A0A3Q0KBH5_SCHMA Loading...

E3 ubiquitin-protein ligase ZSWIM2

AlphaFold DB , UniProt , Accession A0A3Q0KBH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 549 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
1M34Very low52.6Low232 Ų232133.3 Ų133.3100%1.14365%0.654SS**  0136.70-72.2160.3169.100107.6
2S35.4Very low55.6Low112 Ų112126.3 Ų126.378%0.78363%0.627SS**  trans-89.7109.1174.4-175.20000108.6Y4S2-Y4 PolarHBondContact O-N 2.58Å; S2-Y4 VanDerWaalsContact O-N 3.09Å
3N43Very low58.2Low140 Ų140123.7 Ų123.775%0.74962%0.616SS**  trans-81.489.4177.6-756.4000108.8I5N3-I5 PolarHBondContact O-N 2.98Å
4Y40.6Very low60.6Low213 Ų213117.9 Ų117.984%0.83559%0.588SS**  trans-61.9105.6176-150.3-90.7000109.2S2 S6S2-Y4 PolarHBondContact O-N 2.58Å; S2-Y4 VanDerWaalsContact O-N 3.09Å; Y4-S6 PolarHBondContact O-N 3.37Å
5I50Low62.6Low51 Ų51110.3 Ų110.326%0.26255%0.55SS.*  trans-70.8102.6-178.2-58.5-179.4000108.1N3 H7 I9N3-I5 PolarHBondContact O-N 2.98Å; I5-H7 PolarHBondContact O-N 3.02Å; I5-I9 HydrophobicContact CG2-CD1 4.17Å
6S43.9Very low64.5Low74 Ų74110.2 Ų110.252%0.51754%0.542SS..  trans-65.9123.7179.9-178.70000110.9Y4 Q8Y4-S6 PolarHBondContact O-N 3.37Å; S6-Q8 PolarHBondContact O-N 3.33Å
7H50.2Low66.2Low126 Ų126109.6 Ų109.658%0.58353%0.532SS*.THydrogen-bonded Turntrans-70.523.4-177.4-62.5-71.1000114.7I5 E99I5-H7 PolarHBondContact O-N 3.02Å; H7-E99 IonicContact CE1-OE1 2.94Å
8Q52.2Low67.8Low176 Ų176104.6 Ų104.682%0.82251%0.508SS*.THydrogen-bonded Turntrans-123.222.4178.7-65.7-168.8-700113.9S6 K10S6-Q8 PolarHBondContact O-N 3.33Å; Q8-K10 PolarHBondContact O-N 3.28Å
9I62.7Low69.1Low74 Ų7499.4 Ų99.438%0.37948%0.483SS..  trans-66.6114.8172.4-64167.4000109.6I5 W91I5-I9 HydrophobicContact CG2-CD1 4.17Å; I9-W91 PolarHBondContact O-NE1 3.28Å
10K79.1Confident70.3Confident190 Ų19099.4 Ų99.483%0.82648%0.482SS*.  trans-61135.9170-68.8-176.6177.9-179.30110Q8 P12Q8-K10 PolarHBondContact O-N 3.28Å; K10-P12 WeakPolarHBondContact O-CD 3.5Å
11R87.4Confident71.4Confident78 Ų7899.8 Ų99.829%0.29448%0.483SS..  trans-54.6114.2176.4-177.9171.759.7-163.4-3.5110.7R16 P85 N86 W91R11-R16 HydrophobicContact CG-CB 4.49Å; R11-P85 PolarHBondContact NH1-O 3.24Å; R11-N86 PolarHBondContact NH1-OD1 3.22Å; R11-W91 HydrophobicContact CB-CD2 3.58Å; R11-W91 HydrophobicContact CB-CE3 3.92Å; R11-W91 HydrophobicContact CB-CG 3.86Å; R11-W91 HydrophobicContact CB-CH2 4.47Å; R11-W91 HydrophobicContact CB-CZ2 4.16Å; R11-W91 HydrophobicContact CB-CZ3 4.35Å; R11-W91 HydrophobicContact CG-CB 4.05Å; R11-W91 HydrophobicContact CG-CD2 3.83Å; R11-W91 HydrophobicContact CG-CE3 3.9Å; R11-W91 HydrophobicContact CG-CG 3.93Å
12P88.6Confident74.2Confident50 Ų5088.7 Ų88.733%0.32543%0.428SS..  trans-68.3144.8179-19.632.9000111.9K10 I14 V15 R16K10-P12 WeakPolarHBondContact O-CD 3.5Å; P12-I14 VanDerWaalsContact C-N 3.26Å; P12-I14 HydrophobicContact CB-CG2 4.14Å; P12-I14 PolarHBondContact O-N 3.22Å; P12-V15 HydrophobicContact CB-CG2 4.12Å; P12-V15 HydrophobicContact CG-CG2 4.1Å; P12-V15 WeakPolarHBondContact O-CA 3.38Å; P12-V15 WeakPolarHBondContact O-CB 3.31Å; P12-V15 PolarHBondContact O-N 2.95Å; P12-R16 PolarHBondContact O-N 3.21Å
13D89.7Confident76.7Confident92 Ų9291.2 Ų91.249%0.49242%0.421SS..Hα-helixtrans-66.7-23.5-175.9-75.5-58.2000114.8R16 R17D13-R16 IonicContact OD1-CZ 2.76Å; D13-R16 VanDerWaalsContact OD1-CZ 3.24Å; D13-R16 IonicContact OD1-NE 3.63Å; D13-R16 PolarHBondContact OD1-NE 3.45Å; D13-R16 IonicContact OD1-NH2 3.61Å; D13-R16 PolarHBondContact OD1-NH2 3.24Å; D13-R17 WeakPolarHBondContact O-CG 3.33Å; D13-R17 PolarHBondContact O-N 2.75Å; D13-R17 VanDerWaalsContact O-N 3.15Å; D13-R17 PolarHBondContact O-NE 3.1Å; D13-R17 VanDerWaalsContact O-NE 3.11Å
14I91.1Very high78.8Confident42 Ų4289 Ų8922%0.21542%0.416CS..Hα-helixtrans-69.7-39.1168.9-177.559.3000111.4P12 R17 N18 E68P12-I14 VanDerWaalsContact C-N 3.26Å; P12-I14 HydrophobicContact CB-CG2 4.14Å; P12-I14 PolarHBondContact O-N 3.22Å; I14-R17 PolarHBondContact O-N 2.92Å; I14-N18 WeakPolarHBondContact O-CB 3.17Å; I14-N18 PolarHBondContact O-N 3.12Å; I14-N18 PolarHBondContact O-ND2 2.89Å; I14-N18 PolarHBondContact O-OD1 2.8Å; I14-E68 VanDerWaalsContact CG2-OE1 3.27Å; I14-E68 WeakPolarHBondContact CG2-OE1 3.38Å
15V91.9Very high81.1Confident5 Ų580 Ų803%0.0339%0.385CS..Hα-helixtrans-68.3-43.1174.9-176.10000110P12 R17 N18 Q19 L69 W91P12-V15 HydrophobicContact CB-CG2 4.12Å; P12-V15 HydrophobicContact CG-CG2 4.1Å; P12-V15 WeakPolarHBondContact O-CA 3.38Å; P12-V15 WeakPolarHBondContact O-CB 3.31Å; P12-V15 PolarHBondContact O-N 2.95Å; V15-R17 PolarHBondContact O-N 2.68Å; V15-N18 CarbonylContact O-C 3.5Å; V15-N18 PolarHBondContact O-N 3.21Å; V15-N18 VanDerWaalsContact O-N 3.12Å; V15-Q19 HydrophobicContact CG1-CG 4.2Å; V15-Q19 WeakPolarHBondContact O-CB 3.38Å; V15-Q19 VanDerWaalsContact O-CG 3.26Å; V15-Q19 WeakPolarHBondContact O-CG 3.38Å; V15-Q19 PolarHBondContact O-N 3.03Å; V15-L69 HydrophobicContact CG1-CB 4.07Å; V15-L69 HydrophobicContact CG1-CD2 4.4Å; V15-L69 HydrophobicContact CG2-CB 4.06Å; V15-W91 HydrophobicContact CB-CB 4.48Å; V15-W91 HydrophobicContact CG1-CB 3.71Å
16R92.2Very high82.9Confident108 Ų10879.7 Ų79.741%0.40839%0.386SS..Hα-helixtrans-52.2-50.1173.5176.6162.667.5113.5-12.4112.3R11 P12 D13 Q19 E20R11-R16 HydrophobicContact CG-CB 4.49Å; P12-R16 PolarHBondContact O-N 3.21Å; D13-R16 IonicContact OD1-CZ 2.76Å; D13-R16 VanDerWaalsContact OD1-CZ 3.24Å; D13-R16 IonicContact OD1-NE 3.63Å; D13-R16 PolarHBondContact OD1-NE 3.45Å; D13-R16 IonicContact OD1-NH2 3.61Å; D13-R16 PolarHBondContact OD1-NH2 3.24Å; R16-Q19 WeakPolarHBondContact O-CB 3.03Å; R16-Q19 PolarHBondContact O-N 3.31Å; R16-E20 VanDerWaalsContact CG-OE1 3.3Å; R16-E20 WeakPolarHBondContact CG-OE1 3.36Å; R16-E20 WeakPolarHBondContact O-CG 3.24Å; R16-E20 PolarHBondContact O-N 3.11Å
17R92.9Very high85.3Confident100 Ų10076.6 Ų76.638%0.37736%0.364SS..Hα-helixtrans-64.3-40.8175.8-72.6177.6-70.3142.9-14.3112.9D13 I14 V15 Q19 E20 E21D13-R17 WeakPolarHBondContact O-CG 3.33Å; D13-R17 PolarHBondContact O-N 2.75Å; D13-R17 VanDerWaalsContact O-N 3.15Å; D13-R17 PolarHBondContact O-NE 3.1Å; D13-R17 VanDerWaalsContact O-NE 3.11Å; I14-R17 PolarHBondContact O-N 2.92Å; V15-R17 PolarHBondContact O-N 2.68Å; R17-Q19 VanDerWaalsContact C-N 3.28Å; R17-Q19 PolarHBondContact O-N 3.13Å; R17-E20 PolarHBondContact O-N 3.06Å; R17-E21 PolarHBondContact O-N 3.14Å
18N94.7Very high87.2Confident20 Ų2072.1 Ų72.111%0.10734%0.342CS..Hα-helixtrans-66.4-29.1176.4-67.2-14.5000112.6I14 V15 A22 L69 V71 C74I14-N18 WeakPolarHBondContact O-CB 3.17Å; I14-N18 PolarHBondContact O-N 3.12Å; I14-N18 PolarHBondContact O-ND2 2.89Å; I14-N18 PolarHBondContact O-OD1 2.8Å; V15-N18 CarbonylContact O-C 3.5Å; V15-N18 PolarHBondContact O-N 3.21Å; V15-N18 VanDerWaalsContact O-N 3.12Å; N18-A22 WeakPolarHBondContact O-CB 3.44Å; N18-A22 PolarHBondContact O-N 3.28Å; N18-L69 PolarHBondContact ND2-O 2.88Å; N18-V71 HydrophobicContact CB-CG2 4.11Å; N18-C74 WeakPolarHBondContact O-CB 3.41Å
19Q93.7Very high89.1Confident5 Ų564.6 Ų64.62%0.02331%0.307CS..Hα-helixtrans-71.2-40.3171.4-70.6-179.5-20.700111.9V15 R16 R17 A22 R23 C74 I78 P85 S90V15-Q19 HydrophobicContact CG1-CG 4.2Å; V15-Q19 WeakPolarHBondContact O-CB 3.38Å; V15-Q19 VanDerWaalsContact O-CG 3.26Å; V15-Q19 WeakPolarHBondContact O-CG 3.38Å; V15-Q19 PolarHBondContact O-N 3.03Å; R16-Q19 WeakPolarHBondContact O-CB 3.03Å; R16-Q19 PolarHBondContact O-N 3.31Å; R17-Q19 VanDerWaalsContact C-N 3.28Å; R17-Q19 PolarHBondContact O-N 3.13Å; Q19-A22 PolarHBondContact O-N 3Å; Q19-R23 WeakPolarHBondContact O-CG 3.48Å; Q19-R23 PolarHBondContact O-N 3.09Å; Q19-R23 VanDerWaalsContact O-N 3.16Å; Q19-C74 HydrophobicContact CG-CB 4.08Å; Q19-I78 HydrophobicContact CB-CD1 3.52Å; Q19-I78 HydrophobicContact CG-CD1 3.5Å; Q19-I78 VanDerWaalsContact CG-CD1 3.5Å; Q19-P85 PolarHBondContact OE1-O 3.21Å; Q19-S90 PolarHBondContact NE2-O 2.93Å; Q19-S90 PolarHBondContact NE2-OG 3.24Å
20E92.4Very high90.4Very high99 Ų9961.1 Ų61.146%0.46329%0.289SS..Hα-helixtrans-63.6-47.6174.7-70.8159-167.600111.4R16 R17 A22 R23R16-E20 VanDerWaalsContact CG-OE1 3.3Å; R16-E20 WeakPolarHBondContact CG-OE1 3.36Å; R16-E20 WeakPolarHBondContact O-CG 3.24Å; R16-E20 PolarHBondContact O-N 3.11Å; R17-E20 PolarHBondContact O-N 3.06Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 3.4Å; E20-R23 PolarHBondContact O-N 3.31Å
21E93.1Very high90.9Very high108 Ų10855.8 Ų55.851%0.50527%0.266SS..Hα-helixtrans-62.1-40.1174.1-167.6-174.9143.900111.8R17 R23 S24 A25 V71R17-E21 PolarHBondContact O-N 3.14Å; E21-R23 PolarHBondContact O-N 3.33Å; E21-S24 PolarHBondContact O-N 3.13Å; E21-S24 PolarHBondContact O-OG 2.98Å; E21-S24 VanDerWaalsContact O-OG 3.12Å; E21-A25 WeakPolarHBondContact O-CB 3.45Å; E21-A25 PolarHBondContact O-N 3.21Å; E21-V71 HydrophobicContact CB-CG1 4.16Å; E21-V71 HydrophobicContact CB-CG2 4.21Å; E21-V71 HydrophobicContact CG-CG1 4Å; E21-V71 HydrophobicContact CG-CG2 4.24Å; E21-V71 WeakPolarHBondContact OE2-CG2 3.42Å
22A93Very high91Very high0 Ų054.1 Ų54.10%026%0.262CS..Hα-helixtrans-62.7-27.6176.900000113.8N18 Q19 E20 V71 C74 W75 R79N18-A22 WeakPolarHBondContact O-CB 3.44Å; N18-A22 PolarHBondContact O-N 3.28Å; Q19-A22 PolarHBondContact O-N 3Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 3.4Å; A22-V71 HydrophobicContact CB-CG1 4.22Å; A22-C74 HydrophobicContact CB-CB 3.72Å; A22-W75 HydrophobicContact CB-CB 3.94Å; A22-W75 VanDerWaalsContact O-CD1 3.23Å; A22-R79 WeakPolarHBondContact O-CG 3.28Å; A22-R79 PolarHBondContact O-NE 3.39Å
23R88.2Confident91Very high165 Ų16554 Ų5462%0.62326%0.255SS*.Hα-helixtrans-69-35.6176.1-73.2172.170.3-175.32.4112.1Q19 E20 E21 I78 R79Q19-R23 WeakPolarHBondContact O-CG 3.48Å; Q19-R23 PolarHBondContact O-N 3.09Å; Q19-R23 VanDerWaalsContact O-N 3.16Å; E20-R23 PolarHBondContact O-N 3.31Å; E21-R23 PolarHBondContact O-N 3.33Å; R23-I78 HydrophobicContact CG-CG2 4.01Å; R23-R79 PolarHBondContact O-NE 3.35Å
24S86.6Confident90.9Very high94 Ų9449.6 Ų49.666%0.65723%0.232SC*.Hα-helixtrans-92.1-26.118059.70000113.8E21 T26E21-S24 PolarHBondContact O-N 3.13Å; E21-S24 PolarHBondContact O-OG 2.98Å; E21-S24 VanDerWaalsContact O-OG 3.12Å; S24-T26 PolarHBondContact O-N 3.34Å
25A90Very high90.9Very high22 Ų2249.7 Ų49.718%0.18224%0.235CC..  trans-64.4127.3-178.900000113.3E21 W75 R79E21-A25 WeakPolarHBondContact O-CB 3.45Å; E21-A25 PolarHBondContact O-N 3.21Å; A25-W75 PolarHBondContact O-NE1 3.21Å; A25-R79 PolarHBondContact O-NH2 2.9Å
26T88.1Confident90.9Very high45 Ų4550 Ų5028%0.27624%0.236SC..  trans-92.8101.6167.5-57.80000109.8S24 Y28 C149 E151S24-T26 PolarHBondContact O-N 3.34Å; T26-Y28 HydrophobicContact CG2-CE1 4.42Å; T26-Y28 HydrophobicContact CG2-CE2 4.18Å; T26-C149 HydrophobicContact CG2-CB 4.28Å; T26-E151 WeakPolarHBondContact CB-OE1 3.43Å; T26-E151 WeakPolarHBondContact CG2-OE1 3.29Å; T26-E151 PolarHBondContact OG1-OE1 3.16Å
27L92.6Very high91.1Very high9 Ų946.1 Ų46.15%0.04722%0.223CC..  trans-102.3159.9168.8-52.8177.9000110.4L40 Q41 D42 W75 C149L27-L40 HydrophobicContact CD1-CD1 3.9Å; L27-Q41 WeakPolarHBondContact CA-O 3.34Å; L27-D42 HydrophobicContact CD2-CB 3.88Å; L27-W75 HydrophobicContact CB-CD2 4.03Å; L27-W75 HydrophobicContact CB-CE3 4.3Å; L27-W75 HydrophobicContact CB-CH2 3.93Å; L27-W75 HydrophobicContact CB-CZ2 3.67Å; L27-W75 HydrophobicContact CB-CZ3 4.24Å; L27-W75 HydrophobicContact CD1-CB 4.02Å; L27-W75 HydrophobicContact CD1-CD2 3.76Å; L27-W75 HydrophobicContact CD1-CE3 4.13Å; L27-W75 HydrophobicContact CD1-CG 3.69Å; L27-W75 HydrophobicContact CG-CD2 4.14Å; L27-W75 HydrophobicContact CG-CG 4.23Å; L27-W75 VanDerWaalsContact O-CZ2 3.3Å; L27-W75 WeakPolarHBondContact O-CZ2 3.46Å; L27-C149 WeakPolarHBondContact O-CA 3.25Å
28Y90.7Very high91.2Very high33 Ų3341.4 Ų41.413%0.12921%0.205CC..EExtended strand (participates in β ladder)trans-120.5121.7-178.7-57-93.6000110.2T26 L30 L40 Q41 I148 C149 V179T26-Y28 HydrophobicContact CG2-CE1 4.42Å; T26-Y28 HydrophobicContact CG2-CE2 4.18Å; Y28-L30 PolarHBondContact O-N 3.03Å; Y28-L40 CarbonylContact O-C 3.53Å; Y28-L40 WeakPolarHBondContact O-CA 3.46Å; Y28-Q41 PolarHBondContact N-O 3.03Å; Y28-Q41 PolarHBondContact O-N 2.83Å; Y28-I148 CarbonylContact C-O 3.57Å; Y28-I148 WeakPolarHBondContact CA-O 3.09Å; Y28-I148 HydrophobicContact CD1-CG2 4.04Å; Y28-C149 HydrophobicContact CD1-CB 4.44Å; Y28-V179 HydrophobicContact CD1-CB 4.31Å; Y28-V179 HydrophobicContact CD1-CG1 4.28Å; Y28-V179 HydrophobicContact CD1-CG2 4.14Å; Y28-V179 HydrophobicContact CE1-CG2 4.12Å; Y28-V179 HydrophobicContact CG-CG1 4.16Å
29I92.5Very high91.3Very high18 Ų1841.2 Ų41.29%0.09220%0.204CC..EExtended strand (participates in β ladder)trans-69.4114.1167-65.9179.5000108.4Y38 L40 W75 I148I29-Y38 HydrophobicContact CD1-CD1 3.86Å; I29-Y38 HydrophobicContact CD1-CE1 4.06Å; I29-Y38 HydrophobicContact CG1-CD1 4.42Å; I29-Y38 HydrophobicContact CG2-CD1 4.06Å; I29-L40 HydrophobicContact CB-CD2 4.5Å; I29-L40 HydrophobicContact CG1-CD2 3.65Å; I29-W75 HydrophobicContact CG1-CH2 4.44Å; I29-W75 HydrophobicContact CG1-CZ3 4.31Å; I29-I148 PolarHBondContact N-O 3.43Å
30L90.7Very high91.4Very high1 Ų141 Ų411%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-88.5-33.5172.2-61-169.8000112.4Y28 L39 Q41 K47 V179 W180 Y183Y28-L30 PolarHBondContact O-N 3.03Å; L30-L39 HydrophobicContact CB-CD2 4.05Å; L30-L39 HydrophobicContact CB-CG 4.18Å; L30-L39 HydrophobicContact CD1-CD2 4.29Å; L30-L39 HydrophobicContact CD1-CG 4.49Å; L30-L39 PolarHBondContact N-O 3Å; L30-Q41 HydrophobicContact CD1-CB 3.76Å; L30-Q41 HydrophobicContact CD1-CG 4.28Å; L30-Q41 HydrophobicContact CD2-CB 4.09Å; L30-Q41 HydrophobicContact CG-CB 3.8Å; L30-K47 HydrophobicContact CD1-CD 4.12Å; L30-K47 HydrophobicContact CD1-CG 4.22Å; L30-V179 HydrophobicContact CD2-CG1 3.71Å; L30-W180 WeakPolarHBondContact O-CZ3 3.39Å; L30-Y183 HydrophobicContact CB-CD1 4.2Å; L30-Y183 HydrophobicContact CB-CD2 4.42Å; L30-Y183 HydrophobicContact CB-CE1 4.42Å; L30-Y183 HydrophobicContact CB-CG 4.22Å; L30-Y183 HydrophobicContact CD1-CD2 4.16Å; L30-Y183 HydrophobicContact CD1-CG 4.47Å; L30-Y183 VanDerWaalsContact O-CD1 3.26Å; L30-Y183 WeakPolarHBondContact O-CD1 2.93Å; L30-Y183 WeakPolarHBondContact O-CE1 3.25Å
31K88.9Confident91.5Very high78 Ų7837.2 Ų37.234%0.33919%0.185SC..EExtended strand (participates in β ladder)trans-156.4152.6-179.9-170.1157179165.50111.4Y33 Y38 L39 Y183K31-Y33 HydrophobicContact CD-CD1 4.36Å; K31-Y33 HydrophobicContact CD-CE1 3.74Å; K31-Y33 HydrophobicContact CG-CD1 4.39Å; K31-Y33 HydrophobicContact CG-CE1 4.1Å; K31-Y38 CarbonylContact O-C 3.59Å; K31-Y38 WeakPolarHBondContact O-CA 3.42Å; K31-L39 HydrophobicContact CB-CB 4.04Å; K31-L39 HydrophobicContact CB-CD2 4.42Å; K31-L39 PolarHBondContact N-O 3.18Å; K31-L39 PolarHBondContact O-N 3.34Å; K31-Y183 HydrophobicContact CB-CE1 4.33Å; K31-Y183 WeakPolarHBondContact CD-OH 3.47Å
32Q89.8Confident91.4Very high42 Ų4233.2 Ų33.220%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-117.8134.7167.4-177.8175.9-2.200108.1G34 Y38 L442Q32-G34 WeakPolarHBondContact CG-O 3.42Å; Q32-G34 PolarHBondContact NE2-O 3.4Å; Q32-Y38 HydrophobicContact CB-CD1 3.83Å; Q32-Y38 HydrophobicContact CB-CE1 3.83Å; Q32-Y38 VanDerWaalsContact CD-CE1 3.41Å; Q32-Y38 HydrophobicContact CG-CD1 3.83Å; Q32-Y38 HydrophobicContact CG-CE1 3.48Å; Q32-Y38 VanDerWaalsContact CG-CE1 3.48Å; Q32-Y38 PolarHBondContact NE2-OH 3.42Å; Q32-L442 HydrophobicContact CB-CD1 4.25Å; Q32-L442 HydrophobicContact CG-CD1 4.21Å
33Y89.1Confident91Very high48 Ų4836.2 Ų36.219%0.18820%0.198CC..SBendtrans-111.7-24.4179.8-60.1-74.5000112.7K31 F37 L39K31-Y33 HydrophobicContact CD-CD1 4.36Å; K31-Y33 HydrophobicContact CD-CE1 3.74Å; K31-Y33 HydrophobicContact CG-CD1 4.39Å; K31-Y33 HydrophobicContact CG-CE1 4.1Å; Y33-F37 HydrophobicContact CD2-CD1 4.07Å; Y33-F37 HydrophobicContact CD2-CD2 4.01Å; Y33-F37 AromaticContact CD2-CE1 3.87Å; Y33-F37 HydrophobicContact CD2-CE1 3.87Å; Y33-F37 AromaticContact CD2-CE2 3.79Å; Y33-F37 HydrophobicContact CD2-CE2 3.79Å; Y33-F37 HydrophobicContact CD2-CG 4.13Å; Y33-F37 AromaticContact CD2-CZ 3.71Å; Y33-F37 HydrophobicContact CD2-CZ 3.71Å; Y33-F37 HydrophobicContact CE2-CE2 4.24Å; Y33-F37 HydrophobicContact CE2-CZ 4.15Å; Y33-F37 HydrophobicContact CG-CD1 4.12Å; Y33-F37 HydrophobicContact CG-CE1 4.02Å; Y33-F37 HydrophobicContact CG-CG 4.5Å; Y33-F37 HydrophobicContact CG-CZ 4.31Å; Y33-F37 PolarHBondContact N-O 3.01Å; Y33-L39 HydrophobicContact CE2-CB 3.97Å
34G87.3Confident90.9Very high0 Ų035.1 Ų35.10%020%0.204CC..SBendtrans-154.7-176.8177.500000110.8Q32 T36 F37Q32-G34 WeakPolarHBondContact CG-O 3.42Å; Q32-G34 PolarHBondContact NE2-O 3.4Å; G34-T36 PolarHBondContact O-N 2.84Å; G34-F37 PolarHBondContact N-O 3.37Å
35P90Very high90.9Very high43 Ų4335.4 Ų35.428%0.27919%0.194SC..SBendtrans-60.6-36.6178.625.5-34.3000112.2Y38 L104P35-Y38 VanDerWaalsContact O-CE2 3.26Å; P35-Y38 WeakPolarHBondContact O-CE2 3.37Å; P35-Y38 PolarHBondContact O-OH 2.85Å; P35-L104 HydrophobicContact CB-CD1 3.81Å; P35-L104 HydrophobicContact CB-CD2 3.81Å; P35-L104 HydrophobicContact CB-CG 4.5Å; P35-L104 HydrophobicContact CG-CD1 4.33Å
36T92.7Very high91Very high11 Ų1139.8 Ų39.87%0.06721%0.21CC..SBendtrans-111-6-17856.50000114.9G34 Y38 Q51 L52 I100 L104G34-T36 PolarHBondContact O-N 2.84Å; T36-Y38 WeakPolarHBondContact O-CD2 3.35Å; T36-Q51 WeakPolarHBondContact O-CA 3.49Å; T36-L52 WeakPolarHBondContact CB-O 3.43Å; T36-L52 HydrophobicContact CG2-CB 4.18Å; T36-L52 PolarHBondContact O-N 3.48Å; T36-L52 PolarHBondContact OG1-O 2.83Å; T36-I100 HydrophobicContact CG2-CG2 3.75Å; T36-L104 HydrophobicContact CG2-CD2 4.39Å
37F96Very high91.4Very high27 Ų2742 Ų4212%0.11822%0.216CC..EExtended strand (participates in β ladder)trans-109.7120.3-173.6-178.9-159.4000112.4Y33 G34 K49 V50 Q51Y33-F37 HydrophobicContact CD2-CD1 4.07Å; Y33-F37 HydrophobicContact CD2-CD2 4.01Å; Y33-F37 AromaticContact CD2-CE1 3.87Å; Y33-F37 HydrophobicContact CD2-CE1 3.87Å; Y33-F37 AromaticContact CD2-CE2 3.79Å; Y33-F37 HydrophobicContact CD2-CE2 3.79Å; Y33-F37 HydrophobicContact CD2-CG 4.13Å; Y33-F37 AromaticContact CD2-CZ 3.71Å; Y33-F37 HydrophobicContact CD2-CZ 3.71Å; Y33-F37 HydrophobicContact CE2-CE2 4.24Å; Y33-F37 HydrophobicContact CE2-CZ 4.15Å; Y33-F37 HydrophobicContact CG-CD1 4.12Å; Y33-F37 HydrophobicContact CG-CE1 4.02Å; Y33-F37 HydrophobicContact CG-CG 4.5Å; Y33-F37 HydrophobicContact CG-CZ 4.31Å; Y33-F37 PolarHBondContact N-O 3.01Å; G34-F37 PolarHBondContact N-O 3.37Å; F37-K49 HydrophobicContact CE2-CB 4.14Å; F37-V50 WeakPolarHBondContact CA-O 3.41Å; F37-Q51 HydrophobicContact CB-CB 4.17Å; F37-Q51 HydrophobicContact CB-CG 4Å; F37-Q51 HydrophobicContact CD2-CB 3.92Å; F37-Q51 HydrophobicContact CG-CB 4.19Å; F37-Q51 HydrophobicContact CG-CG 4.33Å
38Y95.8Very high91.6Very high1 Ų143.6 Ų43.60%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-134.8159.7-171.3-62-98.7000112.9I29 K31 Q32 P35 T36 V50 M76 R80 F81I29-Y38 HydrophobicContact CD1-CD1 3.86Å; I29-Y38 HydrophobicContact CD1-CE1 4.06Å; I29-Y38 HydrophobicContact CG1-CD1 4.42Å; I29-Y38 HydrophobicContact CG2-CD1 4.06Å; K31-Y38 CarbonylContact O-C 3.59Å; K31-Y38 WeakPolarHBondContact O-CA 3.42Å; Q32-Y38 HydrophobicContact CB-CD1 3.83Å; Q32-Y38 HydrophobicContact CB-CE1 3.83Å; Q32-Y38 VanDerWaalsContact CD-CE1 3.41Å; Q32-Y38 HydrophobicContact CG-CD1 3.83Å; Q32-Y38 HydrophobicContact CG-CE1 3.48Å; Q32-Y38 VanDerWaalsContact CG-CE1 3.48Å; Q32-Y38 PolarHBondContact NE2-OH 3.42Å; P35-Y38 VanDerWaalsContact O-CE2 3.26Å; P35-Y38 WeakPolarHBondContact O-CE2 3.37Å; P35-Y38 PolarHBondContact O-OH 2.85Å; T36-Y38 WeakPolarHBondContact O-CD2 3.35Å; Y38-V50 PolarHBondContact N-O 3.49Å; Y38-V50 PolarHBondContact O-N 2.81Å; Y38-M76 HydrophobicContact CD1-CE 4.49Å; Y38-M76 HydrophobicContact CD2-CE 3.23Å; Y38-M76 HydrophobicContact CD2-SD 4.35Å; Y38-M76 HydrophobicContact CE2-CE 3.45Å; Y38-M76 VanDerWaalsContact CE2-CE 3.45Å; Y38-M76 HydrophobicContact CG-CE 3.82Å; Y38-M76 HydrophobicContact CG-SD 4.47Å; Y38-R80 PolarHBondContact OH-NH2 3.12Å; Y38-F81 HydrophobicContact CE2-CZ 4.17Å
39L95.9Very high91.9Very high17 Ų1747.9 Ų47.99%0.08924%0.241CC..EExtended strand (participates in β ladder)trans-110.6112.8165.5-179.166.3000108.5L30 K31 Y33 K47 K49L30-L39 HydrophobicContact CB-CD2 4.05Å; L30-L39 HydrophobicContact CB-CG 4.18Å; L30-L39 HydrophobicContact CD1-CD2 4.29Å; L30-L39 HydrophobicContact CD1-CG 4.49Å; L30-L39 PolarHBondContact N-O 3Å; K31-L39 HydrophobicContact CB-CB 4.04Å; K31-L39 HydrophobicContact CB-CD2 4.42Å; K31-L39 PolarHBondContact N-O 3.18Å; K31-L39 PolarHBondContact O-N 3.34Å; Y33-L39 HydrophobicContact CE2-CB 3.97Å; L39-K47 HydrophobicContact CD1-CB 4.32Å; L39-K49 HydrophobicContact CD1-CG 4.36Å
40L95.8Very high92.1Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-96.2159.5174.9-52.9-171.7000111.1L27 Y28 I29 K47 Y48 V50 H72 W75 M76L27-L40 HydrophobicContact CD1-CD1 3.9Å; Y28-L40 CarbonylContact O-C 3.53Å; Y28-L40 WeakPolarHBondContact O-CA 3.46Å; I29-L40 HydrophobicContact CB-CD2 4.5Å; I29-L40 HydrophobicContact CG1-CD2 3.65Å; L40-K47 WeakPolarHBondContact O-CA 3.42Å; L40-Y48 PolarHBondContact N-O 3.49Å; L40-Y48 PolarHBondContact O-N 3.22Å; L40-V50 HydrophobicContact CD1-CG2 3.82Å; L40-V50 HydrophobicContact CG-CG2 3.97Å; L40-H72 HydrophobicContact CD1-CB 4.35Å; L40-W75 HydrophobicContact CD1-CE3 3.96Å; L40-W75 HydrophobicContact CD1-CZ3 4.16Å; L40-W75 HydrophobicContact CD2-CE3 4.5Å; L40-W75 HydrophobicContact CD2-CZ3 3.89Å; L40-M76 HydrophobicContact CD1-CG 4.29Å; L40-M76 HydrophobicContact CD1-SD 4.14Å; L40-M76 HydrophobicContact CD2-SD 4.04Å
41Q94.4Very high92.4Very high19 Ų1949 Ų499%0.08925%0.246CC..EExtended strand (participates in β ladder)trans-137.8144.7166.3-164-160.9-91.900110.2L27 Y28 L30 Q46 K47L27-Q41 WeakPolarHBondContact CA-O 3.34Å; Y28-Q41 PolarHBondContact N-O 3.03Å; Y28-Q41 PolarHBondContact O-N 2.83Å; L30-Q41 HydrophobicContact CD1-CB 3.76Å; L30-Q41 HydrophobicContact CD1-CG 4.28Å; L30-Q41 HydrophobicContact CD2-CB 4.09Å; L30-Q41 HydrophobicContact CG-CB 3.8Å; Q41-Q46 WeakPolarHBondContact CA-O 3.41Å; Q41-Q46 WeakPolarHBondContact CG-O 3.47Å; Q41-K47 HydrophobicContact CB-CG 4.37Å; Q41-K47 HydrophobicContact CG-CG 3.98Å
42D92.3Very high92.7Very high24 Ų2445.3 Ų45.313%0.12823%0.23CC..  trans-90.9-172174.576.2-10.5000112.8L27 L44 K45 Q46 Y48L27-D42 HydrophobicContact CD2-CB 3.88Å; D42-L44 VanDerWaalsContact OD1-C 3.29Å; D42-L44 WeakPolarHBondContact OD1-CA 3.26Å; D42-L44 PolarHBondContact OD1-N 3.45Å; D42-L44 WeakPolarHBondContact OD2-CB 3.27Å; D42-K45 PolarHBondContact O-N 3.41Å; D42-K45 PolarHBondContact OD1-N 3.31Å; D42-Q46 PolarHBondContact N-O 3.29Å; D42-Q46 VanDerWaalsContact N-O 3.1Å; D42-Q46 PolarHBondContact OD1-N 2.8Å; D42-Y48 HydrophobicContact CB-CE2 4.33Å
43G83Confident92.8Very high63 Ų6344 Ų4465%0.64923%0.227SC*.THydrogen-bonded Turntrans-71.3-25.4172.700000114.7K45G43-K45 PolarHBondContact O-N 3.27Å
44L87.7Confident92.9Very high143 Ų14346.7 Ų46.775%0.74925%0.245SC*.THydrogen-bonded Turntrans-830.7176.5-54.5178.3000112.9D42 Q46D42-L44 VanDerWaalsContact OD1-C 3.29Å; D42-L44 WeakPolarHBondContact OD1-CA 3.26Å; D42-L44 PolarHBondContact OD1-N 3.45Å; D42-L44 WeakPolarHBondContact OD2-CB 3.27Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 HydrophobicContact CB-CG 4.39Å; L44-Q46 PolarHBondContact O-N 3.44Å
45K86.2Confident93.1Very high100 Ų10052 Ų5244%0.43528%0.277SS..  trans70.113.9-176.6-47.2-172.4-176.9-166.50114.9D42 G43 E182D42-K45 PolarHBondContact O-N 3.41Å; D42-K45 PolarHBondContact OD1-N 3.31Å; G43-K45 PolarHBondContact O-N 3.27Å; K45-E182 IonicContact NZ-OE2 2.7Å
46Q92.5Very high93.3Very high113 Ų11350 Ų5053%0.52826%0.264SS..  trans-68.8149.2167.6-61.6-60.2-18.900110.4Q41 D42 L44 Y48Q41-Q46 WeakPolarHBondContact CA-O 3.41Å; Q41-Q46 WeakPolarHBondContact CG-O 3.47Å; D42-Q46 PolarHBondContact N-O 3.29Å; D42-Q46 VanDerWaalsContact N-O 3.1Å; D42-Q46 PolarHBondContact OD1-N 2.8Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 HydrophobicContact CB-CG 4.39Å; L44-Q46 PolarHBondContact O-N 3.44Å; Q46-Y48 HydrophobicContact CB-CE2 4.03Å; Q46-Y48 VanDerWaalsContact CB-OH 3.27Å; Q46-Y48 WeakPolarHBondContact CB-OH 3.25Å
47K94.9Very high93.5Very high93 Ų9352.7 Ų52.740%0.40428%0.28SS..EExtended strand (participates in β ladder)trans-125139.3-171.8-68.7179.5-177.2176.80112L30 L39 L40 Q41L30-K47 HydrophobicContact CD1-CD 4.12Å; L30-K47 HydrophobicContact CD1-CG 4.22Å; L39-K47 HydrophobicContact CD1-CB 4.32Å; L40-K47 WeakPolarHBondContact O-CA 3.42Å; Q41-K47 HydrophobicContact CB-CG 4.37Å; Q41-K47 HydrophobicContact CG-CG 3.98Å
48Y96.9Very high93.5Very high41 Ų4151.7 Ų51.716%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-132.9122-176-50.6-71.1000110.4L40 D42 Q46 C60 H72L40-Y48 PolarHBondContact N-O 3.49Å; L40-Y48 PolarHBondContact O-N 3.22Å; D42-Y48 HydrophobicContact CB-CE2 4.33Å; Q46-Y48 HydrophobicContact CB-CE2 4.03Å; Q46-Y48 VanDerWaalsContact CB-OH 3.27Å; Q46-Y48 WeakPolarHBondContact CB-OH 3.25Å; Y48-C60 HydrophobicContact CD1-CB 3.46Å; Y48-C60 VanDerWaalsContact CD1-CB 3.46Å; Y48-C60 HydrophobicContact CE1-CB 3.64Å; Y48-C60 HydrophobicContact CG-CB 4.36Å; Y48-H72 AromaticContact CD1-CE1 3.67Å; Y48-H72 AromaticContact CD2-CD2 3.87Å; Y48-H72 AromaticContact CD2-CE1 3.53Å; Y48-H72 AromaticContact CD2-NE2 3.37Å; Y48-H72 WeakPolarHBondContact CD2-NE2 3.33Å; Y48-H72 AromaticContact CE1-CE1 3.69Å; Y48-H72 AromaticContact CE2-CE1 3.57Å; Y48-H72 AromaticContact CE2-NE2 3.31Å; Y48-H72 VanDerWaalsContact CE2-NE2 3.31Å; Y48-H72 WeakPolarHBondContact CE2-NE2 3.47Å; Y48-H72 AromaticContact CG-CE1 3.57Å; Y48-H72 AromaticContact CG-ND1 3.84Å; Y48-H72 AromaticContact CG-NE2 3.89Å; Y48-H72 AromaticContact CZ-CE1 3.64Å; Y48-H72 AromaticContact CZ-NE2 3.78Å
49K96.7Very high93.6Very high123 Ų12354.5 Ų54.554%0.53530%0.296SS..EExtended strand (participates in β ladder)trans-73.8131.1162.3-67.4178.4-174.3172.10107.3F37 L39 C58 S59F37-K49 HydrophobicContact CE2-CB 4.14Å; L39-K49 HydrophobicContact CD1-CG 4.36Å; K49-C58 CarbonylContact O-C 3.56Å; K49-C58 VanDerWaalsContact O-CA 3.32Å; K49-C58 WeakPolarHBondContact O-CA 3.34Å; K49-S59 PolarHBondContact N-OG 2.75Å; K49-S59 PolarHBondContact O-N 2.82Å
50V96.9Very high93.5Very high1 Ų154 Ų541%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-139.6127.2-178.1-168.60000109.8F37 Y38 L40 T57 C58 H72 L73 M76F37-V50 WeakPolarHBondContact CA-O 3.41Å; Y38-V50 PolarHBondContact N-O 3.49Å; Y38-V50 PolarHBondContact O-N 2.81Å; L40-V50 HydrophobicContact CD1-CG2 3.82Å; L40-V50 HydrophobicContact CG-CG2 3.97Å; V50-T57 WeakPolarHBondContact CA-O 3.23Å; V50-C58 HydrophobicContact CG1-CB 4.49Å; V50-H72 HydrophobicContact CG2-CB 4.01Å; V50-L73 HydrophobicContact CG1-CD2 3.53Å; V50-L73 HydrophobicContact CG1-CG 4.14Å; V50-M76 HydrophobicContact CB-CG 4.43Å; V50-M76 HydrophobicContact CG1-CG 3.82Å
51Q96.9Very high93.4Very high42 Ų4256.1 Ų56.120%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-134.5129.4-178.9179.51675.400110.9T36 F37 T57 I480T36-Q51 WeakPolarHBondContact O-CA 3.49Å; F37-Q51 HydrophobicContact CB-CB 4.17Å; F37-Q51 HydrophobicContact CB-CG 4Å; F37-Q51 HydrophobicContact CD2-CB 3.92Å; F37-Q51 HydrophobicContact CG-CB 4.19Å; F37-Q51 HydrophobicContact CG-CG 4.33Å; Q51-T57 PolarHBondContact N-O 2.88Å; Q51-T57 PolarHBondContact O-N 3.08Å; Q51-I480 PolarHBondContact NE2-O 3.11Å
52L95.2Very high93.1Very high1 Ų160.6 Ų60.61%0.00534%0.341CS..  trans-92.3144.1166.3-47.2179.8000109.5T36 L73 M76 L77 F81 L103T36-L52 WeakPolarHBondContact CB-O 3.43Å; T36-L52 HydrophobicContact CG2-CB 4.18Å; T36-L52 PolarHBondContact O-N 3.48Å; T36-L52 PolarHBondContact OG1-O 2.83Å; L52-L73 HydrophobicContact CD2-CD2 3.57Å; L52-M76 HydrophobicContact CD1-CB 4.41Å; L52-M76 HydrophobicContact CD2-CB 4.43Å; L52-L77 HydrophobicContact CD1-CD2 3.83Å; L52-L77 HydrophobicContact CD1-CG 4.32Å; L52-L77 HydrophobicContact CD2-CG 4.5Å; L52-F81 HydrophobicContact CD1-CD2 3.71Å; L52-F81 HydrophobicContact CD1-CE2 3.58Å; L52-L103 HydrophobicContact CD1-CD2 3.68Å
53G93.4Very high93.1Very high13 Ų1360.7 Ų60.713%0.13434%0.34CS..SBendtrans175.5-178.3-170.700000111.4V55 H56 G94 L95G53-V55 CarbonylContact O-C 3.47Å; G53-V55 PolarHBondContact O-N 3.08Å; G53-H56 PolarHBondContact N-ND1 2.81Å; G53-H56 PolarHBondContact O-CE1 3.22Å; G53-H56 PolarHBondContact O-ND1 3.4Å; G53-G94 WeakPolarHBondContact O-CA 3.43Å; G53-L95 CarbonylContact C-O 3.56Å; G53-L95 PolarHBondContact O-N 3.17Å
54D90Very high93.5Very high106 Ų10660.1 Ų60.157%0.56732%0.324SS*.SBendtrans-48.8-31.6176.9-61.9-22.8000113.2G94 L95D54-G94 WeakPolarHBondContact O-CA 3.25Å; D54-L95 WeakPolarHBondContact CA-O 3.18Å; D54-L95 PolarHBondContact N-O 3.27Å
55V92.7Very high93.4Very high111 Ų11157.2 Ų57.267%0.67331%0.306SS*.SBendtrans-128129.5158.2-177.70000107.1G53G53-V55 CarbonylContact O-C 3.47Å; G53-V55 PolarHBondContact O-N 3.08Å
56H94.5Very high93.3Very high1 Ų156.4 Ų56.41%0.00531%0.306CS..  trans-71.1148.8176.3-70.37.9000111G53 F63 L73 P93G53-H56 PolarHBondContact N-ND1 2.81Å; G53-H56 PolarHBondContact O-CE1 3.22Å; G53-H56 PolarHBondContact O-ND1 3.4Å; H56-F63 WeakPolarHBondContact O-CZ 3.24Å; H56-L73 HydrophobicContact CB-CD1 4.01Å; H56-L73 HydrophobicContact CB-CD2 3.94Å; H56-P93 WeakPolarHBondContact CB-O 3.25Å; H56-P93 PolarHBondContact N-O 2.97Å
57T95.9Very high93.1Very high67 Ų6760.4 Ų60.441%0.41132%0.317SS..EExtended strand (participates in β ladder)trans-136.3144.5174.872.80000112.6V50 Q51V50-T57 WeakPolarHBondContact CA-O 3.23Å; Q51-T57 PolarHBondContact N-O 2.88Å; Q51-T57 PolarHBondContact O-N 3.08Å
58C97Very high92.8Very high6 Ų659.5 Ų59.54%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-145.9134.3173.2176.70000111K49 V50 C60 F63 C70 H72 L73K49-C58 CarbonylContact O-C 3.56Å; K49-C58 VanDerWaalsContact O-CA 3.32Å; K49-C58 WeakPolarHBondContact O-CA 3.34Å; V50-C58 HydrophobicContact CG1-CB 4.49Å; C58-C60 PolarHBondContact O-N 3.37Å; C58-F63 HydrophobicContact CB-CB 3.86Å; C58-F63 HydrophobicContact CB-CD1 4.24Å; C58-F63 HydrophobicContact CB-CD2 4.24Å; C58-F63 HydrophobicContact CB-CG 3.81Å; C58-F63 WeakPolarHBondContact O-CD1 3.35Å; C58-C70 VanDerWaalsContact SG-SG 3.62Å; C58-H72 PolarHBondContact SG-ND1 2.82Å; C58-H72 VanDerWaalsContact SG-ND1 3.45Å; C58-L73 HydrophobicContact CB-CD1 4.2Å; C58-L73 HydrophobicContact CB-CG 4.15Å
59S96.5Very high92.6Very high60 Ų6057.8 Ų57.842%0.4231%0.307SS..  trans-82.737178.477.90000113.7K49K49-S59 PolarHBondContact N-OG 2.75Å; K49-S59 PolarHBondContact O-N 2.82Å
60C94.8Very high92.6Very high6 Ų652.1 Ų52.14%0.04128%0.283CS..SBendtrans-108.8146.5175.879.80000110.7Y48 C58 N62 F63 T64 H72Y48-C60 HydrophobicContact CD1-CB 3.46Å; Y48-C60 VanDerWaalsContact CD1-CB 3.46Å; Y48-C60 HydrophobicContact CE1-CB 3.64Å; Y48-C60 HydrophobicContact CG-CB 4.36Å; C58-C60 PolarHBondContact O-N 3.37Å; C60-N62 PolarHBondContact O-N 3.48Å; C60-N62 VanDerWaalsContact O-N 3.11Å; C60-F63 PolarHBondContact O-N 2.86Å; C60-T64 PolarHBondContact O-N 3.06Å; C60-T64 PolarHBondContact O-OG1 3.37Å; C60-T64 VanDerWaalsContact O-OG1 3.12Å; C60-H72 VanDerWaalsContact CB-CE1 3.44Å; C60-H72 WeakPolarHBondContact CB-CE1 3.32Å; C60-H72 WeakPolarHBondContact CB-ND1 3.23Å; C60-H72 PolarHBondContact SG-ND1 3.03Å; C60-H72 VanDerWaalsContact SG-ND1 3.38Å
61G92Very high92.5Very high46 Ų4652.8 Ų52.847%0.47429%0.287SS..Hα-helixtrans-54.7-34.9-174.500000114.3T64 K65G61-T64 PolarHBondContact O-N 3.3Å; G61-K65 WeakPolarHBondContact O-CB 3.37Å; G61-K65 VanDerWaalsContact O-CG 3.31Å; G61-K65 WeakPolarHBondContact O-CG 3.24Å; G61-K65 PolarHBondContact O-N 2.87Å
62N89.5Confident92.5Very high113 Ų11351.9 Ų51.960%0.60428%0.283SS*.Hα-helixtrans-65.5-43.4177.4-61.112.3000111.4C60 N66C60-N62 PolarHBondContact O-N 3.48Å; C60-N62 VanDerWaalsContact O-N 3.11Å; N62-N66 WeakPolarHBondContact O-CB 3.39Å; N62-N66 PolarHBondContact O-N 2.98Å
63F92Very high92.6Very high25 Ų2551.8 Ų51.811%0.1128%0.282CS..Hα-helixtrans-69.4-45175.9-174.1-87.9000111.4H56 C58 C60 K65 R67 E68 C70 L73H56-F63 WeakPolarHBondContact O-CZ 3.24Å; C58-F63 HydrophobicContact CB-CB 3.86Å; C58-F63 HydrophobicContact CB-CD1 4.24Å; C58-F63 HydrophobicContact CB-CD2 4.24Å; C58-F63 HydrophobicContact CB-CG 3.81Å; C58-F63 WeakPolarHBondContact O-CD1 3.35Å; C60-F63 PolarHBondContact O-N 2.86Å; F63-K65 PolarHBondContact O-N 2.81Å; F63-R67 VanDerWaalsContact O-CA 3.29Å; F63-R67 WeakPolarHBondContact O-CA 3.35Å; F63-R67 PolarHBondContact O-N 2.92Å; F63-E68 WeakPolarHBondContact CD2-O 3.47Å; F63-C70 HydrophobicContact CB-CB 4.28Å; F63-L73 HydrophobicContact CD2-CD1 3.51Å; F63-L73 HydrophobicContact CE2-CD1 3.57Å
64T90.7Very high92.7Very high51 Ų5151.2 Ų51.231%0.31328%0.276SS..Hα-helixtrans-61.5-30.8179.7-51.40000112.6C60 G61 L359C60-T64 PolarHBondContact O-N 3.06Å; C60-T64 PolarHBondContact O-OG1 3.37Å; C60-T64 VanDerWaalsContact O-OG1 3.12Å; G61-T64 PolarHBondContact O-N 3.3Å; T64-L359 HydrophobicContact CG2-CD2 3.69Å; T64-L359 HydrophobicContact CG2-CG 4.32Å
65K86.7Confident93Very high83 Ų8346.1 Ų46.136%0.36125%0.249SC..Hα-helixtrans-83.1-50.6175.6-70.3-176.5-178.8-157.10113.2G61 F63G61-K65 WeakPolarHBondContact O-CB 3.37Å; G61-K65 VanDerWaalsContact O-CG 3.31Å; G61-K65 WeakPolarHBondContact O-CG 3.24Å; G61-K65 PolarHBondContact O-N 2.87Å; F63-K65 PolarHBondContact O-N 2.81Å
66N84.4Confident93Very high83 Ų8340.9 Ų40.944%0.44422%0.217SC..Hα-helixtrans-94.9-24.2-169-68.234.4000114.3N62 E68N62-N66 WeakPolarHBondContact O-CB 3.39Å; N62-N66 PolarHBondContact O-N 2.98Å; N66-E68 HydrophobicContact CB-CB 4.2Å; N66-E68 HydrophobicContact CB-CG 4.01Å; N66-E68 WeakPolarHBondContact CB-OE2 3.47Å; N66-E68 PolarHBondContact ND2-OE2 3.2Å; N66-E68 PolarHBondContact O-N 3.35Å; N66-E68 VanDerWaalsContact O-N 3.12Å
67R87.2Confident93Very high197 Ų19740.9 Ų40.974%0.74322%0.217SC*.  trans59.37.3-166.6-53.7-173.7179.5-146.4-0.9115.7F63F63-R67 VanDerWaalsContact O-CA 3.29Å; F63-R67 WeakPolarHBondContact O-CA 3.35Å; F63-R67 PolarHBondContact O-N 2.92Å
68E88.7Confident92.8Very high74 Ų7438.7 Ų38.735%0.34620%0.203SC..SBendtrans-80.9157.7174.7-61.6176.2121.600112.3I14 F63 N66 C70I14-E68 VanDerWaalsContact CG2-OE1 3.27Å; I14-E68 WeakPolarHBondContact CG2-OE1 3.38Å; F63-E68 WeakPolarHBondContact CD2-O 3.47Å; N66-E68 HydrophobicContact CB-CB 4.2Å; N66-E68 HydrophobicContact CB-CG 4.01Å; N66-E68 WeakPolarHBondContact CB-OE2 3.47Å; N66-E68 PolarHBondContact ND2-OE2 3.2Å; N66-E68 PolarHBondContact O-N 3.35Å; N66-E68 VanDerWaalsContact O-N 3.12Å; E68-C70 PolarHBondContact O-N 3.44Å
69L93.6Very high92.5Very high5 Ų540.4 Ų40.43%0.02621%0.208CC..  trans-60.8101.9176.6-98.961.2000111.5V15 N18 L73 L77 Q92V15-L69 HydrophobicContact CG1-CB 4.07Å; V15-L69 HydrophobicContact CG1-CD2 4.4Å; V15-L69 HydrophobicContact CG2-CB 4.06Å; N18-L69 PolarHBondContact ND2-O 2.88Å; L69-L73 HydrophobicContact CD1-CD1 4.44Å; L69-L73 HydrophobicContact CG-CB 4.15Å; L69-L73 HydrophobicContact CG-CD1 4.33Å; L69-L77 HydrophobicContact CD2-CD1 3.87Å; L69-Q92 VanDerWaalsContact CD1-O 3.31Å; L69-Q92 WeakPolarHBondContact CD1-O 3.49Å; L69-Q92 WeakPolarHBondContact CD2-O 3.27Å
70C95.8Very high92.2Very high4 Ų441.4 Ų41.43%0.02720%0.203CC..  trans-75.7167.8176.670.10000111.9C58 F63 E68 H72 L73 C74C58-C70 VanDerWaalsContact SG-SG 3.62Å; F63-C70 HydrophobicContact CB-CB 4.28Å; E68-C70 PolarHBondContact O-N 3.44Å; C70-H72 PolarHBondContact O-N 2.99Å; C70-H72 VanDerWaalsContact O-N 3.12Å; C70-L73 PolarHBondContact O-N 3.42Å; C70-C74 PolarHBondContact O-N 3.21Å; C70-C74 PolarHBondContact O-SG 3.45Å; C70-C74 VanDerWaalsContact O-SG 3.35Å
71V95.4Very high92Very high14 Ų1441.8 Ų41.89%0.08520%0.204CC..Hα-helixtrans-50.3-38.4177.9-175.40000112.2N18 E21 A22 C74 W75N18-V71 HydrophobicContact CB-CG2 4.11Å; E21-V71 HydrophobicContact CB-CG1 4.16Å; E21-V71 HydrophobicContact CB-CG2 4.21Å; E21-V71 HydrophobicContact CG-CG1 4Å; E21-V71 HydrophobicContact CG-CG2 4.24Å; E21-V71 WeakPolarHBondContact OE2-CG2 3.42Å; A22-V71 HydrophobicContact CB-CG1 4.22Å; V71-C74 PolarHBondContact O-N 2.87Å; V71-W75 WeakPolarHBondContact O-CB 3.49Å; V71-W75 PolarHBondContact O-N 2.71Å
72H96.5Very high91.8Very high23 Ų2342 Ų4211%0.10619%0.192CC..Hα-helixtrans-66-38177.9-48.6127.2000113.5L40 Y48 V50 C58 C60 C70 M76L40-H72 HydrophobicContact CD1-CB 4.35Å; Y48-H72 AromaticContact CD1-CE1 3.67Å; Y48-H72 AromaticContact CD2-CD2 3.87Å; Y48-H72 AromaticContact CD2-CE1 3.53Å; Y48-H72 AromaticContact CD2-NE2 3.37Å; Y48-H72 WeakPolarHBondContact CD2-NE2 3.33Å; Y48-H72 AromaticContact CE1-CE1 3.69Å; Y48-H72 AromaticContact CE2-CE1 3.57Å; Y48-H72 AromaticContact CE2-NE2 3.31Å; Y48-H72 VanDerWaalsContact CE2-NE2 3.31Å; Y48-H72 WeakPolarHBondContact CE2-NE2 3.47Å; Y48-H72 AromaticContact CG-CE1 3.57Å; Y48-H72 AromaticContact CG-ND1 3.84Å; Y48-H72 AromaticContact CG-NE2 3.89Å; Y48-H72 AromaticContact CZ-CE1 3.64Å; Y48-H72 AromaticContact CZ-NE2 3.78Å; V50-H72 HydrophobicContact CG2-CB 4.01Å; C58-H72 PolarHBondContact SG-ND1 2.82Å; C58-H72 VanDerWaalsContact SG-ND1 3.45Å; C60-H72 VanDerWaalsContact CB-CE1 3.44Å; C60-H72 WeakPolarHBondContact CB-CE1 3.32Å; C60-H72 WeakPolarHBondContact CB-ND1 3.23Å; C60-H72 PolarHBondContact SG-ND1 3.03Å; C60-H72 VanDerWaalsContact SG-ND1 3.38Å; C70-H72 PolarHBondContact O-N 2.99Å; C70-H72 VanDerWaalsContact O-N 3.12Å; H72-M76 WeakPolarHBondContact O-CG 3.3Å; H72-M76 PolarHBondContact O-N 3.3Å
73L96.5Very high91.8Very high0 Ų036.7 Ų36.70%016%0.163CC..Hα-helixtrans-72.7-42.5175.9-74.1167.5000110.8V50 L52 H56 C58 F63 L69 C70 W75 M76 L77V50-L73 HydrophobicContact CG1-CD2 3.53Å; V50-L73 HydrophobicContact CG1-CG 4.14Å; L52-L73 HydrophobicContact CD2-CD2 3.57Å; H56-L73 HydrophobicContact CB-CD1 4.01Å; H56-L73 HydrophobicContact CB-CD2 3.94Å; C58-L73 HydrophobicContact CB-CD1 4.2Å; C58-L73 HydrophobicContact CB-CG 4.15Å; F63-L73 HydrophobicContact CD2-CD1 3.51Å; F63-L73 HydrophobicContact CE2-CD1 3.57Å; L69-L73 HydrophobicContact CD1-CD1 4.44Å; L69-L73 HydrophobicContact CG-CB 4.15Å; L69-L73 HydrophobicContact CG-CD1 4.33Å; C70-L73 PolarHBondContact O-N 3.42Å; L73-W75 VanDerWaalsContact C-N 3.28Å; L73-W75 PolarHBondContact O-N 3.03Å; L73-M76 WeakPolarHBondContact O-CB 3.15Å; L73-M76 PolarHBondContact O-N 3.44Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 2.74Å
74C96Very high91.5Very high0 Ų038.2 Ų38.20%017%0.173CC..Hα-helixtrans-60.7-38.4173.9-60.60000111.7N18 Q19 A22 C70 V71 L77 I78N18-C74 WeakPolarHBondContact O-CB 3.41Å; Q19-C74 HydrophobicContact CG-CB 4.08Å; A22-C74 HydrophobicContact CB-CB 3.72Å; C70-C74 PolarHBondContact O-N 3.21Å; C70-C74 PolarHBondContact O-SG 3.45Å; C70-C74 VanDerWaalsContact O-SG 3.35Å; V71-C74 PolarHBondContact O-N 2.87Å; C74-L77 PolarHBondContact O-N 2.82Å; C74-I78 WeakPolarHBondContact O-CB 3.47Å; C74-I78 PolarHBondContact O-N 2.99Å
75W95.6Very high91.4Very high0 Ų037.1 Ų37.10%017%0.167CC..Hα-helixtrans-66.6-40.3174.7-169.498.3000111.8A22 A25 L27 I29 L40 V71 L73 R79 R80 Q150A22-W75 HydrophobicContact CB-CB 3.94Å; A22-W75 VanDerWaalsContact O-CD1 3.23Å; A25-W75 PolarHBondContact O-NE1 3.21Å; L27-W75 HydrophobicContact CB-CD2 4.03Å; L27-W75 HydrophobicContact CB-CE3 4.3Å; L27-W75 HydrophobicContact CB-CH2 3.93Å; L27-W75 HydrophobicContact CB-CZ2 3.67Å; L27-W75 HydrophobicContact CB-CZ3 4.24Å; L27-W75 HydrophobicContact CD1-CB 4.02Å; L27-W75 HydrophobicContact CD1-CD2 3.76Å; L27-W75 HydrophobicContact CD1-CE3 4.13Å; L27-W75 HydrophobicContact CD1-CG 3.69Å; L27-W75 HydrophobicContact CG-CD2 4.14Å; L27-W75 HydrophobicContact CG-CG 4.23Å; L27-W75 VanDerWaalsContact O-CZ2 3.3Å; L27-W75 WeakPolarHBondContact O-CZ2 3.46Å; I29-W75 HydrophobicContact CG1-CH2 4.44Å; I29-W75 HydrophobicContact CG1-CZ3 4.31Å; L40-W75 HydrophobicContact CD1-CE3 3.96Å; L40-W75 HydrophobicContact CD1-CZ3 4.16Å; L40-W75 HydrophobicContact CD2-CE3 4.5Å; L40-W75 HydrophobicContact CD2-CZ3 3.89Å; V71-W75 WeakPolarHBondContact O-CB 3.49Å; V71-W75 PolarHBondContact O-N 2.71Å; L73-W75 VanDerWaalsContact C-N 3.28Å; L73-W75 PolarHBondContact O-N 3.03Å; W75-R79 HydrophobicContact CD2-CB 4.05Å; W75-R79 HydrophobicContact CD2-CG 4.48Å; W75-R79 HydrophobicContact CG-CB 4.12Å; W75-R79 HydrophobicContact CG-CG 4.09Å; W75-R79 WeakPolarHBondContact O-CA 3.26Å; W75-R79 VanDerWaalsContact O-CB 3.27Å; W75-R79 WeakPolarHBondContact O-CB 3.46Å; W75-R79 PolarHBondContact O-N 2.85Å; W75-R80 PolarHBondContact O-N 2.77Å; W75-R80 VanDerWaalsContact O-N 3.15Å; W75-Q150 VanDerWaalsContact CZ3-NE2 3.31Å
76M94.7Very high91.4Very high1 Ų138.1 Ų38.11%0.00518%0.176CC..Iπ-helixtrans-60.5-47.5172.4-73.4-59.4-58.400111.7Y38 L40 V50 L52 H72 L73 R80 F81Y38-M76 HydrophobicContact CD1-CE 4.49Å; Y38-M76 HydrophobicContact CD2-CE 3.23Å; Y38-M76 HydrophobicContact CD2-SD 4.35Å; Y38-M76 HydrophobicContact CE2-CE 3.45Å; Y38-M76 VanDerWaalsContact CE2-CE 3.45Å; Y38-M76 HydrophobicContact CG-CE 3.82Å; Y38-M76 HydrophobicContact CG-SD 4.47Å; L40-M76 HydrophobicContact CD1-CG 4.29Å; L40-M76 HydrophobicContact CD1-SD 4.14Å; L40-M76 HydrophobicContact CD2-SD 4.04Å; V50-M76 HydrophobicContact CB-CG 4.43Å; V50-M76 HydrophobicContact CG1-CG 3.82Å; L52-M76 HydrophobicContact CD1-CB 4.41Å; L52-M76 HydrophobicContact CD2-CB 4.43Å; H72-M76 WeakPolarHBondContact O-CG 3.3Å; H72-M76 PolarHBondContact O-N 3.3Å; L73-M76 WeakPolarHBondContact O-CB 3.15Å; L73-M76 PolarHBondContact O-N 3.44Å; M76-R80 HydrophobicContact CE-CB 3.99Å; M76-R80 HydrophobicContact CE-CG 3.63Å; M76-R80 WeakPolarHBondContact O-CA 3.39Å; M76-R80 VanDerWaalsContact O-CB 3.29Å; M76-R80 WeakPolarHBondContact O-CB 3.49Å; M76-R80 PolarHBondContact O-N 3.09Å; M76-R80 HydrophobicContact SD-CB 4.1Å; M76-R80 HydrophobicContact SD-CG 4.28Å; M76-F81 HydrophobicContact CE-CD2 4.44Å; M76-F81 HydrophobicContact CE-CE2 3.73Å; M76-F81 HydrophobicContact CE-CZ 4.47Å; M76-F81 VanDerWaalsContact O-CD2 3.24Å; M76-F81 WeakPolarHBondContact O-CD2 3.47Å; M76-F81 PolarHBondContact O-N 2.97Å
77L94Very high91.5Very high0 Ų036.3 Ų36.30%017%0.166CC..Iπ-helixtrans-66-52.2-179.9-67.4161.8000111.6L52 L69 L73 C74 F81 K82 V83 L95 L103L52-L77 HydrophobicContact CD1-CD2 3.83Å; L52-L77 HydrophobicContact CD1-CG 4.32Å; L52-L77 HydrophobicContact CD2-CG 4.5Å; L69-L77 HydrophobicContact CD2-CD1 3.87Å; L73-L77 WeakPolarHBondContact O-CG 3.43Å; L73-L77 PolarHBondContact O-N 2.74Å; C74-L77 PolarHBondContact O-N 2.82Å; L77-F81 CarbonylContact O-C 3.56Å; L77-F81 PolarHBondContact O-N 3.14Å; L77-K82 PolarHBondContact O-N 3.41Å; L77-K82 VanDerWaalsContact O-N 3.11Å; L77-V83 HydrophobicContact CB-CG2 4.48Å; L77-V83 HydrophobicContact CD2-CG2 4.46Å; L77-V83 WeakPolarHBondContact O-CB 3.42Å; L77-V83 WeakPolarHBondContact O-CG2 3.4Å; L77-V83 PolarHBondContact O-N 3.27Å; L77-L95 HydrophobicContact CD2-CD1 4.21Å; L77-L103 HydrophobicContact CD2-CD1 4.37Å; L77-L103 HydrophobicContact CD2-CD2 4.25Å
78I91.6Very high91.6Very high21 Ų2129.8 Ų29.811%0.10815%0.149CC..Iπ-helixtrans-85-39.8-170.7-63.8164.6000113.3Q19 R23 C74 K82 P85Q19-I78 HydrophobicContact CB-CD1 3.52Å; Q19-I78 HydrophobicContact CG-CD1 3.5Å; Q19-I78 VanDerWaalsContact CG-CD1 3.5Å; R23-I78 HydrophobicContact CG-CG2 4.01Å; C74-I78 WeakPolarHBondContact O-CB 3.47Å; C74-I78 PolarHBondContact O-N 2.99Å; I78-K82 VanDerWaalsContact O-CA 3.32Å; I78-K82 WeakPolarHBondContact O-CA 3.44Å; I78-P85 HydrophobicContact CD1-CB 4.05Å; I78-P85 HydrophobicContact CD1-CG 3.84Å; I78-P85 HydrophobicContact CG1-CG 4.07Å; I78-P85 HydrophobicContact CG2-CG 4.18Å
79R90Very high91.7Very high43 Ų4326.5 Ų26.516%0.16213%0.134CC..Iπ-helixtrans-93.1-41.1-176.6-59.4-98.3-99.9139.7-2.7111.9A22 R23 A25 W75 Q150 E151A22-R79 WeakPolarHBondContact O-CG 3.28Å; A22-R79 PolarHBondContact O-NE 3.39Å; R23-R79 PolarHBondContact O-NE 3.35Å; A25-R79 PolarHBondContact O-NH2 2.9Å; W75-R79 HydrophobicContact CD2-CB 4.05Å; W75-R79 HydrophobicContact CD2-CG 4.48Å; W75-R79 HydrophobicContact CG-CB 4.12Å; W75-R79 HydrophobicContact CG-CG 4.09Å; W75-R79 WeakPolarHBondContact O-CA 3.26Å; W75-R79 VanDerWaalsContact O-CB 3.27Å; W75-R79 WeakPolarHBondContact O-CB 3.46Å; W75-R79 PolarHBondContact O-N 2.85Å; R79-Q150 PolarHBondContact O-OE1 3.45Å; R79-E151 IonicContact CZ-OE1 3.87Å; R79-E151 VanDerWaalsContact NH1-CG 3.31Å; R79-E151 IonicContact NH1-OE1 3.84Å; R79-E151 IonicContact NH2-OE1 3.14Å; R79-E151 PolarHBondContact NH2-OE1 2.91Å
80R90.4Very high91.6Very high81 Ų8126.3 Ų26.331%0.30613%0.133SC..Iπ-helixtrans-85.8-40.4-178.2173.458.9-171.887.55.3113.7Y38 W75 M76 Q150Y38-R80 PolarHBondContact OH-NH2 3.12Å; W75-R80 PolarHBondContact O-N 2.77Å; W75-R80 VanDerWaalsContact O-N 3.15Å; M76-R80 HydrophobicContact CE-CB 3.99Å; M76-R80 HydrophobicContact CE-CG 3.63Å; M76-R80 WeakPolarHBondContact O-CA 3.39Å; M76-R80 VanDerWaalsContact O-CB 3.29Å; M76-R80 WeakPolarHBondContact O-CB 3.49Å; M76-R80 PolarHBondContact O-N 3.09Å; M76-R80 HydrophobicContact SD-CB 4.1Å; M76-R80 HydrophobicContact SD-CG 4.28Å; R80-Q150 VanDerWaalsContact CB-OE1 3.28Å
81F90.9Very high91.5Very high14 Ų1427.7 Ų27.76%0.06114%0.138CC..SBendtrans-104.90.9179.6-65.7-69.5000114.1Y38 L52 M76 L77 V83 L103 L104Y38-F81 HydrophobicContact CE2-CZ 4.17Å; L52-F81 HydrophobicContact CD1-CD2 3.71Å; L52-F81 HydrophobicContact CD1-CE2 3.58Å; M76-F81 HydrophobicContact CE-CD2 4.44Å; M76-F81 HydrophobicContact CE-CE2 3.73Å; M76-F81 HydrophobicContact CE-CZ 4.47Å; M76-F81 VanDerWaalsContact O-CD2 3.24Å; M76-F81 WeakPolarHBondContact O-CD2 3.47Å; M76-F81 PolarHBondContact O-N 2.97Å; L77-F81 CarbonylContact O-C 3.56Å; L77-F81 PolarHBondContact O-N 3.14Å; F81-V83 HydrophobicContact CB-CG2 4.14Å; F81-V83 PolarHBondContact O-N 3.39Å; F81-V83 VanDerWaalsContact O-N 3.14Å; F81-L103 HydrophobicContact CB-CD1 3.57Å; F81-L103 HydrophobicContact CB-CG 4Å; F81-L103 HydrophobicContact CD1-CG 4.1Å; F81-L103 HydrophobicContact CD2-CD2 4.05Å; F81-L103 HydrophobicContact CD2-CG 4.33Å; F81-L103 HydrophobicContact CE2-CD2 4.42Å; F81-L103 HydrophobicContact CG-CD1 4.03Å; F81-L103 HydrophobicContact CG-CD2 4.13Å; F81-L103 HydrophobicContact CG-CG 3.89Å; F81-L104 HydrophobicContact CE1-CD2 3.85Å; F81-L104 HydrophobicContact CZ-CD2 4.26Å
82K87Confident91.3Very high50 Ų5027.6 Ų27.622%0.21714%0.137CC..  trans57.823.5174.1-68.9177163.8-72.10114.6L77 I78 S109 V110 M111 Y152L77-K82 PolarHBondContact O-N 3.41Å; L77-K82 VanDerWaalsContact O-N 3.11Å; I78-K82 VanDerWaalsContact O-CA 3.32Å; I78-K82 WeakPolarHBondContact O-CA 3.44Å; K82-S109 WeakPolarHBondContact O-CA 3.48Å; K82-V110 PolarHBondContact O-N 3.44Å; K82-M111 HydrophobicContact CD-CB 4.32Å; K82-M111 PolarHBondContact NZ-SD 2.98Å; K82-Y152 PolarHBondContact NZ-OH 3.27Å
83V89.4Confident91Very high2 Ų229.5 Ų29.51%0.01215%0.151CC..BIsolated β-bridgetrans-63.1134.1178-173.40000109.8L77 F81 P85 N87 V89 L103 H108L77-V83 HydrophobicContact CB-CG2 4.48Å; L77-V83 HydrophobicContact CD2-CG2 4.46Å; L77-V83 WeakPolarHBondContact O-CB 3.42Å; L77-V83 WeakPolarHBondContact O-CG2 3.4Å; L77-V83 PolarHBondContact O-N 3.27Å; F81-V83 HydrophobicContact CB-CG2 4.14Å; F81-V83 PolarHBondContact O-N 3.39Å; F81-V83 VanDerWaalsContact O-N 3.14Å; V83-P85 WeakPolarHBondContact O-CD 3.3Å; V83-N87 HydrophobicContact CG1-CB 4.24Å; V83-V89 HydrophobicContact CG1-CB 4.23Å; V83-V89 HydrophobicContact CG1-CG1 4.16Å; V83-V89 HydrophobicContact CG2-CG1 4.42Å; V83-L103 HydrophobicContact CG2-CD1 3.21Å; V83-H108 WeakPolarHBondContact CA-O 3.47Å; V83-H108 HydrophobicContact CG1-CB 4.21Å; V83-H108 HydrophobicContact CG2-CB 4.29Å
84D86Confident90.8Very high57 Ų5729.5 Ų29.531%0.30515%0.151SC..  trans-57.5125.6171-166.6-39.4000110.1N86 N87 S90 V110D84-N86 PolarHBondContact O-N 2.76Å; D84-N86 WeakPolarHBondContact OD1-CA 3.4Å; D84-N86 VanDerWaalsContact OD1-CB 3.32Å; D84-N86 WeakPolarHBondContact OD1-CB 3.35Å; D84-N86 PolarHBondContact OD1-N 2.86Å; D84-N86 PolarHBondContact OD1-ND2 3.39Å; D84-N86 VanDerWaalsContact OD1-ND2 3.09Å; D84-N87 HydrophobicContact CB-CB 4.02Å; D84-N87 WeakPolarHBondContact O-CB 3.38Å; D84-N87 PolarHBondContact O-N 3.34Å; D84-S90 WeakPolarHBondContact O-CB 3.34Å; D84-S90 PolarHBondContact O-OG 3.35Å; D84-V110 HydrophobicContact CB-CG2 3.61Å
85P88.8Confident90.6Very high28 Ų2829.5 Ų29.518%0.18215%0.151CC..THydrogen-bonded Turntrans-56.6-15.6173.9-23.333.2000114.6R11 Q19 I78 V83 S90 W91R11-P85 PolarHBondContact NH1-O 3.24Å; Q19-P85 PolarHBondContact OE1-O 3.21Å; I78-P85 HydrophobicContact CD1-CB 4.05Å; I78-P85 HydrophobicContact CD1-CG 3.84Å; I78-P85 HydrophobicContact CG1-CG 4.07Å; I78-P85 HydrophobicContact CG2-CG 4.18Å; V83-P85 WeakPolarHBondContact O-CD 3.3Å; P85-S90 PolarHBondContact O-OG 3.48Å; P85-S90 VanDerWaalsContact O-OG 3.11Å; P85-W91 WeakPolarHBondContact O-CZ3 3.35Å
86N86.4Confident90.5Very high104 Ų10432.4 Ų32.456%0.55617%0.168SC*.THydrogen-bonded Turntrans-99.9-2.8176.9-52.4-61.6000113.7R11 D84 W91R11-N86 PolarHBondContact NH1-OD1 3.22Å; D84-N86 PolarHBondContact O-N 2.76Å; D84-N86 WeakPolarHBondContact OD1-CA 3.4Å; D84-N86 VanDerWaalsContact OD1-CB 3.32Å; D84-N86 WeakPolarHBondContact OD1-CB 3.35Å; D84-N86 PolarHBondContact OD1-N 2.86Å; D84-N86 PolarHBondContact OD1-ND2 3.39Å; D84-N86 VanDerWaalsContact OD1-ND2 3.09Å; N86-W91 VanDerWaalsContact C-CZ3 3.46Å; N86-W91 WeakPolarHBondContact O-CH2 3.46Å; N86-W91 WeakPolarHBondContact O-CZ3 3.46Å
87N88Confident90.2Very high44 Ų4439.8 Ų39.824%0.23520%0.203CC..SBendtrans-83.2132.7167.4-179-42.2000109.7V83 D84 V89 S90 W91V83-N87 HydrophobicContact CG1-CB 4.24Å; D84-N87 HydrophobicContact CB-CB 4.02Å; D84-N87 WeakPolarHBondContact O-CB 3.38Å; D84-N87 PolarHBondContact O-N 3.34Å; N87-V89 PolarHBondContact O-N 3.05Å; N87-V89 VanDerWaalsContact O-N 3.07Å; N87-V89 WeakPolarHBondContact OD1-CB 3.48Å; N87-V89 WeakPolarHBondContact OD1-CG2 3.29Å; N87-V89 PolarHBondContact OD1-N 3.42Å; N87-S90 WeakPolarHBondContact O-CB 3.38Å; N87-S90 PolarHBondContact O-N 2.79Å; N87-S90 PolarHBondContact O-OG 2.94Å; N87-W91 VanDerWaalsContact C-CZ3 3.45Å; N87-W91 VanDerWaalsContact O-CZ3 3.32Å; N87-W91 WeakPolarHBondContact O-CZ3 3.3Å
88P88.6Confident89.9Confident60 Ų6049.4 Ų49.439%0.3924%0.239SC..G310 helixtrans-48.9-35.3178.8-30.936.2000115.7S90 W91 Q92P88-S90 PolarHBondContact O-N 3.18Å; P88-W91 HydrophobicContact CB-CH2 4.42Å; P88-W91 HydrophobicContact CB-CZ2 4Å; P88-W91 HydrophobicContact CG-CH2 4.07Å; P88-W91 HydrophobicContact CG-CZ2 3.88Å; P88-W91 PolarHBondContact O-N 2.73Å; P88-Q92 WeakPolarHBondContact O-CG 3.49Å; P88-Q92 PolarHBondContact O-N 3.46Å; P88-Q92 VanDerWaalsContact O-N 3.16Å
89V90.7Very high89.9Confident6 Ų649.7 Ų49.74%0.03624%0.24CC..G310 helixtrans-54-23.4176171.20000112.8V83 N87 L95 L103V83-V89 HydrophobicContact CG1-CB 4.23Å; V83-V89 HydrophobicContact CG1-CG1 4.16Å; V83-V89 HydrophobicContact CG2-CG1 4.42Å; N87-V89 PolarHBondContact O-N 3.05Å; N87-V89 VanDerWaalsContact O-N 3.07Å; N87-V89 WeakPolarHBondContact OD1-CB 3.48Å; N87-V89 WeakPolarHBondContact OD1-CG2 3.29Å; N87-V89 PolarHBondContact OD1-N 3.42Å; V89-L95 HydrophobicContact CB-CD2 4.19Å; V89-L95 HydrophobicContact CG1-CD1 3.84Å; V89-L95 HydrophobicContact CG1-CD2 3.81Å; V89-L95 HydrophobicContact CG2-CD2 4.17Å; V89-L103 HydrophobicContact CG1-CD1 4.27Å
90S91.4Very high90Very high0 Ų048.9 Ų48.90%024%0.239CC..G310 helixtrans-79.9-10.117771.30000115.3Q19 D84 P85 N87 P88Q19-S90 PolarHBondContact NE2-O 2.93Å; Q19-S90 PolarHBondContact NE2-OG 3.24Å; D84-S90 WeakPolarHBondContact O-CB 3.34Å; D84-S90 PolarHBondContact O-OG 3.35Å; P85-S90 PolarHBondContact O-OG 3.48Å; P85-S90 VanDerWaalsContact O-OG 3.11Å; N87-S90 WeakPolarHBondContact O-CB 3.38Å; N87-S90 PolarHBondContact O-N 2.79Å; N87-S90 PolarHBondContact O-OG 2.94Å; P88-S90 PolarHBondContact O-N 3.18Å
91W92.9Very high90Very high34 Ų3447.7 Ų47.713%0.12924%0.243CC..THydrogen-bonded Turntrans-134.52.518069.478.5000116.1I9 R11 V15 P85 N86 N87 P88I9-W91 PolarHBondContact O-NE1 3.28Å; R11-W91 HydrophobicContact CB-CD2 3.58Å; R11-W91 HydrophobicContact CB-CE3 3.92Å; R11-W91 HydrophobicContact CB-CG 3.86Å; R11-W91 HydrophobicContact CB-CH2 4.47Å; R11-W91 HydrophobicContact CB-CZ2 4.16Å; R11-W91 HydrophobicContact CB-CZ3 4.35Å; R11-W91 HydrophobicContact CG-CB 4.05Å; R11-W91 HydrophobicContact CG-CD2 3.83Å; R11-W91 HydrophobicContact CG-CE3 3.9Å; R11-W91 HydrophobicContact CG-CG 3.93Å; V15-W91 HydrophobicContact CB-CB 4.48Å; V15-W91 HydrophobicContact CG1-CB 3.71Å; P85-W91 WeakPolarHBondContact O-CZ3 3.35Å; N86-W91 VanDerWaalsContact C-CZ3 3.46Å; N86-W91 WeakPolarHBondContact O-CH2 3.46Å; N86-W91 WeakPolarHBondContact O-CZ3 3.46Å; N87-W91 VanDerWaalsContact C-CZ3 3.45Å; N87-W91 VanDerWaalsContact O-CZ3 3.32Å; N87-W91 WeakPolarHBondContact O-CZ3 3.3Å; P88-W91 HydrophobicContact CB-CH2 4.42Å; P88-W91 HydrophobicContact CB-CZ2 4Å; P88-W91 HydrophobicContact CG-CH2 4.07Å; P88-W91 HydrophobicContact CG-CZ2 3.88Å; P88-W91 PolarHBondContact O-N 2.73Å
92Q91.1Very high89.8Confident12 Ų1247.4 Ų47.46%0.05624%0.243CC..  trans-65.1145.9170.9-65.6-173.248.900111.2L69 P88 G94 L95 E99L69-Q92 VanDerWaalsContact CD1-O 3.31Å; L69-Q92 WeakPolarHBondContact CD1-O 3.49Å; L69-Q92 WeakPolarHBondContact CD2-O 3.27Å; P88-Q92 WeakPolarHBondContact O-CG 3.49Å; P88-Q92 PolarHBondContact O-N 3.46Å; P88-Q92 VanDerWaalsContact O-N 3.16Å; Q92-G94 WeakPolarHBondContact CB-O 3.47Å; Q92-G94 PolarHBondContact O-N 3.34Å; Q92-G94 PolarHBondContact OE1-O 3.44Å; Q92-L95 HydrophobicContact CB-CD2 4.16Å; Q92-L95 HydrophobicContact CG-CD2 4.49Å; Q92-E99 PolarHBondContact NE2-OE1 2.83Å
93P90.6Very high89.9Confident62 Ų6245.2 Ų45.240%0.40323%0.234SC..SBendtrans-72.6-10.9178.431.3-36.7000114.1H56H56-P93 WeakPolarHBondContact CB-O 3.25Å; H56-P93 PolarHBondContact N-O 2.97Å
94G92.9Very high89.9Confident1 Ų148.6 Ų48.61%0.0125%0.252CS..  trans-162.9162.7-175.600000108.2G53 D54 Q92G53-G94 WeakPolarHBondContact O-CA 3.43Å; D54-G94 WeakPolarHBondContact O-CA 3.25Å; Q92-G94 WeakPolarHBondContact CB-O 3.47Å; Q92-G94 PolarHBondContact O-N 3.34Å; Q92-G94 PolarHBondContact OE1-O 3.44Å
95L92.3Very high89.8Confident0 Ų051.4 Ų51.40%027%0.267CS..  trans-133.1132.2174.9-67.5172.3000107.7G53 D54 L77 V89 Q92 E99 I100 L103G53-L95 CarbonylContact C-O 3.56Å; G53-L95 PolarHBondContact O-N 3.17Å; D54-L95 WeakPolarHBondContact CA-O 3.18Å; D54-L95 PolarHBondContact N-O 3.27Å; L77-L95 HydrophobicContact CD2-CD1 4.21Å; V89-L95 HydrophobicContact CB-CD2 4.19Å; V89-L95 HydrophobicContact CG1-CD1 3.84Å; V89-L95 HydrophobicContact CG1-CD2 3.81Å; V89-L95 HydrophobicContact CG2-CD2 4.17Å; Q92-L95 HydrophobicContact CB-CD2 4.16Å; Q92-L95 HydrophobicContact CG-CD2 4.49Å; L95-E99 HydrophobicContact CB-CB 4Å; L95-E99 HydrophobicContact CD2-CB 4.11Å; L95-I100 HydrophobicContact CB-CG1 3.96Å; L95-I100 WeakPolarHBondContact O-CD1 3.31Å; L95-I100 WeakPolarHBondContact O-CG1 3.33Å; L95-L103 HydrophobicContact CD1-CD2 3.98Å
96V91.9Very high89.3Confident60 Ų6050.7 Ų50.736%0.36426%0.264SS..  trans-71.4158.8178.1-55.20000110.7R98 E99 I100V96-R98 HydrophobicContact CG2-CB 4.24Å; V96-R98 PolarHBondContact O-N 3.36Å; V96-E99 HydrophobicContact CG2-CB 4.41Å; V96-E99 HydrophobicContact CG2-CG 4.01Å; V96-E99 PolarHBondContact N-OE2 3.19Å; V96-E99 WeakPolarHBondContact O-CA 3.38Å; V96-E99 WeakPolarHBondContact O-CB 3.38Å; V96-E99 PolarHBondContact O-N 2.91Å; V96-I100 PolarHBondContact O-N 3.3Å
97E88.3Confident89.1Confident156 Ų15651.7 Ų51.773%0.72927%0.266SS*.Hα-helixtrans-43.7-37.5-179.9-173-179.5-155.900114.8I100 S101E97-I100 PolarHBondContact O-N 3.23Å; E97-S101 WeakPolarHBondContact O-CB 3.1Å; E97-S101 PolarHBondContact O-N 3.33Å; E97-S101 PolarHBondContact O-OG 3.28Å
98R89.7Confident88.5Confident202 Ų20251.6 Ų51.676%0.76226%0.264SS*.Hα-helixtrans-67.7-42.1176.2-162.7-167.8-55.4133.93.9113.1V96 S101 A102V96-R98 HydrophobicContact CG2-CB 4.24Å; V96-R98 PolarHBondContact O-N 3.36Å; R98-S101 PolarHBondContact O-N 2.83Å; R98-A102 WeakPolarHBondContact O-CB 3.48Å; R98-A102 PolarHBondContact O-N 3.29Å
99E91.7Very high87.5Confident27 Ų2749.8 Ų49.813%0.12625%0.252CS..Hα-helixtrans-71.6-35.1175.1-66.6171.7129.500111.1H7 Q92 L95 V96 S101 A102 L103H7-E99 IonicContact CE1-OE1 2.94Å; Q92-E99 PolarHBondContact NE2-OE1 2.83Å; L95-E99 HydrophobicContact CB-CB 4Å; L95-E99 HydrophobicContact CD2-CB 4.11Å; V96-E99 HydrophobicContact CG2-CB 4.41Å; V96-E99 HydrophobicContact CG2-CG 4.01Å; V96-E99 PolarHBondContact N-OE2 3.19Å; V96-E99 WeakPolarHBondContact O-CA 3.38Å; V96-E99 WeakPolarHBondContact O-CB 3.38Å; V96-E99 PolarHBondContact O-N 2.91Å; E99-S101 VanDerWaalsContact C-N 3.32Å; E99-A102 PolarHBondContact O-N 3.05Å; E99-L103 VanDerWaalsContact O-CB 3.22Å; E99-L103 WeakPolarHBondContact O-CB 3.16Å; E99-L103 PolarHBondContact O-N 3.42Å
100I91.1Very high86.1Confident26 Ų2654.2 Ų54.213%0.13328%0.279CS..Hα-helixtrans-61.7-43.2171.3-62.2169.9000110.3T36 L95 V96 E97 L103 L104T36-I100 HydrophobicContact CG2-CG2 3.75Å; L95-I100 HydrophobicContact CB-CG1 3.96Å; L95-I100 WeakPolarHBondContact O-CD1 3.31Å; L95-I100 WeakPolarHBondContact O-CG1 3.33Å; V96-I100 PolarHBondContact O-N 3.3Å; E97-I100 PolarHBondContact O-N 3.23Å; I100-L103 WeakPolarHBondContact O-CB 3.24Å; I100-L103 PolarHBondContact O-N 2.73Å; I100-L104 HydrophobicContact CG2-CD1 3.88Å; I100-L104 HydrophobicContact CG2-CG 4.38Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 WeakPolarHBondContact O-CG 3.41Å; I100-L104 PolarHBondContact O-N 2.97Å
101S89.7Confident84.3Confident56 Ų5657.1 Ų57.139%0.39229%0.294SS..Hα-helixtrans-63.7-48.5177.1-59.90000110.8E97 R98 E99 L103 L104 D105E97-S101 WeakPolarHBondContact O-CB 3.1Å; E97-S101 PolarHBondContact O-N 3.33Å; E97-S101 PolarHBondContact O-OG 3.28Å; R98-S101 PolarHBondContact O-N 2.83Å; E99-S101 VanDerWaalsContact C-N 3.32Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 2.86Å; S101-L104 PolarHBondContact O-N 3Å; S101-L104 VanDerWaalsContact O-N 3.1Å; S101-D105 WeakPolarHBondContact O-CB 3.5Å; S101-D105 VanDerWaalsContact O-CG 3.31Å; S101-D105 PolarHBondContact O-N 3.12Å
102A88.2Confident81.7Confident9 Ų960.4 Ų60.47%0.07431%0.314CS..Hα-helixtrans-58.9-36.5174.500000113.4R98 E99 G106 Q107R98-A102 WeakPolarHBondContact O-CB 3.48Å; R98-A102 PolarHBondContact O-N 3.29Å; E99-A102 PolarHBondContact O-N 3.05Å; A102-G106 PolarHBondContact O-N 2.77Å; A102-Q107 HydrophobicContact CB-CB 4.11Å; A102-Q107 HydrophobicContact CB-CG 4.23Å; A102-Q107 WeakPolarHBondContact O-CB 3.24Å; A102-Q107 PolarHBondContact O-N 3.41Å
103L88.7Confident78.8Confident3 Ų367.1 Ų67.12%0.01635%0.35CS..Hα-helixtrans-66.1-40.6173.8-175.872.7000112.5L52 L77 F81 V83 V89 L95 E99 I100 S101 G106L52-L103 HydrophobicContact CD1-CD2 3.68Å; L77-L103 HydrophobicContact CD2-CD1 4.37Å; L77-L103 HydrophobicContact CD2-CD2 4.25Å; F81-L103 HydrophobicContact CB-CD1 3.57Å; F81-L103 HydrophobicContact CB-CG 4Å; F81-L103 HydrophobicContact CD1-CG 4.1Å; F81-L103 HydrophobicContact CD2-CD2 4.05Å; F81-L103 HydrophobicContact CD2-CG 4.33Å; F81-L103 HydrophobicContact CE2-CD2 4.42Å; F81-L103 HydrophobicContact CG-CD1 4.03Å; F81-L103 HydrophobicContact CG-CD2 4.13Å; F81-L103 HydrophobicContact CG-CG 3.89Å; V83-L103 HydrophobicContact CG2-CD1 3.21Å; V89-L103 HydrophobicContact CG1-CD1 4.27Å; L95-L103 HydrophobicContact CD1-CD2 3.98Å; E99-L103 VanDerWaalsContact O-CB 3.22Å; E99-L103 WeakPolarHBondContact O-CB 3.16Å; E99-L103 PolarHBondContact O-N 3.42Å; I100-L103 WeakPolarHBondContact O-CB 3.24Å; I100-L103 PolarHBondContact O-N 2.73Å; S101-L103 VanDerWaalsContact C-N 3.29Å; S101-L103 PolarHBondContact O-N 2.86Å; L103-G106 PolarHBondContact O-N 2.74Å
104L88.4Confident76.2Confident74 Ų7468.6 Ų68.639%0.38736%0.357SS..Hα-helixtrans-74.4-36.8179.6-69.1170.9000112.5P35 T36 F81 I100 S101 G106P35-L104 HydrophobicContact CB-CD1 3.81Å; P35-L104 HydrophobicContact CB-CD2 3.81Å; P35-L104 HydrophobicContact CB-CG 4.5Å; P35-L104 HydrophobicContact CG-CD1 4.33Å; T36-L104 HydrophobicContact CG2-CD2 4.39Å; F81-L104 HydrophobicContact CE1-CD2 3.85Å; F81-L104 HydrophobicContact CZ-CD2 4.26Å; I100-L104 HydrophobicContact CG2-CD1 3.88Å; I100-L104 HydrophobicContact CG2-CG 4.38Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 WeakPolarHBondContact O-CG 3.41Å; I100-L104 PolarHBondContact O-N 2.97Å; S101-L104 PolarHBondContact O-N 3Å; S101-L104 VanDerWaalsContact O-N 3.1Å; L104-G106 PolarHBondContact O-N 2.95Å
105D83.5Confident73.2Confident116 Ų11674.7 Ų74.762%0.6240%0.395SS*.THydrogen-bonded Turntrans-70.4-9.9171.1-69-19.1000112.6S101 Q107S101-D105 WeakPolarHBondContact O-CB 3.5Å; S101-D105 VanDerWaalsContact O-CG 3.31Å; S101-D105 PolarHBondContact O-N 3.12Å; D105-Q107 HydrophobicContact CB-CG 3.96Å; D105-Q107 PolarHBondContact OD2-NE2 2.8Å
106G80Confident70Confident13 Ų1381.8 Ų81.813%0.13443%0.433CS..THydrogen-bonded Turntrans76.117.2-18000000114.4A102 L103 L104 H108 S109 N112A102-G106 PolarHBondContact O-N 2.77Å; L103-G106 PolarHBondContact O-N 2.74Å; L104-G106 PolarHBondContact O-N 2.95Å; G106-H108 PolarHBondContact O-N 2.98Å; G106-S109 WeakPolarHBondContact O-CB 3.45Å; G106-S109 PolarHBondContact O-N 3.13Å; G106-N112 PolarHBondContact O-ND2 3.46Å; G106-N112 PolarHBondContact O-OD1 3.14Å
107Q80.5Confident67.2Low124 Ų12485 Ų8558%0.57945%0.452SS*.THydrogen-bonded Turntrans-61.1-19.3-178.7-57.5179.223.200113.4A102 D105A102-Q107 HydrophobicContact CB-CB 4.11Å; A102-Q107 HydrophobicContact CB-CG 4.23Å; A102-Q107 WeakPolarHBondContact O-CB 3.24Å; A102-Q107 PolarHBondContact O-N 3.41Å; D105-Q107 HydrophobicContact CB-CG 3.96Å; D105-Q107 PolarHBondContact OD2-NE2 2.8Å
108H75.6Confident64.4Low43 Ų4382.8 Ų82.820%0.19945%0.45CS..THydrogen-bonded Turntrans-103.53175.7-53-46.2000113.8V83 G106 V110V83-H108 WeakPolarHBondContact CA-O 3.47Å; V83-H108 HydrophobicContact CG1-CB 4.21Å; V83-H108 HydrophobicContact CG2-CB 4.29Å; G106-H108 PolarHBondContact O-N 2.98Å; H108-V110 PolarHBondContact O-N 2.69Å
109S69Low61.5Low21 Ų2176 Ų7615%0.14744%0.443CS..BIsolated β-bridgetrans-71.8124.5179.4174.40000111.1K82 G106 M111 N112K82-S109 WeakPolarHBondContact O-CA 3.48Å; G106-S109 WeakPolarHBondContact O-CB 3.45Å; G106-S109 PolarHBondContact O-N 3.13Å; S109-M111 PolarHBondContact O-N 3.14Å; S109-M111 PolarHBondContact OG-N 2.55Å; S109-M111 VanDerWaalsContact OG-N 3.17Å; S109-M111 PolarHBondContact OG-O 2.76Å; S109-N112 VanDerWaalsContact CB-OD1 3.27Å; S109-N112 WeakPolarHBondContact CB-OD1 3.4Å; S109-N112 PolarHBondContact OG-OD1 3.46Å
110V61Low58.6Low100 Ų10080.7 Ų80.761%0.60648%0.475SS*.SBendtrans-65.7-6.7172.4-173.90000112.1K82 D84 H108K82-V110 PolarHBondContact O-N 3.44Å; D84-V110 HydrophobicContact CB-CG2 3.61Å; H108-V110 PolarHBondContact O-N 2.69Å
111M53.4Low55.9Low61 Ų6188.3 Ų88.330%0.351%0.507SS..  trans-136.874.4-179.7-63174.36500112.9K82 S109 N113 Y152K82-M111 HydrophobicContact CD-CB 4.32Å; K82-M111 PolarHBondContact NZ-SD 2.98Å; S109-M111 PolarHBondContact O-N 3.14Å; S109-M111 PolarHBondContact OG-N 2.55Å; S109-M111 VanDerWaalsContact OG-N 3.17Å; S109-M111 PolarHBondContact OG-O 2.76Å; M111-N113 PolarHBondContact O-N 3.45Å; M111-Y152 HydrophobicContact CE-CE1 4.1Å; M111-Y152 WeakPolarHBondContact CE-OH 3.24Å; M111-Y152 PolarHBondContact SD-OH 3Å
112N37Very low53.1Low103 Ų10393.1 Ų93.155%0.55153%0.528SS*.  trans-93.777.6164.7-74.6-12.6000110.7G106 S109G106-N112 PolarHBondContact O-ND2 3.46Å; G106-N112 PolarHBondContact O-OD1 3.14Å; S109-N112 VanDerWaalsContact CB-OD1 3.27Å; S109-N112 WeakPolarHBondContact CB-OD1 3.4Å; S109-N112 PolarHBondContact OG-OD1 3.46Å
113N30.3Very low50.5Low152 Ų152100.5 Ų100.581%0.81357%0.565SS**  trans-149.422168.9-102.7-27.7000112.6M111M111-N113 PolarHBondContact O-N 3.45Å
114V36.1Very low47.7Very low93 Ų93107.3 Ų107.356%0.56460%0.602SS**SBendtrans-96.1117.7168.7-179.10000108.4N116 N143V114-N116 PolarHBondContact O-N 3.5Å; V114-N143 HydrophobicContact CG2-CB 4.17Å
115T30Very low45.2Very low130 Ų130112.6 Ų112.680%0.79863%0.625SS**PPolyproline II helixtrans-57.6119-171.4280000114.4
116N26.4Very low42.7Very low149 Ų149113 Ų11380%0.79763%0.627SS**PPolyproline II helixtrans-56.7164.7132.6-81.9-38.3000109.7V114V114-N116 PolarHBondContact O-N 3.5Å
117V31.7Very low40.5Very low127 Ų127120.3 Ų120.377%0.7766%0.655SS**  trans102.6132.3173-175.90000115.8
118T30.6Very low38.1Very low110 Ų110123.8 Ų123.868%0.67567%0.668SS**  trans58.1115.2172.343.60000118.6
119G29.2Very low36.3Very low60 Ų60127.4 Ų127.462%0.61969%0.689SS**  trans-68.4-176.7149.800000111.6K121G119-K121 PolarHBondContact O-N 3.34Å; G119-K121 VanDerWaalsContact O-N 3.12Å
120P31Very low34.5Very low124 Ų124136.1 Ų136.181%0.80573%0.728SS**  trans-58.6119.5-178.9-20.231.9000110.8L122P120-L122 PolarHBondContact O-N 3.44Å; P120-L122 VanDerWaalsContact O-N 3.14Å
121K32.9Very low33.3Very low186 Ų186138.3 Ų138.381%0.80973%0.729SS**  trans-65111.9159.3-78.4-173174.9-176.40106.6G119 L123G119-K121 PolarHBondContact O-N 3.34Å; G119-K121 VanDerWaalsContact O-N 3.12Å; K121-L123 PolarHBondContact O-N 3.22Å
122L31.7Very low32.5Very low157 Ų157140.1 Ų140.182%0.82275%0.745SS**PPolyproline II helixtrans-62.1118.3165.7-69.4168.5000107.3P120P120-L122 PolarHBondContact O-N 3.44Å; P120-L122 VanDerWaalsContact O-N 3.14Å
123L34.3Very low32.9Very low165 Ų165139.1 Ų139.186%0.86475%0.746SS**PPolyproline II helixtrans-82.7129.5153-68.8173.6000106.1K121K121-L123 PolarHBondContact O-N 3.22Å
124N28.9Very low33.8Very low146 Ų146137.1 Ų137.178%0.78173%0.728SS**PPolyproline II helixtrans-66.5143.6171.2-62.6-23.9000108.7
125E35.4Very low35Very low185 Ų185136 Ų13686%0.86472%0.719SS**  -169.2118.4115.9-103.2164.9-158.100111.3
126D31.4Very low36.9Very low125 Ų125135.7 Ų135.767%0.66871%0.712SS**  trans41.4133.2142.4-85.526.6000124.1
127K34.6Very low39.5Very low166 Ų166130.3 Ų130.372%0.72268%0.682SS**  trans78.3108.6146.4-66.7159.1-171.9150.80119.1
128F30.6Very low41.8Very low196 Ų196130.5 Ų130.586%0.8667%0.669SS**  trans41.9100137.3-68.5-87.8000118.9
129D35.9Very low44Very low119 Ų119134.9 Ų134.964%0.63668%0.678SS**  -171.6144122.6-106.2-17.8000111.4K131D129-K131 VanDerWaalsContact C-N 3.34Å; D129-K131 HydrophobicContact CB-CD 3.91Å; D129-K131 HydrophobicContact CB-CG 4.38Å; D129-K131 PolarHBondContact O-N 3.38Å; D129-K131 WeakPolarHBondContact OD2-CE 3.33Å; D129-K131 IonicContact OD2-NZ 2.58Å; D129-K131 PolarHBondContact OD2-NZ 3.08Å
130E33.1Very low46.2Very low205 Ų205133.6 Ų133.696%0.95866%0.657SS**  trans-71.585.5171.8-70.2-163.1128.700111.2
131K34.8Very low48.2Very low146 Ų146129.2 Ų129.264%0.63564%0.635SS**  trans-120.3136.2176.6-78.8159.2-177.8154.20110.8D129 S133D129-K131 VanDerWaalsContact C-N 3.34Å; D129-K131 HydrophobicContact CB-CD 3.91Å; D129-K131 HydrophobicContact CB-CG 4.38Å; D129-K131 PolarHBondContact O-N 3.38Å; D129-K131 WeakPolarHBondContact OD2-CE 3.33Å; D129-K131 IonicContact OD2-NZ 2.58Å; D129-K131 PolarHBondContact OD2-NZ 3.08Å; K131-S133 PolarHBondContact O-N 2.88Å
132P37.3Very low50.2Low99 Ų99127.1 Ų127.164%0.64363%0.628SS**  trans-67.7107.6-171.426.5-34.7000110.6Y134P132-Y134 PolarHBondContact O-N 3.41Å; P132-Y134 VanDerWaalsContact O-N 3.09Å
133S44.1Very low52.4Low82 Ų82123.6 Ų123.657%0.57361%0.61SS**  trans-52.6118.1-177-173.30000111.5K131K131-S133 PolarHBondContact O-N 2.88Å
134Y50.8Low54.6Low109 Ų109117.8 Ų117.843%0.42758%0.58SS.*  trans-101.6107.9166.751.7-83.8000106.1P132 L136 R165 K318 L320P132-Y134 PolarHBondContact O-N 3.41Å; P132-Y134 VanDerWaalsContact O-N 3.09Å; Y134-L136 PolarHBondContact O-N 3.23Å; Y134-R165 CarbonylContact C-O 3.57Å; Y134-R165 WeakPolarHBondContact CA-O 3.29Å; Y134-K318 WeakPolarHBondContact OH-CD 3.48Å; Y134-L320 HydrophobicContact CE2-CD2 4.18Å
135N60.1Low57.4Low69 Ų69113 Ų11337%0.36955%0.554SS.*PPolyproline II helixtrans-68.1129.5175.8-92.7-70.8000109R165 K166 N167N135-R165 PolarHBondContact N-O 3.38Å; N135-K166 PolarHBondContact ND2-O 2.75Å; N135-N167 VanDerWaalsContact CB-O 3.24Å; N135-N167 WeakPolarHBondContact CB-O 3.21Å; N135-N167 VanDerWaalsContact CG-O 3.28Å; N135-N167 PolarHBondContact ND2-O 3.06Å
136L70.4Confident59.9Low124 Ų124104.2 Ų104.265%0.64951%0.512SS*.PPolyproline II helixtrans-62.2150.7178.4-69.7169.5000110.4Y134 R138 G169Y134-L136 PolarHBondContact O-N 3.23Å; L136-R138 PolarHBondContact O-N 3.12Å; L136-G169 WeakPolarHBondContact O-CA 3.38Å
137Q81.7Confident62.7Low36 Ų36100.8 Ų100.817%0.16850%0.497CS..PPolyproline II helixtrans-63.1127.7174-175.3167.3700109.3K139 F163 S171Q137-K139 PolarHBondContact O-N 3.04Å; Q137-F163 HydrophobicContact CB-CB 4.24Å; Q137-F163 HydrophobicContact CB-CD1 3.83Å; Q137-F163 HydrophobicContact CB-CD2 3.7Å; Q137-F163 HydrophobicContact CB-CE1 4.06Å; Q137-F163 HydrophobicContact CB-CE2 3.93Å; Q137-F163 HydrophobicContact CB-CG 3.65Å; Q137-F163 HydrophobicContact CB-CZ 4.11Å; Q137-F163 VanDerWaalsContact CD-CD1 3.46Å; Q137-F163 HydrophobicContact CG-CB 3.72Å; Q137-F163 HydrophobicContact CG-CD1 3.85Å; Q137-F163 HydrophobicContact CG-CD2 4.17Å; Q137-F163 HydrophobicContact CG-CG 3.64Å; Q137-F163 VanDerWaalsContact OE1-CD1 3.27Å; Q137-S171 PolarHBondContact NE2-OG 2.9Å
138R78.8Confident65.4Low131 Ų13193.1 Ų93.149%0.49446%0.464SS..PPolyproline II helixtrans-64.6137.4173.4-57.3-156-54158.48.4108.9L136 I140 C168 G169 N170L136-R138 PolarHBondContact O-N 3.12Å; R138-I140 PolarHBondContact O-N 3.24Å; R138-C168 VanDerWaalsContact CD-O 3.3Å; R138-C168 WeakPolarHBondContact CD-O 3.48Å; R138-C168 WeakPolarHBondContact CG-O 3.14Å; R138-G169 PolarHBondContact N-O 3.36Å; R138-N170 VanDerWaalsContact CZ-OD1 3.23Å; R138-N170 PolarHBondContact NE-OD1 3.07Å; R138-N170 PolarHBondContact NH2-OD1 3.33Å
139K76.4Confident68.1Low202 Ų20283.8 Ų83.888%0.87842%0.423SS*.PPolyproline II helixtrans-53.3127.7173-176176.2-178.2177.10109Q137Q137-K139 PolarHBondContact O-N 3.04Å
140I76.1Confident70.6Confident33 Ų3379 Ų7917%0.16940%0.397CS..PPolyproline II helixtrans-83.4124.5-179.8-58.5174.2000108.4R138 D144 L153 V161 S171R138-I140 PolarHBondContact O-N 3.24Å; I140-D144 VanDerWaalsContact CA-OD2 3.3Å; I140-D144 WeakPolarHBondContact CA-OD2 3.41Å; I140-D144 HydrophobicContact CG2-CB 4.02Å; I140-L153 HydrophobicContact CG2-CB 3.89Å; I140-L153 HydrophobicContact CG2-CD1 4.3Å; I140-V161 HydrophobicContact CD1-CG2 3.86Å; I140-S171 WeakPolarHBondContact CD1-OG 3.34Å; I140-S171 WeakPolarHBondContact CG1-OG 3.49Å
141G73.6Confident73.1Confident33 Ų3370.6 Ų70.634%0.3436%0.358SS..PPolyproline II helixtrans-87.6161.1170.700000112.6N143 D144G141-N143 PolarHBondContact O-N 3.42Å; G141-D144 PolarHBondContact N-OD2 2.86Å; G141-D144 WeakPolarHBondContact O-CB 3.44Å; G141-D144 PolarHBondContact O-N 2.77Å; G141-D144 VanDerWaalsContact O-N 3.07Å
142E74.9Confident75.4Confident142 Ų14267.2 Ų67.266%0.66434%0.341SS*.THydrogen-bonded Turntrans-60.7-35.4178.6-61.1176.2161.600112D144 F154E142-D144 VanDerWaalsContact C-N 3.34Å; E142-F154 HydrophobicContact CB-CD1 4.37Å; E142-F154 HydrophobicContact CG-CD1 4Å; E142-F154 HydrophobicContact CG-CE1 4.03Å
143N76.8Confident77.5Confident82 Ų8262.7 Ų62.744%0.43931%0.312SS..THydrogen-bonded Turntrans-83.81.4177.5-69.7-44.7000114.4V114 G141 I145V114-N143 HydrophobicContact CG2-CB 4.17Å; G141-N143 PolarHBondContact O-N 3.42Å; N143-I145 PolarHBondContact O-N 3.12Å
144D81.4Confident78.7Confident44 Ų4461.9 Ų61.924%0.23530%0.298CS..  trans-71.7131.1-179.4-81.9-21.2000111.8I140 G141 E142 Y152 L153I140-D144 VanDerWaalsContact CA-OD2 3.3Å; I140-D144 WeakPolarHBondContact CA-OD2 3.41Å; I140-D144 HydrophobicContact CG2-CB 4.02Å; G141-D144 PolarHBondContact N-OD2 2.86Å; G141-D144 WeakPolarHBondContact O-CB 3.44Å; G141-D144 PolarHBondContact O-N 2.77Å; G141-D144 VanDerWaalsContact O-N 3.07Å; E142-D144 VanDerWaalsContact C-N 3.34Å; D144-Y152 CarbonylContact O-C 3.56Å; D144-Y152 VanDerWaalsContact O-CA 3.31Å; D144-Y152 WeakPolarHBondContact O-CA 3.5Å; D144-L153 HydrophobicContact CB-CD1 4.12Å; D144-L153 PolarHBondContact O-N 2.76Å
145I86.3Confident79.2Confident45 Ų4559.1 Ų59.123%0.23129%0.292CS..BIsolated β-bridgetrans-116.3137.1-172.9-70.1165.1000110.5N143 P147 Q150 Y152N143-I145 PolarHBondContact O-N 3.12Å; I145-P147 WeakPolarHBondContact O-CD 3.13Å; I145-Q150 VanDerWaalsContact CG2-CA 3.49Å; I145-Q150 HydrophobicContact CG2-CB 4.28Å; I145-Y152 HydrophobicContact CD1-CD1 4.18Å; I145-Y152 HydrophobicContact CD1-CE1 3.74Å; I145-Y152 HydrophobicContact CG1-CD1 3.52Å; I145-Y152 HydrophobicContact CG1-CE1 3.63Å; I145-Y152 HydrophobicContact CG1-CG 4.32Å
146C88.9Confident78.9Confident0 Ų063.1 Ų63.10%031%0.309CS..  trans-71.1112.3172.2-172.10000110.2I148 C149 Q150 E151 L153 H173C146-I148 PolarHBondContact O-N 2.85Å; C146-C149 PolarHBondContact O-N 3.06Å; C146-Q150 WeakPolarHBondContact O-CA 3.2Å; C146-Q150 PolarHBondContact O-N 3.26Å; C146-E151 WeakPolarHBondContact CB-O 3.04Å; C146-E151 PolarHBondContact N-O 2.93Å; C146-L153 HydrophobicContact CB-CD2 3.67Å; C146-H173 WeakPolarHBondContact CB-ND1 3.21Å
147P90.4Very high78.3Confident54 Ų5463.1 Ų63.135%0.35131%0.308SS..THydrogen-bonded Turntrans-63.5-17-175.425.3-37000114.6I145 L172 I200I145-P147 WeakPolarHBondContact O-CD 3.13Å; P147-L172 HydrophobicContact CG-CD2 3.74Å; P147-I200 HydrophobicContact CG-CD1 3.84Å; P147-I200 HydrophobicContact CG-CG1 3.65Å
148I90.1Very high77.3Confident4 Ų466.4 Ų66.42%0.02132%0.319CS..THydrogen-bonded Turntrans-76.8-43.8177.8-58.8169.8000111.3Y28 I29 C146 L172 C176 W180 P199Y28-I148 CarbonylContact C-O 3.57Å; Y28-I148 WeakPolarHBondContact CA-O 3.09Å; Y28-I148 HydrophobicContact CD1-CG2 4.04Å; I29-I148 PolarHBondContact N-O 3.43Å; C146-I148 PolarHBondContact O-N 2.85Å; I148-L172 HydrophobicContact CD1-CD1 4.22Å; I148-L172 HydrophobicContact CD1-CD2 4.27Å; I148-L172 HydrophobicContact CG1-CD2 4.48Å; I148-C176 HydrophobicContact CB-CB 3.82Å; I148-C176 HydrophobicContact CD1-CB 3.72Å; I148-C176 HydrophobicContact CG1-CB 4.36Å; I148-C176 HydrophobicContact CG2-CB 3.85Å; I148-W180 HydrophobicContact CD1-CB 4.02Å; I148-W180 HydrophobicContact CD1-CG 4.49Å; I148-P199 HydrophobicContact CD1-CG 3.84Å; I148-P199 HydrophobicContact CG1-CB 4.3Å; I148-P199 HydrophobicContact CG1-CG 4.15Å
149C88.7Confident76.8Confident0 Ų063.3 Ų63.30%031%0.31CS..THydrogen-bonded Turntrans-118.6-2.6-174.369.50000115.4T26 L27 Y28 C146 E151 H173 C176T26-C149 HydrophobicContact CG2-CB 4.28Å; L27-C149 WeakPolarHBondContact O-CA 3.25Å; Y28-C149 HydrophobicContact CD1-CB 4.44Å; C146-C149 PolarHBondContact O-N 3.06Å; C149-E151 PolarHBondContact O-N 3.38Å; C149-E151 VanDerWaalsContact O-N 3.11Å; C149-H173 PolarHBondContact SG-ND1 3.41Å; C149-C176 PolarHBondContact SG-SG 3.13Å
150Q87.2Confident76.8Confident19 Ų1955.9 Ų55.99%0.08928%0.283CS..  trans55.922.6-179.5-62.2136.136.800115.7W75 R79 R80 I145 C146W75-Q150 VanDerWaalsContact CZ3-NE2 3.31Å; R79-Q150 PolarHBondContact O-OE1 3.45Å; R80-Q150 VanDerWaalsContact CB-OE1 3.28Å; I145-Q150 VanDerWaalsContact CG2-CA 3.49Å; I145-Q150 HydrophobicContact CG2-CB 4.28Å; C146-Q150 WeakPolarHBondContact O-CA 3.2Å; C146-Q150 PolarHBondContact O-N 3.26Å
151E85.5Confident77.1Confident29 Ų2954.5 Ų54.514%0.13628%0.276CS..  trans-96.8143.7169.7-68.8157.1-166.900109.2T26 R79 C146 C149 R175T26-E151 WeakPolarHBondContact CB-OE1 3.43Å; T26-E151 WeakPolarHBondContact CG2-OE1 3.29Å; T26-E151 PolarHBondContact OG1-OE1 3.16Å; R79-E151 IonicContact CZ-OE1 3.87Å; R79-E151 VanDerWaalsContact NH1-CG 3.31Å; R79-E151 IonicContact NH1-OE1 3.84Å; R79-E151 IonicContact NH2-OE1 3.14Å; R79-E151 PolarHBondContact NH2-OE1 2.91Å; C146-E151 WeakPolarHBondContact CB-O 3.04Å; C146-E151 PolarHBondContact N-O 2.93Å; C149-E151 PolarHBondContact O-N 3.38Å; C149-E151 VanDerWaalsContact O-N 3.11Å; E151-R175 IonicContact OE2-CZ 3.46Å; E151-R175 IonicContact OE2-NH1 2.77Å; E151-R175 PolarHBondContact OE2-NH1 3.5Å; E151-R175 IonicContact OE2-NH2 3.23Å; E151-R175 PolarHBondContact OE2-NH2 2.83Å
152Y84Confident77.8Confident74 Ų7453 Ų5329%0.2926%0.26SS..BIsolated β-bridgetrans-57.7143.7177.7-57.2-80.7000111.3K82 M111 D144 I145 F154 T155 H173K82-Y152 PolarHBondContact NZ-OH 3.27Å; M111-Y152 HydrophobicContact CE-CE1 4.1Å; M111-Y152 WeakPolarHBondContact CE-OH 3.24Å; M111-Y152 PolarHBondContact SD-OH 3Å; D144-Y152 CarbonylContact O-C 3.56Å; D144-Y152 VanDerWaalsContact O-CA 3.31Å; D144-Y152 WeakPolarHBondContact O-CA 3.5Å; I145-Y152 HydrophobicContact CD1-CD1 4.18Å; I145-Y152 HydrophobicContact CD1-CE1 3.74Å; I145-Y152 HydrophobicContact CG1-CD1 3.52Å; I145-Y152 HydrophobicContact CG1-CE1 3.63Å; I145-Y152 HydrophobicContact CG1-CG 4.32Å; Y152-F154 PolarHBondContact O-N 3.42Å; Y152-T155 HydrophobicContact CD2-CG2 4.38Å; Y152-H173 PolarHBondContact O-CE1 2.9Å; Y152-H173 VanDerWaalsContact O-CE1 3.29Å; Y152-H173 PolarHBondContact O-NE2 3.49Å
153L80.8Confident78.4Confident5 Ų546.8 Ų46.83%0.02623%0.231CC..SBendtrans-73.9-7.5171-60.6179.6000112.4I140 D144 C146 V161 N325I140-L153 HydrophobicContact CG2-CB 3.89Å; I140-L153 HydrophobicContact CG2-CD1 4.3Å; D144-L153 HydrophobicContact CB-CD1 4.12Å; D144-L153 PolarHBondContact O-N 2.76Å; C146-L153 HydrophobicContact CB-CD2 3.67Å; L153-V161 HydrophobicContact CD2-CG1 4.04Å; L153-N325 PolarHBondContact O-ND2 3.5Å
154F69.8Low79.1Confident65 Ų6542.9 Ų42.929%0.28521%0.21SC..SBendtrans-137.962.7-173-157.9-93.1000110.7E142 Y152 R158E142-F154 HydrophobicContact CB-CD1 4.37Å; E142-F154 HydrophobicContact CG-CD1 4Å; E142-F154 HydrophobicContact CG-CE1 4.03Å; Y152-F154 PolarHBondContact O-N 3.42Å; F154-R158 VanDerWaalsContact CE2-CZ 3.47Å; F154-R158 VanDerWaalsContact CE2-NE 3.34Å; F154-R158 VanDerWaalsContact CZ-NH2 3.28Å
155T61.8Low79.2Confident50 Ų5042.1 Ų42.131%0.30720%0.204SC..SBendtrans-87.8172.4166.761.20000110.8Y152 I157 R158Y152-T155 HydrophobicContact CD2-CG2 4.38Å; T155-I157 PolarHBondContact O-N 3.11Å; T155-I157 VanDerWaalsContact O-N 3.12Å; T155-I157 PolarHBondContact OG1-O 3.18Å; T155-R158 PolarHBondContact O-N 3.35Å
156Q53.4Low79.2Confident153 Ų15342.9 Ų42.972%0.71521%0.205SC*.SBendtrans-49.8-34.1171-68.8174.4-1500112.7
157I58.2Low79Confident124 Ų12446.6 Ų46.664%0.63623%0.225SC*.SBendtrans-102.784.2173.4-55.1176000108.1T155 H159T155-I157 PolarHBondContact O-N 3.11Å; T155-I157 VanDerWaalsContact O-N 3.12Å; T155-I157 PolarHBondContact OG1-O 3.18Å; I157-H159 PolarHBondContact O-N 3.22Å
158R60.3Low79Confident105 Ų10545.6 Ų45.640%0.39622%0.219SC..  trans-59.595.3178.3-67.1-169.3-169.2160.311.3111.4F154 T155 P324F154-R158 VanDerWaalsContact CE2-CZ 3.47Å; F154-R158 VanDerWaalsContact CE2-NE 3.34Å; F154-R158 VanDerWaalsContact CZ-NH2 3.28Å; T155-R158 PolarHBondContact O-N 3.35Å; R158-P324 PolarHBondContact NH1-O 3.48Å
159H67.9Low78.8Confident66 Ų6645.5 Ų45.531%0.30622%0.219SC..  trans-66.3139.8170.5-65.7-55.9000110.1I157 R175I157-H159 PolarHBondContact O-N 3.22Å; H159-R175 PolarHBondContact CD2-NH2 2.67Å; H159-R175 VanDerWaalsContact CD2-NH2 3.27Å
160P76.7Confident78.7Confident47 Ų4746.9 Ų46.931%0.30523%0.227SC..  trans-68.6143.1-174.930.1-36.7000111.1I174 N218P160-I174 HydrophobicContact CB-CD1 3.99Å; P160-I174 HydrophobicContact CG-CD1 4.45Å; P160-I174 WeakPolarHBondContact O-CB 3.21Å; P160-I174 WeakPolarHBondContact O-CG1 3.47Å; P160-I174 PolarHBondContact O-N 3.46Å; P160-N218 WeakPolarHBondContact CB-OD1 3.11Å; P160-N218 HydrophobicContact CG-CB 4.06Å; P160-N218 WeakPolarHBondContact CG-OD1 3.3Å
161V82.7Confident78.8Confident4 Ų446.3 Ų46.32%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-119.7153.7-173.1-57.70000112.8I140 L153 L172 I174 N325I140-V161 HydrophobicContact CD1-CG2 3.86Å; L153-V161 HydrophobicContact CD2-CG1 4.04Å; V161-L172 CarbonylContact C-O 3.37Å; V161-L172 WeakPolarHBondContact CA-O 3.21Å; V161-L172 WeakPolarHBondContact CB-O 3.29Å; V161-I174 VanDerWaalsContact C-CG1 3.49Å; V161-N325 HydrophobicContact CG2-CB 3.6Å
162T87.3Confident79Confident0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-126.4162.7168.4-1770000109.1R165 S171 L172 I174 M177 F205 L211 E214T162-R165 PolarHBondContact OG1-NH1 2.93Å; T162-R165 VanDerWaalsContact OG1-NH1 3.14Å; T162-S171 CarbonylContact O-C 3.58Å; T162-S171 WeakPolarHBondContact O-CA 3.2Å; T162-L172 PolarHBondContact N-O 2.94Å; T162-L172 PolarHBondContact O-N 2.95Å; T162-I174 HydrophobicContact CG2-CG1 4.02Å; T162-M177 HydrophobicContact CG2-CB 3.76Å; T162-M177 HydrophobicContact CG2-CG 3.85Å; T162-F205 HydrophobicContact CG2-CE1 3.91Å; T162-F205 HydrophobicContact CG2-CZ 4.03Å; T162-L211 HydrophobicContact CG2-CD2 4.29Å; T162-E214 VanDerWaalsContact CB-OE2 3.24Å; T162-E214 WeakPolarHBondContact CB-OE2 3.26Å; T162-E214 PolarHBondContact OG1-OE1 3.12Å; T162-E214 PolarHBondContact OG1-OE2 3.36Å
163F88.9Confident79.1Confident13 Ų1341.4 Ų41.46%0.05720%0.204CC..EExtended strand (participates in β ladder)trans-136.8156.5-171.769.3-83.8000113.9Q137 R165 N170 F205Q137-F163 HydrophobicContact CB-CB 4.24Å; Q137-F163 HydrophobicContact CB-CD1 3.83Å; Q137-F163 HydrophobicContact CB-CD2 3.7Å; Q137-F163 HydrophobicContact CB-CE1 4.06Å; Q137-F163 HydrophobicContact CB-CE2 3.93Å; Q137-F163 HydrophobicContact CB-CG 3.65Å; Q137-F163 HydrophobicContact CB-CZ 4.11Å; Q137-F163 VanDerWaalsContact CD-CD1 3.46Å; Q137-F163 HydrophobicContact CG-CB 3.72Å; Q137-F163 HydrophobicContact CG-CD1 3.85Å; Q137-F163 HydrophobicContact CG-CD2 4.17Å; Q137-F163 HydrophobicContact CG-CG 3.64Å; Q137-F163 VanDerWaalsContact OE1-CD1 3.27Å; F163-R165 HydrophobicContact CD2-CG 4.07Å; F163-R165 HydrophobicContact CE2-CB 4.34Å; F163-R165 HydrophobicContact CE2-CG 3.58Å; F163-R165 HydrophobicContact CZ-CG 3.82Å; F163-R165 PolarHBondContact O-N 3.47Å; F163-R165 VanDerWaalsContact O-N 3.13Å; F163-R165 PolarHBondContact O-NH1 3.01Å; F163-N170 CarbonylContact C-O 3.55Å; F163-N170 WeakPolarHBondContact CA-O 3.43Å; F163-N170 WeakPolarHBondContact CB-O 3.24Å; F163-F205 VanDerWaalsContact C-CE1 3.44Å; F163-F205 WeakPolarHBondContact O-CE1 3.15Å; F163-F205 WeakPolarHBondContact O-CZ 3.31Å
164C90.2Very high79.4Confident0 Ų041.7 Ų41.70%021%0.206CC..  trans-69.6102.7176.8176.50000110.1C168 G169 N170 D204 F205C164-C168 PolarHBondContact SG-N 3.25Å; C164-G169 VanDerWaalsContact O-CA 3.26Å; C164-G169 WeakPolarHBondContact O-CA 3.3Å; C164-G169 PolarHBondContact O-N 3.22Å; C164-N170 PolarHBondContact N-O 3.32Å; C164-D204 PolarHBondContact SG-O 3.5Å; C164-D204 VanDerWaalsContact SG-O 3.39Å; C164-F205 HydrophobicContact CB-CD2 3.61Å; C164-F205 HydrophobicContact CB-CE2 3.77Å; C164-F205 HydrophobicContact CB-CG 4.35Å; C164-F205 VanDerWaalsContact N-CE2 3.28Å
165R85Confident80.1Confident27 Ų2742.1 Ų42.110%0.10221%0.206CC..THydrogen-bonded Turntrans-79.7-13.9-173.6-70.2165.4169.480.5-12.6114.4Y134 N135 T162 F163 F205 E214 E313Y134-R165 CarbonylContact C-O 3.57Å; Y134-R165 WeakPolarHBondContact CA-O 3.29Å; N135-R165 PolarHBondContact N-O 3.38Å; T162-R165 PolarHBondContact OG1-NH1 2.93Å; T162-R165 VanDerWaalsContact OG1-NH1 3.14Å; F163-R165 HydrophobicContact CD2-CG 4.07Å; F163-R165 HydrophobicContact CE2-CB 4.34Å; F163-R165 HydrophobicContact CE2-CG 3.58Å; F163-R165 HydrophobicContact CZ-CG 3.82Å; F163-R165 PolarHBondContact O-N 3.47Å; F163-R165 VanDerWaalsContact O-N 3.13Å; F163-R165 PolarHBondContact O-NH1 3.01Å; R165-F205 PolarHBondContact N-O 3.28Å; R165-E214 IonicContact CZ-OE1 3.67Å; R165-E214 IonicContact NH1-OE1 2.88Å; R165-E214 IonicContact NH1-OE2 3.18Å; R165-E214 IonicContact NH2-OE1 3.79Å; R165-E214 PolarHBondContact NH2-OE1 3.16Å; R165-E214 IonicContact NH2-OE2 2.68Å; R165-E313 IonicContact NE-OE2 3.18Å; R165-E313 IonicContact NH2-OE1 3.24Å; R165-E313 PolarHBondContact NH2-OE1 2.84Å; R165-E313 IonicContact NH2-OE2 3.76Å
166K84.9Confident81.5Confident61 Ų6139.8 Ų39.827%0.26519%0.191SC..THydrogen-bonded Turntrans-103.9-42.2-175.9-65.2-60.8-168.2173.80113.9N135 Y195 D204N135-K166 PolarHBondContact ND2-O 2.75Å; K166-Y195 HydrophobicContact CD-CE1 4.44Å; K166-Y195 WeakPolarHBondContact CE-OH 3.31Å; K166-Y195 HydrophobicContact CG-CD1 4.5Å; K166-Y195 HydrophobicContact CG-CE1 4.04Å; K166-D204 HydrophobicContact CB-CB 4.22Å; K166-D204 HydrophobicContact CG-CB 4.13Å
167N86Confident83.4Confident78 Ų7832.5 Ų32.542%0.41716%0.157SC..THydrogen-bonded Turntrans-117.6-97.3179.7-79.969.7000112.8N135 G169 E203N135-N167 VanDerWaalsContact CB-O 3.24Å; N135-N167 WeakPolarHBondContact CB-O 3.21Å; N135-N167 VanDerWaalsContact CG-O 3.28Å; N135-N167 PolarHBondContact ND2-O 3.06Å; N167-G169 PolarHBondContact O-N 3.33Å; N167-E203 HydrophobicContact CB-CB 4.11Å; N167-E203 WeakPolarHBondContact OD1-CB 3.25Å
168C90.1Very high84.9Confident34 Ų3427.9 Ų27.923%0.2313%0.132CC..THydrogen-bonded Turntrans-75.10.7-156.965.50000116.7R138 C164 N170 C201R138-C168 VanDerWaalsContact CD-O 3.3Å; R138-C168 WeakPolarHBondContact CD-O 3.48Å; R138-C168 WeakPolarHBondContact CG-O 3.14Å; C164-C168 PolarHBondContact SG-N 3.25Å; C168-N170 PolarHBondContact O-N 3.12Å; C168-C201 HydrophobicContact CB-CB 3.83Å; C168-C201 PolarHBondContact SG-SG 3.39Å
169G86.1Confident86.3Confident2 Ų224.1 Ų24.12%0.02112%0.121CC..  trans61.70.3-178.700000115.4L136 R138 C164 N167L136-G169 WeakPolarHBondContact O-CA 3.38Å; R138-G169 PolarHBondContact N-O 3.36Å; C164-G169 VanDerWaalsContact O-CA 3.26Å; C164-G169 WeakPolarHBondContact O-CA 3.3Å; C164-G169 PolarHBondContact O-N 3.22Å; N167-G169 PolarHBondContact O-N 3.33Å
170N86.2Confident87.5Confident29 Ų2922.3 Ų22.316%0.15511%0.112CC..  trans-71.4146.6-171.1-92.1-44.1000113.1R138 F163 C164 C168 I200R138-N170 VanDerWaalsContact CZ-OD1 3.23Å; R138-N170 PolarHBondContact NE-OD1 3.07Å; R138-N170 PolarHBondContact NH2-OD1 3.33Å; F163-N170 CarbonylContact C-O 3.55Å; F163-N170 WeakPolarHBondContact CA-O 3.43Å; F163-N170 WeakPolarHBondContact CB-O 3.24Å; C164-N170 PolarHBondContact N-O 3.32Å; C168-N170 PolarHBondContact O-N 3.12Å; N170-I200 HydrophobicContact CB-CD1 3.43Å; N170-I200 VanDerWaalsContact CB-CD1 3.43Å
171S88.8Confident88.3Confident6 Ų620.1 Ų20.14%0.04210%0.097CC..EExtended strand (participates in β ladder)trans-94.8148.6-175.2-61.70000112.5Q137 I140 T162Q137-S171 PolarHBondContact NE2-OG 2.9Å; I140-S171 WeakPolarHBondContact CD1-OG 3.34Å; I140-S171 WeakPolarHBondContact CG1-OG 3.49Å; T162-S171 CarbonylContact O-C 3.58Å; T162-S171 WeakPolarHBondContact O-CA 3.2Å
172L89.5Confident88.6Confident0 Ų021.3 Ų21.30%010%0.103CC..EExtended strand (participates in β ladder)trans-142.5144.9179.1-63174.3000109.4P147 I148 V161 T162 I174 M177 P199 I200 F205P147-L172 HydrophobicContact CG-CD2 3.74Å; I148-L172 HydrophobicContact CD1-CD1 4.22Å; I148-L172 HydrophobicContact CD1-CD2 4.27Å; I148-L172 HydrophobicContact CG1-CD2 4.48Å; V161-L172 CarbonylContact C-O 3.37Å; V161-L172 WeakPolarHBondContact CA-O 3.21Å; V161-L172 WeakPolarHBondContact CB-O 3.29Å; T162-L172 PolarHBondContact N-O 2.94Å; T162-L172 PolarHBondContact O-N 2.95Å; L172-I174 PolarHBondContact O-N 3.31Å; L172-M177 HydrophobicContact CD1-CB 4.46Å; L172-M177 HydrophobicContact CD1-CG 4.47Å; L172-M177 HydrophobicContact CD1-SD 3.58Å; L172-M177 VanDerWaalsContact CD1-SD 3.58Å; L172-P199 HydrophobicContact CD1-CG 3.66Å; L172-I200 HydrophobicContact CD2-CD1 4.2Å; L172-F205 HydrophobicContact CD1-CD2 4.29Å; L172-F205 HydrophobicContact CD1-CE2 3.43Å; L172-F205 VanDerWaalsContact CD1-CE2 3.43Å; L172-F205 HydrophobicContact CD1-CZ 3.76Å; L172-F205 HydrophobicContact CG-CE2 4.13Å; L172-F205 HydrophobicContact CG-CZ 4.33Å
173H86.6Confident88.7Confident0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-56133.1166.7-67.9135.4000111.1C146 C149 Y152 R175 C176 M177C146-H173 WeakPolarHBondContact CB-ND1 3.21Å; C149-H173 PolarHBondContact SG-ND1 3.41Å; Y152-H173 PolarHBondContact O-CE1 2.9Å; Y152-H173 VanDerWaalsContact O-CE1 3.29Å; Y152-H173 PolarHBondContact O-NE2 3.49Å; H173-R175 VanDerWaalsContact C-N 3.26Å; H173-R175 HydrophobicContact CB-CG 3.97Å; H173-R175 PolarHBondContact O-N 3.01Å; H173-C176 HydrophobicContact CB-CB 4.06Å; H173-C176 WeakPolarHBondContact O-CB 3.49Å; H173-C176 PolarHBondContact O-N 3.07Å; H173-M177 PolarHBondContact O-N 2.93Å
174I86.3Confident88.8Confident12 Ų1223.1 Ų23.16%0.06211%0.11CC..Hα-helixtrans-59.2-38.3179.7-70.2-179.4000111.2P160 V161 T162 L172 C176 M177 K178 E214 F215 N218P160-I174 HydrophobicContact CB-CD1 3.99Å; P160-I174 HydrophobicContact CG-CD1 4.45Å; P160-I174 WeakPolarHBondContact O-CB 3.21Å; P160-I174 WeakPolarHBondContact O-CG1 3.47Å; P160-I174 PolarHBondContact O-N 3.46Å; V161-I174 VanDerWaalsContact C-CG1 3.49Å; T162-I174 HydrophobicContact CG2-CG1 4.02Å; L172-I174 PolarHBondContact O-N 3.31Å; I174-C176 VanDerWaalsContact C-N 3.32Å; I174-C176 PolarHBondContact O-N 3.23Å; I174-M177 PolarHBondContact O-N 3.3Å; I174-K178 WeakPolarHBondContact O-CB 3.16Å; I174-K178 PolarHBondContact O-N 2.83Å; I174-E214 HydrophobicContact CD1-CB 4.36Å; I174-F215 HydrophobicContact CG2-CD1 3.65Å; I174-F215 HydrophobicContact CG2-CE1 4.22Å; I174-N218 VanDerWaalsContact CD1-ND2 3.35Å; I174-N218 WeakPolarHBondContact CD1-ND2 3.39Å
175R86.2Confident88.7Confident74 Ų7424.2 Ų24.228%0.27912%0.115SC..Hα-helixtrans-58-39.9172.456.5173.4171.8134.59.7113E151 H159 H173 K178 V179E151-R175 IonicContact OE2-CZ 3.46Å; E151-R175 IonicContact OE2-NH1 2.77Å; E151-R175 PolarHBondContact OE2-NH1 3.5Å; E151-R175 IonicContact OE2-NH2 3.23Å; E151-R175 PolarHBondContact OE2-NH2 2.83Å; H159-R175 PolarHBondContact CD2-NH2 2.67Å; H159-R175 VanDerWaalsContact CD2-NH2 3.27Å; H173-R175 VanDerWaalsContact C-N 3.26Å; H173-R175 HydrophobicContact CB-CG 3.97Å; H173-R175 PolarHBondContact O-N 3.01Å; R175-K178 WeakPolarHBondContact O-CB 3.35Å; R175-K178 PolarHBondContact O-N 2.89Å; R175-V179 PolarHBondContact O-N 3.37Å
176C90.7Very high88.8Confident0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-76.1-41.9-179.8-61.80000111.6I148 C149 H173 I174 K178 V179 W180I148-C176 HydrophobicContact CB-CB 3.82Å; I148-C176 HydrophobicContact CD1-CB 3.72Å; I148-C176 HydrophobicContact CG1-CB 4.36Å; I148-C176 HydrophobicContact CG2-CB 3.85Å; C149-C176 PolarHBondContact SG-SG 3.13Å; H173-C176 HydrophobicContact CB-CB 4.06Å; H173-C176 WeakPolarHBondContact O-CB 3.49Å; H173-C176 PolarHBondContact O-N 3.07Å; I174-C176 VanDerWaalsContact C-N 3.32Å; I174-C176 PolarHBondContact O-N 3.23Å; C176-K178 PolarHBondContact O-N 3.36Å; C176-V179 PolarHBondContact O-N 3.21Å; C176-W180 WeakPolarHBondContact O-CB 3.4Å; C176-W180 PolarHBondContact O-N 2.8Å
177M93Very high88.8Confident0 Ų032.2 Ų32.20%015%0.152CC..Hα-helixtrans-63-30.7173.9-168.360.6-167.800111.4T162 L172 H173 I174 W180 T181 V196 F205 L211 F215T162-M177 HydrophobicContact CG2-CB 3.76Å; T162-M177 HydrophobicContact CG2-CG 3.85Å; L172-M177 HydrophobicContact CD1-CB 4.46Å; L172-M177 HydrophobicContact CD1-CG 4.47Å; L172-M177 HydrophobicContact CD1-SD 3.58Å; L172-M177 VanDerWaalsContact CD1-SD 3.58Å; H173-M177 PolarHBondContact O-N 2.93Å; I174-M177 PolarHBondContact O-N 3.3Å; M177-W180 HydrophobicContact SD-CG 4.46Å; M177-T181 WeakPolarHBondContact O-CB 3.49Å; M177-T181 PolarHBondContact O-N 2.78Å; M177-T181 PolarHBondContact O-OG1 2.68Å; M177-V196 HydrophobicContact CE-CB 4.05Å; M177-V196 HydrophobicContact CE-CG1 3.58Å; M177-F205 HydrophobicContact CE-CB 3.93Å; M177-F205 HydrophobicContact CE-CD1 3.54Å; M177-F205 HydrophobicContact CE-CD2 4.15Å; M177-F205 HydrophobicContact CE-CE1 3.98Å; M177-F205 HydrophobicContact CE-CG 3.61Å; M177-F205 HydrophobicContact CE-CZ 4.46Å; M177-F205 HydrophobicContact CG-CE1 4.15Å; M177-F205 HydrophobicContact CG-CZ 4.41Å; M177-F205 HydrophobicContact SD-CD1 4.27Å; M177-F205 HydrophobicContact SD-CD2 4.39Å; M177-F205 HydrophobicContact SD-CE1 4.15Å; M177-F205 HydrophobicContact SD-CE2 4.29Å; M177-F205 HydrophobicContact SD-CG 4.36Å; M177-F205 HydrophobicContact SD-CZ 4.14Å; M177-L211 HydrophobicContact CE-CD1 3.69Å; M177-L211 HydrophobicContact CE-CD2 4.31Å; M177-L211 HydrophobicContact CG-CD2 3.88Å; M177-F215 HydrophobicContact CB-CE1 4.3Å; M177-F215 HydrophobicContact CG-CE1 4.49Å; M177-F215 HydrophobicContact CG-CZ 4.45Å
178K90.5Very high88.7Confident28 Ų2833.3 Ų33.312%0.12216%0.158CC..Hα-helixtrans-60.8-55.9168.9-173.4-172.2174.7-171.80111.5I174 R175 C176 W180 T181 E182 F215 H233 M235I174-K178 WeakPolarHBondContact O-CB 3.16Å; I174-K178 PolarHBondContact O-N 2.83Å; R175-K178 WeakPolarHBondContact O-CB 3.35Å; R175-K178 PolarHBondContact O-N 2.89Å; C176-K178 PolarHBondContact O-N 3.36Å; K178-W180 VanDerWaalsContact C-N 3.26Å; K178-W180 PolarHBondContact O-N 3.46Å; K178-T181 CarbonylContact O-C 3.4Å; K178-T181 WeakPolarHBondContact O-CA 3.17Å; K178-T181 WeakPolarHBondContact O-CB 3.39Å; K178-T181 PolarHBondContact O-N 2.93Å; K178-E182 VanDerWaalsContact CE-OE1 3.3Å; K178-E182 WeakPolarHBondContact CE-OE1 3.4Å; K178-E182 HydrophobicContact CG-CG 4.44Å; K178-E182 VanDerWaalsContact O-CG 3.24Å; K178-E182 WeakPolarHBondContact O-CG 3.35Å; K178-E182 PolarHBondContact O-N 3.4Å; K178-F215 HydrophobicContact CB-CD1 3.78Å; K178-F215 HydrophobicContact CB-CD2 4.31Å; K178-F215 HydrophobicContact CB-CE1 3.69Å; K178-F215 HydrophobicContact CB-CE2 4.21Å; K178-F215 HydrophobicContact CB-CG 4.13Å; K178-F215 HydrophobicContact CB-CZ 3.92Å; K178-F215 HydrophobicContact CG-CD1 4.33Å; K178-F215 HydrophobicContact CG-CD2 4.1Å; K178-F215 HydrophobicContact CG-CE1 4.49Å; K178-F215 HydrophobicContact CG-CE2 4.25Å; K178-F215 HydrophobicContact CG-CG 4.16Å; K178-F215 HydrophobicContact CG-CZ 4.46Å; K178-F215 VanDerWaalsContact N-CE1 3.34Å; K178-H233 PolarHBondContact NZ-O 3.27Å; K178-M235 HydrophobicContact CG-CG 4.17Å; K178-M235 HydrophobicContact CG-SD 4.48Å
179V89.5Confident88.4Confident25 Ų2536.1 Ų36.115%0.15218%0.175CC..Hα-helixtrans-54.2-44.1179172.20000111.4Y28 L30 R175 C176 E182 Y183Y28-V179 HydrophobicContact CD1-CB 4.31Å; Y28-V179 HydrophobicContact CD1-CG1 4.28Å; Y28-V179 HydrophobicContact CD1-CG2 4.14Å; Y28-V179 HydrophobicContact CE1-CG2 4.12Å; Y28-V179 HydrophobicContact CG-CG1 4.16Å; L30-V179 HydrophobicContact CD2-CG1 3.71Å; R175-V179 PolarHBondContact O-N 3.37Å; C176-V179 PolarHBondContact O-N 3.21Å; V179-E182 PolarHBondContact O-N 2.87Å; V179-Y183 PolarHBondContact O-N 3.31Å
180W93.3Very high88.2Confident29 Ų2937.1 Ų37.111%0.1118%0.18CC..Hα-helixtrans-62.5-43175.6178.7-99.2000113L30 I148 C176 M177 K178 Y183 Q184 K197 P199L30-W180 WeakPolarHBondContact O-CZ3 3.39Å; I148-W180 HydrophobicContact CD1-CB 4.02Å; I148-W180 HydrophobicContact CD1-CG 4.49Å; C176-W180 WeakPolarHBondContact O-CB 3.4Å; C176-W180 PolarHBondContact O-N 2.8Å; M177-W180 HydrophobicContact SD-CG 4.46Å; K178-W180 VanDerWaalsContact C-N 3.26Å; K178-W180 PolarHBondContact O-N 3.46Å; W180-Y183 PolarHBondContact O-N 3.23Å; W180-Q184 VanDerWaalsContact CZ2-NE2 3.27Å; W180-Q184 PolarHBondContact O-N 3.39Å; W180-K197 PolarHBondContact NE1-O 2.85Å; W180-P199 HydrophobicContact CD2-CB 4.15Å; W180-P199 HydrophobicContact CD2-CG 3.77Å; W180-P199 HydrophobicContact CE3-CB 4.28Å; W180-P199 HydrophobicContact CE3-CG 4.33Å; W180-P199 HydrophobicContact CG-CG 3.96Å; W180-P199 HydrophobicContact CH2-CB 4.12Å; W180-P199 HydrophobicContact CZ2-CB 3.97Å; W180-P199 HydrophobicContact CZ2-CG 4.15Å; W180-P199 HydrophobicContact CZ3-CB 4.25Å
181T91.8Very high87.6Confident0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-64.1-39.3172.9-63.30000112.4M177 K178 Y183 R185 V196 L208 F215 M235M177-T181 WeakPolarHBondContact O-CB 3.49Å; M177-T181 PolarHBondContact O-N 2.78Å; M177-T181 PolarHBondContact O-OG1 2.68Å; K178-T181 CarbonylContact O-C 3.4Å; K178-T181 WeakPolarHBondContact O-CA 3.17Å; K178-T181 WeakPolarHBondContact O-CB 3.39Å; K178-T181 PolarHBondContact O-N 2.93Å; T181-Y183 VanDerWaalsContact C-N 3.28Å; T181-Y183 PolarHBondContact O-N 3.46Å; T181-R185 HydrophobicContact CG2-CG 4.41Å; T181-R185 WeakPolarHBondContact O-CB 3.05Å; T181-R185 VanDerWaalsContact O-CG 3.3Å; T181-R185 WeakPolarHBondContact O-CG 3.33Å; T181-R185 PolarHBondContact O-N 3.45Å; T181-V196 HydrophobicContact CG2-CG2 3.98Å; T181-L208 HydrophobicContact CG2-CD1 3.42Å; T181-L208 VanDerWaalsContact CG2-CD1 3.42Å; T181-F215 HydrophobicContact CG2-CE2 4.17Å; T181-M235 HydrophobicContact CG2-SD 4.44Å
182E89.3Confident86.9Confident30 Ų3039.5 Ų39.514%0.1420%0.2CC..Hα-helixtrans-62.8-37.5173.2-44.4-15416400111.1K45 K178 V179 K186 M235K45-E182 IonicContact NZ-OE2 2.7Å; K178-E182 VanDerWaalsContact CE-OE1 3.3Å; K178-E182 WeakPolarHBondContact CE-OE1 3.4Å; K178-E182 HydrophobicContact CG-CG 4.44Å; K178-E182 VanDerWaalsContact O-CG 3.24Å; K178-E182 WeakPolarHBondContact O-CG 3.35Å; K178-E182 PolarHBondContact O-N 3.4Å; V179-E182 PolarHBondContact O-N 2.87Å; E182-K186 WeakPolarHBondContact O-CD 3.48Å; E182-K186 VanDerWaalsContact O-CG 3.25Å; E182-K186 WeakPolarHBondContact O-CG 3.24Å; E182-K186 PolarHBondContact O-N 3.05Å; E182-M235 HydrophobicContact CB-CE 4.23Å; E182-M235 HydrophobicContact CG-CE 3.59Å; E182-M235 HydrophobicContact CG-SD 4Å
183Y90.3Very high86.2Confident19 Ų1946.2 Ų46.28%0.07523%0.233CC..Hα-helixtrans-67.9-49.6177.2175.7-118.2000111.8L30 K31 V179 W180 T181 R185 K186 Q187L30-Y183 HydrophobicContact CB-CD1 4.2Å; L30-Y183 HydrophobicContact CB-CD2 4.42Å; L30-Y183 HydrophobicContact CB-CE1 4.42Å; L30-Y183 HydrophobicContact CB-CG 4.22Å; L30-Y183 HydrophobicContact CD1-CD2 4.16Å; L30-Y183 HydrophobicContact CD1-CG 4.47Å; L30-Y183 VanDerWaalsContact O-CD1 3.26Å; L30-Y183 WeakPolarHBondContact O-CD1 2.93Å; L30-Y183 WeakPolarHBondContact O-CE1 3.25Å; K31-Y183 HydrophobicContact CB-CE1 4.33Å; K31-Y183 WeakPolarHBondContact CD-OH 3.47Å; V179-Y183 PolarHBondContact O-N 3.31Å; W180-Y183 PolarHBondContact O-N 3.23Å; T181-Y183 VanDerWaalsContact C-N 3.28Å; T181-Y183 PolarHBondContact O-N 3.46Å; Y183-R185 PolarHBondContact O-N 3.44Å; Y183-K186 WeakPolarHBondContact O-CB 3.27Å; Y183-K186 PolarHBondContact O-N 2.75Å; Y183-Q187 HydrophobicContact CD2-CG 4.26Å; Y183-Q187 HydrophobicContact CE1-CG 4.38Å; Y183-Q187 HydrophobicContact CE2-CG 3.71Å; Y183-Q187 WeakPolarHBondContact O-CG 3.06Å; Y183-Q187 PolarHBondContact O-N 2.83Å; Y183-Q187 PolarHBondContact OH-OE1 3.46Å
184Q91.3Very high86.1Confident31 Ų3149.6 Ų49.615%0.14525%0.252CS..Hα-helixtrans-59.9-44.8178.1-70.9-164.81.700112.1W180 K186 Q187 N188 L190 K197W180-Q184 VanDerWaalsContact CZ2-NE2 3.27Å; W180-Q184 PolarHBondContact O-N 3.39Å; Q184-K186 PolarHBondContact O-N 2.96Å; Q184-K186 VanDerWaalsContact O-N 3.13Å; Q184-Q187 PolarHBondContact O-N 3.43Å; Q184-N188 PolarHBondContact O-N 3.22Å; Q184-N188 VanDerWaalsContact O-O 3.08Å; Q184-L190 HydrophobicContact CB-CD1 4.35Å; Q184-K197 PolarHBondContact NE2-O 2.99Å
185R88.4Confident86.3Confident24 Ų2453 Ų539%0.09126%0.264CS..Hα-helixtrans-62.3-18.6176.5-71176.769.3-149.4-6.2114.2T181 Y183 N188 L190 M235 T236T181-R185 HydrophobicContact CG2-CG 4.41Å; T181-R185 WeakPolarHBondContact O-CB 3.05Å; T181-R185 VanDerWaalsContact O-CG 3.3Å; T181-R185 WeakPolarHBondContact O-CG 3.33Å; T181-R185 PolarHBondContact O-N 3.45Å; Y183-R185 PolarHBondContact O-N 3.44Å; R185-N188 WeakPolarHBondContact CA-O 3.38Å; R185-L190 HydrophobicContact CG-CB 4.06Å; R185-L190 HydrophobicContact CG-CD1 4.19Å; R185-L190 HydrophobicContact CG-CG 4.25Å; R185-M235 VanDerWaalsContact NH1-CE 3.32Å; R185-T236 PolarHBondContact NH1-O 3.33Å; R185-T236 PolarHBondContact NH2-O 3.18Å
186K86.2Confident86.6Confident128 Ų12849.5 Ų49.556%0.55725%0.251SS*.THydrogen-bonded Turntrans-92.5-2.2172.7-73.2172-178.2174.80113.7E182 Y183 Q184E182-K186 WeakPolarHBondContact O-CD 3.48Å; E182-K186 VanDerWaalsContact O-CG 3.25Å; E182-K186 WeakPolarHBondContact O-CG 3.24Å; E182-K186 PolarHBondContact O-N 3.05Å; Y183-K186 WeakPolarHBondContact O-CB 3.27Å; Y183-K186 PolarHBondContact O-N 2.75Å; Q184-K186 PolarHBondContact O-N 2.96Å; Q184-K186 VanDerWaalsContact O-N 3.13Å
187Q84.3Confident86.7Confident127 Ų12753.6 Ų53.659%0.59327%0.269SS*.THydrogen-bonded Turntrans-110.5-37.8174.5-58.8-68-109.300111.1Y183 Q184Y183-Q187 HydrophobicContact CD2-CG 4.26Å; Y183-Q187 HydrophobicContact CE1-CG 4.38Å; Y183-Q187 HydrophobicContact CE2-CG 3.71Å; Y183-Q187 WeakPolarHBondContact O-CG 3.06Å; Y183-Q187 PolarHBondContact O-N 2.83Å; Y183-Q187 PolarHBondContact OH-OE1 3.46Å; Q184-Q187 PolarHBondContact O-N 3.43Å
188N83.8Confident86.8Confident102 Ų10253.6 Ų53.655%0.54527%0.269SS..SBendtrans-138.8125.3167.9-174.538.2000108.7Q184 R185 L190Q184-N188 PolarHBondContact O-N 3.22Å; Q184-N188 VanDerWaalsContact O-O 3.08Å; R185-N188 WeakPolarHBondContact CA-O 3.38Å; N188-L190 PolarHBondContact O-N 2.9Å; N188-L190 VanDerWaalsContact O-N 3.07Å
189P84.7Confident86.8Confident92 Ų9253.4 Ų53.460%0.59727%0.271SS*.  trans-61.2111.5175.6-23.434.9000111.1I238P189-I238 HydrophobicContact CB-CD1 4.35Å
190L82.4Confident86.7Confident23 Ų2355.4 Ų55.412%0.1228%0.28CS..  trans-91.6129.7176-57.9176.4000110.9Q184 R185 N188 D194 V196 L208Q184-L190 HydrophobicContact CB-CD1 4.35Å; R185-L190 HydrophobicContact CG-CB 4.06Å; R185-L190 HydrophobicContact CG-CD1 4.19Å; R185-L190 HydrophobicContact CG-CG 4.25Å; N188-L190 PolarHBondContact O-N 2.9Å; N188-L190 VanDerWaalsContact O-N 3.07Å; L190-D194 HydrophobicContact CB-CB 4.14Å; L190-D194 HydrophobicContact CD2-CB 4.11Å; L190-V196 HydrophobicContact CD1-CG2 3.97Å; L190-L208 HydrophobicContact CB-CD2 4.21Å
191G73.5Confident86.6Confident34 Ų3455.2 Ų55.235%0.35128%0.282SS..  trans-71.5177.2163.500000112.5D194 L208G191-D194 PolarHBondContact N-OD2 3.32Å; G191-D194 PolarHBondContact O-N 3.24Å; G191-L208 WeakPolarHBondContact O-CB 3.49Å; G191-L208 VanDerWaalsContact O-CD2 3.29Å; G191-L208 WeakPolarHBondContact O-CD2 3.31Å
192L72.5Confident86.5Confident52 Ų5258.1 Ų58.127%0.27229%0.293SS..SBendtrans-73.9-32.6-170.4-69.1161.3000113.9L208 H209 I212 I237 M253L192-L208 PolarHBondContact O-N 3.37Å; L192-H209 PolarHBondContact O-CD2 3.09Å; L192-H209 PolarHBondContact O-N 2.83Å; L192-I212 HydrophobicContact CD2-CD1 4.24Å; L192-I237 HydrophobicContact CD2-CD1 4.13Å; L192-I237 HydrophobicContact CD2-CG1 4.35Å; L192-I237 HydrophobicContact CD2-CG2 4.23Å; L192-M253 HydrophobicContact CD1-CE 3.39Å; L192-M253 HydrophobicContact CD1-SD 4.13Å; L192-M253 HydrophobicContact CD2-CE 4.04Å; L192-M253 HydrophobicContact CD2-SD 3.79Å; L192-M253 HydrophobicContact CG-CE 4.35Å
193M76.2Confident86.5Confident140 Ų14060.5 Ų60.569%0.6930%0.304SS*.SBendtrans-86.8-15.7178.1-52.5-56.9-94.100112.1
194D84.6Confident86.6Confident72 Ų7261.6 Ų61.639%0.38531%0.312SS..SBendtrans-66.9146.2-179.3-58.6-3.6000110.7L190 G191 P207 L208L190-D194 HydrophobicContact CB-CB 4.14Å; L190-D194 HydrophobicContact CD2-CB 4.11Å; G191-D194 PolarHBondContact N-OD2 3.32Å; G191-D194 PolarHBondContact O-N 3.24Å; D194-P207 CarbonylContact O-C 3.48Å; D194-P207 WeakPolarHBondContact O-CA 3.16Å; D194-L208 PolarHBondContact O-N 2.8Å
195Y90Very high86.7Confident83 Ų8360.1 Ų60.133%0.32531%0.305SS..EExtended strand (participates in β ladder)trans-88130-179.1-73.2-98.2000111.6K166 D204 A206 P207K166-Y195 HydrophobicContact CD-CE1 4.44Å; K166-Y195 WeakPolarHBondContact CE-OH 3.31Å; K166-Y195 HydrophobicContact CG-CD1 4.5Å; K166-Y195 HydrophobicContact CG-CE1 4.04Å; Y195-D204 VanDerWaalsContact CB-CG 3.43Å; Y195-D204 WeakPolarHBondContact CB-OD1 3.24Å; Y195-D204 HydrophobicContact CD1-CB 3.69Å; Y195-D204 HydrophobicContact CE1-CB 4.47Å; Y195-D204 HydrophobicContact CG-CB 3.94Å; Y195-A206 WeakPolarHBondContact CA-O 3.27Å; Y195-A206 VanDerWaalsContact CD1-C 3.48Å; Y195-P207 HydrophobicContact CD1-CG 4.16Å; Y195-P207 HydrophobicContact CE1-CG 3.66Å; Y195-P207 HydrophobicContact CE2-CG 4.41Å
196V92.3Very high86.7Confident0 Ų059 Ų590%030%0.301CS..EExtended strand (participates in β ladder)trans-76.1129.2165.6-173.50000107.2M177 T181 L190 F205 A206 L208 L211M177-V196 HydrophobicContact CE-CB 4.05Å; M177-V196 HydrophobicContact CE-CG1 3.58Å; T181-V196 HydrophobicContact CG2-CG2 3.98Å; L190-V196 HydrophobicContact CD1-CG2 3.97Å; V196-F205 WeakPolarHBondContact O-CA 3.48Å; V196-F205 WeakPolarHBondContact O-CB 3.32Å; V196-F205 PolarHBondContact O-N 3.3Å; V196-A206 PolarHBondContact N-O 2.74Å; V196-L208 HydrophobicContact CG2-CB 4.42Å; V196-L208 HydrophobicContact CG2-CD1 4.06Å; V196-L211 HydrophobicContact CB-CD1 3.68Å; V196-L211 HydrophobicContact CG1-CD1 4.36Å; V196-L211 HydrophobicContact CG2-CD1 3.54Å
197K94Very high86.7Confident86 Ų8653.8 Ų53.837%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-74.4145.8-179.8-61.4-59.7-172.8179.40111.4W180 Q184 R202 E203 D204W180-K197 PolarHBondContact NE1-O 2.85Å; Q184-K197 PolarHBondContact NE2-O 2.99Å; K197-R202 WeakPolarHBondContact CB-O 3.46Å; K197-R202 WeakPolarHBondContact CD-O 3.34Å; K197-E203 CarbonylContact C-O 3.59Å; K197-D204 WeakPolarHBondContact CD-OD1 3.31Å; K197-D204 VanDerWaalsContact CE-OD1 3.25Å; K197-D204 WeakPolarHBondContact CE-OD1 3.33Å; K197-D204 VanDerWaalsContact NZ-CG 3.33Å; K197-D204 IonicContact NZ-OD1 3.21Å; K197-D204 PolarHBondContact NZ-OD1 3.06Å; K197-D204 IonicContact NZ-OD2 3.38Å; K197-D204 PolarHBondContact NZ-OD2 3.06Å
198C93.6Very high86.7Confident0 Ų047.9 Ų47.90%025%0.252CS..PPolyproline II helixtrans-68.7134.4179.9-177.80000111.7I200 C201 R202 E203 F205C198-I200 PolarHBondContact O-N 3.17Å; C198-I200 PolarHBondContact SG-N 2.77Å; C198-C201 VanDerWaalsContact CB-SG 3.6Å; C198-C201 PolarHBondContact SG-N 2.91Å; C198-C201 VanDerWaalsContact SG-SG 3.68Å; C198-R202 WeakPolarHBondContact O-CA 3.31Å; C198-R202 PolarHBondContact O-N 2.89Å; C198-R202 VanDerWaalsContact O-N 3.12Å; C198-E203 VanDerWaalsContact CB-O 3.31Å; C198-E203 WeakPolarHBondContact CB-O 3.39Å; C198-E203 PolarHBondContact N-O 3.44Å; C198-F205 HydrophobicContact CB-CB 4.22Å; C198-F205 HydrophobicContact CB-CD2 3.89Å
199P91Very high86.3Confident25 Ų2545.8 Ų45.816%0.16224%0.239CC..THydrogen-bonded Turntrans-61.2-25.7172.3-13.621.5000114.2I148 L172 W180I148-P199 HydrophobicContact CD1-CG 3.84Å; I148-P199 HydrophobicContact CG1-CB 4.3Å; I148-P199 HydrophobicContact CG1-CG 4.15Å; L172-P199 HydrophobicContact CD1-CG 3.66Å; W180-P199 HydrophobicContact CD2-CB 4.15Å; W180-P199 HydrophobicContact CD2-CG 3.77Å; W180-P199 HydrophobicContact CE3-CB 4.28Å; W180-P199 HydrophobicContact CE3-CG 4.33Å; W180-P199 HydrophobicContact CG-CG 3.96Å; W180-P199 HydrophobicContact CH2-CB 4.12Å; W180-P199 HydrophobicContact CZ2-CB 3.97Å; W180-P199 HydrophobicContact CZ2-CG 4.15Å; W180-P199 HydrophobicContact CZ3-CB 4.25Å
200I88.3Confident86Confident66 Ų6642 Ų4234%0.33822%0.215SC..THydrogen-bonded Turntrans-93.5-71-172.9-58.2161.8000110.4P147 N170 L172 C198P147-I200 HydrophobicContact CG-CD1 3.84Å; P147-I200 HydrophobicContact CG-CG1 3.65Å; N170-I200 HydrophobicContact CB-CD1 3.43Å; N170-I200 VanDerWaalsContact CB-CD1 3.43Å; L172-I200 HydrophobicContact CD2-CD1 4.2Å; C198-I200 PolarHBondContact O-N 3.17Å; C198-I200 PolarHBondContact SG-N 2.77Å
201C90.4Very high86.2Confident25 Ų2541 Ų4117%0.16921%0.209CC..THydrogen-bonded Turntrans-87.4-2.4-175.368.80000114.1C168 C198 E203 M443C168-C201 HydrophobicContact CB-CB 3.83Å; C168-C201 PolarHBondContact SG-SG 3.39Å; C198-C201 VanDerWaalsContact CB-SG 3.6Å; C198-C201 PolarHBondContact SG-N 2.91Å; C198-C201 VanDerWaalsContact SG-SG 3.68Å; C201-E203 PolarHBondContact O-N 3.39Å; C201-M443 WeakPolarHBondContact O-CE 3.44Å
202R88.7Confident86.4Confident61 Ų6139.8 Ų39.823%0.2320%0.195CC..  trans57.5-11.9178-62.4-178.1162.9-151.51118.2K197 C198 L440 C441 M443K197-R202 WeakPolarHBondContact CB-O 3.46Å; K197-R202 WeakPolarHBondContact CD-O 3.34Å; C198-R202 WeakPolarHBondContact O-CA 3.31Å; C198-R202 PolarHBondContact O-N 2.89Å; C198-R202 VanDerWaalsContact O-N 3.12Å; R202-L440 PolarHBondContact NH1-O 2.95Å; R202-C441 WeakPolarHBondContact CD-O 3.35Å; R202-C441 PolarHBondContact NH1-O 2.75Å; R202-M443 HydrophobicContact CB-CE 4Å
203E90.4Very high86.2Confident80 Ų8038.4 Ų38.437%0.37419%0.186SC..SBendtrans-64.6177.4159.5-58.3-55.7164.100112.4N167 K197 C198 C201N167-E203 HydrophobicContact CB-CB 4.11Å; N167-E203 WeakPolarHBondContact OD1-CB 3.25Å; K197-E203 CarbonylContact C-O 3.59Å; C198-E203 VanDerWaalsContact CB-O 3.31Å; C198-E203 WeakPolarHBondContact CB-O 3.39Å; C198-E203 PolarHBondContact N-O 3.44Å; C201-E203 PolarHBondContact O-N 3.39Å
204D92.5Very high86.3Confident43 Ų4332 Ų3223%0.2315%0.154CC..EExtended strand (participates in β ladder)trans-58.3139-178.7-69.3-40.3000113.4C164 K166 Y195 K197C164-D204 PolarHBondContact SG-O 3.5Å; C164-D204 VanDerWaalsContact SG-O 3.39Å; K166-D204 HydrophobicContact CB-CB 4.22Å; K166-D204 HydrophobicContact CG-CB 4.13Å; Y195-D204 VanDerWaalsContact CB-CG 3.43Å; Y195-D204 WeakPolarHBondContact CB-OD1 3.24Å; Y195-D204 HydrophobicContact CD1-CB 3.69Å; Y195-D204 HydrophobicContact CE1-CB 4.47Å; Y195-D204 HydrophobicContact CG-CB 3.94Å; K197-D204 WeakPolarHBondContact CD-OD1 3.31Å; K197-D204 VanDerWaalsContact CE-OD1 3.25Å; K197-D204 WeakPolarHBondContact CE-OD1 3.33Å; K197-D204 VanDerWaalsContact NZ-CG 3.33Å; K197-D204 IonicContact NZ-OD1 3.21Å; K197-D204 PolarHBondContact NZ-OD1 3.06Å; K197-D204 IonicContact NZ-OD2 3.38Å; K197-D204 PolarHBondContact NZ-OD2 3.06Å
205F92.6Very high86.1Confident0 Ų028.9 Ų28.90%014%0.137CC..EExtended strand (participates in β ladder)trans-96.5-60.4176.7-167.9-86.8000111.2T162 F163 C164 R165 L172 M177 V196 C198 L211T162-F205 HydrophobicContact CG2-CE1 3.91Å; T162-F205 HydrophobicContact CG2-CZ 4.03Å; F163-F205 VanDerWaalsContact C-CE1 3.44Å; F163-F205 WeakPolarHBondContact O-CE1 3.15Å; F163-F205 WeakPolarHBondContact O-CZ 3.31Å; C164-F205 HydrophobicContact CB-CD2 3.61Å; C164-F205 HydrophobicContact CB-CE2 3.77Å; C164-F205 HydrophobicContact CB-CG 4.35Å; C164-F205 VanDerWaalsContact N-CE2 3.28Å; R165-F205 PolarHBondContact N-O 3.28Å; L172-F205 HydrophobicContact CD1-CD2 4.29Å; L172-F205 HydrophobicContact CD1-CE2 3.43Å; L172-F205 VanDerWaalsContact CD1-CE2 3.43Å; L172-F205 HydrophobicContact CD1-CZ 3.76Å; L172-F205 HydrophobicContact CG-CE2 4.13Å; L172-F205 HydrophobicContact CG-CZ 4.33Å; M177-F205 HydrophobicContact CE-CB 3.93Å; M177-F205 HydrophobicContact CE-CD1 3.54Å; M177-F205 HydrophobicContact CE-CD2 4.15Å; M177-F205 HydrophobicContact CE-CE1 3.98Å; M177-F205 HydrophobicContact CE-CG 3.61Å; M177-F205 HydrophobicContact CE-CZ 4.46Å; M177-F205 HydrophobicContact CG-CE1 4.15Å; M177-F205 HydrophobicContact CG-CZ 4.41Å; M177-F205 HydrophobicContact SD-CD1 4.27Å; M177-F205 HydrophobicContact SD-CD2 4.39Å; M177-F205 HydrophobicContact SD-CE1 4.15Å; M177-F205 HydrophobicContact SD-CE2 4.29Å; M177-F205 HydrophobicContact SD-CG 4.36Å; M177-F205 HydrophobicContact SD-CZ 4.14Å; V196-F205 WeakPolarHBondContact O-CA 3.48Å; V196-F205 WeakPolarHBondContact O-CB 3.32Å; V196-F205 PolarHBondContact O-N 3.3Å; C198-F205 HydrophobicContact CB-CB 4.22Å; C198-F205 HydrophobicContact CB-CD2 3.89Å; F205-L211 HydrophobicContact CD1-CD1 4.47Å; F205-L211 HydrophobicContact CD1-CD2 4.07Å; F205-L211 HydrophobicContact CE1-CD2 3.98Å
206A88.1Confident85.1Confident0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-166.8158.5178.700000109.4Y195 V196 V210 L211Y195-A206 WeakPolarHBondContact CA-O 3.27Å; Y195-A206 VanDerWaalsContact CD1-C 3.48Å; V196-A206 PolarHBondContact N-O 2.74Å; A206-V210 HydrophobicContact CB-CB 4.49Å; A206-L211 HydrophobicContact CB-CD1 4.28Å; A206-L211 HydrophobicContact CB-CD2 4.35Å; A206-L211 HydrophobicContact CB-CG 4.06Å
207P86.2Confident83.8Confident19 Ų1927.2 Ų27.212%0.12313%0.134CC..EExtended strand (participates in β ladder)trans-60.2147.4169.2-21.433.5000111.7D194 Y195 H209 V210 L211D194-P207 CarbonylContact O-C 3.48Å; D194-P207 WeakPolarHBondContact O-CA 3.16Å; Y195-P207 HydrophobicContact CD1-CG 4.16Å; Y195-P207 HydrophobicContact CE1-CG 3.66Å; Y195-P207 HydrophobicContact CE2-CG 4.41Å; P207-H209 VanDerWaalsContact C-N 3.29Å; P207-H209 VanDerWaalsContact CB-CD2 3.44Å; P207-H209 WeakPolarHBondContact CB-CD2 3.43Å; P207-H209 PolarHBondContact O-N 3.08Å; P207-V210 HydrophobicContact CB-CG2 4.25Å; P207-V210 HydrophobicContact CG-CG2 4.22Å; P207-V210 WeakPolarHBondContact O-CB 3.49Å; P207-V210 PolarHBondContact O-N 3.03Å; P207-V210 VanDerWaalsContact O-N 3.13Å; P207-L211 PolarHBondContact O-N 2.94Å
208L86Confident82.2Confident2 Ų224.9 Ų24.91%0.0113%0.126CC..Hα-helixtrans-57.5-38.9-177.9178.861.2000112.7T181 L190 G191 L192 D194 V196 V210 L211 I212T181-L208 HydrophobicContact CG2-CD1 3.42Å; T181-L208 VanDerWaalsContact CG2-CD1 3.42Å; L190-L208 HydrophobicContact CB-CD2 4.21Å; G191-L208 WeakPolarHBondContact O-CB 3.49Å; G191-L208 VanDerWaalsContact O-CD2 3.29Å; G191-L208 WeakPolarHBondContact O-CD2 3.31Å; L192-L208 PolarHBondContact O-N 3.37Å; D194-L208 PolarHBondContact O-N 2.8Å; V196-L208 HydrophobicContact CG2-CB 4.42Å; V196-L208 HydrophobicContact CG2-CD1 4.06Å; L208-V210 VanDerWaalsContact C-N 3.32Å; L208-V210 PolarHBondContact O-N 3.13Å; L208-L211 PolarHBondContact O-N 2.92Å; L208-I212 HydrophobicContact CD1-CD1 3.99Å; L208-I212 HydrophobicContact CD1-CG1 4.06Å; L208-I212 HydrophobicContact CD2-CD1 4.22Å; L208-I212 HydrophobicContact CG-CD1 3.75Å; L208-I212 HydrophobicContact CG-CG1 4.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.45Å; L208-I212 PolarHBondContact O-N 3.07Å
209H74.1Confident80.4Confident59 Ų5927.2 Ų27.227%0.27314%0.138SC..Hα-helixtrans-62-36.317976.894.5000113.1L192 P207 I212 R213L192-H209 PolarHBondContact O-CD2 3.09Å; L192-H209 PolarHBondContact O-N 2.83Å; P207-H209 VanDerWaalsContact C-N 3.29Å; P207-H209 VanDerWaalsContact CB-CD2 3.44Å; P207-H209 WeakPolarHBondContact CB-CD2 3.43Å; P207-H209 PolarHBondContact O-N 3.08Å; H209-I212 PolarHBondContact O-N 2.79Å; H209-R213 PolarHBondContact O-N 2.69Å
210V79.8Confident78.4Confident13 Ų1333 Ų338%0.07916%0.16CC..Hα-helixtrans-64.5-43.2176.4179.10000110.4A206 P207 L208 R213 E214A206-V210 HydrophobicContact CB-CB 4.49Å; P207-V210 HydrophobicContact CB-CG2 4.25Å; P207-V210 HydrophobicContact CG-CG2 4.22Å; P207-V210 WeakPolarHBondContact O-CB 3.49Å; P207-V210 PolarHBondContact O-N 3.03Å; P207-V210 VanDerWaalsContact O-N 3.13Å; L208-V210 VanDerWaalsContact C-N 3.32Å; L208-V210 PolarHBondContact O-N 3.13Å; V210-R213 WeakPolarHBondContact O-CB 3.44Å; V210-R213 PolarHBondContact O-N 3.16Å; V210-E214 PolarHBondContact O-N 3.34Å; V210-E214 VanDerWaalsContact O-N 3.08Å
211L85.6Confident76.4Confident0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-69.3-39.9178.9-68.7169.3000111.9T162 M177 V196 F205 A206 P207 L208 R213 E214 F215T162-L211 HydrophobicContact CG2-CD2 4.29Å; M177-L211 HydrophobicContact CE-CD1 3.69Å; M177-L211 HydrophobicContact CE-CD2 4.31Å; M177-L211 HydrophobicContact CG-CD2 3.88Å; V196-L211 HydrophobicContact CB-CD1 3.68Å; V196-L211 HydrophobicContact CG1-CD1 4.36Å; V196-L211 HydrophobicContact CG2-CD1 3.54Å; F205-L211 HydrophobicContact CD1-CD1 4.47Å; F205-L211 HydrophobicContact CD1-CD2 4.07Å; F205-L211 HydrophobicContact CE1-CD2 3.98Å; A206-L211 HydrophobicContact CB-CD1 4.28Å; A206-L211 HydrophobicContact CB-CD2 4.35Å; A206-L211 HydrophobicContact CB-CG 4.06Å; P207-L211 PolarHBondContact O-N 2.94Å; L208-L211 PolarHBondContact O-N 2.92Å; L211-R213 VanDerWaalsContact C-N 3.33Å; L211-R213 PolarHBondContact O-N 2.74Å; L211-E214 PolarHBondContact O-N 2.9Å; L211-F215 HydrophobicContact CB-CE1 4.44Å; L211-F215 HydrophobicContact CB-CE2 3.88Å; L211-F215 HydrophobicContact CB-CZ 3.75Å; L211-F215 HydrophobicContact CD2-CZ 4.43Å; L211-F215 WeakPolarHBondContact O-CD1 3.44Å; L211-F215 WeakPolarHBondContact O-CD2 3.35Å; L211-F215 WeakPolarHBondContact O-CG 3.46Å; L211-F215 PolarHBondContact O-N 3.01Å
212I76.7Confident74Confident10 Ų1039.8 Ų39.85%0.05119%0.19CC..Hα-helixtrans-62.1-39.6174.7-70.4174000111.3L192 L208 H209 F215 T216 I237L192-I212 HydrophobicContact CD2-CD1 4.24Å; L208-I212 HydrophobicContact CD1-CD1 3.99Å; L208-I212 HydrophobicContact CD1-CG1 4.06Å; L208-I212 HydrophobicContact CD2-CD1 4.22Å; L208-I212 HydrophobicContact CG-CD1 3.75Å; L208-I212 HydrophobicContact CG-CG1 4.25Å; L208-I212 WeakPolarHBondContact O-CG1 3.45Å; L208-I212 PolarHBondContact O-N 3.07Å; H209-I212 PolarHBondContact O-N 2.79Å; I212-F215 PolarHBondContact O-N 3.13Å; I212-T216 WeakPolarHBondContact O-CB 3.49Å; I212-T216 PolarHBondContact O-N 2.82Å; I212-T216 PolarHBondContact O-OG1 3.24Å; I212-I237 HydrophobicContact CD1-CG1 4.1Å
213R69.4Low71.6Confident22 Ų2242.5 Ų42.58%0.08321%0.209CC..Hα-helixtrans-58.3-51.8171.6-178.5178.463.4178.61.1110.7H209 V210 L211 F215 T216 E217 T255 N273 E313H209-R213 PolarHBondContact O-N 2.69Å; V210-R213 WeakPolarHBondContact O-CB 3.44Å; V210-R213 PolarHBondContact O-N 3.16Å; L211-R213 VanDerWaalsContact C-N 3.33Å; L211-R213 PolarHBondContact O-N 2.74Å; R213-F215 PolarHBondContact O-N 3.43Å; R213-T216 PolarHBondContact O-N 3.34Å; R213-E217 HydrophobicContact CG-CG 4.47Å; R213-E217 WeakPolarHBondContact CG-OE1 3.17Å; R213-E217 WeakPolarHBondContact O-CB 3.06Å; R213-E217 WeakPolarHBondContact O-CG 3.26Å; R213-E217 PolarHBondContact O-N 3.47Å; R213-T255 PolarHBondContact NH1-OG1 3.04Å; R213-N273 VanDerWaalsContact CZ-OD1 3.27Å; R213-N273 PolarHBondContact NH1-OD1 3.23Å; R213-N273 PolarHBondContact NH2-OD1 3.17Å; R213-E313 PolarHBondContact NH1-O 3.48Å; R213-E313 VanDerWaalsContact NH1-O 3.12Å; R213-E313 VanDerWaalsContact NH2-CD 3.32Å; R213-E313 IonicContact NH2-OE1 3.56Å; R213-E313 IonicContact NH2-OE2 2.69Å; R213-E313 PolarHBondContact NH2-OE2 2.85Å
214E78.6Confident69.1Low7 Ų748.2 Ų48.23%0.03323%0.232CC..Hα-helixtrans-62.1-38.7178.7-72.6-177.2143.400113.6T162 R165 I174 V210 L211 N218 R326T162-E214 VanDerWaalsContact CB-OE2 3.24Å; T162-E214 WeakPolarHBondContact CB-OE2 3.26Å; T162-E214 PolarHBondContact OG1-OE1 3.12Å; T162-E214 PolarHBondContact OG1-OE2 3.36Å; R165-E214 IonicContact CZ-OE1 3.67Å; R165-E214 IonicContact NH1-OE1 2.88Å; R165-E214 IonicContact NH1-OE2 3.18Å; R165-E214 IonicContact NH2-OE1 3.79Å; R165-E214 PolarHBondContact NH2-OE1 3.16Å; R165-E214 IonicContact NH2-OE2 2.68Å; I174-E214 HydrophobicContact CD1-CB 4.36Å; V210-E214 PolarHBondContact O-N 3.34Å; V210-E214 VanDerWaalsContact O-N 3.08Å; L211-E214 PolarHBondContact O-N 2.9Å; E214-N218 PolarHBondContact O-ND2 3.06Å; E214-R326 IonicContact OE1-CZ 2.75Å; E214-R326 IonicContact OE1-NH2 3.83Å; E214-R326 PolarHBondContact OE1-NH2 3.2Å
215F80.2Confident66.5Low5 Ų556.3 Ų56.32%0.02227%0.266CS..Hα-helixtrans-62.8-49173.5-56.4-29.4000110.8I174 M177 K178 T181 L211 I212 R213 E217 N218 L219 M235I174-F215 HydrophobicContact CG2-CD1 3.65Å; I174-F215 HydrophobicContact CG2-CE1 4.22Å; M177-F215 HydrophobicContact CB-CE1 4.3Å; M177-F215 HydrophobicContact CG-CE1 4.49Å; M177-F215 HydrophobicContact CG-CZ 4.45Å; K178-F215 HydrophobicContact CB-CD1 3.78Å; K178-F215 HydrophobicContact CB-CD2 4.31Å; K178-F215 HydrophobicContact CB-CE1 3.69Å; K178-F215 HydrophobicContact CB-CE2 4.21Å; K178-F215 HydrophobicContact CB-CG 4.13Å; K178-F215 HydrophobicContact CB-CZ 3.92Å; K178-F215 HydrophobicContact CG-CD1 4.33Å; K178-F215 HydrophobicContact CG-CD2 4.1Å; K178-F215 HydrophobicContact CG-CE1 4.49Å; K178-F215 HydrophobicContact CG-CE2 4.25Å; K178-F215 HydrophobicContact CG-CG 4.16Å; K178-F215 HydrophobicContact CG-CZ 4.46Å; K178-F215 VanDerWaalsContact N-CE1 3.34Å; T181-F215 HydrophobicContact CG2-CE2 4.17Å; L211-F215 HydrophobicContact CB-CE1 4.44Å; L211-F215 HydrophobicContact CB-CE2 3.88Å; L211-F215 HydrophobicContact CB-CZ 3.75Å; L211-F215 HydrophobicContact CD2-CZ 4.43Å; L211-F215 WeakPolarHBondContact O-CD1 3.44Å; L211-F215 WeakPolarHBondContact O-CD2 3.35Å; L211-F215 WeakPolarHBondContact O-CG 3.46Å; L211-F215 PolarHBondContact O-N 3.01Å; I212-F215 PolarHBondContact O-N 3.13Å; R213-F215 PolarHBondContact O-N 3.43Å; F215-E217 PolarHBondContact O-N 2.8Å; F215-N218 PolarHBondContact O-N 3.37Å; F215-L219 WeakPolarHBondContact O-CD1 3.46Å; F215-L219 VanDerWaalsContact O-CG 3.26Å; F215-L219 WeakPolarHBondContact O-CG 3.38Å; F215-L219 PolarHBondContact O-N 3.12Å; F215-M235 HydrophobicContact CD2-CG 4.17Å
216T68.5Low63.8Low26 Ų2660 Ų6016%0.1629%0.291CS..Hα-helixtrans-67-36.5-175.3-56.40000112.4I212 R213 N218 I250I212-T216 WeakPolarHBondContact O-CB 3.49Å; I212-T216 PolarHBondContact O-N 2.82Å; I212-T216 PolarHBondContact O-OG1 3.24Å; R213-T216 PolarHBondContact O-N 3.34Å; T216-N218 VanDerWaalsContact C-N 3.33Å; T216-N218 PolarHBondContact O-N 3.17Å; T216-I250 HydrophobicContact CG2-CD1 4.05Å; T216-I250 HydrophobicContact CG2-CG2 4.07Å
217E64.4Low61.2Low23 Ų2367.3 Ų67.311%0.10734%0.336CS..Hα-helixtrans-67.9-28.5180-82.7-170.1-153.300113.9R213 F215 S295 R299R213-E217 HydrophobicContact CG-CG 4.47Å; R213-E217 WeakPolarHBondContact CG-OE1 3.17Å; R213-E217 WeakPolarHBondContact O-CB 3.06Å; R213-E217 WeakPolarHBondContact O-CG 3.26Å; R213-E217 PolarHBondContact O-N 3.47Å; F215-E217 PolarHBondContact O-N 2.8Å; E217-S295 VanDerWaalsContact OE2-CB 3.25Å; E217-S295 WeakPolarHBondContact OE2-CB 3.37Å; E217-S295 PolarHBondContact OE2-OG 2.84Å; E217-R299 IonicContact OE2-CZ 2.92Å; E217-R299 VanDerWaalsContact OE2-CZ 3.23Å; E217-R299 IonicContact OE2-NH1 3.25Å; E217-R299 PolarHBondContact OE2-NH1 3.33Å; E217-R299 IonicContact OE2-NH2 2.68Å; E217-R299 PolarHBondContact OE2-NH2 3.11Å
218N61.5Low58.6Low37 Ų3771.9 Ų71.920%0.19836%0.356CS..Hα-helixtrans-98.2-20-171.9-73.3-81.7000114.3P160 I174 E214 F215 T216 K220P160-N218 WeakPolarHBondContact CB-OD1 3.11Å; P160-N218 HydrophobicContact CG-CB 4.06Å; P160-N218 WeakPolarHBondContact CG-OD1 3.3Å; I174-N218 VanDerWaalsContact CD1-ND2 3.35Å; I174-N218 WeakPolarHBondContact CD1-ND2 3.39Å; E214-N218 PolarHBondContact O-ND2 3.06Å; F215-N218 PolarHBondContact O-N 3.37Å; T216-N218 VanDerWaalsContact C-N 3.33Å; T216-N218 PolarHBondContact O-N 3.17Å; N218-K220 PolarHBondContact O-N 2.93Å
219L55.7Low55.8Low48 Ų4877.4 Ų77.425%0.25140%0.395SS..THydrogen-bonded Turntrans-72.25.4-179.6-67.7168000114.8F215 I232F215-L219 WeakPolarHBondContact O-CD1 3.46Å; F215-L219 VanDerWaalsContact O-CG 3.26Å; F215-L219 WeakPolarHBondContact O-CG 3.38Å; F215-L219 PolarHBondContact O-N 3.12Å; L219-I232 HydrophobicContact CB-CG2 4.44Å; L219-I232 HydrophobicContact CD1-CG2 3.88Å; L219-I232 HydrophobicContact CD2-CG2 3.79Å; L219-I232 HydrophobicContact CG-CG2 4.24Å
220K49.6Very low53.9Low146 Ų14681.8 Ų81.864%0.63541%0.413SS*.THydrogen-bonded Turntrans-94.9-5.6-173-71.3-169.6176.7-175.80115.7N218 L296N218-K220 PolarHBondContact O-N 2.93Å; K220-L296 HydrophobicContact CD-CD2 4.44Å
221K45.3Very low51.6Low130 Ų13089.6 Ų89.657%0.56545%0.448SS*.SBendtrans-87.9-23.3177.9-78.6-164.7175.2-173.80114.2R299K221-R299 VanDerWaalsContact CE-O 3.3Å; K221-R299 WeakPolarHBondContact CE-O 3.16Å; K221-R299 PolarHBondContact NZ-O 3.29Å
222D41.2Very low49.2Very low104 Ų10492.5 Ų92.556%0.55646%0.463SS*.SBendtrans-76.8-29.6-167.6-54.9-27.6000114.1K224D222-K224 PolarHBondContact O-N 3.06Å
223N37.3Very low47.4Very low119 Ų11997.2 Ų97.264%0.63649%0.485SS*.THydrogen-bonded Turntrans-79.729.4-168.6-68.77.8000115.6
224K38.7Very low46.2Very low199 Ų19999.9 Ų99.987%0.86550%0.5SS*.THydrogen-bonded Turntrans-116.12.6-175.6-109.1-165.5177.7-165.50117.1D222D222-K224 PolarHBondContact O-N 3.06Å
225K38.1Very low44.6Very low214 Ų214100.9 Ų100.993%0.9351%0.505SS*.SBendtrans-1406.9179.1-82.4-163.9172.7-172.50116.9
226S34.8Very low42.9Very low76 Ų76102.8 Ų102.853%0.53152%0.517SS..  trans-126125.417858.10000112E228S226-E228 VanDerWaalsContact C-N 3.25Å; S226-E228 PolarHBondContact O-N 3.09Å
227T33.4Very low42Very low154 Ų154102.4 Ų102.495%0.94551%0.513SS*.SBendtrans-76.1-8175.337.90000113.9
228E31.9Very low41.1Very low116 Ų116106.4 Ų106.454%0.54254%0.535SS..SBendtrans-86.8116.4169.6-65.6-174119.600111.4S226 K230S226-E228 VanDerWaalsContact C-N 3.25Å; S226-E228 PolarHBondContact O-N 3.09Å; E228-K230 HydrophobicContact CB-CG 4.39Å; E228-K230 PolarHBondContact O-N 3.49Å; E228-K230 WeakPolarHBondContact OE2-CE 3.45Å; E228-K230 IonicContact OE2-NZ 3.5Å; E228-K230 PolarHBondContact OE2-NZ 3Å
229S27.5Very low40.3Very low118 Ų118108.6 Ų108.683%0.82557%0.566SS**  trans-72.464.3171.8-680000112.3H231S229-H231 PolarHBondContact O-N 3.25Å
230K34Very low39.8Very low150 Ų150107.3 Ų107.365%0.65256%0.558SS**  trans-60.5110.9172.9-77.2171.9-179.6155.50108.7E228 I232E228-K230 HydrophobicContact CB-CG 4.39Å; E228-K230 PolarHBondContact O-N 3.49Å; E228-K230 WeakPolarHBondContact OE2-CE 3.45Å; E228-K230 IonicContact OE2-NZ 3.5Å; E228-K230 PolarHBondContact OE2-NZ 3Å; K230-I232 VanDerWaalsContact C-N 3.35Å; K230-I232 PolarHBondContact O-N 3.14Å
231H31.8Very low39.6Very low177 Ų177104.5 Ų104.582%0.81956%0.563SS**  trans-61.488.5-170.8-113.3-95.3000111.8S229 H233S229-H231 PolarHBondContact O-N 3.25Å; H231-H233 VanDerWaalsContact C-N 3.29Å; H231-H233 PolarHBondContact O-N 3.29Å
232I34Very low39.7Very low61 Ų61102 Ų10231%0.31356%0.555SS.*  trans-63.896.4167.2-63.7-179.4000106.6L219 K230 I234L219-I232 HydrophobicContact CB-CG2 4.44Å; L219-I232 HydrophobicContact CD1-CG2 3.88Å; L219-I232 HydrophobicContact CD2-CG2 3.79Å; L219-I232 HydrophobicContact CG-CG2 4.24Å; K230-I232 VanDerWaalsContact C-N 3.35Å; K230-I232 PolarHBondContact O-N 3.14Å; I232-I234 PolarHBondContact O-N 3.27Å
233H39.6Very low40.2Very low110 Ų110101.4 Ų101.451%0.50955%0.552SS.*  trans-61.899.6176.2-123.9-55000108.6K178 H231 M235K178-H233 PolarHBondContact NZ-O 3.27Å; H231-H233 VanDerWaalsContact C-N 3.29Å; H231-H233 PolarHBondContact O-N 3.29Å; H233-M235 PolarHBondContact O-N 2.81Å
234I45Very low40.6Very low77 Ų7799.2 Ų99.240%0.39555%0.551SS.*  trans-55.7136.8162.9-62175000106.2I232 T236I232-I234 PolarHBondContact O-N 3.27Å; I234-T236 PolarHBondContact O-N 3.33Å
235M43.8Very low41.1Very low28 Ų2893.9 Ų93.914%0.13853%0.529CS..  trans-63.4100.5-176.1-87-110.476.900109.9K178 T181 E182 R185 F215 H233 I237K178-M235 HydrophobicContact CG-CG 4.17Å; K178-M235 HydrophobicContact CG-SD 4.48Å; T181-M235 HydrophobicContact CG2-SD 4.44Å; E182-M235 HydrophobicContact CB-CE 4.23Å; E182-M235 HydrophobicContact CG-CE 3.59Å; E182-M235 HydrophobicContact CG-SD 4Å; R185-M235 VanDerWaalsContact NH1-CE 3.32Å; F215-M235 HydrophobicContact CD2-CG 4.17Å; H233-M235 PolarHBondContact O-N 2.81Å; M235-I237 PolarHBondContact O-N 2.82Å; M235-I237 VanDerWaalsContact O-N 3.12Å
236T44Very low41.6Very low45 Ų4585.8 Ų85.828%0.27649%0.492SS..PPolyproline II helixtrans-57.5119172.1-54.60000109.1R185 I234 Q240R185-T236 PolarHBondContact NH1-O 3.33Å; R185-T236 PolarHBondContact NH2-O 3.18Å; I234-T236 PolarHBondContact O-N 3.33Å; T236-Q240 WeakPolarHBondContact CG2-O 3.48Å
237I49.6Very low42.2Very low18 Ų1889.3 Ų89.39%0.09250%0.498CS..PPolyproline II helixtrans-68.3134.4165.8-61.1167.9000106.1L192 I212 M235 G239 Q240 N249 M253L192-I237 HydrophobicContact CD2-CD1 4.13Å; L192-I237 HydrophobicContact CD2-CG1 4.35Å; L192-I237 HydrophobicContact CD2-CG2 4.23Å; I212-I237 HydrophobicContact CD1-CG1 4.1Å; M235-I237 PolarHBondContact O-N 2.82Å; M235-I237 VanDerWaalsContact O-N 3.12Å; I237-G239 PolarHBondContact O-N 2.91Å; I237-Q240 HydrophobicContact CB-CG 4.15Å; I237-Q240 HydrophobicContact CG2-CG 4.41Å; I237-Q240 PolarHBondContact O-N 3.49Å; I237-N249 HydrophobicContact CD1-CB 4.28Å; I237-M253 HydrophobicContact CD1-CE 3.93Å; I237-M253 HydrophobicContact CD1-SD 3.99Å
238I45.4Very low42.8Very low108 Ų10886.9 Ų86.955%0.55448%0.479SS*.THydrogen-bonded Turntrans-59.3127.4-176.9-74.4152.4000108.1P189P189-I238 HydrophobicContact CB-CD1 4.35Å
239G44.8Very low43.5Very low82 Ų8282.8 Ų82.885%0.84546%0.461SS*.THydrogen-bonded Turntrans95.1-0.9-173.600000116.7I237I237-G239 PolarHBondContact O-N 2.91Å
240Q46.3Very low44.6Very low21 Ų2178.8 Ų78.810%0.09843%0.43CS..  trans-112.490.5-175.6-59.6-174.310.500113.4T236 I237 R246 N249T236-Q240 WeakPolarHBondContact CG2-O 3.48Å; I237-Q240 HydrophobicContact CB-CG 4.15Å; I237-Q240 HydrophobicContact CG2-CG 4.41Å; I237-Q240 PolarHBondContact O-N 3.49Å; Q240-R246 HydrophobicContact CB-CG 4.19Å; Q240-R246 PolarHBondContact O-NE 3.06Å; Q240-R246 PolarHBondContact O-NH2 2.87Å; Q240-N249 PolarHBondContact NE2-ND2 3.1Å; Q240-N249 PolarHBondContact NE2-OD1 3.03Å
241A45Very low45.3Very low88 Ų8876 Ų7673%0.72742%0.419SS*.  trans-72.2-35.2-176.900000114.2R246A241-R246 PolarHBondContact O-NH2 3.41Å
242N48Very low46.3Very low77 Ų7772.5 Ų72.541%0.41241%0.41SS..SBendtrans-109.4135.2-164.951.8-29.8000113A244 Q245 R246N242-A244 VanDerWaalsContact C-N 3.3Å; N242-A244 PolarHBondContact O-N 3.03Å; N242-Q245 PolarHBondContact ND2-OE1 3.4Å; N242-Q245 VanDerWaalsContact ND2-OE1 3.14Å; N242-Q245 WeakPolarHBondContact O-CB 3.24Å; N242-Q245 PolarHBondContact O-N 3.21Å; N242-Q245 VanDerWaalsContact O-N 3.09Å; N242-Q245 WeakPolarHBondContact OD1-CB 3.4Å; N242-R246 PolarHBondContact O-N 2.92Å; N242-R246 VanDerWaalsContact O-N 3.17Å
243D50.6Low47.5Very low92 Ų9271.8 Ų71.849%0.49241%0.406SS..Hα-helixtrans-68-24.1-174-74.4-46.8000114.6R246 K247D243-R246 PolarHBondContact O-N 2.96Å; D243-R246 WeakPolarHBondContact OD1-CD 3.46Å; D243-R246 IonicContact OD1-CZ 3.8Å; D243-R246 IonicContact OD1-NE 2.61Å; D243-R246 IonicContact OD1-NH1 3.65Å; D243-R246 PolarHBondContact OD1-NH1 2.91Å; D243-R246 IonicContact OD2-NH1 2.74Å; D243-K247 WeakPolarHBondContact O-CG 3.46Å; D243-K247 PolarHBondContact O-N 3.44Å
244A46.7Very low48.6Very low73 Ų7368.1 Ų68.160%0.60339%0.389SS*.Hα-helixtrans-61.6-45.6170.100000111.2N242 R246 K247 L248N242-A244 VanDerWaalsContact C-N 3.3Å; N242-A244 PolarHBondContact O-N 3.03Å; A244-R246 VanDerWaalsContact C-N 3.33Å; A244-R246 PolarHBondContact O-N 3.29Å; A244-K247 PolarHBondContact O-N 3.18Å; A244-L248 WeakPolarHBondContact O-CB 3.43Å; A244-L248 PolarHBondContact O-N 2.86Å
245Q48Very low49.7Very low87 Ų8766 Ų6641%0.40738%0.38SS..Hα-helixtrans-63.1-40.5175.5-145.188.818.200111N242 L248 N249N242-Q245 PolarHBondContact ND2-OE1 3.4Å; N242-Q245 VanDerWaalsContact ND2-OE1 3.14Å; N242-Q245 WeakPolarHBondContact O-CB 3.24Å; N242-Q245 PolarHBondContact O-N 3.21Å; N242-Q245 VanDerWaalsContact O-N 3.09Å; N242-Q245 WeakPolarHBondContact OD1-CB 3.4Å; Q245-L248 PolarHBondContact O-N 2.96Å; Q245-N249 WeakPolarHBondContact O-CB 3.45Å; Q245-N249 PolarHBondContact O-N 3.18Å; Q245-N249 PolarHBondContact O-ND2 2.91Å
246R49.7Very low51.5Low43 Ų4371 Ų7116%0.16240%0.401CS..Hα-helixtrans-64.1-45.9177.3-62.9178.9-167.6142.22.3111.7Q240 A241 N242 D243 A244 N249 I250Q240-R246 HydrophobicContact CB-CG 4.19Å; Q240-R246 PolarHBondContact O-NE 3.06Å; Q240-R246 PolarHBondContact O-NH2 2.87Å; A241-R246 PolarHBondContact O-NH2 3.41Å; N242-R246 PolarHBondContact O-N 2.92Å; N242-R246 VanDerWaalsContact O-N 3.17Å; D243-R246 PolarHBondContact O-N 2.96Å; D243-R246 WeakPolarHBondContact OD1-CD 3.46Å; D243-R246 IonicContact OD1-CZ 3.8Å; D243-R246 IonicContact OD1-NE 2.61Å; D243-R246 IonicContact OD1-NH1 3.65Å; D243-R246 PolarHBondContact OD1-NH1 2.91Å; D243-R246 IonicContact OD2-NH1 2.74Å; A244-R246 VanDerWaalsContact C-N 3.33Å; A244-R246 PolarHBondContact O-N 3.29Å; R246-N249 PolarHBondContact O-N 3.33Å; R246-I250 WeakPolarHBondContact O-CB 3.47Å; R246-I250 WeakPolarHBondContact O-CD1 3.38Å; R246-I250 VanDerWaalsContact O-CG1 3.24Å; R246-I250 WeakPolarHBondContact O-CG1 3.48Å; R246-I250 PolarHBondContact O-N 2.92Å
247K47.8Very low53.4Low151 Ų15169 Ų6966%0.65739%0.388SS*.Hα-helixtrans-58.4-50.1174-77.1-178.9-179.7177.80111.3D243 A244 N249 I250 E251D243-K247 WeakPolarHBondContact O-CG 3.46Å; D243-K247 PolarHBondContact O-N 3.44Å; A244-K247 PolarHBondContact O-N 3.18Å; K247-N249 VanDerWaalsContact C-N 3.32Å; K247-N249 PolarHBondContact O-N 3.22Å; K247-I250 PolarHBondContact O-N 3.21Å; K247-I250 VanDerWaalsContact O-N 3.17Å; K247-E251 PolarHBondContact O-N 2.98Å
248L46.2Very low54.8Low102 Ų10271.4 Ų71.453%0.53441%0.407SS..Hα-helixtrans-57.7-45.1178.8-174.967.7000111.6A244 Q245 E251 T252A244-L248 WeakPolarHBondContact O-CB 3.43Å; A244-L248 PolarHBondContact O-N 2.86Å; Q245-L248 PolarHBondContact O-N 2.96Å; L248-E251 PolarHBondContact O-N 3.44Å; L248-T252 PolarHBondContact O-N 2.92Å; L248-T252 PolarHBondContact O-OG1 3.3Å; L248-T252 VanDerWaalsContact O-OG1 3.11Å
249N45.3Very low56.4Low31 Ų3174 Ų7417%0.16642%0.421CS..Hα-helixtrans-66.5-36.9177.1-85-96.5000112.9I237 Q240 Q245 R246 K247 E251 T252 M253I237-N249 HydrophobicContact CD1-CB 4.28Å; Q240-N249 PolarHBondContact NE2-ND2 3.1Å; Q240-N249 PolarHBondContact NE2-OD1 3.03Å; Q245-N249 WeakPolarHBondContact O-CB 3.45Å; Q245-N249 PolarHBondContact O-N 3.18Å; Q245-N249 PolarHBondContact O-ND2 2.91Å; R246-N249 PolarHBondContact O-N 3.33Å; K247-N249 VanDerWaalsContact C-N 3.32Å; K247-N249 PolarHBondContact O-N 3.22Å; N249-E251 VanDerWaalsContact C-N 3.31Å; N249-E251 PolarHBondContact O-N 3.05Å; N249-T252 WeakPolarHBondContact CA-OG1 3.34Å; N249-T252 PolarHBondContact O-OG1 3.49Å; N249-M253 HydrophobicContact CB-CE 3.78Å; N249-M253 WeakPolarHBondContact O-CB 3.35Å; N249-M253 WeakPolarHBondContact O-CG 3.21Å; N249-M253 PolarHBondContact O-N 3.29Å; N249-M253 WeakPolarHBondContact OD1-CE 3.48Å
250I51.3Low58.3Low34 Ų3470.8 Ų70.817%0.17439%0.386CS..Hα-helixtrans-63.3-39.4173.7-72.3159.9000110.7T216 R246 K247 Q254T216-I250 HydrophobicContact CG2-CD1 4.05Å; T216-I250 HydrophobicContact CG2-CG2 4.07Å; R246-I250 WeakPolarHBondContact O-CB 3.47Å; R246-I250 WeakPolarHBondContact O-CD1 3.38Å; R246-I250 VanDerWaalsContact O-CG1 3.24Å; R246-I250 WeakPolarHBondContact O-CG1 3.48Å; R246-I250 PolarHBondContact O-N 2.92Å; K247-I250 PolarHBondContact O-N 3.21Å; K247-I250 VanDerWaalsContact O-N 3.17Å; I250-Q254 WeakPolarHBondContact O-CB 3.45Å; I250-Q254 VanDerWaalsContact O-CG 3.24Å; I250-Q254 WeakPolarHBondContact O-CG 3.41Å; I250-Q254 PolarHBondContact O-N 2.84Å; I250-Q254 VanDerWaalsContact O-N 3.16Å
251E49.3Very low60.4Low91 Ų9176 Ų7643%0.42541%0.405SS..Hα-helixtrans-77.6-32.4178.9-68-166.7129.900113.2K247 L248 N249 R267 L271K247-E251 PolarHBondContact O-N 2.98Å; L248-E251 PolarHBondContact O-N 3.44Å; N249-E251 VanDerWaalsContact C-N 3.31Å; N249-E251 PolarHBondContact O-N 3.05Å; E251-R267 IonicContact OE1-CZ 2.82Å; E251-R267 IonicContact OE1-NH1 2.71Å; E251-R267 IonicContact OE1-NH2 3.94Å; E251-R267 PolarHBondContact OE1-NH2 3.23Å; E251-L271 HydrophobicContact CG-CD1 4.46Å
252T52.1Low62.5Low104 Ų10471.9 Ų71.964%0.63837%0.37SS*.Hα-helixtrans-77.4-22.7171.752.50000114.2L248 N249L248-T252 PolarHBondContact O-N 2.92Å; L248-T252 PolarHBondContact O-OG1 3.3Å; L248-T252 VanDerWaalsContact O-OG1 3.11Å; N249-T252 WeakPolarHBondContact CA-OG1 3.34Å; N249-T252 PolarHBondContact O-OG1 3.49Å
253M58.9Low64.5Low46 Ų4671.3 Ų71.323%0.22737%0.367CS..SBendtrans-86.5-10.2172-67.7170.8-156.900113.3L192 I237 N249L192-M253 HydrophobicContact CD1-CE 3.39Å; L192-M253 HydrophobicContact CD1-SD 4.13Å; L192-M253 HydrophobicContact CD2-CE 4.04Å; L192-M253 HydrophobicContact CD2-SD 3.79Å; L192-M253 HydrophobicContact CG-CE 4.35Å; I237-M253 HydrophobicContact CD1-CE 3.93Å; I237-M253 HydrophobicContact CD1-SD 3.99Å; N249-M253 HydrophobicContact CB-CE 3.78Å; N249-M253 WeakPolarHBondContact O-CB 3.35Å; N249-M253 WeakPolarHBondContact O-CG 3.21Å; N249-M253 PolarHBondContact O-N 3.29Å; N249-M253 WeakPolarHBondContact OD1-CE 3.48Å
254Q63.9Low66.2Low32 Ų3269.3 Ų69.315%0.1536%0.36CS..SBendtrans-80.1128.7173.6-86.1173.416.900110.9I250 K256 L271I250-Q254 WeakPolarHBondContact O-CB 3.45Å; I250-Q254 VanDerWaalsContact O-CG 3.24Å; I250-Q254 WeakPolarHBondContact O-CG 3.41Å; I250-Q254 PolarHBondContact O-N 2.84Å; I250-Q254 VanDerWaalsContact O-N 3.16Å; Q254-K256 PolarHBondContact O-N 2.87Å; Q254-K256 VanDerWaalsContact O-N 3.14Å; Q254-L271 HydrophobicContact CB-CB 4.12Å
255T67.4Low68.2Low32 Ų3268.7 Ų68.720%0.19635%0.351CS..  trans-58.3114.1174.835.80000110.2R213 G272 E313 T314R213-T255 PolarHBondContact NH1-OG1 3.04Å; T255-G272 PolarHBondContact O-N 3.02Å; T255-G272 VanDerWaalsContact OG1-C 3.32Å; T255-G272 PolarHBondContact OG1-O 3.04Å; T255-E313 WeakPolarHBondContact CB-O 3.36Å; T255-E313 VanDerWaalsContact CG2-O 3.28Å; T255-E313 WeakPolarHBondContact CG2-O 3.36Å; T255-E313 PolarHBondContact OG1-O 2.83Å; T255-E313 VanDerWaalsContact OG1-O 3.09Å; T255-T314 HydrophobicContact CG2-CG2 4.11Å
256K80.4Confident70.1Confident134 Ų13469 Ų6958%0.58336%0.355SS*.EExtended strand (participates in β ladder)trans-89.7104.3-174.4-175.9-173.6-178.6-1730110Q254 S258 P269 L271 P315Q254-K256 PolarHBondContact O-N 2.87Å; Q254-K256 VanDerWaalsContact O-N 3.14Å; K256-S258 VanDerWaalsContact C-N 3.34Å; K256-S258 PolarHBondContact O-N 3.12Å; K256-S258 VanDerWaalsContact O-N 3.11Å; K256-P269 HydrophobicContact CD-CG 4.36Å; K256-P269 HydrophobicContact CG-CB 3.9Å; K256-P269 HydrophobicContact CG-CG 3.75Å; K256-L271 HydrophobicContact CB-CD2 4.16Å; K256-L271 HydrophobicContact CG-CD2 4.1Å; K256-P315 WeakPolarHBondContact O-CG 3.27Å
257H84.3Confident71.7Confident3 Ų372.8 Ų72.81%0.01437%0.369CS..EExtended strand (participates in β ladder)trans-83.681.3171.9-67.3-92.5000109.6T260 P269 I270 G272 I274 T314H257-T260 HydrophobicContact CB-CG2 4.49Å; H257-T260 VanDerWaalsContact CB-OG1 3.24Å; H257-T260 WeakPolarHBondContact CB-OG1 3.33Å; H257-T260 PolarHBondContact O-N 2.9Å; H257-T260 PolarHBondContact O-OG1 3.13Å; H257-P269 WeakPolarHBondContact O-CB 3.38Å; H257-I270 HydrophobicContact CB-CB 4.24Å; H257-I270 PolarHBondContact N-O 2.89Å; H257-I270 PolarHBondContact O-N 3.38Å; H257-G272 PolarHBondContact CD2-O 2.89Å; H257-G272 PolarHBondContact NE2-O 3.34Å; H257-I274 HydrophobicContact CB-CD1 4.35Å; H257-I274 WeakPolarHBondContact CE1-CG2 3.48Å; H257-T314 PolarHBondContact CE1-O 2.81Å
258S78.8Confident73.4Confident68 Ų6868.9 Ų68.948%0.47636%0.361SS..THydrogen-bonded Turntrans-51.9147.3170.743.90000111.6K256 T260K256-S258 VanDerWaalsContact C-N 3.34Å; K256-S258 PolarHBondContact O-N 3.12Å; K256-S258 VanDerWaalsContact O-N 3.11Å; S258-T260 PolarHBondContact O-N 3.29Å; S258-T260 VanDerWaalsContact O-N 3.13Å
259N79.4Confident75.3Confident162 Ų16265.8 Ų65.887%0.86635%0.347SS*.THydrogen-bonded Turntrans59.718.6178.5-52.51.9000114.6
260T85.8Confident77Confident15 Ų1564.4 Ų64.49%0.09234%0.339CS..  trans-119.2136170.565.80000110.7H257 S258 S268 I270 I274H257-T260 HydrophobicContact CB-CG2 4.49Å; H257-T260 VanDerWaalsContact CB-OG1 3.24Å; H257-T260 WeakPolarHBondContact CB-OG1 3.33Å; H257-T260 PolarHBondContact O-N 2.9Å; H257-T260 PolarHBondContact O-OG1 3.13Å; S258-T260 PolarHBondContact O-N 3.29Å; S258-T260 VanDerWaalsContact O-N 3.13Å; T260-S268 PolarHBondContact O-OG 2.95Å; T260-I270 PolarHBondContact O-N 3.01Å; T260-I274 HydrophobicContact CG2-CD1 3.78Å
261R89.7Confident78.2Confident132 Ų13264.2 Ų64.250%0.49834%0.338SS..  trans-118.3133.7-178.6-169.6-175.7-165.5-171.14.9108.7L263 L266 R267 N290R261-L263 PolarHBondContact O-N 3.31Å; R261-L266 VanDerWaalsContact CG-O 3.25Å; R261-L266 WeakPolarHBondContact CG-O 3.41Å; R261-L266 PolarHBondContact NE-O 2.92Å; R261-R267 WeakPolarHBondContact CA-O 3.23Å; R261-N290 PolarHBondContact O-ND2 2.97Å; R261-N290 PolarHBondContact O-OD1 3.25Å
262C89.4Confident79.4Confident0 Ų059.9 Ų59.90%032%0.318CS..  trans-68125.5174.8-177.60000110.7S264 C265 L266 R267 I270 F292 C294C262-S264 VanDerWaalsContact C-N 3.3Å; C262-S264 PolarHBondContact O-N 3.42Å; C262-C265 VanDerWaalsContact CB-SG 3.56Å; C262-L266 WeakPolarHBondContact O-CA 3.45Å; C262-L266 PolarHBondContact O-N 3.07Å; C262-R267 PolarHBondContact N-O 2.88Å; C262-I270 HydrophobicContact CB-CD1 4.23Å; C262-I270 HydrophobicContact CB-CG1 4.23Å; C262-F292 CarbonylContact C-O 3.5Å; C262-F292 WeakPolarHBondContact CA-O 3.48Å; C262-C294 HydrophobicContact CB-CB 4.32Å; C262-C294 PolarHBondContact SG-N 3.34Å; C262-C294 VanDerWaalsContact SG-N 3.44Å; C262-C294 VanDerWaalsContact SG-SG 3.7Å
263L89.3Confident80.8Confident65 Ų6555 Ų5534%0.3429%0.289SS..THydrogen-bonded Turntrans-47.1-50.9175.1171.464000112.1R261 L266 N290 F292 L293R261-L263 PolarHBondContact O-N 3.31Å; L263-L266 WeakPolarHBondContact O-CD2 3.41Å; L263-N290 WeakPolarHBondContact CB-O 3.29Å; L263-N290 HydrophobicContact CD1-CB 4.31Å; L263-N290 WeakPolarHBondContact CD2-O 3.41Å; L263-F292 PolarHBondContact N-O 3.5Å; L263-L293 HydrophobicContact CB-CD2 3.94Å; L263-L293 HydrophobicContact CD2-CD2 4.49Å
264S86.7Confident82.2Confident50 Ų5052.9 Ų52.935%0.3528%0.278SS..THydrogen-bonded Turntrans-85.3-41-171.1159.80000115.1C262 C297 K302C262-S264 VanDerWaalsContact C-N 3.3Å; C262-S264 PolarHBondContact O-N 3.42Å; S264-C297 PolarHBondContact OG-SG 3.11Å; S264-K302 VanDerWaalsContact OG-CB 3.29Å; S264-K302 WeakPolarHBondContact OG-CB 3.29Å; S264-K302 WeakPolarHBondContact OG-CG 3.25Å
265C88.1Confident83.5Confident61 Ų6151.3 Ų51.341%0.41227%0.271SS..THydrogen-bonded Turntrans-106.33.5-177.2710000114C262 R267 C294 C297C262-C265 VanDerWaalsContact CB-SG 3.56Å; C265-R267 PolarHBondContact O-N 3.32Å; C265-C294 VanDerWaalsContact SG-SG 3.67Å; C265-C297 WeakPolarHBondContact CB-SG 3.3Å
266L87.8Confident84.6Confident94 Ų9450.9 Ų50.949%0.49227%0.265SS..  trans56.86174.8-57.4-178.5000116.1R261 C262 L263 S268R261-L266 VanDerWaalsContact CG-O 3.25Å; R261-L266 WeakPolarHBondContact CG-O 3.41Å; R261-L266 PolarHBondContact NE-O 2.92Å; C262-L266 WeakPolarHBondContact O-CA 3.45Å; C262-L266 PolarHBondContact O-N 3.07Å; L263-L266 WeakPolarHBondContact O-CD2 3.41Å; L266-S268 PolarHBondContact O-N 2.89Å
267R84Confident85.1Confident121 Ų12144.5 Ų44.546%0.45724%0.238SC..  trans-66.6125.4176.7-162.2178.8-164.9-158.52109.7E251 R261 C262 C265E251-R267 IonicContact OE1-CZ 2.82Å; E251-R267 IonicContact OE1-NH1 2.71Å; E251-R267 IonicContact OE1-NH2 3.94Å; E251-R267 PolarHBondContact OE1-NH2 3.23Å; R261-R267 WeakPolarHBondContact CA-O 3.23Å; C262-R267 PolarHBondContact N-O 2.88Å; C265-R267 PolarHBondContact O-N 3.32Å
268S84.5Confident85.3Confident70 Ų7046 Ų4649%0.4925%0.245SC..SBendtrans-128.2139.4167.5177.90000107.9T260 L266T260-S268 PolarHBondContact O-OG 2.95Å; L266-S268 PolarHBondContact O-N 2.89Å
269P84.5Confident85.7Confident37 Ų3745.2 Ų45.224%0.2424%0.235CC..SBendcis-65.1160.1-1132.2-38.2000111.5K256 H257 L271K256-P269 HydrophobicContact CD-CG 4.36Å; K256-P269 HydrophobicContact CG-CB 3.9Å; K256-P269 HydrophobicContact CG-CG 3.75Å; H257-P269 WeakPolarHBondContact O-CB 3.38Å; P269-L271 HydrophobicContact CG-CD2 3.93Å
270I82.2Confident86.1Confident1 Ų137.9 Ų37.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-70.8130.5162.4-66.8174.6000108.4H257 T260 C262 I274 F292 C294H257-I270 HydrophobicContact CB-CB 4.24Å; H257-I270 PolarHBondContact N-O 2.89Å; H257-I270 PolarHBondContact O-N 3.38Å; T260-I270 PolarHBondContact O-N 3.01Å; C262-I270 HydrophobicContact CB-CD1 4.23Å; C262-I270 HydrophobicContact CB-CG1 4.23Å; I270-I274 HydrophobicContact CD1-CD1 3.77Å; I270-I274 HydrophobicContact CD1-CG1 3.78Å; I270-I274 HydrophobicContact CG2-CB 4.04Å; I270-I274 HydrophobicContact CG2-CG1 4.24Å; I270-F292 HydrophobicContact CD1-CB 4.06Å; I270-C294 HydrophobicContact CG1-CB 4.38Å; I270-C294 HydrophobicContact CG2-CB 3.8Å
271L76.8Confident86.2Confident30 Ų3041.6 Ų41.616%0.15721%0.209CC..EExtended strand (participates in β ladder)trans-110.6137.7177.9-60.1-177.1000110.1E251 Q254 K256 P269E251-L271 HydrophobicContact CG-CD1 4.46Å; Q254-L271 HydrophobicContact CB-CB 4.12Å; K256-L271 HydrophobicContact CB-CD2 4.16Å; K256-L271 HydrophobicContact CG-CD2 4.1Å; P269-L271 HydrophobicContact CG-CD2 3.93Å
272G74Confident85.9Confident0 Ų041.1 Ų41.10%021%0.212CC..SBendtrans90.7-138.5-177.400000111.4T255 H257T255-G272 PolarHBondContact O-N 3.02Å; T255-G272 VanDerWaalsContact OG1-C 3.32Å; T255-G272 PolarHBondContact OG1-O 3.04Å; H257-G272 PolarHBondContact CD2-O 2.89Å; H257-G272 PolarHBondContact NE2-O 3.34Å
273N81.9Confident85.5Confident3 Ų345 Ų452%0.01623%0.233CC..  trans-79.4140173-69.42.6000110.5R213 Y275 R326R213-N273 VanDerWaalsContact CZ-OD1 3.27Å; R213-N273 PolarHBondContact NH1-OD1 3.23Å; R213-N273 PolarHBondContact NH2-OD1 3.17Å; N273-Y275 HydrophobicContact CB-CE2 3.8Å; N273-R326 PolarHBondContact ND2-NH1 2.9Å
274I86.9Confident84.2Confident0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-103.4137.7167.4-171174000109.5H257 T260 I270 F292 Y311 R312 W319H257-I274 HydrophobicContact CB-CD1 4.35Å; H257-I274 WeakPolarHBondContact CE1-CG2 3.48Å; T260-I274 HydrophobicContact CG2-CD1 3.78Å; I270-I274 HydrophobicContact CD1-CD1 3.77Å; I270-I274 HydrophobicContact CD1-CG1 3.78Å; I270-I274 HydrophobicContact CG2-CB 4.04Å; I270-I274 HydrophobicContact CG2-CG1 4.24Å; I274-F292 HydrophobicContact CD1-CB 4.08Å; I274-F292 HydrophobicContact CD1-CD1 3.56Å; I274-F292 HydrophobicContact CD1-CE1 4.3Å; I274-F292 HydrophobicContact CD1-CG 3.99Å; I274-F292 HydrophobicContact CG1-CB 4.34Å; I274-F292 HydrophobicContact CG1-CD1 4.02Å; I274-Y311 CarbonylContact O-C 3.35Å; I274-Y311 VanDerWaalsContact O-CA 3.23Å; I274-Y311 WeakPolarHBondContact O-CA 3.37Å; I274-Y311 WeakPolarHBondContact O-CB 3.39Å; I274-R312 HydrophobicContact CG2-CG 3.36Å; I274-R312 PolarHBondContact N-O 2.75Å; I274-R312 PolarHBondContact O-N 2.87Å; I274-W319 HydrophobicContact CG2-CH2 3.94Å; I274-W319 HydrophobicContact CG2-CZ3 4.1Å
275Y90.9Very high82.8Confident0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-112.7145.9176.8-63.5-103.3000108.2N273 F292 L293 F298 R299 V310 Y311 V322N273-Y275 HydrophobicContact CB-CE2 3.8Å; Y275-F292 CarbonylContact O-C 3.57Å; Y275-F292 WeakPolarHBondContact O-CA 3.26Å; Y275-L293 PolarHBondContact N-O 3.46Å; Y275-L293 PolarHBondContact O-N 3.04Å; Y275-F298 HydrophobicContact CD1-CB 4.27Å; Y275-F298 AromaticContact CD1-CD1 3.51Å; Y275-F298 HydrophobicContact CD1-CD1 3.51Å; Y275-F298 AromaticContact CD1-CD2 3.79Å; Y275-F298 HydrophobicContact CD1-CD2 3.79Å; Y275-F298 AromaticContact CD1-CE1 3.75Å; Y275-F298 HydrophobicContact CD1-CE1 3.75Å; Y275-F298 HydrophobicContact CD1-CE2 4.02Å; Y275-F298 AromaticContact CD1-CG 3.54Å; Y275-F298 HydrophobicContact CD1-CG 3.54Å; Y275-F298 HydrophobicContact CD1-CZ 4.01Å; Y275-F298 HydrophobicContact CD2-CB 3.98Å; Y275-F298 HydrophobicContact CD2-CD1 4.4Å; Y275-F298 HydrophobicContact CD2-CG 4.15Å; Y275-F298 AromaticContact CE1-CD1 3.33Å; Y275-F298 HydrophobicContact CE1-CD1 3.33Å; Y275-F298 HydrophobicContact CE1-CD2 4.46Å; Y275-F298 AromaticContact CE1-CE1 3.5Å; Y275-F298 HydrophobicContact CE1-CE1 3.5Å; Y275-F298 VanDerWaalsContact CE1-CE1 3.5Å; Y275-F298 AromaticContact CE1-CG 3.87Å; Y275-F298 HydrophobicContact CE1-CG 3.87Å; Y275-F298 HydrophobicContact CE1-CZ 4.16Å; Y275-F298 HydrophobicContact CE2-CB 4.38Å; Y275-F298 HydrophobicContact CE2-CD1 4.28Å; Y275-F298 HydrophobicContact CE2-CG 4.46Å; Y275-F298 HydrophobicContact CG-CB 3.94Å; Y275-F298 HydrophobicContact CG-CD1 4.06Å; Y275-F298 HydrophobicContact CG-CD2 4.01Å; Y275-F298 AromaticContact CG-CG 3.7Å; Y275-F298 HydrophobicContact CG-CG 3.7Å; Y275-F298 AromaticContact CZ-CD1 3.75Å; Y275-R299 PolarHBondContact OH-NH2 3.09Å; Y275-R299 VanDerWaalsContact OH-NH2 3.12Å; Y275-V310 CarbonylContact C-O 3.57Å; Y275-V310 WeakPolarHBondContact CA-O 3.43Å; Y275-Y311 HydrophobicContact CE1-CG 4.41Å; Y275-V322 HydrophobicContact CD1-CG2 3.76Å; Y275-V322 HydrophobicContact CE1-CG1 4.21Å; Y275-V322 HydrophobicContact CE1-CG2 3.96Å
276R92Very high81.2Confident22 Ų2254 Ų548%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-130.3128.3177.2-172.9-179.772.3176.93108.7E278 Y281 P291 F292 Y309 V310 W319R276-E278 IonicContact CZ-OE1 3.9Å; R276-E278 IonicContact CZ-OE2 2.69Å; R276-E278 IonicContact NE-OE1 2.67Å; R276-E278 PolarHBondContact NE-OE1 3.01Å; R276-E278 IonicContact NE-OE2 3.86Å; R276-E278 IonicContact NH2-OE1 2.88Å; R276-E278 PolarHBondContact NH2-OE1 3.33Å; R276-E278 IonicContact NH2-OE2 3.61Å; R276-E278 PolarHBondContact NH2-OE2 3.05Å; R276-Y281 HydrophobicContact CG-CG 4.34Å; R276-P291 WeakPolarHBondContact CA-O 3.32Å; R276-P291 HydrophobicContact CG-CB 3.89Å; R276-P291 HydrophobicContact CG-CG 3.91Å; R276-F292 HydrophobicContact CB-CD1 4.09Å; R276-F292 HydrophobicContact CB-CE1 4.05Å; R276-F292 HydrophobicContact CG-CD1 4.12Å; R276-F292 HydrophobicContact CG-CE1 3.79Å; R276-F292 HydrophobicContact CG-CZ 4.44Å; R276-Y309 WeakPolarHBondContact O-CA 3.32Å; R276-Y309 WeakPolarHBondContact O-CD1 3.33Å; R276-V310 HydrophobicContact CB-CG2 4.01Å; R276-V310 PolarHBondContact N-O 3.24Å; R276-V310 PolarHBondContact O-N 2.81Å; R276-W319 HydrophobicContact CB-CE3 4.32Å; R276-W319 HydrophobicContact CB-CH2 3.68Å; R276-W319 HydrophobicContact CB-CZ2 4.33Å; R276-W319 HydrophobicContact CB-CZ3 3.67Å
277C90.3Very high79.9Confident0 Ų057 Ų570%028%0.277CS..EExtended strand (participates in β ladder)trans-75.9121.9166.9175.20000108.6I279 C280 Y281 P291 H306 Y309C277-I279 VanDerWaalsContact C-N 3.35Å; C277-C280 HydrophobicContact CB-CB 4.06Å; C277-C280 PolarHBondContact SG-N 3.31Å; C277-C280 VanDerWaalsContact SG-N 3.45Å; C277-Y281 VanDerWaalsContact O-CB 3.31Å; C277-Y281 WeakPolarHBondContact O-CB 3.48Å; C277-Y281 PolarHBondContact O-N 2.96Å; C277-P291 HydrophobicContact CB-CB 4.36Å; C277-P291 PolarHBondContact N-O 3.29Å; C277-P291 WeakPolarHBondContact O-CB 3.46Å; C277-H306 WeakPolarHBondContact SG-CB 3.44Å; C277-H306 PolarHBondContact SG-ND1 2.93Å; C277-H306 VanDerWaalsContact SG-ND1 3.35Å; C277-Y309 HydrophobicContact CB-CD1 4.07Å; C277-Y309 HydrophobicContact CB-CE1 3.62Å
278E89Confident78.8Confident36 Ų3658.6 Ų58.617%0.16830%0.295CS..Hα-helixtrans-69.9-34.6-177.7-64.6-57.380.200112R276 Y281 Q282 L308 V310R276-E278 IonicContact CZ-OE1 3.9Å; R276-E278 IonicContact CZ-OE2 2.69Å; R276-E278 IonicContact NE-OE1 2.67Å; R276-E278 PolarHBondContact NE-OE1 3.01Å; R276-E278 IonicContact NE-OE2 3.86Å; R276-E278 IonicContact NH2-OE1 2.88Å; R276-E278 PolarHBondContact NH2-OE1 3.33Å; R276-E278 IonicContact NH2-OE2 3.61Å; R276-E278 PolarHBondContact NH2-OE2 3.05Å; E278-Y281 PolarHBondContact O-N 3.48Å; E278-Q282 WeakPolarHBondContact O-CG 3.22Å; E278-Q282 PolarHBondContact O-N 3.14Å; E278-L308 HydrophobicContact CB-CD2 3.91Å; E278-L308 HydrophobicContact CB-CG 3.99Å; E278-L308 HydrophobicContact CG-CD2 4.41Å; E278-L308 HydrophobicContact CG-CG 4.16Å; E278-L308 PolarHBondContact N-O 2.9Å; E278-V310 HydrophobicContact CG-CG1 4.06Å; E278-V310 HydrophobicContact CG-CG2 4.31Å; E278-V310 WeakPolarHBondContact OE1-CG2 3.48Å
279I86.5Confident78.3Confident51 Ų5158 Ų5826%0.26229%0.286SS..Hα-helixtrans-66.4-48.9179.3-55.8178.5000110.1C277 Y281 Q282 L283 H306 L308C277-I279 VanDerWaalsContact C-N 3.35Å; I279-Y281 PolarHBondContact O-N 3.47Å; I279-Q282 PolarHBondContact O-N 3.2Å; I279-L283 HydrophobicContact CG2-CD1 4.13Å; I279-L283 WeakPolarHBondContact O-CG 3.43Å; I279-L283 PolarHBondContact O-N 2.97Å; I279-H306 HydrophobicContact CB-CB 4.48Å; I279-H306 HydrophobicContact CD1-CB 4.05Å; I279-L308 HydrophobicContact CG1-CB 4.44Å
280C87.6Confident78.3Confident7 Ų758 Ų585%0.04728%0.284CS..Hα-helixtrans-66.6-23.1173.8-71.40000113.6C277 E284 L289 P291 H303 H306C277-C280 HydrophobicContact CB-CB 4.06Å; C277-C280 PolarHBondContact SG-N 3.31Å; C277-C280 VanDerWaalsContact SG-N 3.45Å; C280-E284 WeakPolarHBondContact O-CB 3.4Å; C280-E284 PolarHBondContact O-N 3.13Å; C280-L289 HydrophobicContact CB-CD2 4.18Å; C280-P291 HydrophobicContact CB-CB 3.76Å; C280-H303 VanDerWaalsContact SG-CE1 3.58Å; C280-H303 PolarHBondContact SG-NE2 2.8Å; C280-H306 PolarHBondContact SG-CE1 3.42Å; C280-H306 PolarHBondContact SG-ND1 2.91Å
281Y87.4Confident78.7Confident94 Ų9457.9 Ų57.937%0.36928%0.284SS..Hα-helixtrans-77.7-27.8174.8-179.8-113.1000112.5R276 C277 E278 I279 E284 P291R276-Y281 HydrophobicContact CG-CG 4.34Å; C277-Y281 VanDerWaalsContact O-CB 3.31Å; C277-Y281 WeakPolarHBondContact O-CB 3.48Å; C277-Y281 PolarHBondContact O-N 2.96Å; E278-Y281 PolarHBondContact O-N 3.48Å; I279-Y281 PolarHBondContact O-N 3.47Å; Y281-E284 VanDerWaalsContact CD2-OE2 3.24Å; Y281-E284 WeakPolarHBondContact CD2-OE2 3.22Å; Y281-P291 HydrophobicContact CD2-CG 4.17Å
282Q83.7Confident79.5Confident121 Ų12157.9 Ų57.957%0.56528%0.282SS*.Hα-helixtrans-73.5-46.2170.6-71164.4-5.900110.4E278 I279 E284E278-Q282 WeakPolarHBondContact O-CG 3.22Å; E278-Q282 PolarHBondContact O-N 3.14Å; I279-Q282 PolarHBondContact O-N 3.2Å; Q282-E284 VanDerWaalsContact C-N 3.27Å; Q282-E284 PolarHBondContact O-N 2.98Å
283L80.8Confident80.2Confident83 Ų8358 Ų5844%0.43528%0.283SS..Hα-helixtrans-70.6-16.5176.5-61.9171.4000114.2I279 Q285 D286 E287 L289I279-L283 HydrophobicContact CG2-CD1 4.13Å; I279-L283 WeakPolarHBondContact O-CG 3.43Å; I279-L283 PolarHBondContact O-N 2.97Å; L283-Q285 PolarHBondContact O-N 3.09Å; L283-Q285 VanDerWaalsContact O-N 3.1Å; L283-D286 PolarHBondContact O-N 2.88Å; L283-E287 PolarHBondContact O-N 3.18Å; L283-L289 HydrophobicContact CB-CD2 4.41Å
284E63.5Low80.4Confident57 Ų5758.5 Ų58.527%0.26629%0.286SS..Hα-helixtrans-59.1-22.4177.8-142.6178.1-174.800112.6C280 Y281 Q282 L289 P291C280-E284 WeakPolarHBondContact O-CB 3.4Å; C280-E284 PolarHBondContact O-N 3.13Å; Y281-E284 VanDerWaalsContact CD2-OE2 3.24Å; Y281-E284 WeakPolarHBondContact CD2-OE2 3.22Å; Q282-E284 VanDerWaalsContact C-N 3.27Å; Q282-E284 PolarHBondContact O-N 2.98Å; E284-L289 HydrophobicContact CG-CB 4.33Å; E284-L289 WeakPolarHBondContact CG-O 3.24Å; E284-P291 WeakPolarHBondContact OE1-CD 3.3Å; E284-P291 WeakPolarHBondContact OE2-CD 3.12Å; E284-P291 WeakPolarHBondContact OE2-CG 3.41Å
285Q55.9Low80.2Confident159 Ų15958.8 Ų58.874%0.74329%0.288SS*.Hα-helixtrans-74-23.2-176.2-58.7-175.227.900113.4L283L283-Q285 PolarHBondContact O-N 3.09Å; L283-Q285 VanDerWaalsContact O-N 3.1Å
286D54.6Low79.5Confident149 Ų14962.9 Ų62.980%0.79731%0.31SS*.Hα-helixtrans-106.4-41.7178.7-67.2-55.2000113L283L283-D286 PolarHBondContact O-N 2.88Å
287E60.4Low79.1Confident155 Ų15562.3 Ų62.372%0.72431%0.309SS*.Hα-helixtrans-115.49.3-166-76.3-162.8161.600116.1L283 L289L283-E287 PolarHBondContact O-N 3.18Å; E287-L289 VanDerWaalsContact C-N 3.26Å; E287-L289 HydrophobicContact CB-CD1 3.36Å; E287-L289 PolarHBondContact O-N 2.81Å
288N62.2Low78.9Confident155 Ų15563.5 Ų63.583%0.82932%0.315SS*.  trans59.136.3172.9-157.213.3000113.2
289L74.3Confident78.2Confident58 Ų5863.1 Ų63.130%0.30431%0.311SS..  trans-64.4-178.5175.8-91.471.8000111.8C280 L283 E284 E287C280-L289 HydrophobicContact CB-CD2 4.18Å; L283-L289 HydrophobicContact CB-CD2 4.41Å; E284-L289 HydrophobicContact CG-CB 4.33Å; E284-L289 WeakPolarHBondContact CG-O 3.24Å; E287-L289 VanDerWaalsContact C-N 3.26Å; E287-L289 HydrophobicContact CB-CD1 3.36Å; E287-L289 PolarHBondContact O-N 2.81Å
290N84.5Confident77.6Confident36 Ų3663.3 Ų63.319%0.19332%0.317CS..  trans-136.3106.1168.1173.93.4000109.7R261 L263 F292R261-N290 PolarHBondContact O-ND2 2.97Å; R261-N290 PolarHBondContact O-OD1 3.25Å; L263-N290 WeakPolarHBondContact CB-O 3.29Å; L263-N290 HydrophobicContact CD1-CB 4.31Å; L263-N290 WeakPolarHBondContact CD2-O 3.41Å; N290-F292 VanDerWaalsContact C-N 3.28Å; N290-F292 PolarHBondContact O-N 2.79Å; N290-F292 WeakPolarHBondContact OD1-CB 3.49Å; N290-F292 WeakPolarHBondContact OD1-CD2 3.45Å; N290-F292 PolarHBondContact OD1-N 2.91Å
291P90Very high77.2Confident0 Ų065.1 Ų65.10%033%0.327CS..  trans-81.9-2.6-177.133.8-37.2000113.6R276 C277 C280 Y281 E284R276-P291 WeakPolarHBondContact CA-O 3.32Å; R276-P291 HydrophobicContact CG-CB 3.89Å; R276-P291 HydrophobicContact CG-CG 3.91Å; C277-P291 HydrophobicContact CB-CB 4.36Å; C277-P291 PolarHBondContact N-O 3.29Å; C277-P291 WeakPolarHBondContact O-CB 3.46Å; C280-P291 HydrophobicContact CB-CB 3.76Å; Y281-P291 HydrophobicContact CD2-CG 4.17Å; E284-P291 WeakPolarHBondContact OE1-CD 3.3Å; E284-P291 WeakPolarHBondContact OE2-CD 3.12Å; E284-P291 WeakPolarHBondContact OE2-CG 3.41Å
292F92.6Very high76.9Confident30 Ų3066.7 Ų66.713%0.13234%0.335CS..EExtended strand (participates in β ladder)trans-90.2130.3-166.7-60.8-69.9000113.6C262 L263 I270 I274 Y275 R276 N290 W319C262-F292 CarbonylContact C-O 3.5Å; C262-F292 WeakPolarHBondContact CA-O 3.48Å; L263-F292 PolarHBondContact N-O 3.5Å; I270-F292 HydrophobicContact CD1-CB 4.06Å; I274-F292 HydrophobicContact CD1-CB 4.08Å; I274-F292 HydrophobicContact CD1-CD1 3.56Å; I274-F292 HydrophobicContact CD1-CE1 4.3Å; I274-F292 HydrophobicContact CD1-CG 3.99Å; I274-F292 HydrophobicContact CG1-CB 4.34Å; I274-F292 HydrophobicContact CG1-CD1 4.02Å; Y275-F292 CarbonylContact O-C 3.57Å; Y275-F292 WeakPolarHBondContact O-CA 3.26Å; R276-F292 HydrophobicContact CB-CD1 4.09Å; R276-F292 HydrophobicContact CB-CE1 4.05Å; R276-F292 HydrophobicContact CG-CD1 4.12Å; R276-F292 HydrophobicContact CG-CE1 3.79Å; R276-F292 HydrophobicContact CG-CZ 4.44Å; N290-F292 VanDerWaalsContact C-N 3.28Å; N290-F292 PolarHBondContact O-N 2.79Å; N290-F292 WeakPolarHBondContact OD1-CB 3.49Å; N290-F292 WeakPolarHBondContact OD1-CD2 3.45Å; N290-F292 PolarHBondContact OD1-N 2.91Å; F292-W319 HydrophobicContact CD1-CH2 4.11Å; F292-W319 AromaticContact CE1-CH2 3.75Å; F292-W319 HydrophobicContact CE1-CH2 3.75Å; F292-W319 AromaticContact CE1-CZ2 3.87Å; F292-W319 HydrophobicContact CE1-CZ2 3.87Å
293L89.8Confident76.9Confident1 Ų161.7 Ų61.71%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-124.2144.7175.9-65.6170.5000111.3L263 Y275 C297 F298 H303 Y309L263-L293 HydrophobicContact CB-CD2 3.94Å; L263-L293 HydrophobicContact CD2-CD2 4.49Å; Y275-L293 PolarHBondContact N-O 3.46Å; Y275-L293 PolarHBondContact O-N 3.04Å; L293-C297 HydrophobicContact CD2-CB 3.95Å; L293-F298 HydrophobicContact CB-CB 4.29Å; L293-F298 HydrophobicContact CD1-CD2 4.37Å; L293-H303 HydrophobicContact CD1-CB 3.99Å; L293-Y309 HydrophobicContact CD1-CE1 3.85Å
294C86.2Confident76.9Confident14 Ų1461.7 Ų61.710%0.09531%0.312CS..EExtended strand (participates in β ladder)trans-84159166.5720000111C262 C265 I270 L296 C297 F298C262-C294 HydrophobicContact CB-CB 4.32Å; C262-C294 PolarHBondContact SG-N 3.34Å; C262-C294 VanDerWaalsContact SG-N 3.44Å; C262-C294 VanDerWaalsContact SG-SG 3.7Å; C265-C294 VanDerWaalsContact SG-SG 3.67Å; I270-C294 HydrophobicContact CG1-CB 4.38Å; I270-C294 HydrophobicContact CG2-CB 3.8Å; C294-L296 PolarHBondContact O-N 3.31Å; C294-C297 PolarHBondContact O-N 3.14Å; C294-F298 PolarHBondContact O-N 3.48Å
295S81.1Confident77.6Confident6 Ų665.7 Ų65.74%0.04233%0.331CS..Hα-helixtrans-45.6-34.4178.2-60.40000115E217 R299E217-S295 VanDerWaalsContact OE2-CB 3.25Å; E217-S295 WeakPolarHBondContact OE2-CB 3.37Å; E217-S295 PolarHBondContact OE2-OG 2.84Å; S295-R299 WeakPolarHBondContact O-CB 3.42Å; S295-R299 VanDerWaalsContact O-CG 3.27Å; S295-R299 WeakPolarHBondContact O-CG 3.03Å; S295-R299 PolarHBondContact O-N 3.15Å
296L78.2Confident78.8Confident87 Ų8760.2 Ų60.246%0.45531%0.305SS..Hα-helixtrans-75.3-42.5-178.5-67.7173.3000112.8K220 C294 S300K220-L296 HydrophobicContact CD-CD2 4.44Å; C294-L296 PolarHBondContact O-N 3.31Å; L296-S300 VanDerWaalsContact O-CB 3.24Å; L296-S300 WeakPolarHBondContact O-CB 3.45Å; L296-S300 PolarHBondContact O-N 2.77Å; L296-S300 PolarHBondContact O-OG 2.68Å
297C83.4Confident80Confident10 Ų1059.7 Ų59.77%0.06830%0.302CS..Hα-helixtrans-73.7-38178-71.70000111.7S264 C265 L293 C294 S300 D301 K302S264-C297 PolarHBondContact OG-SG 3.11Å; C265-C297 WeakPolarHBondContact CB-SG 3.3Å; L293-C297 HydrophobicContact CD2-CB 3.95Å; C294-C297 PolarHBondContact O-N 3.14Å; C297-S300 CarbonylContact O-C 3.55Å; C297-S300 PolarHBondContact O-N 2.99Å; C297-D301 PolarHBondContact O-N 3.18Å; C297-K302 HydrophobicContact CB-CB 4.16Å; C297-K302 HydrophobicContact CB-CG 4.19Å; C297-K302 WeakPolarHBondContact O-CB 3.45Å; C297-K302 PolarHBondContact O-N 2.88Å
298F84.7Confident81.2Confident25 Ų2556.9 Ų56.911%0.1129%0.292CS..Hα-helixtrans-59.5-48.7174.4-178.9-101.8000111.8Y275 L293 C294 S300 D301 Y309 V322Y275-F298 HydrophobicContact CD1-CB 4.27Å; Y275-F298 AromaticContact CD1-CD1 3.51Å; Y275-F298 HydrophobicContact CD1-CD1 3.51Å; Y275-F298 AromaticContact CD1-CD2 3.79Å; Y275-F298 HydrophobicContact CD1-CD2 3.79Å; Y275-F298 AromaticContact CD1-CE1 3.75Å; Y275-F298 HydrophobicContact CD1-CE1 3.75Å; Y275-F298 HydrophobicContact CD1-CE2 4.02Å; Y275-F298 AromaticContact CD1-CG 3.54Å; Y275-F298 HydrophobicContact CD1-CG 3.54Å; Y275-F298 HydrophobicContact CD1-CZ 4.01Å; Y275-F298 HydrophobicContact CD2-CB 3.98Å; Y275-F298 HydrophobicContact CD2-CD1 4.4Å; Y275-F298 HydrophobicContact CD2-CG 4.15Å; Y275-F298 AromaticContact CE1-CD1 3.33Å; Y275-F298 HydrophobicContact CE1-CD1 3.33Å; Y275-F298 HydrophobicContact CE1-CD2 4.46Å; Y275-F298 AromaticContact CE1-CE1 3.5Å; Y275-F298 HydrophobicContact CE1-CE1 3.5Å; Y275-F298 VanDerWaalsContact CE1-CE1 3.5Å; Y275-F298 AromaticContact CE1-CG 3.87Å; Y275-F298 HydrophobicContact CE1-CG 3.87Å; Y275-F298 HydrophobicContact CE1-CZ 4.16Å; Y275-F298 HydrophobicContact CE2-CB 4.38Å; Y275-F298 HydrophobicContact CE2-CD1 4.28Å; Y275-F298 HydrophobicContact CE2-CG 4.46Å; Y275-F298 HydrophobicContact CG-CB 3.94Å; Y275-F298 HydrophobicContact CG-CD1 4.06Å; Y275-F298 HydrophobicContact CG-CD2 4.01Å; Y275-F298 AromaticContact CG-CG 3.7Å; Y275-F298 HydrophobicContact CG-CG 3.7Å; Y275-F298 AromaticContact CZ-CD1 3.75Å; L293-F298 HydrophobicContact CB-CB 4.29Å; L293-F298 HydrophobicContact CD1-CD2 4.37Å; C294-F298 PolarHBondContact O-N 3.48Å; F298-S300 PolarHBondContact O-N 2.94Å; F298-D301 PolarHBondContact O-N 2.71Å; F298-Y309 HydrophobicContact CD2-CD1 4.13Å; F298-Y309 HydrophobicContact CD2-CE1 4.16Å; F298-Y309 HydrophobicContact CD2-CG 4.35Å; F298-Y309 AromaticContact CE2-CD1 3.83Å; F298-Y309 HydrophobicContact CE2-CD1 3.83Å; F298-Y309 AromaticContact CE2-CD2 3.67Å; F298-Y309 HydrophobicContact CE2-CD2 3.67Å; F298-Y309 HydrophobicContact CE2-CE1 4.13Å; F298-Y309 AromaticContact CE2-CE2 3.97Å; F298-Y309 HydrophobicContact CE2-CE2 3.97Å; F298-Y309 AromaticContact CE2-CG 3.58Å; F298-Y309 HydrophobicContact CE2-CG 3.58Å; F298-Y309 HydrophobicContact CZ-CD2 4.48Å; F298-Y309 HydrophobicContact CZ-CG 4.46Å; F298-V322 HydrophobicContact CE1-CG1 3.85Å; F298-V322 HydrophobicContact CZ-CB 4.46Å; F298-V322 HydrophobicContact CZ-CG1 3.77Å; F298-V322 HydrophobicContact CZ-CG2 4.31Å
299R74.3Confident82.4Confident27 Ų2750.8 Ų50.810%0.10226%0.257CS..THydrogen-bonded Turntrans-82.47178.9-57-173.6-164.811814.9115.1E217 K221 Y275 S295 R326E217-R299 IonicContact OE2-CZ 2.92Å; E217-R299 VanDerWaalsContact OE2-CZ 3.23Å; E217-R299 IonicContact OE2-NH1 3.25Å; E217-R299 PolarHBondContact OE2-NH1 3.33Å; E217-R299 IonicContact OE2-NH2 2.68Å; E217-R299 PolarHBondContact OE2-NH2 3.11Å; K221-R299 VanDerWaalsContact CE-O 3.3Å; K221-R299 WeakPolarHBondContact CE-O 3.16Å; K221-R299 PolarHBondContact NZ-O 3.29Å; Y275-R299 PolarHBondContact OH-NH2 3.09Å; Y275-R299 VanDerWaalsContact OH-NH2 3.12Å; S295-R299 WeakPolarHBondContact O-CB 3.42Å; S295-R299 VanDerWaalsContact O-CG 3.27Å; S295-R299 WeakPolarHBondContact O-CG 3.03Å; S295-R299 PolarHBondContact O-N 3.15Å; R299-R326 PolarHBondContact NE-O 3.03Å
300S74.9Confident83.1Confident55 Ų5549 Ų4939%0.38525%0.248SC..THydrogen-bonded Turntrans-121.620.8172-48.30000110.9L296 C297 F298 K302L296-S300 VanDerWaalsContact O-CB 3.24Å; L296-S300 WeakPolarHBondContact O-CB 3.45Å; L296-S300 PolarHBondContact O-N 2.77Å; L296-S300 PolarHBondContact O-OG 2.68Å; C297-S300 CarbonylContact O-C 3.55Å; C297-S300 PolarHBondContact O-N 2.99Å; F298-S300 PolarHBondContact O-N 2.94Å; S300-K302 VanDerWaalsContact C-N 3.26Å; S300-K302 WeakPolarHBondContact O-CD 3.28Å; S300-K302 WeakPolarHBondContact O-CG 3.3Å; S300-K302 PolarHBondContact O-N 3.45Å
301D78.7Confident83.3Confident46 Ų4647.6 Ų47.625%0.24624%0.241CC..THydrogen-bonded Turntrans58.341.2159.8-35.9-42.7000111.4C297 F298 H303 L304 I330C297-D301 PolarHBondContact O-N 3.18Å; F298-D301 PolarHBondContact O-N 2.71Å; D301-H303 VanDerWaalsContact C-N 3.31Å; D301-H303 PolarHBondContact O-N 2.95Å; D301-L304 HydrophobicContact CB-CD1 4Å; D301-L304 HydrophobicContact CB-CD2 4.2Å; D301-L304 HydrophobicContact CB-CG 4.06Å; D301-L304 WeakPolarHBondContact O-CD1 3.34Å; D301-L304 WeakPolarHBondContact O-CG 3.41Å; D301-I330 HydrophobicContact CB-CD1 4.33Å
302K82.2Confident83Confident126 Ų12649.7 Ų49.755%0.54825%0.249SC..SBendtrans-85.44.3-172.4-64.5-54.5-173.3-173.40115.5S264 C297 S300S264-K302 VanDerWaalsContact OG-CB 3.29Å; S264-K302 WeakPolarHBondContact OG-CB 3.29Å; S264-K302 WeakPolarHBondContact OG-CG 3.25Å; C297-K302 HydrophobicContact CB-CB 4.16Å; C297-K302 HydrophobicContact CB-CG 4.19Å; C297-K302 WeakPolarHBondContact O-CB 3.45Å; C297-K302 PolarHBondContact O-N 2.88Å; S300-K302 VanDerWaalsContact C-N 3.26Å; S300-K302 WeakPolarHBondContact O-CD 3.28Å; S300-K302 WeakPolarHBondContact O-CG 3.3Å; S300-K302 PolarHBondContact O-N 3.45Å
303H83.5Confident82.3Confident17 Ų1749.9 Ų49.98%0.07925%0.25CC..  trans-152.582.2173.1-179.432.1000106.9C280 L293 D301 Q305 H306 Y309C280-H303 VanDerWaalsContact SG-CE1 3.58Å; C280-H303 PolarHBondContact SG-NE2 2.8Å; L293-H303 HydrophobicContact CD1-CB 3.99Å; D301-H303 VanDerWaalsContact C-N 3.31Å; D301-H303 PolarHBondContact O-N 2.95Å; H303-Q305 PolarHBondContact ND1-OE1 2.98Å; H303-H306 AromaticContact CE1-CE1 3.95Å; H303-H306 AromaticContact CE1-ND1 3.28Å; H303-H306 PolarHBondContact CE1-ND1 3.49Å; H303-H306 VanDerWaalsContact CE1-ND1 3.28Å; H303-H306 AromaticContact NE2-ND1 3.31Å; H303-H306 PolarHBondContact NE2-ND1 2.96Å; H303-Y309 WeakPolarHBondContact CB-OH 3.42Å; H303-Y309 PolarHBondContact CD2-OH 3.33Å; H303-Y309 PolarHBondContact O-OH 2.81Å
304L79.4Confident81.6Confident82 Ų8252.9 Ų52.943%0.42927%0.268SS..  trans-92-1.6-176.2-84.8165.8000113.2D301 H306 I330D301-L304 HydrophobicContact CB-CD1 4Å; D301-L304 HydrophobicContact CB-CD2 4.2Å; D301-L304 HydrophobicContact CB-CG 4.06Å; D301-L304 WeakPolarHBondContact O-CD1 3.34Å; D301-L304 WeakPolarHBondContact O-CG 3.41Å; L304-H306 PolarHBondContact O-N 3.41Å; L304-I330 HydrophobicContact CD1-CD1 4.45Å; L304-I330 HydrophobicContact CD2-CD1 4.47Å; L304-I330 HydrophobicContact CD2-CG1 4.43Å
305Q78.1Confident81.4Confident141 Ų14154 Ų5466%0.65928%0.275SS*.SBendtrans-65.9-25.9178-65.380.42.600112.6H303H303-Q305 PolarHBondContact ND1-OE1 2.98Å
306H81.9Confident81.3Confident45 Ų4564.3 Ų64.321%0.20832%0.315CS..  trans-135.8148.2-174.6-57.6139000110.1C277 I279 C280 H303 L304 Y309C277-H306 WeakPolarHBondContact SG-CB 3.44Å; C277-H306 PolarHBondContact SG-ND1 2.93Å; C277-H306 VanDerWaalsContact SG-ND1 3.35Å; I279-H306 HydrophobicContact CB-CB 4.48Å; I279-H306 HydrophobicContact CD1-CB 4.05Å; C280-H306 PolarHBondContact SG-CE1 3.42Å; C280-H306 PolarHBondContact SG-ND1 2.91Å; H303-H306 AromaticContact CE1-CE1 3.95Å; H303-H306 AromaticContact CE1-ND1 3.28Å; H303-H306 PolarHBondContact CE1-ND1 3.49Å; H303-H306 VanDerWaalsContact CE1-ND1 3.28Å; H303-H306 AromaticContact NE2-ND1 3.31Å; H303-H306 PolarHBondContact NE2-ND1 2.96Å; L304-H306 PolarHBondContact O-N 3.41Å; H306-Y309 VanDerWaalsContact O-CE2 3.23Å; H306-Y309 WeakPolarHBondContact O-CE2 3.2Å
307D79.2Confident81.2Confident138 Ų13861.4 Ų61.474%0.73831%0.306SS*.  trans-112.8-22.4-179.764.5-20.6000113.5Y309D307-Y309 WeakPolarHBondContact O-CD2 3.39Å; D307-Y309 PolarHBondContact O-N 2.84Å; D307-Y309 VanDerWaalsContact O-N 3.13Å
308L85.6Confident81.1Confident95 Ų9568.1 Ų68.150%0.49733%0.334SS..  trans-7698.9-179.7-169.364.2000112E278 I279E278-L308 HydrophobicContact CB-CD2 3.91Å; E278-L308 HydrophobicContact CB-CG 3.99Å; E278-L308 HydrophobicContact CG-CD2 4.41Å; E278-L308 HydrophobicContact CG-CG 4.16Å; E278-L308 PolarHBondContact N-O 2.9Å; I279-L308 HydrophobicContact CG1-CB 4.44Å
309Y87.8Confident81.3Confident27 Ų2770.2 Ų70.211%0.10634%0.341CS..EExtended strand (participates in β ladder)trans-123.5141.2-179.5-74-84.9000113.9R276 C277 L293 F298 H303 H306 D307 V322R276-Y309 WeakPolarHBondContact O-CA 3.32Å; R276-Y309 WeakPolarHBondContact O-CD1 3.33Å; C277-Y309 HydrophobicContact CB-CD1 4.07Å; C277-Y309 HydrophobicContact CB-CE1 3.62Å; L293-Y309 HydrophobicContact CD1-CE1 3.85Å; F298-Y309 HydrophobicContact CD2-CD1 4.13Å; F298-Y309 HydrophobicContact CD2-CE1 4.16Å; F298-Y309 HydrophobicContact CD2-CG 4.35Å; F298-Y309 AromaticContact CE2-CD1 3.83Å; F298-Y309 HydrophobicContact CE2-CD1 3.83Å; F298-Y309 AromaticContact CE2-CD2 3.67Å; F298-Y309 HydrophobicContact CE2-CD2 3.67Å; F298-Y309 HydrophobicContact CE2-CE1 4.13Å; F298-Y309 AromaticContact CE2-CE2 3.97Å; F298-Y309 HydrophobicContact CE2-CE2 3.97Å; F298-Y309 AromaticContact CE2-CG 3.58Å; F298-Y309 HydrophobicContact CE2-CG 3.58Å; F298-Y309 HydrophobicContact CZ-CD2 4.48Å; F298-Y309 HydrophobicContact CZ-CG 4.46Å; H303-Y309 WeakPolarHBondContact CB-OH 3.42Å; H303-Y309 PolarHBondContact CD2-OH 3.33Å; H303-Y309 PolarHBondContact O-OH 2.81Å; H306-Y309 VanDerWaalsContact O-CE2 3.23Å; H306-Y309 WeakPolarHBondContact O-CE2 3.2Å; D307-Y309 WeakPolarHBondContact O-CD2 3.39Å; D307-Y309 PolarHBondContact O-N 2.84Å; D307-Y309 VanDerWaalsContact O-N 3.13Å; Y309-V322 WeakPolarHBondContact O-CG2 3.5Å; Y309-V322 PolarHBondContact O-N 2.59Å
310V89Confident81.6Confident20 Ų2071 Ų7112%0.12135%0.347CS..EExtended strand (participates in β ladder)trans-115.1161.3163.2-61.20000110.8Y275 R276 E278 W319 L320Y275-V310 CarbonylContact C-O 3.57Å; Y275-V310 WeakPolarHBondContact CA-O 3.43Å; R276-V310 HydrophobicContact CB-CG2 4.01Å; R276-V310 PolarHBondContact N-O 3.24Å; R276-V310 PolarHBondContact O-N 2.81Å; E278-V310 HydrophobicContact CG-CG1 4.06Å; E278-V310 HydrophobicContact CG-CG2 4.31Å; E278-V310 WeakPolarHBondContact OE1-CG2 3.48Å; V310-W319 HydrophobicContact CB-CB 4.16Å; V310-W319 HydrophobicContact CB-CE3 4.28Å; V310-W319 HydrophobicContact CG2-CB 4.04Å; V310-W319 HydrophobicContact CG2-CD2 3.94Å; V310-W319 HydrophobicContact CG2-CE3 3.61Å; V310-W319 HydrophobicContact CG2-CG 4.15Å; V310-W319 HydrophobicContact CG2-CZ3 4.31Å; V310-L320 CarbonylContact C-O 3.51Å; V310-L320 VanDerWaalsContact CA-O 3.25Å; V310-L320 WeakPolarHBondContact CA-O 3.35Å; V310-L320 WeakPolarHBondContact CB-O 3.45Å
311Y88.6Confident81.9Confident8 Ų876.5 Ų76.53%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-138.1161.1173.980.6-78.2000111.6I274 Y275 E313 W319 L320 E321 V322 R326I274-Y311 CarbonylContact O-C 3.35Å; I274-Y311 VanDerWaalsContact O-CA 3.23Å; I274-Y311 WeakPolarHBondContact O-CA 3.37Å; I274-Y311 WeakPolarHBondContact O-CB 3.39Å; Y275-Y311 HydrophobicContact CE1-CG 4.41Å; Y311-E313 HydrophobicContact CD2-CG 4.19Å; Y311-E313 HydrophobicContact CE2-CG 3.6Å; Y311-W319 VanDerWaalsContact C-CE3 3.44Å; Y311-W319 CarbonylContact O-C 3.54Å; Y311-W319 WeakPolarHBondContact O-CA 3.5Å; Y311-L320 HydrophobicContact CD1-CB 4.16Å; Y311-L320 VanDerWaalsContact CD1-O 3.25Å; Y311-L320 WeakPolarHBondContact CD1-O 3.33Å; Y311-L320 HydrophobicContact CE1-CB 3.6Å; Y311-L320 HydrophobicContact CE1-CD1 4.44Å; Y311-L320 HydrophobicContact CE2-CD1 4.31Å; Y311-L320 PolarHBondContact N-O 3.3Å; Y311-L320 PolarHBondContact O-N 2.7Å; Y311-L320 WeakPolarHBondContact OH-CD1 3.48Å; Y311-E321 VanDerWaalsContact CE1-O 3.27Å; Y311-E321 WeakPolarHBondContact CE1-O 3.48Å; Y311-V322 HydrophobicContact CD1-CB 4.47Å; Y311-V322 HydrophobicContact CD1-CG2 3.89Å; Y311-V322 HydrophobicContact CG-CG2 4.43Å; Y311-R326 PolarHBondContact OH-NH1 2.83Å
312R83.7Confident81.8Confident44 Ų4475.6 Ų75.617%0.16636%0.363CS..EExtended strand (participates in β ladder)trans-135.7145.8166.459.8-178.5170.2171.9-7.4110.2I274 P315 K318 W319I274-R312 HydrophobicContact CG2-CG 3.36Å; I274-R312 PolarHBondContact N-O 2.75Å; I274-R312 PolarHBondContact O-N 2.87Å; R312-P315 PolarHBondContact NH1-O 3.18Å; R312-K318 WeakPolarHBondContact CB-O 3.44Å; R312-W319 HydrophobicContact CB-CD2 4.34Å; R312-W319 HydrophobicContact CB-CE3 4.02Å; R312-W319 HydrophobicContact CB-CZ3 4.37Å; R312-W319 HydrophobicContact CG-CD2 4.18Å; R312-W319 HydrophobicContact CG-CE3 3.83Å; R312-W319 HydrophobicContact CG-CH2 3.97Å; R312-W319 HydrophobicContact CG-CZ2 4.29Å; R312-W319 HydrophobicContact CG-CZ3 3.73Å
313E78.1Confident80.9Confident33 Ų3370.5 Ų70.515%0.15434%0.342CS..SBendtrans-91.3-10.8-178.7-55.9-152.7160.900114R165 R213 T255 Y311 R326R165-E313 IonicContact NE-OE2 3.18Å; R165-E313 IonicContact NH2-OE1 3.24Å; R165-E313 PolarHBondContact NH2-OE1 2.84Å; R165-E313 IonicContact NH2-OE2 3.76Å; R213-E313 PolarHBondContact NH1-O 3.48Å; R213-E313 VanDerWaalsContact NH1-O 3.12Å; R213-E313 VanDerWaalsContact NH2-CD 3.32Å; R213-E313 IonicContact NH2-OE1 3.56Å; R213-E313 IonicContact NH2-OE2 2.69Å; R213-E313 PolarHBondContact NH2-OE2 2.85Å; T255-E313 WeakPolarHBondContact CB-O 3.36Å; T255-E313 VanDerWaalsContact CG2-O 3.28Å; T255-E313 WeakPolarHBondContact CG2-O 3.36Å; T255-E313 PolarHBondContact OG1-O 2.83Å; T255-E313 VanDerWaalsContact OG1-O 3.09Å; Y311-E313 HydrophobicContact CD2-CG 4.19Å; Y311-E313 HydrophobicContact CE2-CG 3.6Å; E313-R326 IonicContact OE1-CZ 3.76Å; E313-R326 VanDerWaalsContact OE1-CZ 3.25Å; E313-R326 IonicContact OE1-NH1 4Å; E313-R326 PolarHBondContact OE1-NH1 3.36Å; E313-R326 IonicContact OE1-NH2 3.43Å; E313-R326 PolarHBondContact OE1-NH2 3.28Å
314T76Confident79.7Confident65 Ų6573.4 Ų73.440%0.39936%0.363SS..SBendtrans-143.9155.5-179.262.60000110.8T255 H257 Y316 G317T255-T314 HydrophobicContact CG2-CG2 4.11Å; H257-T314 PolarHBondContact CE1-O 2.81Å; T314-Y316 VanDerWaalsContact C-N 3.27Å; T314-Y316 PolarHBondContact O-N 3.38Å; T314-G317 PolarHBondContact O-N 2.71Å; T314-G317 WeakPolarHBondContact OG1-CA 3.36Å; T314-G317 PolarHBondContact OG1-N 3.14Å; T314-G317 VanDerWaalsContact OG1-N 3.11Å
315P80.6Confident78.7Confident37 Ų3770 Ų7024%0.2435%0.345CS..THydrogen-bonded Turntrans-57.3-34.3-177.7-2937.3000114.9K256 R312K256-P315 WeakPolarHBondContact O-CG 3.27Å; R312-P315 PolarHBondContact NH1-O 3.18Å
316Y79.5Confident77.8Confident223 Ų22363.9 Ų63.988%0.87532%0.316SS*.THydrogen-bonded Turntrans-106.79.9-179.1-47.4-64000113.3T314T314-Y316 VanDerWaalsContact C-N 3.27Å; T314-Y316 PolarHBondContact O-N 3.38Å
317G76.3Confident76.1Confident25 Ų2562.6 Ų62.626%0.25832%0.315SS..SBendtrans-77.4153.1177.400000112.3T314T314-G317 PolarHBondContact O-N 2.71Å; T314-G317 WeakPolarHBondContact OG1-CA 3.36Å; T314-G317 PolarHBondContact OG1-N 3.14Å; T314-G317 VanDerWaalsContact OG1-N 3.11Å
318K81.5Confident74.3Confident151 Ų15158.1 Ų58.166%0.65730%0.297SS*.PPolyproline II helixtrans-57.3147.2168.8-64-159.8-172-176.20110.4Y134 R312Y134-K318 WeakPolarHBondContact OH-CD 3.48Å; R312-K318 WeakPolarHBondContact CB-O 3.44Å
319W87.6Confident71.9Confident69 Ų6958.7 Ų58.726%0.26130%0.299SS..PPolyproline II helixtrans-68.5144.5161.4-64.9106.3000109.8I274 R276 F292 V310 Y311 R312I274-W319 HydrophobicContact CG2-CH2 3.94Å; I274-W319 HydrophobicContact CG2-CZ3 4.1Å; R276-W319 HydrophobicContact CB-CE3 4.32Å; R276-W319 HydrophobicContact CB-CH2 3.68Å; R276-W319 HydrophobicContact CB-CZ2 4.33Å; R276-W319 HydrophobicContact CB-CZ3 3.67Å; F292-W319 HydrophobicContact CD1-CH2 4.11Å; F292-W319 AromaticContact CE1-CH2 3.75Å; F292-W319 HydrophobicContact CE1-CH2 3.75Å; F292-W319 AromaticContact CE1-CZ2 3.87Å; F292-W319 HydrophobicContact CE1-CZ2 3.87Å; V310-W319 HydrophobicContact CB-CB 4.16Å; V310-W319 HydrophobicContact CB-CE3 4.28Å; V310-W319 HydrophobicContact CG2-CB 4.04Å; V310-W319 HydrophobicContact CG2-CD2 3.94Å; V310-W319 HydrophobicContact CG2-CE3 3.61Å; V310-W319 HydrophobicContact CG2-CG 4.15Å; V310-W319 HydrophobicContact CG2-CZ3 4.31Å; Y311-W319 VanDerWaalsContact C-CE3 3.44Å; Y311-W319 CarbonylContact O-C 3.54Å; Y311-W319 WeakPolarHBondContact O-CA 3.5Å; R312-W319 HydrophobicContact CB-CD2 4.34Å; R312-W319 HydrophobicContact CB-CE3 4.02Å; R312-W319 HydrophobicContact CB-CZ3 4.37Å; R312-W319 HydrophobicContact CG-CD2 4.18Å; R312-W319 HydrophobicContact CG-CE3 3.83Å; R312-W319 HydrophobicContact CG-CH2 3.97Å; R312-W319 HydrophobicContact CG-CZ2 4.29Å; R312-W319 HydrophobicContact CG-CZ3 3.73Å
320L82.5Confident69.3Low43 Ų4360.7 Ų60.723%0.22531%0.311CS..EExtended strand (participates in β ladder)trans-135.5144.7-177.1-61.1173000108.9Y134 V310 Y311Y134-L320 HydrophobicContact CE2-CD2 4.18Å; V310-L320 CarbonylContact C-O 3.51Å; V310-L320 VanDerWaalsContact CA-O 3.25Å; V310-L320 WeakPolarHBondContact CA-O 3.35Å; V310-L320 WeakPolarHBondContact CB-O 3.45Å; Y311-L320 HydrophobicContact CD1-CB 4.16Å; Y311-L320 VanDerWaalsContact CD1-O 3.25Å; Y311-L320 WeakPolarHBondContact CD1-O 3.33Å; Y311-L320 HydrophobicContact CE1-CB 3.6Å; Y311-L320 HydrophobicContact CE1-CD1 4.44Å; Y311-L320 HydrophobicContact CE2-CD1 4.31Å; Y311-L320 PolarHBondContact N-O 3.3Å; Y311-L320 PolarHBondContact O-N 2.7Å; Y311-L320 WeakPolarHBondContact OH-CD1 3.48Å
321E80.6Confident66.4Low172 Ų17262.8 Ų62.880%0.80432%0.322SS*.EExtended strand (participates in β ladder)trans-55.3137.2171.7-62.517717400111.2Y311 P323Y311-E321 VanDerWaalsContact CE1-O 3.27Å; Y311-E321 WeakPolarHBondContact CE1-O 3.48Å; E321-P323 VanDerWaalsContact O-CD 3.26Å; E321-P323 WeakPolarHBondContact O-CD 3.2Å
322V75.4Confident63.7Low26 Ų2668.9 Ų68.916%0.15836%0.36CS..PPolyproline II helixtrans-73120.6176.71790000110.8Y275 F298 Y309 Y311 R326Y275-V322 HydrophobicContact CD1-CG2 3.76Å; Y275-V322 HydrophobicContact CE1-CG1 4.21Å; Y275-V322 HydrophobicContact CE1-CG2 3.96Å; F298-V322 HydrophobicContact CE1-CG1 3.85Å; F298-V322 HydrophobicContact CZ-CB 4.46Å; F298-V322 HydrophobicContact CZ-CG1 3.77Å; F298-V322 HydrophobicContact CZ-CG2 4.31Å; Y309-V322 WeakPolarHBondContact O-CG2 3.5Å; Y309-V322 PolarHBondContact O-N 2.59Å; Y311-V322 HydrophobicContact CD1-CB 4.47Å; Y311-V322 HydrophobicContact CD1-CG2 3.89Å; Y311-V322 HydrophobicContact CG-CG2 4.43Å; V322-R326 HydrophobicContact CG1-CB 4.1Å
323P64.4Low61.1Low19 Ų1971.3 Ų71.312%0.12338%0.383CS..PPolyproline II helixtrans-62.5143.1177.3-23.834.9000112.1E321 N325 R326E321-P323 VanDerWaalsContact O-CD 3.26Å; E321-P323 WeakPolarHBondContact O-CD 3.2Å; P323-N325 PolarHBondContact O-N 2.77Å; P323-R326 HydrophobicContact CB-CB 4.47Å; P323-R326 PolarHBondContact O-N 3.03Å
324P58.4Low58.8Low78 Ų7872.2 Ų72.251%0.50640%0.401SS..THydrogen-bonded Turntrans-57.3-11.7-175.1-29.435.9000117.3R158 I329R158-P324 PolarHBondContact NH1-O 3.48Å; P324-I329 HydrophobicContact CB-CD1 4.32Å
325N57.4Low56.5Low10 Ų1075.9 Ų75.95%0.05341%0.414CS..THydrogen-bonded Turntrans-114.712.1-179-65.511000112.8L153 V161 P323L153-N325 PolarHBondContact O-ND2 3.5Å; V161-N325 HydrophobicContact CG2-CB 3.6Å; P323-N325 PolarHBondContact O-N 2.77Å
326R59.2Low54.3Low14 Ų1480.2 Ų80.25%0.05343%0.434CS..SBendtrans-96.80.6176.8-106.7-176.9172-161.5-3.7114.8E214 N273 R299 Y311 E313 V322 P323E214-R326 IonicContact OE1-CZ 2.75Å; E214-R326 IonicContact OE1-NH2 3.83Å; E214-R326 PolarHBondContact OE1-NH2 3.2Å; N273-R326 PolarHBondContact ND2-NH1 2.9Å; R299-R326 PolarHBondContact NE-O 3.03Å; Y311-R326 PolarHBondContact OH-NH1 2.83Å; E313-R326 IonicContact OE1-CZ 3.76Å; E313-R326 VanDerWaalsContact OE1-CZ 3.25Å; E313-R326 IonicContact OE1-NH1 4Å; E313-R326 PolarHBondContact OE1-NH1 3.36Å; E313-R326 IonicContact OE1-NH2 3.43Å; E313-R326 PolarHBondContact OE1-NH2 3.28Å; V322-R326 HydrophobicContact CG1-CB 4.1Å; P323-R326 HydrophobicContact CB-CB 4.47Å; P323-R326 PolarHBondContact O-N 3.03Å
327G46.5Very low52Low18 Ų1875.8 Ų75.819%0.18643%0.43CS..SBendtrans-150.6176.516700000110.1I329G327-I329 PolarHBondContact O-N 2.89Å
328A41.8Very low49.7Very low44 Ų4480.3 Ų80.336%0.36445%0.448SS..  trans-87.492.2171.400000108.2I330A328-I330 PolarHBondContact O-N 2.88Å
329I35.8Very low47.2Very low106 Ų10682.5 Ų82.554%0.54446%0.458SS..  trans-75.378.2171.9-51.8-177.4000108.3P324 G327P324-I329 HydrophobicContact CB-CD1 4.32Å; G327-I329 PolarHBondContact O-N 2.89Å
330I31.9Very low44.6Very low69 Ų6986.1 Ų86.135%0.35449%0.487SS..  trans-69.3138.9150.236.8172.4000107.8D301 L304 A328D301-I330 HydrophobicContact CB-CD1 4.33Å; L304-I330 HydrophobicContact CD1-CD1 4.45Å; L304-I330 HydrophobicContact CD2-CD1 4.47Å; L304-I330 HydrophobicContact CD2-CG1 4.43Å; A328-I330 PolarHBondContact O-N 2.88Å
331N28.2Very low42Very low65 Ų6592.3 Ų92.335%0.34852%0.515SS..  trans-68.7168.9169.253.125.7000110.3S333 G334 Q335N331-S333 PolarHBondContact O-N 2.86Å; N331-S333 PolarHBondContact OD1-N 3.24Å; N331-G334 PolarHBondContact O-N 3.05Å; N331-G334 PolarHBondContact OD1-N 3.07Å; N331-Q335 PolarHBondContact ND2-O 2.85Å; N331-Q335 PolarHBondContact OD1-N 2.97Å; N331-Q335 PolarHBondContact OD1-O 2.79Å
332V31.6Very low39.7Very low136 Ų13692 Ų9282%0.82451%0.514SS*.THydrogen-bonded Turntrans-58.2-15.3-179.8-160.40000112.8
333S29.5Very low37.6Very low94 Ų9497 Ų9766%0.65754%0.539SS*.THydrogen-bonded Turntrans-98.7-3.7177.9-45.40000114.7N331 Q335N331-S333 PolarHBondContact O-N 2.86Å; N331-S333 PolarHBondContact OD1-N 3.24Å; S333-Q335 VanDerWaalsContact C-N 3.29Å; S333-Q335 PolarHBondContact O-N 3.34Å
334G30.8Very low36Very low52 Ų52100 Ų10054%0.53656%0.561SS.*  trans68.715.3179.300000116.1N331N331-G334 PolarHBondContact O-N 3.05Å; N331-G334 PolarHBondContact OD1-N 3.07Å
335Q27.8Very low34.8Very low142 Ų142103.2 Ų103.266%0.66457%0.569SS**  trans-108.1132.2-173-69.6-177.6-200112.9N331 S333N331-Q335 PolarHBondContact ND2-O 2.85Å; N331-Q335 PolarHBondContact OD1-N 2.97Å; N331-Q335 PolarHBondContact OD1-O 2.79Å; S333-Q335 VanDerWaalsContact C-N 3.29Å; S333-Q335 PolarHBondContact O-N 3.34Å
336L33.2Very low33.6Very low128 Ų128108.7 Ų108.767%0.6760%0.598SS**  trans-67.2134.5169.2-74.8167.9000110.4N338L336-N338 PolarHBondContact O-N 3.09Å; L336-N338 VanDerWaalsContact O-N 3.13Å
337V31.5Very low32.2Very low130 Ų130114 Ų11479%0.78863%0.627SS**  trans-75.2102.4175.9-179.40000109.4
338N28.6Very low31.5Very low120 Ų120120.4 Ų120.464%0.64265%0.652SS**  trans-102.5120.5173.9-79.6-20.4000111.4L336L336-N338 PolarHBondContact O-N 3.09Å; L336-N338 VanDerWaalsContact O-N 3.13Å
339K29.2Very low30.9Very low197 Ų197126.3 Ų126.386%0.85768%0.677SS**  trans-143134.5153.3-69.7-173.5177.9-177.40105
340V31.3Very low30.7Very low145 Ų145125.9 Ų125.988%0.87968%0.684SS**  cis-123.21707.9177.90000109.5
341Q29.6Very low30.6Very low174 Ų174125.7 Ų125.781%0.81369%0.688SS**  trans-96.1168-172.9-167.3166.5-25.400112.3
342E30.9Very low30.6Very low164 Ų164127.9 Ų127.977%0.76670%0.704SS**  trans78.9144.9174-63-164.3-125.200117.4
343N31.5Very low30.6Very low131 Ų131127.9 Ų127.970%0.70170%0.695SS**  cis-151.8176.6-13.8-133.9-38.5000114.5
344S31.9Very low30.8Very low82 Ų82130 Ų13057%0.57369%0.693SS**  trans-54.4165.5168.2-75.40000116.9
345E32.1Very low30.8Very low146 Ų146134.3 Ų134.368%0.68270%0.697SS**  cis-169.8157.3-3.5-111.7165.2-118.500113.3
346N32.2Very low31.1Very low125 Ų125131.8 Ų131.867%0.66869%0.688SS**  trans58.4155.3140.5-63.2-25.1000122.1
347L30.8Very low31Very low125 Ų125131 Ų13165%0.65468%0.681SS**  cis-154.7152.3-4-147.271.9000113.4
348Q30.5Very low31.1Very low153 Ų153130.9 Ų130.972%0.71568%0.675SS**  trans28.6126.9148.1-70.6159.721.500122.9
349L29.6Very low31.3Very low168 Ų168131.1 Ų131.188%0.8868%0.675SS**  74.114384.9-113.677000115.3
350S31.4Very low31.5Very low98 Ų98129.7 Ų129.769%0.68568%0.675SS**  cis-153.5-165.38.8590000110
351S30.9Very low31.5Very low65 Ų65130.1 Ų130.146%0.45567%0.673SS.*  cis-160.1-156.28.263.40000114.3
352T28.8Very low31.9Very low110 Ų110131 Ų13168%0.67568%0.677SS**  trans-9.515615452.50000123
353E31.1Very low32.6Very low136 Ų136132.7 Ų132.764%0.63669%0.685SS**  cis-164.4150.45.3-120.8178.6-170.300116.1
354K33.1Very low33.8Very low140 Ų140129.8 Ų129.861%0.60967%0.674SS**  trans54.5156.2145.6-71.8160.7-164.81600120.9
355F30.3Very low35.7Very low141 Ų141134.3 Ų134.362%0.61868%0.683SS**  cis-163.61523.9-117.6-39000112.3
356N34.6Very low37.9Very low89 Ų89130.1 Ų130.148%0.47667%0.669SS.*  trans68.1149.1143.4-68.5-14.9000122.2
357H31.5Very low40.2Very low113 Ų113124.7 Ų124.752%0.52364%0.64SS.*  cis-168.3178.2-16.1-147.2-104.7000113.6
358L34Very low42.5Very low126 Ų126125 Ų12566%0.6664%0.638SS**  trans91.2172.9161.9-65.2175.4000121.2
359L32.6Very low44.8Very low126 Ų126123.7 Ų123.766%0.6664%0.635SS**  trans-159.3169.2-146.1-73.6159.7000111.6T64T64-L359 HydrophobicContact CG2-CD2 3.69Å; T64-L359 HydrophobicContact CG2-CG 4.32Å
360I33.6Very low47.1Very low167 Ų167119 Ų11986%0.85662%0.62SS**  trans-178148.6144.5-93.4152000110.5
361D29.7Very low49.5Very low153 Ų153117.6 Ų117.682%0.81860%0.603SS**  trans-128.4159.6-179.2-79.7-66.5000112
362E38.2Very low52Low192 Ų192114.6 Ų114.690%0.89758%0.582SS**  trans-137.2147163.3-77.9-162.5145.700111.8
363E45.5Very low54.4Low200 Ų200112.9 Ų112.994%0.93558%0.579SS**  trans-95.2125.3-172.1-63.8-168131.100115
364C56.9Low56.7Low71 Ų71111 Ų11148%0.4857%0.57SS.*  trans-101.7115.9175.2-78.10000113.8S475 T477C364-S475 PolarHBondContact O-OG 3.25Å; C364-T477 HydrophobicContact CB-CG2 3.81Å
365K72.6Confident58.9Low177 Ų177104.4 Ų104.477%0.7754%0.541SS*.PPolyproline II helixtrans-65.6155.4179.1-63.6178.3-177.5176.70113.3S476K365-S476 WeakPolarHBondContact O-CB 3.38Å; K365-S476 PolarHBondContact O-N 2.84Å; K365-S476 PolarHBondContact O-OG 3.34Å
366P78.3Confident61.1Low57 Ų57102.3 Ų102.337%0.3753%0.534SS..PPolyproline II helixtrans-72.9163.6174.631.1-36000113.5L471P366-L471 WeakPolarHBondContact CB-O 3.4Å
367L79.3Confident63.5Low12 Ų12102.9 Ų102.96%0.06353%0.533CS..PPolyproline II helixtrans-83.9150.2177.8-66.2-178.1000112.8E371 I375 L471L367-E371 HydrophobicContact CB-CB 4.22Å; L367-E371 HydrophobicContact CD2-CB 4.24Å; L367-I375 HydrophobicContact CD1-CD1 3.67Å; L367-L471 HydrophobicContact CD1-CB 4.32Å; L367-L471 HydrophobicContact CD1-CD2 4.24Å; L367-L471 PolarHBondContact N-O 3.15Å
368Q81.1Confident65.9Low132 Ų13299 Ų9962%0.61751%0.514SS*.PPolyproline II helixtrans-74.9157.7167.4-61.3-58.5-52.100111.9A370 E371 L372Q368-A370 VanDerWaalsContact C-N 3.26Å; Q368-A370 PolarHBondContact O-N 3.27Å; Q368-E371 HydrophobicContact CB-CG 4.18Å; Q368-E371 WeakPolarHBondContact CB-OE2 3.48Å; Q368-E371 PolarHBondContact N-OE2 2.95Å; Q368-E371 WeakPolarHBondContact O-CB 3.33Å; Q368-E371 PolarHBondContact O-N 2.92Å; Q368-L372 PolarHBondContact O-N 2.99Å
369L77.7Confident68.1Low124 Ų12495 Ų9565%0.64950%0.495SS*.Hα-helixtrans-60.4-34.7179.6-173.261.2000113E371 L372 A373 L472L369-E371 VanDerWaalsContact C-N 3.33Å; L369-L372 HydrophobicContact CD1-CD2 4.41Å; L369-A373 WeakPolarHBondContact O-CB 3.48Å; L369-A373 PolarHBondContact O-N 3.37Å; L369-L472 HydrophobicContact CB-CD2 4.21Å; L369-L472 HydrophobicContact CD1-CD1 4.18Å; L369-L472 HydrophobicContact CD1-CD2 4.03Å
370A77.6Confident70.3Confident69 Ų6989 Ų8957%0.5746%0.463SS*.Hα-helixtrans-69.2-28.5174.300000113.2Q368 Q374Q368-A370 VanDerWaalsContact C-N 3.26Å; Q368-A370 PolarHBondContact O-N 3.27Å; A370-Q374 PolarHBondContact O-NE2 3.38Å
371E82.7Confident72Confident69 Ų6988.5 Ų88.532%0.32245%0.451SS..Hα-helixtrans-77-42.5175.6-65.3176.1127.300110.6L367 Q368 L369 A373 Q374 P487L367-E371 HydrophobicContact CB-CB 4.22Å; L367-E371 HydrophobicContact CD2-CB 4.24Å; Q368-E371 HydrophobicContact CB-CG 4.18Å; Q368-E371 WeakPolarHBondContact CB-OE2 3.48Å; Q368-E371 PolarHBondContact N-OE2 2.95Å; Q368-E371 WeakPolarHBondContact O-CB 3.33Å; Q368-E371 PolarHBondContact O-N 2.92Å; L369-E371 VanDerWaalsContact C-N 3.33Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.86Å; E371-Q374 PolarHBondContact O-N 2.84Å; E371-Q374 VanDerWaalsContact O-N 3.16Å; E371-P487 HydrophobicContact CB-CG 3.98Å; E371-P487 HydrophobicContact CG-CG 4.23Å
372L82.9Confident73.1Confident2 Ų286.3 Ų86.31%0.0144%0.438CS..Hα-helixtrans-60-35.9171.6176.665.6000112.3Q368 L369 Q374 I375 R452 D468 L471 L472Q368-L372 PolarHBondContact O-N 2.99Å; L369-L372 HydrophobicContact CD1-CD2 4.41Å; L372-Q374 PolarHBondContact O-N 2.78Å; L372-I375 HydrophobicContact CD1-CD1 4.2Å; L372-I375 PolarHBondContact O-N 2.9Å; L372-I375 VanDerWaalsContact O-N 3.12Å; L372-R452 PolarHBondContact O-NH1 2.89Å; L372-D468 HydrophobicContact CD2-CB 3.68Å; L372-L471 HydrophobicContact CD1-CB 4.36Å; L372-L471 HydrophobicContact CD1-CD1 3.74Å; L372-L472 HydrophobicContact CB-CD2 4.14Å; L372-L472 HydrophobicContact CD2-CD1 3.68Å; L372-L472 HydrophobicContact CD2-CD2 3.81Å; L372-L472 HydrophobicContact CD2-CG 3.65Å
373A79.7Confident73.4Confident75 Ų7579.4 Ų79.462%0.6241%0.41SS*.THydrogen-bonded Turntrans-61.5-23.917800000113.6L369 E371L369-A373 WeakPolarHBondContact O-CB 3.48Å; L369-A373 PolarHBondContact O-N 3.37Å; E371-A373 VanDerWaalsContact C-N 3.27Å; E371-A373 PolarHBondContact O-N 2.86Å
374Q79.4Confident73.4Confident95 Ų9580 Ų8044%0.44441%0.409SS..THydrogen-bonded Turntrans-85.4-10.4178.2-69.9162.277.700113.4A370 E371 L372 P487A370-Q374 PolarHBondContact O-NE2 3.38Å; E371-Q374 PolarHBondContact O-N 2.84Å; E371-Q374 VanDerWaalsContact O-N 3.16Å; L372-Q374 PolarHBondContact O-N 2.78Å; Q374-P487 HydrophobicContact CB-CB 3.42Å; Q374-P487 VanDerWaalsContact CB-CB 3.42Å; Q374-P487 HydrophobicContact CG-CB 4.24Å
375I78.1Confident72.4Confident2 Ų283.6 Ų83.61%0.0142%0.424CS..SBendtrans-83122.1178.7-61.6171000110L367 L372 Q377 R452 L454 L471 I485L367-I375 HydrophobicContact CD1-CD1 3.67Å; L372-I375 HydrophobicContact CD1-CD1 4.2Å; L372-I375 PolarHBondContact O-N 2.9Å; L372-I375 VanDerWaalsContact O-N 3.12Å; I375-Q377 PolarHBondContact O-N 3.42Å; I375-R452 PolarHBondContact O-NH1 2.61Å; I375-L454 HydrophobicContact CG2-CD2 4.08Å; I375-L471 HydrophobicContact CD1-CD1 3.87Å; I375-I485 HydrophobicContact CD1-CG2 3.61Å; I375-I485 HydrophobicContact CG1-CG2 4.12Å
376H77.5Confident70.8Confident98 Ų9882.8 Ų82.845%0.45442%0.422SS..  trans-52.3121.2-171.9-177.3-98.9000113.8W378 R452 L453H376-W378 AromaticContact CE1-CD2 3.93Å; H376-W378 AromaticContact CE1-CE3 3.43Å; H376-W378 VanDerWaalsContact CE1-CE3 3.43Å; H376-W378 AromaticContact ND1-CE3 3.37Å; H376-W378 AromaticContact ND1-CZ3 3.63Å; H376-R452 VanDerWaalsContact O-CA 3.31Å; H376-R452 WeakPolarHBondContact O-CA 3.33Å; H376-L453 PolarHBondContact O-N 3.44Å; H376-L453 VanDerWaalsContact O-N 3.09Å
377Q83.8Confident68.7Low101 Ų10189.2 Ų89.247%0.47245%0.445SS..EExtended strand (participates in β ladder)trans-125.2145.2174.267.3174.7-18.300111.8I375 V451 R452I375-Q377 PolarHBondContact O-N 3.42Å; Q377-V451 CarbonylContact C-O 3.53Å; Q377-V451 WeakPolarHBondContact CA-O 3.16Å; Q377-R452 HydrophobicContact CB-CG 3.62Å
378W81.6Confident66.3Low31 Ų3195.5 Ų95.512%0.11748%0.478CS..EExtended strand (participates in β ladder)trans-149.3-178.7174.174.3110.5000111.3H376 F427 L431 K450 V451 L453 T461H376-W378 AromaticContact CE1-CD2 3.93Å; H376-W378 AromaticContact CE1-CE3 3.43Å; H376-W378 VanDerWaalsContact CE1-CE3 3.43Å; H376-W378 AromaticContact ND1-CE3 3.37Å; H376-W378 AromaticContact ND1-CZ3 3.63Å; W378-F427 HydrophobicContact CH2-CD1 4.48Å; W378-F427 HydrophobicContact CZ2-CD1 4.25Å; W378-L431 HydrophobicContact CH2-CD1 4.31Å; W378-L431 HydrophobicContact CZ2-CD1 3.62Å; W378-K450 WeakPolarHBondContact O-CA 3.44Å; W378-V451 HydrophobicContact CD2-CG2 3.69Å; W378-V451 HydrophobicContact CE3-CG2 3.89Å; W378-V451 HydrophobicContact CG-CG2 4.35Å; W378-V451 HydrophobicContact CH2-CG2 3.83Å; W378-V451 HydrophobicContact CZ2-CG2 3.66Å; W378-V451 HydrophobicContact CZ3-CG2 3.93Å; W378-V451 PolarHBondContact N-O 3.39Å; W378-V451 PolarHBondContact O-N 2.87Å; W378-L453 HydrophobicContact CH2-CB 3.94Å; W378-L453 HydrophobicContact CZ3-CB 3.63Å; W378-T461 HydrophobicContact CH2-CG2 4.12Å
379T81.8Confident64Low42 Ų4298.1 Ų98.126%0.25849%0.488SS..EExtended strand (participates in β ladder)trans-115.1128.5175.8-56.80000108.8R381 N448 D449T379-R381 PolarHBondContact O-N 2.97Å; T379-N448 HydrophobicContact CG2-CB 4.48Å; T379-D449 WeakPolarHBondContact CA-O 3.42Å
380I77.6Confident61.6Low0 Ų097.9 Ų97.90%049%0.492CS..  trans-67128.1179.1-61.8177.8000109.6L431 L432 F445 N448 D449 V451I380-L431 HydrophobicContact CD1-CB 4.01Å; I380-L431 HydrophobicContact CD1-CD1 3.94Å; I380-L431 HydrophobicContact CG1-CD1 4.27Å; I380-L432 HydrophobicContact CG2-CD1 3.9Å; I380-L432 HydrophobicContact CG2-CD2 3.86Å; I380-L432 HydrophobicContact CG2-CG 3.81Å; I380-F445 HydrophobicContact CD1-CB 3.69Å; I380-F445 HydrophobicContact CD1-CD1 4.03Å; I380-F445 HydrophobicContact CD1-CG 4.08Å; I380-N448 WeakPolarHBondContact O-CA 3.42Å; I380-N448 PolarHBondContact O-N 2.81Å; I380-D449 HydrophobicContact CD1-CB 4.35Å; I380-D449 PolarHBondContact N-O 2.93Å; I380-V451 HydrophobicContact CD1-CG1 3.84Å; I380-V451 HydrophobicContact CD1-CG2 4.24Å; I380-V451 HydrophobicContact CG1-CG1 4.24Å; I380-V451 HydrophobicContact CG1-CG2 3.87Å
381R68.9Low59.3Low156 Ų156100.8 Ų100.859%0.58951%0.508SS*.  trans-136.7144.5178.5-62.1-179.6-171.3-89.16.5110.1T379T379-R381 PolarHBondContact O-N 2.97Å
382I54.2Low57.1Low107 Ų107103.2 Ų103.255%0.54953%0.533SS..  trans-82.1132.2168.7-60.4177.9000108L432 V447I382-L432 HydrophobicContact CD1-CD1 4.38Å; I382-L432 HydrophobicContact CG1-CD1 3.76Å; I382-V447 HydrophobicContact CD1-CG2 3.62Å; I382-V447 HydrophobicContact CG1-CG1 4.36Å; I382-V447 HydrophobicContact CG1-CG2 3.78Å
383P45Very low54.8Low47 Ų47112.6 Ų112.631%0.30557%0.573SS.*  trans-60.7139.4172.4-22.434000111.8N385 T425 M429P383-N385 PolarHBondContact O-N 2.81Å; P383-T425 HydrophobicContact CG-CG2 4.26Å; P383-M429 HydrophobicContact CG-SD 4.35Å
384K44.5Very low52.9Low212 Ų212114.4 Ų114.492%0.92258%0.582SS**SBendtrans-71.41.7-174.6-76.3-168173.4-172.40116
385N36.5Very low51Low148 Ų148114.5 Ų114.579%0.79159%0.593SS**  trans-116.296.7179-74.17000110.6P383P383-N385 PolarHBondContact O-N 2.81Å
386H39.1Very low49.2Very low159 Ų159121.1 Ų121.174%0.73663%0.628SS**  trans-144.9100.4155.9-136.6-64.4000108.6
387F32.8Very low47.5Very low192 Ų192124.8 Ų124.884%0.84264%0.643SS**  trans-76.2162.2163.9-110.3-99.5000109.2
388D29Very low45.2Very low144 Ų144128.2 Ų128.277%0.7766%0.659SS**  trans-65.4146-169.9-53-88.5000113.7
389F33.4Very low43.1Very low187 Ų187133.8 Ų133.882%0.8270%0.696SS**  trans-137.8115.1157.9-125.4-93.8000111.9
390T27.4Very low40.9Very low119 Ų119139.1 Ų139.173%0.7372%0.724SS**  trans57.599.1158.952.40000119.5
391S30.4Very low39Very low131 Ų131146.8 Ų146.892%0.91677%0.765SS**  trans-15872.7130.6177.60000111.6
392S35.6Very low37.6Very low119 Ų119146.6 Ų146.683%0.83278%0.775SS**  trans-124.8136.6168.841.50000110
393K35.3Very low37Very low199 Ų199149 Ų14987%0.86579%0.789SS**  trans-113.5161.1177.5-86.2-173.2173.1-176.10110.3
394S38.2Very low36.8Very low113 Ų113156 Ų15679%0.7982%0.815SS**  trans72.1147.4156.139.60000120.5
395S41.1Very low36.4Very low98 Ų98152.8 Ų152.869%0.68581%0.806SS**  trans69.791.1158.952.60000120.8
396D39.7Very low36.4Very low140 Ų140154.3 Ų154.375%0.74981%0.806SS**  83.7131.7111.6-62.1-0.1000123.7
397K41.2Very low36.2Very low176 Ų176152.6 Ų152.677%0.76581%0.812SS**  trans75.791.1148.8-70.1167.3-175.9173.90120.2
398E36.5Very low36.4Very low173 Ų173149.1 Ų149.181%0.80881%0.806SS**  38.2117116.5-59.1176.5139.300119.5
399T37.7Very low36.6Very low147 Ų147152.3 Ų152.390%0.90281%0.813SS**  -172.8160.3100.922.80000111.7
400N34.5Very low36.7Very low155 Ų155154.4 Ų154.483%0.82982%0.815SS**  trans-84150.9-172-63.9-39.1000113.7
401N37.4Very low36.8Very low161 Ų161158.5 Ų158.586%0.86182%0.823SS**  trans-160120.1136.5-119.5-34.3000112.4
402D39.4Very low37Very low152 Ų152160.9 Ų160.981%0.81382%0.824SS**  trans-82136.1173.9-85.8-61.4000111.5
403N43.1Very low36.8Very low156 Ų156160 Ų16083%0.83482%0.818SS**  trans-150.579.8161.5-103.3-55.2000114.4
404K39.8Very low36.6Very low196 Ų196157 Ų15785%0.85282%0.817SS**  trans-24.3121.3153170.3-170.8-178.5178.20115.5
405I36.6Very low36.4Very low144 Ų144157.3 Ų157.374%0.73882%0.819SS**  trans-157.3121.2148.2-110.6152000115.4
406K36.6Very low36Very low179 Ų179157.8 Ų157.878%0.77882%0.822SS**  trans47.7114.5146.7-57.4171.7-175.5173.90120.9
407S34.5Very low35.6Very low124 Ų124159 Ų15987%0.86783%0.829SS**  trans-65.4147.1161.6-41.70000113.2
408V37.1Very low35.3Very low118 Ų118157.2 Ų157.272%0.71583%0.827SS**  trans-126.3108166.21780000109.8R410V408-R410 HydrophobicContact CG1-CG 4.26Å
409K33.5Very low35.1Very low211 Ų211158.6 Ų158.692%0.91783%0.831SS**  trans-81.3115.3166.7-78.9-178177.3175.10109.2
410R34.6Very low35Very low231 Ų231156.1 Ų156.187%0.87282%0.819SS**  trans-111.9122.2159.5-80.6-179.7172.5156.7-1.7109V408V408-R410 HydrophobicContact CG1-CG 4.26Å
411K30.8Very low34.9Very low205 Ų205156.1 Ų156.189%0.89181%0.814SS**  trans-77139.6164.4-66.1177.7177.8178.50107.9
412L34.7Very low34.8Very low181 Ų181157.7 Ų157.795%0.94881%0.808SS**  trans-142.4151.7152.1-143.773.8000108.6
413S31.4Very low34.9Very low101 Ų101154.1 Ų154.171%0.70680%0.795SS**  trans-127152.2-160.949.70000112.6
414T29.7Very low34.9Very low135 Ų135149.8 Ų149.883%0.82877%0.774SS**  trans6295.6155.2-46.40000117.3
415S35.5Very low34.8Very low120 Ų120143.2 Ų143.284%0.83975%0.751SS**  trans-164.1129.6134.331.10000110.8
416S31Very low35.1Very low108 Ų108142.6 Ų142.676%0.75575%0.748SS**  trans-99.8112.5-176.251.20000111
417N32.2Very low36Very low165 Ų165138.3 Ų138.388%0.88273%0.73SS**  trans-166.925.7164-100.5-23.3000115.7
418L34.2Very low36.9Very low139 Ų139132.7 Ų132.773%0.72869%0.69SS**  trans-97.317.6-170.3-71.4171.5000116.4
419F31.9Very low37.4Very low203 Ų203131.7 Ų131.789%0.8968%0.679SS**SBendtrans-103.10.7-167.4-85.7-79.2000117.2
420S37.2Very low39Very low94 Ų94123.1 Ų123.166%0.65765%0.65SS**SBendtrans-99.8-46.5179.6-164.90000113.7R422S420-R422 PolarHBondContact O-N 2.83Å
421E32.8Very low40.8Very low155 Ų155112.4 Ų112.472%0.72461%0.61SS**Hα-helixtrans-70.7-32.7-166.9-59.3-174135.400114.2S423 V424 T425E421-S423 VanDerWaalsContact C-N 3.27Å; E421-S423 PolarHBondContact O-N 2.97Å; E421-V424 PolarHBondContact O-N 3.03Å; E421-T425 PolarHBondContact O-N 3.17Å; E421-T425 PolarHBondContact O-OG1 2.87Å
422R34.8Very low42.7Very low194 Ų194105.2 Ų105.273%0.73258%0.582SS**Hα-helixtrans-59.2-34-177.3-85.2-178.2164.2178.7-5.2113.7S420 T425 L426S420-R422 PolarHBondContact O-N 2.83Å; R422-T425 WeakPolarHBondContact CA-OG1 3.43Å; R422-T425 PolarHBondContact O-OG1 3.5Å; R422-L426 WeakPolarHBondContact O-CG 3.49Å; R422-L426 PolarHBondContact O-N 2.76Å
423S40.1Very low44.2Very low78 Ų7899.3 Ų99.355%0.54556%0.555SS.*Hα-helixtrans-68.7-41.7179.8-57.40000111.8E421 F427E421-S423 VanDerWaalsContact C-N 3.27Å; E421-S423 PolarHBondContact O-N 2.97Å; S423-F427 PolarHBondContact O-N 3.03Å
424V43.3Very low45.1Very low65 Ų65100.9 Ų100.939%0.39456%0.563SS.*Hα-helixtrans-70.5-35.3-178.8-1740000111.5E421 S428E421-V424 PolarHBondContact O-N 3.03Å; V424-S428 WeakPolarHBondContact O-CB 3.34Å; V424-S428 PolarHBondContact O-N 3.28Å; V424-S428 PolarHBondContact O-OG 3.41Å
425T39.1Very low46.5Very low58 Ų5896.9 Ų96.936%0.35655%0.549SS..Hα-helixtrans-65.6-42.7176.745.80000112.7P383 E421 R422 S428 M429P383-T425 HydrophobicContact CG-CG2 4.26Å; E421-T425 PolarHBondContact O-N 3.17Å; E421-T425 PolarHBondContact O-OG1 2.87Å; R422-T425 WeakPolarHBondContact CA-OG1 3.43Å; R422-T425 PolarHBondContact O-OG1 3.5Å; T425-S428 PolarHBondContact O-N 3.17Å; T425-M429 PolarHBondContact O-N 2.92Å
426L42.2Very low48.3Very low130 Ų13098 Ų9868%0.68154%0.535SS*.Hα-helixtrans-67.4-43.7178.3-69.1172.4000111.5R422 S428 M429 G430R422-L426 WeakPolarHBondContact O-CG 3.49Å; R422-L426 PolarHBondContact O-N 2.76Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.1Å; L426-M429 PolarHBondContact O-N 3.07Å; L426-G430 PolarHBondContact O-N 3.45Å
427F55.1Low50.7Low90 Ų9095.6 Ų95.640%0.39551%0.511SS..Hα-helixtrans-59.9-39.5175.7-116.3-93.6000112.6W378 S423 G430 L431 L453W378-F427 HydrophobicContact CH2-CD1 4.48Å; W378-F427 HydrophobicContact CZ2-CD1 4.25Å; S423-F427 PolarHBondContact O-N 3.03Å; F427-G430 PolarHBondContact O-N 2.83Å; F427-L431 WeakPolarHBondContact O-CG 3.45Å; F427-L431 PolarHBondContact O-N 2.95Å; F427-L431 VanDerWaalsContact O-N 3.12Å; F427-L453 HydrophobicContact CE1-CD1 3.96Å; F427-L453 HydrophobicContact CZ-CD1 4.35Å
428S53.4Low53.1Low6 Ų687.8 Ų87.84%0.04247%0.469CS..Hα-helixtrans-68.5-37.1-178.1-60.10000112.7V424 T425 L426 L432V424-S428 WeakPolarHBondContact O-CB 3.34Å; V424-S428 PolarHBondContact O-N 3.28Å; V424-S428 PolarHBondContact O-OG 3.41Å; T425-S428 PolarHBondContact O-N 3.17Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.1Å; S428-L432 WeakPolarHBondContact O-CG 3.2Å
429M47.1Very low55.3Low96 Ų9682.3 Ų82.347%0.47344%0.441SS..Hα-helixtrans-68.9-43172.6-67.1-179.171.200111.4P383 T425 L426 L431 L432 S433P383-M429 HydrophobicContact CG-SD 4.35Å; T425-M429 PolarHBondContact O-N 2.92Å; L426-M429 PolarHBondContact O-N 3.07Å; M429-L431 PolarHBondContact O-N 3.33Å; M429-L432 PolarHBondContact O-N 2.92Å; M429-S433 PolarHBondContact O-N 2.97Å
430G67.5Low57.6Low31 Ų3174.8 Ų74.832%0.3241%0.41SS..Hα-helixtrans-64.5-20.9179.400000115.3L426 F427 R436L426-G430 PolarHBondContact O-N 3.45Å; F427-G430 PolarHBondContact O-N 2.83Å; G430-R436 WeakPolarHBondContact O-CG 3.28Å
431L73.6Confident59.7Low6 Ų671.7 Ų71.73%0.03139%0.388CS..Hα-helixtrans-83.2-23.1172.5-72.8171.5000113.7W378 I380 F427 M429 R436 F445 V451 T461W378-L431 HydrophobicContact CH2-CD1 4.31Å; W378-L431 HydrophobicContact CZ2-CD1 3.62Å; I380-L431 HydrophobicContact CD1-CB 4.01Å; I380-L431 HydrophobicContact CD1-CD1 3.94Å; I380-L431 HydrophobicContact CG1-CD1 4.27Å; F427-L431 WeakPolarHBondContact O-CG 3.45Å; F427-L431 PolarHBondContact O-N 2.95Å; F427-L431 VanDerWaalsContact O-N 3.12Å; M429-L431 PolarHBondContact O-N 3.33Å; L431-R436 VanDerWaalsContact O-CB 3.24Å; L431-R436 WeakPolarHBondContact O-CB 3.08Å; L431-F445 HydrophobicContact CB-CB 4.5Å; L431-F445 HydrophobicContact CB-CD2 4.38Å; L431-F445 HydrophobicContact CD2-CD2 3.96Å; L431-F445 HydrophobicContact CD2-CE2 3.83Å; L431-F445 HydrophobicContact CD2-CZ 4.39Å; L431-V451 HydrophobicContact CD1-CG2 4.42Å; L431-T461 HydrophobicContact CD1-CG2 3.96Å; L431-T461 HydrophobicContact CD2-CG2 3.86Å
432L69.5Low62Low55 Ų5565.2 Ų65.229%0.28836%0.358SS..Hα-helixtrans-86.9-6178.3-66.8172000113I380 I382 S428 M429 V447I380-L432 HydrophobicContact CG2-CD1 3.9Å; I380-L432 HydrophobicContact CG2-CD2 3.86Å; I380-L432 HydrophobicContact CG2-CG 3.81Å; I382-L432 HydrophobicContact CD1-CD1 4.38Å; I382-L432 HydrophobicContact CG1-CD1 3.76Å; S428-L432 WeakPolarHBondContact O-CG 3.2Å; M429-L432 PolarHBondContact O-N 2.92Å; L432-V447 HydrophobicContact CD1-CG2 4.12Å; L432-V447 HydrophobicContact CD2-CG2 4.23Å
433S65.9Low63.7Low56 Ų5658.2 Ų58.239%0.39233%0.334SS..SBendtrans-60.8142.6175.6-57.60000112.1M429 G435 R436M429-S433 PolarHBondContact O-N 2.97Å; S433-G435 PolarHBondContact O-N 3.3Å; S433-R436 WeakPolarHBondContact O-CB 3.35Å; S433-R436 PolarHBondContact O-N 2.8Å; S433-R436 VanDerWaalsContact O-N 3.14Å
434P50.4Low65.5Low134 Ų13460.3 Ų60.387%0.8733%0.334SS*.THydrogen-bonded Turntrans-49.4139.3174.8-28.735.8000113R436P434-R436 VanDerWaalsContact C-N 3.33Å; P434-R436 PolarHBondContact O-N 2.89Å
435G60.8Low67.3Low51 Ų5158 Ų5853%0.52632%0.318SS..THydrogen-bonded Turntrans87.7-19.7-176.800000115.4S433 Q437S433-G435 PolarHBondContact O-N 3.3Å; G435-Q437 PolarHBondContact O-N 2.67Å
436R71.7Confident69.2Low145 Ų14561 Ų6155%0.54733%0.327SS..  trans-76.1118.8178.8-69-86.6179.1168.7-2.2111.4G430 L431 S433 P434 F444 F445G430-R436 WeakPolarHBondContact O-CG 3.28Å; L431-R436 VanDerWaalsContact O-CB 3.24Å; L431-R436 WeakPolarHBondContact O-CB 3.08Å; S433-R436 WeakPolarHBondContact O-CB 3.35Å; S433-R436 PolarHBondContact O-N 2.8Å; S433-R436 VanDerWaalsContact O-N 3.14Å; P434-R436 VanDerWaalsContact C-N 3.33Å; P434-R436 PolarHBondContact O-N 2.89Å; R436-F444 WeakPolarHBondContact O-CA 3.37Å; R436-F445 HydrophobicContact CB-CD2 4.29Å; R436-F445 PolarHBondContact O-N 3.19Å
437Q81.7Confident70.8Confident57 Ų5757.8 Ų57.827%0.26631%0.312SS..BIsolated β-bridgetrans-145.1148.6-175.557.1-177.3-24.800111.4G435 L439 L442 M443 F444G435-Q437 PolarHBondContact O-N 2.67Å; Q437-L439 PolarHBondContact O-N 2.69Å; Q437-L442 HydrophobicContact CG-CD2 4.13Å; Q437-L442 PolarHBondContact OE1-O 3.11Å; Q437-M443 VanDerWaalsContact CA-O 3.29Å; Q437-M443 WeakPolarHBondContact CA-O 3.46Å; Q437-M443 WeakPolarHBondContact CB-O 3.32Å; Q437-F444 HydrophobicContact CB-CD1 4.33Å
438C82.3Confident72Confident0 Ų058.6 Ų58.60%032%0.32CS..  trans-68.8119.1175.2164.80000109.8L440 C441 L442 M443 F445 H463C438-L440 PolarHBondContact O-N 2.99Å; C438-L440 VanDerWaalsContact O-N 3.08Å; C438-C441 VanDerWaalsContact CB-SG 3.51Å; C438-C441 PolarHBondContact O-N 3.07Å; C438-L442 VanDerWaalsContact O-CA 3.27Å; C438-L442 WeakPolarHBondContact O-CA 3.37Å; C438-L442 PolarHBondContact O-N 3.36Å; C438-M443 PolarHBondContact N-O 3.12Å; C438-F445 VanDerWaalsContact CA-CZ 3.5Å; C438-F445 HydrophobicContact CB-CD1 4.48Å; C438-F445 HydrophobicContact CB-CE1 3.67Å; C438-F445 HydrophobicContact CB-CZ 3.71Å; C438-H463 WeakPolarHBondContact CB-ND1 3.31Å; C438-H463 PolarHBondContact SG-N 2.91Å; C438-H463 PolarHBondContact SG-ND1 2.82Å
439L81.8Confident73.5Confident25 Ų2560 Ų6013%0.13133%0.327CS..THydrogen-bonded Turntrans-70.2-12.1-167.3-68.8170000115.1Q437 L442 F462 I480Q437-L439 PolarHBondContact O-N 2.69Å; L439-L442 HydrophobicContact CD2-CD2 3.75Å; L439-F462 HydrophobicContact CB-CE1 4.1Å; L439-I480 HydrophobicContact CB-CD1 4.09Å; L439-I480 HydrophobicContact CB-CG1 4.43Å; L439-I480 HydrophobicContact CD1-CD1 3.41Å; L439-I480 VanDerWaalsContact CD1-CD1 3.41Å; L439-I480 HydrophobicContact CD1-CG1 4.13Å; L439-I480 HydrophobicContact CG-CD1 4.36Å
440L79.1Confident75.3Confident44 Ų4460.5 Ų60.523%0.2333%0.327CS..THydrogen-bonded Turntrans-80.1-53171.4-71.1168.9000112.2R202 C438 F462 C466 I467 W470 P479R202-L440 PolarHBondContact NH1-O 2.95Å; C438-L440 PolarHBondContact O-N 2.99Å; C438-L440 VanDerWaalsContact O-N 3.08Å; L440-F462 HydrophobicContact CB-CD1 4.29Å; L440-F462 HydrophobicContact CD1-CD1 3.7Å; L440-F462 HydrophobicContact CD1-CE1 4.04Å; L440-F462 HydrophobicContact CD1-CG 4.29Å; L440-F462 HydrophobicContact CG-CD1 3.69Å; L440-F462 HydrophobicContact CG-CE1 3.77Å; L440-C466 HydrophobicContact CB-CB 4Å; L440-C466 HydrophobicContact CD1-CB 4.11Å; L440-C466 WeakPolarHBondContact CD1-O 3.37Å; L440-I467 HydrophobicContact CD1-CB 4Å; L440-I467 HydrophobicContact CD1-CD1 3.87Å; L440-W470 HydrophobicContact CD2-CE3 4.4Å; L440-P479 HydrophobicContact CD1-CG 4.19Å; L440-P479 HydrophobicContact CD2-CB 3.93Å; L440-P479 HydrophobicContact CD2-CG 3.91Å; L440-P479 HydrophobicContact CG-CG 4.31Å
441C82.3Confident76.4Confident29 Ų2959 Ų5920%0.19631%0.312CS..THydrogen-bonded Turntrans-90.2-15.3-177.768.60000114.1R202 C438 M443 H463R202-C441 WeakPolarHBondContact CD-O 3.35Å; R202-C441 PolarHBondContact NH1-O 2.75Å; C438-C441 VanDerWaalsContact CB-SG 3.51Å; C438-C441 PolarHBondContact O-N 3.07Å; C441-M443 PolarHBondContact O-N 3.16Å; C441-M443 PolarHBondContact SG-N 3.41Å; C441-M443 VanDerWaalsContact SG-N 3.42Å; C441-H463 PolarHBondContact SG-ND1 3.02Å
442L80.5Confident77.1Confident19 Ų1959.2 Ų59.210%0.09931%0.312CS..  trans43.638.3-168.4-57.6-174.6000113.5Q32 Q437 C438 L439Q32-L442 HydrophobicContact CB-CD1 4.25Å; Q32-L442 HydrophobicContact CG-CD1 4.21Å; Q437-L442 HydrophobicContact CG-CD2 4.13Å; Q437-L442 PolarHBondContact OE1-O 3.11Å; C438-L442 VanDerWaalsContact O-CA 3.27Å; C438-L442 WeakPolarHBondContact O-CA 3.37Å; C438-L442 PolarHBondContact O-N 3.36Å; L439-L442 HydrophobicContact CD2-CD2 3.75Å
443M70.1Confident77.9Confident48 Ų4857.6 Ų57.624%0.23630%0.303CS..PPolyproline II helixtrans-93.6136.4161.6-70.8-69102.400108.7C201 R202 Q437 C438 C441C201-M443 WeakPolarHBondContact O-CE 3.44Å; R202-M443 HydrophobicContact CB-CE 4Å; Q437-M443 VanDerWaalsContact CA-O 3.29Å; Q437-M443 WeakPolarHBondContact CA-O 3.46Å; Q437-M443 WeakPolarHBondContact CB-O 3.32Å; C438-M443 PolarHBondContact N-O 3.12Å; C441-M443 PolarHBondContact O-N 3.16Å; C441-M443 PolarHBondContact SG-N 3.41Å; C441-M443 VanDerWaalsContact SG-N 3.42Å
444F79.1Confident78.8Confident122 Ų12254.9 Ų54.954%0.53529%0.285SS..BIsolated β-bridgetrans-54.4141.8166.4-61.2-74000110R436 Q437R436-F444 WeakPolarHBondContact O-CA 3.37Å; Q437-F444 HydrophobicContact CB-CD1 4.33Å
445F79.4Confident79.9Confident15 Ų1550.7 Ų50.77%0.06626%0.259CS..PPolyproline II helixtrans-68.9140.1173.3-64.7-73.1000110.3I380 L431 R436 C438 V451 T461 H463I380-F445 HydrophobicContact CD1-CB 3.69Å; I380-F445 HydrophobicContact CD1-CD1 4.03Å; I380-F445 HydrophobicContact CD1-CG 4.08Å; L431-F445 HydrophobicContact CB-CB 4.5Å; L431-F445 HydrophobicContact CB-CD2 4.38Å; L431-F445 HydrophobicContact CD2-CD2 3.96Å; L431-F445 HydrophobicContact CD2-CE2 3.83Å; L431-F445 HydrophobicContact CD2-CZ 4.39Å; R436-F445 HydrophobicContact CB-CD2 4.29Å; R436-F445 PolarHBondContact O-N 3.19Å; C438-F445 VanDerWaalsContact CA-CZ 3.5Å; C438-F445 HydrophobicContact CB-CD1 4.48Å; C438-F445 HydrophobicContact CB-CE1 3.67Å; C438-F445 HydrophobicContact CB-CZ 3.71Å; F445-V451 HydrophobicContact CD1-CG1 3.63Å; F445-V451 HydrophobicContact CE1-CG1 3.58Å; F445-T461 HydrophobicContact CE1-CG2 4.34Å; F445-T461 HydrophobicContact CZ-CG2 4.02Å; F445-H463 AromaticContact CD1-NE2 3.74Å
446K79Confident80.2Confident123 Ų12350.8 Ų50.854%0.53525%0.25SC..  trans-121.2160.7-178.1-61175.9-174.1172.70110.5N448 D449K446-N448 PolarHBondContact O-N 3.16Å; K446-D449 PolarHBondContact N-OD2 3.21Å; K446-D449 WeakPolarHBondContact O-CB 3.48Å; K446-D449 PolarHBondContact O-N 3.46Å
447V77.4Confident80.1Confident61 Ų6145.7 Ų45.737%0.3724%0.243SC..THydrogen-bonded Turntrans-60.7137.7168.2-165.70000108.9I382 L432 D449I382-V447 HydrophobicContact CD1-CG2 3.62Å; I382-V447 HydrophobicContact CG1-CG1 4.36Å; I382-V447 HydrophobicContact CG1-CG2 3.78Å; L432-V447 HydrophobicContact CD1-CG2 4.12Å; L432-V447 HydrophobicContact CD2-CG2 4.23Å; V447-D449 VanDerWaalsContact C-N 3.31Å
448N78.4Confident80.1Confident107 Ų10744.6 Ų44.657%0.57224%0.241SC*.THydrogen-bonded Turntrans72.74.8-173.4-48-58.6000116.5T379 I380 K446T379-N448 HydrophobicContact CG2-CB 4.48Å; I380-N448 WeakPolarHBondContact O-CA 3.42Å; I380-N448 PolarHBondContact O-N 2.81Å; K446-N448 PolarHBondContact O-N 3.16Å
449D85.4Confident80.2Confident35 Ų3550.4 Ų50.419%0.18727%0.268CS..  trans-65.8134.6169.1-81.9-16.8000111.4T379 I380 K446 V447 V451 H463T379-D449 WeakPolarHBondContact CA-O 3.42Å; I380-D449 HydrophobicContact CD1-CB 4.35Å; I380-D449 PolarHBondContact N-O 2.93Å; K446-D449 PolarHBondContact N-OD2 3.21Å; K446-D449 WeakPolarHBondContact O-CB 3.48Å; K446-D449 PolarHBondContact O-N 3.46Å; V447-D449 VanDerWaalsContact C-N 3.31Å; D449-V451 HydrophobicContact CB-CG1 4.39Å; D449-H463 VanDerWaalsContact CG-NE2 3.26Å; D449-H463 IonicContact OD1-NE2 3.78Å; D449-H463 IonicContact OD2-CD2 3.96Å; D449-H463 IonicContact OD2-CE1 3.63Å; D449-H463 IonicContact OD2-NE2 2.74Å; D449-H463 PolarHBondContact OD2-NE2 3Å
450K85.5Confident80.2Confident107 Ų10752 Ų5247%0.46527%0.274SS..EExtended strand (participates in β ladder)trans-81.5124.5166.9-66.2-174.9-175.4175.50109.9W378 H463 S464W378-K450 WeakPolarHBondContact O-CA 3.44Å; K450-H463 VanDerWaalsContact O-CA 3.31Å; K450-H463 WeakPolarHBondContact O-CA 3.48Å; K450-S464 PolarHBondContact O-N 2.96Å
451V89.6Confident80.6Confident0 Ų050.9 Ų50.90%027%0.27CS..EExtended strand (participates in β ladder)trans-131.1154.5-177.3-64.40000112.3Q377 W378 I380 L431 F445 D449 T461 F462 S464Q377-V451 CarbonylContact C-O 3.53Å; Q377-V451 WeakPolarHBondContact CA-O 3.16Å; W378-V451 HydrophobicContact CD2-CG2 3.69Å; W378-V451 HydrophobicContact CE3-CG2 3.89Å; W378-V451 HydrophobicContact CG-CG2 4.35Å; W378-V451 HydrophobicContact CH2-CG2 3.83Å; W378-V451 HydrophobicContact CZ2-CG2 3.66Å; W378-V451 HydrophobicContact CZ3-CG2 3.93Å; W378-V451 PolarHBondContact N-O 3.39Å; W378-V451 PolarHBondContact O-N 2.87Å; I380-V451 HydrophobicContact CD1-CG1 3.84Å; I380-V451 HydrophobicContact CD1-CG2 4.24Å; I380-V451 HydrophobicContact CG1-CG1 4.24Å; I380-V451 HydrophobicContact CG1-CG2 3.87Å; L431-V451 HydrophobicContact CD1-CG2 4.42Å; F445-V451 HydrophobicContact CD1-CG1 3.63Å; F445-V451 HydrophobicContact CE1-CG1 3.58Å; D449-V451 HydrophobicContact CB-CG1 4.39Å; V451-T461 HydrophobicContact CB-CG2 4.1Å; V451-T461 HydrophobicContact CG2-CG2 4.43Å; V451-F462 CarbonylContact C-O 3.58Å; V451-F462 WeakPolarHBondContact CA-O 3.48Å; V451-F462 VanDerWaalsContact CB-O 3.29Å; V451-F462 WeakPolarHBondContact CB-O 3.26Å; V451-S464 PolarHBondContact N-OG 3.35Å
452R88.6Confident81Confident10 Ų1049.5 Ų49.54%0.03826%0.26CS..EExtended strand (participates in β ladder)trans-118.4144.9170.2-82.2-172.4-156.3-102.613.8111.6L372 I375 H376 Q377 T461 F462 I467 D468L372-R452 PolarHBondContact O-NH1 2.89Å; I375-R452 PolarHBondContact O-NH1 2.61Å; H376-R452 VanDerWaalsContact O-CA 3.31Å; H376-R452 WeakPolarHBondContact O-CA 3.33Å; Q377-R452 HydrophobicContact CB-CG 3.62Å; R452-T461 VanDerWaalsContact O-CA 3.31Å; R452-T461 WeakPolarHBondContact O-CA 3.07Å; R452-F462 PolarHBondContact N-O 2.81Å; R452-F462 PolarHBondContact O-N 3.39Å; R452-I467 HydrophobicContact CB-CG2 4.04Å; R452-D468 VanDerWaalsContact CD-OD1 3.25Å; R452-D468 WeakPolarHBondContact CD-OD1 3.18Å; R452-D468 IonicContact CZ-OD1 2.77Å; R452-D468 IonicContact CZ-OD2 3.95Å; R452-D468 VanDerWaalsContact NE-CG 3.35Å; R452-D468 IonicContact NE-OD1 3.83Å; R452-D468 PolarHBondContact NE-OD1 3.26Å; R452-D468 IonicContact NE-OD2 2.73Å; R452-D468 PolarHBondContact NE-OD2 3.01Å; R452-D468 IonicContact NH2-OD1 3.61Å; R452-D468 IonicContact NH2-OD2 2.71Å; R452-D468 PolarHBondContact NH2-OD2 2.92Å
453L87.5Confident81.2Confident21 Ų2149.5 Ų49.511%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-106.1124.5170.5-176.172.1000107.9H376 W378 F427 S455 Q459 T461H376-L453 PolarHBondContact O-N 3.44Å; H376-L453 VanDerWaalsContact O-N 3.09Å; W378-L453 HydrophobicContact CH2-CB 3.94Å; W378-L453 HydrophobicContact CZ3-CB 3.63Å; F427-L453 HydrophobicContact CE1-CD1 3.96Å; F427-L453 HydrophobicContact CZ-CD1 4.35Å; L453-S455 VanDerWaalsContact C-N 3.3Å; L453-S455 PolarHBondContact O-N 3.43Å; L453-Q459 HydrophobicContact CD1-CB 4.14Å; L453-Q459 WeakPolarHBondContact CD1-O 3.34Å; L453-T461 VanDerWaalsContact CD1-OG1 3.31Å; L453-T461 WeakPolarHBondContact CD1-OG1 3.31Å
454L84.2Confident82.1Confident0 Ų047.3 Ų47.30%025%0.249CC..  trans-80.380.4178.4-62.3-168.5000110.9I375 C458 Q459 H460 F462 I467 L471 C478 I485I375-L454 HydrophobicContact CG2-CD2 4.08Å; L454-C458 PolarHBondContact O-N 3.03Å; L454-Q459 WeakPolarHBondContact O-CA 3.33Å; L454-Q459 PolarHBondContact O-N 3.3Å; L454-H460 PolarHBondContact N-O 2.97Å; L454-F462 HydrophobicContact CD1-CD2 4.11Å; L454-F462 HydrophobicContact CD1-CE2 3.56Å; L454-F462 HydrophobicContact CG-CD2 4.21Å; L454-F462 HydrophobicContact CG-CE2 4.08Å; L454-I467 HydrophobicContact CD1-CD1 4.21Å; L454-I467 HydrophobicContact CD1-CG1 4.37Å; L454-I467 HydrophobicContact CD2-CG1 4.16Å; L454-L471 HydrophobicContact CD2-CD1 4.1Å; L454-C478 HydrophobicContact CD1-CB 3.9Å; L454-I485 HydrophobicContact CB-CD1 3.8Å; L454-I485 HydrophobicContact CB-CG1 4.3Å; L454-I485 HydrophobicContact CD1-CD1 4.15Å; L454-I485 HydrophobicContact CD1-CG1 4.09Å; L454-I485 HydrophobicContact CD2-CG1 4.4Å; L454-I485 HydrophobicContact CG-CD1 4.46Å; L454-I485 HydrophobicContact CG-CG1 4.5Å
455S74Confident82.5Confident46 Ų4647.9 Ų47.932%0.32225%0.253SS..THydrogen-bonded Turntrans-128.5145.9179.8-172.30000110.6L453L453-S455 VanDerWaalsContact C-N 3.3Å; L453-S455 PolarHBondContact O-N 3.43Å
456P66.1Low82.8Confident52 Ų5249.1 Ų49.134%0.33826%0.263SS..THydrogen-bonded Turncis-71.1137.5-8.731-36.4000111.2E488P456-E488 HydrophobicContact CG-CG 3.71Å; P456-E488 WeakPolarHBondContact CG-OE1 3.42Å
457G70.8Confident83.3Confident39 Ų3943.3 Ų43.340%0.40224%0.238SC..THydrogen-bonded Turntrans148.9-139.7-171.400000111.5Q459G457-Q459 VanDerWaalsContact C-N 3.3Å; G457-Q459 PolarHBondContact O-N 3.44Å
458C82Confident83.8Confident33 Ų3341.7 Ų41.722%0.22323%0.228CC..THydrogen-bonded Turntrans-74.4-6.9-171.159.40000116.2L454 H460 C478 D481L454-C458 PolarHBondContact O-N 3.03Å; C458-H460 PolarHBondContact O-N 3.44Å; C458-C478 VanDerWaalsContact SG-CB 3.56Å; C458-C478 PolarHBondContact SG-SG 3.39Å; C458-D481 WeakPolarHBondContact CB-OD2 3.43Å; C458-D481 PolarHBondContact SG-OD2 3.06Å
459Q82.8Confident84.1Confident122 Ų12239.7 Ų39.757%0.5722%0.22SC*.  trans57.218-179.2-55.2178.847.600114.5L453 L454 G457L453-Q459 HydrophobicContact CD1-CB 4.14Å; L453-Q459 WeakPolarHBondContact CD1-O 3.34Å; L454-Q459 WeakPolarHBondContact O-CA 3.33Å; L454-Q459 PolarHBondContact O-N 3.3Å; G457-Q459 VanDerWaalsContact C-N 3.3Å; G457-Q459 PolarHBondContact O-N 3.44Å
460H83.3Confident84.2Confident58 Ų5840.1 Ų40.127%0.26922%0.219SC..  trans-67.2136.5173.4-80.1121.1000111L454 C458 F462 I480 D481L454-H460 PolarHBondContact N-O 2.97Å; C458-H460 PolarHBondContact O-N 3.44Å; H460-F462 HydrophobicContact CB-CE2 3.74Å; H460-F462 HydrophobicContact CB-CZ 4.18Å; H460-I480 HydrophobicContact CB-CD1 3.83Å; H460-I480 VanDerWaalsContact CD2-CD1 3.43Å; H460-I480 WeakPolarHBondContact CD2-CD1 3.44Å; H460-I480 VanDerWaalsContact CG-CD1 3.44Å; H460-D481 IonicContact CE1-OD2 3.24Å; H460-D481 PolarHBondContact CE1-OD2 2.8Å; H460-D481 IonicContact CG-OD2 3.53Å; H460-D481 IonicContact ND1-OD2 2.69Å; H460-D481 PolarHBondContact ND1-OD2 2.91Å
461T86.8Confident84.3Confident21 Ų2135 Ų3513%0.12920%0.197CC..EExtended strand (participates in β ladder)trans-108.2136-177.2-57.10000111.5W378 L431 F445 V451 R452 L453W378-T461 HydrophobicContact CH2-CG2 4.12Å; L431-T461 HydrophobicContact CD1-CG2 3.96Å; L431-T461 HydrophobicContact CD2-CG2 3.86Å; F445-T461 HydrophobicContact CE1-CG2 4.34Å; F445-T461 HydrophobicContact CZ-CG2 4.02Å; V451-T461 HydrophobicContact CB-CG2 4.1Å; V451-T461 HydrophobicContact CG2-CG2 4.43Å; R452-T461 VanDerWaalsContact O-CA 3.31Å; R452-T461 WeakPolarHBondContact O-CA 3.07Å; L453-T461 VanDerWaalsContact CD1-OG1 3.31Å; L453-T461 WeakPolarHBondContact CD1-OG1 3.31Å
462F89.5Confident84Confident0 Ų036.8 Ų36.80%021%0.206CC..EExtended strand (participates in β ladder)trans-140.4161178.9-56.2-92.5000110.4L439 L440 V451 R452 L454 H460 S464 I467 P479 I480L439-F462 HydrophobicContact CB-CE1 4.1Å; L440-F462 HydrophobicContact CB-CD1 4.29Å; L440-F462 HydrophobicContact CD1-CD1 3.7Å; L440-F462 HydrophobicContact CD1-CE1 4.04Å; L440-F462 HydrophobicContact CD1-CG 4.29Å; L440-F462 HydrophobicContact CG-CD1 3.69Å; L440-F462 HydrophobicContact CG-CE1 3.77Å; V451-F462 CarbonylContact C-O 3.58Å; V451-F462 WeakPolarHBondContact CA-O 3.48Å; V451-F462 VanDerWaalsContact CB-O 3.29Å; V451-F462 WeakPolarHBondContact CB-O 3.26Å; R452-F462 PolarHBondContact N-O 2.81Å; R452-F462 PolarHBondContact O-N 3.39Å; L454-F462 HydrophobicContact CD1-CD2 4.11Å; L454-F462 HydrophobicContact CD1-CE2 3.56Å; L454-F462 HydrophobicContact CG-CD2 4.21Å; L454-F462 HydrophobicContact CG-CE2 4.08Å; H460-F462 HydrophobicContact CB-CE2 3.74Å; H460-F462 HydrophobicContact CB-CZ 4.18Å; F462-S464 PolarHBondContact O-N 2.91Å; F462-I467 HydrophobicContact CB-CB 3.77Å; F462-I467 HydrophobicContact CB-CG1 4.49Å; F462-I467 HydrophobicContact CB-CG2 3.95Å; F462-I467 HydrophobicContact CD2-CB 4.22Å; F462-I467 HydrophobicContact CD2-CD1 4.06Å; F462-I467 HydrophobicContact CD2-CG1 4.01Å; F462-I467 HydrophobicContact CE2-CD1 4.11Å; F462-I467 HydrophobicContact CE2-CG1 4.5Å; F462-I467 HydrophobicContact CG-CB 4.05Å; F462-I467 HydrophobicContact CG-CD1 4.37Å; F462-I467 HydrophobicContact CG-CG1 4.32Å; F462-I467 HydrophobicContact CZ-CD1 4.44Å; F462-P479 HydrophobicContact CE1-CG 4.31Å; F462-P479 HydrophobicContact CZ-CB 4.48Å; F462-P479 HydrophobicContact CZ-CG 4.05Å; F462-I480 HydrophobicContact CE1-CD1 3.86Å; F462-I480 HydrophobicContact CE1-CG1 4.36Å; F462-I480 HydrophobicContact CE2-CD1 4.29Å; F462-I480 HydrophobicContact CZ-CD1 3.38Å; F462-I480 HydrophobicContact CZ-CG1 3.96Å
463H86.7Confident83.6Confident20 Ų2043.3 Ų43.39%0.09324%0.237CC..EExtended strand (participates in β ladder)trans-60.6134.3161.1-63.9109.9000110.1C438 C441 F445 D449 K450 H465 C466 I467C438-H463 WeakPolarHBondContact CB-ND1 3.31Å; C438-H463 PolarHBondContact SG-N 2.91Å; C438-H463 PolarHBondContact SG-ND1 2.82Å; C441-H463 PolarHBondContact SG-ND1 3.02Å; F445-H463 AromaticContact CD1-NE2 3.74Å; D449-H463 VanDerWaalsContact CG-NE2 3.26Å; D449-H463 IonicContact OD1-NE2 3.78Å; D449-H463 IonicContact OD2-CD2 3.96Å; D449-H463 IonicContact OD2-CE1 3.63Å; D449-H463 IonicContact OD2-NE2 2.74Å; D449-H463 PolarHBondContact OD2-NE2 3Å; K450-H463 VanDerWaalsContact O-CA 3.31Å; K450-H463 WeakPolarHBondContact O-CA 3.48Å; H463-H465 VanDerWaalsContact C-N 3.32Å; H463-H465 PolarHBondContact O-N 2.96Å; H463-C466 HydrophobicContact CB-CB 4.17Å; H463-C466 WeakPolarHBondContact O-CB 3.43Å; H463-C466 PolarHBondContact O-N 3.12Å; H463-I467 PolarHBondContact O-N 3.45Å; H463-I467 VanDerWaalsContact O-N 3.13Å
464S88.1Confident83.2Confident2 Ų248.4 Ų48.41%0.01426%0.258CS..Hα-helixtrans-54.8-49.9179.9-44.10000110.6K450 V451 F462 C466 I467 D468K450-S464 PolarHBondContact O-N 2.96Å; V451-S464 PolarHBondContact N-OG 3.35Å; F462-S464 PolarHBondContact O-N 2.91Å; S464-C466 PolarHBondContact O-N 3.06Å; S464-I467 PolarHBondContact O-N 3.38Å; S464-I467 VanDerWaalsContact O-N 3.16Å; S464-D468 VanDerWaalsContact O-CB 3.24Å; S464-D468 WeakPolarHBondContact O-CB 3.27Å; S464-D468 PolarHBondContact O-N 2.76Å
465H88.2Confident83.2Confident134 Ų13449.2 Ų49.262%0.6226%0.264SS*.Hα-helixtrans-59.9-12.7178.2-45.3115000114.8H463H463-H465 VanDerWaalsContact C-N 3.32Å; H463-H465 PolarHBondContact O-N 2.96Å
466C84.9Confident83.7Confident41 Ų4147.9 Ų47.928%0.27726%0.255SS..Hα-helixtrans-97.4-41.1174.8-62.10000113.1L440 H463 S464L440-C466 HydrophobicContact CB-CB 4Å; L440-C466 HydrophobicContact CD1-CB 4.11Å; L440-C466 WeakPolarHBondContact CD1-O 3.37Å; H463-C466 HydrophobicContact CB-CB 4.17Å; H463-C466 WeakPolarHBondContact O-CB 3.43Å; H463-C466 PolarHBondContact O-N 3.12Å; S464-C466 PolarHBondContact O-N 3.06Å
467I90.2Very high84.6Confident0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-85.2-30.8-177.2-171.561.9000112.9L440 R452 L454 F462 H463 S464 W470 L471 P479L440-I467 HydrophobicContact CD1-CB 4Å; L440-I467 HydrophobicContact CD1-CD1 3.87Å; R452-I467 HydrophobicContact CB-CG2 4.04Å; L454-I467 HydrophobicContact CD1-CD1 4.21Å; L454-I467 HydrophobicContact CD1-CG1 4.37Å; L454-I467 HydrophobicContact CD2-CG1 4.16Å; F462-I467 HydrophobicContact CB-CB 3.77Å; F462-I467 HydrophobicContact CB-CG1 4.49Å; F462-I467 HydrophobicContact CB-CG2 3.95Å; F462-I467 HydrophobicContact CD2-CB 4.22Å; F462-I467 HydrophobicContact CD2-CD1 4.06Å; F462-I467 HydrophobicContact CD2-CG1 4.01Å; F462-I467 HydrophobicContact CE2-CD1 4.11Å; F462-I467 HydrophobicContact CE2-CG1 4.5Å; F462-I467 HydrophobicContact CG-CB 4.05Å; F462-I467 HydrophobicContact CG-CD1 4.37Å; F462-I467 HydrophobicContact CG-CG1 4.32Å; F462-I467 HydrophobicContact CZ-CD1 4.44Å; H463-I467 PolarHBondContact O-N 3.45Å; H463-I467 VanDerWaalsContact O-N 3.13Å; S464-I467 PolarHBondContact O-N 3.38Å; S464-I467 VanDerWaalsContact O-N 3.16Å; I467-W470 HydrophobicContact CD1-CB 4.36Å; I467-W470 HydrophobicContact CD1-CG 4.47Å; I467-W470 WeakPolarHBondContact O-CB 3.44Å; I467-W470 PolarHBondContact O-N 2.8Å; I467-L471 HydrophobicContact CD1-CG 4.26Å; I467-L471 HydrophobicContact CG1-CD1 3.82Å; I467-L471 HydrophobicContact CG1-CG 4.05Å; I467-L471 PolarHBondContact O-N 3.02Å; I467-P479 HydrophobicContact CD1-CG 3.56Å
468D88.1Confident85.2Confident28 Ų2844.2 Ų44.215%0.1522%0.223CC..Hα-helixtrans-58.6-46-178.1-66.318.3000112.1L372 R452 S464 W470 L471 L472L372-D468 HydrophobicContact CD2-CB 3.68Å; R452-D468 VanDerWaalsContact CD-OD1 3.25Å; R452-D468 WeakPolarHBondContact CD-OD1 3.18Å; R452-D468 IonicContact CZ-OD1 2.77Å; R452-D468 IonicContact CZ-OD2 3.95Å; R452-D468 VanDerWaalsContact NE-CG 3.35Å; R452-D468 IonicContact NE-OD1 3.83Å; R452-D468 PolarHBondContact NE-OD1 3.26Å; R452-D468 IonicContact NE-OD2 2.73Å; R452-D468 PolarHBondContact NE-OD2 3.01Å; R452-D468 IonicContact NH2-OD1 3.61Å; R452-D468 IonicContact NH2-OD2 2.71Å; R452-D468 PolarHBondContact NH2-OD2 2.92Å; S464-D468 VanDerWaalsContact O-CB 3.24Å; S464-D468 WeakPolarHBondContact O-CB 3.27Å; S464-D468 PolarHBondContact O-N 2.76Å; D468-W470 VanDerWaalsContact C-N 3.28Å; D468-W470 PolarHBondContact O-N 2.85Å; D468-L471 PolarHBondContact O-N 3.21Å; D468-L472 WeakPolarHBondContact O-CB 3.43Å; D468-L472 VanDerWaalsContact O-CG 3.23Å; D468-L472 WeakPolarHBondContact O-CG 3.42Å; D468-L472 PolarHBondContact O-N 2.97Å
469P84.6Confident85.3Confident64 Ų6442.8 Ų42.842%0.41621%0.213SC..Hα-helixtrans-65.4-26.9175.5-21.334.5000114.1H473P469-H473 WeakPolarHBondContact O-CB 3.32Å; P469-H473 PolarHBondContact O-CD2 3.48Å; P469-H473 PolarHBondContact O-N 2.89Å
470W87.8Confident85Confident44 Ų4437.5 Ų37.517%0.16719%0.189CC..Hα-helixtrans-71.4-48.2175.3174.9-74.5000110.7L440 I467 D468 K474 S475 T477 P479L440-W470 HydrophobicContact CD2-CE3 4.4Å; I467-W470 HydrophobicContact CD1-CB 4.36Å; I467-W470 HydrophobicContact CD1-CG 4.47Å; I467-W470 WeakPolarHBondContact O-CB 3.44Å; I467-W470 PolarHBondContact O-N 2.8Å; D468-W470 VanDerWaalsContact C-N 3.28Å; D468-W470 PolarHBondContact O-N 2.85Å; W470-K474 HydrophobicContact CD2-CD 4.06Å; W470-K474 HydrophobicContact CE3-CD 3.77Å; W470-K474 HydrophobicContact CH2-CD 4.23Å; W470-K474 HydrophobicContact CZ2-CD 4.44Å; W470-K474 HydrophobicContact CZ3-CD 3.88Å; W470-K474 WeakPolarHBondContact O-CA 3.46Å; W470-K474 WeakPolarHBondContact O-CB 3.45Å; W470-K474 PolarHBondContact O-N 3.48Å; W470-S475 PolarHBondContact O-N 3.38Å; W470-T477 PolarHBondContact NE1-O 2.81Å; W470-P479 HydrophobicContact CD2-CB 4.28Å; W470-P479 HydrophobicContact CD2-CG 3.8Å; W470-P479 HydrophobicContact CE3-CB 4.4Å; W470-P479 HydrophobicContact CE3-CG 4.27Å; W470-P479 HydrophobicContact CG-CG 4.03Å; W470-P479 HydrophobicContact CH2-CB 4.01Å; W470-P479 HydrophobicContact CZ2-CB 3.92Å; W470-P479 HydrophobicContact CZ2-CG 4.15Å; W470-P479 HydrophobicContact CZ3-CB 4.25Å
471L87.3Confident84.9Confident0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-66-39.8-179-69.1174.1000112.1P366 L367 L372 I375 L454 I467 D468 S475 I485P366-L471 WeakPolarHBondContact CB-O 3.4Å; L367-L471 HydrophobicContact CD1-CB 4.32Å; L367-L471 HydrophobicContact CD1-CD2 4.24Å; L367-L471 PolarHBondContact N-O 3.15Å; L372-L471 HydrophobicContact CD1-CB 4.36Å; L372-L471 HydrophobicContact CD1-CD1 3.74Å; I375-L471 HydrophobicContact CD1-CD1 3.87Å; L454-L471 HydrophobicContact CD2-CD1 4.1Å; I467-L471 HydrophobicContact CD1-CG 4.26Å; I467-L471 HydrophobicContact CG1-CD1 3.82Å; I467-L471 HydrophobicContact CG1-CG 4.05Å; I467-L471 PolarHBondContact O-N 3.02Å; D468-L471 PolarHBondContact O-N 3.21Å; L471-S475 WeakPolarHBondContact CA-O 3.3Å; L471-I485 HydrophobicContact CD2-CG1 4.47Å
472L83.2Confident84.6Confident38 Ų3840.4 Ų40.420%0.19921%0.206CC..Hα-helixtrans-77-30.8-179-67.2169.9000114.7L369 L372 D468L369-L472 HydrophobicContact CB-CD2 4.21Å; L369-L472 HydrophobicContact CD1-CD1 4.18Å; L369-L472 HydrophobicContact CD1-CD2 4.03Å; L372-L472 HydrophobicContact CB-CD2 4.14Å; L372-L472 HydrophobicContact CD2-CD1 3.68Å; L372-L472 HydrophobicContact CD2-CD2 3.81Å; L372-L472 HydrophobicContact CD2-CG 3.65Å; D468-L472 WeakPolarHBondContact O-CB 3.43Å; D468-L472 VanDerWaalsContact O-CG 3.23Å; D468-L472 WeakPolarHBondContact O-CG 3.42Å; D468-L472 PolarHBondContact O-N 2.97Å
473H79Confident84.2Confident146 Ų14642.7 Ų42.768%0.67622%0.22SC*.Hα-helixtrans-126.5-2.3-166-50.2-45.4000114.7P469P469-H473 WeakPolarHBondContact O-CB 3.32Å; P469-H473 PolarHBondContact O-CD2 3.48Å; P469-H473 PolarHBondContact O-N 2.89Å
474K78.9Confident84Confident129 Ų12944.6 Ų44.656%0.56123%0.234SC*.THydrogen-bonded Turntrans-133.8-55.3-175.1-161.9-172.9172.3-158.10114.9W470W470-K474 HydrophobicContact CD2-CD 4.06Å; W470-K474 HydrophobicContact CE3-CD 3.77Å; W470-K474 HydrophobicContact CH2-CD 4.23Å; W470-K474 HydrophobicContact CZ2-CD 4.44Å; W470-K474 HydrophobicContact CZ3-CD 3.88Å; W470-K474 WeakPolarHBondContact O-CA 3.46Å; W470-K474 WeakPolarHBondContact O-CB 3.45Å; W470-K474 PolarHBondContact O-N 3.48Å
475S84.1Confident83.5Confident16 Ų1644.6 Ų44.611%0.11223%0.234CC..  trans-166.3149.9174.4-165.30000111.4C364 W470 L471 T477C364-S475 PolarHBondContact O-OG 3.25Å; W470-S475 PolarHBondContact O-N 3.38Å; L471-S475 WeakPolarHBondContact CA-O 3.3Å; S475-T477 PolarHBondContact O-N 2.94Å; S475-T477 PolarHBondContact OG-OG1 3.12Å
476S85.2Confident82.7Confident19 Ų1947 Ų4713%0.13324%0.237CC..SBendtrans-71.2-0.9172.550.60000114.1K365 I485K365-S476 WeakPolarHBondContact O-CB 3.38Å; K365-S476 PolarHBondContact O-N 2.84Å; K365-S476 PolarHBondContact O-OG 3.34Å; S476-I485 WeakPolarHBondContact O-CB 3.29Å; S476-I485 PolarHBondContact O-N 2.93Å
477T85.8Confident81.7Confident13 Ų1346.1 Ų46.18%0.0823%0.231CC..BIsolated β-bridgetrans-91.4151.1-178.762.30000113.5C364 W470 S475 N482 T483 P484C364-T477 HydrophobicContact CB-CG2 3.81Å; W470-T477 PolarHBondContact NE1-O 2.81Å; S475-T477 PolarHBondContact O-N 2.94Å; S475-T477 PolarHBondContact OG-OG1 3.12Å; T477-N482 WeakPolarHBondContact CB-O 3.2Å; T477-N482 VanDerWaalsContact CG2-O 3.28Å; T477-N482 WeakPolarHBondContact CG2-O 3.27Å; T477-T483 CarbonylContact C-O 3.58Å; T477-T483 VanDerWaalsContact CA-O 3.3Å; T477-T483 WeakPolarHBondContact CA-O 3.48Å; T477-P484 HydrophobicContact CG2-CB 4.41Å
478C83.5Confident80.1Confident0 Ų052.3 Ų52.30%026%0.26CS..  trans-62.1133.3172.8177.80000111.7L454 C458 I480 D481 N482 T483 I485L454-C478 HydrophobicContact CD1-CB 3.9Å; C458-C478 VanDerWaalsContact SG-CB 3.56Å; C458-C478 PolarHBondContact SG-SG 3.39Å; C478-I480 PolarHBondContact O-N 3.4Å; C478-D481 VanDerWaalsContact CB-OD1 3.29Å; C478-D481 WeakPolarHBondContact CB-OD1 3.03Å; C478-D481 PolarHBondContact SG-OD2 3.09Å; C478-N482 VanDerWaalsContact O-CA 3.28Å; C478-N482 WeakPolarHBondContact O-CA 3.5Å; C478-N482 PolarHBondContact O-N 2.98Å; C478-T483 PolarHBondContact N-O 3.06Å; C478-I485 HydrophobicContact CB-CD1 4.32Å
479P82.8Confident78.1Confident3 Ų360.2 Ų60.22%0.01929%0.293CS..THydrogen-bonded Turntrans-61.4-10.8178.8-20.827.7000117.4L440 F462 I467 W470L440-P479 HydrophobicContact CD1-CG 4.19Å; L440-P479 HydrophobicContact CD2-CB 3.93Å; L440-P479 HydrophobicContact CD2-CG 3.91Å; L440-P479 HydrophobicContact CG-CG 4.31Å; F462-P479 HydrophobicContact CE1-CG 4.31Å; F462-P479 HydrophobicContact CZ-CB 4.48Å; F462-P479 HydrophobicContact CZ-CG 4.05Å; I467-P479 HydrophobicContact CD1-CG 3.56Å; W470-P479 HydrophobicContact CD2-CB 4.28Å; W470-P479 HydrophobicContact CD2-CG 3.8Å; W470-P479 HydrophobicContact CE3-CB 4.4Å; W470-P479 HydrophobicContact CE3-CG 4.27Å; W470-P479 HydrophobicContact CG-CG 4.03Å; W470-P479 HydrophobicContact CH2-CB 4.01Å; W470-P479 HydrophobicContact CZ2-CB 3.92Å; W470-P479 HydrophobicContact CZ2-CG 4.15Å; W470-P479 HydrophobicContact CZ3-CB 4.25Å
480I77.6Confident75.9Confident11 Ų1162.8 Ų62.86%0.05631%0.308CS..THydrogen-bonded Turntrans-104.5-43.9-170.8-62.2159.7000111.8Q51 L439 H460 F462 C478Q51-I480 PolarHBondContact NE2-O 3.11Å; L439-I480 HydrophobicContact CB-CD1 4.09Å; L439-I480 HydrophobicContact CB-CG1 4.43Å; L439-I480 HydrophobicContact CD1-CD1 3.41Å; L439-I480 VanDerWaalsContact CD1-CD1 3.41Å; L439-I480 HydrophobicContact CD1-CG1 4.13Å; L439-I480 HydrophobicContact CG-CD1 4.36Å; H460-I480 HydrophobicContact CB-CD1 3.83Å; H460-I480 VanDerWaalsContact CD2-CD1 3.43Å; H460-I480 WeakPolarHBondContact CD2-CD1 3.44Å; H460-I480 VanDerWaalsContact CG-CD1 3.44Å; F462-I480 HydrophobicContact CE1-CD1 3.86Å; F462-I480 HydrophobicContact CE1-CG1 4.36Å; F462-I480 HydrophobicContact CE2-CD1 4.29Å; F462-I480 HydrophobicContact CZ-CD1 3.38Å; F462-I480 HydrophobicContact CZ-CG1 3.96Å; C478-I480 PolarHBondContact O-N 3.4Å
481D81.3Confident73.4Confident49 Ų4968 Ų6826%0.26234%0.338SS..THydrogen-bonded Turntrans-124.3-7.4-169.853.863.5000112.9C458 H460 C478 T483C458-D481 WeakPolarHBondContact CB-OD2 3.43Å; C458-D481 PolarHBondContact SG-OD2 3.06Å; H460-D481 IonicContact CE1-OD2 3.24Å; H460-D481 PolarHBondContact CE1-OD2 2.8Å; H460-D481 IonicContact CG-OD2 3.53Å; H460-D481 IonicContact ND1-OD2 2.69Å; H460-D481 PolarHBondContact ND1-OD2 2.91Å; C478-D481 VanDerWaalsContact CB-OD1 3.29Å; C478-D481 WeakPolarHBondContact CB-OD1 3.03Å; C478-D481 PolarHBondContact SG-OD2 3.09Å; D481-T483 PolarHBondContact O-N 2.95Å; D481-T483 WeakPolarHBondContact OD1-CA 3.22Å; D481-T483 WeakPolarHBondContact OD1-CB 3.19Å; D481-T483 PolarHBondContact OD1-N 2.95Å; D481-T483 PolarHBondContact OD1-OG1 3.01Å
482N80.8Confident70.8Confident92 Ų9275.1 Ų75.149%0.49238%0.376SS..  trans62.815.3-175.8-44-81.6000115.5T477 C478T477-N482 WeakPolarHBondContact CB-O 3.2Å; T477-N482 VanDerWaalsContact CG2-O 3.28Å; T477-N482 WeakPolarHBondContact CG2-O 3.27Å; C478-N482 VanDerWaalsContact O-CA 3.28Å; C478-N482 WeakPolarHBondContact O-CA 3.5Å; C478-N482 PolarHBondContact O-N 2.98Å
483T80.9Confident68.4Low47 Ų4782.7 Ų82.729%0.28841%0.407SS..PPolyproline II helixtrans-57.9126.3172.2-55.60000109.9T477 C478 D481 I485T477-T483 CarbonylContact C-O 3.58Å; T477-T483 VanDerWaalsContact CA-O 3.3Å; T477-T483 WeakPolarHBondContact CA-O 3.48Å; C478-T483 PolarHBondContact N-O 3.06Å; D481-T483 PolarHBondContact O-N 2.95Å; D481-T483 WeakPolarHBondContact OD1-CA 3.22Å; D481-T483 WeakPolarHBondContact OD1-CB 3.19Å; D481-T483 PolarHBondContact OD1-N 2.95Å; D481-T483 PolarHBondContact OD1-OG1 3.01Å; T483-I485 PolarHBondContact O-N 3.12Å
484P80.9Confident66.4Low60 Ų6084.7 Ų84.739%0.3941%0.414SS..BIsolated β-bridgetrans-70.5121.2177.228.1-33.7000110.6T477T477-P484 HydrophobicContact CG2-CB 4.41Å
485I78.5Confident64.3Low2 Ų283.2 Ų83.21%0.0142%0.42CS..PPolyproline II helixtrans-85.7118.7-179.7-50.5-51000108.9I375 L454 L471 S476 C478 T483I375-I485 HydrophobicContact CD1-CG2 3.61Å; I375-I485 HydrophobicContact CG1-CG2 4.12Å; L454-I485 HydrophobicContact CB-CD1 3.8Å; L454-I485 HydrophobicContact CB-CG1 4.3Å; L454-I485 HydrophobicContact CD1-CD1 4.15Å; L454-I485 HydrophobicContact CD1-CG1 4.09Å; L454-I485 HydrophobicContact CD2-CG1 4.4Å; L454-I485 HydrophobicContact CG-CD1 4.46Å; L454-I485 HydrophobicContact CG-CG1 4.5Å; L471-I485 HydrophobicContact CD2-CG1 4.47Å; S476-I485 WeakPolarHBondContact O-CB 3.29Å; S476-I485 PolarHBondContact O-N 2.93Å; C478-I485 HydrophobicContact CB-CD1 4.32Å; T483-I485 PolarHBondContact O-N 3.12Å
486R71.1Confident62Low184 Ų18487.5 Ų87.569%0.69445%0.45SS*.  trans-116.8124.1178-67.6178.3177.4156.70.4109
487P63.8Low59.8Low24 Ų2492.9 Ų92.916%0.15648%0.482CS..  trans-67.3145.8175.829.4-35.9000111.5E371 Q374 K489E371-P487 HydrophobicContact CB-CG 3.98Å; E371-P487 HydrophobicContact CG-CG 4.23Å; Q374-P487 HydrophobicContact CB-CB 3.42Å; Q374-P487 VanDerWaalsContact CB-CB 3.42Å; Q374-P487 HydrophobicContact CG-CB 4.24Å; P487-K489 PolarHBondContact O-N 3.2Å
488E57.6Low57.2Low130 Ų13099.4 Ų99.461%0.60752%0.516SS*.  trans-74.3116.3177-76.4179.4-173.800111.3P456 T490P456-E488 HydrophobicContact CG-CG 3.71Å; P456-E488 WeakPolarHBondContact CG-OE1 3.42Å; E488-T490 PolarHBondContact O-N 2.69Å; E488-T490 VanDerWaalsContact O-N 3.13Å
489K46.1Very low55.1Low193 Ų193111.4 Ų111.484%0.83956%0.562SS**  trans-67.2109.7170.8-65.4-177.7179.8-178.80109.1P487 I491P487-K489 PolarHBondContact O-N 3.2Å; K489-I491 PolarHBondContact O-N 2.94Å
490T37.2Very low52.8Low119 Ų119117.9 Ų117.973%0.7360%0.601SS**  trans-60.2115.7178.836.80000111.7E488 N492E488-T490 PolarHBondContact O-N 2.69Å; E488-T490 VanDerWaalsContact O-N 3.13Å; T490-N492 PolarHBondContact O-N 2.94Å; T490-N492 VanDerWaalsContact O-N 3.09Å
491I35.4Very low50.7Low154 Ų154123.2 Ų123.279%0.7964%0.636SS**  trans-74.5100.9176.6-62.9167.5000108.8K489 K493K489-I491 PolarHBondContact O-N 2.94Å; I491-K493 PolarHBondContact O-N 3.11Å
492N33Very low48.4Very low149 Ų149131.4 Ų131.480%0.79766%0.664SS**  trans-67.787.3176-85.6-27000111.8T490 K494T490-N492 PolarHBondContact O-N 2.94Å; T490-N492 VanDerWaalsContact O-N 3.09Å; N492-K494 PolarHBondContact O-N 3.32Å
493K33.4Very low46.3Very low197 Ų197134.5 Ų134.586%0.85768%0.675SS**  trans-71.273.4166.6-80.9-171.3172.5-178.50111.7I491I491-K493 PolarHBondContact O-N 3.11Å
494K36Very low44.1Very low188 Ų188143.5 Ų143.582%0.81770%0.704SS**  trans-143.693.7158.6-66.2-169.8-179.9-178.30108.3N492N492-K494 PolarHBondContact O-N 3.32Å
495S36.1Very low41.8Very low98 Ų98145.9 Ų145.969%0.68572%0.717SS**  64.3100.180.274.70000114
496S35.8Very low39.7Very low106 Ų106152.2 Ų152.274%0.74175%0.752SS**  trans63.8141.1150.551.10000121.8
497T38.1Very low37.9Very low131 Ų131152.1 Ų152.180%0.80476%0.759SS**  trans65.398.6153.549.30000120.5
498N32.4Very low36.5Very low151 Ų151159.5 Ų159.581%0.80779%0.794SS**  trans-5.7125.3138.3-52.1-13.7000117.6
499R38.5Very low35.4Very low252 Ų252161.5 Ų161.595%0.95181%0.808SS**  -175.2167.6114.1-95.2157.6-162-138.43.2111.6
500T34.5Very low34.7Very low139 Ų139158.8 Ų158.885%0.85380%0.802SS**  trans-86.9163.2-165.125.40000114.8
501P33.6Very low34.7Very low122 Ų122159.1 Ų159.179%0.79280%0.799SS**  trans-97.7154.7-162.637.2-36.2000115.3
502R33.5Very low35Very low221 Ų221158.7 Ų158.783%0.83480%0.799SS**  trans-159.5121.6154.4-137.5175178.7168.93.1116.6
503Q36.3Very low35.4Very low158 Ų158157.7 Ų157.774%0.73879%0.793SS**  trans22.5120.6142.8-55.3169-71.100121.7
504R35.3Very low35.7Very low235 Ų235151.5 Ų151.589%0.88777%0.774SS**  trans-173.8122.2130.1-95.9165.5-178.7-178.4-0.6106
505T31.3Very low35.9Very low110 Ų110150 Ų15068%0.67577%0.77SS**  49.7121.784.374.40000110.9
506D35Very low36Very low136 Ų136152.2 Ų152.273%0.72777%0.774SS**  cis-149.9157.242.2-77.7-64.5000116.1
507E33.2Very low36.2Very low181 Ų181154.6 Ų154.685%0.84677%0.77SS**  trans54176144.1-64.8-172.5143.800123.2
508M34.4Very low36.3Very low180 Ų180154.2 Ų154.289%0.88776%0.762SS**  trans60.776.8177.6-59.8-172.171.900118.4
509L35.4Very low36.5Very low172 Ų172156.4 Ų156.490%0.90177%0.765SS**  trans-169.946.1141.9-108.7167000114.2
510N31.1Very low36.2Very low135 Ų135148.4 Ų148.472%0.72275%0.752SS**  trans-106.6108.6172.4-179.356.2000110.3
511D37.4Very low36.4Very low126 Ų126150.5 Ų150.567%0.67475%0.75SS**SBendtrans-172-45.6163.4-97.7-30.5000111.4L513D511-L513 VanDerWaalsContact C-N 3.27Å; D511-L513 PolarHBondContact O-N 3.24Å; D511-L513 VanDerWaalsContact O-N 3.08Å
512N40.6Very low36.6Very low145 Ų145153.5 Ų153.578%0.77575%0.753SS**THydrogen-bonded Turntrans-80.514.5-168.5-73.1-72000116.3
513L41.2Very low36.6Very low129 Ų129151.1 Ų151.168%0.67576%0.755SS**THydrogen-bonded Turntrans-1170.1178.8-150.470.5000113.8D511D511-L513 VanDerWaalsContact C-N 3.27Å; D511-L513 PolarHBondContact O-N 3.24Å; D511-L513 VanDerWaalsContact O-N 3.08Å
514S40.2Very low36.5Very low66 Ų66153.2 Ų153.246%0.46277%0.765SS.*SBendtrans-83.4-52.2-177.4-56.20000112.2L516 K517S514-L516 PolarHBondContact O-N 2.83Å; S514-K517 PolarHBondContact O-N 3Å
515E40.3Very low36.3Very low156 Ų156145.2 Ų145.273%0.72976%0.755SS**G310 helixtrans-67.2-36.4-170.6-59.1-153.3129.400113.7K517 I518E515-K517 PolarHBondContact O-N 2.89Å; E515-K517 VanDerWaalsContact O-N 3.08Å; E515-I518 WeakPolarHBondContact O-CB 3.39Å; E515-I518 PolarHBondContact O-N 3.12Å
516L38Very low36.6Very low146 Ų146149.4 Ų149.476%0.76476%0.764SS**G310 helixtrans-68.1-7.2179.8-75.2167.6000114.1S514S514-L516 PolarHBondContact O-N 2.83Å
517K40.2Very low36.7Very low155 Ų155148.7 Ų148.767%0.67477%0.766SS**G310 helixtrans-94.6-8.8170.1-75.1179.5177.1172.30114S514 E515S514-K517 PolarHBondContact O-N 3Å; E515-K517 PolarHBondContact O-N 2.89Å; E515-K517 VanDerWaalsContact O-N 3.08Å
518I40.7Very low36.9Very low123 Ų123149.2 Ų149.263%0.63177%0.766SS**THydrogen-bonded Turntrans-85.3-36.8-177.4-62.6176.5000111.2E515 A520E515-I518 WeakPolarHBondContact O-CB 3.39Å; E515-I518 PolarHBondContact O-N 3.12Å; I518-A520 VanDerWaalsContact C-N 3.25Å; I518-A520 PolarHBondContact O-N 3.26Å
519F35.3Very low37.1Very low198 Ų198148.4 Ų148.487%0.86876%0.764SS**THydrogen-bonded Turntrans-73.3-5.4-179.7-93.3-89.5000115.8
520A33.3Very low37.2Very low83 Ų83148.9 Ų148.969%0.68676%0.759SS**THydrogen-bonded Turntrans-97.612.5-172.800000115.2I518I518-A520 VanDerWaalsContact C-N 3.25Å; I518-A520 PolarHBondContact O-N 3.26Å
521K38.9Very low37.5Very low183 Ų183147.1 Ų147.180%0.79676%0.762SS**SBendtrans-131.534.6-171-85.3-169.8170.1-174.90115.4
522H36.4Very low37.6Very low185 Ų185148.3 Ų148.386%0.85677%0.769SS**SBendtrans-136.321.9-174.1-108.848.9000117.1
523I35.1Very low37.4Very low171 Ų171146.8 Ų146.888%0.87777%0.767SS**SBendtrans-120.2-7.3178-58.7-177.6000113
524E32.5Very low37.2Very low203 Ų203144.9 Ų144.995%0.94977%0.77SS**  trans-102.679.1177-63.5-160.9141.100112.7
525G32.4Very low37.3Very low66 Ų66150.5 Ų150.568%0.6879%0.789SS**  trans-143.486.6179.800000113.4P527G525-P527 VanDerWaalsContact O-CD 3.3Å; G525-P527 WeakPolarHBondContact O-CD 3.31Å
526K37.7Very low37.1Very low199 Ų199150.7 Ų150.787%0.86579%0.794SS**  trans-84.9113.5174.7-69.8178.9-179.6173.70111K528K526-K528 PolarHBondContact O-N 2.98Å; K526-K528 VanDerWaalsContact O-N 3.12Å
527P36.7Very low37.3Very low120 Ų120149.7 Ų149.778%0.77980%0.8SS**  trans-72.7104.517029.3-32.9000110.4G525 I529G525-P527 VanDerWaalsContact O-CD 3.3Å; G525-P527 WeakPolarHBondContact O-CD 3.31Å; P527-I529 PolarHBondContact O-N 3.11Å
528K36.3Very low37.1Very low192 Ų192147.4 Ų147.484%0.83580%0.803SS**  trans-79.192.7169.8-73-176.3178.5178.80110K526 K530K526-K528 PolarHBondContact O-N 2.98Å; K526-K528 VanDerWaalsContact O-N 3.12Å; K528-K530 PolarHBondContact O-N 3.49Å
529I38.9Very low37.2Very low163 Ų163151 Ų15184%0.83681%0.814SS**PPolyproline II helixtrans-71.3117.8165.7-61.4177.1000107.9P527P527-I529 PolarHBondContact O-N 3.11Å
530K38.7Very low37.4Very low183 Ų183146.4 Ų146.480%0.79681%0.807SS**PPolyproline II helixtrans-85.5130.3174.6-64.3179.3-179.2178.10109.5K528K528-K530 PolarHBondContact O-N 3.49Å
531A37.4Very low37.9Very low97 Ų97148 Ų14880%0.80281%0.808SS**PPolyproline II helixtrans-99.1123.4159.200000108.3
532N39.8Very low38Very low151 Ų151149.9 Ų149.981%0.80781%0.81SS**PPolyproline II helixtrans-82136174.7-80.8-1.7000110.4
533P36.1Very low38.3Very low113 Ų113147.1 Ų147.173%0.73480%0.802SS**PPolyproline II helixtrans-93.1165.8169.537.1-34000112.7
534A36Very low38.9Very low90 Ų90143 Ų14374%0.74479%0.788SS**  trans64.3127.6171.400000116.1
535H42.1Very low39.5Very low184 Ų184143 Ų14385%0.85279%0.785SS**  -150.1151.965.3-114.9-94.8000114.8
536N36.7Very low40.2Very low159 Ų159149.8 Ų149.885%0.8579%0.79SS**  trans-89.8135.2164.2-78.2-25.4000110.5
537S41.3Very low40.9Very low126 Ų126151 Ų15188%0.88179%0.79SS**  trans-161.8148.913858.70000111.1
538S37.3Very low41.5Very low106 Ų106154.2 Ų154.274%0.74179%0.791SS**  trans-92.7148.2-171.845.30000113
539K41.6Very low42.4Very low200 Ų200156.4 Ų156.487%0.8781%0.81SS**  -168.2149.2122.1-102.8158-172.8179.20114.2
540S41.1Very low42.6Very low101 Ų101156.1 Ų156.171%0.70681%0.808SS**  trans-42.8161.6164.855.10000114.8
541T42.2Very low42.8Very low117 Ų117154.7 Ų154.772%0.71881%0.809SS**  cis-153.116640.448.40000114.5
542R42.5Very low43.1Very low222 Ų222157.9 Ų157.984%0.83881%0.81SS**  trans21.4147.2139.2-71.7178.1169.6145.4-1.1120.8
543D42.9Very low43.3Very low127 Ų127158.3 Ų158.368%0.67981%0.81SS**  cis-147.3172.411.5-134.6-57.9000114.7
544S45.9Very low43.7Very low85 Ų85161.1 Ų161.159%0.59481%0.814SS**  trans-67158.4-178.1570000116.2
545F47Very low44.2Very low201 Ų201165.9 Ų165.988%0.88282%0.819SS**  -151.1168.7127-118-81.3000111.2
546R47.1Very low44.4Very low209 Ų209164.6 Ų164.679%0.78982%0.817SS**  trans-151.5134.9-148.4170.5-168178.8-159.13.6113.9
547R51.9Low45Very low226 Ų226165 Ų16585%0.85381%0.814SS**  trans168.6129.7145.3-87.2147.7-148.4-145.37.3106.5
548K48.9Very low45.3Very low186 Ų186168.3 Ų168.381%0.80981%0.809SS**  56.791.251.9-81.3-149.1172.6-160.80114
549I55.1Low46Very low239 Ų239173.9 Ų173.9100%1.22682%0.815SS**  -108.6094-68.1-178.1000106.6

Retrieved 549 of 549 residues in 1171.6 ms (Link to these results)

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