaalsContact O-N 3.16Å; D801-R805 PolarHBondContact O-NE 2.71Å
802T85.6Confident85.4Confident51 Ų5138.3 Ų38.331%0.31318%0.183SC..Hα-helixtrans-77.6-41.7172.7-550000110.6T798 I799 E800 R805 N806T798-T802 WeakPolarHBondContact O-CB 3.43Å; T798-T802 PolarHBondContact O-N 3.16Å; T798-T802 PolarHBondContact O-OG1 2.92Å; I799-T802 CarbonylContact O-C 3.59Å; I799-T802 WeakPolarHBondContact O-CA 3.31Å; I799-T802 WeakPolarHBondContact O-CB 3.13Å; I799-T802 PolarHBondContact O-N 2.84Å; E800-T802 VanDerWaalsContact C-N 3.31Å; T802-R805 PolarHBondContact O-N 3Å; T802-R805 PolarHBondContact OG1-NH2 2.59Å; T802-N806 WeakPolarHBondContact O-CB 3.35Å; T802-N806 PolarHBondContact O-N 3.36Å; T802-N806 PolarHBondContact O-ND2 3.45Å
803T83Confident85.1Confident15 Ų1542.8 Ų42.89%0.09221%0.213CC..Hα-helixtrans-55.7-54.4169.1-57.20000110.8I799 R805 N806 V807I799-T803 PolarHBondContact O-N 3.21Å; I799-T803 PolarHBondContact O-OG1 2.9Å; T803-R805 PolarHBondContact O-N 3.43Å; T803-N806 PolarHBondContact O-N 3.27Å; T803-N806 VanDerWaalsContact O-N 3.13Å; T803-V807 HydrophobicContact CG2-CG2 4.4Å; T803-V807 WeakPolarHBondContact O-CG2 3.49Å; T803-V807 PolarHBondContact O-N 2.88Å
804K86.1Confident84.9Confident22 Ų2246 Ų4610%0.09623%0.229CC..Hα-helixtrans-53.3-52.8177.7180-176.961.7155.70112.2E800 D801 N806 V807 V808 E823 Y826E800-K804 WeakPolarHBondContact O-CB 3.31Å; E800-K804 PolarHBondContact O-N 3.16Å; D801-K804 IonicContact OD1-NZ 2.7Å; K804-N806 PolarHBondContact O-N 2.91Å; K804-V807 WeakPolarHBondContact O-CB 3.49Å; K804-V807 PolarHBondContact O-N 2.93Å; K804-V808 HydrophobicContact CG-CG2 4.37Å; K804-V808 WeakPolarHBondContact O-CG2 3.36Å; K804-V808 PolarHBondContact O-N 2.97Å; K804-E823 HydrophobicContact CD-CB 4.08Å; K804-E823 HydrophobicContact CD-CG 4.02Å; K804-E823 VanDerWaalsContact CE-CD 3.42Å; K804-E823 WeakPolarHBondContact CE-OE1 3.49Å; K804-E823 HydrophobicContact CG-CG 4.35Å; K804-E823 IonicContact NZ-OE1 3.21Å; K804-E823 PolarHBondContact NZ-OE1 3.24Å; K804-E823 IonicContact NZ-OE2 3.73Å; K804-E823 PolarHBondContact NZ-OE2 3.36Å; K804-Y826 HydrophobicContact CB-CD1 3.89Å; K804-Y826 HydrophobicContact CB-CE1 3.7Å; K804-Y826 HydrophobicContact CD-CD1 4.01Å; K804-Y826 HydrophobicContact CG-CD1 3.56Å; K804-Y826 HydrophobicContact CG-CE1 3.94Å; K804-Y826 HydrophobicContact CG-CG 4.18Å
805R86.6Confident84.8Confident116 Ų11642.7 Ų42.744%0.43822%0.218SC..Hα-helixtrans-63.6-29.9-178.6-72.6175.7-61.3150.13.6112.7D801 T802 T803 R809D801-R805 WeakPolarHBondContact O-CB 3.32Å; D801-R805 VanDerWaalsContact O-CG 3.23Å; D801-R805 WeakPolarHBondContact O-CG 3.47Å; D801-R805 PolarHBondContact O-N 2.91Å; D801-R805 VanDerWaalsContact O-N 3.16Å; D801-R805 PolarHBondContact O-NE 2.71Å; T802-R805 PolarHBondContact O-N 3Å; T802-R805 PolarHBondContact OG1-NH2 2.59Å; T803-R805 PolarHBondContact O-N 3.43Å; R805-R809 WeakPolarHBondContact O-CB 3.49Å; R805-R809 PolarHBondContact O-N 3.07Å; R805-R809 VanDerWaalsContact O-N 3.07Å
806N86.1Confident84.7Confident54 Ų5444.9 Ų44.929%0.28924%0.238SC..Hα-helixtrans-75.3-42.8174.8-69.1-13.1000111.8T802 T803 K804 R809 T810 Y855T802-N806 WeakPolarHBondContact O-CB 3.35Å; T802-N806 PolarHBondContact O-N 3.36Å; T802-N806 PolarHBondContact O-ND2 3.45Å; T803-N806 PolarHBondContact O-N 3.27Å; T803-N806 VanDerWaalsContact O-N 3.13Å; K804-N806 PolarHBondContact O-N 2.91Å; N806-R809 PolarHBondContact OD1-NH1 3.21Å; N806-T810 PolarHBondContact O-N 3.45Å; N806-T810 PolarHBondContact O-OG1 2.84Å; N806-Y855 VanDerWaalsContact C-CE2 3.47Å; N806-Y855 HydrophobicContact CB-CD2 3.91Å; N806-Y855 HydrophobicContact CB-CE2 4.05Å; N806-Y855 HydrophobicContact CB-CG 4.24Å; N806-Y855 WeakPolarHBondContact O-CE2 3.48Å
807V85.2Confident84.9Confident0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-54.4-54.8171.2169.20000110.7T803 K804 R809 T810 I811 Y826 Y855 L856 F903T803-V807 HydrophobicContact CG2-CG2 4.4Å; T803-V807 WeakPolarHBondContact O-CG2 3.49Å; T803-V807 PolarHBondContact O-N 2.88Å; K804-V807 WeakPolarHBondContact O-CB 3.49Å; K804-V807 PolarHBondContact O-N 2.93Å; V807-R809 PolarHBondContact O-N 3.49Å; V807-T810 PolarHBondContact O-N 3.49Å; V807-I811 HydrophobicContact CG1-CD1 3.77Å; V807-I811 PolarHBondContact O-N 2.84Å; V807-I811 VanDerWaalsContact O-N 3.12Å; V807-Y826 HydrophobicContact CB-CD2 4.46Å; V807-Y826 HydrophobicContact CB-CE2 4.11Å; V807-Y826 HydrophobicContact CG1-CD2 3.84Å; V807-Y826 HydrophobicContact CG1-CE2 3.8Å; V807-Y826 HydrophobicContact CG2-CE2 3.91Å; V807-Y855 HydrophobicContact CB-CD2 4.46Å; V807-Y855 HydrophobicContact CG2-CD2 3.79Å; V807-Y855 WeakPolarHBondContact CG2-O 3.23Å; V807-L856 HydrophobicContact CB-CD2 4.26Å; V807-L856 HydrophobicContact CG1-CD2 4.03Å; V807-L856 HydrophobicContact CG2-CD2 4.24Å; V807-F903 HydrophobicContact CG1-CD1 3.43Å; V807-F903 VanDerWaalsContact CG1-CD1 3.43Å; V807-F903 HydrophobicContact CG1-CE1 3.85Å; V807-F903 HydrophobicContact CG1-CG 4.45Å
808V87.7Confident85.2Confident3 Ų346.6 Ų46.62%0.01825%0.252CS..Hα-helixtrans-66.6-39.2-175.4172.60000111.9K804 T810 I811 V812 I819 L822 E823K804-V808 HydrophobicContact CG-CG2 4.37Å; K804-V808 WeakPolarHBondContact O-CG2 3.36Å; K804-V808 PolarHBondContact O-N 2.97Å; V808-T810 PolarHBondContact O-N 3.18Å; V808-I811 PolarHBondContact O-N 3.08Å; V808-V812 WeakPolarHBondContact O-CB 3.2Å; V808-V812 WeakPolarHBondContact O-CG1 3.36Å; V808-V812 PolarHBondContact O-N 3.38Å; V808-I819 HydrophobicContact CG1-CG2 4.02Å; V808-L822 HydrophobicContact CB-CB 4.43Å; V808-L822 HydrophobicContact CG1-CB 3.69Å; V808-L822 HydrophobicContact CG1-CD1 4.11Å; V808-L822 HydrophobicContact CG2-CB 4Å; V808-E823 HydrophobicContact CG1-CG 4.37Å; V808-E823 HydrophobicContact CG2-CG 4.12Å
809R86.8Confident85.4Confident151 Ų15147.1 Ų47.157%0.5725%0.25SS*.Hα-helixtrans-60-31.4175.7-172.3-175.5-60.3105.6-2.2112.9R805 N806 V807R805-R809 WeakPolarHBondContact O-CB 3.49Å; R805-R809 PolarHBondContact O-N 3.07Å; R805-R809 VanDerWaalsContact O-N 3.07Å; N806-R809 PolarHBondContact OD1-NH1 3.21Å; V807-R809 PolarHBondContact O-N 3.49Å
810T84.5Confident85.6Confident31 Ų3151.4 Ų51.419%0.1927%0.273CS..Hα-helixtrans-85.2-30.7-179.4-56.50000112.5N806 V807 V808 T813 Y855 L856 W1000N806-T810 PolarHBondContact O-N 3.45Å; N806-T810 PolarHBondContact O-OG1 2.84Å; V807-T810 PolarHBondContact O-N 3.49Å; V808-T810 PolarHBondContact O-N 3.18Å; T810-T813 PolarHBondContact O-OG1 3.42Å; T810-T813 VanDerWaalsContact O-OG1 3.06Å; T810-Y855 PolarHBondContact OG1-OH 2.76Å; T810-L856 HydrophobicContact CG2-CD1 4.13Å; T810-W1000 HydrophobicContact CG2-CH2 4.37Å; T810-W1000 HydrophobicContact CG2-CZ2 3.83Å
811I86.2Confident86Confident0 Ų053.3 Ų53.30%028%0.282CS..Hα-helixtrans-86.5-28.8-179.3-65.5171.2000112.9V807 V808 T813 E814 T815 L822 L856 F903 R904 I907V807-I811 HydrophobicContact CG1-CD1 3.77Å; V807-I811 PolarHBondContact O-N 2.84Å; V807-I811 VanDerWaalsContact O-N 3.12Å; V808-I811 PolarHBondContact O-N 3.08Å; I811-T813 PolarHBondContact O-N 3.25Å; I811-T813 VanDerWaalsContact O-N 3.15Å; I811-E814 PolarHBondContact O-N 2.83Å; I811-T815 HydrophobicContact CG2-CG2 3.74Å; I811-T815 PolarHBondContact O-N 3.29Å; I811-T815 PolarHBondContact O-OG1 3.17Å; I811-L822 HydrophobicContact CG2-CD2 4.13Å; I811-L856 HydrophobicContact CD1-CD2 3.93Å; I811-L856 HydrophobicContact CG1-CD2 4.08Å; I811-F903 HydrophobicContact CD1-CD1 3.46Å; I811-F903 VanDerWaalsContact CD1-CD1 3.46Å; I811-F903 HydrophobicContact CD1-CE1 3.86Å; I811-R904 HydrophobicContact CD1-CB 4.09Å; I811-R904 HydrophobicContact CD1-CG 4.48Å; I811-R904 HydrophobicContact CG1-CB 4.45Å; I811-R904 HydrophobicContact CG1-CG 4.32Å; I811-I907 HydrophobicContact CG2-CB 4.44Å; I811-I907 HydrophobicContact CG2-CG2 3.98Å
812V86.5Confident86.3Confident46 Ų4651.4 Ų51.428%0.27927%0.272SS..THydrogen-bonded Turntrans-64.7-18.7179.873.40000113.6V808 I819 L822V808-V812 WeakPolarHBondContact O-CB 3.2Å; V808-V812 WeakPolarHBondContact O-CG1 3.36Å; V808-V812 PolarHBondContact O-N 3.38Å; V812-I819 HydrophobicContact CG2-CG1 3.91Å; V812-L822 HydrophobicContact CB-CD1 3.69Å; V812-L822 HydrophobicContact CG2-CD1 3.95Å
813T81.9Confident86.5Confident117 Ų11751.1 Ų51.172%0.71827%0.267SS*.THydrogen-bonded Turntrans-83-10172.543.70000114.1T810 I811T810-T813 PolarHBondContact O-OG1 3.42Å; T810-T813 VanDerWaalsContact O-OG1 3.06Å; I811-T813 PolarHBondContact O-N 3.25Å; I811-T813 VanDerWaalsContact O-N 3.15Å
814E81.3Confident86.7Confident70 Ų7053.9 Ų53.933%0.32728%0.279SS..THydrogen-bonded Turntrans-111.9-10.2-175.3-56.1-170.2146.500112.9I811 R904I811-E814 PolarHBondContact O-N 2.83Å; E814-R904 VanDerWaalsContact CD-NH2 3.3Å; E814-R904 IonicContact OE1-CZ 2.78Å; E814-R904 IonicContact OE1-NE 2.79Å; E814-R904 IonicContact OE1-NH2 3.88Å; E814-R904 PolarHBondContact OE1-NH2 2.9Å; E814-R904 IonicContact OE2-CZ 3.12Å; E814-R904 IonicContact OE2-NE 3.13Å; E814-R904 PolarHBondContact OE2-NE 3.39Å; E814-R904 IonicContact OE2-NH2 3.85Å; E814-R904 PolarHBondContact OE2-NH2 3.12Å; E814-R904 VanDerWaalsContact OE2-NH2 3.09Å
815T85Confident86.9Confident20 Ų2053 Ų5312%0.12328%0.275CS..SBendtrans-136.1162.2-165.560.80000112.1I811 I907 N908I811-T815 HydrophobicContact CG2-CG2 3.74Å; I811-T815 PolarHBondContact O-N 3.29Å; I811-T815 PolarHBondContact O-OG1 3.17Å; T815-I907 HydrophobicContact CG2-CG2 3.9Å; T815-N908 WeakPolarHBondContact CG2-OD1 3.35Å
816A84.7Confident87Confident63 Ų6347.8 Ų47.852%0.52126%0.256SS..SBendtrans-89.3-5.5-175.700000114.7H915A816-H915 HydrophobicContact CB-CB 3.61Å
817F88.7Confident87Confident6 Ų648.3 Ų48.33%0.02626%0.261CS..SBendtrans-74.3149.3-179.4-63.7-70.9000112.5E821 L822 L825 I907 L910 C914 H915 V1247F817-E821 HydrophobicContact CB-CB 4.35Å; F817-E821 HydrophobicContact CD1-CB 4.47Å; F817-L822 HydrophobicContact CB-CD1 4.32Å; F817-L822 HydrophobicContact CB-CD2 3.79Å; F817-L822 HydrophobicContact CB-CG 3.69Å; F817-L822 HydrophobicContact CD2-CD2 3.99Å; F817-L822 HydrophobicContact CG-CD2 4.2Å; F817-L825 HydrophobicContact CD1-CD1 4.29Å; F817-L825 HydrophobicContact CE1-CD1 4.26Å; F817-L825 HydrophobicContact CZ-CD1 4.46Å; F817-I907 HydrophobicContact CD2-CG2 3.7Å; F817-I907 HydrophobicContact CE2-CG2 3.76Å; F817-L910 HydrophobicContact CZ-CB 4.41Å; F817-L910 HydrophobicContact CZ-CD2 4.2Å; F817-L910 HydrophobicContact CZ-CG 3.96Å; F817-C914 HydrophobicContact CE1-CB 4.05Å; F817-C914 HydrophobicContact CZ-CB 4.06Å; F817-H915 AromaticContact CD1-CD2 3.93Å; F817-H915 AromaticContact CD1-NE2 3.26Å; F817-H915 VanDerWaalsContact CD1-NE2 3.26Å; F817-H915 WeakPolarHBondContact CD1-NE2 3.23Å; F817-H915 AromaticContact CE1-CD2 3.68Å; F817-H915 AromaticContact CE1-NE2 3.21Å; F817-H915 WeakPolarHBondContact CE1-NE2 3.34Å; F817-H915 AromaticContact CZ-CD2 3.92Å; F817-H915 AromaticContact CZ-NE2 3.95Å; F817-V1247 HydrophobicContact CD1-CG1 4.09Å; F817-V1247 HydrophobicContact CE1-CG1 3.84Å; F817-V1247 HydrophobicContact CE1-CG2 3.94Å
818S89.4Confident86.9Confident52 Ų5248.6 Ų48.636%0.36426%0.262SS..  trans-71.1162.8168.968.40000112.4D820 E821 L822S818-D820 VanDerWaalsContact C-N 3.27Å; S818-D820 PolarHBondContact O-N 2.69Å; S818-E821 VanDerWaalsContact CB-OE2 3.23Å; S818-E821 WeakPolarHBondContact CB-OE2 3.07Å; S818-E821 PolarHBondContact N-OE2 3.5Å; S818-E821 PolarHBondContact O-N 3.4Å; S818-E821 VanDerWaalsContact OG-CD 3.29Å; S818-E821 VanDerWaalsContact OG-CG 3.32Å; S818-E821 WeakPolarHBondContact OG-CG 3.41Å; S818-E821 PolarHBondContact OG-N 3.08Å; S818-E821 PolarHBondContact OG-OE2 3Å; S818-L822 WeakPolarHBondContact O-CG 3.17Å; S818-L822 PolarHBondContact O-N 3.39Å
819I88.2Confident86.9Confident96 Ų9648.5 Ų48.549%0.49226%0.262SS..Hα-helixtrans-57.2-42.3176.4-64.8175.8000111V808 V812 L822 E823V808-I819 HydrophobicContact CG1-CG2 4.02Å; V812-I819 HydrophobicContact CG2-CG1 3.91Å; I819-L822 PolarHBondContact O-N 2.93Å; I819-E823 HydrophobicContact CG2-CG 4.49Å; I819-E823 WeakPolarHBondContact O-CG 3.24Å; I819-E823 PolarHBondContact O-N 2.87Å
820D88.4Confident86.8Confident120 Ų12042.8 Ų42.864%0.64224%0.241SC*.Hα-helixtrans-68.5-39.7-177.5-61-38.7000111.8S818 E824S818-D820 VanDerWaalsContact C-N 3.27Å; S818-D820 PolarHBondContact O-N 2.69Å; D820-E824 WeakPolarHBondContact O-CB 3.15Å; D820-E824 VanDerWaalsContact O-CG 3.28Å; D820-E824 WeakPolarHBondContact O-CG 3.41Å; D820-E824 PolarHBondContact O-N 2.85Å; D820-E824 VanDerWaalsContact O-N 3.14Å
821E89.6Confident86.5Confident46 Ų4641.6 Ų41.622%0.21523%0.234CC..Hα-helixtrans-64.5-43.7173.3-71162.9127.900111.6F817 S818 E824 L825 V1247 I1251F817-E821 HydrophobicContact CB-CB 4.35Å; F817-E821 HydrophobicContact CD1-CB 4.47Å; S818-E821 VanDerWaalsContact CB-OE2 3.23Å; S818-E821 WeakPolarHBondContact CB-OE2 3.07Å; S818-E821 PolarHBondContact N-OE2 3.5Å; S818-E821 PolarHBondContact O-N 3.4Å; S818-E821 VanDerWaalsContact OG-CD 3.29Å; S818-E821 VanDerWaalsContact OG-CG 3.32Å; S818-E821 WeakPolarHBondContact OG-CG 3.41Å; S818-E821 PolarHBondContact OG-N 3.08Å; S818-E821 PolarHBondContact OG-OE2 3Å; E821-E824 PolarHBondContact O-N 2.69Å; E821-L825 WeakPolarHBondContact O-CB 3.25Å; E821-L825 VanDerWaalsContact O-CG 3.26Å; E821-L825 WeakPolarHBondContact O-CG 3.32Å; E821-L825 PolarHBondContact O-N 3.11Å; E821-V1247 HydrophobicContact CG-CG1 4.3Å; E821-I1251 HydrophobicContact CB-CD1 4.38Å; E821-I1251 HydrophobicContact CG-CD1 4.45Å
822L90.3Very high86.1Confident0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-64.4-40.3177.2-71.8172.9000112.5V808 I811 V812 F817 S818 I819 E824 Y826 I907V808-L822 HydrophobicContact CB-CB 4.43Å; V808-L822 HydrophobicContact CG1-CB 3.69Å; V808-L822 HydrophobicContact CG1-CD1 4.11Å; V808-L822 HydrophobicContact CG2-CB 4Å; I811-L822 HydrophobicContact CG2-CD2 4.13Å; V812-L822 HydrophobicContact CB-CD1 3.69Å; V812-L822 HydrophobicContact CG2-CD1 3.95Å; F817-L822 HydrophobicContact CB-CD1 4.32Å; F817-L822 HydrophobicContact CB-CD2 3.79Å; F817-L822 HydrophobicContact CB-CG 3.69Å; F817-L822 HydrophobicContact CD2-CD2 3.99Å; F817-L822 HydrophobicContact CG-CD2 4.2Å; S818-L822 WeakPolarHBondContact O-CG 3.17Å; S818-L822 PolarHBondContact O-N 3.39Å; I819-L822 PolarHBondContact O-N 2.93Å; L822-E824 VanDerWaalsContact C-N 3.32Å; L822-E824 PolarHBondContact O-N 3.48Å; L822-Y826 VanDerWaalsContact O-CB 3.28Å; L822-Y826 WeakPolarHBondContact O-CB 3.27Å; L822-Y826 PolarHBondContact O-N 3.27Å; L822-I907 HydrophobicContact CD2-CD1 4.38Å; L822-I907 HydrophobicContact CD2-CG1 4.4Å; L822-I907 HydrophobicContact CD2-CG2 3.67Å
823E89.5Confident85.7Confident45 Ų4540.7 Ų40.721%0.2123%0.227CC..Hα-helixtrans-63.3-38.2175-75.2-147.3144.600112.2K804 V808 I819 V827K804-E823 HydrophobicContact CD-CB 4.08Å; K804-E823 HydrophobicContact CD-CG 4.02Å; K804-E823 VanDerWaalsContact CE-CD 3.42Å; K804-E823 WeakPolarHBondContact CE-OE1 3.49Å; K804-E823 HydrophobicContact CG-CG 4.35Å; K804-E823 IonicContact NZ-OE1 3.21Å; K804-E823 PolarHBondContact NZ-OE1 3.24Å; K804-E823 IonicContact NZ-OE2 3.73Å; K804-E823 PolarHBondContact NZ-OE2 3.36Å; V808-E823 HydrophobicContact CG1-CG 4.37Å; V808-E823 HydrophobicContact CG2-CG 4.12Å; I819-E823 HydrophobicContact CG2-CG 4.49Å; I819-E823 WeakPolarHBondContact O-CG 3.24Å; I819-E823 PolarHBondContact O-N 2.87Å; E823-V827 WeakPolarHBondContact O-CG2 3.47Å; E823-V827 PolarHBondContact O-N 2.82Å
824E88.8Confident85.3Confident74 Ų7435.4 Ų35.435%0.34620%0.195SC..Hα-helixtrans-78.2-37.2-179-70.5-80.3-142.200112.6D820 E821 L822 Y826 V827 L828 I1251 K1255D820-E824 WeakPolarHBondContact O-CB 3.15Å; D820-E824 VanDerWaalsContact O-CG 3.28Å; D820-E824 WeakPolarHBondContact O-CG 3.41Å; D820-E824 PolarHBondContact O-N 2.85Å; D820-E824 VanDerWaalsContact O-N 3.14Å; E821-E824 PolarHBondContact O-N 2.69Å; L822-E824 VanDerWaalsContact C-N 3.32Å; L822-E824 PolarHBondContact O-N 3.48Å; E824-Y826 VanDerWaalsContact C-N 3.33Å; E824-V827 PolarHBondContact O-N 2.77Å; E824-L828 WeakPolarHBondContact O-CG 3.33Å; E824-L828 PolarHBondContact O-N 2.98Å; E824-I1251 HydrophobicContact CB-CG2 4.06Å; E824-K1255 IonicContact OE1-NZ 3.32Å; E824-K1255 PolarHBondContact OE1-NZ 2.71Å; E824-K1255 WeakPolarHBondContact OE2-CE 3.34Å; E824-K1255 IonicContact OE2-NZ 2.7Å; E824-K1255 PolarHBondContact OE2-NZ 3.38Å
825L89.8Confident84.7Confident2 Ų233.1 Ų33.11%0.0119%0.186CC..Hα-helixtrans-64-37.9169.4-71.3166.2000111.2F817 E821 L828 F829 L873 F903 I907 L910 I1251F817-L825 HydrophobicContact CD1-CD1 4.29Å; F817-L825 HydrophobicContact CE1-CD1 4.26Å; F817-L825 HydrophobicContact CZ-CD1 4.46Å; E821-L825 WeakPolarHBondContact O-CB 3.25Å; E821-L825 VanDerWaalsContact O-CG 3.26Å; E821-L825 WeakPolarHBondContact O-CG 3.32Å; E821-L825 PolarHBondContact O-N 3.11Å; L825-L828 PolarHBondContact O-N 2.8Å; L825-F829 WeakPolarHBondContact O-CB 3.24Å; L825-F829 PolarHBondContact O-N 2.99Å; L825-L873 HydrophobicContact CD2-CD1 4.03Å; L825-L873 HydrophobicContact CD2-CD2 4.24Å; L825-F903 HydrophobicContact CB-CE2 4.36Å; L825-F903 HydrophobicContact CB-CZ 4.34Å; L825-I907 HydrophobicContact CB-CD1 3.81Å; L825-I907 HydrophobicContact CD1-CD1 3.8Å; L825-I907 HydrophobicContact CG-CD1 4.34Å; L825-L910 HydrophobicContact CD1-CD2 4.17Å; L825-L910 HydrophobicContact CD2-CD2 3.98Å; L825-I1251 HydrophobicContact CD1-CD1 4.31Å; L825-I1251 HydrophobicContact CD2-CD1 3.99Å; L825-I1251 HydrophobicContact CD2-CG1 3.78Å; L825-I1251 HydrophobicContact CG-CD1 3.77Å; L825-I1251 HydrophobicContact CG-CG1 4.13Å
826Y88.6Confident83.9Confident7 Ų733 Ų333%0.02719%0.186CC..Hα-helixtrans-63.2-43.4173.5-176.1-96.4000112K804 V807 L822 E824 L828 F829 K830 Y859 F903K804-Y826 HydrophobicContact CB-CD1 3.89Å; K804-Y826 HydrophobicContact CB-CE1 3.7Å; K804-Y826 HydrophobicContact CD-CD1 4.01Å; K804-Y826 HydrophobicContact CG-CD1 3.56Å; K804-Y826 HydrophobicContact CG-CE1 3.94Å; K804-Y826 HydrophobicContact CG-CG 4.18Å; V807-Y826 HydrophobicContact CB-CD2 4.46Å; V807-Y826 HydrophobicContact CB-CE2 4.11Å; V807-Y826 HydrophobicContact CG1-CD2 3.84Å; V807-Y826 HydrophobicContact CG1-CE2 3.8Å; V807-Y826 HydrophobicContact CG2-CE2 3.91Å; L822-Y826 VanDerWaalsContact O-CB 3.28Å; L822-Y826 WeakPolarHBondContact O-CB 3.27Å; L822-Y826 PolarHBondContact O-N 3.27Å; E824-Y826 VanDerWaalsContact C-N 3.33Å; Y826-L828 VanDerWaalsContact C-N 3.3Å; Y826-L828 PolarHBondContact O-N 3.45Å; Y826-F829 PolarHBondContact O-N 3.07Å; Y826-K830 HydrophobicContact CE1-CD 4.21Å; Y826-K830 VanDerWaalsContact O-CB 3.24Å; Y826-K830 WeakPolarHBondContact O-CB 3.4Å; Y826-K830 PolarHBondContact O-N 3.07Å; Y826-Y859 WeakPolarHBondContact OH-CD2 3.13Å; Y826-F903 VanDerWaalsContact CA-CE2 3.41Å; Y826-F903 HydrophobicContact CD2-CB 4.5Å; Y826-F903 AromaticContact CD2-CD1 3.7Å; Y826-F903 HydrophobicContact CD2-CD1 3.7Å; Y826-F903 HydrophobicContact CD2-CD2 4.11Å; Y826-F903 AromaticContact CD2-CE1 3.82Å; Y826-F903 HydrophobicContact CD2-CE1 3.82Å; Y826-F903 HydrophobicContact CD2-CE2 4.23Å; Y826-F903 AromaticContact CD2-CG 3.83Å; Y826-F903 HydrophobicContact CD2-CG 3.83Å; Y826-F903 HydrophobicContact CD2-CZ 4.08Å; Y826-F903 HydrophobicContact CE2-CD1 4.42Å; Y826-F903 HydrophobicContact CE2-CG 4.46Å; Y826-F903 HydrophobicContact CG-CE1 4.42Å; Y826-F903 HydrophobicContact CG-CZ 4.37Å
827V85.3Confident82.8Confident65 Ų6531.2 Ų31.239%0.39417%0.17SC..Hα-helixtrans-61.4-39.2173.4168.60000111E823 E824 A831E823-V827 WeakPolarHBondContact O-CG2 3.47Å; E823-V827 PolarHBondContact O-N 2.82Å; E824-V827 PolarHBondContact O-N 2.77Å; V827-A831 WeakPolarHBondContact O-CB 3.48Å; V827-A831 PolarHBondContact O-N 2.94Å; V827-A831 VanDerWaalsContact O-N 3.07Å
828L84.8Confident81.7Confident7 Ų732.2 Ų32.24%0.03717%0.173CC..Hα-helixtrans-67.6-44.7176-74.2177.5000113E824 L825 Y826 A831 E832 L873 I1251 A1254 K1255 R1258E824-L828 WeakPolarHBondContact O-CG 3.33Å; E824-L828 PolarHBondContact O-N 2.98Å; L825-L828 PolarHBondContact O-N 2.8Å; Y826-L828 VanDerWaalsContact C-N 3.3Å; Y826-L828 PolarHBondContact O-N 3.45Å; L828-A831 PolarHBondContact O-N 2.88Å; L828-E832 PolarHBondContact O-N 3.07Å; L828-L873 HydrophobicContact CD1-CD1 4.35Å; L828-L873 HydrophobicContact CD1-CD2 4.03Å; L828-I1251 HydrophobicContact CD1-CB 4.42Å; L828-I1251 HydrophobicContact CD1-CG1 4.37Å; L828-I1251 HydrophobicContact CD1-CG2 4.12Å; L828-A1254 HydrophobicContact CD1-CB 3.89Å; L828-A1254 HydrophobicContact CD2-CB 4.28Å; L828-K1255 HydrophobicContact CD2-CG 4.07Å; L828-R1258 VanDerWaalsContact CD2-NH1 3.29Å; L828-R1258 PolarHBondContact O-NH1 3.08Å; L828-R1258 PolarHBondContact O-NH2 2.59Å
829F86.6Confident80.5Confident1 Ų133 Ų330%0.00417%0.168CC..Hα-helixtrans-63.2-54.9178.3177.8-86.5000111.4L825 Y826 A831 E832 H833 Y859 I861 L869 F903 F906L825-F829 WeakPolarHBondContact O-CB 3.24Å; L825-F829 PolarHBondContact O-N 2.99Å; Y826-F829 PolarHBondContact O-N 3.07Å; F829-A831 PolarHBondContact O-N 2.59Å; F829-E832 PolarHBondContact O-N 2.74Å; F829-H833 PolarHBondContact O-N 3.09Å; F829-H833 VanDerWaalsContact O-N 3.11Å; F829-Y859 WeakPolarHBondContact CE1-O 3.28Å; F829-I861 HydrophobicContact CD2-CD1 3.88Å; F829-I861 HydrophobicContact CE1-CG2 4.31Å; F829-I861 HydrophobicContact CE2-CB 4.49Å; F829-I861 HydrophobicContact CE2-CD1 3.39Å; F829-I861 HydrophobicContact CE2-CG1 3.63Å; F829-I861 HydrophobicContact CE2-CG2 4.11Å; F829-I861 HydrophobicContact CZ-CB 4.46Å; F829-I861 HydrophobicContact CZ-CD1 4.16Å; F829-I861 HydrophobicContact CZ-CG1 3.91Å; F829-I861 HydrophobicContact CZ-CG2 3.95Å; F829-L869 HydrophobicContact CD2-CD1 4Å; F829-F903 HydrophobicContact CB-CD2 3.74Å; F829-F903 HydrophobicContact CB-CE2 3.98Å; F829-F903 HydrophobicContact CD1-CB 4.15Å; F829-F903 AromaticContact CD1-CD2 3.88Å; F829-F903 HydrophobicContact CD1-CD2 3.88Å; F829-F903 HydrophobicContact CD1-CG 4.44Å; F829-F903 AromaticContact CD2-CD2 3.95Å; F829-F903 HydrophobicContact CD2-CD2 3.95Å; F829-F903 HydrophobicContact CE1-CB 3.95Å; F829-F903 HydrophobicContact CE1-CD2 4.45Å; F829-F903 HydrophobicContact CE2-CD2 4.5Å; F829-F903 AromaticContact CG-CD2 3.61Å; F829-F903 HydrophobicContact CG-CD2 3.61Å; F829-F903 HydrophobicContact CG-CE2 4.35Å; F829-F903 HydrophobicContact CZ-CB 4.17Å; F829-F906 HydrophobicContact CD2-CB 4.03Å; F829-F906 AromaticContact CD2-CD1 3.82Å; F829-F906 HydrophobicContact CD2-CD1 3.82Å; F829-F906 HydrophobicContact CD2-CD2 4.2Å; F829-F906 HydrophobicContact CD2-CE1 4.38Å; F829-F906 AromaticContact CD2-CG 3.73Å; F829-F906 HydrophobicContact CD2-CG 3.73Å; F829-F906 HydrophobicContact CE2-CB 3.74Å; F829-F906 HydrophobicContact CE2-CD1 4.42Å; F829-F906 HydrophobicContact CE2-CD2 4.37Å; F829-F906 AromaticContact CE2-CG 3.93Å; F829-F906 HydrophobicContact CE2-CG 3.93Å
830K84Confident79Confident30 Ų3030.6 Ų30.613%0.1317%0.167CC..Hα-helixtrans-56.8-37.8177.2176.6176.3174.3168.60111.9E800 Y826 E832 H833 L834 Y859E800-K830 IonicContact OE2-NZ 2.92Å; E800-K830 PolarHBondContact OE2-NZ 3.4Å; Y826-K830 HydrophobicContact CE1-CD 4.21Å; Y826-K830 VanDerWaalsContact O-CB 3.24Å; Y826-K830 WeakPolarHBondContact O-CB 3.4Å; Y826-K830 PolarHBondContact O-N 3.07Å; K830-E832 VanDerWaalsContact C-N 3.29Å; K830-E832 PolarHBondContact O-N 3.01Å; K830-H833 PolarHBondContact O-N 2.78Å; K830-L834 HydrophobicContact CG-CD1 4.24Å; K830-L834 WeakPolarHBondContact O-CG 3.26Å; K830-L834 PolarHBondContact O-N 3.24Å; K830-Y859 HydrophobicContact CD-CD2 4.14Å; K830-Y859 HydrophobicContact CD-CE2 3.55Å; K830-Y859 WeakPolarHBondContact CE-OH 3.25Å; K830-Y859 HydrophobicContact CG-CD2 4.18Å; K830-Y859 HydrophobicContact CG-CE2 3.98Å; K830-Y859 PolarHBondContact NZ-OH 3.28Å; K830-Y859 VanDerWaalsContact NZ-OH 3.11Å
831A78.3Confident76.9Confident7 Ų729.9 Ų29.96%0.05817%0.171CC..Hα-helixtrans-65.7-27.7178.400000113.7R199 V827 L828 F829 S835R199-A831 VanDerWaalsContact NH1-CB 3.3Å; R199-A831 PolarHBondContact NH1-O 3.47Å; V827-A831 WeakPolarHBondContact O-CB 3.48Å; V827-A831 PolarHBondContact O-N 2.94Å; V827-A831 VanDerWaalsContact O-N 3.07Å; L828-A831 PolarHBondContact O-N 2.88Å; F829-A831 PolarHBondContact O-N 2.59Å; A831-S835 PolarHBondContact O-N 3.06Å; A831-S835 PolarHBondContact O-OG 3.45Å
832E78.1Confident74.7Confident22 Ų2233.8 Ų33.810%0.10320%0.204CC..Hα-helixtrans-85.3-35.8175.3-141.259.989.500112.4L828 F829 K830 L834 S835 S836 L865 L869 R1258L828-E832 PolarHBondContact O-N 3.07Å; F829-E832 PolarHBondContact O-N 2.74Å; K830-E832 VanDerWaalsContact C-N 3.29Å; K830-E832 PolarHBondContact O-N 3.01Å; E832-L834 PolarHBondContact O-N 2.92Å; E832-S835 VanDerWaalsContact O-CB 3.28Å; E832-S835 WeakPolarHBondContact O-CB 3.26Å; E832-S835 PolarHBondContact O-N 2.83Å; E832-S835 VanDerWaalsContact OE2-CB 3.26Å; E832-S835 WeakPolarHBondContact OE2-CB 3.45Å; E832-S835 PolarHBondContact OE2-OG 3.13Å; E832-S836 PolarHBondContact O-N 3.44Å; E832-L865 HydrophobicContact CG-CD2 4.42Å; E832-L869 HydrophobicContact CB-CD1 4.45Å; E832-L869 HydrophobicContact CB-CD2 4.2Å; E832-L869 HydrophobicContact CB-CG 4.24Å; E832-L869 HydrophobicContact CG-CG 4.37Å; E832-R1258 VanDerWaalsContact CD-NH2 3.31Å; E832-R1258 IonicContact OE1-CZ 3.41Å; E832-R1258 VanDerWaalsContact OE1-CZ 3.23Å; E832-R1258 IonicContact OE1-NE 2.7Å; E832-R1258 PolarHBondContact OE1-NE 3.12Å; E832-R1258 VanDerWaalsContact OE1-NE 3.12Å; E832-R1258 IonicContact OE1-NH2 3.21Å; E832-R1258 PolarHBondContact OE1-NH2 3.07Å
833H78.3Confident72.5Confident4 Ų436.7 Ų36.72%0.01922%0.224CC..Hα-helixtrans-50.7-47.3165.817292.6000110.8F829 K830 S835 S836 C837 Y859 R860 I861F829-H833 PolarHBondContact O-N 3.09Å; F829-H833 VanDerWaalsContact O-N 3.11Å; K830-H833 PolarHBondContact O-N 2.78Å; H833-S835 PolarHBondContact O-N 3.31Å; H833-S836 WeakPolarHBondContact O-CB 3.41Å; H833-S836 PolarHBondContact O-N 2.93Å; H833-S836 VanDerWaalsContact O-N 3.09Å; H833-C837 PolarHBondContact O-N 3.45Å; H833-C837 PolarHBondContact O-SG 3.08Å; H833-C837 VanDerWaalsContact O-SG 3.36Å; H833-Y859 AromaticContact CD2-CD1 3.47Å; H833-Y859 VanDerWaalsContact CD2-CD1 3.47Å; H833-Y859 WeakPolarHBondContact CD2-CD1 3.36Å; H833-Y859 AromaticContact CD2-CE1 3.94Å; H833-Y859 AromaticContact NE2-CD1 3.48Å; H833-Y859 WeakPolarHBondContact NE2-CD1 3.45Å; H833-Y859 AromaticContact NE2-CE1 3.95Å; H833-R860 PolarHBondContact ND1-O 3.29Å; H833-I861 HydrophobicContact CB-CG2 4.08Å
834L73.9Confident70.5Confident7 Ų738.7 Ų38.74%0.03724%0.236CC..Hα-helixtrans-65.6-31.1177.8-68.9173.6000113.9L253 K830 E832 S836 C837 Y838L253-L834 HydrophobicContact CD2-CD1 3.9Å; L253-L834 HydrophobicContact CD2-CD2 3.74Å; K830-L834 HydrophobicContact CG-CD1 4.24Å; K830-L834 WeakPolarHBondContact O-CG 3.26Å; K830-L834 PolarHBondContact O-N 3.24Å; E832-L834 PolarHBondContact O-N 2.92Å; L834-S836 PolarHBondContact O-N 2.85Å; L834-C837 PolarHBondContact O-N 3.33Å; L834-Y838 HydrophobicContact CB-CE2 4.2Å; L834-Y838 VanDerWaalsContact O-CD2 3.22Å; L834-Y838 WeakPolarHBondContact O-CD2 3.43Å; L834-Y838 PolarHBondContact O-N 3.11Å; L834-Y838 VanDerWaalsContact O-N 3.15Å
835S69.4Low68.5Low21 Ų2137.6 Ų37.615%0.14724%0.236CC..Hα-helixtrans-57.2-40.5170.7-57.70000111.1A831 E832 H833 Y838 W839A831-S835 PolarHBondContact O-N 3.06Å; A831-S835 PolarHBondContact O-OG 3.45Å; E832-S835 VanDerWaalsContact O-CB 3.28Å; E832-S835 WeakPolarHBondContact O-CB 3.26Å; E832-S835 PolarHBondContact O-N 2.83Å; E832-S835 VanDerWaalsContact OE2-CB 3.26Å; E832-S835 WeakPolarHBondContact OE2-CB 3.45Å; E832-S835 PolarHBondContact OE2-OG 3.13Å; H833-S835 PolarHBondContact O-N 3.31Å; S835-Y838 PolarHBondContact O-N 2.94Å; S835-W839 PolarHBondContact O-N 3.1Å
836S66.9Low66.5Low18 Ų1841.9 Ų41.913%0.12626%0.262CS..Hα-helixtrans-63.3-44.8174.2-150.50000112.3E832 H833 L834 Y838 W839 G840 R848 L865E832-S836 PolarHBondContact O-N 3.44Å; H833-S836 WeakPolarHBondContact O-CB 3.41Å; H833-S836 PolarHBondContact O-N 2.93Å; H833-S836 VanDerWaalsContact O-N 3.09Å; L834-S836 PolarHBondContact O-N 2.85Å; S836-Y838 PolarHBondContact O-N 3.18Å; S836-Y838 VanDerWaalsContact O-N 3.1Å; S836-W839 PolarHBondContact O-N 3.36Å; S836-G840 VanDerWaalsContact O-CA 3.32Å; S836-G840 WeakPolarHBondContact O-CA 3.43Å; S836-G840 PolarHBondContact O-N 3.42Å; S836-R848 PolarHBondContact OG-NH1 3.35Å; S836-L865 VanDerWaalsContact CB-CD1 3.49Å
837C62.9Low64.6Low26 Ų2647.5 Ų47.518%0.17629%0.289CS..Hα-helixtrans-64.4-13.5176.5-550000113.8H833 L834H833-C837 PolarHBondContact O-N 3.45Å; H833-C837 PolarHBondContact O-SG 3.08Å; H833-C837 VanDerWaalsContact O-SG 3.36Å; L834-C837 PolarHBondContact O-N 3.33Å
838Y64.3Low63.1Low26 Ų2646.1 Ų46.110%0.10228%0.276CS..Hα-helixtrans-99.7-37.4177.7-60.4-22.5000113.3N181 L834 S835 S836N181-Y838 HydrophobicContact CB-CD1 4.2Å; N181-Y838 HydrophobicContact CB-CD2 4.01Å; N181-Y838 HydrophobicContact CB-CE1 4.41Å; N181-Y838 HydrophobicContact CB-CE2 4.22Å; N181-Y838 HydrophobicContact CB-CG 4.01Å; N181-Y838 VanDerWaalsContact OD1-CD1 3.3Å; N181-Y838 WeakPolarHBondContact OD1-CD1 3.36Å; L834-Y838 HydrophobicContact CB-CE2 4.2Å; L834-Y838 VanDerWaalsContact O-CD2 3.22Å; L834-Y838 WeakPolarHBondContact O-CD2 3.43Å; L834-Y838 PolarHBondContact O-N 3.11Å; L834-Y838 VanDerWaalsContact O-N 3.15Å; S835-Y838 PolarHBondContact O-N 2.94Å; S836-Y838 PolarHBondContact O-N 3.18Å; S836-Y838 VanDerWaalsContact O-N 3.1Å
839W65Low61.6Low69 Ų6946.2 Ų46.226%0.26128%0.276SS..Hα-helixtrans-136.84.7-166.8-48.8-52.6000114.8P152 E154 E155 H182 S835 S836P152-W839 HydrophobicContact CG-CD2 3.83Å; P152-W839 HydrophobicContact CG-CE3 4.49Å; P152-W839 HydrophobicContact CG-CG 3.98Å; P152-W839 HydrophobicContact CG-CZ2 4.04Å; E154-W839 HydrophobicContact CB-CB 4.17Å; E154-W839 HydrophobicContact CB-CG 4.18Å; E154-W839 HydrophobicContact CG-CB 4.42Å; E155-W839 HydrophobicContact CB-CZ2 4.48Å; E155-W839 PolarHBondContact OE2-NE1 3.21Å; H182-W839 AromaticContact CE1-CH2 3.75Å; H182-W839 AromaticContact CE1-CZ2 3.46Å; H182-W839 VanDerWaalsContact CE1-CZ2 3.46Å; H182-W839 WeakPolarHBondContact CE1-CZ2 3.46Å; S835-W839 PolarHBondContact O-N 3.1Å; S836-W839 PolarHBondContact O-N 3.36Å
840G55.8Low59.9Low45 Ų4549.3 Ų49.346%0.46429%0.293SS..  trans-65.8139.6-178.100000113.9S836S836-G840 VanDerWaalsContact O-CA 3.32Å; S836-G840 WeakPolarHBondContact O-CA 3.43Å; S836-G840 PolarHBondContact O-N 3.42Å
841S43.9Very low58.3Low105 Ų10550.4 Ų50.473%0.73430%0.303SS*.  trans-88.3110.4-178.5-73.50000112.7S843S841-S843 VanDerWaalsContact C-N 3.33Å; S841-S843 PolarHBondContact O-N 2.75Å
842S44.1Very low56.9Low128 Ų12853.6 Ų53.690%0.89533%0.325SS*.SBendtrans67.6-18.8160.971.30000120.8
843S44Very low55.9Low61 Ų6155.5 Ų55.543%0.42734%0.336SS..SBendtrans-68.1143.7172.1-56.40000112.1S841 P845 R848S841-S843 VanDerWaalsContact C-N 3.33Å; S841-S843 PolarHBondContact O-N 2.75Å; S843-P845 WeakPolarHBondContact O-CD 3.22Å; S843-R848 PolarHBondContact OG-NH2 2.64Å
844N48Very low55Low87 Ų8757.9 Ų57.947%0.46535%0.351SS..  trans-64.7121.4176.8-75.2-40.1000110.7T846 E847N844-T846 PolarHBondContact O-N 2.75Å; N844-T846 VanDerWaalsContact O-N 3.15Å; N844-E847 HydrophobicContact CB-CG 4.08Å; N844-E847 WeakPolarHBondContact CB-OE1 3.24Å; N844-E847 PolarHBondContact ND2-OE1 3.09Å; N844-E847 PolarHBondContact O-N 2.78Å; N844-E847 VanDerWaalsContact O-N 3.16Å
845P47.5Very low54.2Low52 Ų5260.8 Ų60.834%0.33836%0.363SS..G310 helixtrans-61.2-25.5176.3-24.535.5000113.3S843 E847 R848S843-P845 WeakPolarHBondContact O-CD 3.22Å; P845-E847 VanDerWaalsContact C-N 3.28Å; P845-E847 PolarHBondContact O-N 3.37Å; P845-R848 PolarHBondContact O-N 3.2Å
846T46.2Very low53.6Low92 Ų9260.4 Ų60.456%0.56436%0.359SS*.G310 helixtrans-71.7-14.5179.249.20000114.5N844 R848N844-T846 PolarHBondContact O-N 2.75Å; N844-T846 VanDerWaalsContact O-N 3.15Å; T846-R848 VanDerWaalsContact C-N 3.32Å
847E49.7Very low53.4Low124 Ų12462.3 Ų62.358%0.57937%0.366SS*.G310 helixtrans-83.8-12.1173.2-73157.9-159.600112N844 P845 L900N844-E847 HydrophobicContact CB-CG 4.08Å; N844-E847 WeakPolarHBondContact CB-OE1 3.24Å; N844-E847 PolarHBondContact ND2-OE1 3.09Å; N844-E847 PolarHBondContact O-N 2.78Å; N844-E847 VanDerWaalsContact O-N 3.16Å; P845-E847 VanDerWaalsContact C-N 3.28Å; P845-E847 PolarHBondContact O-N 3.37Å; E847-L900 WeakPolarHBondContact O-CD1 3.31Å
848R53.8Low53.6Low37 Ų3761.4 Ų61.414%0.1436%0.359CS..SBendtrans-108.6-3.3-169.2-59.3175.6170.9-144.3-14.9114.4S836 S843 P845 T846 D862 L900S836-R848 PolarHBondContact OG-NH1 3.35Å; S843-R848 PolarHBondContact OG-NH2 2.64Å; P845-R848 PolarHBondContact O-N 3.2Å; T846-R848 VanDerWaalsContact C-N 3.32Å; R848-D862 IonicContact CZ-OD2 3.76Å; R848-D862 IonicContact NH1-OD2 2.85Å; R848-D862 PolarHBondContact NH1-OD2 3.34Å; R848-D862 IonicContact NH2-OD2 2.72Å; R848-D862 PolarHBondContact NH2-OD2 3.27Å; R848-L900 HydrophobicContact CG-CD1 4.17Å; R848-L900 HydrophobicContact CG-CD2 4.01Å
849H52.2Low54.1Low8 Ų860.4 Ų60.44%0.03736%0.355CS..  trans-163.6108.2179.5171.9-70.7000108.9L254 N256 P851 Q858 Y859L254-H849 PolarHBondContact O-NE2 3.49Å; N256-H849 WeakPolarHBondContact ND2-CB 3.3Å; N256-H849 PolarHBondContact ND2-CD2 2.78Å; N256-H849 PolarHBondContact ND2-ND1 3.31Å; H849-P851 WeakPolarHBondContact CE1-CD 3.28Å; H849-P851 WeakPolarHBondContact CE1-CG 3.38Å; H849-P851 WeakPolarHBondContact NE2-CG 3.36Å; H849-Q858 WeakPolarHBondContact CB-O 3.26Å; H849-Q858 PolarHBondContact CD2-O 2.93Å; H849-Q858 VanDerWaalsContact CG-O 3.22Å; H849-Y859 AromaticContact CD2-CD1 3.86Å; H849-Y859 AromaticContact CD2-CE1 3.71Å
850D51.6Low54.8Low66 Ų6658.6 Ų58.635%0.35335%0.348SS..  trans-101.3116.3168.7178.5-16.2000108.8S852 L853D850-S852 VanDerWaalsContact CG-OG 3.26Å; D850-S852 PolarHBondContact O-N 2.9Å; D850-S852 VanDerWaalsContact O-N 3.09Å; D850-S852 WeakPolarHBondContact OD1-CA 3.42Å; D850-S852 WeakPolarHBondContact OD1-CB 3.37Å; D850-S852 PolarHBondContact OD1-N 2.93Å; D850-S852 PolarHBondContact OD1-OG 3.34Å; D850-S852 PolarHBondContact OD2-OG 2.83Å; D850-L853 HydrophobicContact CB-CB 4.5Å; D850-L853 HydrophobicContact CB-CD1 3.8Å; D850-L853 HydrophobicContact CB-CG 3.81Å; D850-L853 PolarHBondContact O-N 3.39Å
851P50.3Low56.1Low53 Ų5356.5 Ų56.534%0.34433%0.326SS..THydrogen-bonded Turntrans-64.7-7.6179.7-17.328.9000115.6H849H849-P851 WeakPolarHBondContact CE1-CD 3.28Å; H849-P851 WeakPolarHBondContact CE1-CG 3.38Å; H849-P851 WeakPolarHBondContact NE2-CG 3.36Å
852S49.3Very low58Low74 Ų7452.6 Ų52.652%0.51730%0.297SS..THydrogen-bonded Turntrans-95.9-12.2176.774.40000114.2D850D850-S852 VanDerWaalsContact CG-OG 3.26Å; D850-S852 PolarHBondContact O-N 2.9Å; D850-S852 VanDerWaalsContact O-N 3.09Å; D850-S852 WeakPolarHBondContact OD1-CA 3.42Å; D850-S852 WeakPolarHBondContact OD1-CB 3.37Å; D850-S852 PolarHBondContact OD1-N 2.93Å; D850-S852 PolarHBondContact OD1-OG 3.34Å; D850-S852 PolarHBondContact OD2-OG 2.83Å
853L56.7Low60Low63 Ų6348.5 Ų48.533%0.3327%0.266SS..SBendtrans-73160.7174.4-71.6177.7000112.4D850 E857D850-L853 HydrophobicContact CB-CB 4.5Å; D850-L853 HydrophobicContact CB-CD1 3.8Å; D850-L853 HydrophobicContact CB-CG 3.81Å; D850-L853 PolarHBondContact O-N 3.39Å; L853-E857 HydrophobicContact CB-CB 4.12Å; L853-E857 HydrophobicContact CD1-CB 4.18Å
854P58.6Low61.8Low53 Ų5350.9 Ų50.934%0.34427%0.271SS..  trans-55.7151.7173.9-25.235.4000113.2L856 E857 Q858P854-L856 PolarHBondContact O-N 2.88Å; P854-E857 PolarHBondContact O-N 3.13Å; P854-Q858 PolarHBondContact O-N 3.12Å
855Y58.1Low63.5Low69 Ų6947.8 Ų47.827%0.27125%0.254SS..THydrogen-bonded Turntrans-55.4-20.3-175.756.1-90.3000115.5N806 V807 T810N806-Y855 VanDerWaalsContact C-CE2 3.47Å; N806-Y855 HydrophobicContact CB-CD2 3.91Å; N806-Y855 HydrophobicContact CB-CE2 4.05Å; N806-Y855 HydrophobicContact CB-CG 4.24Å; N806-Y855 WeakPolarHBondContact O-CE2 3.48Å; V807-Y855 HydrophobicContact CB-CD2 4.46Å; V807-Y855 HydrophobicContact CG2-CD2 3.79Å; V807-Y855 WeakPolarHBondContact CG2-O 3.23Å; T810-Y855 PolarHBondContact OG1-OH 2.76Å
856L56.3Low65.4Low13 Ų1345.3 Ų45.37%0.06824%0.238CC..THydrogen-bonded Turntrans-75.6-35.7174.4-65.8169.3000112.9V807 T810 I811 P854 W1000V807-L856 HydrophobicContact CB-CD2 4.26Å; V807-L856 HydrophobicContact CG1-CD2 4.03Å; V807-L856 HydrophobicContact CG2-CD2 4.24Å; T810-L856 HydrophobicContact CG2-CD1 4.13Å; I811-L856 HydrophobicContact CD1-CD2 3.93Å; I811-L856 HydrophobicContact CG1-CD2 4.08Å; P854-L856 PolarHBondContact O-N 2.88Å; L856-W1000 HydrophobicContact CD1-CH2 3.74Å; L856-W1000 HydrophobicContact CD1-CZ2 3.5Å; L856-W1000 VanDerWaalsContact CD1-CZ2 3.5Å
857E62.3Low67.3Low58 Ų5842.5 Ų42.527%0.27122%0.218SC..THydrogen-bonded Turntrans-92.1-8.3-174.8-65-178.2-123.300113.2L853 P854 Y859 R860L853-E857 HydrophobicContact CB-CB 4.12Å; L853-E857 HydrophobicContact CD1-CB 4.18Å; P854-E857 PolarHBondContact O-N 3.13Å; E857-Y859 VanDerWaalsContact C-N 3.26Å; E857-Y859 PolarHBondContact O-N 2.84Å; E857-R860 WeakPolarHBondContact O-CG 3.39Å; E857-R860 IonicContact OE2-CZ 3.69Å; E857-R860 IonicContact OE2-NH2 3.88Å; E857-R860 PolarHBondContact OE2-NH2 3.36Å
858Q67.1Low68.9Low7 Ų737 Ų373%0.03320%0.195CC..SBendtrans-53.2-40.8-177.8178.4-178.8-31.500112.6R633 E800 H849 P854R633-Q858 VanDerWaalsContact NH2-NE2 3.14Å; E800-Q858 PolarHBondContact OE1-NE2 2.98Å; E800-Q858 VanDerWaalsContact OE1-NE2 3.09Å; H849-Q858 WeakPolarHBondContact CB-O 3.26Å; H849-Q858 PolarHBondContact CD2-O 2.93Å; H849-Q858 VanDerWaalsContact CG-O 3.22Å; P854-Q858 PolarHBondContact O-N 3.12Å
859Y75.6Confident70.4Confident4 Ų435.3 Ų35.32%0.01619%0.189CC..SBendtrans-114.2119.9-179.9-66.7-55.6000110.2E800 Y826 F829 K830 H833 H849 E857E800-Y859 PolarHBondContact OE2-OH 3.28Å; Y826-Y859 WeakPolarHBondContact OH-CD2 3.13Å; F829-Y859 WeakPolarHBondContact CE1-O 3.28Å; K830-Y859 HydrophobicContact CD-CD2 4.14Å; K830-Y859 HydrophobicContact CD-CE2 3.55Å; K830-Y859 WeakPolarHBondContact CE-OH 3.25Å; K830-Y859 HydrophobicContact CG-CD2 4.18Å; K830-Y859 HydrophobicContact CG-CE2 3.98Å; K830-Y859 PolarHBondContact NZ-OH 3.28Å; K830-Y859 VanDerWaalsContact NZ-OH 3.11Å; H833-Y859 AromaticContact CD2-CD1 3.47Å; H833-Y859 VanDerWaalsContact CD2-CD1 3.47Å; H833-Y859 WeakPolarHBondContact CD2-CD1 3.36Å; H833-Y859 AromaticContact CD2-CE1 3.94Å; H833-Y859 AromaticContact NE2-CD1 3.48Å; H833-Y859 WeakPolarHBondContact NE2-CD1 3.45Å; H833-Y859 AromaticContact NE2-CE1 3.95Å; H849-Y859 AromaticContact CD2-CD1 3.86Å; H849-Y859 AromaticContact CD2-CE1 3.71Å; E857-Y859 VanDerWaalsContact C-N 3.26Å; E857-Y859 PolarHBondContact O-N 2.84Å
860R79.6Confident72.1Confident31 Ų3135 Ų3512%0.11719%0.187CC..EExtended strand (participates in β ladder)trans-126.7152.7176.8-48.9-174.9174.6-161.10112.2H833 E857 D898 L900 L901 N902H833-R860 PolarHBondContact ND1-O 3.29Å; E857-R860 WeakPolarHBondContact O-CG 3.39Å; E857-R860 IonicContact OE2-CZ 3.69Å; E857-R860 IonicContact OE2-NH2 3.88Å; E857-R860 PolarHBondContact OE2-NH2 3.36Å; R860-D898 IonicContact CZ-OD2 3.4Å; R860-D898 IonicContact NH1-OD1 3.74Å; R860-D898 IonicContact NH1-OD2 3.87Å; R860-D898 PolarHBondContact NH1-OD2 2.69Å; R860-L900 HydrophobicContact CB-CB 3.92Å; R860-L901 CarbonylContact C-O 3.58Å; R860-L901 WeakPolarHBondContact CA-O 3.5Å; R860-N902 HydrophobicContact CG-CB 4.29Å
861I83.8Confident73.7Confident1 Ų134.9 Ų34.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-124.4143.4-178.758.4173.2000112.1F829 H833 L865 F866 L869 L900 L901 F906F829-I861 HydrophobicContact CD2-CD1 3.88Å; F829-I861 HydrophobicContact CE1-CG2 4.31Å; F829-I861 HydrophobicContact CE2-CB 4.49Å; F829-I861 HydrophobicContact CE2-CD1 3.39Å; F829-I861 HydrophobicContact CE2-CG1 3.63Å; F829-I861 HydrophobicContact CE2-CG2 4.11Å; F829-I861 HydrophobicContact CZ-CB 4.46Å; F829-I861 HydrophobicContact CZ-CD1 4.16Å; F829-I861 HydrophobicContact CZ-CG1 3.91Å; F829-I861 HydrophobicContact CZ-CG2 3.95Å; H833-I861 HydrophobicContact CB-CG2 4.08Å; I861-L865 HydrophobicContact CB-CB 4.01Å; I861-L865 HydrophobicContact CB-CD1 4.07Å; I861-L865 HydrophobicContact CG2-CB 4.29Å; I861-L865 HydrophobicContact CG2-CD1 4.02Å; I861-F866 HydrophobicContact CD1-CB 4.21Å; I861-F866 HydrophobicContact CD1-CD2 3.95Å; I861-L869 HydrophobicContact CD1-CD1 3.69Å; I861-L900 WeakPolarHBondContact O-CA 3.46Å; I861-L901 HydrophobicContact CG1-CB 4.23Å; I861-L901 PolarHBondContact N-O 2.98Å; I861-L901 PolarHBondContact O-N 3.49Å; I861-F906 HydrophobicContact CD1-CD2 4.31Å
862D83.9Confident75.3Confident24 Ų2434 Ų3413%0.12819%0.187CC..  trans-82.8175.2171.270.734.6000112R848 E864 L865 F866 F890 L900R848-D862 IonicContact CZ-OD2 3.76Å; R848-D862 IonicContact NH1-OD2 2.85Å; R848-D862 PolarHBondContact NH1-OD2 3.34Å; R848-D862 IonicContact NH2-OD2 2.72Å; R848-D862 PolarHBondContact NH2-OD2 3.27Å; D862-E864 VanDerWaalsContact C-N 3.3Å; D862-E864 PolarHBondContact O-N 3.17Å; D862-E864 PolarHBondContact OD1-N 3.47Å; D862-L865 PolarHBondContact O-N 3.36Å; D862-L865 WeakPolarHBondContact OD1-CG 3.48Å; D862-L865 PolarHBondContact OD1-N 2.85Å; D862-F866 WeakPolarHBondContact O-CB 3.44Å; D862-F866 PolarHBondContact O-N 3.09Å; D862-F890 VanDerWaalsContact C-CE2 3.46Å; D862-L900 HydrophobicContact CB-CD2 4.25Å
863V84.8Confident76.9Confident41 Ų4130.8 Ų30.825%0.24816%0.164CC..Hα-helixtrans-62.2-30-177.967.20000114.2F866 K867 V887 F890V863-F866 PolarHBondContact O-N 2.92Å; V863-K867 WeakPolarHBondContact O-CG 3.35Å; V863-K867 PolarHBondContact O-N 2.86Å; V863-V887 HydrophobicContact CG2-CB 4.48Å; V863-V887 HydrophobicContact CG2-CG2 3.94Å; V863-F890 HydrophobicContact CB-CD1 4.08Å; V863-F890 HydrophobicContact CB-CD2 4.11Å; V863-F890 HydrophobicContact CB-CE1 4.19Å; V863-F890 HydrophobicContact CB-CE2 4.19Å; V863-F890 HydrophobicContact CB-CG 4.04Å; V863-F890 HydrophobicContact CB-CZ 4.24Å; V863-F890 HydrophobicContact CG2-CB 4.09Å; V863-F890 HydrophobicContact CG2-CD1 4.2Å; V863-F890 HydrophobicContact CG2-CD2 4.3Å; V863-F890 HydrophobicContact CG2-CG 3.93Å
864E83.1Confident78.1Confident112 Ų11228.2 Ų28.252%0.52315%0.151SC..Hα-helixtrans-79.5-37.5-179.1-61.7-54.6131.900111.6D862 F866 K867 G868D862-E864 VanDerWaalsContact C-N 3.3Å; D862-E864 PolarHBondContact O-N 3.17Å; D862-E864 PolarHBondContact OD1-N 3.47Å; E864-F866 VanDerWaalsContact C-N 3.3Å; E864-K867 WeakPolarHBondContact OE1-CE 3.24Å; E864-K867 IonicContact OE1-NZ 3.63Å; E864-K867 PolarHBondContact OE1-NZ 3.26Å; E864-K867 WeakPolarHBondContact OE2-CD 3.4Å; E864-K867 IonicContact OE2-NZ 2.77Å; E864-K867 PolarHBondContact OE2-NZ 3.34Å; E864-G868 PolarHBondContact O-N 3.43Å
865L83.4Confident78.9Confident22 Ų2227.6 Ų27.612%0.11515%0.146CC..Hα-helixtrans-64.8-38.3168.5-59.2175.5000111.3E832 S836 I861 D862 G868 L869E832-L865 HydrophobicContact CG-CD2 4.42Å; S836-L865 VanDerWaalsContact CB-CD1 3.49Å; I861-L865 HydrophobicContact CB-CB 4.01Å; I861-L865 HydrophobicContact CB-CD1 4.07Å; I861-L865 HydrophobicContact CG2-CB 4.29Å; I861-L865 HydrophobicContact CG2-CD1 4.02Å; D862-L865 PolarHBondContact O-N 3.36Å; D862-L865 WeakPolarHBondContact OD1-CG 3.48Å; D862-L865 PolarHBondContact OD1-N 2.85Å; L865-G868 WeakPolarHBondContact O-CA 3.42Å; L865-G868 PolarHBondContact O-N 2.84Å; L865-G868 VanDerWaalsContact O-N 3.17Å; L865-L869 PolarHBondContact O-N 2.89Å; L865-L869 VanDerWaalsContact O-N 3.08Å
866F87.6Confident80Confident0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-64.1-46.3178-175.6-96.5000112.3I861 D862 V863 E864 G868 L869 F870 A886 F889 F890 L893 L901 F906I861-F866 HydrophobicContact CD1-CB 4.21Å; I861-F866 HydrophobicContact CD1-CD2 3.95Å; D862-F866 WeakPolarHBondContact O-CB 3.44Å; D862-F866 PolarHBondContact O-N 3.09Å; V863-F866 PolarHBondContact O-N 2.92Å; E864-F866 VanDerWaalsContact C-N 3.3Å; F866-G868 PolarHBondContact O-N 3.07Å; F866-L869 CarbonylContact O-C 3.58Å; F866-L869 PolarHBondContact O-N 2.79Å; F866-F870 HydrophobicContact CE1-CD2 4.23Å; F866-F870 WeakPolarHBondContact O-CB 3.45Å; F866-F870 PolarHBondContact O-N 2.94Å; F866-A886 WeakPolarHBondContact CE1-O 3.44Å; F866-F889 HydrophobicContact CE1-CB 4.41Å; F866-F889 AromaticContact CE1-CD1 3.73Å; F866-F889 HydrophobicContact CE1-CD1 3.73Å; F866-F889 HydrophobicContact CE1-CE1 4.42Å; F866-F889 HydrophobicContact CE1-CG 4.46Å; F866-F889 AromaticContact CZ-CD1 3.38Å; F866-F889 HydrophobicContact CZ-CD1 3.38Å; F866-F889 AromaticContact CZ-CE1 3.66Å; F866-F889 HydrophobicContact CZ-CE1 3.66Å; F866-F889 HydrophobicContact CZ-CG 4.29Å; F866-F890 HydrophobicContact CB-CD2 3.57Å; F866-F890 HydrophobicContact CB-CE2 4.01Å; F866-F890 HydrophobicContact CD1-CB 3.9Å; F866-F890 AromaticContact CD1-CD2 3.9Å; F866-F890 HydrophobicContact CD1-CD2 3.9Å; F866-F890 HydrophobicContact CD1-CG 4.42Å; F866-F890 HydrophobicContact CD2-CD2 4.03Å; F866-F890 HydrophobicContact CE1-CB 4.02Å; F866-F890 HydrophobicContact CG-CB 4.45Å; F866-F890 AromaticContact CG-CD2 3.59Å; F866-F890 HydrophobicContact CG-CD2 3.59Å; F866-F890 HydrophobicContact CG-CE2 4.38Å; F866-L893 HydrophobicContact CE2-CD1 3.96Å; F866-L893 HydrophobicContact CZ-CD1 3.92Å; F866-L901 HydrophobicContact CD2-CD1 3.65Å; F866-L901 HydrophobicContact CE2-CD1 3.54Å; F866-L901 HydrophobicContact CG-CD1 4.42Å; F866-L901 HydrophobicContact CZ-CD1 4.24Å; F866-F906 HydrophobicContact CD2-CD2 4.07Å; F866-F906 HydrophobicContact CD2-CE2 4.48Å; F866-F906 AromaticContact CE2-CD2 3.85Å; F866-F906 HydrophobicContact CE2-CD2 3.85Å; F866-F906 HydrophobicContact CE2-CE2 4.33Å
867K86.3Confident80.9Confident33 Ų3325.1 Ų25.114%0.14314%0.139CC..Hα-helixtrans-51.2-43.4169.4-71.7170.2-175.8177.40111.7V863 E864 L869 F870 A871 D883 A886V863-K867 WeakPolarHBondContact O-CG 3.35Å; V863-K867 PolarHBondContact O-N 2.86Å; E864-K867 WeakPolarHBondContact OE1-CE 3.24Å; E864-K867 IonicContact OE1-NZ 3.63Å; E864-K867 PolarHBondContact OE1-NZ 3.26Å; E864-K867 WeakPolarHBondContact OE2-CD 3.4Å; E864-K867 IonicContact OE2-NZ 2.77Å; E864-K867 PolarHBondContact OE2-NZ 3.34Å; K867-L869 VanDerWaalsContact C-N 3.33Å; K867-L869 PolarHBondContact O-N 3.25Å; K867-F870 WeakPolarHBondContact O-CB 3.48Å; K867-F870 PolarHBondContact O-N 3.13Å; K867-A871 PolarHBondContact O-N 3Å; K867-D883 IonicContact NZ-OD2 2.69Å; K867-D883 PolarHBondContact NZ-OD2 3.19Å; K867-A886 HydrophobicContact CB-CB 4.49Å; K867-A886 HydrophobicContact CG-CB 3.9Å
868G83.1Confident81.3Confident9 Ų925 Ų259%0.09314%0.141CC..Hα-helixtrans-61.9-33.817800000114.5E864 L865 F866 L872E864-G868 PolarHBondContact O-N 3.43Å; L865-G868 WeakPolarHBondContact O-CA 3.42Å; L865-G868 PolarHBondContact O-N 2.84Å; L865-G868 VanDerWaalsContact O-N 3.17Å; F866-G868 PolarHBondContact O-N 3.07Å; G868-L872 WeakPolarHBondContact O-CD1 3.33Å; G868-L872 WeakPolarHBondContact O-CG 3.47Å
869L85.8Confident81.4Confident1 Ų126.7 Ų26.71%0.00516%0.16CC..Hα-helixtrans-80.4-36.1171-70.6172.9000112.2F829 E832 I861 L865 F866 K867 L872 L873 F906 R1258F829-L869 HydrophobicContact CD2-CD1 4Å; E832-L869 HydrophobicContact CB-CD1 4.45Å; E832-L869 HydrophobicContact CB-CD2 4.2Å; E832-L869 HydrophobicContact CB-CG 4.24Å; E832-L869 HydrophobicContact CG-CG 4.37Å; I861-L869 HydrophobicContact CD1-CD1 3.69Å; L865-L869 PolarHBondContact O-N 2.89Å; L865-L869 VanDerWaalsContact O-N 3.08Å; F866-L869 CarbonylContact O-C 3.58Å; F866-L869 PolarHBondContact O-N 2.79Å; K867-L869 VanDerWaalsContact C-N 3.33Å; K867-L869 PolarHBondContact O-N 3.25Å; L869-L872 PolarHBondContact O-N 2.92Å; L869-L872 VanDerWaalsContact O-N 3.14Å; L869-L873 HydrophobicContact CD2-CD1 4.29Å; L869-L873 WeakPolarHBondContact O-CB 3.47Å; L869-L873 PolarHBondContact O-N 3.34Å; L869-F906 HydrophobicContact CB-CE2 3.87Å; L869-F906 HydrophobicContact CB-CZ 4.14Å; L869-F906 HydrophobicContact CD1-CD2 4.36Å; L869-F906 HydrophobicContact CD1-CE2 3.81Å; L869-F906 HydrophobicContact CD1-CZ 4.05Å; L869-F906 HydrophobicContact CG-CE2 4.46Å; L869-R1258 VanDerWaalsContact CD2-NH2 3.32Å
870F87.3Confident81.2Confident2 Ų231 Ų311%0.00920%0.196CC..Hα-helixtrans-56.5-55.1178.4-166.6-98000110.3F866 K867 L872 L873 F874 A877 L885 A886 F889F866-F870 HydrophobicContact CE1-CD2 4.23Å; F866-F870 WeakPolarHBondContact O-CB 3.45Å; F866-F870 PolarHBondContact O-N 2.94Å; K867-F870 WeakPolarHBondContact O-CB 3.48Å; K867-F870 PolarHBondContact O-N 3.13Å; F870-L872 PolarHBondContact O-N 3.36Å; F870-L873 PolarHBondContact O-N 3.47Å; F870-F874 VanDerWaalsContact CA-CD2 3.49Å; F870-F874 HydrophobicContact CB-CD2 4.33Å; F870-F874 HydrophobicContact CD1-CB 4.42Å; F870-F874 HydrophobicContact CD2-CB 3.79Å; F870-F874 AromaticContact CD2-CD1 3.56Å; F870-F874 HydrophobicContact CD2-CD1 3.56Å; F870-F874 AromaticContact CD2-CD2 3.83Å; F870-F874 HydrophobicContact CD2-CD2 3.83Å; F870-F874 HydrophobicContact CD2-CE1 4.14Å; F870-F874 HydrophobicContact CD2-CE2 4.31Å; F870-F874 AromaticContact CD2-CG 3.41Å; F870-F874 HydrophobicContact CD2-CG 3.41Å; F870-F874 VanDerWaalsContact CD2-CG 3.41Å; F870-F874 HydrophobicContact CD2-CZ 4.46Å; F870-F874 HydrophobicContact CE1-CB 4.47Å; F870-F874 HydrophobicContact CE2-CB 3.84Å; F870-F874 AromaticContact CE2-CD1 3.48Å; F870-F874 HydrophobicContact CE2-CD1 3.48Å; F870-F874 VanDerWaalsContact CE2-CD1 3.48Å; F870-F874 HydrophobicContact CE2-CE1 4.22Å; F870-F874 AromaticContact CE2-CG 3.68Å; F870-F874 HydrophobicContact CE2-CG 3.68Å; F870-F874 HydrophobicContact CG-CB 4.1Å; F870-F874 HydrophobicContact CG-CD2 4.28Å; F870-F874 HydrophobicContact CG-CG 4.05Å; F870-F874 HydrophobicContact CZ-CB 4.19Å; F870-F874 HydrophobicContact CZ-CD1 4.47Å; F870-F874 WeakPolarHBondContact O-CB 3.39Å; F870-F874 PolarHBondContact O-N 3.31Å; F870-A877 HydrophobicContact CD1-CB 3.67Å; F870-A877 HydrophobicContact CE1-CB 3.78Å; F870-L885 HydrophobicContact CE1-CB 4.44Å; F870-L885 HydrophobicContact CE1-CD2 4.3Å; F870-L885 HydrophobicContact CE1-CG 4.49Å; F870-L885 HydrophobicContact CZ-CB 4.47Å; F870-L885 HydrophobicContact CZ-CD2 4.01Å; F870-L885 HydrophobicContact CZ-CG 4.1Å; F870-A886 HydrophobicContact CB-CB 4Å; F870-A886 HydrophobicContact CD1-CB 3.67Å; F870-A886 HydrophobicContact CD2-CB 4.28Å; F870-A886 HydrophobicContact CE1-CB 4.17Å; F870-A886 HydrophobicContact CG-CB 3.73Å; F870-F889 AromaticContact CD2-CD1 3.99Å; F870-F889 HydrophobicContact CD2-CD1 3.99Å; F870-F889 AromaticContact CE2-CD1 3.69Å; F870-F889 HydrophobicContact CE2-CD1 3.69Å; F870-F889 HydrophobicContact CE2-CE1 4.38Å; F870-F889 HydrophobicContact CE2-CG 4.44Å
871A85.2Confident81.1Confident62 Ų6231.4 Ų31.451%0.51220%0.199SC..Hα-helixtrans-60.9-10.3177.400000115.8K867K867-A871 PolarHBondContact O-N 3Å
872L83.1Confident81.1Confident34 Ų3432 Ų3218%0.17820%0.203CC..Hα-helixtrans-111.5-20.6-179.4-68.6178.6000114.4G868 L869 F870 A1254 V1257G868-L872 WeakPolarHBondContact O-CD1 3.33Å; G868-L872 WeakPolarHBondContact O-CG 3.47Å; L869-L872 PolarHBondContact O-N 2.92Å; L869-L872 VanDerWaalsContact O-N 3.14Å; F870-L872 PolarHBondContact O-N 3.36Å; L872-A1254 HydrophobicContact CB-CB 3.98Å; L872-V1257 HydrophobicContact CD2-CB 4.17Å; L872-V1257 HydrophobicContact CD2-CG1 4.09Å; L872-V1257 HydrophobicContact CD2-CG2 4.21Å
873L84.3Confident81Confident7 Ų734.7 Ų34.74%0.03722%0.218CC..Hα-helixtrans-128.4-14.2-169.7-67.4171.6000114.2L825 L828 L869 F870 F906 C1250 I1251 A1254L825-L873 HydrophobicContact CD2-CD1 4.03Å; L825-L873 HydrophobicContact CD2-CD2 4.24Å; L828-L873 HydrophobicContact CD1-CD1 4.35Å; L828-L873 HydrophobicContact CD1-CD2 4.03Å; L869-L873 HydrophobicContact CD2-CD1 4.29Å; L869-L873 WeakPolarHBondContact O-CB 3.47Å; L869-L873 PolarHBondContact O-N 3.34Å; F870-L873 PolarHBondContact O-N 3.47Å; L873-F906 HydrophobicContact CD1-CZ 3.98Å; L873-C1250 HydrophobicContact CD2-CB 4.41Å; L873-I1251 HydrophobicContact CD2-CG1 4.41Å; L873-A1254 HydrophobicContact CD2-CB 3.89Å; L873-A1254 HydrophobicContact CG-CB 4.38Å
874F80.3Confident81Confident10 Ų1035.3 Ų35.34%0.04422%0.222CC..  trans-102.7123.9-171.1-74-108.9000111.4F870 W876 A877 F889 F906 L910 L913F870-F874 VanDerWaalsContact CA-CD2 3.49Å; F870-F874 HydrophobicContact CB-CD2 4.33Å; F870-F874 HydrophobicContact CD1-CB 4.42Å; F870-F874 HydrophobicContact CD2-CB 3.79Å; F870-F874 AromaticContact CD2-CD1 3.56Å; F870-F874 HydrophobicContact CD2-CD1 3.56Å; F870-F874 AromaticContact CD2-CD2 3.83Å; F870-F874 HydrophobicContact CD2-CD2 3.83Å; F870-F874 HydrophobicContact CD2-CE1 4.14Å; F870-F874 HydrophobicContact CD2-CE2 4.31Å; F870-F874 AromaticContact CD2-CG 3.41Å; F870-F874 HydrophobicContact CD2-CG 3.41Å; F870-F874 VanDerWaalsContact CD2-CG 3.41Å; F870-F874 HydrophobicContact CD2-CZ 4.46Å; F870-F874 HydrophobicContact CE1-CB 4.47Å; F870-F874 HydrophobicContact CE2-CB 3.84Å; F870-F874 AromaticContact CE2-CD1 3.48Å; F870-F874 HydrophobicContact CE2-CD1 3.48Å; F870-F874 VanDerWaalsContact CE2-CD1 3.48Å; F870-F874 HydrophobicContact CE2-CE1 4.22Å; F870-F874 AromaticContact CE2-CG 3.68Å; F870-F874 HydrophobicContact CE2-CG 3.68Å; F870-F874 HydrophobicContact CG-CB 4.1Å; F870-F874 HydrophobicContact CG-CD2 4.28Å; F870-F874 HydrophobicContact CG-CG 4.05Å; F870-F874 HydrophobicContact CZ-CB 4.19Å; F870-F874 HydrophobicContact CZ-CD1 4.47Å; F870-F874 WeakPolarHBondContact O-CB 3.39Å; F870-F874 PolarHBondContact O-N 3.31Å; F874-W876 PolarHBondContact O-N 3Å; F874-A877 HydrophobicContact CB-CB 4.4Å; F874-A877 WeakPolarHBondContact O-CB 3.37Å; F874-A877 PolarHBondContact O-N 3.27Å; F874-A877 VanDerWaalsContact O-N 3.15Å; F874-F889 HydrophobicContact CD1-CE1 4.05Å; F874-F889 HydrophobicContact CE1-CD1 4.08Å; F874-F889 AromaticContact CE1-CE1 3.25Å; F874-F889 HydrophobicContact CE1-CE1 3.25Å; F874-F889 AromaticContact CE1-CZ 3.96Å; F874-F889 HydrophobicContact CE1-CZ 3.96Å; F874-F889 AromaticContact CZ-CE1 3.81Å; F874-F889 HydrophobicContact CZ-CE1 3.81Å; F874-F906 AromaticContact CE2-CE2 3.87Å; F874-F906 HydrophobicContact CE2-CE2 3.87Å; F874-F906 HydrophobicContact CE2-CZ 4.04Å; F874-F906 HydrophobicContact CZ-CE2 4.2Å; F874-L910 HydrophobicContact CD1-CD1 4.13Å; F874-L910 HydrophobicContact CD2-CD1 4.09Å; F874-L910 HydrophobicContact CE1-CB 4.33Å; F874-L910 HydrophobicContact CE1-CD1 3.76Å; F874-L910 HydrophobicContact CE2-CD1 3.81Å; F874-L910 HydrophobicContact CG-CD1 4.28Å; F874-L910 HydrophobicContact CZ-CB 3.95Å; F874-L910 HydrophobicContact CZ-CD1 3.62Å; F874-L910 HydrophobicContact CZ-CG 4.29Å; F874-L913 HydrophobicContact CD1-CD1 3.35Å; F874-L913 HydrophobicContact CE1-CD1 3.56Å
875P75.4Confident81.2Confident40 Ų4030 Ų3026%0.2620%0.198SC..THydrogen-bonded Turntrans-61.3-13.7-177.6-24.833.5000115.8V1245P875-V1245 HydrophobicContact CB-CG2 4.48Å; P875-V1245 HydrophobicContact CG-CB 4.36Å; P875-V1245 HydrophobicContact CG-CG1 3.71Å; P875-V1245 HydrophobicContact CG-CG2 3.64Å
876W81.3Confident81.4Confident14 Ų1429 Ų295%0.05319%0.193CC..THydrogen-bonded Turntrans-102.65.1-176.4-59.2-12.3000113.1F874 N878 L885 L913 K921 L925 M1032 F1241F874-W876 PolarHBondContact O-N 3Å; W876-N878 PolarHBondContact O-N 3.49Å; W876-L885 HydrophobicContact CB-CD2 4.15Å; W876-L913 HydrophobicContact CD2-CD2 4.09Å; W876-L913 HydrophobicContact CE3-CD2 3.82Å; W876-L913 HydrophobicContact CH2-CD2 3.23Å; W876-L913 HydrophobicContact CZ2-CD2 3.52Å; W876-L913 HydrophobicContact CZ3-CD2 3.4Å; W876-L913 VanDerWaalsContact CZ3-CD2 3.4Å; W876-K921 HydrophobicContact CH2-CB 4.37Å; W876-K921 HydrophobicContact CZ2-CB 4.21Å; W876-L925 HydrophobicContact CE3-CD1 4.17Å; W876-L925 HydrophobicContact CH2-CB 3.96Å; W876-L925 HydrophobicContact CZ3-CB 3.9Å; W876-L925 HydrophobicContact CZ3-CD1 3.86Å; W876-L925 HydrophobicContact CZ3-CG 4.4Å; W876-M1032 HydrophobicContact CB-CE 3.99Å; W876-M1032 HydrophobicContact CB-CG 4.04Å; W876-M1032 HydrophobicContact CB-SD 4Å; W876-M1032 HydrophobicContact CD2-CE 3.57Å; W876-M1032 HydrophobicContact CD2-SD 4.19Å; W876-M1032 HydrophobicContact CE3-CE 4.2Å; W876-M1032 HydrophobicContact CE3-SD 4.37Å; W876-M1032 HydrophobicContact CG-CE 3.45Å; W876-M1032 VanDerWaalsContact CG-CE 3.45Å; W876-M1032 HydrophobicContact CG-SD 4.05Å; W876-F1241 AromaticContact CE2-CE1 3.97Å; W876-F1241 HydrophobicContact CH2-CE1 4.31Å; W876-F1241 AromaticContact CZ2-CD1 3.84Å; W876-F1241 HydrophobicContact CZ2-CD1 3.84Å; W876-F1241 AromaticContact CZ2-CE1 3.6Å; W876-F1241 HydrophobicContact CZ2-CE1 3.6Å
877A75.8Confident81.4Confident16 Ų1630.6 Ų30.613%0.13220%0.202CC..  trans-80.124.1-173.600000114.5F870 F874 S882F870-A877 HydrophobicContact CD1-CB 3.67Å; F870-A877 HydrophobicContact CE1-CB 3.78Å; F874-A877 HydrophobicContact CB-CB 4.4Å; F874-A877 WeakPolarHBondContact O-CB 3.37Å; F874-A877 PolarHBondContact O-N 3.27Å; F874-A877 VanDerWaalsContact O-N 3.15Å; A877-S882 VanDerWaalsContact CA-OG 3.25Å; A877-S882 WeakPolarHBondContact CA-OG 3.49Å; A877-S882 WeakPolarHBondContact CB-OG 3.4Å; A877-S882 VanDerWaalsContact O-CB 3.3Å; A877-S882 WeakPolarHBondContact O-CB 3.48Å; A877-S882 PolarHBondContact O-OG 3.17Å
878N70.6Confident81.5Confident56 Ų5630.3 Ų30.330%0.29920%0.2SC..  trans-93.4147.7-175.5-67.77000112.5W876 S1031W876-N878 PolarHBondContact O-N 3.49Å; N878-S1031 PolarHBondContact O-OG 3.04Å
879G69.8Low81.8Confident42 Ų4230 Ų3043%0.43320%0.196SC..SBendtrans69.1-173.1176.800000115H881 S882 S1031G879-H881 VanDerWaalsContact C-N 3.35Å; G879-H881 PolarHBondContact O-N 3.08Å; G879-S882 WeakPolarHBondContact O-CB 3.45Å; G879-S882 PolarHBondContact O-N 2.66Å; G879-S1031 WeakPolarHBondContact CA-OG 3.33Å
880A71.9Confident82Confident94 Ų9430.3 Ų30.378%0.77720%0.197SC*.THydrogen-bonded Turntrans-69.4-22.4-168.200000115.2S882 S1031A880-S882 VanDerWaalsContact C-N 3.31Å; A880-S882 PolarHBondContact O-N 3.47Å; A880-S1031 PolarHBondContact N-OG 3.23Å
881H77.2Confident81.9Confident39 Ų3934.8 Ų34.818%0.18121%0.214CC..THydrogen-bonded Turntrans-83.2-0.2178.9-89.2-108.5000114.2G879 D883 P884 L885 E1024 S1031G879-H881 VanDerWaalsContact C-N 3.35Å; G879-H881 PolarHBondContact O-N 3.08Å; H881-D883 PolarHBondContact O-N 3.25Å; H881-P884 WeakPolarHBondContact O-CD 3.33Å; H881-L885 WeakPolarHBondContact O-CB 3.37Å; H881-L885 PolarHBondContact O-N 3.38Å; H881-E1024 IonicContact CE1-OE1 2.69Å; H881-E1024 PolarHBondContact CE1-OE1 3.01Å; H881-E1024 IonicContact CE1-OE2 3.78Å; H881-E1024 IonicContact ND1-OE1 2.61Å; H881-S1031 PolarHBondContact N-OG 3.29Å; H881-S1031 VanDerWaalsContact N-OG 3.1Å
882S82.3Confident82Confident13 Ų1333.5 Ų33.59%0.09120%0.199CC..Hα-helixtrans-54.7-45.7-178.2-1700000113.8A877 G879 A880 L885 A886A877-S882 VanDerWaalsContact CA-OG 3.25Å; A877-S882 WeakPolarHBondContact CA-OG 3.49Å; A877-S882 WeakPolarHBondContact CB-OG 3.4Å; A877-S882 VanDerWaalsContact O-CB 3.3Å; A877-S882 WeakPolarHBondContact O-CB 3.48Å; A877-S882 PolarHBondContact O-OG 3.17Å; G879-S882 WeakPolarHBondContact O-CB 3.45Å; G879-S882 PolarHBondContact O-N 2.66Å; A880-S882 VanDerWaalsContact C-N 3.31Å; A880-S882 PolarHBondContact O-N 3.47Å; S882-L885 PolarHBondContact O-N 2.87Å; S882-A886 WeakPolarHBondContact O-CB 3.32Å; S882-A886 PolarHBondContact O-N 3.05Å
883D83.1Confident82.2Confident82 Ų8233.2 Ų33.244%0.43920%0.197SC..Hα-helixtrans-67.8-50.4179.8-107.938.5000113.1K867 H881 L885 A886 V887K867-D883 IonicContact NZ-OD2 2.69Å; K867-D883 PolarHBondContact NZ-OD2 3.19Å; H881-D883 PolarHBondContact O-N 3.25Å; D883-L885 VanDerWaalsContact C-N 3.26Å; D883-L885 PolarHBondContact O-N 3Å; D883-A886 PolarHBondContact O-N 2.67Å; D883-V887 WeakPolarHBondContact O-CG2 3.44Å; D883-V887 PolarHBondContact O-N 2.7Å; D883-V887 VanDerWaalsContact O-N 3.08Å
884P84.8Confident82.3Confident53 Ų5334.2 Ų34.234%0.34420%0.202SC..Hα-helixtrans-55.1-38.8170.2-28.534.6000113.7H881 V887 R888H881-P884 WeakPolarHBondContact O-CD 3.33Å; P884-V887 PolarHBondContact O-N 2.81Å; P884-R888 WeakPolarHBondContact O-CG 3.2Å; P884-R888 PolarHBondContact O-N 3.09Å
885L86.6Confident82.3Confident2 Ų242.7 Ų42.71%0.0124%0.242CC..Hα-helixtrans-66.7-44.1179.6-165.865.9000111.5F870 W876 H881 S882 D883 V887 R888 F889 L925 M928 T1028 M1032F870-L885 HydrophobicContact CE1-CB 4.44Å; F870-L885 HydrophobicContact CE1-CD2 4.3Å; F870-L885 HydrophobicContact CE1-CG 4.49Å; F870-L885 HydrophobicContact CZ-CB 4.47Å; F870-L885 HydrophobicContact CZ-CD2 4.01Å; F870-L885 HydrophobicContact CZ-CG 4.1Å; W876-L885 HydrophobicContact CB-CD2 4.15Å; H881-L885 WeakPolarHBondContact O-CB 3.37Å; H881-L885 PolarHBondContact O-N 3.38Å; S882-L885 PolarHBondContact O-N 2.87Å; D883-L885 VanDerWaalsContact C-N 3.26Å; D883-L885 PolarHBondContact O-N 3Å; L885-V887 PolarHBondContact O-N 3Å; L885-R888 PolarHBondContact O-N 3.47Å; L885-F889 WeakPolarHBondContact O-CB 3.21Å; L885-F889 PolarHBondContact O-N 3.1Å; L885-L925 HydrophobicContact CD1-CD1 4.49Å; L885-M928 HydrophobicContact CD1-CE 3.29Å; L885-M928 HydrophobicContact CG-CE 3.64Å; L885-T1028 HydrophobicContact CD1-CG2 3.59Å; L885-T1028 HydrophobicContact CD2-CG2 4.14Å; L885-T1028 HydrophobicContact CG-CG2 4.47Å; L885-M1032 HydrophobicContact CD2-CG 4.46Å; L885-M1032 HydrophobicContact CD2-SD 4.26Å
886A87.8Confident82.4Confident1 Ų146 Ų461%0.00826%0.258CS..Hα-helixtrans-60.5-41.4174.900000112.3F866 K867 F870 S882 D883 F889 F890F866-A886 WeakPolarHBondContact CE1-O 3.44Å; K867-A886 HydrophobicContact CB-CB 4.49Å; K867-A886 HydrophobicContact CG-CB 3.9Å; F870-A886 HydrophobicContact CB-CB 4Å; F870-A886 HydrophobicContact CD1-CB 3.67Å; F870-A886 HydrophobicContact CD2-CB 4.28Å; F870-A886 HydrophobicContact CE1-CB 4.17Å; F870-A886 HydrophobicContact CG-CB 3.73Å; S882-A886 WeakPolarHBondContact O-CB 3.32Å; S882-A886 PolarHBondContact O-N 3.05Å; D883-A886 PolarHBondContact O-N 2.67Å; A886-F889 PolarHBondContact O-N 3.08Å; A886-F890 WeakPolarHBondContact O-CB 3.48Å; A886-F890 PolarHBondContact O-N 2.96Å
887V87.8Confident82.3Confident32 Ų3248.2 Ų48.219%0.19429%0.285CS..Hα-helixtrans-66.9-41.9177.3174.40000111.9V863 D883 P884 L885 F889 R891V863-V887 HydrophobicContact CG2-CB 4.48Å; V863-V887 HydrophobicContact CG2-CG2 3.94Å; D883-V887 WeakPolarHBondContact O-CG2 3.44Å; D883-V887 PolarHBondContact O-N 2.7Å; D883-V887 VanDerWaalsContact O-N 3.08Å; P884-V887 PolarHBondContact O-N 2.81Å; L885-V887 PolarHBondContact O-N 3Å; V887-F889 VanDerWaalsContact C-N 3.33Å; V887-R891 WeakPolarHBondContact O-CG 3.4Å; V887-R891 PolarHBondContact O-N 3.44Å
888R87.9Confident82.5Confident28 Ų2850.5 Ų50.511%0.10630%0.295CS..Hα-helixtrans-63-40.7174.6-70.2172-158.9-108.9-1.4111.3P884 L885 L892 M928 L931 E933 E1024P884-R888 WeakPolarHBondContact O-CG 3.2Å; P884-R888 PolarHBondContact O-N 3.09Å; L885-R888 PolarHBondContact O-N 3.47Å; R888-L892 PolarHBondContact O-N 3.22Å; R888-M928 HydrophobicContact CB-CB 4.43Å; R888-L931 WeakPolarHBondContact O-CD1 3.44Å; R888-E933 IonicContact CZ-OE1 2.7Å; R888-E933 VanDerWaalsContact CZ-OE1 3.31Å; R888-E933 IonicContact NH1-OE1 2.71Å; R888-E933 PolarHBondContact NH1-OE1 3.37Å; R888-E933 IonicContact NH2-OE1 2.81Å; R888-E933 PolarHBondContact NH2-OE1 3.46Å; R888-E1024 IonicContact CZ-OE1 2.65Å; R888-E1024 VanDerWaalsContact NH2-CG 3.27Å; R888-E1024 IonicContact NH2-OE1 3.18Å; R888-E1024 PolarHBondContact NH2-OE1 3.43Å
889F89.6Confident83.1Confident1 Ų150.3 Ų50.30%0.00430%0.301CS..Hα-helixtrans-71.3-39.7179.6-173.8-132.1000112.9F866 F870 F874 L885 A886 V887 R891 L892 L893 L913 L924 M928F866-F889 HydrophobicContact CE1-CB 4.41Å; F866-F889 AromaticContact CE1-CD1 3.73Å; F866-F889 HydrophobicContact CE1-CD1 3.73Å; F866-F889 HydrophobicContact CE1-CE1 4.42Å; F866-F889 HydrophobicContact CE1-CG 4.46Å; F866-F889 AromaticContact CZ-CD1 3.38Å; F866-F889 HydrophobicContact CZ-CD1 3.38Å; F866-F889 AromaticContact CZ-CE1 3.66Å; F866-F889 HydrophobicContact CZ-CE1 3.66Å; F866-F889 HydrophobicContact CZ-CG 4.29Å; F870-F889 AromaticContact CD2-CD1 3.99Å; F870-F889 HydrophobicContact CD2-CD1 3.99Å; F870-F889 AromaticContact CE2-CD1 3.69Å; F870-F889 HydrophobicContact CE2-CD1 3.69Å; F870-F889 HydrophobicContact CE2-CE1 4.38Å; F870-F889 HydrophobicContact CE2-CG 4.44Å; F874-F889 HydrophobicContact CD1-CE1 4.05Å; F874-F889 HydrophobicContact CE1-CD1 4.08Å; F874-F889 AromaticContact CE1-CE1 3.25Å; F874-F889 HydrophobicContact CE1-CE1 3.25Å; F874-F889 AromaticContact CE1-CZ 3.96Å; F874-F889 HydrophobicContact CE1-CZ 3.96Å; F874-F889 AromaticContact CZ-CE1 3.81Å; F874-F889 HydrophobicContact CZ-CE1 3.81Å; L885-F889 WeakPolarHBondContact O-CB 3.21Å; L885-F889 PolarHBondContact O-N 3.1Å; A886-F889 PolarHBondContact O-N 3.08Å; V887-F889 VanDerWaalsContact C-N 3.33Å; F889-R891 VanDerWaalsContact C-N 3.34Å; F889-R891 PolarHBondContact O-N 3.24Å; F889-L892 WeakPolarHBondContact O-CB 3.4Å; F889-L892 PolarHBondContact O-N 3.39Å; F889-L893 HydrophobicContact CD1-CD1 4.44Å; F889-L893 HydrophobicContact CD2-CG 4.48Å; F889-L893 HydrophobicContact CE1-CD1 3.88Å; F889-L893 HydrophobicContact CE2-CD1 4.15Å; F889-L893 HydrophobicContact CE2-CD2 4.06Å; F889-L893 HydrophobicContact CE2-CG 4.09Å; F889-L893 HydrophobicContact CZ-CD1 3.76Å; F889-L893 HydrophobicContact CZ-CD2 4.23Å; F889-L893 HydrophobicContact CZ-CG 4.21Å; F889-L893 PolarHBondContact O-N 2.94Å; F889-L913 HydrophobicContact CZ-CD1 4.45Å; F889-L924 HydrophobicContact CD2-CD1 4.3Å; F889-L924 HydrophobicContact CE2-CD1 3.94Å; F889-L924 HydrophobicContact CE2-CD2 4.02Å; F889-L924 HydrophobicContact CE2-CG 4.39Å; F889-M928 HydrophobicContact CB-CE 3.77Å; F889-M928 HydrophobicContact CB-CG 4.42Å; F889-M928 HydrophobicContact CB-SD 3.99Å; F889-M928 HydrophobicContact CD2-CE 4.44Å; F889-M928 HydrophobicContact CD2-CG 4.17Å; F889-M928 HydrophobicContact CD2-SD 3.57Å; F889-M928 VanDerWaalsContact CD2-SD 3.57Å; F889-M928 HydrophobicContact CE2-SD 4.42Å; F889-M928 HydrophobicContact CG-CE 4.3Å; F889-M928 HydrophobicContact CG-SD 4.02Å
890F89.5Confident83.8Confident8 Ų849.3 Ų49.34%0.03529%0.286CS..Hα-helixtrans-53.4-50.9173.3-176.4-86.9000111.5D862 V863 F866 A886 L892 L893 D894 A899 L901D862-F890 VanDerWaalsContact C-CE2 3.46Å; V863-F890 HydrophobicContact CB-CD1 4.08Å; V863-F890 HydrophobicContact CB-CD2 4.11Å; V863-F890 HydrophobicContact CB-CE1 4.19Å; V863-F890 HydrophobicContact CB-CE2 4.19Å; V863-F890 HydrophobicContact CB-CG 4.04Å; V863-F890 HydrophobicContact CB-CZ 4.24Å; V863-F890 HydrophobicContact CG2-CB 4.09Å; V863-F890 HydrophobicContact CG2-CD1 4.2Å; V863-F890 HydrophobicContact CG2-CD2 4.3Å; V863-F890 HydrophobicContact CG2-CG 3.93Å; F866-F890 HydrophobicContact CB-CD2 3.57Å; F866-F890 HydrophobicContact CB-CE2 4.01Å; F866-F890 HydrophobicContact CD1-CB 3.9Å; F866-F890 AromaticContact CD1-CD2 3.9Å; F866-F890 HydrophobicContact CD1-CD2 3.9Å; F866-F890 HydrophobicContact CD1-CG 4.42Å; F866-F890 HydrophobicContact CD2-CD2 4.03Å; F866-F890 HydrophobicContact CE1-CB 4.02Å; F866-F890 HydrophobicContact CG-CB 4.45Å; F866-F890 AromaticContact CG-CD2 3.59Å; F866-F890 HydrophobicContact CG-CD2 3.59Å; F866-F890 HydrophobicContact CG-CE2 4.38Å; A886-F890 WeakPolarHBondContact O-CB 3.48Å; A886-F890 PolarHBondContact O-N 2.96Å; F890-L892 PolarHBondContact O-N 3.45Å; F890-L893 PolarHBondContact O-N 2.79Å; F890-L893 VanDerWaalsContact O-N 3.09Å; F890-D894 HydrophobicContact CE1-CB 4.42Å; F890-D894 WeakPolarHBondContact O-CB 3.49Å; F890-D894 PolarHBondContact O-N 2.9Å; F890-A899 WeakPolarHBondContact CZ-O 3.5Å; F890-L901 HydrophobicContact CD2-CD1 3.45Å; F890-L901 VanDerWaalsContact CD2-CD1 3.45Å; F890-L901 HydrophobicContact CD2-CG 3.84Å; F890-L901 HydrophobicContact CE2-CB 4.31Å; F890-L901 HydrophobicContact CE2-CD1 3.68Å; F890-L901 HydrophobicContact CE2-CG 3.55Å; F890-L901 HydrophobicContact CG-CD1 4.13Å; F890-L901 HydrophobicContact CZ-CD1 4.48Å; F890-L901 HydrophobicContact CZ-CG 3.96Å
891R86.4Confident84.5Confident96 Ų9644.9 Ų44.936%0.36225%0.249SC..Hα-helixtrans-65.2-15.8177.8-65.7-179-163.4157.67.5114.6V887 F889 L931V887-R891 WeakPolarHBondContact O-CG 3.4Å; V887-R891 PolarHBondContact O-N 3.44Å; F889-R891 VanDerWaalsContact C-N 3.34Å; F889-R891 PolarHBondContact O-N 3.24Å; R891-L931 HydrophobicContact CB-CD1 4.09Å
892L87.2Confident84.9Confident36 Ų3644.1 Ų44.119%0.18825%0.246CC..Hα-helixtrans-87.2-22.7175.8-17359.1000112.2R888 F889 F890 L924 K927 M928 L931R888-L892 PolarHBondContact O-N 3.22Å; F889-L892 WeakPolarHBondContact O-CB 3.4Å; F889-L892 PolarHBondContact O-N 3.39Å; F890-L892 PolarHBondContact O-N 3.45Å; L892-L924 HydrophobicContact CD2-CD1 3.53Å; L892-K927 HydrophobicContact CD1-CB 4.15Å; L892-K927 HydrophobicContact CD1-CD 4.24Å; L892-K927 HydrophobicContact CD2-CB 3.67Å; L892-M928 HydrophobicContact CD2-CG 3.55Å; L892-L931 HydrophobicContact CB-CD1 4.16Å
893L87.6Confident85.2Confident27 Ų2743.6 Ų43.614%0.14124%0.242CC..Hα-helixtrans-91.2-23.9173.5-58.8177.6000112.2F866 F889 F890 E895 L901 D905F866-L893 HydrophobicContact CE2-CD1 3.96Å; F866-L893 HydrophobicContact CZ-CD1 3.92Å; F889-L893 HydrophobicContact CD1-CD1 4.44Å; F889-L893 HydrophobicContact CD2-CG 4.48Å; F889-L893 HydrophobicContact CE1-CD1 3.88Å; F889-L893 HydrophobicContact CE2-CD1 4.15Å; F889-L893 HydrophobicContact CE2-CD2 4.06Å; F889-L893 HydrophobicContact CE2-CG 4.09Å; F889-L893 HydrophobicContact CZ-CD1 3.76Å; F889-L893 HydrophobicContact CZ-CD2 4.23Å; F889-L893 HydrophobicContact CZ-CG 4.21Å; F889-L893 PolarHBondContact O-N 2.94Å; F890-L893 PolarHBondContact O-N 2.79Å; F890-L893 VanDerWaalsContact O-N 3.09Å; L893-E895 PolarHBondContact O-N 2.86Å; L893-L901 VanDerWaalsContact C-CD2 3.42Å; L893-L901 HydrophobicContact CB-CD1 3.82Å; L893-L901 HydrophobicContact CB-CD2 3.58Å; L893-L901 HydrophobicContact CB-CG 4.37Å; L893-L901 HydrophobicContact CD1-CD1 3.9Å; L893-L901 HydrophobicContact CG-CD1 4.48Å; L893-D905 HydrophobicContact CB-CB 4.39Å
894D86.6Confident85.4Confident28 Ų2842.8 Ų42.815%0.1523%0.233CC..  trans-75.564177.1-174.69.4000110.9F890 N896 G897 D898 A899 L901F890-D894 HydrophobicContact CE1-CB 4.42Å; F890-D894 WeakPolarHBondContact O-CB 3.49Å; F890-D894 PolarHBondContact O-N 2.9Å; D894-N896 PolarHBondContact O-N 3.26Å; D894-N896 PolarHBondContact OD1-OD1 2.69Å; D894-G897 PolarHBondContact O-N 3.48Å; D894-G897 WeakPolarHBondContact OD1-CA 3.28Å; D894-G897 PolarHBondContact OD1-N 3.22Å; D894-D898 PolarHBondContact OD1-N 2.85Å; D894-A899 PolarHBondContact OD1-N 3.3Å; D894-A899 VanDerWaalsContact OD2-CA 3.31Å; D894-A899 WeakPolarHBondContact OD2-CA 3.48Å; D894-A899 PolarHBondContact OD2-N 2.72Å; D894-L901 HydrophobicContact CB-CD2 4.03Å
895E78.6Confident85.6Confident188 Ų18842 Ų4288%0.87923%0.226SC*.SBendtrans-67.3-21.1-177-67-165.5167.100113.3L893L893-E895 PolarHBondContact O-N 2.86Å
896N79.2Confident85.8Confident111 Ų11142 Ų4259%0.59423%0.226SC*.SBendtrans-95.3-1718074.81000113.7D894 D898D894-N896 PolarHBondContact O-N 3.26Å; D894-N896 PolarHBondContact OD1-OD1 2.69Å; N896-D898 VanDerWaalsContact ND2-CG 3.34Å; N896-D898 PolarHBondContact ND2-OD2 2.8Å; N896-D898 PolarHBondContact OD1-N 3.13Å; N896-D898 PolarHBondContact OD1-OD1 3.11Å; N896-D898 PolarHBondContact OD1-OD2 2.85Å
897G78Confident85.9Confident60 Ų6041.9 Ų41.962%0.61923%0.226SC*.SBendtrans74.822.6178.700000114.6D894 A899D894-G897 PolarHBondContact O-N 3.48Å; D894-G897 WeakPolarHBondContact OD1-CA 3.28Å; D894-G897 PolarHBondContact OD1-N 3.22Å; G897-A899 VanDerWaalsContact C-N 3.35Å
898D79.6Confident85.9Confident63 Ų6343.2 Ų43.234%0.33723%0.232SC..SBendtrans-89.1-0.2177.178.925.8000114.1R860 D894 N896 L900R860-D898 IonicContact CZ-OD2 3.4Å; R860-D898 IonicContact NH1-OD1 3.74Å; R860-D898 IonicContact NH1-OD2 3.87Å; R860-D898 PolarHBondContact NH1-OD2 2.69Å; D894-D898 PolarHBondContact OD1-N 2.85Å; N896-D898 VanDerWaalsContact ND2-CG 3.34Å; N896-D898 PolarHBondContact ND2-OD2 2.8Å; N896-D898 PolarHBondContact OD1-N 3.13Å; N896-D898 PolarHBondContact OD1-OD1 3.11Å; N896-D898 PolarHBondContact OD1-OD2 2.85Å; D898-L900 VanDerWaalsContact C-N 3.26Å; D898-L900 PolarHBondContact O-N 3.44Å; D898-L900 WeakPolarHBondContact OD1-CB 3.44Å; D898-L900 PolarHBondContact OD1-N 2.86Å
899A83.9Confident85.8Confident53 Ų5342.1 Ų42.144%0.43823%0.229SC..SBendtrans61.925.2179.400000114.9F890 D894 G897F890-A899 WeakPolarHBondContact CZ-O 3.5Å; D894-A899 PolarHBondContact OD1-N 3.3Å; D894-A899 VanDerWaalsContact OD2-CA 3.31Å; D894-A899 WeakPolarHBondContact OD2-CA 3.48Å; D894-A899 PolarHBondContact OD2-N 2.72Å; G897-A899 VanDerWaalsContact C-N 3.35Å
900L83.6Confident85.8Confident21 Ų2142.2 Ų42.211%0.1123%0.229CC..  trans-138.8104.1177.7-62.8171.9000112.7E847 R848 R860 I861 D862 D898E847-L900 WeakPolarHBondContact O-CD1 3.31Å; R848-L900 HydrophobicContact CG-CD1 4.17Å; R848-L900 HydrophobicContact CG-CD2 4.01Å; R860-L900 HydrophobicContact CB-CB 3.92Å; I861-L900 WeakPolarHBondContact O-CA 3.46Å; D862-L900 HydrophobicContact CB-CD2 4.25Å; D898-L900 VanDerWaalsContact C-N 3.26Å; D898-L900 PolarHBondContact O-N 3.44Å; D898-L900 WeakPolarHBondContact OD1-CB 3.44Å; D898-L900 PolarHBondContact OD1-N 2.86Å
901L86.4Confident85.7Confident1 Ų142.7 Ų42.71%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-75.6134.2177-60.6-179.3000112R860 I861 F866 F890 L893 D894 D905R860-L901 CarbonylContact C-O 3.58Å; R860-L901 WeakPolarHBondContact CA-O 3.5Å; I861-L901 HydrophobicContact CG1-CB 4.23Å; I861-L901 PolarHBondContact N-O 2.98Å; I861-L901 PolarHBondContact O-N 3.49Å; F866-L901 HydrophobicContact CD2-CD1 3.65Å; F866-L901 HydrophobicContact CE2-CD1 3.54Å; F866-L901 HydrophobicContact CG-CD1 4.42Å; F866-L901 HydrophobicContact CZ-CD1 4.24Å; F890-L901 HydrophobicContact CD2-CD1 3.45Å; F890-L901 VanDerWaalsContact CD2-CD1 3.45Å; F890-L901 HydrophobicContact CD2-CG 3.84Å; F890-L901 HydrophobicContact CE2-CB 4.31Å; F890-L901 HydrophobicContact CE2-CD1 3.68Å; F890-L901 HydrophobicContact CE2-CG 3.55Å; F890-L901 HydrophobicContact CG-CD1 4.13Å; F890-L901 HydrophobicContact CZ-CD1 4.48Å; F890-L901 HydrophobicContact CZ-CG 3.96Å; L893-L901 VanDerWaalsContact C-CD2 3.42Å; L893-L901 HydrophobicContact CB-CD1 3.82Å; L893-L901 HydrophobicContact CB-CD2 3.58Å; L893-L901 HydrophobicContact CB-CG 4.37Å; L893-L901 HydrophobicContact CD1-CD1 3.9Å; L893-L901 HydrophobicContact CG-CD1 4.48Å; D894-L901 HydrophobicContact CB-CD2 4.03Å; L901-D905 HydrophobicContact CD2-CB 4.23Å
902N87.1Confident85.7Confident22 Ų2240.3 Ų40.312%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-88.2175.2169.381.774.1000111.3R860 R904 D905 F906R860-N902 HydrophobicContact CG-CB 4.29Å; N902-R904 VanDerWaalsContact C-N 3.34Å; N902-R904 PolarHBondContact O-N 2.64Å; N902-R904 WeakPolarHBondContact OD1-CB 3.13Å; N902-R904 PolarHBondContact OD1-N 3.48Å; N902-D905 VanDerWaalsContact CG-OD2 3.25Å; N902-D905 PolarHBondContact N-OD2 3.38Å; N902-D905 PolarHBondContact ND2-OD1 2.89Å; N902-D905 PolarHBondContact ND2-OD2 2.77Å; N902-D905 PolarHBondContact O-N 3.48Å; N902-F906 PolarHBondContact O-N 2.85Å
903F88.6Confident85.5Confident2 Ų238.9 Ų38.91%0.00922%0.222CC..Hα-helixtrans-66.6-31-175.3-177.6-111.3000113.9V807 I811 L825 Y826 F829 F906 I907V807-F903 HydrophobicContact CG1-CD1 3.43Å; V807-F903 VanDerWaalsContact CG1-CD1 3.43Å; V807-F903 HydrophobicContact CG1-CE1 3.85Å; V807-F903 HydrophobicContact CG1-CG 4.45Å; I811-F903 HydrophobicContact CD1-CD1 3.46Å; I811-F903 VanDerWaalsContact CD1-CD1 3.46Å; I811-F903 HydrophobicContact CD1-CE1 3.86Å; L825-F903 HydrophobicContact CB-CE2 4.36Å; L825-F903 HydrophobicContact CB-CZ 4.34Å; Y826-F903 VanDerWaalsContact CA-CE2 3.41Å; Y826-F903 HydrophobicContact CD2-CB 4.5Å; Y826-F903 AromaticContact CD2-CD1 3.7Å; Y826-F903 HydrophobicContact CD2-CD1 3.7Å; Y826-F903 HydrophobicContact CD2-CD2 4.11Å; Y826-F903 AromaticContact CD2-CE1 3.82Å; Y826-F903 HydrophobicContact CD2-CE1 3.82Å; Y826-F903 HydrophobicContact CD2-CE2 4.23Å; Y826-F903 AromaticContact CD2-CG 3.83Å; Y826-F903 HydrophobicContact CD2-CG 3.83Å; Y826-F903 HydrophobicContact CD2-CZ 4.08Å; Y826-F903 HydrophobicContact CE2-CD1 4.42Å; Y826-F903 HydrophobicContact CE2-CG 4.46Å; Y826-F903 HydrophobicContact CG-CE1 4.42Å; Y826-F903 HydrophobicContact CG-CZ 4.37Å; F829-F903 HydrophobicContact CB-CD2 3.74Å; F829-F903 HydrophobicContact CB-CE2 3.98Å; F829-F903 HydrophobicContact CD1-CB 4.15Å; F829-F903 AromaticContact CD1-CD2 3.88Å; F829-F903 HydrophobicContact CD1-CD2 3.88Å; F829-F903 HydrophobicContact CD1-CG 4.44Å; F829-F903 AromaticContact CD2-CD2 3.95Å; F829-F903 HydrophobicContact CD2-CD2 3.95Å; F829-F903 HydrophobicContact CE1-CB 3.95Å; F829-F903 HydrophobicContact CE1-CD2 4.45Å; F829-F903 HydrophobicContact CE2-CD2 4.5Å; F829-F903 AromaticContact CG-CD2 3.61Å; F829-F903 HydrophobicContact CG-CD2 3.61Å; F829-F903 HydrophobicContact CG-CE2 4.35Å; F829-F903 HydrophobicContact CZ-CB 4.17Å; F903-F906 HydrophobicContact CD2-CD1 4.42Å; F903-F906 HydrophobicContact CE2-CD1 4.47Å; F903-I907 HydrophobicContact CD1-CG1 4.17Å; F903-I907 HydrophobicContact CD2-CD1 4.44Å; F903-I907 HydrophobicContact CD2-CG1 3.98Å; F903-I907 HydrophobicContact CE1-CD1 4.41Å; F903-I907 HydrophobicContact CE1-CG1 3.73Å; F903-I907 HydrophobicContact CE2-CD1 3.6Å; F903-I907 HydrophobicContact CE2-CG1 3.5Å; F903-I907 HydrophobicContact CG-CG1 4.3Å; F903-I907 HydrophobicContact CZ-CD1 3.59Å; F903-I907 HydrophobicContact CZ-CG1 3.38Å; F903-I907 VanDerWaalsContact O-CG1 3.29Å; F903-I907 WeakPolarHBondContact O-CG1 3.28Å; F903-I907 PolarHBondContact O-N 3.21Å
904R87.4Confident85.3Confident65 Ų6538.1 Ų38.125%0.24522%0.219CC..Hα-helixtrans-64.8-47.5177-171.7-176-175.9-143.97.1110.6I811 E814 N902 F906 I907 N908I811-R904 HydrophobicContact CD1-CB 4.09Å; I811-R904 HydrophobicContact CD1-CG 4.48Å; I811-R904 HydrophobicContact CG1-CB 4.45Å; I811-R904 HydrophobicContact CG1-CG 4.32Å; E814-R904 VanDerWaalsContact CD-NH2 3.3Å; E814-R904 IonicContact OE1-CZ 2.78Å; E814-R904 IonicContact OE1-NE 2.79Å; E814-R904 IonicContact OE1-NH2 3.88Å; E814-R904 PolarHBondContact OE1-NH2 2.9Å; E814-R904 IonicContact OE2-CZ 3.12Å; E814-R904 IonicContact OE2-NE 3.13Å; E814-R904 PolarHBondContact OE2-NE 3.39Å; E814-R904 IonicContact OE2-NH2 3.85Å; E814-R904 PolarHBondContact OE2-NH2 3.12Å; E814-R904 VanDerWaalsContact OE2-NH2 3.09Å; N902-R904 VanDerWaalsContact C-N 3.34Å; N902-R904 PolarHBondContact O-N 2.64Å; N902-R904 WeakPolarHBondContact OD1-CB 3.13Å; N902-R904 PolarHBondContact OD1-N 3.48Å; R904-F906 VanDerWaalsContact C-N 3.35Å; R904-F906 PolarHBondContact O-N 3.48Å; R904-I907 PolarHBondContact O-N 2.84Å; R904-N908 VanDerWaalsContact O-CB 3.31Å; R904-N908 WeakPolarHBondContact O-CB 3.34Å; R904-N908 PolarHBondContact O-N 3.46Å; R904-N908 PolarHBondContact O-OD1 3.09Å
905D88.4Confident85.2Confident38 Ų3840.7 Ų40.720%0.20323%0.23CC..Hα-helixtrans-62.3-45.3-179.1-29.7-34.8000110.4L893 L901 N902 I907 N908 G909L893-D905 HydrophobicContact CB-CB 4.39Å; L901-D905 HydrophobicContact CD2-CB 4.23Å; N902-D905 VanDerWaalsContact CG-OD2 3.25Å; N902-D905 PolarHBondContact N-OD2 3.38Å; N902-D905 PolarHBondContact ND2-OD1 2.89Å; N902-D905 PolarHBondContact ND2-OD2 2.77Å; N902-D905 PolarHBondContact O-N 3.48Å; D905-I907 PolarHBondContact O-N 3.21Å; D905-N908 PolarHBondContact O-N 3Å; D905-G909 PolarHBondContact O-N 2.93Å
906F89.7Confident85.4Confident0 Ų032.3 Ų32.30%019%0.194CC..Hα-helixtrans-57.6-48.2175.7176.5-95.4000112.7F829 I861 F866 L869 L873 F874 N902 F903 R904 L910F829-F906 HydrophobicContact CD2-CB 4.03Å; F829-F906 AromaticContact CD2-CD1 3.82Å; F829-F906 HydrophobicContact CD2-CD1 3.82Å; F829-F906 HydrophobicContact CD2-CD2 4.2Å; F829-F906 HydrophobicContact CD2-CE1 4.38Å; F829-F906 AromaticContact CD2-CG 3.73Å; F829-F906 HydrophobicContact CD2-CG 3.73Å; F829-F906 HydrophobicContact CE2-CB 3.74Å; F829-F906 HydrophobicContact CE2-CD1 4.42Å; F829-F906 HydrophobicContact CE2-CD2 4.37Å; F829-F906 AromaticContact CE2-CG 3.93Å; F829-F906 HydrophobicContact CE2-CG 3.93Å; I861-F906 HydrophobicContact CD1-CD2 4.31Å; F866-F906 HydrophobicContact CD2-CD2 4.07Å; F866-F906 HydrophobicContact CD2-CE2 4.48Å; F866-F906 AromaticContact CE2-CD2 3.85Å; F866-F906 HydrophobicContact CE2-CD2 3.85Å; F866-F906 HydrophobicContact CE2-CE2 4.33Å; L869-F906 HydrophobicContact CB-CE2 3.87Å; L869-F906 HydrophobicContact CB-CZ 4.14Å; L869-F906 HydrophobicContact CD1-CD2 4.36Å; L869-F906 HydrophobicContact CD1-CE2 3.81Å; L869-F906 HydrophobicContact CD1-CZ 4.05Å; L869-F906 HydrophobicContact CG-CE2 4.46Å; L873-F906 HydrophobicContact CD1-CZ 3.98Å; F874-F906 AromaticContact CE2-CE2 3.87Å; F874-F906 HydrophobicContact CE2-CE2 3.87Å; F874-F906 HydrophobicContact CE2-CZ 4.04Å; F874-F906 HydrophobicContact CZ-CE2 4.2Å; N902-F906 PolarHBondContact O-N 2.85Å; F903-F906 HydrophobicContact CD2-CD1 4.42Å; F903-F906 HydrophobicContact CE2-CD1 4.47Å; R904-F906 VanDerWaalsContact C-N 3.35Å; R904-F906 PolarHBondContact O-N 3.48Å; F906-L910 HydrophobicContact CE1-CD2 4.31Å; F906-L910 WeakPolarHBondContact O-CB 3.37Å; F906-L910 PolarHBondContact O-N 3.13Å
907I90.4Very high85.7Confident0 Ų031.2 Ų31.20%019%0.188CC..Hα-helixtrans-72.1-38.4179.8-64.6-64.7000111.8I811 T815 F817 L822 L825 F903 R904 D905 G909 L910 S911I811-I907 HydrophobicContact CG2-CB 4.44Å; I811-I907 HydrophobicContact CG2-CG2 3.98Å; T815-I907 HydrophobicContact CG2-CG2 3.9Å; F817-I907 HydrophobicContact CD2-CG2 3.7Å; F817-I907 HydrophobicContact CE2-CG2 3.76Å; L822-I907 HydrophobicContact CD2-CD1 4.38Å; L822-I907 HydrophobicContact CD2-CG1 4.4Å; L822-I907 HydrophobicContact CD2-CG2 3.67Å; L825-I907 HydrophobicContact CB-CD1 3.81Å; L825-I907 HydrophobicContact CD1-CD1 3.8Å; L825-I907 HydrophobicContact CG-CD1 4.34Å; F903-I907 HydrophobicContact CD1-CG1 4.17Å; F903-I907 HydrophobicContact CD2-CD1 4.44Å; F903-I907 HydrophobicContact CD2-CG1 3.98Å; F903-I907 HydrophobicContact CE1-CD1 4.41Å; F903-I907 HydrophobicContact CE1-CG1 3.73Å; F903-I907 HydrophobicContact CE2-CD1 3.6Å; F903-I907 HydrophobicContact CE2-CG1 3.5Å; F903-I907 HydrophobicContact CG-CG1 4.3Å; F903-I907 HydrophobicContact CZ-CD1 3.59Å; F903-I907 HydrophobicContact CZ-CG1 3.38Å; F903-I907 VanDerWaalsContact O-CG1 3.29Å; F903-I907 WeakPolarHBondContact O-CG1 3.28Å; F903-I907 PolarHBondContact O-N 3.21Å; R904-I907 PolarHBondContact O-N 2.84Å; D905-I907 PolarHBondContact O-N 3.21Å; I907-G909 VanDerWaalsContact C-N 3.3Å; I907-G909 PolarHBondContact O-N 3.42Å; I907-L910 PolarHBondContact O-N 3.42Å; I907-S911 VanDerWaalsContact O-CB 3.3Å; I907-S911 WeakPolarHBondContact O-CB 3.49Å; I907-S911 PolarHBondContact O-N 3.02Å
908N87.6Confident86.1Confident60 Ų6029.2 Ų29.232%0.32116%0.163SC..Hα-helixtrans-59.6-44.1176-74.4-8.4000110.7T815 R904 D905 S911T815-N908 WeakPolarHBondContact CG2-OD1 3.35Å; R904-N908 VanDerWaalsContact O-CB 3.31Å; R904-N908 WeakPolarHBondContact O-CB 3.34Å; R904-N908 PolarHBondContact O-N 3.46Å; R904-N908 PolarHBondContact O-OD1 3.09Å; D905-N908 PolarHBondContact O-N 3Å; N908-S911 PolarHBondContact O-N 3.42Å
909G86.6Confident86.5Confident4 Ų428.8 Ų28.84%0.04116%0.163CC..Hα-helixtrans-60.8-47.3172.800000113.5D905 I907D905-G909 PolarHBondContact O-N 2.93Å; I907-G909 VanDerWaalsContact C-N 3.3Å; I907-G909 PolarHBondContact O-N 3.42Å
910L88.4Confident86.6Confident4 Ų431.1 Ų31.12%0.02117%0.165CC..Hα-helixtrans-67-35.4179.4-17462.5000112.4F817 L825 F874 F906 I907 V912 L913 C914F817-L910 HydrophobicContact CZ-CB 4.41Å; F817-L910 HydrophobicContact CZ-CD2 4.2Å; F817-L910 HydrophobicContact CZ-CG 3.96Å; L825-L910 HydrophobicContact CD1-CD2 4.17Å; L825-L910 HydrophobicContact CD2-CD2 3.98Å; F874-L910 HydrophobicContact CD1-CD1 4.13Å; F874-L910 HydrophobicContact CD2-CD1 4.09Å; F874-L910 HydrophobicContact CE1-CB 4.33Å; F874-L910 HydrophobicContact CE1-CD1 3.76Å; F874-L910 HydrophobicContact CE2-CD1 3.81Å; F874-L910 HydrophobicContact CG-CD1 4.28Å; F874-L910 HydrophobicContact CZ-CB 3.95Å; F874-L910 HydrophobicContact CZ-CD1 3.62Å; F874-L910 HydrophobicContact CZ-CG 4.29Å; F906-L910 HydrophobicContact CE1-CD2 4.31Å; F906-L910 WeakPolarHBondContact O-CB 3.37Å; F906-L910 PolarHBondContact O-N 3.13Å; I907-L910 PolarHBondContact O-N 3.42Å; L910-V912 VanDerWaalsContact C-N 3.32Å; L910-V912 PolarHBondContact O-N 2.97Å; L910-L913 PolarHBondContact O-N 3.23Å; L910-L913 VanDerWaalsContact O-N 3.1Å; L910-C914 PolarHBondContact O-N 3.19Å
911S88.3Confident86.9Confident17 Ų1730.8 Ų30.812%0.11916%0.162CC..Hα-helixtrans-61.9-36.9-179-168.50000112.4I907 N908 L913 H915 G916I907-S911 VanDerWaalsContact O-CB 3.3Å; I907-S911 WeakPolarHBondContact O-CB 3.49Å; I907-S911 PolarHBondContact O-N 3.02Å; N908-S911 PolarHBondContact O-N 3.42Å; S911-L913 VanDerWaalsContact C-N 3.29Å; S911-L913 PolarHBondContact O-N 3.17Å; S911-H915 WeakPolarHBondContact O-CA 3.32Å; S911-H915 WeakPolarHBondContact O-CB 3.38Å; S911-H915 PolarHBondContact O-N 3.42Å; S911-G916 PolarHBondContact O-N 3.12Å
912V86Confident87Confident47 Ų4730.7 Ų30.729%0.28516%0.162SC..Hα-helixtrans-65.7-33.2176.7176.50000111.5L910 G916 E920 L924L910-V912 VanDerWaalsContact C-N 3.32Å; L910-V912 PolarHBondContact O-N 2.97Å; V912-G916 VanDerWaalsContact O-CA 3.27Å; V912-G916 WeakPolarHBondContact O-CA 3.24Å; V912-G916 PolarHBondContact O-N 3.39Å; V912-G916 VanDerWaalsContact O-N 3.09Å; V912-E920 HydrophobicContact CG1-CB 4.2Å; V912-L924 HydrophobicContact CB-CD2 3.97Å; V912-L924 HydrophobicContact CG1-CB 4.15Å; V912-L924 HydrophobicContact CG1-CD2 3.7Å
913L83.1Confident87.1Confident6 Ų631.8 Ų31.83%0.03117%0.166CC..Hα-helixtrans-81.7-39.6-179.2-62.6175.1000112.8F874 W876 F889 L910 S911 K921 L924F874-L913 HydrophobicContact CD1-CD1 3.35Å; F874-L913 HydrophobicContact CE1-CD1 3.56Å; W876-L913 HydrophobicContact CD2-CD2 4.09Å; W876-L913 HydrophobicContact CE3-CD2 3.82Å; W876-L913 HydrophobicContact CH2-CD2 3.23Å; W876-L913 HydrophobicContact CZ2-CD2 3.52Å; W876-L913 HydrophobicContact CZ3-CD2 3.4Å; W876-L913 VanDerWaalsContact CZ3-CD2 3.4Å; F889-L913 HydrophobicContact CZ-CD1 4.45Å; L910-L913 PolarHBondContact O-N 3.23Å; L910-L913 VanDerWaalsContact O-N 3.1Å; S911-L913 VanDerWaalsContact C-N 3.29Å; S911-L913 PolarHBondContact O-N 3.17Å; L913-K921 WeakPolarHBondContact O-CE 3.42Å; L913-K921 PolarHBondContact O-NZ 3.13Å; L913-L924 HydrophobicContact CD1-CD2 4.5Å; L913-L924 HydrophobicContact CD2-CD2 3.68Å; L913-L924 HydrophobicContact CG-CD2 3.89Å
914C84.5Confident87.1Confident11 Ų1132.7 Ų32.77%0.07417%0.17CC..Hα-helixtrans-76.7-39.4178.9-65.70000112.9F817 L910 V1245 V1247F817-C914 HydrophobicContact CE1-CB 4.05Å; F817-C914 HydrophobicContact CZ-CB 4.06Å; L910-C914 PolarHBondContact O-N 3.19Å; C914-V1245 HydrophobicContact CB-CB 4.46Å; C914-V1247 HydrophobicContact CB-CG2 3.9Å
915H83.9Confident87.1Confident81 Ų8129.6 Ų29.638%0.37516%0.159SC..Hα-helixtrans-129.2-11-167.6-55.8-71.7000115.6A816 F817 S911A816-H915 HydrophobicContact CB-CB 3.61Å; F817-H915 AromaticContact CD1-CD2 3.93Å; F817-H915 AromaticContact CD1-NE2 3.26Å; F817-H915 VanDerWaalsContact CD1-NE2 3.26Å; F817-H915 WeakPolarHBondContact CD1-NE2 3.23Å; F817-H915 AromaticContact CE1-CD2 3.68Å; F817-H915 AromaticContact CE1-NE2 3.21Å; F817-H915 WeakPolarHBondContact CE1-NE2 3.34Å; F817-H915 AromaticContact CZ-CD2 3.92Å; F817-H915 AromaticContact CZ-NE2 3.95Å; S911-H915 WeakPolarHBondContact O-CA 3.32Å; S911-H915 WeakPolarHBondContact O-CB 3.38Å; S911-H915 PolarHBondContact O-N 3.42Å
916G83.4Confident87.1Confident12 Ų1227.9 Ų27.912%0.12415%0.149CC..  trans-67.9158.7177.100000112.8S911 V912 E920 K921S911-G916 PolarHBondContact O-N 3.12Å; V912-G916 VanDerWaalsContact O-CA 3.27Å; V912-G916 WeakPolarHBondContact O-CA 3.24Å; V912-G916 PolarHBondContact O-N 3.39Å; V912-G916 VanDerWaalsContact O-N 3.09Å; G916-E920 VanDerWaalsContact CA-OE2 3.28Å; G916-E920 WeakPolarHBondContact CA-OE2 3.47Å; G916-K921 WeakPolarHBondContact O-CE 3.43Å
917D85Confident87Confident88 Ų8830.4 Ų30.447%0.47116%0.161SC..  trans-75.4171.617882.829.3000113.1T919 E920 K921D917-T919 PolarHBondContact O-N 3.4Å; D917-T919 VanDerWaalsContact OD1-CA 3.24Å; D917-T919 WeakPolarHBondContact OD1-CA 3.38Å; D917-T919 WeakPolarHBondContact OD1-CB 3.09Å; D917-T919 PolarHBondContact OD1-N 2.84Å; D917-E920 PolarHBondContact N-OE2 3.39Å; D917-E920 PolarHBondContact O-N 3.38Å; D917-E920 VanDerWaalsContact O-N 3.11Å; D917-E920 PolarHBondContact OD1-N 2.97Å; D917-K921 WeakPolarHBondContact O-CG 3.12Å; D917-K921 PolarHBondContact O-N 2.82Å
918L86.9Confident86.8Confident18 Ų1830.5 Ų30.59%0.09416%0.161CC..Hα-helixtrans-52.4-40177.9174.562.2000112.9L922 L1232 V1238 F1241 E1242L918-L922 HydrophobicContact CD1-CD1 3.77Å; L918-L922 HydrophobicContact CD1-CG 4.25Å; L918-L922 HydrophobicContact CG-CD1 4.07Å; L918-L922 WeakPolarHBondContact O-CB 3.08Å; L918-L922 VanDerWaalsContact O-CG 3.22Å; L918-L922 WeakPolarHBondContact O-CG 3.18Å; L918-L922 PolarHBondContact O-N 2.8Å; L918-L1232 HydrophobicContact CD2-CD2 3.66Å; L918-V1238 HydrophobicContact CD2-CG1 4.03Å; L918-V1238 HydrophobicContact CD2-CG2 4.3Å; L918-F1241 HydrophobicContact CD1-CB 3.39Å; L918-F1241 HydrophobicContact CD1-CG 4.31Å; L918-E1242 HydrophobicContact CB-CG 4.21Å; L918-E1242 HydrophobicContact CD2-CG 4.32Å
919T87.1Confident86.7Confident55 Ų5527.6 Ų27.634%0.33715%0.145SC..Hα-helixtrans-71.4-40.4178.7-52.40000110.9D917 K923 F1224 L1228D917-T919 PolarHBondContact O-N 3.4Å; D917-T919 VanDerWaalsContact OD1-CA 3.24Å; D917-T919 WeakPolarHBondContact OD1-CA 3.38Å; D917-T919 WeakPolarHBondContact OD1-CB 3.09Å; D917-T919 PolarHBondContact OD1-N 2.84Å; T919-K923 WeakPolarHBondContact O-CB 3.31Å; T919-K923 PolarHBondContact O-N 3.5Å; T919-F1224 HydrophobicContact CG2-CE1 4.11Å; T919-F1224 HydrophobicContact CG2-CZ 4.08Å; T919-L1228 HydrophobicContact CG2-CD1 4.37Å; T919-L1228 HydrophobicContact CG2-CD2 3.78Å
920E86.8Confident86.5Confident101 Ų10128.6 Ų28.647%0.47215%0.151SC..Hα-helixtrans-66.5-44.2177.9-65.2-178.7134.900111.9V912 G916 D917 K923 L924V912-E920 HydrophobicContact CG1-CB 4.2Å; G916-E920 VanDerWaalsContact CA-OE2 3.28Å; G916-E920 WeakPolarHBondContact CA-OE2 3.47Å; D917-E920 PolarHBondContact N-OE2 3.39Å; D917-E920 PolarHBondContact O-N 3.38Å; D917-E920 VanDerWaalsContact O-N 3.11Å; D917-E920 PolarHBondContact OD1-N 2.97Å; E920-K923 PolarHBondContact O-N 3.32Å; E920-L924 WeakPolarHBondContact O-CB 3.35Å; E920-L924 PolarHBondContact O-N 2.9Å
921K88.9Confident85.7Confident14 Ų1430.6 Ų30.66%0.06116%0.161CC..Hα-helixtrans-60.2-48.4173.8-68.4-177.6-167-173.50111.7W876 L913 G916 D917 K923 L924 L925 F1241W876-K921 HydrophobicContact CH2-CB 4.37Å; W876-K921 HydrophobicContact CZ2-CB 4.21Å; L913-K921 WeakPolarHBondContact O-CE 3.42Å; L913-K921 PolarHBondContact O-NZ 3.13Å; G916-K921 WeakPolarHBondContact O-CE 3.43Å; D917-K921 WeakPolarHBondContact O-CG 3.12Å; D917-K921 PolarHBondContact O-N 2.82Å; K921-K923 PolarHBondContact O-N 2.65Å; K921-L924 PolarHBondContact O-N 3.3Å; K921-L925 PolarHBondContact O-N 3.21Å; K921-F1241 VanDerWaalsContact CD-O 3.28Å; K921-F1241 WeakPolarHBondContact CD-O 3.24Å; K921-F1241 WeakPolarHBondContact CE-O 3.37Å; K921-F1241 PolarHBondContact NZ-O 3.04Å
922L89.3Confident84.2Confident0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-66.6-35.5177.5-69.7171.6000112.3L918 L924 Y926 F1224 F1227 L1228 V1231 F1241L918-L922 HydrophobicContact CD1-CD1 3.77Å; L918-L922 HydrophobicContact CD1-CG 4.25Å; L918-L922 HydrophobicContact CG-CD1 4.07Å; L918-L922 WeakPolarHBondContact O-CB 3.08Å; L918-L922 VanDerWaalsContact O-CG 3.22Å; L918-L922 WeakPolarHBondContact O-CG 3.18Å; L918-L922 PolarHBondContact O-N 2.8Å; L922-L924 VanDerWaalsContact C-N 3.34Å; L922-Y926 WeakPolarHBondContact O-CB 3.49Å; L922-Y926 PolarHBondContact O-N 3.37Å; L922-F1224 HydrophobicContact CB-CE2 4.2Å; L922-F1227 HydrophobicContact CB-CE1 4.22Å; L922-F1227 HydrophobicContact CD2-CE1 3.92Å; L922-F1227 HydrophobicContact CD2-CZ 4.09Å; L922-L1228 HydrophobicContact CB-CD1 4.45Å; L922-L1228 HydrophobicContact CD1-CD1 3.68Å; L922-V1231 HydrophobicContact CD1-CB 4.13Å; L922-V1231 HydrophobicContact CD1-CG1 3.7Å; L922-V1231 HydrophobicContact CD2-CG1 4.13Å; L922-F1241 HydrophobicContact CD2-CD2 3.9Å; L922-F1241 HydrophobicContact CD2-CE1 4.43Å; L922-F1241 HydrophobicContact CD2-CE2 3.8Å; L922-F1241 HydrophobicContact CD2-CG 4.29Å; L922-F1241 HydrophobicContact CD2-CZ 4.08Å
923K88.6Confident82.5Confident45 Ų4536.5 Ų36.520%0.19619%0.193CC..Hα-helixtrans-64.2-39.1174.3-173-178.7176.6-167.30111.1T919 E920 K921 K927 E1009 L1014 F1224T919-K923 WeakPolarHBondContact O-CB 3.31Å; T919-K923 PolarHBondContact O-N 3.5Å; E920-K923 PolarHBondContact O-N 3.32Å; K921-K923 PolarHBondContact O-N 2.65Å; K923-K927 PolarHBondContact O-N 2.83Å; K923-E1009 WeakPolarHBondContact CE-OE2 3.43Å; K923-E1009 IonicContact NZ-OE2 2.67Å; K923-E1009 PolarHBondContact NZ-OE2 2.93Å; K923-L1014 HydrophobicContact CG-CD1 4.15Å; K923-F1224 VanDerWaalsContact CA-CE2 3.46Å; K923-F1224 HydrophobicContact CB-CE1 4.08Å; K923-F1224 HydrophobicContact CB-CE2 4Å; K923-F1224 HydrophobicContact CB-CZ 3.61Å; K923-F1224 HydrophobicContact CG-CE1 4.32Å; K923-F1224 HydrophobicContact CG-CZ 4.29Å
924L88.2Confident80.7Confident21 Ų2141.3 Ų41.311%0.1122%0.217CC..Hα-helixtrans-66.7-51176.5179.754.8000111.5F889 L892 V912 L913 E920 K921 L922 Y926 K927 M928F889-L924 HydrophobicContact CD2-CD1 4.3Å; F889-L924 HydrophobicContact CE2-CD1 3.94Å; F889-L924 HydrophobicContact CE2-CD2 4.02Å; F889-L924 HydrophobicContact CE2-CG 4.39Å; L892-L924 HydrophobicContact CD2-CD1 3.53Å; V912-L924 HydrophobicContact CB-CD2 3.97Å; V912-L924 HydrophobicContact CG1-CB 4.15Å; V912-L924 HydrophobicContact CG1-CD2 3.7Å; L913-L924 HydrophobicContact CD1-CD2 4.5Å; L913-L924 HydrophobicContact CD2-CD2 3.68Å; L913-L924 HydrophobicContact CG-CD2 3.89Å; E920-L924 WeakPolarHBondContact O-CB 3.35Å; E920-L924 PolarHBondContact O-N 2.9Å; K921-L924 PolarHBondContact O-N 3.3Å; L922-L924 VanDerWaalsContact C-N 3.34Å; L924-Y926 VanDerWaalsContact C-N 3.27Å; L924-Y926 PolarHBondContact O-N 3.03Å; L924-K927 PolarHBondContact O-N 3.45Å; L924-K927 VanDerWaalsContact O-N 3.15Å; L924-M928 HydrophobicContact CD1-CG 4.43Å; L924-M928 HydrophobicContact CD1-SD 4.2Å; L924-M928 HydrophobicContact CG-SD 4.08Å; L924-M928 WeakPolarHBondContact O-CG 3.43Å; L924-M928 PolarHBondContact O-N 2.92Å
925L88.1Confident78.1Confident0 Ų046.7 Ų46.70%025%0.25CC..Hα-helixtrans-57.2-41.3176.5-174.865.6000111.7W876 L885 K921 M928 H929 L1025 T1028 L1029 M1032 F1241W876-L925 HydrophobicContact CE3-CD1 4.17Å; W876-L925 HydrophobicContact CH2-CB 3.96Å; W876-L925 HydrophobicContact CZ3-CB 3.9Å; W876-L925 HydrophobicContact CZ3-CD1 3.86Å; W876-L925 HydrophobicContact CZ3-CG 4.4Å; L885-L925 HydrophobicContact CD1-CD1 4.49Å; K921-L925 PolarHBondContact O-N 3.21Å; L925-M928 PolarHBondContact O-N 3.21Å; L925-H929 PolarHBondContact O-ND1 3.46Å; L925-L1025 HydrophobicContact CD1-CD1 4.38Å; L925-L1025 HydrophobicContact CD2-CD1 4Å; L925-L1025 HydrophobicContact CG-CD1 3.79Å; L925-T1028 HydrophobicContact CD1-CG2 4.12Å; L925-L1029 HydrophobicContact CD2-CD2 3.84Å; L925-M1032 HydrophobicContact CD1-SD 4.09Å; L925-F1241 HydrophobicContact CD2-CE1 4.28Å; L925-F1241 HydrophobicContact CD2-CZ 3.96Å
926Y88.5Confident75.7Confident1 Ų150.6 Ų50.60%0.00427%0.268CS..Hα-helixtrans-62.8-49.6174.3-178.9-83.6000112.1L922 L924 M928 H929 V930 L1014 P1015 K1016 L1017 I1222 F1224 F1227L922-Y926 WeakPolarHBondContact O-CB 3.49Å; L922-Y926 PolarHBondContact O-N 3.37Å; L924-Y926 VanDerWaalsContact C-N 3.27Å; L924-Y926 PolarHBondContact O-N 3.03Å; Y926-M928 VanDerWaalsContact C-N 3.26Å; Y926-M928 PolarHBondContact O-N 3.06Å; Y926-H929 PolarHBondContact O-N 2.74Å; Y926-H929 VanDerWaalsContact O-N 3.08Å; Y926-V930 HydrophobicContact CD1-CG2 3.8Å; Y926-V930 HydrophobicContact CE1-CG2 3.42Å; Y926-V930 VanDerWaalsContact CE1-CG2 3.42Å; Y926-V930 WeakPolarHBondContact O-CG2 3.35Å; Y926-V930 PolarHBondContact O-N 3.08Å; Y926-V930 VanDerWaalsContact O-N 3.1Å; Y926-L1014 HydrophobicContact CD1-CD1 4.43Å; Y926-L1014 HydrophobicContact CE1-CB 4.22Å; Y926-L1014 HydrophobicContact CE1-CD1 4.42Å; Y926-P1015 WeakPolarHBondContact CE1-O 3.48Å; Y926-P1015 PolarHBondContact OH-O 3.05Å; Y926-K1016 WeakPolarHBondContact OH-CA 3.38Å; Y926-L1017 HydrophobicContact CD2-CD1 3.56Å; Y926-L1017 HydrophobicContact CD2-CG 4.07Å; Y926-L1017 HydrophobicContact CE2-CD1 3.44Å; Y926-L1017 VanDerWaalsContact CE2-CD1 3.44Å; Y926-L1017 HydrophobicContact CE2-CG 3.61Å; Y926-L1017 HydrophobicContact CG-CD1 4.49Å; Y926-L1017 PolarHBondContact OH-N 2.93Å; Y926-I1222 PolarHBondContact OH-O 2.98Å; Y926-F1224 HydrophobicContact CD1-CB 4.11Å; Y926-F1224 HydrophobicContact CD1-CD2 4.13Å; Y926-F1224 HydrophobicContact CD1-CG 4.45Å; Y926-F1224 HydrophobicContact CD2-CB 4.24Å; Y926-F1224 AromaticContact CD2-CD2 3.88Å; Y926-F1224 HydrophobicContact CD2-CD2 3.88Å; Y926-F1224 HydrophobicContact CE1-CB 3.89Å; Y926-F1224 HydrophobicContact CE2-CB 4.01Å; Y926-F1224 HydrophobicContact CE2-CD2 4.47Å; Y926-F1224 HydrophobicContact CG-CB 4.29Å; Y926-F1224 AromaticContact CG-CD2 3.69Å; Y926-F1224 HydrophobicContact CG-CD2 3.69Å; Y926-F1224 HydrophobicContact CG-CG 4.4Å; Y926-F1224 PolarHBondContact OH-N 3.27Å; Y926-F1227 HydrophobicContact CD2-CB 4.32Å; Y926-F1227 HydrophobicContact CD2-CD1 4.02Å; Y926-F1227 HydrophobicContact CD2-CG 4.33Å; Y926-F1227 HydrophobicContact CE2-CB 4.49Å
927K87.2Confident73Confident54 Ų5459 Ų5924%0.23530%0.304CS..Hα-helixtrans-55.7-39.6177.3-83.6-162.2174.7-1650112.1L892 K923 L924 H929 V930 E1009 L1014L892-K927 HydrophobicContact CD1-CB 4.15Å; L892-K927 HydrophobicContact CD1-CD 4.24Å; L892-K927 HydrophobicContact CD2-CB 3.67Å; K923-K927 PolarHBondContact O-N 2.83Å; L924-K927 PolarHBondContact O-N 3.45Å; L924-K927 VanDerWaalsContact O-N 3.15Å; K927-H929 VanDerWaalsContact C-N 3.26Å; K927-H929 PolarHBondContact O-N 3.4Å; K927-V930 PolarHBondContact O-N 2.64Å; K927-E1009 WeakPolarHBondContact CE-OE2 3.24Å; K927-E1009 IonicContact NZ-OE1 2.69Å; K927-E1009 PolarHBondContact NZ-OE1 3.22Å; K927-E1009 IonicContact NZ-OE2 2.84Å; K927-E1009 PolarHBondContact NZ-OE2 3.25Å; K927-L1014 HydrophobicContact CD-CD2 4.45Å; K927-L1014 HydrophobicContact CG-CD2 4.11Å
928M86.2Confident70.4Confident1 Ų163.4 Ų63.41%0.00532%0.322CS..Hα-helixtrans-64.2-26.1179.2-69.6164.94600114L885 R888 F889 L892 L924 L925 Y926L885-M928 HydrophobicContact CD1-CE 3.29Å; L885-M928 HydrophobicContact CG-CE 3.64Å; R888-M928 HydrophobicContact CB-CB 4.43Å; F889-M928 HydrophobicContact CB-CE 3.77Å; F889-M928 HydrophobicContact CB-CG 4.42Å; F889-M928 HydrophobicContact CB-SD 3.99Å; F889-M928 HydrophobicContact CD2-CE 4.44Å; F889-M928 HydrophobicContact CD2-CG 4.17Å; F889-M928 HydrophobicContact CD2-SD 3.57Å; F889-M928 VanDerWaalsContact CD2-SD 3.57Å; F889-M928 HydrophobicContact CE2-SD 4.42Å; F889-M928 HydrophobicContact CG-CE 4.3Å; F889-M928 HydrophobicContact CG-SD 4.02Å; L892-M928 HydrophobicContact CD2-CG 3.55Å; L924-M928 HydrophobicContact CD1-CG 4.43Å; L924-M928 HydrophobicContact CD1-SD 4.2Å; L924-M928 HydrophobicContact CG-SD 4.08Å; L924-M928 WeakPolarHBondContact O-CG 3.43Å; L924-M928 PolarHBondContact O-N 2.92Å; L925-M928 PolarHBondContact O-N 3.21Å; Y926-M928 VanDerWaalsContact C-N 3.26Å; Y926-M928 PolarHBondContact O-N 3.06Å
929H86.7Confident67.5Low0 Ų071.7 Ų71.70%036%0.36CS..Hα-helixtrans-97-15.1178.1-65.179.7000113.2L925 Y926 K927 L931 L1017 Q1021 L1025 T1028L925-H929 PolarHBondContact O-ND1 3.46Å; Y926-H929 PolarHBondContact O-N 2.74Å; Y926-H929 VanDerWaalsContact O-N 3.08Å; K927-H929 VanDerWaalsContact C-N 3.26Å; K927-H929 PolarHBondContact O-N 3.4Å; H929-L931 VanDerWaalsContact C-N 3.35Å; H929-L1017 HydrophobicContact CB-CD2 3.83Å; H929-Q1021 WeakPolarHBondContact O-CB 3.15Å; H929-Q1021 VanDerWaalsContact O-CD 3.25Å; H929-Q1021 VanDerWaalsContact O-CG 3.26Å; H929-Q1021 WeakPolarHBondContact O-CG 3.33Å; H929-Q1021 PolarHBondContact O-NE2 3.32Å; H929-Q1021 VanDerWaalsContact O-NE2 3.17Å; H929-L1025 HydrophobicContact CB-CB 4.21Å; H929-L1025 VanDerWaalsContact CD2-CA 3.49Å; H929-L1025 WeakPolarHBondContact CD2-CA 3.4Å; H929-T1028 WeakPolarHBondContact NE2-CB 3.36Å; H929-T1028 PolarHBondContact NE2-OG1 3.48Å
930V81.6Confident64.6Low25 Ų2577.2 Ų77.215%0.15238%0.382CS..Hα-helixtrans-73.2-24.9171.9162.50000112.8Y926 K927 P1015 L1017 Q1021Y926-V930 HydrophobicContact CD1-CG2 3.8Å; Y926-V930 HydrophobicContact CE1-CG2 3.42Å; Y926-V930 VanDerWaalsContact CE1-CG2 3.42Å; Y926-V930 WeakPolarHBondContact O-CG2 3.35Å; Y926-V930 PolarHBondContact O-N 3.08Å; Y926-V930 VanDerWaalsContact O-N 3.1Å; K927-V930 PolarHBondContact O-N 2.64Å; V930-P1015 HydrophobicContact CG1-CB 3.64Å; V930-P1015 HydrophobicContact CG1-CG 3.72Å; V930-L1017 HydrophobicContact CB-CD2 4.47Å; V930-L1017 HydrophobicContact CG2-CD2 3.64Å; V930-L1017 HydrophobicContact CG2-CG 4.05Å; V930-Q1021 VanDerWaalsContact C-NE2 3.3Å; V930-Q1021 PolarHBondContact O-NE2 2.94Å
931L70.4Confident61.9Low46 Ų4678.4 Ų78.424%0.24140%0.398CS..SBendtrans-58.6137.9174.7-67.8175.4000110.7R888 R891 L892 H929 Q1021R888-L931 WeakPolarHBondContact O-CD1 3.44Å; R891-L931 HydrophobicContact CB-CD1 4.09Å; L892-L931 HydrophobicContact CB-CD1 4.16Å; H929-L931 VanDerWaalsContact C-N 3.35Å; L931-Q1021 PolarHBondContact O-NE2 3.04Å
932P56.8Low59.1Low102 Ų10283.3 Ų83.366%0.66243%0.425SS*.PPolyproline II helixtrans-66.2138.2175.728.1-33.7000110.2
933E51.7Low56.9Low86 Ų8689.2 Ų89.240%0.40247%0.466SS..PPolyproline II helixtrans-68.2141.8172.9-69175.2156.800109.6R888 T935R888-E933 IonicContact CZ-OE1 2.7Å; R888-E933 VanDerWaalsContact CZ-OE1 3.31Å; R888-E933 IonicContact NH1-OE1 2.71Å; R888-E933 PolarHBondContact NH1-OE1 3.37Å; R888-E933 IonicContact NH2-OE1 2.81Å; R888-E933 PolarHBondContact NH2-OE1 3.46Å; E933-T935 PolarHBondContact O-N 3.42Å
934I44.8Very low54.2Low107 Ų10790.4 Ų90.455%0.54949%0.485SS..  trans-75.8111.9161.7-67.4-178000104.9H936I934-H936 PolarHBondContact O-N 3.35Å
935T30.3Very low51.6Low124 Ų12496.4 Ų96.476%0.76151%0.51SS*.  trans-61.192.4158.944.10000107.9E933 E937E933-T935 PolarHBondContact O-N 3.42Å; T935-E937 PolarHBondContact O-N 2.79Å
936H34Very low49.1Very low163 Ų163103.9 Ų103.976%0.75555%0.545SS*.  trans-56.1125.8136.1-82.6-92.2000105.9I934 Q938I934-H936 PolarHBondContact O-N 3.35Å; H936-Q938 PolarHBondContact O-N 2.87Å
937E26.5Very low46.4Very low187 Ų187107.5 Ų107.587%0.87458%0.576SS**  trans-62.5105.6165.5-67177.2146.200105.8T935 E939T935-E937 PolarHBondContact O-N 2.79Å; E937-E939 PolarHBondContact O-N 3.45Å
938Q28.9Very low43.7Very low182 Ų182110.3 Ų110.385%0.8560%0.597SS**  trans-66.8112.4164.2-69.2-175.9-87.100105.6H936 E940H936-Q938 PolarHBondContact O-N 2.87Å; Q938-E940 PolarHBondContact O-N 3.27Å
939E26.5Very low41.2Very low191 Ų191118.1 Ų118.189%0.89363%0.634SS**  trans-57.6108.3163.7-67178.8129.800106.8E937E937-E939 PolarHBondContact O-N 3.45Å
940E26.6Very low38.5Very low172 Ų172127.5 Ų127.580%0.80467%0.671SS**  trans-58.7138.6167.7-69.5-169135.300107.7Q938 D942Q938-E940 PolarHBondContact O-N 3.27Å; E940-D942 VanDerWaalsContact C-N 3.26Å; E940-D942 PolarHBondContact O-N 3Å
941P31.1Very low36.1Very low125 Ų125134.5 Ų134.581%0.81270%0.699SS**  trans-71.185.7179.729-34.2000109.5S943P941-S943 PolarHBondContact O-N 2.94Å
942D28.6Very low34.3Very low118 Ų118142.2 Ų142.263%0.63173%0.731SS**  trans-7567.5-171.5-160.21.3000111.8E940 A944 F945E940-D942 VanDerWaalsContact C-N 3.26Å; E940-D942 PolarHBondContact O-N 3Å; D942-A944 PolarHBondContact O-N 3.37Å; D942-F945 PolarHBondContact O-N 3.17Å
943S44.7Very low32.9Very low123 Ų123146.8 Ų146.886%0.8674%0.744SS**THydrogen-bonded Turntrans-64.619.1-174.6-176.80000114.3P941P941-S943 PolarHBondContact O-N 2.94Å
944A31.7Very low31.8Very low71 Ų71150.1 Ų150.159%0.58777%0.765SS**THydrogen-bonded Turntrans-115.7-16.7-179.100000114D942D942-A944 PolarHBondContact O-N 3.37Å
945F33.1Very low31.1Very low146 Ų146152.8 Ų152.864%0.6478%0.778SS**SBendtrans-95-35.5-172.1-144.2-96.7000115.1D942 A947 T948D942-F945 PolarHBondContact O-N 3.17Å; F945-A947 PolarHBondContact O-N 3.16Å; F945-T948 PolarHBondContact O-N 3.48Å; F945-T948 PolarHBondContact O-OG1 3.46Å
946E34.6Very low30.8Very low157 Ų157153 Ų15373%0.73478%0.779SS**G310 helixtrans-61.7-28.7179.2-76.5-162.8125.400113.6T948 Q949E946-T948 PolarHBondContact O-N 2.94Å; E946-Q949 PolarHBondContact O-N 3.02Å; E946-Q949 VanDerWaalsContact O-N 3.11Å
947A31.8Very low30.7Very low78 Ų78150.7 Ų150.765%0.64578%0.779SS**G310 helixtrans-59-19.6-179.200000113.6F945F945-A947 PolarHBondContact O-N 3.16Å
948T31.7Very low30.9Very low112 Ų112150.8 Ų150.869%0.68778%0.779SS**G310 helixtrans-92.2-7.8-179.711.80000115.4F945 E946F945-T948 PolarHBondContact O-N 3.48Å; F945-T948 PolarHBondContact O-OG1 3.46Å; E946-T948 PolarHBondContact O-N 2.94Å
949Q33.9Very low30.6Very low165 Ų165148.9 Ų148.977%0.77178%0.78SS**THydrogen-bonded Turntrans-104.2-2.2177.7-111.6173.7-48.400114.4E946 F951E946-Q949 PolarHBondContact O-N 3.02Å; E946-Q949 VanDerWaalsContact O-N 3.11Å; Q949-F951 PolarHBondContact O-N 3.41Å
950Y29.2Very low30.8Very low198 Ų198144.7 Ų144.778%0.77677%0.772SS**SBendtrans-78.810.6179.2-103.9-84000115.9
951F31.7Very low30.8Very low172 Ų172144.5 Ų144.575%0.75478%0.775SS**SBendtrans-126.8127.2170.8-73.9-84.9000110.2Q949Q949-F951 PolarHBondContact O-N 3.41Å
952F31.6Very low30.7Very low207 Ų207143.7 Ų143.791%0.90877%0.772SS**SBendtrans81.762.1-177.2-53-70.7000118
953E27.9Very low30.5Very low198 Ų198148.8 Ų148.893%0.92578%0.782SS**  trans-144.778.9139.8-143.9163-124.900112.2
954D29.9Very low29.7Very low157 Ų157149.1 Ų149.184%0.8478%0.775SS**  trans-132.885.8172.3-167.911.2000109
955I28.7Very low29.3Very low163 Ų163151.1 Ų151.184%0.83678%0.784SS**  trans-173.5129.5158.9-96.8149.7000108.5
956T24.1Very low28.9Very low128 Ų128154.4 Ų154.479%0.78580%0.798SS**  trans-95.9178.7177.553.90000110.4
957P33.1Very low28.5Very low115 Ų115150.7 Ų150.775%0.74780%0.802SS**  cis-136.3-170.96.942.7-23.6000115.8
958E29.1Very low28.2Very low188 Ų188159.2 Ų159.288%0.87982%0.817SS**  trans-51.4152.6172.9-53.9-180144.100114.6
959T23.4Very low27.8Very low143 Ų143157.4 Ų157.488%0.87782%0.821SS**  trans-149.7133.6145.5-4.60000111.3
960S31.5Very low27.4Very low102 Ų102159.2 Ų159.271%0.71383%0.83SS**  trans-77150.8172.8600000112
961I25.6Very low27.5Very low169 Ų169158.7 Ų158.787%0.86783%0.831SS**  trans-178146.3133.7-97.3151.9000110.2
962S28.3Very low27.2Very low108 Ų108157.9 Ų157.976%0.75584%0.835SS**  trans-104.9133.7169.8490000111
963R25.2Very low26.9Very low224 Ų224155.4 Ų155.485%0.84583%0.831SS**  trans174.9144.4144.4-104.8-174.9154.71333.5117.1
964D27.6Very low26.7Very low131 Ų131149.1 Ų149.170%0.70182%0.819SS**  trans28.7114.9134.5-47.1-25000121.8
965S24Very low26.4Very low112 Ų112151.5 Ų151.578%0.78382%0.823SS**  trans-155.7119135.751.40000109.9
966K23.9Very low26.3Very low216 Ų216149.9 Ų149.994%0.93982%0.82SS**  57.9115.178.6-87.4-175.2174.1174.60114
967G25.8Very low26.2Very low78 Ų78153.6 Ų153.680%0.80482%0.82SS**  trans-121.3-178.9177.900000115
968R26.1Very low25.8Very low257 Ų257153.6 Ų153.697%0.9782%0.817SS**  trans-171.3146.5167.3-95.5172.9177.4-168.9-2.9105.5
969G24.3Very low25.4Very low75 Ų75149.3 Ų149.377%0.77380%0.804SS**  cis134.2115.2-4.400000111
970E25Very low25.4Very low203 Ų203151.7 Ų151.795%0.94980%0.803SS**  trans-148.6166.2177.9-142152.5-135.900110.7
971K30.6Very low24.9Very low186 Ų186155.7 Ų155.781%0.80981%0.807SS**  trans-114.2155.5-175.4-66.1-177.3171.6-165.50111
972D25.4Very low25Very low156 Ų156154.4 Ų154.483%0.83481%0.807SS**  trans-147.5145.9146-1552.7000111.3
973D25.3Very low24.7Very low154 Ų154157.5 Ų157.582%0.82481%0.81SS**  trans-109.495.2-178.9-78.4-54.2000109.1
974G24.8Very low24.6Very low66 Ų66156.4 Ų156.468%0.6881%0.811SS**  trans-133.297.7-164.500000116.2V976G974-V976 PolarHBondContact O-N 3.45Å
975F23Very low24.4Very low208 Ų208156.9 Ų156.991%0.91282%0.819SS**  trans-63.6112.2176.7-139-95.5000112.4
976V25.5Very low24.5Very low128 Ų128160.7 Ų160.778%0.77682%0.821SS**  trans-116.2102.8167.9-177.50000111.1G974 V978G974-V976 PolarHBondContact O-N 3.45Å; V976-V978 PolarHBondContact O-N 3.29Å
977R23.3Very low24.5Very low206 Ų206160.3 Ų160.378%0.77782%0.819SS**  trans-77.693-179.6179-171.8177.8171.10.2111T979R977-T979 HydrophobicContact CG-CG2 4.23Å; R977-T979 PolarHBondContact O-N 3.07Å
978V24.2Very low24.5Very low115 Ų115164.9 Ų164.970%0.69783%0.825SS**  trans-74.790.8171.3-176.20000110V976 F980V976-V978 PolarHBondContact O-N 3.29Å; V978-F980 PolarHBondContact O-N 3.41Å
979T20.7Very low24.5Very low98 Ų98157.4 Ų157.460%0.60181%0.811SS**  trans-71.4109.3168.742.30000110.4R977 K981R977-T979 HydrophobicContact CG-CG2 4.23Å; R977-T979 PolarHBondContact O-N 3.07Å; T979-K981 PolarHBondContact O-N 2.98Å; T979-K981 VanDerWaalsContact O-N 3.14Å
980F23.6Very low24.8Very low193 Ų193158 Ų15885%0.84680%0.8SS**  trans-57.1115.1166.7-75.6-88.1000110.5V978V978-F980 PolarHBondContact O-N 3.41Å
981K21.6Very low25.1Very low187 Ų187150.6 Ų150.681%0.81377%0.77SS**  trans-78.8125.9156.9-79.9-177.4176.4176.20107.8T979 E983T979-K981 PolarHBondContact O-N 2.98Å; T979-K981 VanDerWaalsContact O-N 3.14Å; K981-E983 VanDerWaalsContact C-N 3.27Å; K981-E983 PolarHBondContact O-N 2.72Å
982T27.3Very low25.1Very low141 Ų141146.4 Ų146.487%0.86576%0.757SS**  trans-7379.8171.439.20000110.7
983E21.7Very low25.6Very low173 Ų173147.3 Ų147.381%0.80875%0.749SS**  trans-71.7137.2158.5-65-154140.800109.5K981 V985K981-E983 VanDerWaalsContact C-N 3.27Å; K981-E983 PolarHBondContact O-N 2.72Å; E983-V985 PolarHBondContact O-N 3.36Å
984K23.9Very low26.1Very low201 Ų201148.9 Ų148.987%0.87474%0.744SS**  trans-75.8100.9-178.4-68.8-179.8178.71800108.8K986K984-K986 PolarHBondContact O-N 3.38Å
985V23.4Very low26.6Very low141 Ų141150.3 Ų150.386%0.85573%0.732SS**  trans-49.4112.1166.8177.80000108.2E983 K987E983-V985 PolarHBondContact O-N 3.36Å; V985-K987 PolarHBondContact O-N 3.18Å
986K25.2Very low27.5Very low193 Ų193146.9 Ų146.984%0.83971%0.714SS**  trans-63132.7167.4-76.5-179.5176.2176.90106.9K984 L988K984-K986 PolarHBondContact O-N 3.38Å; K986-L988 PolarHBondContact O-N 3.24Å
987K24Very low28Very low207 Ų207144.4 Ų144.490%0.970%0.697SS**  trans-53.5109167.6-74.4-173.3172.1-168.50108.4V985 S989V985-K987 PolarHBondContact O-N 3.18Å; K987-S989 VanDerWaalsContact C-N 3.35Å; K987-S989 PolarHBondContact O-N 3.29Å
988L26.5Very low28.6Very low175 Ų175141 Ų14192%0.91669%0.687SS**  trans-79.994.2161.7-164.173.3000105.6K986 T990K986-L988 PolarHBondContact O-N 3.24Å; L988-T990 PolarHBondContact O-N 3.33Å
989S24.4Very low29.2Very low99 Ų99139 Ų13969%0.69267%0.672SS**PPolyproline II helixtrans-68.8122.4172.6-164.20000107.6K987K987-S989 VanDerWaalsContact C-N 3.35Å; K987-S989 PolarHBondContact O-N 3.29Å
990T30.8Very low30.2Very low87 Ų87137.8 Ų137.853%0.53466%0.657SS.*PPolyproline II helixtrans-55138.4152.234.50000108L988L988-T990 PolarHBondContact O-N 3.33Å
991P31.2Very low30.7Very low49 Ų49134.3 Ų134.332%0.31865%0.647SS.*PPolyproline II helixtrans-78.1135.4177.8-8.324.7000110.8H995 Y996P991-H995 HydrophobicContact CB-CB 3.82Å; P991-Y996 HydrophobicContact CB-CD2 4.05Å; P991-Y996 HydrophobicContact CB-CE2 3.67Å; P991-Y996 HydrophobicContact CG-CE2 3.72Å
992D31.1Very low31.2Very low98 Ų98132.2 Ų132.252%0.52464%0.64SS.*PPolyproline II helixtrans-49.7146.6168.3178.7-11.6000110.3R994 H995 Y996D992-R994 PolarHBondContact O-N 2.67Å; D992-R994 VanDerWaalsContact O-N 3.12Å; D992-R994 WeakPolarHBondContact OD1-CB 3.17Å; D992-R994 PolarHBondContact OD1-N 3.27Å; D992-H995 HydrophobicContact CB-CB 4.16Å; D992-H995 VanDerWaalsContact O-CA 3.29Å; D992-H995 WeakPolarHBondContact O-CA 3.36Å; D992-H995 WeakPolarHBondContact O-CB 3.21Å; D992-H995 PolarHBondContact O-N 2.63Å; D992-Y996 PolarHBondContact O-N 3.39Å
993Y36.8Very low31.5Very low174 Ų174131.5 Ų131.568%0.68263%0.627SS**Hα-helixtrans-55.3-29.3171.4-166.2-100.1000111.9Y996 L997Y993-Y996 PolarHBondContact O-N 2.96Å; Y993-L997 HydrophobicContact CD1-CD1 3.91Å; Y993-L997 HydrophobicContact CE1-CD1 3.88Å; Y993-L997 PolarHBondContact O-N 3.25Å
994R35.6Very low32.1Very low187 Ų187126.8 Ų126.871%0.70661%0.61SS**Hα-helixtrans-71.9-23.4169.2-66177.4164.2-177.9-3.5114.3D992 K998D992-R994 PolarHBondContact O-N 2.67Å; D992-R994 VanDerWaalsContact O-N 3.12Å; D992-R994 WeakPolarHBondContact OD1-CB 3.17Å; D992-R994 PolarHBondContact OD1-N 3.27Å; R994-K998 WeakPolarHBondContact O-CB 3.48Å; R994-K998 WeakPolarHBondContact O-CG 3.45Å; R994-K998 PolarHBondContact O-N 2.88Å; R994-K998 VanDerWaalsContact O-N 3.09Å
995H34.8Very low32.3Very low96 Ų96125.3 Ų125.344%0.44460%0.604SS.*Hα-helixtrans-76-38.4171.6-171.6-74.1000110.8P991 D992 K998 L999P991-H995 HydrophobicContact CB-CB 3.82Å; D992-H995 HydrophobicContact CB-CB 4.16Å; D992-H995 VanDerWaalsContact O-CA 3.29Å; D992-H995 WeakPolarHBondContact O-CA 3.36Å; D992-H995 WeakPolarHBondContact O-CB 3.21Å; D992-H995 PolarHBondContact O-N 2.63Å; H995-K998 PolarHBondContact O-N 3.45Å; H995-K998 VanDerWaalsContact O-N 3.13Å; H995-L999 WeakPolarHBondContact CE1-CD1 3.34Å; H995-L999 WeakPolarHBondContact ND1-CD1 3.41Å; H995-L999 PolarHBondContact O-N 2.98Å
996Y41.6Very low32.9Very low136 Ų136124.3 Ų124.353%0.53360%0.6SS.*Hα-helixtrans-61.7-49.6168.7-78.4-82000111.5P991 D992 Y993 K998 L999 W1000P991-Y996 HydrophobicContact CB-CD2 4.05Å; P991-Y996 HydrophobicContact CB-CE2 3.67Å; P991-Y996 HydrophobicContact CG-CE2 3.72Å; D992-Y996 PolarHBondContact O-N 3.39Å; Y993-Y996 PolarHBondContact O-N 2.96Å; Y996-K998 PolarHBondContact O-N 2.82Å; Y996-K998 VanDerWaalsContact O-N 3.07Å; Y996-L999 PolarHBondContact O-N 3.01Å; Y996-W1000 VanDerWaalsContact O-CB 3.32Å; Y996-W1000 WeakPolarHBondContact O-CB 3.38Å; Y996-W1000 PolarHBondContact O-N 3.14Å
997L37.2Very low33.4Very low77 Ų77124.6 Ų124.640%0.40360%0.601SS.*Hα-helixtrans-61.5-15.2172.7-78.3165.3000114.1Y993 W1000 N1001Y993-L997 HydrophobicContact CD1-CD1 3.91Å; Y993-L997 HydrophobicContact CE1-CD1 3.88Å; Y993-L997 PolarHBondContact O-N 3.25Å; L997-W1000 HydrophobicContact CD2-CE3 4.47Å; L997-N1001 PolarHBondContact O-ND2 3Å
998K34.5Very low34.1Very low134 Ų134126.3 Ų126.358%0.58360%0.602SS**Hα-helixtrans-88.7-47.1170.6-87-171.7170-164.10113.1R994 H995 Y996 W1000 N1001 E1002R994-K998 WeakPolarHBondContact O-CB 3.48Å; R994-K998 WeakPolarHBondContact O-CG 3.45Å; R994-K998 PolarHBondContact O-N 2.88Å; R994-K998 VanDerWaalsContact O-N 3.09Å; H995-K998 PolarHBondContact O-N 3.45Å; H995-K998 VanDerWaalsContact O-N 3.13Å; Y996-K998 PolarHBondContact O-N 2.82Å; Y996-K998 VanDerWaalsContact O-N 3.07Å; K998-W1000 PolarHBondContact O-N 3.09Å; K998-N1001 CarbonylContact O-C 3.58Å; K998-N1001 PolarHBondContact O-N 3.04Å; K998-E1002 WeakPolarHBondContact O-CB 3.46Å; K998-E1002 WeakPolarHBondContact O-CG 3.3Å; K998-E1002 PolarHBondContact O-N 3.1Å
999L37.7Very low35Very low72 Ų72122.3 Ų122.338%0.37758%0.579SS.*Hα-helixtrans-53-46.9171.9-10985.5000110.1H995 Y996 N1001 E1002 E1003H995-L999 WeakPolarHBondContact CE1-CD1 3.34Å; H995-L999 WeakPolarHBondContact ND1-CD1 3.41Å; H995-L999 PolarHBondContact O-N 2.98Å; Y996-L999 PolarHBondContact O-N 3.01Å; L999-N1001 VanDerWaalsContact C-N 3.27Å; L999-N1001 PolarHBondContact O-N 3.08Å; L999-E1002 CarbonylContact O-C 3.54Å; L999-E1002 WeakPolarHBondContact O-CA 3.34Å; L999-E1002 PolarHBondContact O-N 3.44Å; L999-E1003 WeakPolarHBondContact O-CB 3.2Å; L999-E1003 WeakPolarHBondContact O-CG 3.31Å; L999-E1003 PolarHBondContact O-N 3.06Å
1000W41.5Very low36.2Very low73 Ų73119.9 Ų119.928%0.27756%0.562SS.*Hα-helixtrans-62.3-31.8-179.7-150.2-7.2000113T810 L856 Y996 L997 K998 T1004T810-W1000 HydrophobicContact CG2-CH2 4.37Å; T810-W1000 HydrophobicContact CG2-CZ2 3.83Å; L856-W1000 HydrophobicContact CD1-CH2 3.74Å; L856-W1000 HydrophobicContact CD1-CZ2 3.5Å; L856-W1000 VanDerWaalsContact CD1-CZ2 3.5Å; Y996-W1000 VanDerWaalsContact O-CB 3.32Å; Y996-W1000 WeakPolarHBondContact O-CB 3.38Å; Y996-W1000 PolarHBondContact O-N 3.14Å; L997-W1000 HydrophobicContact CD2-CE3 4.47Å; K998-W1000 PolarHBondContact O-N 3.09Å; W1000-T1004 VanDerWaalsContact O-CG2 3.22Å; W1000-T1004 WeakPolarHBondContact O-CG2 3.48Å; W1000-T1004 PolarHBondContact O-OG1 3.29Å
1001N34.7Very low37.4Very low120 Ų120118.4 Ų118.464%0.64255%0.553SS**Hα-helixtrans-83.9-11.2172.7-85.5-67.4000114.2L997 K998 L999 T1004L997-N1001 PolarHBondContact O-ND2 3Å; K998-N1001 CarbonylContact O-C 3.58Å; K998-N1001 PolarHBondContact O-N 3.04Å; L999-N1001 VanDerWaalsContact C-N 3.27Å; L999-N1001 PolarHBondContact O-N 3.08Å; N1001-T1004 WeakPolarHBondContact CA-OG1 3.09Å; N1001-T1004 PolarHBondContact O-OG1 2.67Å
1002E30.8Very low38.4Very low144 Ų144124.2 Ų124.267%0.67357%0.573SS**Hα-helixtrans-102.1-25.9177.8-71.8177.1-170.800111.9K998 L999K998-E1002 WeakPolarHBondContact O-CB 3.46Å; K998-E1002 WeakPolarHBondContact O-CG 3.3Å; K998-E1002 PolarHBondContact O-N 3.1Å; L999-E1002 CarbonylContact O-C 3.54Å; L999-E1002 WeakPolarHBondContact O-CA 3.34Å; L999-E1002 PolarHBondContact O-N 3.44Å
1003E34.1Very low39.6Very low126 Ų126125 Ų12559%0.58958%0.577SS**Hα-helixtrans-80-21.5172-72.7175.7165.500113.4L999 K1005L999-E1003 WeakPolarHBondContact O-CB 3.2Å; L999-E1003 WeakPolarHBondContact O-CG 3.31Å; L999-E1003 PolarHBondContact O-N 3.06Å; E1003-K1005 PolarHBondContact O-N 3.18Å
1004T34.3Very low41.5Very low74 Ų74117.7 Ų117.745%0.45455%0.55SS..SBendtrans-70.427.8176.734.20000114.2W1000 N1001W1000-T1004 VanDerWaalsContact O-CG2 3.22Å; W1000-T1004 WeakPolarHBondContact O-CG2 3.48Å; W1000-T1004 PolarHBondContact O-OG1 3.29Å; N1001-T1004 WeakPolarHBondContact CA-OG1 3.09Å; N1001-T1004 PolarHBondContact O-OG1 2.67Å
1005K28.6Very low43.6Very low170 Ų170112.6 Ų112.674%0.73954%0.541SS*.SBendtrans-124.798.3164.4-74.3179-178.6168.60108.8E1003 K1007E1003-K1005 PolarHBondContact O-N 3.18Å; K1005-K1007 PolarHBondContact O-N 3.15Å
1006P36.2Very low45.9Very low120 Ų120113.8 Ų113.878%0.77955%0.545SS*.  trans-59.1114.2173.624.3-33.1000109.1R1008P1006-R1008 PolarHBondContact O-N 3.19Å
1007K35.8Very low47.8Very low198 Ų198107.3 Ų107.386%0.86152%0.52SS*.  trans-61.7107.2162.7-73.5175.6-176.8164.90106.1K1005 E1009K1005-K1007 PolarHBondContact O-N 3.15Å; K1007-E1009 VanDerWaalsContact C-N 3.25Å; K1007-E1009 PolarHBondContact O-N 3.34Å
1008R38.1Very low50.1Low243 Ų243106.8 Ų106.892%0.91752%0.517SS*.  trans-62.192.5167.4-80.5-176.5164.9-175.6-6.6108.1P1006 S1010P1006-R1008 PolarHBondContact O-N 3.19Å; R1008-S1010 PolarHBondContact O-N 3.2Å
1009E45.2Very low52.3Low91 Ų91104.1 Ų104.143%0.42551%0.507SS..  trans-47.4123.9164.5-64.3173.9142.600107.8K923 K927 K1007K923-E1009 WeakPolarHBondContact CE-OE2 3.43Å; K923-E1009 IonicContact NZ-OE2 2.67Å; K923-E1009 PolarHBondContact NZ-OE2 2.93Å; K927-E1009 WeakPolarHBondContact CE-OE2 3.24Å; K927-E1009 IonicContact NZ-OE1 2.69Å; K927-E1009 PolarHBondContact NZ-OE1 3.22Å; K927-E1009 IonicContact NZ-OE2 2.84Å; K927-E1009 PolarHBondContact NZ-OE2 3.25Å; K1007-E1009 VanDerWaalsContact C-N 3.25Å; K1007-E1009 PolarHBondContact O-N 3.34Å
1010S49.1Very low54.3Low49 Ų49104 Ų10434%0.34351%0.512SS..  trans-69.7147.5172.7108.50000107.8R1008 K1012 D1013R1008-S1010 PolarHBondContact O-N 3.2Å; S1010-K1012 PolarHBondContact O-N 3.32Å; S1010-K1012 WeakPolarHBondContact OG-CB 3.22Å; S1010-K1012 PolarHBondContact OG-N 3.03Å; S1010-D1013 WeakPolarHBondContact CA-OD2 3.4Å; S1010-D1013 WeakPolarHBondContact CB-OD2 3.48Å; S1010-D1013 PolarHBondContact N-OD2 3.3Å; S1010-D1013 WeakPolarHBondContact O-CB 3.38Å; S1010-D1013 PolarHBondContact O-N 3.16Å; S1010-D1013 PolarHBondContact OG-OD1 3.34Å; S1010-D1013 PolarHBondContact OG-OD2 3.24Å; S1010-D1013 VanDerWaalsContact OG-OD2 3.1Å
1011T55.6Low56.3Low56 Ų56101.3 Ų101.334%0.34450%0.502SS..G310 helixtrans-55.7-29.3-179.657.50000112.3D1013 L1014 F1224 E1225T1011-D1013 PolarHBondContact O-N 2.97Å; T1011-L1014 WeakPolarHBondContact O-CB 3.48Å; T1011-L1014 PolarHBondContact O-N 3.07Å; T1011-F1224 HydrophobicContact CG2-CD1 4.18Å; T1011-F1224 HydrophobicContact CG2-CE1 4.31Å; T1011-E1225 WeakPolarHBondContact CB-OE1 3.29Å; T1011-E1225 PolarHBondContact OG1-OE1 2.63Å
1012K52.6Low58.8Low171 Ų17195.9 Ų95.974%0.74347%0.473SS*.G310 helixtrans-70.4-11.4-179.5-52.1179.4179.5-179.60114S1010 E1225S1010-K1012 PolarHBondContact O-N 3.32Å; S1010-K1012 WeakPolarHBondContact OG-CB 3.22Å; S1010-K1012 PolarHBondContact OG-N 3.03Å; K1012-E1225 PolarHBondContact N-OE1 2.66Å
1013D57.6Low61.3Low113 Ų11393 Ų9360%0.60446%0.462SS*.G310 helixtrans-93.4-5.2-178.2-48.2-35.3000111.7S1010 T1011S1010-D1013 WeakPolarHBondContact CA-OD2 3.4Å; S1010-D1013 WeakPolarHBondContact CB-OD2 3.48Å; S1010-D1013 PolarHBondContact N-OD2 3.3Å; S1010-D1013 WeakPolarHBondContact O-CB 3.38Å; S1010-D1013 PolarHBondContact O-N 3.16Å; S1010-D1013 PolarHBondContact OG-OD1 3.34Å; S1010-D1013 PolarHBondContact OG-OD2 3.24Å; S1010-D1013 VanDerWaalsContact OG-OD2 3.1Å; T1011-D1013 PolarHBondContact O-N 2.97Å
1014L75.9Confident63.6Low21 Ų2188 Ų8811%0.1144%0.438CS..SBendtrans-75.5138.4177.3-66.6171.7000111.6K923 Y926 K927 T1011 F1224K923-L1014 HydrophobicContact CG-CD1 4.15Å; Y926-L1014 HydrophobicContact CD1-CD1 4.43Å; Y926-L1014 HydrophobicContact CE1-CB 4.22Å; Y926-L1014 HydrophobicContact CE1-CD1 4.42Å; K927-L1014 HydrophobicContact CD-CD2 4.45Å; K927-L1014 HydrophobicContact CG-CD2 4.11Å; T1011-L1014 WeakPolarHBondContact O-CB 3.48Å; T1011-L1014 PolarHBondContact O-N 3.07Å; L1014-F1224 HydrophobicContact CD1-CB 3.55Å; L1014-F1224 HydrophobicContact CD1-CD1 3.72Å; L1014-F1224 HydrophobicContact CD1-CG 3.66Å
1015P79.1Confident66.2Low81 Ų8184.5 Ų84.553%0.52642%0.417SS..PPolyproline II helixtrans-63.9157.6171-15.228000111.8Y926 V930Y926-P1015 WeakPolarHBondContact CE1-O 3.48Å; Y926-P1015 PolarHBondContact OH-O 3.05Å; V930-P1015 HydrophobicContact CG1-CB 3.64Å; V930-P1015 HydrophobicContact CG1-CG 3.72Å
1016K83.1Confident69Low121 Ų12177 Ų7753%0.52639%0.386SS..PPolyproline II helixtrans-86.5141.9-179.8-57-169.2-177.5-171.60111.6Y926 A1221 I1222 T1223Y926-K1016 WeakPolarHBondContact OH-CA 3.38Å; K1016-A1221 HydrophobicContact CB-CB 3.75Å; K1016-A1221 HydrophobicContact CD-CB 3.83Å; K1016-A1221 HydrophobicContact CG-CB 4.48Å; K1016-I1222 CarbonylContact C-O 3.57Å; K1016-I1222 VanDerWaalsContact CA-O 3.24Å; K1016-I1222 WeakPolarHBondContact CA-O 3.13Å; K1016-I1222 VanDerWaalsContact CB-O 3.3Å; K1016-I1222 WeakPolarHBondContact CB-O 3.4Å; K1016-T1223 HydrophobicContact CD-CG2 4.13Å; K1016-T1223 HydrophobicContact CG-CG2 4.22Å
1017L83.4Confident71.3Confident0 Ų076 Ų760%037%0.369CS..BIsolated β-bridgetrans-70.7129.3168.4-70.1169.7000109.8Y926 H929 V930 Q1021 L1025 A1221 I1222Y926-L1017 HydrophobicContact CD2-CD1 3.56Å; Y926-L1017 HydrophobicContact CD2-CG 4.07Å; Y926-L1017 HydrophobicContact CE2-CD1 3.44Å; Y926-L1017 VanDerWaalsContact CE2-CD1 3.44Å; Y926-L1017 HydrophobicContact CE2-CG 3.61Å; Y926-L1017 HydrophobicContact CG-CD1 4.49Å; Y926-L1017 PolarHBondContact OH-N 2.93Å; H929-L1017 HydrophobicContact CB-CD2 3.83Å; V930-L1017 HydrophobicContact CB-CD2 4.47Å; V930-L1017 HydrophobicContact CG2-CD2 3.64Å; V930-L1017 HydrophobicContact CG2-CG 4.05Å; L1017-Q1021 HydrophobicContact CD2-CB 3.84Å; L1017-L1025 HydrophobicContact CD1-CD2 3.64Å; L1017-A1221 CarbonylContact O-C 3.53Å; L1017-A1221 WeakPolarHBondContact O-CA 3.44Å; L1017-I1222 PolarHBondContact N-O 3.41Å; L1017-I1222 PolarHBondContact O-N 2.85Å
1018N84.1Confident73.7Confident66 Ų6666.7 Ų66.735%0.35333%0.328SS..  trans-84178.3168.971.936.9000111.5S1020 Q1021 F1022N1018-S1020 PolarHBondContact O-N 2.92Å; N1018-S1020 PolarHBondContact OD1-N 3.23Å; N1018-S1020 PolarHBondContact OD1-OG 3.07Å; N1018-Q1021 VanDerWaalsContact N-OE1 3.17Å; N1018-Q1021 PolarHBondContact ND2-OE1 3.03Å; N1018-Q1021 PolarHBondContact O-N 2.87Å; N1018-Q1021 WeakPolarHBondContact OD1-CB 3.31Å; N1018-Q1021 WeakPolarHBondContact OD1-CG 3.41Å; N1018-Q1021 PolarHBondContact OD1-N 3.47Å; N1018-F1022 WeakPolarHBondContact O-CB 3.3Å; N1018-F1022 PolarHBondContact O-N 3.1Å
1019Q80.1Confident76Confident78 Ų7855.5 Ų55.536%0.36429%0.287SS..Hα-helixtrans-63.4-41.6-173.1-166.6176.2-1.900113.9I1023 W1220Q1019-I1023 HydrophobicContact CG-CD1 4.17Å; Q1019-I1023 WeakPolarHBondContact O-CD1 3.12Å; Q1019-I1023 VanDerWaalsContact O-CG1 3.28Å; Q1019-I1023 WeakPolarHBondContact O-CG1 3.4Å; Q1019-I1023 PolarHBondContact O-N 2.7Å; Q1019-I1023 VanDerWaalsContact O-N 3.08Å; Q1019-W1220 VanDerWaalsContact CA-CE3 3.49Å; Q1019-W1220 VanDerWaalsContact CA-CZ3 3.49Å; Q1019-W1220 HydrophobicContact CB-CD2 4.25Å; Q1019-W1220 HydrophobicContact CB-CE3 3.72Å; Q1019-W1220 HydrophobicContact CB-CZ3 4.16Å; Q1019-W1220 HydrophobicContact CG-CD2 4.45Å; Q1019-W1220 HydrophobicContact CG-CE3 4.25Å
1020S80Confident78Confident68 Ų6855 Ų5548%0.47628%0.282SS..Hα-helixtrans-70.3-42.7177.850.60000111.7N1018 F1022 I1023 E1024N1018-S1020 PolarHBondContact O-N 2.92Å; N1018-S1020 PolarHBondContact OD1-N 3.23Å; N1018-S1020 PolarHBondContact OD1-OG 3.07Å; S1020-F1022 VanDerWaalsContact C-N 3.28Å; S1020-F1022 PolarHBondContact O-N 2.96Å; S1020-I1023 PolarHBondContact O-N 2.98Å; S1020-E1024 WeakPolarHBondContact O-CB 3.36Å; S1020-E1024 PolarHBondContact O-N 3.2Å
1021Q85.2Confident79.7Confident17 Ų1753.2 Ų53.28%0.07927%0.27CS..Hα-helixtrans-60.5-35.3175.6-71.2177.2-41.100112.9H929 V930 L931 L1017 N1018 L1025H929-Q1021 WeakPolarHBondContact O-CB 3.15Å; H929-Q1021 VanDerWaalsContact O-CD 3.25Å; H929-Q1021 VanDerWaalsContact O-CG 3.26Å; H929-Q1021 WeakPolarHBondContact O-CG 3.33Å; H929-Q1021 PolarHBondContact O-NE2 3.32Å; H929-Q1021 VanDerWaalsContact O-NE2 3.17Å; V930-Q1021 VanDerWaalsContact C-NE2 3.3Å; V930-Q1021 PolarHBondContact O-NE2 2.94Å; L931-Q1021 PolarHBondContact O-NE2 3.04Å; L1017-Q1021 HydrophobicContact CD2-CB 3.84Å; N1018-Q1021 VanDerWaalsContact N-OE1 3.17Å; N1018-Q1021 PolarHBondContact ND2-OE1 3.03Å; N1018-Q1021 PolarHBondContact O-N 2.87Å; N1018-Q1021 WeakPolarHBondContact OD1-CB 3.31Å; N1018-Q1021 WeakPolarHBondContact OD1-CG 3.41Å; N1018-Q1021 PolarHBondContact OD1-N 3.47Å; Q1021-L1025 WeakPolarHBondContact O-CB 3.06Å; Q1021-L1025 PolarHBondContact O-N 2.98Å
1022F85.3Confident81.1Confident6 Ų650.7 Ų50.73%0.02625%0.254CS..Hα-helixtrans-72.7-44.1175.5176.2-106.6000112.9N1018 S1020 E1024 L1025 C1026 T1050 L1053 L1054 W1220 I1222N1018-F1022 WeakPolarHBondContact O-CB 3.3Å; N1018-F1022 PolarHBondContact O-N 3.1Å; S1020-F1022 VanDerWaalsContact C-N 3.28Å; S1020-F1022 PolarHBondContact O-N 2.96Å; F1022-E1024 PolarHBondContact O-N 2.89Å; F1022-L1025 WeakPolarHBondContact O-CB 3.46Å; F1022-L1025 PolarHBondContact O-N 3.44Å; F1022-C1026 PolarHBondContact O-N 3.43Å; F1022-C1026 PolarHBondContact O-SG 2.88Å; F1022-C1026 VanDerWaalsContact O-SG 3.37Å; F1022-T1050 HydrophobicContact CE1-CG2 3.99Å; F1022-T1050 HydrophobicContact CZ-CG2 4.06Å; F1022-L1053 HydrophobicContact CE2-CB 4.15Å; F1022-L1053 HydrophobicContact CE2-CD1 3.75Å; F1022-L1053 HydrophobicContact CZ-CB 3.82Å; F1022-L1053 HydrophobicContact CZ-CD1 4.12Å; F1022-L1054 HydrophobicContact CE1-CD2 4.28Å; F1022-L1054 HydrophobicContact CE1-CG 4.22Å; F1022-W1220 HydrophobicContact CB-CH2 3.67Å; F1022-W1220 HydrophobicContact CB-CZ3 3.76Å; F1022-W1220 AromaticContact CD1-CH2 3.44Å; F1022-W1220 HydrophobicContact CD1-CH2 3.44Å; F1022-W1220 VanDerWaalsContact CD1-CH2 3.44Å; F1022-W1220 HydrophobicContact CD1-CZ2 4.14Å; F1022-W1220 HydrophobicContact CD1-CZ3 4.34Å; F1022-W1220 HydrophobicContact CD2-CH2 4.37Å; F1022-W1220 HydrophobicContact CE1-CH2 4.11Å; F1022-W1220 HydrophobicContact CE1-CZ2 4.46Å; F1022-W1220 AromaticContact CG-CH2 3.57Å; F1022-W1220 HydrophobicContact CG-CH2 3.57Å; F1022-W1220 HydrophobicContact CG-CZ3 4.19Å; F1022-I1222 HydrophobicContact CD1-CD1 4.38Å; F1022-I1222 HydrophobicContact CD2-CD1 3.6Å; F1022-I1222 HydrophobicContact CE1-CD1 4.41Å; F1022-I1222 HydrophobicContact CE2-CD1 3.66Å; F1022-I1222 HydrophobicContact CG-CD1 3.96Å; F1022-I1222 HydrophobicContact CZ-CD1 4.06Å
1023I83.9Confident82.7Confident85 Ų8542.5 Ų42.544%0.43622%0.218SC..Hα-helixtrans-56.4-42.4173.8-71.3164.1000110.1Q1019 S1020 C1026 K1027Q1019-I1023 HydrophobicContact CG-CD1 4.17Å; Q1019-I1023 WeakPolarHBondContact O-CD1 3.12Å; Q1019-I1023 VanDerWaalsContact O-CG1 3.28Å; Q1019-I1023 WeakPolarHBondContact O-CG1 3.4Å; Q1019-I1023 PolarHBondContact O-N 2.7Å; Q1019-I1023 VanDerWaalsContact O-N 3.08Å; S1020-I1023 PolarHBondContact O-N 2.98Å; I1023-C1026 WeakPolarHBondContact O-CB 3.42Å; I1023-C1026 PolarHBondContact O-N 3.07Å; I1023-K1027 PolarHBondContact O-N 3.01Å
1024E83.6Confident83.6Confident20 Ų2038.2 Ų38.29%0.09320%0.197CC..Hα-helixtrans-67.9-38.9178.1-169.870.7178.300112.9H881 R888 S1020 F1022 C1026 K1027 T1028H881-E1024 IonicContact CE1-OE1 2.69Å; H881-E1024 PolarHBondContact CE1-OE1 3.01Å; H881-E1024 IonicContact CE1-OE2 3.78Å; H881-E1024 IonicContact ND1-OE1 2.61Å; R888-E1024 IonicContact CZ-OE1 2.65Å; R888-E1024 VanDerWaalsContact NH2-CG 3.27Å; R888-E1024 IonicContact NH2-OE1 3.18Å; R888-E1024 PolarHBondContact NH2-OE1 3.43Å; S1020-E1024 WeakPolarHBondContact O-CB 3.36Å; S1020-E1024 PolarHBondContact O-N 3.2Å; F1022-E1024 PolarHBondContact O-N 2.89Å; E1024-C1026 VanDerWaalsContact C-N 3.31Å; E1024-C1026 PolarHBondContact O-N 3.34Å; E1024-K1027 PolarHBondContact O-N 3.28Å; E1024-K1027 WeakPolarHBondContact OE2-CD 3.49Å; E1024-K1027 WeakPolarHBondContact OE2-CE 3.43Å; E1024-K1027 IonicContact OE2-NZ 2.73Å; E1024-K1027 PolarHBondContact OE2-NZ 3.02Å; E1024-T1028 PolarHBondContact O-N 3.22Å; E1024-T1028 PolarHBondContact O-OG1 3.38Å
1025L87.4Confident83.5Confident1 Ų142.8 Ų42.81%0.00522%0.218CC..Hα-helixtrans-59.1-41.1169.7173.663.4000111.6L925 H929 L1017 Q1021 F1022 T1028 L1029 F1227L925-L1025 HydrophobicContact CD1-CD1 4.38Å; L925-L1025 HydrophobicContact CD2-CD1 4Å; L925-L1025 HydrophobicContact CG-CD1 3.79Å; H929-L1025 HydrophobicContact CB-CB 4.21Å; H929-L1025 VanDerWaalsContact CD2-CA 3.49Å; H929-L1025 WeakPolarHBondContact CD2-CA 3.4Å; L1017-L1025 HydrophobicContact CD1-CD2 3.64Å; Q1021-L1025 WeakPolarHBondContact O-CB 3.06Å; Q1021-L1025 PolarHBondContact O-N 2.98Å; F1022-L1025 WeakPolarHBondContact O-CB 3.46Å; F1022-L1025 PolarHBondContact O-N 3.44Å; L1025-T1028 WeakPolarHBondContact O-CB 3.44Å; L1025-T1028 PolarHBondContact O-N 2.84Å; L1025-L1029 HydrophobicContact CG-CD1 4.46Å; L1025-L1029 WeakPolarHBondContact O-CG 3.4Å; L1025-L1029 PolarHBondContact O-N 3.45Å; L1025-F1227 HydrophobicContact CD2-CD2 4.21Å; L1025-F1227 HydrophobicContact CD2-CE2 3.82Å; L1025-F1227 HydrophobicContact CD2-CZ 4.06Å
1026C86.9Confident83.6Confident13 Ų1340.5 Ų40.59%0.08820%0.201CC..Hα-helixtrans-62.7-46.2174.6-66.10000111.6F1022 I1023 E1024 T1028 L1029 Y1030 T1050F1022-C1026 PolarHBondContact O-N 3.43Å; F1022-C1026 PolarHBondContact O-SG 2.88Å; F1022-C1026 VanDerWaalsContact O-SG 3.37Å; I1023-C1026 WeakPolarHBondContact O-CB 3.42Å; I1023-C1026 PolarHBondContact O-N 3.07Å; E1024-C1026 VanDerWaalsContact C-N 3.31Å; E1024-C1026 PolarHBondContact O-N 3.34Å; C1026-T1028 VanDerWaalsContact C-N 3.32Å; C1026-T1028 PolarHBondContact O-N 3.45Å; C1026-L1029 WeakPolarHBondContact O-CB 3.44Å; C1026-L1029 PolarHBondContact O-N 3.16Å; C1026-L1029 VanDerWaalsContact O-N 3.17Å; C1026-Y1030 HydrophobicContact CB-CE2 4.45Å; C1026-Y1030 WeakPolarHBondContact O-CD2 3.37Å; C1026-Y1030 PolarHBondContact O-N 3.38Å; C1026-T1050 PolarHBondContact SG-OG1 2.88Å
1027K85.3Confident83.5Confident98 Ų9841.9 Ų41.943%0.42622%0.219SC..Hα-helixtrans-57.7-43.9175-64.1-178-155.5154.70112.2I1023 E1024 L1029 Y1030 S1031I1023-K1027 PolarHBondContact O-N 3.01Å; E1024-K1027 PolarHBondContact O-N 3.28Å; E1024-K1027 WeakPolarHBondContact OE2-CD 3.49Å; E1024-K1027 WeakPolarHBondContact OE2-CE 3.43Å; E1024-K1027 IonicContact OE2-NZ 2.73Å; E1024-K1027 PolarHBondContact OE2-NZ 3.02Å; K1027-L1029 VanDerWaalsContact C-N 3.34Å; K1027-L1029 PolarHBondContact O-N 3.03Å; K1027-Y1030 PolarHBondContact O-N 2.88Å; K1027-S1031 PolarHBondContact O-N 2.95Å
1028T86.8Confident83.6Confident2 Ų243.5 Ų43.51%0.01223%0.233CC..Hα-helixtrans-57-46.7175.3-69.90000111.3L885 L925 H929 E1024 L1025 C1026 S1031 M1032L885-T1028 HydrophobicContact CD1-CG2 3.59Å; L885-T1028 HydrophobicContact CD2-CG2 4.14Å; L885-T1028 HydrophobicContact CG-CG2 4.47Å; L925-T1028 HydrophobicContact CD1-CG2 4.12Å; H929-T1028 WeakPolarHBondContact NE2-CB 3.36Å; H929-T1028 PolarHBondContact NE2-OG1 3.48Å; E1024-T1028 PolarHBondContact O-N 3.22Å; E1024-T1028 PolarHBondContact O-OG1 3.38Å; L1025-T1028 WeakPolarHBondContact O-CB 3.44Å; L1025-T1028 PolarHBondContact O-N 2.84Å; C1026-T1028 VanDerWaalsContact C-N 3.32Å; C1026-T1028 PolarHBondContact O-N 3.45Å; T1028-S1031 PolarHBondContact O-N 3.39Å; T1028-M1032 HydrophobicContact CG2-CG 4.23Å; T1028-M1032 HydrophobicContact CG2-SD 3.62Å; T1028-M1032 WeakPolarHBondContact O-CB 3.34Å; T1028-M1032 VanDerWaalsContact O-CG 3.29Å; T1028-M1032 WeakPolarHBondContact O-CG 3.29Å; T1028-M1032 PolarHBondContact O-N 2.95Å
1029L86.4Confident83.7Confident9 Ų943.7 Ų43.75%0.04723%0.232CC..Hα-helixtrans-59.5-47.6176.4-70.9167.7000111.6L925 L1025 C1026 K1027 S1031 M1032 F1033 T1046 F1241L925-L1029 HydrophobicContact CD2-CD2 3.84Å; L1025-L1029 HydrophobicContact CG-CD1 4.46Å; L1025-L1029 WeakPolarHBondContact O-CG 3.4Å; L1025-L1029 PolarHBondContact O-N 3.45Å; C1026-L1029 WeakPolarHBondContact O-CB 3.44Å; C1026-L1029 PolarHBondContact O-N 3.16Å; C1026-L1029 VanDerWaalsContact O-N 3.17Å; K1027-L1029 VanDerWaalsContact C-N 3.34Å; K1027-L1029 PolarHBondContact O-N 3.03Å; L1029-S1031 VanDerWaalsContact C-N 3.32Å; L1029-S1031 PolarHBondContact O-N 2.91Å; L1029-M1032 PolarHBondContact O-N 3.15Å; L1029-F1033 HydrophobicContact CB-CE2 3.88Å; L1029-F1033 HydrophobicContact CB-CZ 4.34Å; L1029-F1033 HydrophobicContact CD2-CE2 4.09Å; L1029-F1033 HydrophobicContact CD2-CZ 3.72Å; L1029-F1033 WeakPolarHBondContact O-CD2 3.35Å; L1029-F1033 WeakPolarHBondContact O-CE2 3.45Å; L1029-F1033 VanDerWaalsContact O-CG 3.31Å; L1029-F1033 WeakPolarHBondContact O-CG 3.36Å; L1029-F1033 PolarHBondContact O-N 3.26Å; L1029-T1046 HydrophobicContact CB-CG2 4.18Å; L1029-T1046 HydrophobicContact CD1-CG2 4.31Å; L1029-F1241 HydrophobicContact CD2-CE2 4.35Å; L1029-F1241 HydrophobicContact CD2-CZ 3.94Å
1030Y86.4Confident83.9Confident79 Ų7948.2 Ų48.231%0.3125%0.253SS..Hα-helixtrans-59.4-39.7176.2-72.3-69.1000112.7C1026 K1027 S1034 Y1043 T1046C1026-Y1030 HydrophobicContact CB-CE2 4.45Å; C1026-Y1030 WeakPolarHBondContact O-CD2 3.37Å; C1026-Y1030 PolarHBondContact O-N 3.38Å; K1027-Y1030 PolarHBondContact O-N 2.88Å; Y1030-S1034 PolarHBondContact O-N 3.45Å; Y1030-Y1043 AromaticContact CD1-CD1 3.47Å; Y1030-Y1043 HydrophobicContact CD1-CD1 3.47Å; Y1030-Y1043 VanDerWaalsContact CD1-CD1 3.47Å; Y1030-Y1043 AromaticContact CD1-CE1 3.7Å; Y1030-Y1043 HydrophobicContact CD1-CE1 3.7Å; Y1030-Y1043 AromaticContact CD1-CG 3.98Å; Y1030-Y1043 HydrophobicContact CD1-CG 3.98Å; Y1030-Y1043 AromaticContact CE1-CD1 3.96Å; Y1030-Y1043 HydrophobicContact CE1-CD1 3.96Å; Y1030-Y1043 HydrophobicContact CE1-CG 4.14Å; Y1030-Y1043 HydrophobicContact CG-CE1 4.48Å; Y1030-Y1043 VanDerWaalsContact O-CE1 3.32Å; Y1030-Y1043 WeakPolarHBondContact O-CE1 3.35Å; Y1030-Y1043 PolarHBondContact O-OH 3.4Å; Y1030-T1046 HydrophobicContact CE1-CG2 4.16Å; Y1030-T1046 HydrophobicContact CE2-CG2 3.95Å
1031S85.4Confident84.3Confident13 Ų1350.9 Ų50.99%0.09126%0.258CS..Hα-helixtrans-66.5-43.2174.4-170.40000112.5N878 G879 A880 H881 K1027 T1028 L1029 F1033 S1034N878-S1031 PolarHBondContact O-OG 3.04Å; G879-S1031 WeakPolarHBondContact CA-OG 3.33Å; A880-S1031 PolarHBondContact N-OG 3.23Å; H881-S1031 PolarHBondContact N-OG 3.29Å; H881-S1031 VanDerWaalsContact N-OG 3.1Å; K1027-S1031 PolarHBondContact O-N 2.95Å; T1028-S1031 PolarHBondContact O-N 3.39Å; L1029-S1031 VanDerWaalsContact C-N 3.32Å; L1029-S1031 PolarHBondContact O-N 2.91Å; S1031-F1033 VanDerWaalsContact C-N 3.26Å; S1031-F1033 PolarHBondContact O-N 3.14Å; S1031-S1034 WeakPolarHBondContact O-CB 3.44Å; S1031-S1034 PolarHBondContact O-N 2.98Å; S1031-S1034 PolarHBondContact O-OG 2.59Å
1032M84Confident84.4Confident2 Ų250.2 Ų50.21%0.0126%0.255CS..Hα-helixtrans-64.6-26.5-178.3-78.4173.745.500114W876 L885 L925 T1028 L1029 Y1240 F1241W876-M1032 HydrophobicContact CB-CE 3.99Å; W876-M1032 HydrophobicContact CB-CG 4.04Å; W876-M1032 HydrophobicContact CB-SD 4Å; W876-M1032 HydrophobicContact CD2-CE 3.57Å; W876-M1032 HydrophobicContact CD2-SD 4.19Å; W876-M1032 HydrophobicContact CE3-CE 4.2Å; W876-M1032 HydrophobicContact CE3-SD 4.37Å; W876-M1032 HydrophobicContact CG-CE 3.45Å; W876-M1032 VanDerWaalsContact CG-CE 3.45Å; W876-M1032 HydrophobicContact CG-SD 4.05Å; L885-M1032 HydrophobicContact CD2-CG 4.46Å; L885-M1032 HydrophobicContact CD2-SD 4.26Å; L925-M1032 HydrophobicContact CD1-SD 4.09Å; T1028-M1032 HydrophobicContact CG2-CG 4.23Å; T1028-M1032 HydrophobicContact CG2-SD 3.62Å; T1028-M1032 WeakPolarHBondContact O-CB 3.34Å; T1028-M1032 VanDerWaalsContact O-CG 3.29Å; T1028-M1032 WeakPolarHBondContact O-CG 3.29Å; T1028-M1032 PolarHBondContact O-N 2.95Å; L1029-M1032 PolarHBondContact O-N 3.15Å; M1032-Y1240 HydrophobicContact CE-CE1 4.3Å; M1032-Y1240 PolarHBondContact O-OH 3.03Å; M1032-F1241 HydrophobicContact CE-CE1 3.94Å; M1032-F1241 HydrophobicContact CE-CZ 4.07Å
1033F86.7Confident84.7Confident0 Ų053.2 Ų53.20%027%0.266CS..THydrogen-bonded Turntrans-94.6-5.5178.6-49.1-39.2000113.7L1029 S1031 D1036 L1042 Y1043 T1046 L1237 Y1240 F1241L1029-F1033 HydrophobicContact CB-CE2 3.88Å; L1029-F1033 HydrophobicContact CB-CZ 4.34Å; L1029-F1033 HydrophobicContact CD2-CE2 4.09Å; L1029-F1033 HydrophobicContact CD2-CZ 3.72Å; L1029-F1033 WeakPolarHBondContact O-CD2 3.35Å; L1029-F1033 WeakPolarHBondContact O-CE2 3.45Å; L1029-F1033 VanDerWaalsContact O-CG 3.31Å; L1029-F1033 WeakPolarHBondContact O-CG 3.36Å; L1029-F1033 PolarHBondContact O-N 3.26Å; S1031-F1033 VanDerWaalsContact C-N 3.26Å; S1031-F1033 PolarHBondContact O-N 3.14Å; F1033-D1036 PolarHBondContact O-N 2.77Å; F1033-L1042 HydrophobicContact CB-CB 3.99Å; F1033-L1042 HydrophobicContact CB-CD1 3.96Å; F1033-L1042 HydrophobicContact CD1-CB 4.41Å; F1033-L1042 HydrophobicContact CD1-CD1 3.92Å; F1033-L1042 HydrophobicContact CD2-CB 3.74Å; F1033-L1042 HydrophobicContact CE2-CB 4.33Å; F1033-L1042 HydrophobicContact CG-CB 3.79Å; F1033-L1042 HydrophobicContact CG-CD1 3.95Å; F1033-L1042 HydrophobicContact CG-CG 4.38Å; F1033-Y1043 HydrophobicContact CB-CD1 4.26Å; F1033-Y1043 HydrophobicContact CB-CE1 3.84Å; F1033-Y1043 HydrophobicContact CD2-CD1 4.37Å; F1033-T1046 WeakPolarHBondContact CE2-OG1 3.47Å; F1033-L1237 HydrophobicContact CE1-CD2 4.48Å; F1033-L1237 HydrophobicContact CE2-CD2 3.55Å; F1033-L1237 HydrophobicContact CZ-CD2 3.46Å; F1033-L1237 VanDerWaalsContact CZ-CD2 3.46Å; F1033-Y1240 HydrophobicContact CD1-CD1 4.23Å; F1033-Y1240 AromaticContact CD1-CD2 3.89Å; F1033-Y1240 HydrophobicContact CD1-CD2 3.89Å; F1033-Y1240 AromaticContact CD1-CE1 3.98Å; F1033-Y1240 HydrophobicContact CD1-CE1 3.98Å; F1033-Y1240 AromaticContact CD1-CE2 3.59Å; F1033-Y1240 HydrophobicContact CD1-CE2 3.59Å; F1033-Y1240 HydrophobicContact CD1-CG 4.19Å; F1033-Y1240 AromaticContact CD1-CZ 3.63Å; F1033-Y1240 AromaticContact CE1-CD1 3.59Å; F1033-Y1240 HydrophobicContact CE1-CD1 3.59Å; F1033-Y1240 HydrophobicContact CE1-CD2 4.04Å; F1033-Y1240 AromaticContact CE1-CE1 3.55Å; F1033-Y1240 HydrophobicContact CE1-CE1 3.55Å; F1033-Y1240 AromaticContact CE1-CE2 3.98Å; F1033-Y1240 HydrophobicContact CE1-CE2 3.98Å; F1033-Y1240 AromaticContact CE1-CG 3.85Å; F1033-Y1240 HydrophobicContact CE1-CG 3.85Å; F1033-Y1240 AromaticContact CE1-CZ 3.73Å; F1033-F1241 HydrophobicContact CZ-CE2 4.33Å; F1033-F1241 HydrophobicContact CZ-CZ 4.46Å
1034S77.2Confident84.9Confident23 Ų2355.5 Ų55.516%0.16128%0.275CS..THydrogen-bonded Turntrans-61139.8171.167.20000110.9Y1030 S1031 D1036Y1030-S1034 PolarHBondContact O-N 3.45Å; S1031-S1034 WeakPolarHBondContact O-CB 3.44Å; S1031-S1034 PolarHBondContact O-N 2.98Å; S1031-S1034 PolarHBondContact O-OG 2.59Å; S1034-D1036 PolarHBondContact O-N 3.37Å
1035E73.8Confident85.1Confident117 Ų11754.6 Ų54.655%0.54727%0.271SS..THydrogen-bonded Turntrans65.15.6-173.3-48.2-173162.900116.4T1267E1035-T1267 WeakPolarHBondContact OE2-CB 3.4Å; E1035-T1267 WeakPolarHBondContact OE2-CG2 3.45Å; E1035-T1267 PolarHBondContact OE2-OG1 2.92Å
1036D81.3Confident85.2Confident33 Ų3354.6 Ų54.618%0.17627%0.271CS..  trans-82.5144.1170.1-168.9-79.4000111.6F1033 S1034 A1038 E1039 L1042 K1243F1033-D1036 PolarHBondContact O-N 2.77Å; S1034-D1036 PolarHBondContact O-N 3.37Å; D1036-A1038 PolarHBondContact O-N 3.1Å; D1036-A1038 PolarHBondContact OD1-N 3.01Å; D1036-E1039 WeakPolarHBondContact O-CB 3.37Å; D1036-E1039 PolarHBondContact O-N 3.3Å; D1036-L1042 HydrophobicContact CB-CD1 4.34Å; D1036-K1243 IonicContact OD2-NZ 3.31Å; D1036-K1243 PolarHBondContact OD2-NZ 3.22Å
1037V81.2Confident85.2Confident149 Ų14955.9 Ų55.990%0.90328%0.282SS*.THydrogen-bonded Turntrans-59.6-22.8-178.9-173.70000112.8
1038A84.4Confident85.3Confident34 Ų3453.5 Ų53.528%0.28128%0.276SS..THydrogen-bonded Turntrans-102.113.917600000114.3D1036 Q1040 E1041 L1042D1036-A1038 PolarHBondContact O-N 3.1Å; D1036-A1038 PolarHBondContact OD1-N 3.01Å; A1038-Q1040 VanDerWaalsContact C-N 3.3Å; A1038-Q1040 PolarHBondContact O-N 3.1Å; A1038-Q1040 VanDerWaalsContact O-N 3.09Å; A1038-E1041 PolarHBondContact O-N 3.18Å; A1038-L1042 HydrophobicContact CB-CD1 4.1Å; A1038-L1042 HydrophobicContact CB-CG 4.23Å; A1038-L1042 WeakPolarHBondContact O-CG 3.18Å; A1038-L1042 PolarHBondContact O-N 3.37Å
1039E85.9Confident85.3Confident71 Ų7153.6 Ų53.633%0.33228%0.277SS..Hα-helixtrans-39.1-51.9-176.5177.1174.6-14900113.7D1036 E1041 L1042 Y1043D1036-E1039 WeakPolarHBondContact O-CB 3.37Å; D1036-E1039 PolarHBondContact O-N 3.3Å; E1039-E1041 PolarHBondContact O-N 3.39Å; E1039-L1042 PolarHBondContact O-N 2.94Å; E1039-Y1043 HydrophobicContact CG-CD2 3.89Å; E1039-Y1043 HydrophobicContact CG-CE1 4.14Å; E1039-Y1043 HydrophobicContact CG-CE2 3.37Å; E1039-Y1043 HydrophobicContact CG-CG 4.48Å; E1039-Y1043 WeakPolarHBondContact O-CB 3.29Å; E1039-Y1043 VanDerWaalsContact O-CG 3.24Å; E1039-Y1043 PolarHBondContact O-N 2.98Å; E1039-Y1043 PolarHBondContact OE1-OH 2.66Å; E1039-Y1043 VanDerWaalsContact OE1-OH 3.06Å
1040Q84.8Confident85.3Confident172 Ų17254.3 Ų54.380%0.80428%0.282SS*.Hα-helixtrans-69.9-31.1-177.3-166.6170.812.400114.1A1038 H1044A1038-Q1040 VanDerWaalsContact C-N 3.3Å; A1038-Q1040 PolarHBondContact O-N 3.1Å; A1038-Q1040 VanDerWaalsContact O-N 3.09Å; Q1040-H1044 PolarHBondContact O-N 3.48Å
1041E87.4Confident85.3Confident125 Ų12553.6 Ų53.658%0.58429%0.288SS*.Hα-helixtrans-71.7-39.8171.9-65.3-167.717200110.8A1038 E1039 H1044 A1045 A1236A1038-E1041 PolarHBondContact O-N 3.18Å; E1039-E1041 PolarHBondContact O-N 3.39Å; E1041-H1044 PolarHBondContact O-N 3.43Å; E1041-A1045 WeakPolarHBondContact O-CB 3.25Å; E1041-A1045 PolarHBondContact O-N 3.44Å; E1041-A1236 HydrophobicContact CB-CB 4.47Å
1042L88.8Confident85.1Confident3 Ų355.7 Ų55.72%0.01630%0.298CS..Hα-helixtrans-67.3-39178.9-65.7167.2000111.8F1033 D1036 A1038 E1039 A1045 T1046 A1236 L1237 Y1240F1033-L1042 HydrophobicContact CB-CB 3.99Å; F1033-L1042 HydrophobicContact CB-CD1 3.96Å; F1033-L1042 HydrophobicContact CD1-CB 4.41Å; F1033-L1042 HydrophobicContact CD1-CD1 3.92Å; F1033-L1042 HydrophobicContact CD2-CB 3.74Å; F1033-L1042 HydrophobicContact CE2-CB 4.33Å; F1033-L1042 HydrophobicContact CG-CB 3.79Å; F1033-L1042 HydrophobicContact CG-CD1 3.95Å; F1033-L1042 HydrophobicContact CG-CG 4.38Å; D1036-L1042 HydrophobicContact CB-CD1 4.34Å; A1038-L1042 HydrophobicContact CB-CD1 4.1Å; A1038-L1042 HydrophobicContact CB-CG 4.23Å; A1038-L1042 WeakPolarHBondContact O-CG 3.18Å; A1038-L1042 PolarHBondContact O-N 3.37Å; E1039-L1042 PolarHBondContact O-N 2.94Å; L1042-A1045 PolarHBondContact O-N 3.06Å; L1042-T1046 WeakPolarHBondContact O-CB 3.39Å; L1042-T1046 PolarHBondContact O-N 2.95Å; L1042-T1046 PolarHBondContact O-OG1 3.35Å; L1042-A1236 HydrophobicContact CD2-CB 4.17Å; L1042-L1237 HydrophobicContact CD2-CD2 4.23Å; L1042-Y1240 HydrophobicContact CD1-CD2 3.71Å; L1042-Y1240 HydrophobicContact CD1-CE2 4.3Å; L1042-Y1240 HydrophobicContact CD1-CG 4.45Å; L1042-Y1240 HydrophobicContact CD2-CD2 4.4Å; L1042-Y1240 HydrophobicContact CD2-CG 4.36Å
1043Y90.2Very high85.1Confident68 Ų6855.6 Ų55.627%0.26730%0.297SS..Hα-helixtrans-64.9-43.5173.2-69.5-9.7000112.2Y1030 F1033 E1039 T1046 A1047Y1030-Y1043 AromaticContact CD1-CD1 3.47Å; Y1030-Y1043 HydrophobicContact CD1-CD1 3.47Å; Y1030-Y1043 VanDerWaalsContact CD1-CD1 3.47Å; Y1030-Y1043 AromaticContact CD1-CE1 3.7Å; Y1030-Y1043 HydrophobicContact CD1-CE1 3.7Å; Y1030-Y1043 AromaticContact CD1-CG 3.98Å; Y1030-Y1043 HydrophobicContact CD1-CG 3.98Å; Y1030-Y1043 AromaticContact CE1-CD1 3.96Å; Y1030-Y1043 HydrophobicContact CE1-CD1 3.96Å; Y1030-Y1043 HydrophobicContact CE1-CG 4.14Å; Y1030-Y1043 HydrophobicContact CG-CE1 4.48Å; Y1030-Y1043 VanDerWaalsContact O-CE1 3.32Å; Y1030-Y1043 WeakPolarHBondContact O-CE1 3.35Å; Y1030-Y1043 PolarHBondContact O-OH 3.4Å; F1033-Y1043 HydrophobicContact CB-CD1 4.26Å; F1033-Y1043 HydrophobicContact CB-CE1 3.84Å; F1033-Y1043 HydrophobicContact CD2-CD1 4.37Å; E1039-Y1043 HydrophobicContact CG-CD2 3.89Å; E1039-Y1043 HydrophobicContact CG-CE1 4.14Å; E1039-Y1043 HydrophobicContact CG-CE2 3.37Å; E1039-Y1043 HydrophobicContact CG-CG 4.48Å; E1039-Y1043 WeakPolarHBondContact O-CB 3.29Å; E1039-Y1043 VanDerWaalsContact O-CG 3.24Å; E1039-Y1043 PolarHBondContact O-N 2.98Å; E1039-Y1043 PolarHBondContact OE1-OH 2.66Å; E1039-Y1043 VanDerWaalsContact OE1-OH 3.06Å; Y1043-T1046 PolarHBondContact O-N 2.98Å; Y1043-A1047 PolarHBondContact O-N 3.3Å
1044H89Confident84.8Confident133 Ų13358.8 Ų58.862%0.61631%0.314SS*.Hα-helixtrans-62.2-46.9174.7-173-56.9000111.5Q1040 E1041 T1046 A1047 T1048Q1040-H1044 PolarHBondContact O-N 3.48Å; E1041-H1044 PolarHBondContact O-N 3.43Å; H1044-T1046 VanDerWaalsContact C-N 3.32Å; H1044-T1046 PolarHBondContact O-N 3.02Å; H1044-A1047 WeakPolarHBondContact O-CB 3.38Å; H1044-A1047 PolarHBondContact O-N 3.32Å; H1044-T1048 PolarHBondContact O-N 2.92Å; H1044-T1048 PolarHBondContact O-OG1 3.37Å
1045A88.6Confident84.7Confident2 Ų263.7 Ų63.72%0.01733%0.334CS..Hα-helixtrans-60.6-41176.800000112.3E1041 L1042 A1047 T1048 V1049 E1234 A1236 L1237E1041-A1045 WeakPolarHBondContact O-CB 3.25Å; E1041-A1045 PolarHBondContact O-N 3.44Å; L1042-A1045 PolarHBondContact O-N 3.06Å; A1045-A1047 VanDerWaalsContact C-N 3.33Å; A1045-A1047 PolarHBondContact O-N 3.28Å; A1045-T1048 PolarHBondContact O-N 3.31Å; A1045-V1049 WeakPolarHBondContact O-CG2 3.41Å; A1045-V1049 PolarHBondContact O-N 3Å; A1045-E1234 HydrophobicContact CB-CB 3.94Å; A1045-E1234 HydrophobicContact CB-CG 4.06Å; A1045-A1236 HydrophobicContact CB-CB 4.06Å; A1045-L1237 HydrophobicContact CB-CD1 4.09Å; A1045-L1237 HydrophobicContact CB-CG 3.85Å
1046T89.4Confident84.7Confident1 Ų161.1 Ų61.11%0.00632%0.323CS..Hα-helixtrans-61.3-41.6174.8-57.20000111.3L1029 Y1030 F1033 L1042 Y1043 H1044 V1049 T1050L1029-T1046 HydrophobicContact CB-CG2 4.18Å; L1029-T1046 HydrophobicContact CD1-CG2 4.31Å; Y1030-T1046 HydrophobicContact CE1-CG2 4.16Å; Y1030-T1046 HydrophobicContact CE2-CG2 3.95Å; F1033-T1046 WeakPolarHBondContact CE2-OG1 3.47Å; L1042-T1046 WeakPolarHBondContact O-CB 3.39Å; L1042-T1046 PolarHBondContact O-N 2.95Å; L1042-T1046 PolarHBondContact O-OG1 3.35Å; Y1043-T1046 PolarHBondContact O-N 2.98Å; H1044-T1046 VanDerWaalsContact C-N 3.32Å; H1044-T1046 PolarHBondContact O-N 3.02Å; T1046-V1049 PolarHBondContact O-N 2.91Å; T1046-T1050 VanDerWaalsContact O-CB 3.22Å; T1046-T1050 WeakPolarHBondContact O-CB 3.32Å; T1046-T1050 PolarHBondContact O-N 3.06Å; T1046-T1050 PolarHBondContact O-OG1 3.39Å
1047A87.2Confident84Confident39 Ų3959.7 Ų59.732%0.32232%0.316SS..Hα-helixtrans-64.8-40.4175.600000112.6Y1043 H1044 A1045 T1050 S1051Y1043-A1047 PolarHBondContact O-N 3.3Å; H1044-A1047 WeakPolarHBondContact O-CB 3.38Å; H1044-A1047 PolarHBondContact O-N 3.32Å; A1045-A1047 VanDerWaalsContact C-N 3.33Å; A1045-A1047 PolarHBondContact O-N 3.28Å; A1047-T1050 PolarHBondContact O-N 3.49Å; A1047-S1051 WeakPolarHBondContact O-CB 3.26Å; A1047-S1051 PolarHBondContact O-N 3.4Å; A1047-S1051 PolarHBondContact O-OG 2.98Å
1048T86.7Confident83.3Confident48 Ų4858.3 Ų58.329%0.29430%0.3SS..Hα-helixtrans-61.4-50.8173.6-44.20000111.2H1044 A1045 T1050 S1051 L1052 E1234H1044-T1048 PolarHBondContact O-N 2.92Å; H1044-T1048 PolarHBondContact O-OG1 3.37Å; A1045-T1048 PolarHBondContact O-N 3.31Å; T1048-T1050 VanDerWaalsContact C-N 3.33Å; T1048-T1050 PolarHBondContact O-N 3.26Å; T1048-S1051 PolarHBondContact O-N 3.08Å; T1048-L1052 WeakPolarHBondContact O-CB 3.41Å; T1048-L1052 PolarHBondContact O-N 3.21Å; T1048-E1234 VanDerWaalsContact CB-OE1 3.28Å; T1048-E1234 WeakPolarHBondContact CB-OE1 3.41Å; T1048-E1234 VanDerWaalsContact CG2-OE1 3.27Å; T1048-E1234 WeakPolarHBondContact CG2-OE1 3.32Å; T1048-E1234 PolarHBondContact OG1-OE1 2.98Å
1049V86.9Confident82Confident5 Ų560.1 Ų60.13%0.0331%0.307CS..Hα-helixtrans-60.6-43179.31700000111.3A1045 T1046 L1052 L1053 S1230 V1231 E1234 L1237A1045-V1049 WeakPolarHBondContact O-CG2 3.41Å; A1045-V1049 PolarHBondContact O-N 3Å; T1046-V1049 PolarHBondContact O-N 2.91Å; V1049-L1052 PolarHBondContact O-N 3.28Å; V1049-L1053 HydrophobicContact CG1-CD1 3.68Å; V1049-L1053 HydrophobicContact CG1-CG 4.37Å; V1049-L1053 VanDerWaalsContact O-CB 3.3Å; V1049-L1053 WeakPolarHBondContact O-CB 3.28Å; V1049-L1053 VanDerWaalsContact O-CG 3.28Å; V1049-L1053 WeakPolarHBondContact O-CG 3.44Å; V1049-L1053 PolarHBondContact O-N 3.23Å; V1049-S1230 WeakPolarHBondContact CG2-O 3.44Å; V1049-V1231 HydrophobicContact CG1-CG2 4.07Å; V1049-E1234 HydrophobicContact CG2-CB 4.14Å; V1049-E1234 HydrophobicContact CG2-CG 3.75Å; V1049-L1237 HydrophobicContact CB-CD1 4.42Å; V1049-L1237 HydrophobicContact CG2-CD1 3.72Å
1050T86.2Confident80.6Confident24 Ų2458.2 Ų58.215%0.14731%0.306CS..Hα-helixtrans-63.9-43.5179.3-59.30000111F1022 C1026 T1046 A1047 T1048 L1053 L1054F1022-T1050 HydrophobicContact CE1-CG2 3.99Å; F1022-T1050 HydrophobicContact CZ-CG2 4.06Å; C1026-T1050 PolarHBondContact SG-OG1 2.88Å; T1046-T1050 VanDerWaalsContact O-CB 3.22Å; T1046-T1050 WeakPolarHBondContact O-CB 3.32Å; T1046-T1050 PolarHBondContact O-N 3.06Å; T1046-T1050 PolarHBondContact O-OG1 3.39Å; A1047-T1050 PolarHBondContact O-N 3.49Å; T1048-T1050 VanDerWaalsContact C-N 3.33Å; T1048-T1050 PolarHBondContact O-N 3.26Å; T1050-L1053 PolarHBondContact O-N 3.28Å; T1050-L1054 HydrophobicContact CG2-CD1 3.99Å; T1050-L1054 WeakPolarHBondContact O-CB 3.38Å; T1050-L1054 VanDerWaalsContact O-CG 3.26Å; T1050-L1054 WeakPolarHBondContact O-CG 3.44Å; T1050-L1054 PolarHBondContact O-N 3.13Å
1051S85.1Confident79.2Confident63 Ų6352.9 Ų52.944%0.44128%0.281SS..Hα-helixtrans-63.7-48.5177.5-54.70000111.7A1047 T1048 L1053 L1054 E1055A1047-S1051 WeakPolarHBondContact O-CB 3.26Å; A1047-S1051 PolarHBondContact O-N 3.4Å; A1047-S1051 PolarHBondContact O-OG 2.98Å; T1048-S1051 PolarHBondContact O-N 3.08Å; S1051-L1053 VanDerWaalsContact C-N 3.3Å; S1051-L1053 PolarHBondContact O-N 2.89Å; S1051-L1054 PolarHBondContact O-N 3.47Å; S1051-E1055 WeakPolarHBondContact O-CG 3.44Å; S1051-E1055 PolarHBondContact O-N 3.04Å
1052L83.3Confident77.3Confident57 Ų5752.8 Ų52.830%0.29828%0.283SS..Hα-helixtrans-59.2-40.5177.5179.362.5000112.1T1048 V1049 M1056T1048-L1052 WeakPolarHBondContact O-CB 3.41Å; T1048-L1052 PolarHBondContact O-N 3.21Å; V1049-L1052 PolarHBondContact O-N 3.28Å; L1052-M1056 HydrophobicContact CD1-SD 4.19Å; L1052-M1056 HydrophobicContact CG-SD 4.03Å; L1052-M1056 WeakPolarHBondContact O-CB 3.42Å; L1052-M1056 WeakPolarHBondContact O-CG 3.46Å; L1052-M1056 PolarHBondContact O-N 3.44Å
1053L83.4Confident75.4Confident1 Ų160.4 Ų60.41%0.00532%0.317CS..Hα-helixtrans-72.7-33178-75.3174.5000113.4F1022 V1049 T1050 S1051 G1057 I1222 Q1226 F1227 S1230F1022-L1053 HydrophobicContact CE2-CB 4.15Å; F1022-L1053 HydrophobicContact CE2-CD1 3.75Å; F1022-L1053 HydrophobicContact CZ-CB 3.82Å; F1022-L1053 HydrophobicContact CZ-CD1 4.12Å; V1049-L1053 HydrophobicContact CG1-CD1 3.68Å; V1049-L1053 HydrophobicContact CG1-CG 4.37Å; V1049-L1053 VanDerWaalsContact O-CB 3.3Å; V1049-L1053 WeakPolarHBondContact O-CB 3.28Å; V1049-L1053 VanDerWaalsContact O-CG 3.28Å; V1049-L1053 WeakPolarHBondContact O-CG 3.44Å; V1049-L1053 PolarHBondContact O-N 3.23Å; T1050-L1053 PolarHBondContact O-N 3.28Å; S1051-L1053 VanDerWaalsContact C-N 3.3Å; S1051-L1053 PolarHBondContact O-N 2.89Å; L1053-G1057 PolarHBondContact O-N 3.28Å; L1053-I1222 HydrophobicContact CB-CD1 3.85Å; L1053-I1222 HydrophobicContact CD2-CD1 4.31Å; L1053-I1222 HydrophobicContact CD2-CG2 4.29Å; L1053-I1222 HydrophobicContact CG-CD1 4.45Å; L1053-Q1226 HydrophobicContact CD2-CB 4.18Å; L1053-F1227 HydrophobicContact CD1-CD2 3.93Å; L1053-S1230 WeakPolarHBondContact CD2-OG 3.42Å
1054L80.4Confident73.2Confident66 Ų6660.9 Ų60.935%0.34633%0.327SS..Hα-helixtrans-64.3-50.3170.8-75.2165.1000110.7F1022 T1050 S1051 M1056 G1057 E1058 W1220F1022-L1054 HydrophobicContact CE1-CD2 4.28Å; F1022-L1054 HydrophobicContact CE1-CG 4.22Å; T1050-L1054 HydrophobicContact CG2-CD1 3.99Å; T1050-L1054 WeakPolarHBondContact O-CB 3.38Å; T1050-L1054 VanDerWaalsContact O-CG 3.26Å; T1050-L1054 WeakPolarHBondContact O-CG 3.44Å; T1050-L1054 PolarHBondContact O-N 3.13Å; S1051-L1054 PolarHBondContact O-N 3.47Å; L1054-M1056 VanDerWaalsContact C-N 3.35Å; L1054-M1056 PolarHBondContact O-N 3.48Å; L1054-G1057 PolarHBondContact O-N 2.83Å; L1054-G1057 VanDerWaalsContact O-N 3.09Å; L1054-E1058 WeakPolarHBondContact O-CG 3.37Å; L1054-E1058 PolarHBondContact O-N 3.18Å; L1054-W1220 HydrophobicContact CD2-CZ2 4Å
1055E75.6Confident70.8Confident126 Ų12659 Ų5959%0.58933%0.329SS*.Hα-helixtrans-55.9-47.1174.9-72.1179.3-167.600111.7S1051 G1057 E1058 V1059S1051-E1055 WeakPolarHBondContact O-CG 3.44Å; S1051-E1055 PolarHBondContact O-N 3.04Å; E1055-G1057 VanDerWaalsContact C-N 3.31Å; E1055-G1057 PolarHBondContact O-N 3.24Å; E1055-E1058 PolarHBondContact O-N 3.15Å; E1055-V1059 WeakPolarHBondContact O-CB 3.41Å; E1055-V1059 WeakPolarHBondContact O-CG2 3.37Å; E1055-V1059 PolarHBondContact O-N 3.14Å
1056M73.6Confident68Low63 Ų6364.4 Ų64.431%0.3137%0.365SS..Hα-helixtrans-63.9-34176.8-73.9174.262.700112.9L1052 L1054 G1060 Q1226L1052-M1056 HydrophobicContact CD1-SD 4.19Å; L1052-M1056 HydrophobicContact CG-SD 4.03Å; L1052-M1056 WeakPolarHBondContact O-CB 3.42Å; L1052-M1056 WeakPolarHBondContact O-CG 3.46Å; L1052-M1056 PolarHBondContact O-N 3.44Å; L1054-M1056 VanDerWaalsContact C-N 3.35Å; L1054-M1056 PolarHBondContact O-N 3.48Å; M1056-G1060 PolarHBondContact O-N 2.92Å; M1056-Q1226 HydrophobicContact CE-CB 3.99Å; M1056-Q1226 HydrophobicContact CE-CG 3.9Å
1057G66.6Low65.5Low3 Ų367.4 Ų67.43%0.03140%0.396CS..Hα-helixtrans-72.6-37.1175.300000113.4L1053 L1054 E1055 G1060 K1061L1053-G1057 PolarHBondContact O-N 3.28Å; L1054-G1057 PolarHBondContact O-N 2.83Å; L1054-G1057 VanDerWaalsContact O-N 3.09Å; E1055-G1057 VanDerWaalsContact C-N 3.31Å; E1055-G1057 PolarHBondContact O-N 3.24Å; G1057-G1060 WeakPolarHBondContact O-CA 3.21Å; G1057-G1060 PolarHBondContact O-N 3.08Å; G1057-K1061 PolarHBondContact O-N 3.38Å
1058E64.9Low62.8Low121 Ų12175.7 Ų75.757%0.56542%0.419SS*.Hα-helixtrans-68.4-42.2173-71.3-171167.900112L1054 E1055 G1060 K1061L1054-E1058 WeakPolarHBondContact O-CG 3.37Å; L1054-E1058 PolarHBondContact O-N 3.18Å; E1055-E1058 PolarHBondContact O-N 3.15Å; E1058-G1060 PolarHBondContact O-N 3.44Å; E1058-K1061 WeakPolarHBondContact O-CB 3.15Å; E1058-K1061 PolarHBondContact O-N 2.7Å; E1058-K1061 VanDerWaalsContact O-N 3.09Å
1059V58.3Low60.1Low72 Ų7283.3 Ų83.344%0.43645%0.448SS..Hα-helixtrans-59.2-33.5168.8170.90000110.8E1055 K1061 L1062 F1063E1055-V1059 WeakPolarHBondContact O-CB 3.41Å; E1055-V1059 WeakPolarHBondContact O-CG2 3.37Å; E1055-V1059 PolarHBondContact O-N 3.14Å; V1059-K1061 PolarHBondContact O-N 3.13Å; V1059-L1062 WeakPolarHBondContact O-CB 3.13Å; V1059-L1062 PolarHBondContact O-N 3.06Å; V1059-F1063 HydrophobicContact CG1-CD2 4.05Å; V1059-F1063 HydrophobicContact CG1-CE2 3.71Å; V1059-F1063 VanDerWaalsContact O-CD2 3.32Å; V1059-F1063 WeakPolarHBondContact O-CD2 3.46Å; V1059-F1063 PolarHBondContact O-N 3.39Å
1060G56.5Low57.4Low30 Ų3089.1 Ų89.131%0.30948%0.479SS..Hα-helixtrans-54.2-45.8170.700000113.8M1056 G1057 E1058 L1062 F1063 T1064M1056-G1060 PolarHBondContact O-N 2.92Å; G1057-G1060 WeakPolarHBondContact O-CA 3.21Å; G1057-G1060 PolarHBondContact O-N 3.08Å; E1058-G1060 PolarHBondContact O-N 3.44Å; G1060-L1062 VanDerWaalsContact C-N 3.25Å; G1060-L1062 PolarHBondContact O-N 3.5Å; G1060-F1063 PolarHBondContact O-N 3.12Å; G1060-F1063 VanDerWaalsContact O-N 3.09Å; G1060-T1064 PolarHBondContact O-N 3.04Å; G1060-T1064 PolarHBondContact O-OG1 3.16Å
1061K55Low54.8Low61 Ų6194.2 Ų94.227%0.26551%0.512SS..Hα-helixtrans-59.8-33.2177.3-61.4-175.5179.6-179.40112.7G1057 E1058 V1059 F1063 T1064 S1065 D1217G1057-K1061 PolarHBondContact O-N 3.38Å; E1058-K1061 WeakPolarHBondContact O-CB 3.15Å; E1058-K1061 PolarHBondContact O-N 2.7Å; E1058-K1061 VanDerWaalsContact O-N 3.09Å; V1059-K1061 PolarHBondContact O-N 3.13Å; K1061-F1063 VanDerWaalsContact C-N 3.31Å; K1061-F1063 PolarHBondContact O-N 3.43Å; K1061-T1064 PolarHBondContact O-OG1 3.09Å; K1061-S1065 WeakPolarHBondContact O-CB 3.44Å; K1061-S1065 PolarHBondContact O-N 3.42Å; K1061-S1065 PolarHBondContact O-OG 2.65Å; K1061-D1217 WeakPolarHBondContact CE-OD2 3.28Å; K1061-D1217 IonicContact NZ-OD2 3.58Å; K1061-D1217 PolarHBondContact NZ-OD2 3.49Å
1062L48.3Very low52.1Low122 Ų12295.9 Ų95.964%0.63952%0.524SS*.Hα-helixtrans-69.9-26.3178.1-64.1173.9000112.8V1059 G1060 S1065V1059-L1062 WeakPolarHBondContact O-CB 3.13Å; V1059-L1062 PolarHBondContact O-N 3.06Å; G1060-L1062 VanDerWaalsContact C-N 3.25Å; G1060-L1062 PolarHBondContact O-N 3.5Å; L1062-S1065 PolarHBondContact O-OG 3.27Å
1063F47.6Very low49.5Very low163 Ų163101.1 Ų101.172%0.71555%0.547SS*.Hα-helixtrans-89.3-31.9178.3-74.7-71.4000113.8V1059 G1060 K1061V1059-F1063 HydrophobicContact CG1-CD2 4.05Å; V1059-F1063 HydrophobicContact CG1-CE2 3.71Å; V1059-F1063 VanDerWaalsContact O-CD2 3.32Å; V1059-F1063 WeakPolarHBondContact O-CD2 3.46Å; V1059-F1063 PolarHBondContact O-N 3.39Å; G1060-F1063 PolarHBondContact O-N 3.12Å; G1060-F1063 VanDerWaalsContact O-N 3.09Å; K1061-F1063 VanDerWaalsContact C-N 3.31Å; K1061-F1063 PolarHBondContact O-N 3.43Å
1064T43.9Very low46.6Very low78 Ų78108.1 Ų108.148%0.47958%0.58SS.*Hα-helixtrans-70.4-39.5173.437.90000112.7G1060 K1061 C1066 G1067G1060-T1064 PolarHBondContact O-N 3.04Å; G1060-T1064 PolarHBondContact O-OG1 3.16Å; K1061-T1064 PolarHBondContact O-OG1 3.09Å; T1064-C1066 PolarHBondContact O-N 3.01Å; T1064-G1067 PolarHBondContact O-N 2.82Å; T1064-G1067 VanDerWaalsContact O-N 3.14Å
1065S39Very low43.9Very low95 Ų95109.6 Ų109.666%0.66459%0.592SS**THydrogen-bonded Turntrans-63.1-21.4-178.454.40000115.1K1061 L1062 G1067K1061-S1065 WeakPolarHBondContact O-CB 3.44Å; K1061-S1065 PolarHBondContact O-N 3.42Å; K1061-S1065 PolarHBondContact O-OG 2.65Å; L1062-S1065 PolarHBondContact O-OG 3.27Å; S1065-G1067 VanDerWaalsContact C-N 3.32Å
1066C31Very low41.5Very low115 Ų115110.4 Ų110.478%0.77760%0.6SS**THydrogen-bonded Turntrans-85.1-2.1179.1-151.90000113.5T1064T1064-C1066 PolarHBondContact O-N 3.01Å
1067G36.2Very low39.2Very low64 Ų64112.7 Ų112.766%0.6662%0.622SS**  trans-90.610.4-16500000118.3T1064 S1065T1064-G1067 PolarHBondContact O-N 2.82Å; T1064-G1067 VanDerWaalsContact O-N 3.14Å; S1065-G1067 VanDerWaalsContact C-N 3.32Å
1068R30.1Very low37.1Very low212 Ų212122.1 Ų122.180%0.867%0.666SS**  trans-131.9124.4178.9-84.7-171.4173.3169.7-1.6114.8
1069K29.7Very low35.1Very low209 Ų209121.3 Ų121.391%0.90967%0.673SS**  trans-134109150-77.3-171.8176.7179.60108
1070D30.8Very low33.5Very low127 Ų127122.6 Ų122.668%0.67969%0.685SS**  trans-71.1159.1175-55.7-61.1000111.3
1071P31.6Very low32Very low130 Ų130129.3 Ų129.384%0.84471%0.713SS**  trans-120.4125.7131.433.4-27.8000110.6
1072S28.5Very low30.5Very low99 Ų99132.8 Ų132.869%0.69274%0.744SS**  trans-99.5170.8170.7560000111.3
1073Q27.5Very low29.3Very low167 Ų167136.3 Ų136.378%0.7875%0.749SS**  trans72.1140.3-178.9-44.9-172.8-81.600114.2
1074E24.4Very low28.3Very low147 Ų147137.3 Ų137.369%0.68775%0.748SS**  cis-163.9174.5-13.2-118.1160.9-110.700107
1075T23.9Very low27.3Very low98 Ų98140.2 Ų140.260%0.60176%0.76SS**  cis-158.3157.419.3-9.80000111
1076N24Very low26.7Very low143 Ų143141.8 Ų141.877%0.76576%0.761SS**  trans62.1133.8144.8-67.1-21.4000124.6
1077S25Very low26.5Very low110 Ų110142 Ų14277%0.76976%0.758SS**  trans62.8108.1138.962.80000121.3
1078E22.9Very low26Very low201 Ų201145.3 Ų145.394%0.93976%0.76SS**  trans-90.5136.8151-64.6-169.2126.200111.2
1079S23.9Very low25.8Very low104 Ų104141.8 Ų141.873%0.72776%0.757SS**  trans-155.5114.3159.957.60000113.8
1080S23.9Very low25.6Very low99 Ų99140.5 Ų140.569%0.69275%0.751SS**  trans44.7119.8147.9620000122.1
1081L24.6Very low25.3Very low171 Ų171139.8 Ų139.890%0.89576%0.756SS**  trans63.4116.3134.5-64.6167.2000120.6
1082C22.9Very low24.9Very low134 Ų134139.3 Ų139.391%0.90575%0.751SS**  -155.8176.6116.6-145.50000112.6
1083R24.4Very low24.7Very low196 Ų196144 Ų14474%0.7476%0.762SS**  trans-158.8148.7-168.3-169.6-167.7-177.2179.64111.9
1084R25.4Very low24.5Very low185 Ų185143.2 Ų143.270%0.69876%0.763SS**  trans77.2160.8177.3-47.1-172.1173114.7-6.2113.6
1085D23.1Very low25.8Very low138 Ų138141.5 Ų141.574%0.73877%0.765SS**  cis-118.4166.214.3-73.9-55.9000112.1
1086L26.8Very low25.9Very low129 Ų129145 Ų14568%0.67578%0.779SS**  cis81.9130.730.2-68169.3000113.9
1087V27.5Very low25.9Very low119 Ų119144.7 Ų144.772%0.72178%0.777SS**  cis-148-168.74.9-143.10000111.4
1088D25.2Very low25.9Very low133 Ų133147.1 Ų147.171%0.71178%0.781SS**  trans80.7150.4148.9-72.7-8.4000123.1
1089L25.6Very low25.9Very low139 Ų139140.7 Ų140.773%0.72877%0.769SS**  cis-164.5144-30.3-161.466.3000113.5
1090K25Very low25.9Very low181 Ų181143.5 Ų143.579%0.78778%0.776SS**  trans6.7134.9161-61.9175.2175.8-179.40124
1091S24.5Very low25.9Very low112 Ų112143.7 Ų143.778%0.78377%0.772SS**  -166.9140.5116.152.70000109.1
1092T24.5Very low25.8Very low121 Ų121144.7 Ų144.774%0.74277%0.77SS**  cis83.5100.230.2630000117.2
1093Q24.6Very low25.9Very low196 Ų196145.6 Ų145.692%0.91676%0.764SS**  trans-170.9134.7130.9-110.7172.7-14.100113.7
1094D22.6Very low26.8Very low151 Ų151141.5 Ų141.581%0.80776%0.763SS**  trans-96.9-162.9159.7-32.6-91.2000108.9
1095P50.9Low26.8Very low111 Ų111136.9 Ų136.972%0.72176%0.764SS**  cis-128-174.9-29.632.7-13.6000111.8
1096L25.9Very low27Very low173 Ų173138.3 Ų138.391%0.90677%0.767SS**  171.3171.8123.1-93.8167.2000115.2
1097D25Very low27.3Very low135 Ų135138.8 Ų138.872%0.72277%0.769SS**  trans-107.7176-168.9-17010.4000112.3
1098L24.7Very low27.4Very low161 Ų161140.9 Ų140.984%0.84377%0.771SS**  trans68.8151-175-67.972.4000114.9
1099G23Very low27.3Very low66 Ų66141.5 Ų141.568%0.6877%0.774SS**  cis159169.2-2.500000111.1
1100D24.7Very low27.5Very low164 Ų164143.7 Ų143.788%0.87778%0.778SS**  trans65.2139170.8-89.21.1000117.5
1101V23.9Very low28.3Very low103 Ų103140.6 Ų140.662%0.62478%0.776SS**  cis-145.2137.51.5-175.40000109.6
1102F22.3Very low28.6Very low191 Ų191140.2 Ų140.284%0.83877%0.774SS**  173.9135.9121.7-102.4-72.4000114.6
1103I24.2Very low29.6Very low154 Ų154139.8 Ų139.879%0.7977%0.773SS**  trans-159.3151.4-166.3-67.4-179.1000106.1
1104P44.5Very low29.7Very low110 Ų110135.4 Ų135.471%0.71476%0.762SS**  cis-133.3-170-28.241.1-23000113.1
1105A23.7Very low29.9Very low88 Ų88136.4 Ų136.473%0.72776%0.762SS**  trans160.9136135.100000109.4
1106E29Very low28.6Very low168 Ų168138.6 Ų138.679%0.78577%0.768SS**  cis77.5131.636.7-69.9-165.5158.400115.2
1107L31.2Very low28.6Very low138 Ų138134.4 Ų134.472%0.72376%0.758SS**  cis-113.6-133.3-13.6-66.295.7000109.8
1108E29.7Very low28.5Very low164 Ų164136.5 Ų136.577%0.76676%0.761SS**  cis-164.2160.7-1.9-131.5155.6-120.800105.8
1109D24.6Very low28.5Very low145 Ų145136.1 Ų136.178%0.77576%0.755SS**  cis-149156.13-171.312.3000110.4
1110K28.5Very low28.5Very low186 Ų186140.2 Ų140.281%0.80976%0.756SS**  trans-170.1146.6167.4-144.9-177.1-173.4-177.70109.3
1111P41.8Very low28.5Very low116 Ų116138.7 Ų138.775%0.75375%0.748SS**  -149.8-176.6108.537-19.3000116.5
1112S30.7Very low28.5Very low104 Ų104140.1 Ų140.173%0.72776%0.757SS**  trans-89.4-154.1174.362.10000110.6
1113P46.9Very low28.5Very low111 Ų111136 Ų13672%0.72175%0.752SS**  cis-146175.52843.8-21.6000119.7
1114C24.9Very low28.5Very low104 Ų104136.9 Ų136.970%0.70375%0.753SS**  trans23.2145.9145.8-580000126.9
1115E27Very low27.6Very low172 Ų172139.6 Ų139.680%0.80476%0.756SS**  trans88.8115131.4-83.6161.8-135.100123.8
1116D25.3Very low27.7Very low157 Ų157142.1 Ų142.184%0.8476%0.756SS**  77.3138.6129-85.626.6000127
1117A24.8Very low27.6Very low85 Ų85138 Ų13870%0.70275%0.751SS**  trans83.3105.4145.600000122.7
1118K23.8Very low28.1Very low179 Ų179137 Ų13778%0.77875%0.753SS**  67.4119.3126.5-71.3-176.8171.3-174.20122.7
1119Q23.7Very low27.9Very low154 Ų154136.3 Ų136.372%0.7275%0.751SS**  73.2123.6126.4-66.2-177.2-92.700121.7
1120Q23.3Very low28.1Very low152 Ų152138.8 Ų138.871%0.7176%0.758SS**  112.8124.7125.2-157.2157.7600119.4
1121D23.9Very low28Very low131 Ų131136.3 Ų136.370%0.70175%0.754SS**  trans38.1142.1153.3-48-23.1000120.1
1122V23.9Very low27.2Very low133 Ų133138.2 Ų138.281%0.80676%0.756SS**  -157.8159.258162.50000112.1
1123S22.6Very low26.9Very low105 Ų105141.9 Ų141.973%0.73476%0.759SS**  trans-19.6166.6162.5-40.30000120
1124E24.6Very low25.9Very low173 Ų173142.7 Ų142.781%0.80876%0.756SS**  cis-143.8147.830-79-179.8154.900111.1
1125E26.6Very low25.9Very low166 Ų166145.6 Ų145.678%0.77676%0.759SS**  53143.191.7-54.8-152144.800116.5
1126L25Very low25.8Very low142 Ų142144.3 Ų144.374%0.74376%0.758SS**  cis-160.5179.90.7-148.775000111.9
1127A27.1Very low25.9Very low80 Ų80141.6 Ų141.666%0.66175%0.751SS**  trans83.6154.8138.700000121.4
1128P42.1Very low26.2Very low118 Ų118142.9 Ų142.977%0.76676%0.755SS**  cis-140.9169.3-33.137.5-20.4000117.3
1129M25.9Very low27.1Very low149 Ų149139.7 Ų139.773%0.73475%0.753SS**  trans-40.3162165.4-49.8156.165.300118.1
1130Q27.4Very low27.2Very low197 Ų197139.7 Ų139.792%0.92175%0.75SS**  -157109.5119.6-120.7166.175.400114.7
1131D26.1Very low27.3Very low135 Ų135139.3 Ų139.372%0.72275%0.749SS**  trans-98.1145162.9-69.1-67.3000110.8
1132I26.3Very low27.3Very low155 Ų155140.1 Ų140.180%0.79576%0.759SS**  trans-147.9106.3146.9-65.2-166.5000110.9
1133K24.2Very low27.5Very low181 Ų181136.8 Ų136.879%0.78775%0.751SS**  44.6150.1127.7-58.5-174.8168.7-172.70121.3
1134L25.6Very low27.8Very low128 Ų128138.7 Ų138.767%0.6776%0.759SS**  cis-164.2-174.1-4.5-111.2171.4000110
1135E25.9Very low27.9Very low165 Ų165135.8 Ų135.877%0.77176%0.758SS**  trans-29164.1167.1-58154.7149.200117.4
1136D24Very low28.1Very low146 Ų146133.7 Ų133.778%0.78176%0.761SS**  cis-16517230.7-165.410.2000113.2
1137S26.6Very low28.2Very low99 Ų99131.7 Ų131.769%0.69277%0.765SS**  trans77.8134.8145.7770000122.7
1138S31.7Very low28.2Very low112 Ų112136.2 Ų136.278%0.78377%0.774SS**  trans-98.9168.4148.9-62.50000108.1
1139P42.4Very low27.7Very low112 Ų112137.5 Ų137.573%0.72777%0.774SS**  cis-155.8-16531.943.5-20000118.1
1140K26.6Very low27.8Very low154 Ų154137.8 Ų137.867%0.6778%0.777SS**  trans75.7117.3145-88.4178.3165.3-79.30123.2
1141E25Very low27.8Very low144 Ų144132.8 Ų132.867%0.67376%0.764SS**  79.5140.6122.2-80.3164.3-155.600125.1
1142T24.5Very low28.2Very low149 Ų149132.7 Ų132.791%0.91476%0.764SS**  trans77.9143.1158.4550000122
1143G26.9Very low28.6Very low63 Ų63132.5 Ų132.565%0.64976%0.764SS**  trans126.360.6171.300000115.9
1144T28.8Very low29.2Very low145 Ų145131.3 Ų131.389%0.8976%0.761SS**  63.8132.698.160.80000117.7
1145S27.4Very low29.6Very low112 Ų112130.3 Ų130.378%0.78376%0.761SS**  trans-94.6166.3-171.5-41.20000116.4
1146S30.7Very low30Very low121 Ų121130 Ų13085%0.84676%0.757SS**  trans83.1109.1144.1-56.40000122.3
1147A26.9Very low30.5Very low100 Ų100128.6 Ų128.683%0.82675%0.749SS**  trans-169.6135138.800000107.4
1148M28Very low30.6Very low175 Ų175130.4 Ų130.486%0.86275%0.751SS**  cis99138.411.6-155.2-177.8-179.400116.6
1149L30.8Very low30.5Very low146 Ų146131.8 Ų131.876%0.76476%0.755SS**  trans80.7147.1176.7-47.3178.1000115.1
1150I29.1Very low30.1Very low154 Ų154131 Ų13179%0.7975%0.752SS**  cis-137.7-172.13.5-3.5175.6000108.2
1151S26.8Very low30.2Very low92 Ų92131 Ų13164%0.64376%0.757SS**  cis-150.5160.15.953.90000108.6
1152D34.4Very low30.4Very low134 Ų134128.8 Ų128.872%0.71776%0.757SS**  58.7134.775-25.4-48.3000114.6
1153D34.1Very low30.6Very low150 Ų150126.1 Ų126.180%0.80274%0.744SS**  cis-158.4-177.86.8-152.52.7000115.1
1154E37.7Very low30.6Very low157 Ų157132.8 Ų132.873%0.73475%0.751SS**  trans-28.3161.5170.6-72.4-159161.400120.8
1155T33.7Very low30.6Very low107 Ų107130.9 Ų130.966%0.65674%0.744SS**  cis-163-154.2-8.137.10000109.3
1156K33.3Very low30.7Very low159 Ų159131.8 Ų131.869%0.69174%0.744SS**  cis-163-161.711.2-139-175.5178.7-71.40114.2
1157D34.7Very low30.4Very low115 Ų115133.8 Ų133.862%0.61575%0.745SS**  trans-47.1171-176.3-28-49.6000118.6
1158D29.7Very low30.3Very low137 Ų137134.7 Ų134.773%0.73375%0.745SS**  cis-160.4154.24.9-150.3-20.2000112.4
1159T29.7Very low30.3Very low142 Ų142131 Ų13187%0.87174%0.743SS**  trans160.2144.4137.735.40000113.5
1160S34.6Very low29.9Very low96 Ų96127.7 Ų127.767%0.67174%0.743SS**  trans-118.2166.4-174.754.20000112
1161M28.7Very low29.8Very low154 Ų154125.5 Ų125.576%0.75974%0.742SS**  -179.3139.387.4-99.7-8883.200113.3
1162S28.1Very low29.7Very low96 Ų96129.1 Ų129.167%0.67175%0.748SS**  68.5146.9128.7-154.70000120.1
1163S29.1Very low29.4Very low94 Ų94129.8 Ų129.866%0.65775%0.747SS**  cis-178.7164.4-14.5-86.10000107
1164Y26.5Very low29.1Very low203 Ų203129 Ų12980%0.79674%0.742SS**  cis-153.9-177.1-4.4-145.9-113.6000108.9V1166Y1164-V1166 HydrophobicContact CD1-CG2 3.99Å
1165S29.5Very low28.6Very low105 Ų105128.1 Ų128.173%0.73474%0.742SS**  trans-142.1149.3162.457.80000111.8
1166V28Very low28.4Very low130 Ų130130 Ų13079%0.78874%0.744SS**  trans-142.5146.3-176.9-1740000110.3Y1164Y1164-V1166 HydrophobicContact CD1-CG2 3.99Å
1167L25.4Very low28.1Very low164 Ų164130 Ų13086%0.85974%0.744SS**  trans-111.9142.2-175.1-70165.5000113.2
1168S25.6Very low27.8Very low119 Ų119131.2 Ų131.283%0.83275%0.749SS**  trans30.8126.5143.4-165.80000121.7
1169A26.5Very low27.6Very low98 Ų98132.1 Ų132.181%0.8175%0.749SS**  -178.1119.3120.800000115.4
1170G23.2Very low27.5Very low76 Ų76131.6 Ų131.678%0.78475%0.75SS**  trans79.3153.3147.700000120.2
1171S26.1Very low27.2Very low107 Ų107135 Ų13575%0.74876%0.755SS**  cis-173.7139.4-9.652.30000112.8
1172H25.8Very low27.2Very low168 Ų168135.4 Ų135.478%0.77876%0.761SS**  trans65.9150.6160.8-79.7-115.6000117
1173E27.5Very low27.2Very low149 Ų149138.9 Ų138.970%0.69677%0.77SS**  cis-156.8176.53.2-150.2157.7-121.700112.2
1174L28.2Very low27.1Very low133 Ų133138.7 Ų138.770%0.69677%0.774SS**  trans82.5118162.5-61.5163000120.7
1175D27.4Very low27.3Very low139 Ų139137 Ų13774%0.74378%0.779SS**  trans54.4145.9130.9-55.9-12.8000121.8
1176E28.7Very low27.3Very low147 Ų147139.2 Ų139.269%0.68778%0.782SS**  cis-152.5-169.1-0.6-132.3-165.9146.500112.2
1177K27.9Very low27.5Very low159 Ų159139.1 Ų139.169%0.69178%0.782SS**  trans-37151.2175-55.5145.8-179.3150.50115.3
1178L27.5Very low27.6Very low139 Ų139137.7 Ų137.773%0.72878%0.78SS**  -16814074.3-84.6161.5000109.8
1179Q26.2Very low27.8Very low156 Ų156139.7 Ų139.773%0.72978%0.781SS**  49.7127.697.8-74.7-176.7-94.800117.1
1180C27.9Very low28Very low131 Ų131140.7 Ų140.789%0.88578%0.776SS**  trans-94136.8161.6-54.30000109.1
1181E28.5Very low28.1Very low167 Ų167143.5 Ų143.578%0.7878%0.782SS**  trans-139.7159.7162.4-73.5-172.1159.500108.3
1182D28.2Very low28.2Very low164 Ų164143.8 Ų143.888%0.87779%0.785SS**  trans-75.4160-166.8-50.8-83.5000114.1
1183I27.7Very low28.3Very low168 Ų168144 Ų14486%0.86279%0.791SS**  trans-121.9122.1166.9-62.5-179.4000107.7
1184A26.5Very low28.2Very low91 Ų91146.2 Ų146.275%0.75280%0.802SS**  trans-84.9169.5-176.700000113D1186A1184-D1186 PolarHBondContact O-N 2.85Å
1185D31.6Very low28.2Very low167 Ų167150.9 Ų150.989%0.89381%0.81SS**SBendtrans-61.4108.4173-63.7-68.3000112.3
1186D29.8Very low28.7Very low151 Ų151150.3 Ų150.381%0.80781%0.814SS**  trans-168.999.3143-128-18.5000112A1184A1184-D1186 PolarHBondContact O-N 2.85Å
1187T30.5Very low28.6Very low128 Ų128148.8 Ų148.879%0.78582%0.819SS**  trans-159.280.7158.8-14.30000114.3
1188V28.8Very low28.6Very low135 Ų135148.1 Ų148.182%0.81882%0.819SS**  trans-106.6114.9155.3178.50000108.1
1189L29.4Very low28.7Very low161 Ų161151 Ų15184%0.84382%0.82SS**  trans-122.4135.9175.5-82.1176.8000112.1
1190V30Very low28.8Very low119 Ų119150.2 Ų150.272%0.72182%0.816SS**  trans-95.9132.2-170.3172.20000110.8
1191C24.9Very low28.8Very low134 Ų134153.3 Ų153.391%0.90581%0.809SS**  trans-65.5133.4167.2-87.40000110.8
1192S28.9Very low28.8Very low114 Ų114156.9 Ų156.980%0.79782%0.815SS**  trans-107.1131.7-174.6-62.80000112.2
1193D27.3Very low28.8Very low171 Ų171152.7 Ų152.791%0.91481%0.812SS**PPolyproline II helixtrans-89.4147.8170.8-104-35000112.2
1194E26Very low28.8Very low196 Ų196152.7 Ų152.792%0.91681%0.811SS**PPolyproline II helixtrans-90.2141.7-179.4-75.3-151.9114.100115.3
1195R27.6Very low30Very low232 Ų232153 Ų15388%0.87581%0.806SS**PPolyproline II helixtrans-57.1167.8175-85.9177.8-175.6178.53.8114
1196P37.8Very low29.9Very low126 Ų126153 Ų15382%0.81881%0.806SS**  cis-150.4175.44142.2-20.9000120.2
1197S28.3Very low29.7Very low115 Ų115149.7 Ų149.780%0.80481%0.808SS**  trans-121.8154.3167.957.10000111.3
1198E27Very low29.4Very low145 Ų145147.4 Ų147.468%0.67881%0.809SS**  trans-111.9133.2167.7-79.6-141.7108.800111.4
1199R28.9Very low29.4Very low200 Ų200144.8 Ų144.876%0.75581%0.809SS**  trans52.5146.6136.9-58.4-176.9-159.7-172.710.7119.7
1200E29.4Very low29.4Very low140 Ų140145.3 Ų145.365%0.65481%0.812SS**  cis-154.6141.416.9-141.3175.6-172.300115.9
1201R28.5Very low29.9Very low196 Ų196145.1 Ų145.174%0.7481%0.813SS**  trans30.1125.9147-71.3171.8170.4166.5-5.5124
1202R27.3Very low30.3Very low241 Ų241148 Ų14891%0.90981%0.813SS**  78.9113129.7-72.1-179.2171-163.6-3.1120.9
1203G28.1Very low30.4Very low77 Ų77147.5 Ų147.579%0.79481%0.809SS**  trans-176.9122.2154.900000112.3
1204I28.3Very low30.8Very low167 Ų167146.6 Ų146.686%0.85681%0.81SS**  trans-150.1149.6-175.4-71179.9000106.4
1205P50.6Low31.1Very low99 Ų99141.5 Ų141.564%0.64380%0.796SS**  cis-129.6176.38.325.6-2.1000116.8
1206N29.8Very low31.9Very low166 Ų166137.8 Ų137.889%0.88879%0.792SS**  trans56.7135.5150.2-60.6-4000120.7
1207G26.4Very low32.3Very low82 Ų82135.9 Ų135.985%0.84578%0.775SS**  cis164.4148.4-6.900000112.5
1208G24.1Very low33.4Very low79 Ų79140 Ų14081%0.81478%0.778SS**  trans16491.3175.800000116.1
1209G29.6Very low34.8Very low80 Ų80137.9 Ų137.983%0.82577%0.772SS**  trans59.9122.2147.500000121.5
1210L28.3Very low37Very low173 Ų173128.9 Ų128.991%0.90674%0.738SS**  trans-148.1134.4150.3-101.1169.6000108.4
1211P41.1Very low39.4Very low114 Ų114123.9 Ų123.974%0.7472%0.721SS**  trans-93.4156.3-179.836.1-33.4000112.8
1212H32.3Very low42Very low196 Ų196114.6 Ų114.691%0.90769%0.686SS**  trans-77.4146.7162.4-72.2-81.7000110.5
1213S31.7Very low44.8Very low102 Ų102104.6 Ų104.671%0.71365%0.652SS**  trans-140.8108.1173.3173.40000109.6S1215S1213-S1215 PolarHBondContact O-N 3.19Å
1214T34.8Very low47.6Very low153 Ų153101 Ų10194%0.93961%0.614SS**  trans-82.484.9170.738.80000109.9
1215S32.8Very low50.4Low89 Ų8996.2 Ų96.262%0.62259%0.588SS**  trans-105.1121.2169.155.20000110S1213 D1217S1213-S1215 PolarHBondContact O-N 3.19Å; S1215-D1217 PolarHBondContact O-N 3.3Å
1216I45.3Very low52.1Low154 Ų15494 Ų9479%0.7957%0.569SS**  trans-59.6130.3173.2-62.9172.4000109K1218I1216-K1218 PolarHBondContact O-N 3.04Å
1217D46.2Very low54.9Low86 Ų8686.1 Ų86.146%0.4653%0.527SS..  trans-64.1122.4-170.9-109.7-14000111.7K1061 S1215K1061-D1217 WeakPolarHBondContact CE-OD2 3.28Å; K1061-D1217 IonicContact NZ-OD2 3.58Å; K1061-D1217 PolarHBondContact NZ-OD2 3.49Å; S1215-D1217 PolarHBondContact O-N 3.3Å
1218K50.2Low57.8Low200 Ų20083.4 Ų83.487%0.8749%0.493SS*.SBendtrans-85.9-8.3-177.5-67.3-172.7176.2-177.60114.5I1216I1216-K1218 PolarHBondContact O-N 3.04Å
1219D56.2Low60.8Low102 Ų10282.2 Ų82.255%0.54548%0.476SS..SBendtrans-104.9-1.1-168.2-64.5-40.3000114.6
1220W76.1Confident63.6Low10 Ų1078.6 Ų78.64%0.03844%0.437CS..  trans-91.3118.9173.7-167.996.7000110.4Q1019 F1022 L1054 I1222Q1019-W1220 VanDerWaalsContact CA-CE3 3.49Å; Q1019-W1220 VanDerWaalsContact CA-CZ3 3.49Å; Q1019-W1220 HydrophobicContact CB-CD2 4.25Å; Q1019-W1220 HydrophobicContact CB-CE3 3.72Å; Q1019-W1220 HydrophobicContact CB-CZ3 4.16Å; Q1019-W1220 HydrophobicContact CG-CD2 4.45Å; Q1019-W1220 HydrophobicContact CG-CE3 4.25Å; F1022-W1220 HydrophobicContact CB-CH2 3.67Å; F1022-W1220 HydrophobicContact CB-CZ3 3.76Å; F1022-W1220 AromaticContact CD1-CH2 3.44Å; F1022-W1220 HydrophobicContact CD1-CH2 3.44Å; F1022-W1220 VanDerWaalsContact CD1-CH2 3.44Å; F1022-W1220 HydrophobicContact CD1-CZ2 4.14Å; F1022-W1220 HydrophobicContact CD1-CZ3 4.34Å; F1022-W1220 HydrophobicContact CD2-CH2 4.37Å; F1022-W1220 HydrophobicContact CE1-CH2 4.11Å; F1022-W1220 HydrophobicContact CE1-CZ2 4.46Å; F1022-W1220 AromaticContact CG-CH2 3.57Å; F1022-W1220 HydrophobicContact CG-CH2 3.57Å; F1022-W1220 HydrophobicContact CG-CZ3 4.19Å; L1054-W1220 HydrophobicContact CD2-CZ2 4Å; W1220-I1222 HydrophobicContact CH2-CD1 3.27Å; W1220-I1222 HydrophobicContact CH2-CG1 3.71Å; W1220-I1222 HydrophobicContact CZ2-CD1 3.73Å; W1220-I1222 HydrophobicContact CZ2-CG1 4.09Å; W1220-I1222 HydrophobicContact CZ3-CD1 4.08Å; W1220-I1222 HydrophobicContact CZ3-CG1 4.13Å
1221A80.1Confident66.4Low35 Ų3570.5 Ų70.529%0.28940%0.395SS..  trans-159.8139.2175.300000113.3K1016 L1017K1016-A1221 HydrophobicContact CB-CB 3.75Å; K1016-A1221 HydrophobicContact CD-CB 3.83Å; K1016-A1221 HydrophobicContact CG-CB 4.48Å; L1017-A1221 CarbonylContact O-C 3.53Å; L1017-A1221 WeakPolarHBondContact O-CA 3.44Å
1222I83.4Confident68.7Low2 Ų269.4 Ų69.41%0.0138%0.383CS..BIsolated β-bridgetrans-101.4141.1-179.6-69.5172.7000110.8Y926 K1016 L1017 F1022 L1053 W1220 Q1226 F1227Y926-I1222 PolarHBondContact OH-O 2.98Å; K1016-I1222 CarbonylContact C-O 3.57Å; K1016-I1222 VanDerWaalsContact CA-O 3.24Å; K1016-I1222 WeakPolarHBondContact CA-O 3.13Å; K1016-I1222 VanDerWaalsContact CB-O 3.3Å; K1016-I1222 WeakPolarHBondContact CB-O 3.4Å; L1017-I1222 PolarHBondContact N-O 3.41Å; L1017-I1222 PolarHBondContact O-N 2.85Å; F1022-I1222 HydrophobicContact CD1-CD1 4.38Å; F1022-I1222 HydrophobicContact CD2-CD1 3.6Å; F1022-I1222 HydrophobicContact CE1-CD1 4.41Å; F1022-I1222 HydrophobicContact CE2-CD1 3.66Å; F1022-I1222 HydrophobicContact CG-CD1 3.96Å; F1022-I1222 HydrophobicContact CZ-CD1 4.06Å; L1053-I1222 HydrophobicContact CB-CD1 3.85Å; L1053-I1222 HydrophobicContact CD2-CD1 4.31Å; L1053-I1222 HydrophobicContact CD2-CG2 4.29Å; L1053-I1222 HydrophobicContact CG-CD1 4.45Å; W1220-I1222 HydrophobicContact CH2-CD1 3.27Å; W1220-I1222 HydrophobicContact CH2-CG1 3.71Å; W1220-I1222 HydrophobicContact CZ2-CD1 3.73Å; W1220-I1222 HydrophobicContact CZ2-CG1 4.09Å; W1220-I1222 HydrophobicContact CZ3-CD1 4.08Å; W1220-I1222 HydrophobicContact CZ3-CG1 4.13Å; I1222-Q1226 HydrophobicContact CG2-CB 4.16Å; I1222-F1227 HydrophobicContact CG2-CB 4.28Å
1223T86.5Confident71.3Confident31 Ų3164.4 Ų64.419%0.1937%0.366CS..  trans-93.9159.3168.9890000112.5K1016 E1225 Q1226 F1227K1016-T1223 HydrophobicContact CD-CG2 4.13Å; K1016-T1223 HydrophobicContact CG-CG2 4.22Å; T1223-E1225 VanDerWaalsContact C-N 3.27Å; T1223-E1225 WeakPolarHBondContact CB-OE2 3.41Å; T1223-E1225 PolarHBondContact O-N 2.82Å; T1223-E1225 PolarHBondContact OG1-N 3.33Å; T1223-E1225 PolarHBondContact OG1-OE2 3.16Å; T1223-Q1226 WeakPolarHBondContact O-CB 3.48Å; T1223-Q1226 PolarHBondContact O-N 3.44Å; T1223-Q1226 VanDerWaalsContact O-N 3.1Å; T1223-F1227 PolarHBondContact O-N 3.12Å; T1223-F1227 VanDerWaalsContact O-N 3.1Å
1224F86.9Confident74.2Confident1 Ų161.8 Ų61.80%0.00434%0.343CS..Hα-helixtrans-58.4-37.3176.6177.6-115.5000112.8T919 L922 K923 Y926 T1011 L1014 Q1226 F1227 L1228T919-F1224 HydrophobicContact CG2-CE1 4.11Å; T919-F1224 HydrophobicContact CG2-CZ 4.08Å; L922-F1224 HydrophobicContact CB-CE2 4.2Å; K923-F1224 VanDerWaalsContact CA-CE2 3.46Å; K923-F1224 HydrophobicContact CB-CE1 4.08Å; K923-F1224 HydrophobicContact CB-CE2 4Å; K923-F1224 HydrophobicContact CB-CZ 3.61Å; K923-F1224 HydrophobicContact CG-CE1 4.32Å; K923-F1224 HydrophobicContact CG-CZ 4.29Å; Y926-F1224 HydrophobicContact CD1-CB 4.11Å; Y926-F1224 HydrophobicContact CD1-CD2 4.13Å; Y926-F1224 HydrophobicContact CD1-CG 4.45Å; Y926-F1224 HydrophobicContact CD2-CB 4.24Å; Y926-F1224 AromaticContact CD2-CD2 3.88Å; Y926-F1224 HydrophobicContact CD2-CD2 3.88Å; Y926-F1224 HydrophobicContact CE1-CB 3.89Å; Y926-F1224 HydrophobicContact CE2-CB 4.01Å; Y926-F1224 HydrophobicContact CE2-CD2 4.47Å; Y926-F1224 HydrophobicContact CG-CB 4.29Å; Y926-F1224 AromaticContact CG-CD2 3.69Å; Y926-F1224 HydrophobicContact CG-CD2 3.69Å; Y926-F1224 HydrophobicContact CG-CG 4.4Å; Y926-F1224 PolarHBondContact OH-N 3.27Å; T1011-F1224 HydrophobicContact CG2-CD1 4.18Å; T1011-F1224 HydrophobicContact CG2-CE1 4.31Å; L1014-F1224 HydrophobicContact CD1-CB 3.55Å; L1014-F1224 HydrophobicContact CD1-CD1 3.72Å; L1014-F1224 HydrophobicContact CD1-CG 3.66Å; F1224-Q1226 VanDerWaalsContact C-N 3.3Å; F1224-Q1226 PolarHBondContact O-N 2.53Å; F1224-F1227 HydrophobicContact CD2-CD1 4.23Å; F1224-F1227 HydrophobicContact CE2-CD1 4.29Å; F1224-F1227 PolarHBondContact O-N 3.35Å; F1224-L1228 HydrophobicContact CE1-CB 4.5Å; F1224-L1228 HydrophobicContact CE1-CD2 3.99Å; F1224-L1228 HydrophobicContact CE2-CB 4.32Å; F1224-L1228 HydrophobicContact CZ-CB 4.19Å; F1224-L1228 HydrophobicContact CZ-CD1 4.36Å; F1224-L1228 HydrophobicContact CZ-CD2 4.08Å; F1224-L1228 HydrophobicContact CZ-CG 4.45Å; F1224-L1228 VanDerWaalsContact O-CB 3.23Å; F1224-L1228 WeakPolarHBondContact O-CB 3.49Å; F1224-L1228 PolarHBondContact O-N 2.95Å
1225E86.6Confident76.7Confident66 Ų6659.7 Ų59.731%0.30832%0.322SS..Hα-helixtrans-64.2-34.6176.7-59.587.8169.700112.8T1011 K1012 T1223 A1229T1011-E1225 WeakPolarHBondContact CB-OE1 3.29Å; T1011-E1225 PolarHBondContact OG1-OE1 2.63Å; K1012-E1225 PolarHBondContact N-OE1 2.66Å; T1223-E1225 VanDerWaalsContact C-N 3.27Å; T1223-E1225 WeakPolarHBondContact CB-OE2 3.41Å; T1223-E1225 PolarHBondContact O-N 2.82Å; T1223-E1225 PolarHBondContact OG1-N 3.33Å; T1223-E1225 PolarHBondContact OG1-OE2 3.16Å; E1225-A1229 WeakPolarHBondContact O-CB 3.44Å; E1225-A1229 PolarHBondContact O-N 3Å
1226Q86.4Confident79.3Confident52 Ų5256.2 Ų56.224%0.24330%0.299CS..Hα-helixtrans-68.4-49.7175.3-63.8175.7-67.300110.2L1053 M1056 I1222 T1223 F1224 L1228 A1229 S1230L1053-Q1226 HydrophobicContact CD2-CB 4.18Å; M1056-Q1226 HydrophobicContact CE-CB 3.99Å; M1056-Q1226 HydrophobicContact CE-CG 3.9Å; I1222-Q1226 HydrophobicContact CG2-CB 4.16Å; T1223-Q1226 WeakPolarHBondContact O-CB 3.48Å; T1223-Q1226 PolarHBondContact O-N 3.44Å; T1223-Q1226 VanDerWaalsContact O-N 3.1Å; F1224-Q1226 VanDerWaalsContact C-N 3.3Å; F1224-Q1226 PolarHBondContact O-N 2.53Å; Q1226-L1228 PolarHBondContact O-N 2.89Å; Q1226-A1229 PolarHBondContact O-N 3.24Å; Q1226-S1230 PolarHBondContact O-N 2.98Å; Q1226-S1230 PolarHBondContact O-OG 2.97Å
1227F88.2Confident81.3Confident2 Ų249 Ų491%0.00926%0.262CS..Hα-helixtrans-56.5-50176.6174.3-113.1000112.1L922 Y926 L1025 L1053 I1222 T1223 F1224 S1230 V1231L922-F1227 HydrophobicContact CB-CE1 4.22Å; L922-F1227 HydrophobicContact CD2-CE1 3.92Å; L922-F1227 HydrophobicContact CD2-CZ 4.09Å; Y926-F1227 HydrophobicContact CD2-CB 4.32Å; Y926-F1227 HydrophobicContact CD2-CD1 4.02Å; Y926-F1227 HydrophobicContact CD2-CG 4.33Å; Y926-F1227 HydrophobicContact CE2-CB 4.49Å; L1025-F1227 HydrophobicContact CD2-CD2 4.21Å; L1025-F1227 HydrophobicContact CD2-CE2 3.82Å; L1025-F1227 HydrophobicContact CD2-CZ 4.06Å; L1053-F1227 HydrophobicContact CD1-CD2 3.93Å; I1222-F1227 HydrophobicContact CG2-CB 4.28Å; T1223-F1227 PolarHBondContact O-N 3.12Å; T1223-F1227 VanDerWaalsContact O-N 3.1Å; F1224-F1227 HydrophobicContact CD2-CD1 4.23Å; F1224-F1227 HydrophobicContact CE2-CD1 4.29Å; F1224-F1227 PolarHBondContact O-N 3.35Å; F1227-S1230 PolarHBondContact O-N 2.83Å; F1227-V1231 HydrophobicContact CD2-CG2 4.12Å; F1227-V1231 HydrophobicContact CE1-CG2 4.44Å; F1227-V1231 HydrophobicContact CE2-CG2 3.73Å; F1227-V1231 HydrophobicContact CZ-CG2 3.91Å; F1227-V1231 WeakPolarHBondContact O-CG2 3.47Å; F1227-V1231 PolarHBondContact O-N 3.43Å
1228L87.9Confident83.3Confident24 Ų2445.5 Ų45.513%0.12624%0.243CC..Hα-helixtrans-60.6-46.2178.1-179.764.9000111.9T919 L922 F1224 Q1226 S1230 V1231 L1232T919-L1228 HydrophobicContact CG2-CD1 4.37Å; T919-L1228 HydrophobicContact CG2-CD2 3.78Å; L922-L1228 HydrophobicContact CB-CD1 4.45Å; L922-L1228 HydrophobicContact CD1-CD1 3.68Å; F1224-L1228 HydrophobicContact CE1-CB 4.5Å; F1224-L1228 HydrophobicContact CE1-CD2 3.99Å; F1224-L1228 HydrophobicContact CE2-CB 4.32Å; F1224-L1228 HydrophobicContact CZ-CB 4.19Å; F1224-L1228 HydrophobicContact CZ-CD1 4.36Å; F1224-L1228 HydrophobicContact CZ-CD2 4.08Å; F1224-L1228 HydrophobicContact CZ-CG 4.45Å; F1224-L1228 VanDerWaalsContact O-CB 3.23Å; F1224-L1228 WeakPolarHBondContact O-CB 3.49Å; F1224-L1228 PolarHBondContact O-N 2.95Å; Q1226-L1228 PolarHBondContact O-N 2.89Å; L1228-S1230 VanDerWaalsContact C-N 3.34Å; L1228-S1230 PolarHBondContact O-N 3.07Å; L1228-V1231 PolarHBondContact O-N 3Å; L1228-L1232 HydrophobicContact CD1-CD1 4.13Å; L1228-L1232 HydrophobicContact CD1-CG 4.36Å; L1228-L1232 HydrophobicContact CG-CD1 3.94Å; L1228-L1232 WeakPolarHBondContact O-CB 3.26Å; L1228-L1232 WeakPolarHBondContact O-CD1 3.3Å; L1228-L1232 WeakPolarHBondContact O-CG 3.34Å; L1228-L1232 PolarHBondContact O-N 3.47Å
1229A85.9Confident85Confident55 Ų5543.5 Ų43.546%0.45523%0.23SC..Hα-helixtrans-63.2-38.2179.300000112.6E1225 Q1226E1225-A1229 WeakPolarHBondContact O-CB 3.44Å; E1225-A1229 PolarHBondContact O-N 3Å; Q1226-A1229 PolarHBondContact O-N 3.24Å
1230S88.1Confident86.5Confident3 Ų339.9 Ų39.92%0.02121%0.209CC..Hα-helixtrans-71.7-42175.8-61.60000112.4V1049 L1053 Q1226 F1227 L1228 L1232 T1233V1049-S1230 WeakPolarHBondContact CG2-O 3.44Å; L1053-S1230 WeakPolarHBondContact CD2-OG 3.42Å; Q1226-S1230 PolarHBondContact O-N 2.98Å; Q1226-S1230 PolarHBondContact O-OG 2.97Å; F1227-S1230 PolarHBondContact O-N 2.83Å; L1228-S1230 VanDerWaalsContact C-N 3.34Å; L1228-S1230 PolarHBondContact O-N 3.07Å; S1230-L1232 PolarHBondContact O-N 3.31Å; S1230-T1233 PolarHBondContact O-N 2.92Å; S1230-T1233 VanDerWaalsContact O-N 3.15Å; S1230-T1233 PolarHBondContact O-OG1 3.16Å
1231V88.2Confident87.1Confident3 Ų339.6 Ų39.62%0.01821%0.208CC..Hα-helixtrans-62.1-35.6174.8174.40000111.3L922 V1049 F1227 L1228 T1233 E1234 L1237L922-V1231 HydrophobicContact CD1-CB 4.13Å; L922-V1231 HydrophobicContact CD1-CG1 3.7Å; L922-V1231 HydrophobicContact CD2-CG1 4.13Å; V1049-V1231 HydrophobicContact CG1-CG2 4.07Å; F1227-V1231 HydrophobicContact CD2-CG2 4.12Å; F1227-V1231 HydrophobicContact CE1-CG2 4.44Å; F1227-V1231 HydrophobicContact CE2-CG2 3.73Å; F1227-V1231 HydrophobicContact CZ-CG2 3.91Å; F1227-V1231 WeakPolarHBondContact O-CG2 3.47Å; F1227-V1231 PolarHBondContact O-N 3.43Å; L1228-V1231 PolarHBondContact O-N 3Å; V1231-T1233 PolarHBondContact O-N 3.18Å; V1231-E1234 PolarHBondContact O-N 2.96Å; V1231-E1234 VanDerWaalsContact O-N 3.16Å; V1231-L1237 HydrophobicContact CG1-CB 4Å; V1231-L1237 HydrophobicContact CG1-CD1 4.45Å
1232L88.5Confident87.4Confident92 Ų9243.4 Ų43.448%0.48222%0.22SC..THydrogen-bonded Turntrans-68-12.3176.8-75169.2000114.9L918 L1228 S1230 V1238L918-L1232 HydrophobicContact CD2-CD2 3.66Å; L1228-L1232 HydrophobicContact CD1-CD1 4.13Å; L1228-L1232 HydrophobicContact CD1-CG 4.36Å; L1228-L1232 HydrophobicContact CG-CD1 3.94Å; L1228-L1232 WeakPolarHBondContact O-CB 3.26Å; L1228-L1232 WeakPolarHBondContact O-CD1 3.3Å; L1228-L1232 WeakPolarHBondContact O-CG 3.34Å; L1228-L1232 PolarHBondContact O-N 3.47Å; S1230-L1232 PolarHBondContact O-N 3.31Å; L1232-V1238 HydrophobicContact CD2-CG2 4.37Å
1233T88.4Confident87.4Confident91 Ų9148.4 Ų48.456%0.55824%0.242SC*.THydrogen-bonded Turntrans-81-20.1171.2600000113.1S1230 V1231S1230-T1233 PolarHBondContact O-N 2.92Å; S1230-T1233 VanDerWaalsContact O-N 3.15Å; S1230-T1233 PolarHBondContact O-OG1 3.16Å; V1231-T1233 PolarHBondContact O-N 3.18Å
1234E91.1Very high87.1Confident47 Ų4752.5 Ų52.522%0.2227%0.269CS..  trans-105.8101.9-173.6-76.7-60.416200112.8A1045 T1048 V1049 V1231 A1236 L1237 V1238A1045-E1234 HydrophobicContact CB-CB 3.94Å; A1045-E1234 HydrophobicContact CB-CG 4.06Å; T1048-E1234 VanDerWaalsContact CB-OE1 3.28Å; T1048-E1234 WeakPolarHBondContact CB-OE1 3.41Å; T1048-E1234 VanDerWaalsContact CG2-OE1 3.27Å; T1048-E1234 WeakPolarHBondContact CG2-OE1 3.32Å; T1048-E1234 PolarHBondContact OG1-OE1 2.98Å; V1049-E1234 HydrophobicContact CG2-CB 4.14Å; V1049-E1234 HydrophobicContact CG2-CG 3.75Å; V1231-E1234 PolarHBondContact O-N 2.96Å; V1231-E1234 VanDerWaalsContact O-N 3.16Å; E1234-A1236 PolarHBondContact O-N 3.44Å; E1234-A1236 VanDerWaalsContact O-N 3.09Å; E1234-L1237 HydrophobicContact CB-CD1 4.12Å; E1234-L1237 HydrophobicContact CB-CG 4.46Å; E1234-L1237 PolarHBondContact O-N 3.36Å; E1234-L1237 VanDerWaalsContact O-N 3.14Å; E1234-V1238 PolarHBondContact O-N 2.97Å
1235Q87.9Confident86.9Confident108 Ų10853.9 Ų53.951%0.50528%0.277SS..Hα-helixtrans-60.8-25.3-172.4-172.162.989.600114R1239Q1235-R1239 WeakPolarHBondContact O-CB 3.31Å; Q1235-R1239 VanDerWaalsContact O-CG 3.25Å; Q1235-R1239 WeakPolarHBondContact O-CG 3.46Å; Q1235-R1239 PolarHBondContact O-N 3.31Å
1236A86.9Confident86.7Confident16 Ų1655.6 Ų55.613%0.13229%0.289CS..Hα-helixtrans-68-47.6176.100000112E1041 L1042 A1045 E1234 R1239 Y1240E1041-A1236 HydrophobicContact CB-CB 4.47Å; L1042-A1236 HydrophobicContact CD2-CB 4.17Å; A1045-A1236 HydrophobicContact CB-CB 4.06Å; E1234-A1236 PolarHBondContact O-N 3.44Å; E1234-A1236 VanDerWaalsContact O-N 3.09Å; A1236-R1239 PolarHBondContact O-N 2.63Å; A1236-Y1240 PolarHBondContact O-N 2.65Å
1237L87.4Confident86.6Confident3 Ų353.6 Ų53.62%0.01628%0.28CS..Hα-helixtrans-65.1-42.8177.2-65.6171000111F1033 L1042 A1045 V1049 V1231 E1234 R1239 Y1240 F1241F1033-L1237 HydrophobicContact CE1-CD2 4.48Å; F1033-L1237 HydrophobicContact CE2-CD2 3.55Å; F1033-L1237 HydrophobicContact CZ-CD2 3.46Å; F1033-L1237 VanDerWaalsContact CZ-CD2 3.46Å; L1042-L1237 HydrophobicContact CD2-CD2 4.23Å; A1045-L1237 HydrophobicContact CB-CD1 4.09Å; A1045-L1237 HydrophobicContact CB-CG 3.85Å; V1049-L1237 HydrophobicContact CB-CD1 4.42Å; V1049-L1237 HydrophobicContact CG2-CD1 3.72Å; V1231-L1237 HydrophobicContact CG1-CB 4Å; V1231-L1237 HydrophobicContact CG1-CD1 4.45Å; E1234-L1237 HydrophobicContact CB-CD1 4.12Å; E1234-L1237 HydrophobicContact CB-CG 4.46Å; E1234-L1237 PolarHBondContact O-N 3.36Å; E1234-L1237 VanDerWaalsContact O-N 3.14Å; L1237-R1239 PolarHBondContact O-N 2.83Å; L1237-Y1240 PolarHBondContact O-N 3.17Å; L1237-F1241 VanDerWaalsContact O-CD2 3.3Å; L1237-F1241 WeakPolarHBondContact O-CD2 3.41Å; L1237-F1241 PolarHBondContact O-N 3.43Å
1238V88.2Confident86.3Confident12 Ų1256 Ų567%0.07330%0.3CS..Hα-helixtrans-53-52.1173.2171.80000110.6L918 L1232 E1234 Y1240 F1241 E1242L918-V1238 HydrophobicContact CD2-CG1 4.03Å; L918-V1238 HydrophobicContact CD2-CG2 4.3Å; L1232-V1238 HydrophobicContact CD2-CG2 4.37Å; E1234-V1238 PolarHBondContact O-N 2.97Å; V1238-Y1240 VanDerWaalsContact C-N 3.34Å; V1238-Y1240 PolarHBondContact O-N 3.06Å; V1238-F1241 PolarHBondContact O-N 3.41Å; V1238-E1242 HydrophobicContact CG1-CG 4.3Å; V1238-E1242 WeakPolarHBondContact CG1-OE2 3.5Å; V1238-E1242 VanDerWaalsContact O-CB 3.31Å; V1238-E1242 WeakPolarHBondContact O-CB 3.44Å; V1238-E1242 VanDerWaalsContact O-CG 3.3Å; V1238-E1242 WeakPolarHBondContact O-CG 3.33Å; V1238-E1242 PolarHBondContact O-N 3.09Å
1239R87.1Confident86.1Confident158 Ų15856 Ų5660%0.59630%0.304SS*.Hα-helixtrans-60.9-37.7178.4-75.3169.9-175.7165.63.4113.5Q1235 A1236 L1237 K1243Q1235-R1239 WeakPolarHBondContact O-CB 3.31Å; Q1235-R1239 VanDerWaalsContact O-CG 3.25Å; Q1235-R1239 WeakPolarHBondContact O-CG 3.46Å; Q1235-R1239 PolarHBondContact O-N 3.31Å; A1236-R1239 PolarHBondContact O-N 2.63Å; L1237-R1239 PolarHBondContact O-N 2.83Å; R1239-K1243 PolarHBondContact O-N 2.93Å; R1239-K1243 VanDerWaalsContact O-N 3.12Å
1240Y87.3Confident86Confident27 Ų2755.1 Ų55.111%0.10629%0.294CS..Hα-helixtrans-66.1-47.1178.4179.2-81000111.5M1032 F1033 L1042 A1236 L1237 V1238 K1243M1032-Y1240 HydrophobicContact CE-CE1 4.3Å; M1032-Y1240 PolarHBondContact O-OH 3.03Å; F1033-Y1240 HydrophobicContact CD1-CD1 4.23Å; F1033-Y1240 AromaticContact CD1-CD2 3.89Å; F1033-Y1240 HydrophobicContact CD1-CD2 3.89Å; F1033-Y1240 AromaticContact CD1-CE1 3.98Å; F1033-Y1240 HydrophobicContact CD1-CE1 3.98Å; F1033-Y1240 AromaticContact CD1-CE2 3.59Å; F1033-Y1240 HydrophobicContact CD1-CE2 3.59Å; F1033-Y1240 HydrophobicContact CD1-CG 4.19Å; F1033-Y1240 AromaticContact CD1-CZ 3.63Å; F1033-Y1240 AromaticContact CE1-CD1 3.59Å; F1033-Y1240 HydrophobicContact CE1-CD1 3.59Å; F1033-Y1240 HydrophobicContact CE1-CD2 4.04Å; F1033-Y1240 AromaticContact CE1-CE1 3.55Å; F1033-Y1240 HydrophobicContact CE1-CE1 3.55Å; F1033-Y1240 AromaticContact CE1-CE2 3.98Å; F1033-Y1240 HydrophobicContact CE1-CE2 3.98Å; F1033-Y1240 AromaticContact CE1-CG 3.85Å; F1033-Y1240 HydrophobicContact CE1-CG 3.85Å; F1033-Y1240 AromaticContact CE1-CZ 3.73Å; L1042-Y1240 HydrophobicContact CD1-CD2 3.71Å; L1042-Y1240 HydrophobicContact CD1-CE2 4.3Å; L1042-Y1240 HydrophobicContact CD1-CG 4.45Å; L1042-Y1240 HydrophobicContact CD2-CD2 4.4Å; L1042-Y1240 HydrophobicContact CD2-CG 4.36Å; A1236-Y1240 PolarHBondContact O-N 2.65Å; L1237-Y1240 PolarHBondContact O-N 3.17Å; V1238-Y1240 VanDerWaalsContact C-N 3.34Å; V1238-Y1240 PolarHBondContact O-N 3.06Å; Y1240-K1243 WeakPolarHBondContact O-CB 3.22Å; Y1240-K1243 PolarHBondContact O-N 2.78Å
1241F87.4Confident85.8Confident4 Ų455.3 Ų55.32%0.01829%0.294CS..Hα-helixtrans-75.4-28.7-179.3-73.2-70.9000113W876 L918 K921 L922 L925 L1029 M1032 F1033 L1237 V1238 K1243W876-F1241 AromaticContact CE2-CE1 3.97Å; W876-F1241 HydrophobicContact CH2-CE1 4.31Å; W876-F1241 AromaticContact CZ2-CD1 3.84Å; W876-F1241 HydrophobicContact CZ2-CD1 3.84Å; W876-F1241 AromaticContact CZ2-CE1 3.6Å; W876-F1241 HydrophobicContact CZ2-CE1 3.6Å; L918-F1241 HydrophobicContact CD1-CB 3.39Å; L918-F1241 HydrophobicContact CD1-CG 4.31Å; K921-F1241 VanDerWaalsContact CD-O 3.28Å; K921-F1241 WeakPolarHBondContact CD-O 3.24Å; K921-F1241 WeakPolarHBondContact CE-O 3.37Å; K921-F1241 PolarHBondContact NZ-O 3.04Å; L922-F1241 HydrophobicContact CD2-CD2 3.9Å; L922-F1241 HydrophobicContact CD2-CE1 4.43Å; L922-F1241 HydrophobicContact CD2-CE2 3.8Å; L922-F1241 HydrophobicContact CD2-CG 4.29Å; L922-F1241 HydrophobicContact CD2-CZ 4.08Å; L925-F1241 HydrophobicContact CD2-CE1 4.28Å; L925-F1241 HydrophobicContact CD2-CZ 3.96Å; L1029-F1241 HydrophobicContact CD2-CE2 4.35Å; L1029-F1241 HydrophobicContact CD2-CZ 3.94Å; M1032-F1241 HydrophobicContact CE-CE1 3.94Å; M1032-F1241 HydrophobicContact CE-CZ 4.07Å; F1033-F1241 HydrophobicContact CZ-CE2 4.33Å; F1033-F1241 HydrophobicContact CZ-CZ 4.46Å; L1237-F1241 VanDerWaalsContact O-CD2 3.3Å; L1237-F1241 WeakPolarHBondContact O-CD2 3.41Å; L1237-F1241 PolarHBondContact O-N 3.43Å; V1238-F1241 PolarHBondContact O-N 3.41Å; F1241-K1243 VanDerWaalsContact C-N 3.3Å
1242E87.5Confident85.6Confident115 Ų11558.4 Ų58.454%0.53731%0.314SS..Hα-helixtrans-75-13171.2-70.9-178.4158.100113.9L918 V1238L918-E1242 HydrophobicContact CB-CG 4.21Å; L918-E1242 HydrophobicContact CD2-CG 4.32Å; V1238-E1242 HydrophobicContact CG1-CG 4.3Å; V1238-E1242 WeakPolarHBondContact CG1-OE2 3.5Å; V1238-E1242 VanDerWaalsContact O-CB 3.31Å; V1238-E1242 WeakPolarHBondContact O-CB 3.44Å; V1238-E1242 VanDerWaalsContact O-CG 3.3Å; V1238-E1242 WeakPolarHBondContact O-CG 3.33Å; V1238-E1242 PolarHBondContact O-N 3.09Å
1243K84.2Confident85.3Confident106 Ų10657.4 Ų57.446%0.46131%0.309SS..PPolyproline II helixtrans-54.6122.7178.1-165.3175.4-179-179.80110D1036 R1239 Y1240 F1241D1036-K1243 IonicContact OD2-NZ 3.31Å; D1036-K1243 PolarHBondContact OD2-NZ 3.22Å; R1239-K1243 PolarHBondContact O-N 2.93Å; R1239-K1243 VanDerWaalsContact O-N 3.12Å; Y1240-K1243 WeakPolarHBondContact O-CB 3.22Å; Y1240-K1243 PolarHBondContact O-N 2.78Å; F1241-K1243 VanDerWaalsContact C-N 3.3Å
1244P78.8Confident85Confident117 Ų11753.1 Ų53.176%0.7628%0.282SS*.PPolyproline II helixtrans-70.3143.2177.228.9-34.1000110.5
1245V82.8Confident84.4Confident30 Ų3053.2 Ų53.218%0.18228%0.282CS..PPolyproline II helixtrans-95.7124.3179.9-178.10000109.3P875 C914 V1247P875-V1245 HydrophobicContact CB-CG2 4.48Å; P875-V1245 HydrophobicContact CG-CB 4.36Å; P875-V1245 HydrophobicContact CG-CG1 3.71Å; P875-V1245 HydrophobicContact CG-CG2 3.64Å; C914-V1245 HydrophobicContact CB-CB 4.46Å; V1245-V1247 PolarHBondContact O-N 3.3Å
1246D82.9Confident83.8Confident102 Ų10251.6 Ų51.655%0.54528%0.277SS..  trans-78.688.5170.3-173-17.5000110A1248 A1249 C1250D1246-A1248 PolarHBondContact O-N 3.41Å; D1246-A1248 WeakPolarHBondContact OD1-CB 3.31Å; D1246-A1248 PolarHBondContact OD1-N 3.14Å; D1246-A1248 VanDerWaalsContact OD1-N 3.1Å; D1246-A1249 HydrophobicContact CB-CB 3.86Å; D1246-A1249 VanDerWaalsContact CG-CB 3.41Å; D1246-A1249 PolarHBondContact O-N 2.88Å; D1246-A1249 PolarHBondContact OD1-N 3.09Å; D1246-C1250 PolarHBondContact O-N 3.49Å; D1246-C1250 PolarHBondContact O-SG 3.05Å; D1246-C1250 VanDerWaalsContact O-SG 3.41Å
1247V83.4Confident83Confident10 Ų1052.2 Ų52.26%0.06128%0.279CS..Hα-helixtrans-56.9-38.3178.4-179.80000111.3F817 E821 C914 V1245 C1250 I1251F817-V1247 HydrophobicContact CD1-CG1 4.09Å; F817-V1247 HydrophobicContact CE1-CG1 3.84Å; F817-V1247 HydrophobicContact CE1-CG2 3.94Å; E821-V1247 HydrophobicContact CG-CG1 4.3Å; C914-V1247 HydrophobicContact CB-CG2 3.9Å; V1245-V1247 PolarHBondContact O-N 3.3Å; V1247-C1250 PolarHBondContact O-N 2.87Å; V1247-I1251 HydrophobicContact CG1-CD1 3.79Å; V1247-I1251 HydrophobicContact CG1-CG1 4.42Å; V1247-I1251 WeakPolarHBondContact O-CB 3.1Å; V1247-I1251 VanDerWaalsContact O-CG1 3.27Å; V1247-I1251 WeakPolarHBondContact O-CG1 3.15Å; V1247-I1251 PolarHBondContact O-N 3.36Å
1248A82.7Confident82Confident53 Ų5355.3 Ų55.344%0.43829%0.291SS..Hα-helixtrans-69.3-37.6-179.700000112D1246 T1252D1246-A1248 PolarHBondContact O-N 3.41Å; D1246-A1248 WeakPolarHBondContact OD1-CB 3.31Å; D1246-A1248 PolarHBondContact OD1-N 3.14Å; D1246-A1248 VanDerWaalsContact OD1-N 3.1Å; A1248-T1252 VanDerWaalsContact O-CB 3.26Å; A1248-T1252 WeakPolarHBondContact O-CB 3.49Å; A1248-T1252 PolarHBondContact O-N 2.98Å; A1248-T1252 PolarHBondContact O-OG1 3.48Å
1249A83.3Confident80.7Confident24 Ų2461.9 Ų61.920%0.19832%0.318CS..Hα-helixtrans-64.7-46.717100000111.7D1246 I1251 T1252 N1253D1246-A1249 HydrophobicContact CB-CB 3.86Å; D1246-A1249 VanDerWaalsContact CG-CB 3.41Å; D1246-A1249 PolarHBondContact O-N 2.88Å; D1246-A1249 PolarHBondContact OD1-N 3.09Å; A1249-I1251 PolarHBondContact O-N 3.26Å; A1249-T1252 PolarHBondContact O-N 3.03Å; A1249-T1252 VanDerWaalsContact O-N 3.13Å; A1249-N1253 PolarHBondContact O-N 3.25Å
1250C83.8Confident79Confident36 Ų3658.3 Ų58.324%0.24331%0.314CS..Hα-helixtrans-57.8-49.4176.6-68.40000112.2L873 D1246 V1247 T1252 N1253 A1254L873-C1250 HydrophobicContact CD2-CB 4.41Å; D1246-C1250 PolarHBondContact O-N 3.49Å; D1246-C1250 PolarHBondContact O-SG 3.05Å; D1246-C1250 VanDerWaalsContact O-SG 3.41Å; V1247-C1250 PolarHBondContact O-N 2.87Å; C1250-T1252 VanDerWaalsContact C-N 3.28Å; C1250-T1252 PolarHBondContact O-N 3.39Å; C1250-N1253 PolarHBondContact O-N 2.98Å; C1250-A1254 WeakPolarHBondContact O-CB 3.44Å; C1250-A1254 PolarHBondContact O-N 2.71Å
1251I85.3Confident77.1Confident7 Ų758.4 Ų58.44%0.03632%0.323CS..Hα-helixtrans-58.3-41.1174.9-70.6168.4000111E821 E824 L825 L828 L873 V1247 A1249 K1255E821-I1251 HydrophobicContact CB-CD1 4.38Å; E821-I1251 HydrophobicContact CG-CD1 4.45Å; E824-I1251 HydrophobicContact CB-CG2 4.06Å; L825-I1251 HydrophobicContact CD1-CD1 4.31Å; L825-I1251 HydrophobicContact CD2-CD1 3.99Å; L825-I1251 HydrophobicContact CD2-CG1 3.78Å; L825-I1251 HydrophobicContact CG-CD1 3.77Å; L825-I1251 HydrophobicContact CG-CG1 4.13Å; L828-I1251 HydrophobicContact CD1-CB 4.42Å; L828-I1251 HydrophobicContact CD1-CG1 4.37Å; L828-I1251 HydrophobicContact CD1-CG2 4.12Å; L873-I1251 HydrophobicContact CD2-CG1 4.41Å; V1247-I1251 HydrophobicContact CG1-CD1 3.79Å; V1247-I1251 HydrophobicContact CG1-CG1 4.42Å; V1247-I1251 WeakPolarHBondContact O-CB 3.1Å; V1247-I1251 VanDerWaalsContact O-CG1 3.27Å; V1247-I1251 WeakPolarHBondContact O-CG1 3.15Å; V1247-I1251 PolarHBondContact O-N 3.36Å; A1249-I1251 PolarHBondContact O-N 3.26Å; I1251-K1255 HydrophobicContact CG2-CD 4.03Å; I1251-K1255 WeakPolarHBondContact O-CB 3.42Å; I1251-K1255 WeakPolarHBondContact O-CD 3.34Å; I1251-K1255 WeakPolarHBondContact O-CG 3.45Å; I1251-K1255 VanDerWaalsContact O-CG 3.24Å; I1251-K1255 PolarHBondContact O-N 3.38Å
1252T83.8Confident74.9Confident69 Ų6967.2 Ų67.242%0.42336%0.356SS..Hα-helixtrans-67.7-40.5179.6-62.70000112.1A1248 A1249 C1250 K1255 N1256A1248-T1252 VanDerWaalsContact O-CB 3.26Å; A1248-T1252 WeakPolarHBondContact O-CB 3.49Å; A1248-T1252 PolarHBondContact O-N 2.98Å; A1248-T1252 PolarHBondContact O-OG1 3.48Å; A1249-T1252 PolarHBondContact O-N 3.03Å; A1249-T1252 VanDerWaalsContact O-N 3.13Å; C1250-T1252 VanDerWaalsContact C-N 3.28Å; C1250-T1252 PolarHBondContact O-N 3.39Å; T1252-K1255 PolarHBondContact O-N 2.78Å; T1252-N1256 WeakPolarHBondContact O-CB 3.49Å; T1252-N1256 PolarHBondContact O-N 2.91Å; T1252-N1256 PolarHBondContact O-ND2 3.43Å
1253N82.1Confident72.2Confident70 Ų7064.1 Ų64.137%0.37435%0.346SS..Hα-helixtrans-63.1-51.5174.7-170.518000111.2A1249 C1250 K1255 N1256 V1257A1249-N1253 PolarHBondContact O-N 3.25Å; C1250-N1253 PolarHBondContact O-N 2.98Å; N1253-K1255 VanDerWaalsContact C-N 3.27Å; N1253-K1255 PolarHBondContact O-N 3.03Å; N1253-N1256 WeakPolarHBondContact O-CA 3.37Å; N1253-N1256 PolarHBondContact O-N 3.13Å; N1253-V1257 PolarHBondContact O-N 2.97Å
1254A81.9Confident69.6Low1 Ų167.4 Ų67.41%0.00837%0.368CS..Hα-helixtrans-54.8-41.1177.100000112.7L828 L872 L873 C1250 R1258L828-A1254 HydrophobicContact CD1-CB 3.89Å; L828-A1254 HydrophobicContact CD2-CB 4.28Å; L872-A1254 HydrophobicContact CB-CB 3.98Å; L873-A1254 HydrophobicContact CD2-CB 3.89Å; L873-A1254 HydrophobicContact CG-CB 4.38Å; C1250-A1254 WeakPolarHBondContact O-CB 3.44Å; C1250-A1254 PolarHBondContact O-N 2.71Å; A1254-R1258 WeakPolarHBondContact O-CG 3.41Å; A1254-R1258 PolarHBondContact O-N 3.42Å
1255K78.5Confident67.1Low50 Ų5067.7 Ų67.722%0.21736%0.362CS..Hα-helixtrans-63.1-38.6172.5-75.6167.6173.9175.70112.9E824 L828 I1251 T1252 N1253 K1259E824-K1255 IonicContact OE1-NZ 3.32Å; E824-K1255 PolarHBondContact OE1-NZ 2.71Å; E824-K1255 WeakPolarHBondContact OE2-CE 3.34Å; E824-K1255 IonicContact OE2-NZ 2.7Å; E824-K1255 PolarHBondContact OE2-NZ 3.38Å; L828-K1255 HydrophobicContact CD2-CG 4.07Å; I1251-K1255 HydrophobicContact CG2-CD 4.03Å; I1251-K1255 WeakPolarHBondContact O-CB 3.42Å; I1251-K1255 WeakPolarHBondContact O-CD 3.34Å; I1251-K1255 WeakPolarHBondContact O-CG 3.45Å; I1251-K1255 VanDerWaalsContact O-CG 3.24Å; I1251-K1255 PolarHBondContact O-N 3.38Å; T1252-K1255 PolarHBondContact O-N 2.78Å; N1253-K1255 VanDerWaalsContact C-N 3.27Å; N1253-K1255 PolarHBondContact O-N 3.03Å; K1255-K1259 WeakPolarHBondContact O-CD 3.24Å; K1255-K1259 VanDerWaalsContact O-CG 3.23Å; K1255-K1259 WeakPolarHBondContact O-CG 3.44Å; K1255-K1259 PolarHBondContact O-N 3.33Å; K1255-K1259 VanDerWaalsContact O-N 3.13Å
1256N74.1Confident64.5Low74 Ų7469.1 Ų69.140%0.39637%0.374SS..Hα-helixtrans-75.5-44.4-176.4-71.9-17.9000112.2T1252 N1253 R1258 K1259 V1260T1252-N1256 WeakPolarHBondContact O-CB 3.49Å; T1252-N1256 PolarHBondContact O-N 2.91Å; T1252-N1256 PolarHBondContact O-ND2 3.43Å; N1253-N1256 WeakPolarHBondContact O-CA 3.37Å; N1253-N1256 PolarHBondContact O-N 3.13Å; N1256-R1258 VanDerWaalsContact C-N 3.26Å; N1256-R1258 PolarHBondContact O-N 3.24Å; N1256-K1259 VanDerWaalsContact O-N 3.08Å; N1256-K1259 PolarHBondContact O-N 3.18Å; N1256-V1260 PolarHBondContact O-N 3.18Å; N1256-V1260 VanDerWaalsContact O-N 3.13Å
1257V71.9Confident62.1Low28 Ų2867.7 Ų67.717%0.1737%0.369CS..Hα-helixtrans-54.9-44.1173.9176.90000110.8L872 N1253 G1261L872-V1257 HydrophobicContact CD2-CB 4.17Å; L872-V1257 HydrophobicContact CD2-CG1 4.09Å; L872-V1257 HydrophobicContact CD2-CG2 4.21Å; N1253-V1257 PolarHBondContact O-N 2.97Å; V1257-G1261 PolarHBondContact O-N 3.39Å
1258R66.4Low59.6Low69 Ų6971.1 Ų71.126%0.2639%0.393SS..Hα-helixtrans-67.1-35.4176-73.8-177.3176169.54.8114.3L828 E832 L869 A1254 N1256L828-R1258 VanDerWaalsContact CD2-NH1 3.29Å; L828-R1258 PolarHBondContact O-NH1 3.08Å; L828-R1258 PolarHBondContact O-NH2 2.59Å; E832-R1258 VanDerWaalsContact CD-NH2 3.31Å; E832-R1258 IonicContact OE1-CZ 3.41Å; E832-R1258 VanDerWaalsContact OE1-CZ 3.23Å; E832-R1258 IonicContact OE1-NE 2.7Å; E832-R1258 PolarHBondContact OE1-NE 3.12Å; E832-R1258 VanDerWaalsContact OE1-NE 3.12Å; E832-R1258 IonicContact OE1-NH2 3.21Å; E832-R1258 PolarHBondContact OE1-NH2 3.07Å; L869-R1258 VanDerWaalsContact CD2-NH2 3.32Å; A1254-R1258 WeakPolarHBondContact O-CG 3.41Å; A1254-R1258 PolarHBondContact O-N 3.42Å; N1256-R1258 VanDerWaalsContact C-N 3.26Å; N1256-R1258 PolarHBondContact O-N 3.24Å
1259K60.5Low57.1Low150 Ų15072.7 Ų72.765%0.65239%0.394SS*.Hα-helixtrans-68.6-33.4177.6-77.1166.2-170.1165.90113.4K1255 N1256K1255-K1259 WeakPolarHBondContact O-CD 3.24Å; K1255-K1259 VanDerWaalsContact O-CG 3.23Å; K1255-K1259 WeakPolarHBondContact O-CG 3.44Å; K1255-K1259 PolarHBondContact O-N 3.33Å; K1255-K1259 VanDerWaalsContact O-N 3.13Å; N1256-K1259 VanDerWaalsContact O-N 3.08Å; N1256-K1259 PolarHBondContact O-N 3.18Å
1260V50.8Low54.7Low83 Ų8378 Ų7850%0.50341%0.41SS..Hα-helixtrans-79.6-35.8-179177.90000111.3K195 N1256 P1263K195-V1260 PolarHBondContact NZ-O 2.91Å; N1256-V1260 PolarHBondContact O-N 3.18Å; N1256-V1260 VanDerWaalsContact O-N 3.13Å; V1260-P1263 HydrophobicContact CG1-CG 4.02Å
1261G48.1Very low52.2Low29 Ų2984 Ų8430%0.29944%0.435SS..  trans90.2101-174.300000110.4V1257 P1263V1257-G1261 PolarHBondContact O-N 3.39Å; G1261-P1263 VanDerWaalsContact O-CD 3.23Å; G1261-P1263 WeakPolarHBondContact O-CD 3.37Å
1262R39.4Very low49.6Very low188 Ų18889.6 Ų89.671%0.70946%0.463SS*.  trans-12.196-166.7-73.8-168.8179.9-162.91.6116.4
1263P31.6Very low46.9Very low51 Ų5191.3 Ų91.333%0.33148%0.478SS..  trans-89.2146.4134.228.2-13.7000109.5V1260 G1261 L1265V1260-P1263 HydrophobicContact CG1-CG 4.02Å; G1261-P1263 VanDerWaalsContact O-CD 3.23Å; G1261-P1263 WeakPolarHBondContact O-CD 3.37Å; P1263-L1265 HydrophobicContact CG-CG 4.37Å
1264L28.9Very low44.4Very low175 Ų17595.2 Ų95.292%0.91650%0.498SS*.  trans-73.8128.4153.6-78.983.2000106.7
1265L26.3Very low41.8Very low123 Ų123100 Ų10064%0.64453%0.532SS*.  trans-114.5136.1169.1-70.9170.1000107.3P1263P1263-L1265 HydrophobicContact CG-CG 4.37Å
1266S28.7Very low39.5Very low60 Ų60104.8 Ų104.842%0.4260%0.595SS.*  trans-72.3150.2175.9167.40000110.1S1268 D1269S1266-S1268 PolarHBondContact OG-OG 3.09Å; S1266-S1268 PolarHBondContact OG-N 2.88Å; S1266-S1268 PolarHBondContact O-N 2.88Å; S1266-S1268 WeakPolarHBondContact CB-OG 3.33Å; S1266-D1269 PolarHBondContact O-N 3.36Å
1267T33.1Very low37.7Very low72 Ų72106.4 Ų106.444%0.44261%0.605SS.*G310 helixtrans-45.4-30.3166.847.10000113.7E1035 D1269 Y1270E1035-T1267 WeakPolarHBondContact OE2-CB 3.4Å; E1035-T1267 WeakPolarHBondContact OE2-CG2 3.45Å; E1035-T1267 PolarHBondContact OE2-OG1 2.92Å; T1267-D1269 VanDerWaalsContact C-N 3.28Å; T1267-D1269 PolarHBondContact O-N 3.33Å; T1267-Y1270 WeakPolarHBondContact O-CB 3.45Å; T1267-Y1270 PolarHBondContact O-N 3.36Å
1268S30.7Very low35.9Very low82 Ų82110.5 Ų110.557%0.57363%0.628SS**G310 helixtrans-61.5-21.2-178.152.30000116.3S1266 Y1270S1266-S1268 PolarHBondContact OG-OG 3.09Å; S1266-S1268 PolarHBondContact OG-N 2.88Å; S1266-S1268 PolarHBondContact O-N 2.88Å; S1266-S1268 WeakPolarHBondContact CB-OG 3.33Å; S1268-Y1270 VanDerWaalsContact C-N 3.26Å; S1268-Y1270 PolarHBondContact O-N 3.21Å
1269D30.1Very low34.2Very low86 Ų86112.8 Ų112.846%0.4665%0.648SS.*G310 helixtrans-75.5-10.7176.4-83.4-38.5000113.6S1266 T1267S1266-D1269 PolarHBondContact O-N 3.36Å; T1267-D1269 VanDerWaalsContact C-N 3.28Å; T1267-D1269 PolarHBondContact O-N 3.33Å
1270Y33.6Very low32.7Very low135 Ų135110.6 Ų110.653%0.52965%0.648SS.*THydrogen-bonded Turntrans-73.6-33.7-169.2-137.1-93.6000113.9T1267 S1268T1267-Y1270 WeakPolarHBondContact O-CB 3.45Å; T1267-Y1270 PolarHBondContact O-N 3.36Å; S1268-Y1270 VanDerWaalsContact C-N 3.26Å; S1268-Y1270 PolarHBondContact O-N 3.21Å
1271E31.1Very low31.6Very low163 Ų163112.3 Ų112.376%0.76266%0.657SS**THydrogen-bonded Turntrans-73.1-31.1-177.7-63.5-159.1136.800113.3S1273 L1274E1271-S1273 PolarHBondContact O-N 3.11Å; E1271-L1274 PolarHBondContact O-N 3.36Å
1272I30.7Very low30.5Very low123 Ų123117.9 Ų117.963%0.63168%0.681SS**G310 helixtrans-66.7-28.1-176-59.1175.8000111.2L1274I1272-L1274 VanDerWaalsContact C-N 3.32Å; I1272-L1274 PolarHBondContact O-N 2.85Å
1273S27.1Very low29.8Very low105 Ų105112.9 Ų112.973%0.73468%0.679SS**G310 helixtrans-81.4-2.6-175.1-61.90000115.1E1271E1271-S1273 PolarHBondContact O-N 3.11Å
1274L29.8Very low29.7Very low152 Ų152117.6 Ų117.680%0.79671%0.706SS**G310 helixtrans-101.78.5178.5-80.2165.8000114E1271 I1272E1271-L1274 PolarHBondContact O-N 3.36Å; I1272-L1274 VanDerWaalsContact C-N 3.32Å; I1272-L1274 PolarHBondContact O-N 2.85Å
1275S27.1Very low29.8Very low103 Ų103112.8 Ų112.872%0.7269%0.688SS**  trans-127.858179.456.40000113.3
1276G28.9Very low30.1Very low150 Ų150111.9 Ų111.9100%1.54669%0.692SS**  trans-150.30176.900000114

Retrieved 1,276 of 1,276 residues in 1185.6 ms (Link to these results)

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