A0A5K4F6K9_SCHMA Loading...

GT23 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6K9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 592 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
1M23.5Very low31.9Very low227 Ų227120.2 Ų120.2100%1.11854%0.544SS*.  01240-126.2171.7157.600107.9Y3M1-Y3 VanDerWaalsContact C-N 3.25Å; M1-Y3 PolarHBondContact O-N 2.93Å
2R24.9Very low32.6Very low249 Ų249111.2 Ų111.294%0.9450%0.504SS*.  trans-63.982.3175.3-83.7178.7174.4168.9-2.4110.1
3Y23.9Very low33.5Very low164 Ų164109.5 Ų109.564%0.64351%0.507SS*.  trans-138.9101151.2-88.5-82.8000105M1M1-Y3 VanDerWaalsContact C-N 3.25Å; M1-Y3 PolarHBondContact O-N 2.93Å
4S28.9Very low34.5Very low71 Ų71103.1 Ų103.150%0.49748%0.479SS..  trans-60.3148.7169173.80000107.9K6S4-K6 PolarHBondContact O-N 3.41Å; S4-K6 WeakPolarHBondContact OG-CB 3.45Å; S4-K6 WeakPolarHBondContact OG-CD 3.23Å; S4-K6 WeakPolarHBondContact OG-CE 3.4Å; S4-K6 WeakPolarHBondContact OG-CG 3.39Å; S4-K6 PolarHBondContact OG-N 2.97Å
5R33Very low35.2Very low149 Ų14998.5 Ų98.556%0.56246%0.455SS*.SBendtrans-53.417.4162.4-90.4175.4164.6175.7-6.1114.1E7 S171R5-E7 PolarHBondContact O-N 3.28Å; R5-S171 PolarHBondContact NH2-OG 2.6Å
6K35.5Very low35.9Very low111 Ų11195.3 Ų95.348%0.48344%0.442SS..THydrogen-bonded Turntrans-73.3-7.6-172.9-94.4168.2-166.9-175.90116.1S4S4-K6 PolarHBondContact O-N 3.41Å; S4-K6 WeakPolarHBondContact OG-CB 3.45Å; S4-K6 WeakPolarHBondContact OG-CD 3.23Å; S4-K6 WeakPolarHBondContact OG-CE 3.4Å; S4-K6 WeakPolarHBondContact OG-CG 3.39Å; S4-K6 PolarHBondContact OG-N 2.97Å
7E33Very low36.6Very low116 Ų11692.4 Ų92.454%0.54243%0.434SS..THydrogen-bonded Turntrans-106.3-10.6178.4-68.3-166.6161.900114.3R5 S69R5-E7 PolarHBondContact O-N 3.28Å; E7-S69 WeakPolarHBondContact OE2-CB 3.26Å
8F34.8Very low37.1Very low61 Ų6190.6 Ų90.627%0.26843%0.427SS..SBendtrans-90.6-21.2-168.8-148.9-96.7000114.2F70 R100 L165F8-F70 HydrophobicContact CD2-CD1 4.39Å; F8-F70 AromaticContact CD2-CE1 3.95Å; F8-F70 HydrophobicContact CD2-CE1 3.95Å; F8-F70 HydrophobicContact CD2-CE2 4.48Å; F8-F70 AromaticContact CD2-CZ 3.99Å; F8-F70 HydrophobicContact CD2-CZ 3.99Å; F8-F70 HydrophobicContact CE1-CE1 4.11Å; F8-F70 HydrophobicContact CE1-CZ 4.27Å; F8-F70 AromaticContact CE2-CD1 3.53Å; F8-F70 HydrophobicContact CE2-CD1 3.53Å; F8-F70 AromaticContact CE2-CE1 3.12Å; F8-F70 HydrophobicContact CE2-CE1 3.12Å; F8-F70 HydrophobicContact CE2-CE2 4.38Å; F8-F70 HydrophobicContact CE2-CG 4.34Å; F8-F70 AromaticContact CE2-CZ 3.6Å; F8-F70 HydrophobicContact CE2-CZ 3.6Å; F8-F70 HydrophobicContact CG-CZ 4.5Å; F8-F70 HydrophobicContact CZ-CD1 4.01Å; F8-F70 AromaticContact CZ-CE1 3.23Å; F8-F70 HydrophobicContact CZ-CE1 3.23Å; F8-F70 AromaticContact CZ-CZ 3.78Å; F8-F70 HydrophobicContact CZ-CZ 3.78Å; F8-R100 HydrophobicContact CZ-CG 4.26Å; F8-L165 HydrophobicContact CE1-CB 4.47Å; F8-L165 HydrophobicContact CE1-CD1 3.98Å; F8-L165 HydrophobicContact CZ-CD1 4.29Å
9N40.9Very low37.8Very low97 Ų9786.7 Ų86.752%0.51941%0.409SS..SBendtrans-90.6-1.8174.2-94.5-7.4000113.9
10L37.5Very low38.3Very low74 Ų7485.6 Ų85.639%0.38741%0.41SS..THydrogen-bonded Turntrans-104.812.7-159.7-135.298.5000114.8L14 I526L10-L14 WeakPolarHBondContact O-CD1 3.37Å; L10-L14 VanDerWaalsContact O-CD2 3.28Å; L10-L14 WeakPolarHBondContact O-CD2 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-I526 HydrophobicContact CD1-CD1 4.48Å; L10-I526 HydrophobicContact CD2-CD1 3.7Å
11S35.4Very low38.6Very low3 Ų383.2 Ų83.22%0.02140%0.4CS..THydrogen-bonded Turntrans-120-31.3-173.3530000114.7I66S11-I66 VanDerWaalsContact CB-CG1 3.44Å
12V39.6Very low39.7Very low12 Ų1273.5 Ų73.57%0.07335%0.353CS..THydrogen-bonded Turntrans-92.4-37.1-175.8156.40000112L14 I107 L158 L162V12-L14 PolarHBondContact O-N 2.89Å; V12-I107 HydrophobicContact CG2-CD1 3.83Å; V12-I107 HydrophobicContact CG2-CG1 4.08Å; V12-L158 HydrophobicContact CB-CD1 4.45Å; V12-L158 HydrophobicContact CB-CD2 3.74Å; V12-L158 HydrophobicContact CB-CG 3.89Å; V12-L158 HydrophobicContact CG1-CB 4.22Å; V12-L158 HydrophobicContact CG1-CD1 4.24Å; V12-L158 HydrophobicContact CG1-CD2 3.37Å; V12-L158 HydrophobicContact CG1-CG 3.28Å; V12-L158 HydrophobicContact CG2-CD1 3.57Å; V12-L158 HydrophobicContact CG2-CD2 3.58Å; V12-L158 HydrophobicContact CG2-CG 3.56Å; V12-L162 HydrophobicContact CB-CD1 3.54Å; V12-L162 HydrophobicContact CB-CG 4.39Å; V12-L162 HydrophobicContact CG1-CD1 3.41Å; V12-L162 VanDerWaalsContact CG1-CD1 3.41Å; V12-L162 HydrophobicContact CG1-CG 4.16Å; V12-L162 HydrophobicContact CG2-CD1 3.75Å; V12-L162 HydrophobicContact CG2-CD2 4.2Å; V12-L162 HydrophobicContact CG2-CG 4.15Å
13V44.2Very low40.9Very low89 Ų8962.4 Ų62.454%0.53931%0.312SS..THydrogen-bonded Turntrans-74.7-6.5178.1-175.80000111.1W15V13-W15 PolarHBondContact O-N 2.96Å
14L48.1Very low41.9Very low21 Ų2159.8 Ų59.811%0.1131%0.308CS..THydrogen-bonded Turntrans-73.1-13.6-169.4-74.5-178.1000116.6L10 V12 I66 Y580L10-L14 WeakPolarHBondContact O-CD1 3.37Å; L10-L14 VanDerWaalsContact O-CD2 3.28Å; L10-L14 WeakPolarHBondContact O-CD2 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; V12-L14 PolarHBondContact O-N 2.89Å; L14-I66 HydrophobicContact CD1-CD1 4.23Å; L14-Y580 HydrophobicContact CD2-CD2 3.85Å; L14-Y580 HydrophobicContact CD2-CG 3.84Å
15W45.2Very low42.7Very low34 Ų3458.4 Ų58.413%0.12930%0.298CS..SBendtrans-124.5-15.4-167.9-7294.4000114.9V13 L19 V55 W58 V59 L114V13-W15 PolarHBondContact O-N 2.96Å; W15-L19 WeakPolarHBondContact O-CD1 3.35Å; W15-V55 HydrophobicContact CE3-CG1 4.33Å; W15-V55 HydrophobicContact CH2-CB 4.34Å; W15-V55 HydrophobicContact CH2-CG1 3.07Å; W15-V55 HydrophobicContact CZ2-CG1 4.38Å; W15-V55 HydrophobicContact CZ3-CG1 3.05Å; W15-W58 HydrophobicContact CZ2-CE3 4.44Å; W15-W58 HydrophobicContact CZ2-CZ3 4.49Å; W15-V59 HydrophobicContact CH2-CB 4.37Å; W15-V59 HydrophobicContact CH2-CG2 3.05Å; W15-V59 HydrophobicContact CZ2-CB 4.1Å; W15-V59 HydrophobicContact CZ2-CG1 4.17Å; W15-V59 HydrophobicContact CZ2-CG2 3.16Å; W15-V59 HydrophobicContact CZ3-CG2 4.06Å; W15-L114 HydrophobicContact CE3-CD1 4.3Å; W15-L114 HydrophobicContact CE3-CD2 4.18Å; W15-L114 HydrophobicContact CH2-CD1 4.32Å; W15-L114 HydrophobicContact CZ3-CD1 4.11Å; W15-L114 HydrophobicContact CZ3-CD2 3.97Å
16L46.4Very low43.4Very low47 Ų4752.1 Ų52.125%0.24628%0.276CS..THydrogen-bonded Turntrans-62.6-34.9-173.6-120.5163000115.7P20 I155L16-P20 WeakPolarHBondContact O-CD 3.21Å; L16-P20 WeakPolarHBondContact O-CG 3.36Å; L16-I155 HydrophobicContact CD1-CB 4.4Å; L16-I155 HydrophobicContact CD1-CD1 4.46Å; L16-I155 HydrophobicContact CD1-CG1 4.21Å; L16-I155 HydrophobicContact CD1-CG2 3.4Å; L16-I155 HydrophobicContact CD2-CB 4.49Å; L16-I155 HydrophobicContact CD2-CD1 3.48Å; L16-I155 VanDerWaalsContact CD2-CD1 3.48Å; L16-I155 HydrophobicContact CD2-CG1 4.14Å; L16-I155 HydrophobicContact CD2-CG2 3.73Å; L16-I155 HydrophobicContact CG-CB 4.27Å; L16-I155 HydrophobicContact CG-CD1 3.47Å; L16-I155 VanDerWaalsContact CG-CD1 3.47Å; L16-I155 HydrophobicContact CG-CG1 3.69Å; L16-I155 HydrophobicContact CG-CG2 3.62Å
17P47.6Very low43.7Very low46 Ų4651.6 Ų51.630%0.29928%0.275SS..THydrogen-bonded Turntrans-86.9-19-175.3-15.832.2000115.9V21 N548 G549P17-V21 WeakPolarHBondContact O-CG2 3.46Å; P17-N548 CarbonylContact O-C 3.58Å; P17-G549 VanDerWaalsContact CB-CA 3.49Å; P17-G549 VanDerWaalsContact CB-N 3.29Å
18L45.8Very low44.1Very low59 Ų5949.3 Ų49.331%0.30927%0.266SS..Hα-helixtrans-82.5-27.4180-93.1157.7000112.6V21 L22L18-V21 WeakPolarHBondContact O-CB 3.48Å; L18-V21 PolarHBondContact O-N 3.12Å; L18-L22 PolarHBondContact O-N 3.1Å; L18-L22 VanDerWaalsContact O-N 3.14Å
19L49.9Very low44.4Very low18 Ų1849.2 Ų49.29%0.09427%0.265CS..Hα-helixtrans-66-45.2176.5-99119.6000114.1W15 V21 L22 M23 Y147 V151W15-L19 WeakPolarHBondContact O-CD1 3.35Å; L19-V21 PolarHBondContact O-N 3.28Å; L19-L22 PolarHBondContact O-N 3.49Å; L19-M23 HydrophobicContact CD2-CE 4.44Å; L19-M23 WeakPolarHBondContact O-CB 3.41Å; L19-M23 WeakPolarHBondContact O-CG 3.37Å; L19-M23 PolarHBondContact O-N 3.4Å; L19-Y147 HydrophobicContact CD2-CD1 4.28Å; L19-Y147 HydrophobicContact CD2-CE1 3.4Å; L19-Y147 HydrophobicContact CG-CE1 4.28Å; L19-V151 HydrophobicContact CD1-CG1 3.51Å; L19-V151 HydrophobicContact CD2-CB 3.62Å; L19-V151 HydrophobicContact CD2-CG1 3.4Å; L19-V151 VanDerWaalsContact CD2-CG1 3.4Å; L19-V151 HydrophobicContact CD2-CG2 3.8Å; L19-V151 HydrophobicContact CG-CG1 3.98Å
20P47.6Very low44.6Very low64 Ų6446.9 Ų46.942%0.41625%0.25SC..Hα-helixtrans-59.2-32.4172.3-25.933.1000112.9L16 M23 L24L16-P20 WeakPolarHBondContact O-CD 3.21Å; L16-P20 WeakPolarHBondContact O-CG 3.36Å; P20-M23 CarbonylContact O-C 3.57Å; P20-M23 PolarHBondContact O-N 3.39Å; P20-L24 VanDerWaalsContact O-CB 3.25Å; P20-L24 WeakPolarHBondContact O-CB 3.41Å; P20-L24 WeakPolarHBondContact O-CG 3.37Å; P20-L24 PolarHBondContact O-N 2.98Å
21V44.7Very low44.8Very low35 Ų3553.1 Ų53.121%0.21227%0.269CS..Hα-helixtrans-68.6-44.1176.4-178.40000110.8P17 L18 L19 M23 L24 C25 N548P17-V21 WeakPolarHBondContact O-CG2 3.46Å; L18-V21 WeakPolarHBondContact O-CB 3.48Å; L18-V21 PolarHBondContact O-N 3.12Å; L19-V21 PolarHBondContact O-N 3.28Å; V21-M23 VanDerWaalsContact C-N 3.3Å; V21-M23 PolarHBondContact O-N 3.27Å; V21-L24 PolarHBondContact O-N 3.45Å; V21-C25 WeakPolarHBondContact O-CB 3.44Å; V21-C25 PolarHBondContact O-N 3.18Å; V21-C25 PolarHBondContact O-SG 3.25Å; V21-N548 HydrophobicContact CG2-CB 3.47Å; V21-N548 VanDerWaalsContact CG2-CB 3.47Å; V21-N548 WeakPolarHBondContact CG2-O 3.15Å
22L47.6Very low45Very low24 Ų2458.8 Ų58.813%0.12629%0.293CS..Hα-helixtrans-61.5-43.8173.8-145.886.5000110.6L18 L19 C25 I26 E52 L117L18-L22 PolarHBondContact O-N 3.1Å; L18-L22 VanDerWaalsContact O-N 3.14Å; L19-L22 PolarHBondContact O-N 3.49Å; L22-C25 PolarHBondContact O-N 3.12Å; L22-I26 HydrophobicContact CD2-CD1 3.98Å; L22-I26 HydrophobicContact CG-CD1 4.07Å; L22-I26 WeakPolarHBondContact O-CB 3.37Å; L22-I26 VanDerWaalsContact O-CD1 3.25Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 3.37Å; L22-E52 HydrophobicContact CD1-CG 4.48Å; L22-E52 WeakPolarHBondContact CD1-OE1 3.47Å; L22-E52 WeakPolarHBondContact CD2-OE1 3.23Å; L22-L117 HydrophobicContact CD2-CD1 3.61Å; L22-L117 HydrophobicContact CD2-CD2 4.13Å; L22-L117 HydrophobicContact CD2-CG 4.47Å
23M48.9Very low45.1Very low15 Ų1564.5 Ų64.57%0.07432%0.316CS..Hα-helixtrans-65.6-38.1178-67.6-60.8164.900113L19 P20 V21 I26 E27 Y147 R148L19-M23 HydrophobicContact CD2-CE 4.44Å; L19-M23 WeakPolarHBondContact O-CB 3.41Å; L19-M23 WeakPolarHBondContact O-CG 3.37Å; L19-M23 PolarHBondContact O-N 3.4Å; P20-M23 CarbonylContact O-C 3.57Å; P20-M23 PolarHBondContact O-N 3.39Å; V21-M23 VanDerWaalsContact C-N 3.3Å; V21-M23 PolarHBondContact O-N 3.27Å; M23-I26 PolarHBondContact O-N 3.21Å; M23-E27 VanDerWaalsContact O-CB 3.32Å; M23-E27 WeakPolarHBondContact O-CB 3.46Å; M23-E27 PolarHBondContact O-N 3.17Å; M23-Y147 HydrophobicContact CE-CD1 3.62Å; M23-Y147 HydrophobicContact CE-CE1 4.1Å; M23-R148 VanDerWaalsContact CE-CA 3.44Å; M23-R148 HydrophobicContact CE-CB 3.28Å; M23-R148 HydrophobicContact CE-CG 3.71Å; M23-R148 HydrophobicContact CG-CB 4.49Å; M23-R148 HydrophobicContact CG-CG 3.95Å; M23-R148 HydrophobicContact SD-CB 3.67Å; M23-R148 VanDerWaalsContact SD-CD 3.55Å; M23-R148 HydrophobicContact SD-CG 3.75Å
24L45.8Very low44.8Very low109 Ų10966.7 Ų66.757%0.57133%0.33SS*.Hα-helixtrans-67.9-40.4173.8-78.7166000111.1P20 V21 I26 D28P20-L24 VanDerWaalsContact O-CB 3.25Å; P20-L24 WeakPolarHBondContact O-CB 3.41Å; P20-L24 WeakPolarHBondContact O-CG 3.37Å; P20-L24 PolarHBondContact O-N 2.98Å; V21-L24 PolarHBondContact O-N 3.45Å; L24-I26 VanDerWaalsContact C-N 3.3Å; L24-I26 PolarHBondContact O-N 3.22Å; L24-D28 WeakPolarHBondContact O-CB 3.34Å; L24-D28 PolarHBondContact O-N 2.78Å
25C44.8Very low44Very low42 Ų4269.7 Ų69.728%0.28435%0.353SS..Hα-helixtrans-65.7-35.4174.2-70.60000112V21 L22 Y29 N48V21-C25 WeakPolarHBondContact O-CB 3.44Å; V21-C25 PolarHBondContact O-N 3.18Å; V21-C25 PolarHBondContact O-SG 3.25Å; L22-C25 PolarHBondContact O-N 3.12Å; C25-Y29 WeakPolarHBondContact O-CB 3.42Å; C25-Y29 PolarHBondContact O-N 3.16Å; C25-N48 PolarHBondContact SG-ND2 3.37Å
26I47.9Very low43.3Very low18 Ų1873.2 Ų73.29%0.09238%0.383CS..Hα-helixtrans-73.9-43.7176.6-69.7161.2000110.9L22 M23 L24 Y29 F30 L144L22-I26 HydrophobicContact CD2-CD1 3.98Å; L22-I26 HydrophobicContact CG-CD1 4.07Å; L22-I26 WeakPolarHBondContact O-CB 3.37Å; L22-I26 VanDerWaalsContact O-CD1 3.25Å; L22-I26 WeakPolarHBondContact O-CD1 3.4Å; L22-I26 WeakPolarHBondContact O-CG1 3.34Å; L22-I26 PolarHBondContact O-N 3.37Å; M23-I26 PolarHBondContact O-N 3.21Å; L24-I26 VanDerWaalsContact C-N 3.3Å; L24-I26 PolarHBondContact O-N 3.22Å; I26-Y29 WeakPolarHBondContact O-CB 3.41Å; I26-Y29 PolarHBondContact O-N 3.31Å; I26-F30 HydrophobicContact CG2-CD2 3.69Å; I26-F30 HydrophobicContact CG2-CE2 3.46Å; I26-F30 VanDerWaalsContact CG2-CE2 3.46Å; I26-F30 WeakPolarHBondContact O-CD2 3.42Å; I26-F30 PolarHBondContact O-N 3.5Å; I26-L144 HydrophobicContact CD1-CD1 3.86Å; I26-L144 HydrophobicContact CD1-CD2 3.66Å; I26-L144 HydrophobicContact CD1-CG 4.22Å; I26-L144 HydrophobicContact CG1-CD1 4.12Å; I26-L144 HydrophobicContact CG2-CD1 3.76Å
27E42Very low42.8Very low100 Ų10079.8 Ų79.847%0.46741%0.409SS..Hα-helixtrans-66.3-41.4175.4-87.5-177.317300111.8M23 Y29 F30 R31 R148M23-E27 VanDerWaalsContact O-CB 3.32Å; M23-E27 WeakPolarHBondContact O-CB 3.46Å; M23-E27 PolarHBondContact O-N 3.17Å; E27-Y29 VanDerWaalsContact C-N 3.32Å; E27-F30 PolarHBondContact O-N 3.36Å; E27-R31 WeakPolarHBondContact O-CB 3.43Å; E27-R31 PolarHBondContact O-N 3.13Å; E27-R148 IonicContact OE1-CZ 3.24Å; E27-R148 IonicContact OE1-NH1 3.96Å; E27-R148 PolarHBondContact OE1-NH1 3.34Å
28D41.9Very low42.5Very low67 Ų6782.5 Ų82.536%0.35843%0.426SS..Hα-helixtrans-66.8-35.3174.9-16244.8000111L24 R31 K32L24-D28 WeakPolarHBondContact O-CB 3.34Å; L24-D28 PolarHBondContact O-N 2.78Å; D28-R31 PolarHBondContact O-N 3.4Å; D28-K32 WeakPolarHBondContact O-CB 3.36Å; D28-K32 PolarHBondContact O-N 2.84Å; D28-K32 WeakPolarHBondContact OD1-CE 3.45Å; D28-K32 IonicContact OD1-NZ 3.13Å; D28-K32 PolarHBondContact OD1-NZ 3.48Å; D28-K32 WeakPolarHBondContact OD2-CE 3.38Å; D28-K32 IonicContact OD2-NZ 2.91Å; D28-K32 PolarHBondContact OD2-NZ 3.39Å
29Y41.7Very low42Very low59 Ų5986.8 Ų86.823%0.23144%0.444CS..Hα-helixtrans-59.7-43.5169.3170.6-90.5000112.2C25 I26 E27 L45C25-Y29 WeakPolarHBondContact O-CB 3.42Å; C25-Y29 PolarHBondContact O-N 3.16Å; I26-Y29 WeakPolarHBondContact O-CB 3.41Å; I26-Y29 PolarHBondContact O-N 3.31Å; E27-Y29 VanDerWaalsContact C-N 3.32Å; Y29-L45 HydrophobicContact CD2-CD1 4.25Å; Y29-L45 HydrophobicContact CG-CD1 4.45Å
30F44.5Very low41.2Very low48 Ų4893.1 Ų93.121%0.21148%0.477CS..Hα-helixtrans-78.3-30.8179.2-73.6-62.2000113.5I26 E27 V137 Q141I26-F30 HydrophobicContact CG2-CD2 3.69Å; I26-F30 HydrophobicContact CG2-CE2 3.46Å; I26-F30 VanDerWaalsContact CG2-CE2 3.46Å; I26-F30 WeakPolarHBondContact O-CD2 3.42Å; I26-F30 PolarHBondContact O-N 3.5Å; E27-F30 PolarHBondContact O-N 3.36Å; F30-V137 HydrophobicContact CE1-CG1 3.88Å; F30-Q141 VanDerWaalsContact CD1-CD 3.48Å; F30-Q141 HydrophobicContact CD1-CG 4.26Å; F30-Q141 HydrophobicContact CD2-CG 4.08Å; F30-Q141 HydrophobicContact CE1-CB 4.06Å; F30-Q141 HydrophobicContact CE1-CG 3.74Å; F30-Q141 HydrophobicContact CE2-CB 4.12Å; F30-Q141 HydrophobicContact CE2-CG 3.55Å; F30-Q141 HydrophobicContact CG-CG 4.44Å; F30-Q141 HydrophobicContact CZ-CB 3.57Å; F30-Q141 VanDerWaalsContact CZ-CD 3.49Å; F30-Q141 HydrophobicContact CZ-CG 3.38Å
31R41Very low40.6Very low206 Ų20692.4 Ų92.478%0.77747%0.473SS*.Hα-helixtrans-76.3-34.9179.2-166.2-178.2-124.3-152.52.6112.8E27 D28 T34E27-R31 WeakPolarHBondContact O-CB 3.43Å; E27-R31 PolarHBondContact O-N 3.13Å; D28-R31 PolarHBondContact O-N 3.4Å; R31-T34 PolarHBondContact O-OG1 3.39Å
32K40.2Very low40Very low122 Ų12292.8 Ų92.853%0.5348%0.477SS..G310 helixtrans-85.2-2.5-178.8-74.3175.9176.2159.90115D28 T34 S35D28-K32 WeakPolarHBondContact O-CB 3.36Å; D28-K32 PolarHBondContact O-N 2.84Å; D28-K32 WeakPolarHBondContact OD1-CE 3.45Å; D28-K32 IonicContact OD1-NZ 3.13Å; D28-K32 PolarHBondContact OD1-NZ 3.48Å; D28-K32 WeakPolarHBondContact OD2-CE 3.38Å; D28-K32 IonicContact OD2-NZ 2.91Å; D28-K32 PolarHBondContact OD2-NZ 3.39Å; K32-T34 PolarHBondContact O-N 3.17Å; K32-S35 CarbonylContact O-C 3.49Å; K32-S35 PolarHBondContact O-N 2.92Å
33K40.6Very low39.5Very low131 Ų13198.5 Ų98.557%0.5750%0.5SS*.G310 helixtrans-68.1-2.6176.2-156.6171.7-179.7177.20114.1
34T39.4Very low39.1Very low136 Ų13699.3 Ų99.383%0.83451%0.513SS*.G310 helixtrans-90.2-4.3168.547.50000114.1R31 K32R31-T34 PolarHBondContact O-OG1 3.39Å; K32-T34 PolarHBondContact O-N 3.17Å
35S30.9Very low38.6Very low83 Ų8395.8 Ų95.858%0.5850%0.495SS*.SBendtrans-156.896.7-176175.20000113.2K32K32-S35 CarbonylContact O-C 3.49Å; K32-S35 PolarHBondContact O-N 2.92Å
36S29.3Very low38.3Very low109 Ų10998 Ų9876%0.76250%0.503SS*.SBendtrans44.3138.5154.884.90000122.6
37K36.5Very low38.1Very low184 Ų184101.9 Ų101.980%0.852%0.524SS*.  trans81.681.6170.8-63.5-173.5177.8-179.90117.7
38T41.4Very low38Very low104 Ų104100 Ų10064%0.63852%0.517SS*.  trans-73.3-24.4179.132.10000116.2C42T38-C42 PolarHBondContact O-N 2.92Å
39E34.5Very low37.8Very low148 Ų14897.3 Ų97.369%0.69250%0.503SS*.Hα-helixtrans-83.6-36.7-165.3-154.3175.2-170.300114.7C41E39-C41 PolarHBondContact O-N 3.19Å
40L34.1Very low37.5Very low152 Ų15297.1 Ų97.180%0.79651%0.51SS*.Hα-helixtrans-67.6-29.2173.3-111.791.9000112G44L40-G44 PolarHBondContact O-N 2.98Å
41C33.9Very low37.3Very low48 Ų4897.9 Ų97.932%0.32452%0.519SS..Hα-helixtrans-77.5-40.4-174.1-161.20000111.8E39 K43 G44 L45E39-C41 PolarHBondContact O-N 3.19Å; C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 3.43Å; C41-G44 PolarHBondContact O-N 3.42Å; C41-L45 PolarHBondContact O-N 2.68Å
42C33.9Very low37.4Very low43 Ų4389 Ų8929%0.29149%0.486SS..Hα-helixtrans-61.8-39.6171.7-71.10000112.2T38 G44 L45 I46T38-C42 PolarHBondContact O-N 2.92Å; C42-G44 VanDerWaalsContact C-N 3.33Å; C42-G44 PolarHBondContact O-N 3.23Å; C42-L45 PolarHBondContact O-N 3.48Å; C42-I46 WeakPolarHBondContact O-CB 3.28Å; C42-I46 WeakPolarHBondContact O-CD1 3.22Å; C42-I46 WeakPolarHBondContact O-CG1 3.33Å; C42-I46 PolarHBondContact O-N 3.29Å
43K37.2Very low37.5Very low144 Ų14485.6 Ų85.663%0.62647%0.473SS*.Hα-helixtrans-62-39173.9-81.6-178.7176.9174.80112.2C41 N47C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 3.43Å; K43-N47 VanDerWaalsContact O-CB 3.25Å; K43-N47 WeakPolarHBondContact O-CB 3.36Å; K43-N47 PolarHBondContact O-N 3.07Å; K43-N47 PolarHBondContact O-ND2 2.72Å
44G38.9Very low37.6Very low33 Ų3385.5 Ų85.534%0.3448%0.475SS..Hα-helixtrans-64.7-43.317400000113.2L40 C41 C42 N47 N48L40-G44 PolarHBondContact O-N 2.98Å; C41-G44 PolarHBondContact O-N 3.42Å; C42-G44 VanDerWaalsContact C-N 3.33Å; C42-G44 PolarHBondContact O-N 3.23Å; G44-N47 PolarHBondContact O-N 3.03Å; G44-N48 PolarHBondContact O-N 3.46Å
45L36.3Very low37.7Very low35 Ų3580.8 Ų80.818%0.18345%0.446CS..Hα-helixtrans-64.5-46.7176.8-137.9105000111.2Y29 C41 C42 N47 N48 V49 L124Y29-L45 HydrophobicContact CD2-CD1 4.25Å; Y29-L45 HydrophobicContact CG-CD1 4.45Å; C41-L45 PolarHBondContact O-N 2.68Å; C42-L45 PolarHBondContact O-N 3.48Å; L45-N47 VanDerWaalsContact C-N 3.35Å; L45-N47 PolarHBondContact O-N 3.38Å; L45-N48 PolarHBondContact O-N 3.13Å; L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.26Å; L45-V49 WeakPolarHBondContact O-CG2 3.38Å; L45-V49 PolarHBondContact O-N 3.38Å; L45-L124 HydrophobicContact CD2-CD1 4.34Å
46I39.1Very low38.2Very low88 Ų8878.2 Ų78.245%0.45143%0.427SS..Hα-helixtrans-63.8-38.8178.3-67.9165.7000111.4C42 V49 S50C42-I46 WeakPolarHBondContact O-CB 3.28Å; C42-I46 WeakPolarHBondContact O-CD1 3.22Å; C42-I46 WeakPolarHBondContact O-CG1 3.33Å; C42-I46 PolarHBondContact O-N 3.29Å; I46-V49 PolarHBondContact O-N 3.45Å; I46-S50 PolarHBondContact O-N 2.66Å
47N42.1Very low39Very low100 Ų10079.2 Ų79.254%0.53542%0.424SS..Hα-helixtrans-68.9-35.1176.2-77-13.5000112.8K43 G44 L45 V49 S50 V51K43-N47 VanDerWaalsContact O-CB 3.25Å; K43-N47 WeakPolarHBondContact O-CB 3.36Å; K43-N47 PolarHBondContact O-N 3.07Å; K43-N47 PolarHBondContact O-ND2 2.72Å; G44-N47 PolarHBondContact O-N 3.03Å; L45-N47 VanDerWaalsContact C-N 3.35Å; L45-N47 PolarHBondContact O-N 3.38Å; N47-V49 VanDerWaalsContact C-N 3.35Å; N47-S50 PolarHBondContact O-N 2.75Å; N47-S50 PolarHBondContact O-OG 3.32Å; N47-V51 PolarHBondContact O-N 2.66Å
48N40.1Very low39.5Very low60 Ų6073.3 Ų73.332%0.32140%0.396SS..Hα-helixtrans-71.5-35.5173.6-73.5-12.9000111.5C25 G44 L45 S50 V51 E52C25-N48 PolarHBondContact SG-ND2 3.37Å; G44-N48 PolarHBondContact O-N 3.46Å; L45-N48 PolarHBondContact O-N 3.13Å; N48-S50 VanDerWaalsContact C-N 3.3Å; N48-S50 PolarHBondContact O-N 2.82Å; N48-V51 WeakPolarHBondContact O-CB 3.44Å; N48-V51 PolarHBondContact O-N 2.95Å; N48-E52 PolarHBondContact O-N 3.48Å
49V37.8Very low39.7Very low10 Ų1068.7 Ų68.76%0.06137%0.368CS..Hα-helixtrans-72.8-20.8177.1173.90000112.4L45 I46 N47 E52 S121 R125L45-V49 VanDerWaalsContact O-CB 3.29Å; L45-V49 WeakPolarHBondContact O-CB 3.26Å; L45-V49 WeakPolarHBondContact O-CG2 3.38Å; L45-V49 PolarHBondContact O-N 3.38Å; I46-V49 PolarHBondContact O-N 3.45Å; N47-V49 VanDerWaalsContact C-N 3.35Å; V49-E52 WeakPolarHBondContact O-CB 3.23Å; V49-S121 WeakPolarHBondContact CG1-OG 3.36Å; V49-R125 PolarHBondContact O-NH2 2.98Å
50S36Very low40.3Very low56 Ų5665 Ų6539%0.39236%0.357SS..Hα-helixtrans-76.9-32.5170.567.90000112.3I46 N47 N48 E52 N53I46-S50 PolarHBondContact O-N 2.66Å; N47-S50 PolarHBondContact O-N 2.75Å; N47-S50 PolarHBondContact O-OG 3.32Å; N48-S50 VanDerWaalsContact C-N 3.3Å; N48-S50 PolarHBondContact O-N 2.82Å; S50-E52 VanDerWaalsContact C-N 3.26Å; S50-E52 PolarHBondContact O-N 3.42Å; S50-N53 PolarHBondContact O-N 3.21Å
51V40.6Very low41.2Very low64 Ų6461.2 Ų61.239%0.38834%0.34SS..Hα-helixtrans-62.5-34.4169.8177.20000111N47 N48 N53 E54 V55N47-V51 PolarHBondContact O-N 2.66Å; N48-V51 WeakPolarHBondContact O-CB 3.44Å; N48-V51 PolarHBondContact O-N 2.95Å; V51-N53 VanDerWaalsContact C-N 3.32Å; V51-N53 PolarHBondContact O-N 3.32Å; V51-E54 PolarHBondContact O-N 3.29Å; V51-V55 HydrophobicContact CG1-CG2 4.45Å; V51-V55 WeakPolarHBondContact O-CB 3.43Å; V51-V55 WeakPolarHBondContact O-CG2 3.46Å; V51-V55 PolarHBondContact O-N 2.92Å
52E43.5Very low42Very low20 Ų2059.8 Ų59.89%0.09333%0.328CS..Hα-helixtrans-61.5-33.9174.8-70.1176.2161.500113.5L22 N48 V49 S50 V55 V56 L117L22-E52 HydrophobicContact CD1-CG 4.48Å; L22-E52 WeakPolarHBondContact CD1-OE1 3.47Å; L22-E52 WeakPolarHBondContact CD2-OE1 3.23Å; N48-E52 PolarHBondContact O-N 3.48Å; V49-E52 WeakPolarHBondContact O-CB 3.23Å; S50-E52 VanDerWaalsContact C-N 3.26Å; S50-E52 PolarHBondContact O-N 3.42Å; E52-V55 WeakPolarHBondContact O-CB 3.23Å; E52-V55 PolarHBondContact O-N 3.23Å; E52-V56 WeakPolarHBondContact O-CB 3.44Å; E52-V56 WeakPolarHBondContact O-CG2 3.42Å; E52-V56 PolarHBondContact O-N 3.49Å; E52-L117 WeakPolarHBondContact OE1-CD2 3.38Å
53N40.9Very low42.7Very low49 Ų4959.2 Ų59.226%0.26232%0.322SS..Hα-helixtrans-69.7-40.4-178.8-79.3-6.5000112.4S50 V51 V55 V56 D57 H118 R125S50-N53 PolarHBondContact O-N 3.21Å; V51-N53 VanDerWaalsContact C-N 3.32Å; V51-N53 PolarHBondContact O-N 3.32Å; N53-V55 PolarHBondContact O-N 3.04Å; N53-V56 PolarHBondContact O-N 3.43Å; N53-D57 PolarHBondContact O-N 3.25Å; N53-H118 PolarHBondContact OD1-CE1 2.89Å; N53-H118 PolarHBondContact OD1-ND1 3.41Å; N53-R125 PolarHBondContact ND2-NH2 3.44Å; N53-R125 VanDerWaalsContact ND2-NH2 3.13Å
54E43.5Very low43.5Very low130 Ų13054.4 Ų54.461%0.60731%0.307SS*.Hα-helixtrans-61.7-31.5174.1-71.7-173.7163.600111.9V51 W58V51-E54 PolarHBondContact O-N 3.29Å; E54-W58 WeakPolarHBondContact O-CB 3.47Å
55V40.6Very low44.1Very low37 Ų3759 Ų5922%0.22431%0.314CS..Hα-helixtrans-79.4-44.3-175.9165.70000110.1W15 V51 E52 N53 D57 W58 V59W15-V55 HydrophobicContact CE3-CG1 4.33Å; W15-V55 HydrophobicContact CH2-CB 4.34Å; W15-V55 HydrophobicContact CH2-CG1 3.07Å; W15-V55 HydrophobicContact CZ2-CG1 4.38Å; W15-V55 HydrophobicContact CZ3-CG1 3.05Å; V51-V55 HydrophobicContact CG1-CG2 4.45Å; V51-V55 WeakPolarHBondContact O-CB 3.43Å; V51-V55 WeakPolarHBondContact O-CG2 3.46Å; V51-V55 PolarHBondContact O-N 2.92Å; E52-V55 WeakPolarHBondContact O-CB 3.23Å; E52-V55 PolarHBondContact O-N 3.23Å; N53-V55 PolarHBondContact O-N 3.04Å; V55-D57 PolarHBondContact O-N 3.36Å; V55-W58 PolarHBondContact O-N 3.01Å; V55-V59 WeakPolarHBondContact O-CG2 3.4Å; V55-V59 PolarHBondContact O-N 2.96Å
56V41.8Very low44.8Very low29 Ų2958.1 Ų58.118%0.17631%0.309CS..Hα-helixtrans-61.1-39.8176.11700000112.5E52 N53 W58 P60E52-V56 WeakPolarHBondContact O-CB 3.44Å; E52-V56 WeakPolarHBondContact O-CG2 3.42Å; E52-V56 PolarHBondContact O-N 3.49Å; N53-V56 PolarHBondContact O-N 3.43Å; V56-W58 VanDerWaalsContact C-N 3.31Å; V56-W58 PolarHBondContact O-N 3.24Å; V56-P60 WeakPolarHBondContact O-CD 3.13Å
57D45.8Very low45.4Very low130 Ų13061.6 Ų61.670%0.69532%0.317SS*.Hα-helixtrans-71.2-24.9177.9-74.6-20.3000113.3N53 V55N53-D57 PolarHBondContact O-N 3.25Å; V55-D57 PolarHBondContact O-N 3.36Å
58W47.8Very low45.9Very low60 Ų6065.3 Ų65.323%0.22732%0.323CS..Hα-helixtrans-87.4-28.4-176.4-175.483.2000113.4W15 E54 V55 V56 T61 Q62 I527 Y580W15-W58 HydrophobicContact CZ2-CE3 4.44Å; W15-W58 HydrophobicContact CZ2-CZ3 4.49Å; E54-W58 WeakPolarHBondContact O-CB 3.47Å; V55-W58 PolarHBondContact O-N 3.01Å; V56-W58 VanDerWaalsContact C-N 3.31Å; V56-W58 PolarHBondContact O-N 3.24Å; W58-T61 WeakPolarHBondContact O-CB 3.31Å; W58-T61 PolarHBondContact O-N 2.99Å; W58-T61 VanDerWaalsContact O-N 3.12Å; W58-Q62 HydrophobicContact CD2-CG 3.55Å; W58-Q62 HydrophobicContact CE3-CB 4.44Å; W58-Q62 HydrophobicContact CE3-CG 3.54Å; W58-Q62 HydrophobicContact CH2-CB 4.35Å; W58-Q62 HydrophobicContact CH2-CG 3.19Å; W58-Q62 HydrophobicContact CZ2-CG 3.15Å; W58-Q62 VanDerWaalsContact CZ2-NE2 3.28Å; W58-Q62 HydrophobicContact CZ3-CB 4.25Å; W58-Q62 HydrophobicContact CZ3-CG 3.37Å; W58-Q62 VanDerWaalsContact NE1-NE2 3.19Å; W58-Q62 PolarHBondContact O-N 3.47Å; W58-I527 HydrophobicContact CZ2-CD1 4.5Å; W58-I527 HydrophobicContact CZ2-CG2 4.25Å; W58-Y580 HydrophobicContact CH2-CD2 4.33Å; W58-Y580 AromaticContact CH2-CE2 3.32Å; W58-Y580 HydrophobicContact CH2-CE2 3.32Å; W58-Y580 AromaticContact CH2-CZ 3.48Å; W58-Y580 VanDerWaalsContact CH2-CZ 3.48Å; W58-Y580 WeakPolarHBondContact CH2-OH 3.31Å; W58-Y580 AromaticContact CZ2-CE2 3.94Å; W58-Y580 HydrophobicContact CZ2-CE2 3.94Å; W58-Y580 HydrophobicContact CZ3-CE2 4.15Å; W58-Y580 AromaticContact CZ3-CZ 3.91Å
59V44.9Very low46.2Very low6 Ų663.7 Ų63.74%0.03632%0.317CS..Hα-helixtrans-54-49-175.8-175.90000113.6W15 V55 T61 Q62 I63 Q111 L114W15-V59 HydrophobicContact CH2-CB 4.37Å; W15-V59 HydrophobicContact CH2-CG2 3.05Å; W15-V59 HydrophobicContact CZ2-CB 4.1Å; W15-V59 HydrophobicContact CZ2-CG1 4.17Å; W15-V59 HydrophobicContact CZ2-CG2 3.16Å; W15-V59 HydrophobicContact CZ3-CG2 4.06Å; V55-V59 WeakPolarHBondContact O-CG2 3.4Å; V55-V59 PolarHBondContact O-N 2.96Å; V59-T61 PolarHBondContact O-N 3.24Å; V59-Q62 PolarHBondContact O-N 2.9Å; V59-I63 HydrophobicContact CG1-CD1 3.48Å; V59-I63 VanDerWaalsContact CG1-CD1 3.48Å; V59-I63 HydrophobicContact CG1-CG1 4.16Å; V59-I63 WeakPolarHBondContact O-CB 3.44Å; V59-I63 WeakPolarHBondContact O-CG1 3.44Å; V59-I63 PolarHBondContact O-N 3.01Å; V59-Q111 HydrophobicContact CG1-CG 4.2Å; V59-L114 HydrophobicContact CB-CD1 4.37Å; V59-L114 HydrophobicContact CG1-CD1 3.91Å; V59-L114 HydrophobicContact CG2-CD1 3.75Å
60P47.3Very low46.6Very low71 Ų7163.2 Ų63.246%0.46131%0.314SS..Hα-helixtrans-62.1-36-178.5-20.333.9000111.4V56 I63 S64V56-P60 WeakPolarHBondContact O-CD 3.13Å; P60-I63 PolarHBondContact O-N 3.24Å; P60-S64 WeakPolarHBondContact O-CB 3.27Å; P60-S64 PolarHBondContact O-N 3.44Å
61T52.5Low47.1Very low72 Ų7263.7 Ų63.744%0.44231%0.312SS..Hα-helixtrans-66.9-40.9-179.2-410000111.5W58 V59 S64 R65W58-T61 WeakPolarHBondContact O-CB 3.31Å; W58-T61 PolarHBondContact O-N 2.99Å; W58-T61 VanDerWaalsContact O-N 3.12Å; V59-T61 PolarHBondContact O-N 3.24Å; T61-S64 PolarHBondContact O-OG 3.22Å; T61-R65 PolarHBondContact O-N 3.4Å
62Q51.5Low47.1Very low18 Ų1865.8 Ų65.88%0.08432%0.316CS..Hα-helixtrans-75.9-38.5174.7-66.1-47.7-5200113.4W58 V59 S64 R65 I66W58-Q62 HydrophobicContact CD2-CG 3.55Å; W58-Q62 HydrophobicContact CE3-CB 4.44Å; W58-Q62 HydrophobicContact CE3-CG 3.54Å; W58-Q62 HydrophobicContact CH2-CB 4.35Å; W58-Q62 HydrophobicContact CH2-CG 3.19Å; W58-Q62 HydrophobicContact CZ2-CG 3.15Å; W58-Q62 VanDerWaalsContact CZ2-NE2 3.28Å; W58-Q62 HydrophobicContact CZ3-CB 4.25Å; W58-Q62 HydrophobicContact CZ3-CG 3.37Å; W58-Q62 VanDerWaalsContact NE1-NE2 3.19Å; W58-Q62 PolarHBondContact O-N 3.47Å; V59-Q62 PolarHBondContact O-N 2.9Å; Q62-S64 PolarHBondContact O-N 3.14Å; Q62-R65 CarbonylContact O-C 3.53Å; Q62-R65 WeakPolarHBondContact O-CA 3.48Å; Q62-R65 WeakPolarHBondContact O-CB 3.29Å; Q62-R65 PolarHBondContact O-N 3.07Å; Q62-I66 HydrophobicContact CB-CD1 4.42Å; Q62-I66 WeakPolarHBondContact O-CD1 3.49Å; Q62-I66 WeakPolarHBondContact O-CG1 3.44Å; Q62-I66 PolarHBondContact O-N 2.87Å
63I49.4Very low47.2Very low31 Ų3166.4 Ų66.416%0.15932%0.322CS..Hα-helixtrans-60.1-34.1175.5-72.9178.1000110.3V59 P60 I66 R67 I107 Q111V59-I63 HydrophobicContact CG1-CD1 3.48Å; V59-I63 VanDerWaalsContact CG1-CD1 3.48Å; V59-I63 HydrophobicContact CG1-CG1 4.16Å; V59-I63 WeakPolarHBondContact O-CB 3.44Å; V59-I63 WeakPolarHBondContact O-CG1 3.44Å; V59-I63 PolarHBondContact O-N 3.01Å; P60-I63 PolarHBondContact O-N 3.24Å; I63-I66 HydrophobicContact CG1-CD1 4.44Å; I63-I66 PolarHBondContact O-N 3.3Å; I63-R67 VanDerWaalsContact O-CB 3.28Å; I63-R67 WeakPolarHBondContact O-CB 3.26Å; I63-R67 PolarHBondContact O-N 3.44Å; I63-I107 HydrophobicContact CD1-CG2 3.74Å; I63-I107 HydrophobicContact CG1-CG2 3.82Å; I63-I107 HydrophobicContact CG2-CG2 4.39Å; I63-Q111 HydrophobicContact CD1-CG 3.24Å; I63-Q111 VanDerWaalsContact CD1-NE2 3.33Å
64S52.1Low47.3Very low44 Ų4470.5 Ų70.531%0.30834%0.34SS..Hα-helixtrans-65.3-34.8170.686.10000113.8P60 T61 Q62 R68P60-S64 WeakPolarHBondContact O-CB 3.27Å; P60-S64 PolarHBondContact O-N 3.44Å; T61-S64 PolarHBondContact O-OG 3.22Å; Q62-S64 PolarHBondContact O-N 3.14Å; S64-R68 WeakPolarHBondContact O-CG 3.37Å; S64-R68 PolarHBondContact O-N 3Å; S64-R68 VanDerWaalsContact O-N 3.13Å
65R52.6Low47.1Very low129 Ų12974.4 Ų74.449%0.48735%0.349SS..Hα-helixtrans-72.1-42175.5-73178.4177.4-177.9-2111.8T61 Q62 R67 R68 S69T61-R65 PolarHBondContact O-N 3.4Å; Q62-R65 CarbonylContact O-C 3.53Å; Q62-R65 WeakPolarHBondContact O-CA 3.48Å; Q62-R65 WeakPolarHBondContact O-CB 3.29Å; Q62-R65 PolarHBondContact O-N 3.07Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R65-R68 WeakPolarHBondContact O-CB 3.44Å; R65-R68 PolarHBondContact O-N 3.48Å; R65-R68 VanDerWaalsContact O-N 3.16Å; R65-S69 PolarHBondContact O-N 3.49Å
66I50.7Low47Very low16 Ų1677.2 Ų77.28%0.08236%0.362CS..Hα-helixtrans-59.8-48.1173.5-63.9161.6000108.8S11 L14 Q62 I63 R68 S69 F70 I107S11-I66 VanDerWaalsContact CB-CG1 3.44Å; L14-I66 HydrophobicContact CD1-CD1 4.23Å; Q62-I66 HydrophobicContact CB-CD1 4.42Å; Q62-I66 WeakPolarHBondContact O-CD1 3.49Å; Q62-I66 WeakPolarHBondContact O-CG1 3.44Å; Q62-I66 PolarHBondContact O-N 2.87Å; I63-I66 HydrophobicContact CG1-CD1 4.44Å; I63-I66 PolarHBondContact O-N 3.3Å; I66-R68 VanDerWaalsContact C-N 3.27Å; I66-R68 PolarHBondContact O-N 2.85Å; I66-S69 PolarHBondContact O-N 3.33Å; I66-S69 PolarHBondContact O-OG 3.42Å; I66-F70 HydrophobicContact CG2-CD2 3.59Å; I66-F70 HydrophobicContact CG2-CE2 3.6Å; I66-F70 VanDerWaalsContact O-CD2 3.26Å; I66-F70 WeakPolarHBondContact O-CD2 3.24Å; I66-F70 PolarHBondContact O-N 2.96Å; I66-I107 HydrophobicContact CG2-CD1 4.36Å
67R50.8Low46.5Very low161 Ų16181.3 Ų81.361%0.60839%0.392SS*.Hα-helixtrans-54.8-42.9174.5-174.6176.1177.9174.32112.4I63 R65 S69 F70 D71I63-R67 VanDerWaalsContact O-CB 3.28Å; I63-R67 WeakPolarHBondContact O-CB 3.26Å; I63-R67 PolarHBondContact O-N 3.44Å; R65-R67 VanDerWaalsContact C-N 3.34Å; R67-S69 PolarHBondContact O-N 3.39Å; R67-F70 PolarHBondContact O-N 3.4Å; R67-D71 IonicContact NE-OD2 3.05Å; R67-D71 WeakPolarHBondContact O-CB 3.44Å; R67-D71 VanDerWaalsContact O-CG 3.31Å; R67-D71 PolarHBondContact O-N 3.16Å
68R52.6Low46Very low179 Ų17978.9 Ų78.968%0.67538%0.382SS*.Hα-helixtrans-63.3-39.7176-72.6-178.9-140.6-1752.5112.9S64 R65 I66 F70 D71 F72S64-R68 WeakPolarHBondContact O-CG 3.37Å; S64-R68 PolarHBondContact O-N 3Å; S64-R68 VanDerWaalsContact O-N 3.13Å; R65-R68 WeakPolarHBondContact O-CB 3.44Å; R65-R68 PolarHBondContact O-N 3.48Å; R65-R68 VanDerWaalsContact O-N 3.16Å; I66-R68 VanDerWaalsContact C-N 3.27Å; I66-R68 PolarHBondContact O-N 2.85Å; R68-F70 VanDerWaalsContact C-N 3.33Å; R68-D71 PolarHBondContact O-N 3.36Å; R68-F72 WeakPolarHBondContact O-CB 3.07Å; R68-F72 PolarHBondContact O-N 3.4Å
69S48.2Very low45.1Very low26 Ų2685.7 Ų85.718%0.18241%0.413CS..Hα-helixtrans-69-34.5177.664.40000112E7 R65 I66 R67E7-S69 WeakPolarHBondContact OE2-CB 3.26Å; R65-S69 PolarHBondContact O-N 3.49Å; I66-S69 PolarHBondContact O-N 3.33Å; I66-S69 PolarHBondContact O-OG 3.42Å; R67-S69 PolarHBondContact O-N 3.39Å
70F44.5Very low44.4Very low0 Ų091.1 Ų91.10%045%0.446CS..Hα-helixtrans-70.4-42.7173.4-87.3-89.3000112.5F8 I66 R67 R68 S73 R100 L104F8-F70 HydrophobicContact CD2-CD1 4.39Å; F8-F70 AromaticContact CD2-CE1 3.95Å; F8-F70 HydrophobicContact CD2-CE1 3.95Å; F8-F70 HydrophobicContact CD2-CE2 4.48Å; F8-F70 AromaticContact CD2-CZ 3.99Å; F8-F70 HydrophobicContact CD2-CZ 3.99Å; F8-F70 HydrophobicContact CE1-CE1 4.11Å; F8-F70 HydrophobicContact CE1-CZ 4.27Å; F8-F70 AromaticContact CE2-CD1 3.53Å; F8-F70 HydrophobicContact CE2-CD1 3.53Å; F8-F70 AromaticContact CE2-CE1 3.12Å; F8-F70 HydrophobicContact CE2-CE1 3.12Å; F8-F70 HydrophobicContact CE2-CE2 4.38Å; F8-F70 HydrophobicContact CE2-CG 4.34Å; F8-F70 AromaticContact CE2-CZ 3.6Å; F8-F70 HydrophobicContact CE2-CZ 3.6Å; F8-F70 HydrophobicContact CG-CZ 4.5Å; F8-F70 HydrophobicContact CZ-CD1 4.01Å; F8-F70 AromaticContact CZ-CE1 3.23Å; F8-F70 HydrophobicContact CZ-CE1 3.23Å; F8-F70 AromaticContact CZ-CZ 3.78Å; F8-F70 HydrophobicContact CZ-CZ 3.78Å; I66-F70 HydrophobicContact CG2-CD2 3.59Å; I66-F70 HydrophobicContact CG2-CE2 3.6Å; I66-F70 VanDerWaalsContact O-CD2 3.26Å; I66-F70 WeakPolarHBondContact O-CD2 3.24Å; I66-F70 PolarHBondContact O-N 2.96Å; R67-F70 PolarHBondContact O-N 3.4Å; R68-F70 VanDerWaalsContact C-N 3.33Å; F70-S73 PolarHBondContact O-N 3Å; F70-S73 PolarHBondContact O-OG 2.77Å; F70-R100 VanDerWaalsContact C-NH1 3.29Å; F70-R100 HydrophobicContact CD1-CG 3.39Å; F70-R100 HydrophobicContact CE1-CG 3.59Å; F70-R100 PolarHBondContact O-NH1 2.95Å; F70-L104 HydrophobicContact CB-CD1 4.23Å; F70-L104 HydrophobicContact CB-CD2 4.19Å; F70-L104 HydrophobicContact CD1-CD1 4.28Å; F70-L104 HydrophobicContact CD1-CD2 4.19Å; F70-L104 HydrophobicContact CD1-CG 4.24Å; F70-L104 HydrophobicContact CD2-CD2 3.86Å; F70-L104 HydrophobicContact CE2-CD2 4.25Å; F70-L104 HydrophobicContact CG-CD1 4.34Å; F70-L104 HydrophobicContact CG-CD2 3.83Å; F70-L104 HydrophobicContact CG-CG 4.33Å
71D46.9Very low43.5Very low66 Ų6694.4 Ų94.435%0.35347%0.465SS..Hα-helixtrans-73.1-25.6179.1-71.2-15.3000112.7R67 R68 S73 E74R67-D71 IonicContact NE-OD2 3.05Å; R67-D71 WeakPolarHBondContact O-CB 3.44Å; R67-D71 VanDerWaalsContact O-CG 3.31Å; R67-D71 PolarHBondContact O-N 3.16Å; R68-D71 PolarHBondContact O-N 3.36Å; D71-S73 PolarHBondContact O-N 3.41Å; D71-E74 PolarHBondContact O-N 3.21Å
72F41.6Very low42.6Very low108 Ų108101.4 Ų101.447%0.47448%0.483SS..Hα-helixtrans-67.3-23.2176.7-158-98.5000113R68 E74 R75R68-F72 WeakPolarHBondContact O-CB 3.07Å; R68-F72 PolarHBondContact O-N 3.4Å; F72-E74 PolarHBondContact O-N 3.02Å; F72-R75 PolarHBondContact O-N 3.32Å
73S45.4Very low41.9Very low32 Ų32108 Ų10822%0.22452%0.52CS..G310 helixtrans-63-25.6176.171.20000113.4F70 D71 R75 I76F70-S73 PolarHBondContact O-N 3Å; F70-S73 PolarHBondContact O-OG 2.77Å; D71-S73 PolarHBondContact O-N 3.41Å; S73-R75 PolarHBondContact O-N 3.43Å; S73-I76 PolarHBondContact O-N 3.04Å
74E42.9Very low41.2Very low136 Ų136110.7 Ų110.764%0.63656%0.555SS**G310 helixtrans-66.3-17176.9-108.5177.7-17500113.4D71 F72D71-E74 PolarHBondContact O-N 3.21Å; F72-E74 PolarHBondContact O-N 3.02Å
75R39.1Very low40.2Very low212 Ų212116.2 Ų116.280%0.858%0.576SS**G310 helixtrans-96.6-1.9179.5-69.3-173.4-155.6-150.53.2114.8F72 S73 S77F72-R75 PolarHBondContact O-N 3.32Å; S73-R75 PolarHBondContact O-N 3.43Å; R75-S77 VanDerWaalsContact C-N 3.33Å; R75-S77 PolarHBondContact O-N 3.22Å; R75-S77 VanDerWaalsContact O-N 3.16Å
76I38.2Very low39.2Very low95 Ų95117.9 Ų117.949%0.48759%0.592SS.*  trans-93.766.9-177.7-52.5-179.4000109.7S73 T78S73-I76 PolarHBondContact O-N 3.04Å; I76-T78 HydrophobicContact CG2-CG2 3.94Å
77S32.4Very low38.3Very low115 Ų115122.7 Ų122.780%0.80462%0.623SS**  trans-85.4101154.6-179.80000107.1R75 K79R75-S77 VanDerWaalsContact C-N 3.33Å; R75-S77 PolarHBondContact O-N 3.22Å; R75-S77 VanDerWaalsContact O-N 3.16Å; S77-K79 PolarHBondContact O-N 3.01Å
78T35Very low37.4Very low79 Ų79121.3 Ų121.349%0.48563%0.627SS.*  trans-75.6108.7179.936.40000109.9I76 T80I76-T78 HydrophobicContact CG2-CG2 3.94Å; T78-T80 PolarHBondContact O-N 3.47Å
79K27.8Very low36.8Very low204 Ų204120.8 Ų120.889%0.88763%0.633SS**  trans-62.499.4155.8-82-176.7176.1179.70107.7S77S77-K79 PolarHBondContact O-N 3.01Å
80T31.8Very low37Very low119 Ų119126.3 Ų126.373%0.7366%0.66SS**  trans-9697.1166.9-30.40000107.4T78 R82T78-T80 PolarHBondContact O-N 3.47Å; T80-R82 PolarHBondContact O-N 3.08Å
81T28.4Very low37.6Very low140 Ų140136.8 Ų136.886%0.85970%0.699SS**  trans-83.1101.8169.915.30000109
82R33.6Very low38.7Very low219 Ų219137.2 Ų137.283%0.82670%0.701SS**SBendtrans-128.2111.8154.2-115.6-177.8179-177-0.7107.1T80 G84T80-R82 PolarHBondContact O-N 3.08Å; R82-G84 PolarHBondContact O-N 3.3Å
83N36.5Very low40.3Very low158 Ų158133 Ų13385%0.84569%0.688SS**THydrogen-bonded Turntrans47.856163.7-66.2-0.9000118.2Q85N83-Q85 PolarHBondContact O-N 3.48Å
84G34.1Very low42.1Very low87 Ų87138.3 Ų138.390%0.89771%0.712SS**THydrogen-bonded Turntrans65.96.3155.100000118R82R82-G84 PolarHBondContact O-N 3.3Å
85Q31.9Very low44Very low160 Ų160134.6 Ų134.675%0.74870%0.702SS**  trans-108.9112174-75.4-179.4-24.900109.8N83 T87N83-Q85 PolarHBondContact O-N 3.48Å; Q85-T87 PolarHBondContact O-N 2.92Å
86I31.4Very low46.2Very low164 Ų164126.2 Ų126.284%0.84167%0.671SS**  trans-72.892.2170.7-60172.1000107.2
87T32.1Very low48.4Very low117 Ų117123.2 Ų123.272%0.71866%0.656SS**  trans-82.9114.1164.753.60000108.4Q85 E89Q85-T87 PolarHBondContact O-N 2.92Å; T87-E89 VanDerWaalsContact C-N 3.28Å; T87-E89 PolarHBondContact O-N 3.35Å
88N31.7Very low51Low131 Ų131119.9 Ų119.970%0.70163%0.63SS**  trans-81.156.4-168.3-149.813.6000112.1
89E40.2Very low53.4Low169 Ų169116.5 Ų116.579%0.7961%0.609SS**  trans-142.785.7-172.7-70.3-172.9164.200113.1T87T87-E89 VanDerWaalsContact C-N 3.28Å; T87-E89 PolarHBondContact O-N 3.35Å
90N51.9Low56Low142 Ų142107.1 Ų107.176%0.75957%0.568SS**  trans-170.845.1153.6-96.7-18.2000110
91R56.5Low58.7Low219 Ų219108.2 Ų108.283%0.82656%0.559SS**PPolyproline II helixtrans-82.6122.4168.8-73.9-173.2179.8-171.6-0108.1G93R91-G93 PolarHBondContact O-N 3.33Å
92I70.2Confident61.5Low75 Ų75105.2 Ų105.239%0.38553%0.532SS..PPolyproline II helixtrans-53.2125168.8-61.9174000107.6H96 E97I92-H96 HydrophobicContact CG2-CB 3.66Å; I92-E97 HydrophobicContact CG2-CG 3.98Å
93G76Confident63.8Low20 Ų2094.8 Ų94.821%0.20649%0.493CS..PPolyproline II helixtrans-68.2151.5-17500000112R91 S95 H96 E97 D169R91-G93 PolarHBondContact O-N 3.33Å; G93-S95 PolarHBondContact O-N 3.07Å; G93-H96 WeakPolarHBondContact O-CA 3.25Å; G93-H96 VanDerWaalsContact O-CB 3.27Å; G93-H96 WeakPolarHBondContact O-CB 3.29Å; G93-H96 PolarHBondContact O-N 3.44Å; G93-E97 PolarHBondContact O-N 2.94Å; G93-E97 VanDerWaalsContact O-N 3.13Å; G93-D169 WeakPolarHBondContact CA-OD1 3.39Å; G93-D169 PolarHBondContact N-OD1 3.49Å; G93-D169 VanDerWaalsContact N-OD1 3.15Å; G93-D169 PolarHBondContact N-OD2 2.96Å
94I83.5Confident66Low143 Ų14389.1 Ų89.173%0.73346%0.462SS*.Hα-helixtrans-55.6-37.9174.9-63.6170.9000110.8H96 E97 T98I94-H96 VanDerWaalsContact C-N 3.3Å; I94-H96 PolarHBondContact O-N 2.87Å; I94-E97 PolarHBondContact O-N 2.86Å; I94-T98 WeakPolarHBondContact O-CB 3.46Å; I94-T98 PolarHBondContact O-N 2.96Å; I94-T98 PolarHBondContact O-OG1 3.49Å
95S82.9Confident68.5Low59 Ų5990 Ų9041%0.41345%0.447SS..Hα-helixtrans-58.4-41.7175.1-64.30000112.2G93 T98 L99G93-S95 PolarHBondContact O-N 3.07Å; S95-T98 PolarHBondContact O-N 3.48Å; S95-L99 WeakPolarHBondContact O-CG 3.42Å; S95-L99 PolarHBondContact O-N 3.38Å
96H85.3Confident71Confident35 Ų3585.4 Ų85.416%0.16242%0.423CS..Hα-helixtrans-63.7-55.1177.8-173129.4000110.5I92 G93 I94 T98 L99 R100 L165 L168 D169I92-H96 HydrophobicContact CG2-CB 3.66Å; G93-H96 WeakPolarHBondContact O-CA 3.25Å; G93-H96 VanDerWaalsContact O-CB 3.27Å; G93-H96 WeakPolarHBondContact O-CB 3.29Å; G93-H96 PolarHBondContact O-N 3.44Å; I94-H96 VanDerWaalsContact C-N 3.3Å; I94-H96 PolarHBondContact O-N 2.87Å; H96-T98 PolarHBondContact O-N 2.87Å; H96-L99 PolarHBondContact O-N 3.19Å; H96-L99 VanDerWaalsContact O-N 3.13Å; H96-R100 VanDerWaalsContact O-CB 3.29Å; H96-R100 WeakPolarHBondContact O-CB 3.26Å; H96-R100 PolarHBondContact O-N 3.31Å; H96-L165 WeakPolarHBondContact O-CD2 3.44Å; H96-L168 HydrophobicContact CB-CD1 4.21Å; H96-D169 WeakPolarHBondContact CB-OD2 3.22Å; H96-D169 IonicContact CE1-OD2 3.95Å; H96-D169 IonicContact CG-OD2 3.74Å; H96-D169 VanDerWaalsContact CG-OD2 3.25Å; H96-D169 IonicContact ND1-OD2 3.76Å; H96-D169 PolarHBondContact ND1-OD2 3.32Å
97E83.2Confident73Confident33 Ų3378 Ų7815%0.15438%0.384CS..Hα-helixtrans-58.9-37179.7-78.8-54.4115.700112.4I92 G93 I94 R100 R101I92-E97 HydrophobicContact CG2-CG 3.98Å; G93-E97 PolarHBondContact O-N 2.94Å; G93-E97 VanDerWaalsContact O-N 3.13Å; I94-E97 PolarHBondContact O-N 2.86Å; E97-R100 VanDerWaalsContact CD-NE 3.34Å; E97-R100 PolarHBondContact O-N 2.98Å; E97-R100 IonicContact OE1-CZ 3.34Å; E97-R100 IonicContact OE1-NE 2.87Å; E97-R100 PolarHBondContact OE1-NE 3.17Å; E97-R100 IonicContact OE2-CZ 2.6Å; E97-R100 VanDerWaalsContact OE2-CZ 3.24Å; E97-R100 IonicContact OE2-NE 3.25Å; E97-R100 PolarHBondContact OE2-NE 3.01Å; E97-R100 IonicContact OE2-NH2 3.04Å; E97-R100 PolarHBondContact OE2-NH2 3.48Å; E97-R101 WeakPolarHBondContact O-CB 3.38Å; E97-R101 VanDerWaalsContact O-CG 3.26Å; E97-R101 WeakPolarHBondContact O-CG 3.35Å; E97-R101 PolarHBondContact O-N 3.26Å
98T86.2Confident75.2Confident45 Ų4577.1 Ų77.128%0.27637%0.372SS..Hα-helixtrans-68.9-42.1178.3-45.70000111.8I94 S95 H96 R102 R389I94-T98 WeakPolarHBondContact O-CB 3.46Å; I94-T98 PolarHBondContact O-N 2.96Å; I94-T98 PolarHBondContact O-OG1 3.49Å; S95-T98 PolarHBondContact O-N 3.48Å; H96-T98 PolarHBondContact O-N 2.87Å; T98-R102 WeakPolarHBondContact O-CG 3.34Å; T98-R102 PolarHBondContact O-N 2.99Å; T98-R389 VanDerWaalsContact CG2-CZ 3.48Å
99L85.7Confident77.7Confident8 Ų875.2 Ų75.24%0.04236%0.359CS..Hα-helixtrans-68.3-38.2175.6-73-167.2000111.8S95 H96 R101 R102 A103 I161 K164 L165 L168S95-L99 WeakPolarHBondContact O-CG 3.42Å; S95-L99 PolarHBondContact O-N 3.38Å; H96-L99 PolarHBondContact O-N 3.19Å; H96-L99 VanDerWaalsContact O-N 3.13Å; L99-R101 PolarHBondContact O-N 3.46Å; L99-R102 PolarHBondContact O-N 3.33Å; L99-A103 PolarHBondContact O-N 3.09Å; L99-I161 HydrophobicContact CB-CG2 4.11Å; L99-I161 VanDerWaalsContact O-CG2 3.31Å; L99-I161 WeakPolarHBondContact O-CG2 3.5Å; L99-K164 HydrophobicContact CD1-CB 3.71Å; L99-K164 HydrophobicContact CD1-CG 3.54Å; L99-L165 HydrophobicContact CB-CD1 4.31Å; L99-L165 HydrophobicContact CB-CD2 3.67Å; L99-L165 HydrophobicContact CB-CG 3.76Å; L99-L165 HydrophobicContact CD1-CG 4.43Å; L99-L168 HydrophobicContact CD1-CD1 3.69Å; L99-L168 HydrophobicContact CG-CD1 4.32Å
100R83.6Confident79.3Confident6 Ų668.1 Ų68.12%0.02333%0.327CS..Hα-helixtrans-56.4-49.6174.3-169.9-177.575.389-0.6110.8F8 F70 H96 E97 A103 L104 L165F8-R100 HydrophobicContact CZ-CG 4.26Å; F70-R100 VanDerWaalsContact C-NH1 3.29Å; F70-R100 HydrophobicContact CD1-CG 3.39Å; F70-R100 HydrophobicContact CE1-CG 3.59Å; F70-R100 PolarHBondContact O-NH1 2.95Å; H96-R100 VanDerWaalsContact O-CB 3.29Å; H96-R100 WeakPolarHBondContact O-CB 3.26Å; H96-R100 PolarHBondContact O-N 3.31Å; E97-R100 VanDerWaalsContact CD-NE 3.34Å; E97-R100 PolarHBondContact O-N 2.98Å; E97-R100 IonicContact OE1-CZ 3.34Å; E97-R100 IonicContact OE1-NE 2.87Å; E97-R100 PolarHBondContact OE1-NE 3.17Å; E97-R100 IonicContact OE2-CZ 2.6Å; E97-R100 VanDerWaalsContact OE2-CZ 3.24Å; E97-R100 IonicContact OE2-NE 3.25Å; E97-R100 PolarHBondContact OE2-NE 3.01Å; E97-R100 IonicContact OE2-NH2 3.04Å; E97-R100 PolarHBondContact OE2-NH2 3.48Å; R100-A103 WeakPolarHBondContact O-CB 3.5Å; R100-A103 PolarHBondContact O-N 3.41Å; R100-L104 WeakPolarHBondContact O-CG 3.39Å; R100-L104 PolarHBondContact O-N 2.82Å; R100-L104 VanDerWaalsContact O-N 3.09Å; R100-L165 HydrophobicContact CB-CD2 4.36Å
101R87.2Confident80.2Confident143 Ų14363 Ų6354%0.5430%0.299SS..Hα-helixtrans-63.7-39.3175.6-70.6174.2-174.3-167.3-0.3112.7E97 L99 L104 N105E97-R101 WeakPolarHBondContact O-CB 3.38Å; E97-R101 VanDerWaalsContact O-CG 3.26Å; E97-R101 WeakPolarHBondContact O-CG 3.35Å; E97-R101 PolarHBondContact O-N 3.26Å; L99-R101 PolarHBondContact O-N 3.46Å; R101-L104 PolarHBondContact O-N 3.15Å; R101-N105 PolarHBondContact O-N 3.06Å
102R87.2Confident81.3Confident76 Ų7655.5 Ų55.529%0.28728%0.275SS..Hα-helixtrans-62.5-43174.1-74.9179.4-179.2-171.9-5.1111.9T98 L99 L104 N105 Y106 I161T98-R102 WeakPolarHBondContact O-CG 3.34Å; T98-R102 PolarHBondContact O-N 2.99Å; L99-R102 PolarHBondContact O-N 3.33Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 3.13Å; R102-N105 PolarHBondContact O-N 3.24Å; R102-Y106 VanDerWaalsContact O-CD2 3.23Å; R102-Y106 WeakPolarHBondContact O-CD2 3.31Å; R102-Y106 PolarHBondContact O-N 3.44Å; R102-I161 HydrophobicContact CB-CD1 3.93Å
103A83.7Confident81.6Confident0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-58.5-45.9175.300000111.2L99 R100 N105 Y106 I107 L158 I161 L165L99-A103 PolarHBondContact O-N 3.09Å; R100-A103 WeakPolarHBondContact O-CB 3.5Å; R100-A103 PolarHBondContact O-N 3.41Å; A103-N105 VanDerWaalsContact C-N 3.32Å; A103-N105 PolarHBondContact O-N 3Å; A103-Y106 PolarHBondContact O-N 2.8Å; A103-I107 WeakPolarHBondContact O-CG1 3.37Å; A103-I107 PolarHBondContact O-N 3.36Å; A103-L158 HydrophobicContact CB-CD1 3.83Å; A103-I161 HydrophobicContact CB-CG2 3.86Å; A103-L165 HydrophobicContact CB-CD1 4.46Å
104L81.8Confident81.3Confident40 Ų4052 Ų5221%0.20925%0.253CS..Hα-helixtrans-59.8-40.3175.1-69.9172.2000112.5F70 R100 R101 R102 I107 H108F70-L104 HydrophobicContact CB-CD1 4.23Å; F70-L104 HydrophobicContact CB-CD2 4.19Å; F70-L104 HydrophobicContact CD1-CD1 4.28Å; F70-L104 HydrophobicContact CD1-CD2 4.19Å; F70-L104 HydrophobicContact CD1-CG 4.24Å; F70-L104 HydrophobicContact CD2-CD2 3.86Å; F70-L104 HydrophobicContact CE2-CD2 4.25Å; F70-L104 HydrophobicContact CG-CD1 4.34Å; F70-L104 HydrophobicContact CG-CD2 3.83Å; F70-L104 HydrophobicContact CG-CG 4.33Å; R100-L104 WeakPolarHBondContact O-CG 3.39Å; R100-L104 PolarHBondContact O-N 2.82Å; R100-L104 VanDerWaalsContact O-N 3.09Å; R101-L104 PolarHBondContact O-N 3.15Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 3.13Å; L104-I107 PolarHBondContact O-N 2.94Å; L104-H108 PolarHBondContact O-N 3.24Å
105N86.1Confident81Confident106 Ų10649.6 Ų49.657%0.56724%0.242SC*.Hα-helixtrans-64.3-43.2175.7-71.3-7.8000112R101 R102 A103 I107 H108 E109R101-N105 PolarHBondContact O-N 3.06Å; R102-N105 PolarHBondContact O-N 3.24Å; A103-N105 VanDerWaalsContact C-N 3.32Å; A103-N105 PolarHBondContact O-N 3Å; N105-I107 VanDerWaalsContact C-N 3.32Å; N105-I107 PolarHBondContact O-N 3.46Å; N105-H108 CarbonylContact O-C 3.58Å; N105-H108 WeakPolarHBondContact O-CA 3.39Å; N105-H108 VanDerWaalsContact O-CB 3.31Å; N105-H108 WeakPolarHBondContact O-CB 3.45Å; N105-H108 PolarHBondContact O-N 2.87Å; N105-E109 PolarHBondContact O-N 2.86Å
106Y84Confident80.6Confident62 Ų6251 Ų5124%0.24324%0.244CC..Hα-helixtrans-65.6-34.2175.8-81.7-69.5000112.9R102 A103 H108 E109 T110 I154 H157 I161R102-Y106 VanDerWaalsContact O-CD2 3.23Å; R102-Y106 WeakPolarHBondContact O-CD2 3.31Å; R102-Y106 PolarHBondContact O-N 3.44Å; A103-Y106 PolarHBondContact O-N 2.8Å; Y106-H108 VanDerWaalsContact C-N 3.28Å; Y106-H108 PolarHBondContact O-N 3.13Å; Y106-E109 PolarHBondContact O-N 2.93Å; Y106-T110 PolarHBondContact O-N 2.95Å; Y106-T110 PolarHBondContact O-OG1 3.42Å; Y106-I154 HydrophobicContact CD1-CG1 4.43Å; Y106-I154 HydrophobicContact CD1-CG2 4.35Å; Y106-H157 HydrophobicContact CD1-CB 4.3Å; Y106-H157 HydrophobicContact CD2-CB 4.47Å; Y106-H157 HydrophobicContact CE1-CB 3.75Å; Y106-H157 HydrophobicContact CE2-CB 3.98Å; Y106-H157 AromaticContact CZ-CD2 3.91Å; Y106-H157 AromaticContact CZ-CG 3.81Å; Y106-H157 PolarHBondContact OH-CD2 3.02Å; Y106-I161 HydrophobicContact CD2-CD1 3.52Å; Y106-I161 HydrophobicContact CE2-CD1 3.42Å; Y106-I161 VanDerWaalsContact CE2-CD1 3.42Å
107I74.6Confident80Confident8 Ų850 Ų504%0.04124%0.24CC..Hα-helixtrans-62.5-39.3170.4-67.3166.5000110.2V12 I63 I66 A103 L104 N105 T110 Q111 L158V12-I107 HydrophobicContact CG2-CD1 3.83Å; V12-I107 HydrophobicContact CG2-CG1 4.08Å; I63-I107 HydrophobicContact CD1-CG2 3.74Å; I63-I107 HydrophobicContact CG1-CG2 3.82Å; I63-I107 HydrophobicContact CG2-CG2 4.39Å; I66-I107 HydrophobicContact CG2-CD1 4.36Å; A103-I107 WeakPolarHBondContact O-CG1 3.37Å; A103-I107 PolarHBondContact O-N 3.36Å; L104-I107 PolarHBondContact O-N 2.94Å; N105-I107 VanDerWaalsContact C-N 3.32Å; N105-I107 PolarHBondContact O-N 3.46Å; I107-T110 VanDerWaalsContact O-CB 3.29Å; I107-T110 WeakPolarHBondContact O-CB 3.45Å; I107-T110 PolarHBondContact O-N 3.12Å; I107-Q111 PolarHBondContact O-N 3.02Å; I107-L158 HydrophobicContact CG1-CD1 4.41Å; I107-L158 HydrophobicContact CG1-CD2 4.24Å
108H78.3Confident79.5Confident99 Ų9951.8 Ų51.846%0.45825%0.248SC..Hα-helixtrans-65.9-43174.2-17257.4000112.2L104 N105 Y106 T110 Q111 N112L104-H108 PolarHBondContact O-N 3.24Å; N105-H108 CarbonylContact O-C 3.58Å; N105-H108 WeakPolarHBondContact O-CA 3.39Å; N105-H108 VanDerWaalsContact O-CB 3.31Å; N105-H108 WeakPolarHBondContact O-CB 3.45Å; N105-H108 PolarHBondContact O-N 2.87Å; Y106-H108 VanDerWaalsContact C-N 3.28Å; Y106-H108 PolarHBondContact O-N 3.13Å; H108-T110 PolarHBondContact O-N 3.05Å; H108-Q111 PolarHBondContact ND1-OE1 2.99Å; H108-Q111 WeakPolarHBondContact O-CA 3.37Å; H108-Q111 VanDerWaalsContact O-CB 3.23Å; H108-Q111 WeakPolarHBondContact O-CB 3.32Å; H108-Q111 PolarHBondContact O-N 2.76Å; H108-N112 PolarHBondContact O-N 2.86Å
109E82.9Confident79Confident92 Ų9252.5 Ų52.543%0.4326%0.255SS..Hα-helixtrans-60.3-32.3174.1-67.5-55.6157.300112.4N105 Y106 Q111 N112 T113 I154N105-E109 PolarHBondContact O-N 2.86Å; Y106-E109 PolarHBondContact O-N 2.93Å; E109-Q111 PolarHBondContact O-N 3.09Å; E109-N112 WeakPolarHBondContact O-CB 3.18Å; E109-N112 PolarHBondContact O-N 3.17Å; E109-N112 PolarHBondContact OE2-ND2 3.23Å; E109-T113 PolarHBondContact O-N 3.38Å; E109-I154 HydrophobicContact CB-CD1 4.12Å
110T74.5Confident78.3Confident19 Ų1952.7 Ų52.712%0.11726%0.256CS..Hα-helixtrans-59.4-37.8172.9-50.80000111Y106 I107 H108 N112 T113 L114 I154Y106-T110 PolarHBondContact O-N 2.95Å; Y106-T110 PolarHBondContact O-OG1 3.42Å; I107-T110 VanDerWaalsContact O-CB 3.29Å; I107-T110 WeakPolarHBondContact O-CB 3.45Å; I107-T110 PolarHBondContact O-N 3.12Å; H108-T110 PolarHBondContact O-N 3.05Å; T110-N112 VanDerWaalsContact C-N 3.33Å; T110-N112 PolarHBondContact O-N 2.95Å; T110-T113 PolarHBondContact O-N 2.95Å; T110-T113 PolarHBondContact O-OG1 2.9Å; T110-L114 WeakPolarHBondContact O-CG 3.39Å; T110-L114 PolarHBondContact O-N 3.25Å; T110-I154 WeakPolarHBondContact OG1-CG2 3.48Å
111Q72Confident77.7Confident35 Ų3552.5 Ų52.516%0.16426%0.256CS..Hα-helixtrans-62.2-40.6174.6-56.1-178.9-72.500111.8V59 I63 I107 H108 E109 T113 L114 N115V59-Q111 HydrophobicContact CG1-CG 4.2Å; I63-Q111 HydrophobicContact CD1-CG 3.24Å; I63-Q111 VanDerWaalsContact CD1-NE2 3.33Å; I107-Q111 PolarHBondContact O-N 3.02Å; H108-Q111 PolarHBondContact ND1-OE1 2.99Å; H108-Q111 WeakPolarHBondContact O-CA 3.37Å; H108-Q111 VanDerWaalsContact O-CB 3.23Å; H108-Q111 WeakPolarHBondContact O-CB 3.32Å; H108-Q111 PolarHBondContact O-N 2.76Å; E109-Q111 PolarHBondContact O-N 3.09Å; Q111-T113 VanDerWaalsContact C-N 3.33Å; Q111-T113 PolarHBondContact O-N 2.94Å; Q111-L114 PolarHBondContact O-N 3.46Å; Q111-N115 PolarHBondContact O-N 2.95Å; Q111-N115 PolarHBondContact O-ND2 3.45Å
112N78.4Confident77.1Confident61 Ų6149.4 Ų49.433%0.32625%0.253SS..Hα-helixtrans-62.9-41.3175.9-65.2-27000111.2H108 E109 T110 L114 N115 N116H108-N112 PolarHBondContact O-N 2.86Å; E109-N112 WeakPolarHBondContact O-CB 3.18Å; E109-N112 PolarHBondContact O-N 3.17Å; E109-N112 PolarHBondContact OE2-ND2 3.23Å; T110-N112 VanDerWaalsContact C-N 3.33Å; T110-N112 PolarHBondContact O-N 2.95Å; N112-L114 VanDerWaalsContact C-N 3.34Å; N112-L114 PolarHBondContact O-N 3.16Å; N112-N115 PolarHBondContact O-N 2.5Å; N112-N116 PolarHBondContact O-N 2.82Å; N112-N116 VanDerWaalsContact O-N 3.08Å
113T76.2Confident76.4Confident10 Ų1050.8 Ų50.86%0.06126%0.262CS..Hα-helixtrans-64.7-38.1175.466.90000112.4E109 T110 Q111 N115 N116 L117 Y147 N150 V151 I154E109-T113 PolarHBondContact O-N 3.38Å; T110-T113 PolarHBondContact O-N 2.95Å; T110-T113 PolarHBondContact O-OG1 2.9Å; Q111-T113 VanDerWaalsContact C-N 3.33Å; Q111-T113 PolarHBondContact O-N 2.94Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 3.4Å; T113-N116 WeakPolarHBondContact O-CB 3.11Å; T113-N116 PolarHBondContact O-N 2.8Å; T113-L117 PolarHBondContact O-N 3.14Å; T113-Y147 WeakPolarHBondContact O-CE2 3.32Å; T113-N150 HydrophobicContact CG2-CB 4.45Å; T113-V151 HydrophobicContact CG2-CG2 4.21Å; T113-I154 HydrophobicContact CG2-CD1 3.46Å; T113-I154 VanDerWaalsContact CG2-CD1 3.46Å
114L71Confident75.6Confident12 Ų1253 Ų536%0.06327%0.274CS..Hα-helixtrans-64.2-38.3175.3-73167.7000112.1W15 V59 T110 Q111 N112 N116 L117 H118W15-L114 HydrophobicContact CE3-CD1 4.3Å; W15-L114 HydrophobicContact CE3-CD2 4.18Å; W15-L114 HydrophobicContact CH2-CD1 4.32Å; W15-L114 HydrophobicContact CZ3-CD1 4.11Å; W15-L114 HydrophobicContact CZ3-CD2 3.97Å; V59-L114 HydrophobicContact CB-CD1 4.37Å; V59-L114 HydrophobicContact CG1-CD1 3.91Å; V59-L114 HydrophobicContact CG2-CD1 3.75Å; T110-L114 WeakPolarHBondContact O-CG 3.39Å; T110-L114 PolarHBondContact O-N 3.25Å; Q111-L114 PolarHBondContact O-N 3.46Å; N112-L114 VanDerWaalsContact C-N 3.34Å; N112-L114 PolarHBondContact O-N 3.16Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 2.83Å; L114-L117 WeakPolarHBondContact O-CB 3.31Å; L114-L117 PolarHBondContact O-N 3.27Å; L114-H118 WeakPolarHBondContact O-CB 3.37Å; L114-H118 PolarHBondContact O-N 3.01Å
115N75.6Confident75Confident93 Ų9356.4 Ų56.450%0.49728%0.284SS..Hα-helixtrans-62.6-40.2173-67.9-24000111.6Q111 N112 T113 H118 S119Q111-N115 PolarHBondContact O-N 2.95Å; Q111-N115 PolarHBondContact O-ND2 3.45Å; N112-N115 PolarHBondContact O-N 2.5Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 3.4Å; N115-H118 PolarHBondContact O-N 2.91Å; N115-S119 PolarHBondContact O-N 3.31Å
116N75.5Confident74.1Confident87 Ų8754.1 Ų54.147%0.46529%0.286SS..Hα-helixtrans-62.2-43.3173.9-68.3-22.4000111.4N112 T113 L114 S119 I120N112-N116 PolarHBondContact O-N 2.82Å; N112-N116 VanDerWaalsContact O-N 3.08Å; T113-N116 WeakPolarHBondContact O-CB 3.11Å; T113-N116 PolarHBondContact O-N 2.8Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 2.83Å; N116-S119 WeakPolarHBondContact O-CB 3.46Å; N116-S119 PolarHBondContact O-N 3.47Å; N116-I120 VanDerWaalsContact O-CG1 3.31Å; N116-I120 WeakPolarHBondContact O-CG1 3.4Å; N116-I120 PolarHBondContact O-N 3.16Å
117L73.3Confident73.1Confident14 Ų1453.4 Ų53.47%0.07329%0.285CS..Hα-helixtrans-62.2-45.7176178.161.1000111.6L22 E52 T113 L114 S119 I120 S121 Y147L22-L117 HydrophobicContact CD2-CD1 3.61Å; L22-L117 HydrophobicContact CD2-CD2 4.13Å; L22-L117 HydrophobicContact CD2-CG 4.47Å; E52-L117 WeakPolarHBondContact OE1-CD2 3.38Å; T113-L117 PolarHBondContact O-N 3.14Å; L114-L117 WeakPolarHBondContact O-CB 3.31Å; L114-L117 PolarHBondContact O-N 3.27Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.22Å; L117-I120 PolarHBondContact O-N 3.25Å; L117-I120 VanDerWaalsContact O-N 3.12Å; L117-S121 VanDerWaalsContact O-CB 3.32Å; L117-S121 WeakPolarHBondContact O-CB 3.36Å; L117-S121 PolarHBondContact O-N 2.91Å; L117-Y147 HydrophobicContact CB-CD2 4.28Å; L117-Y147 HydrophobicContact CB-CE1 4.23Å; L117-Y147 HydrophobicContact CB-CE2 3.76Å; L117-Y147 HydrophobicContact CD1-CD1 4.21Å; L117-Y147 HydrophobicContact CD1-CE1 3.92Å; L117-Y147 HydrophobicContact CD2-CE1 3.92Å; L117-Y147 WeakPolarHBondContact CD2-OH 3.4Å; L117-Y147 HydrophobicContact CG-CE1 4.25Å
118H71.3Confident72.5Confident72 Ų7258.6 Ų58.633%0.33331%0.314SS..Hα-helixtrans-58.3-39.6176-174.773000111.7N53 L114 N115 S121 T122N53-H118 PolarHBondContact OD1-CE1 2.89Å; N53-H118 PolarHBondContact OD1-ND1 3.41Å; L114-H118 WeakPolarHBondContact O-CB 3.37Å; L114-H118 PolarHBondContact O-N 3.01Å; N115-H118 PolarHBondContact O-N 2.91Å; H118-S121 PolarHBondContact O-N 3.23Å; H118-T122 WeakPolarHBondContact O-CB 3.17Å; H118-T122 PolarHBondContact O-N 2.97Å; H118-T122 PolarHBondContact O-OG1 3.48Å
119S76.6Confident71.5Confident59 Ų5960.2 Ų60.241%0.41332%0.321SS..Hα-helixtrans-62.4-46.8173.6-174.60000112.2N115 N116 L117 S121 T122 Q123N115-S119 PolarHBondContact O-N 3.31Å; N116-S119 WeakPolarHBondContact O-CB 3.46Å; N116-S119 PolarHBondContact O-N 3.47Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.22Å; S119-S121 PolarHBondContact O-N 3.45Å; S119-T122 PolarHBondContact O-N 3.31Å; S119-Q123 WeakPolarHBondContact O-CG 3.5Å; S119-Q123 PolarHBondContact O-N 2.91Å
120I71.8Confident70.3Confident13 Ų1365.4 Ų65.47%0.06734%0.342CS..Hα-helixtrans-61.2-45.1176.4-65.1163.2000110.7N116 L117 T122 Q123 L124 L144N116-I120 VanDerWaalsContact O-CG1 3.31Å; N116-I120 WeakPolarHBondContact O-CG1 3.4Å; N116-I120 PolarHBondContact O-N 3.16Å; L117-I120 PolarHBondContact O-N 3.25Å; L117-I120 VanDerWaalsContact O-N 3.12Å; I120-T122 VanDerWaalsContact C-N 3.35Å; I120-T122 PolarHBondContact O-N 2.97Å; I120-Q123 WeakPolarHBondContact O-CB 3.48Å; I120-Q123 PolarHBondContact O-N 3.49Å; I120-L124 HydrophobicContact CG2-CD1 4Å; I120-L124 HydrophobicContact CG2-CG 4.47Å; I120-L124 WeakPolarHBondContact O-CG 3.29Å; I120-L124 PolarHBondContact O-N 2.98Å; I120-L144 HydrophobicContact CD1-CD2 4.44Å; I120-L144 HydrophobicContact CG2-CD2 3.74Å; I120-L144 HydrophobicContact CG2-CG 4.2Å
121S69.5Low69.5Low2 Ų268.5 Ų68.51%0.01436%0.358CS..Hα-helixtrans-59.1-43.9176.5145.30000112V49 L117 H118 S119 L124 R125V49-S121 WeakPolarHBondContact CG1-OG 3.36Å; L117-S121 VanDerWaalsContact O-CB 3.32Å; L117-S121 WeakPolarHBondContact O-CB 3.36Å; L117-S121 PolarHBondContact O-N 2.91Å; H118-S121 PolarHBondContact O-N 3.23Å; S119-S121 PolarHBondContact O-N 3.45Å; S121-L124 WeakPolarHBondContact O-CB 3.4Å; S121-L124 PolarHBondContact O-N 3.47Å; S121-R125 WeakPolarHBondContact O-CG 3.42Å; S121-R125 PolarHBondContact O-N 2.81Å
122T75.3Confident69Low78 Ų7869.7 Ų69.748%0.47937%0.365SS..Hα-helixtrans-64-42.3176.9-57.10000111.3H118 S119 I120 L124 R125 G126H118-T122 WeakPolarHBondContact O-CB 3.17Å; H118-T122 PolarHBondContact O-N 2.97Å; H118-T122 PolarHBondContact O-OG1 3.48Å; S119-T122 PolarHBondContact O-N 3.31Å; I120-T122 VanDerWaalsContact C-N 3.35Å; I120-T122 PolarHBondContact O-N 2.97Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 3.29Å; T122-R125 PolarHBondContact O-N 2.89Å; T122-G126 PolarHBondContact O-N 3.15Å; T122-G126 VanDerWaalsContact O-N 3.17Å
123Q72.3Confident68.6Low104 Ų10470.9 Ų70.949%0.48637%0.371SS..Hα-helixtrans-60.9-43.2174-71.3175.7-10.700111.7S119 I120 G126 L127 M140S119-Q123 WeakPolarHBondContact O-CG 3.5Å; S119-Q123 PolarHBondContact O-N 2.91Å; I120-Q123 WeakPolarHBondContact O-CB 3.48Å; I120-Q123 PolarHBondContact O-N 3.49Å; Q123-G126 PolarHBondContact O-N 3.06Å; Q123-L127 PolarHBondContact O-N 3.26Å; Q123-M140 HydrophobicContact CB-CE 4.16Å
124L67.5Low68.4Low47 Ų4776 Ų7625%0.24640%0.403CS..Hα-helixtrans-63.2-42178.2-75.3166.8000112.4L45 I120 S121 T122 G126 L127 M140L45-L124 HydrophobicContact CD2-CD1 4.34Å; I120-L124 HydrophobicContact CG2-CD1 4Å; I120-L124 HydrophobicContact CG2-CG 4.47Å; I120-L124 WeakPolarHBondContact O-CG 3.29Å; I120-L124 PolarHBondContact O-N 2.98Å; S121-L124 WeakPolarHBondContact O-CB 3.4Å; S121-L124 PolarHBondContact O-N 3.47Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 3.29Å; L124-G126 PolarHBondContact O-N 2.89Å; L124-L127 PolarHBondContact O-N 3.48Å; L124-M140 HydrophobicContact CD2-CE 4.22Å; L124-M140 HydrophobicContact CD2-SD 3.42Å; L124-M140 WeakPolarHBondContact CD2-SD 3.49Å; L124-M140 HydrophobicContact CG-SD 4.26Å
125R68.5Low68.7Low112 Ų11283.3 Ų83.342%0.42343%0.434SS..Hα-helixtrans-66.3-27.3176.6-71.1-172.6-165.5-1749.7112.9V49 N53 S121 T122V49-R125 PolarHBondContact O-NH2 2.98Å; N53-R125 PolarHBondContact ND2-NH2 3.44Å; N53-R125 VanDerWaalsContact ND2-NH2 3.13Å; S121-R125 WeakPolarHBondContact O-CG 3.42Å; S121-R125 PolarHBondContact O-N 2.81Å; T122-R125 PolarHBondContact O-N 2.89Å
126G67.2Low68.4Low58 Ų5880.9 Ų80.960%0.59842%0.423SS*.THydrogen-bonded Turntrans-80.1-10.6179.200000114.9T122 Q123 L124 N128T122-G126 PolarHBondContact O-N 3.15Å; T122-G126 VanDerWaalsContact O-N 3.17Å; Q123-G126 PolarHBondContact O-N 3.06Å; L124-G126 PolarHBondContact O-N 2.89Å; G126-N128 PolarHBondContact O-N 3.26Å
127L64Low68.2Low46 Ų4677.4 Ų77.424%0.24141%0.405CS..  trans-77.5121.2179.9-71.8-179.4000111.7Q123 L124 D131 L132 T136 M140Q123-L127 PolarHBondContact O-N 3.26Å; L124-L127 PolarHBondContact O-N 3.48Å; L127-D131 HydrophobicContact CD2-CB 4.13Å; L127-L132 HydrophobicContact CD1-CD2 4.3Å; L127-L132 HydrophobicContact CD1-CG 4.41Å; L127-T136 HydrophobicContact CD1-CG2 4.39Å; L127-T136 HydrophobicContact CD2-CG2 4.01Å; L127-M140 HydrophobicContact CD1-CE 3.26Å; L127-M140 HydrophobicContact CD1-SD 3.46Å; L127-M140 WeakPolarHBondContact CD1-SD 3.44Å; L127-M140 HydrophobicContact CD2-CE 4.05Å; L127-M140 HydrophobicContact CG-CE 3.73Å
128N61.2Low68.3Low118 Ų11879.7 Ų79.763%0.63142%0.422SS*.  trans-83.3154.7162.5-79.7-43.7000110.2G126 K130 D131G126-N128 PolarHBondContact O-N 3.26Å; N128-K130 PolarHBondContact O-N 3.12Å; N128-D131 PolarHBondContact N-OD2 3.33Å; N128-D131 PolarHBondContact O-N 2.99Å
129H57Low68.6Low132 Ų13279.8 Ų79.861%0.61143%0.431SS*.THydrogen-bonded Turntrans-52.6-21.2-179.9-86.3-60.7000115
130K57.7Low68.5Low201 Ų20178 Ų7887%0.87442%0.416SS*.THydrogen-bonded Turntrans-81.4-15.8179-63.8-176179.4-179.30114.1N128N128-K130 PolarHBondContact O-N 3.12Å
131D58.5Low68.6Low85 Ų8580.4 Ų80.446%0.45543%0.427SS..SBendtrans-98.61.4-174.8-54.1-43.6000112.9L127 N128 D133L127-D131 HydrophobicContact CD2-CB 4.13Å; N128-D131 PolarHBondContact N-OD2 3.33Å; N128-D131 PolarHBondContact O-N 2.99Å; D131-D133 VanDerWaalsContact C-N 3.26Å; D131-D133 PolarHBondContact O-N 3.17Å
132L61.6Low69.1Low60 Ų6082.8 Ų82.831%0.31445%0.447SS..  trans-82.762.4179.6-84.6145.4000111.7L127 V137L127-L132 HydrophobicContact CD1-CD2 4.3Å; L127-L132 HydrophobicContact CD1-CG 4.41Å; L132-V137 HydrophobicContact CD2-CG2 3.66Å
133D68.9Low69.4Low85 Ų8581 Ų8146%0.45544%0.438SS..  trans-73.8160.416778.63000111.6D131 K135 T136 V137D131-D133 VanDerWaalsContact C-N 3.26Å; D131-D133 PolarHBondContact O-N 3.17Å; D133-K135 PolarHBondContact O-N 2.85Å; D133-K135 VanDerWaalsContact O-N 3.13Å; D133-K135 PolarHBondContact OD1-N 2.91Å; D133-T136 PolarHBondContact O-N 3.39Å; D133-T136 WeakPolarHBondContact OD1-CB 3.43Å; D133-T136 PolarHBondContact OD1-N 3.49Å; D133-T136 PolarHBondContact OD1-OG1 3.16Å; D133-V137 WeakPolarHBondContact O-CG2 3.44Å; D133-V137 PolarHBondContact O-N 3.04Å; D133-V137 VanDerWaalsContact O-N 3.12Å
134T71.4Confident69.5Low118 Ų11876.6 Ų76.672%0.72442%0.417SS*.Hα-helixtrans-57.1-31.4-177.6-44.80000112.2S138T134-S138 WeakPolarHBondContact O-CB 3.46Å; T134-S138 PolarHBondContact O-N 2.92Å; T134-S138 PolarHBondContact O-OG 2.86Å
135K77.5Confident70Confident165 Ų16577.8 Ų77.872%0.71742%0.423SS*.Hα-helixtrans-71.7-44.3-178.4-171.5179.6179.4-176.90111.5D133 S138 S139D133-K135 PolarHBondContact O-N 2.85Å; D133-K135 VanDerWaalsContact O-N 3.13Å; D133-K135 PolarHBondContact OD1-N 2.91Å; K135-S138 PolarHBondContact O-N 2.96Å; K135-S139 WeakPolarHBondContact O-CB 3.32Å; K135-S139 PolarHBondContact O-N 3.37Å
136T70.9Confident70.7Confident42 Ų4280.4 Ų80.426%0.25843%0.433SS..Hα-helixtrans-64.1-45.9177.6-56.90000110.3L127 D133 S138 S139 M140L127-T136 HydrophobicContact CD1-CG2 4.39Å; L127-T136 HydrophobicContact CD2-CG2 4.01Å; D133-T136 PolarHBondContact O-N 3.39Å; D133-T136 WeakPolarHBondContact OD1-CB 3.43Å; D133-T136 PolarHBondContact OD1-N 3.49Å; D133-T136 PolarHBondContact OD1-OG1 3.16Å; T136-S138 PolarHBondContact O-N 3.24Å; T136-S139 PolarHBondContact O-N 3.24Å; T136-M140 HydrophobicContact CG2-CE 4.15Å; T136-M140 HydrophobicContact CG2-SD 4.38Å; T136-M140 WeakPolarHBondContact O-CG 3.49Å; T136-M140 PolarHBondContact O-N 3.48Å
137V69.5Low71.3Confident15 Ų1578 Ų789%0.09141%0.406CS..Hα-helixtrans-58.4-49175.4176.10000110.9F30 L132 D133 S139 M140 Q141F30-V137 HydrophobicContact CE1-CG1 3.88Å; L132-V137 HydrophobicContact CD2-CG2 3.66Å; D133-V137 WeakPolarHBondContact O-CG2 3.44Å; D133-V137 PolarHBondContact O-N 3.04Å; D133-V137 VanDerWaalsContact O-N 3.12Å; V137-S139 VanDerWaalsContact C-N 3.34Å; V137-S139 PolarHBondContact O-N 2.94Å; V137-M140 PolarHBondContact O-N 3.18Å; V137-Q141 VanDerWaalsContact O-CB 3.24Å; V137-Q141 WeakPolarHBondContact O-CB 3.3Å; V137-Q141 PolarHBondContact O-N 3.48Å
138S75.6Confident71.9Confident62 Ų6279 Ų7943%0.43441%0.407SS..Hα-helixtrans-63.1-39.2-179.9-57.50000112.3T134 K135 T136 Q141 A142T134-S138 WeakPolarHBondContact O-CB 3.46Å; T134-S138 PolarHBondContact O-N 2.92Å; T134-S138 PolarHBondContact O-OG 2.86Å; K135-S138 PolarHBondContact O-N 2.96Å; T136-S138 PolarHBondContact O-N 3.24Å; S138-Q141 PolarHBondContact O-N 2.7Å; S138-A142 WeakPolarHBondContact O-CB 3.14Å; S138-A142 PolarHBondContact O-N 3Å
139S79.2Confident72.9Confident74 Ų7478.6 Ų78.652%0.51740%0.401SS..Hα-helixtrans-64.4-44.8176.8-173.20000111.9K135 T136 V137 Q141 A142 S143K135-S139 WeakPolarHBondContact O-CB 3.32Å; K135-S139 PolarHBondContact O-N 3.37Å; T136-S139 PolarHBondContact O-N 3.24Å; V137-S139 VanDerWaalsContact C-N 3.34Å; V137-S139 PolarHBondContact O-N 2.94Å; S139-Q141 VanDerWaalsContact C-N 3.33Å; S139-A142 PolarHBondContact O-N 3.34Å; S139-S143 PolarHBondContact O-N 2.9Å; S139-S143 PolarHBondContact O-OG 3.41Å
140M73.5Confident74.1Confident21 Ų2175.2 Ų75.210%0.10339%0.387CS..Hα-helixtrans-65.1-40.9177.5-71.3-176.8166.500111.6Q123 L124 L127 T136 V137 A142 S143 L144Q123-M140 HydrophobicContact CB-CE 4.16Å; L124-M140 HydrophobicContact CD2-CE 4.22Å; L124-M140 HydrophobicContact CD2-SD 3.42Å; L124-M140 WeakPolarHBondContact CD2-SD 3.49Å; L124-M140 HydrophobicContact CG-SD 4.26Å; L127-M140 HydrophobicContact CD1-CE 3.26Å; L127-M140 HydrophobicContact CD1-SD 3.46Å; L127-M140 WeakPolarHBondContact CD1-SD 3.44Å; L127-M140 HydrophobicContact CD2-CE 4.05Å; L127-M140 HydrophobicContact CG-CE 3.73Å; T136-M140 HydrophobicContact CG2-CE 4.15Å; T136-M140 HydrophobicContact CG2-SD 4.38Å; T136-M140 WeakPolarHBondContact O-CG 3.49Å; T136-M140 PolarHBondContact O-N 3.48Å; V137-M140 PolarHBondContact O-N 3.18Å; M140-A142 VanDerWaalsContact C-N 3.35Å; M140-A142 PolarHBondContact O-N 3.24Å; M140-S143 PolarHBondContact O-N 3.34Å; M140-L144 WeakPolarHBondContact O-CG 3.38Å; M140-L144 PolarHBondContact O-N 3.29Å
141Q73.1Confident75.1Confident64 Ų6466 Ų6630%0.29935%0.347SS..Hα-helixtrans-61.5-43.2176.8-161.9166.216.100111.2F30 V137 S138 S139 L144 I145F30-Q141 VanDerWaalsContact CD1-CD 3.48Å; F30-Q141 HydrophobicContact CD1-CG 4.26Å; F30-Q141 HydrophobicContact CD2-CG 4.08Å; F30-Q141 HydrophobicContact CE1-CB 4.06Å; F30-Q141 HydrophobicContact CE1-CG 3.74Å; F30-Q141 HydrophobicContact CE2-CB 4.12Å; F30-Q141 HydrophobicContact CE2-CG 3.55Å; F30-Q141 HydrophobicContact CG-CG 4.44Å; F30-Q141 HydrophobicContact CZ-CB 3.57Å; F30-Q141 VanDerWaalsContact CZ-CD 3.49Å; F30-Q141 HydrophobicContact CZ-CG 3.38Å; V137-Q141 VanDerWaalsContact O-CB 3.24Å; V137-Q141 WeakPolarHBondContact O-CB 3.3Å; V137-Q141 PolarHBondContact O-N 3.48Å; S138-Q141 PolarHBondContact O-N 2.7Å; S139-Q141 VanDerWaalsContact C-N 3.33Å; Q141-L144 PolarHBondContact O-N 2.96Å; Q141-I145 HydrophobicContact CG-CD1 4.45Å; Q141-I145 VanDerWaalsContact O-CG1 3.26Å; Q141-I145 WeakPolarHBondContact O-CG1 3.42Å; Q141-I145 PolarHBondContact O-N 2.78Å
142A81.9Confident76.2Confident52 Ų5267 Ų6743%0.4335%0.35SS..Hα-helixtrans-63.4-40.9173.500000112.9S138 S139 M140 I145 R146S138-A142 WeakPolarHBondContact O-CB 3.14Å; S138-A142 PolarHBondContact O-N 3Å; S139-A142 PolarHBondContact O-N 3.34Å; M140-A142 VanDerWaalsContact C-N 3.35Å; M140-A142 PolarHBondContact O-N 3.24Å; A142-I145 PolarHBondContact O-N 3.5Å; A142-R146 WeakPolarHBondContact O-CB 3.43Å; A142-R146 PolarHBondContact O-N 3.26Å
143S80.9Confident77.2Confident41 Ų4169.4 Ų69.429%0.28736%0.359SS..Hα-helixtrans-63.2-41.6175.6-67.40000112.4S139 M140 R146 Y147S139-S143 PolarHBondContact O-N 2.9Å; S139-S143 PolarHBondContact O-OG 3.41Å; M140-S143 PolarHBondContact O-N 3.34Å; S143-R146 PolarHBondContact O-N 3.15Å; S143-Y147 WeakPolarHBondContact O-CB 3.26Å; S143-Y147 PolarHBondContact O-N 2.88Å
144L74.4Confident77.9Confident11 Ų1166.2 Ų66.26%0.05834%0.342CS..Hα-helixtrans-67.9-41.8177.4-71.5169.4000112I26 I120 M140 Q141 R146 Y147 R148I26-L144 HydrophobicContact CD1-CD1 3.86Å; I26-L144 HydrophobicContact CD1-CD2 3.66Å; I26-L144 HydrophobicContact CD1-CG 4.22Å; I26-L144 HydrophobicContact CG1-CD1 4.12Å; I26-L144 HydrophobicContact CG2-CD1 3.76Å; I120-L144 HydrophobicContact CD1-CD2 4.44Å; I120-L144 HydrophobicContact CG2-CD2 3.74Å; I120-L144 HydrophobicContact CG2-CG 4.2Å; M140-L144 WeakPolarHBondContact O-CG 3.38Å; M140-L144 PolarHBondContact O-N 3.29Å; Q141-L144 PolarHBondContact O-N 2.96Å; L144-R146 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 2.95Å; L144-Y147 PolarHBondContact O-N 3.31Å; L144-R148 PolarHBondContact O-N 3.45Å
145I78Confident78.4Confident72 Ų7262 Ų6237%0.36932%0.315SS..Hα-helixtrans-61-44.7174-70.1165.7000110.5Q141 A142 R148 Q149Q141-I145 HydrophobicContact CG-CD1 4.45Å; Q141-I145 VanDerWaalsContact O-CG1 3.26Å; Q141-I145 WeakPolarHBondContact O-CG1 3.42Å; Q141-I145 PolarHBondContact O-N 2.78Å; A142-I145 PolarHBondContact O-N 3.5Å; I145-R148 WeakPolarHBondContact O-CB 3.22Å; I145-R148 PolarHBondContact O-N 3.01Å; I145-Q149 WeakPolarHBondContact O-CG 3.33Å; I145-Q149 PolarHBondContact O-N 3.32Å
146R82.8Confident78.6Confident166 Ų16656.7 Ų56.763%0.62629%0.294SS*.Hα-helixtrans-63.4-42.4177.1-173.3-177.9-62.9173.20.9111.8A142 S143 L144 R148 Q149 N150A142-R146 WeakPolarHBondContact O-CB 3.43Å; A142-R146 PolarHBondContact O-N 3.26Å; S143-R146 PolarHBondContact O-N 3.15Å; L144-R146 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 2.95Å; R146-R148 VanDerWaalsContact C-N 3.33Å; R146-R148 PolarHBondContact O-N 3.47Å; R146-Q149 PolarHBondContact O-N 3.31Å; R146-N150 WeakPolarHBondContact O-CB 3.25Å; R146-N150 PolarHBondContact O-N 2.83Å; R146-N150 PolarHBondContact O-OD1 3.18Å
147Y80.2Confident79.3Confident8 Ų855.9 Ų55.93%0.03129%0.287CS..Hα-helixtrans-58.8-45.1174.1173.3-107.1000111.1L19 M23 T113 L117 S143 L144 N150 V151L19-Y147 HydrophobicContact CD2-CD1 4.28Å; L19-Y147 HydrophobicContact CD2-CE1 3.4Å; L19-Y147 HydrophobicContact CG-CE1 4.28Å; M23-Y147 HydrophobicContact CE-CD1 3.62Å; M23-Y147 HydrophobicContact CE-CE1 4.1Å; T113-Y147 WeakPolarHBondContact O-CE2 3.32Å; L117-Y147 HydrophobicContact CB-CD2 4.28Å; L117-Y147 HydrophobicContact CB-CE1 4.23Å; L117-Y147 HydrophobicContact CB-CE2 3.76Å; L117-Y147 HydrophobicContact CD1-CD1 4.21Å; L117-Y147 HydrophobicContact CD1-CE1 3.92Å; L117-Y147 HydrophobicContact CD2-CE1 3.92Å; L117-Y147 WeakPolarHBondContact CD2-OH 3.4Å; L117-Y147 HydrophobicContact CG-CE1 4.25Å; S143-Y147 WeakPolarHBondContact O-CB 3.26Å; S143-Y147 PolarHBondContact O-N 2.88Å; L144-Y147 PolarHBondContact O-N 3.31Å; Y147-N150 PolarHBondContact O-N 2.97Å; Y147-V151 HydrophobicContact CD2-CG2 4.11Å; Y147-V151 HydrophobicContact CE1-CG2 4.41Å; Y147-V151 HydrophobicContact CE2-CG2 3.61Å; Y147-V151 WeakPolarHBondContact O-CG2 3.5Å; Y147-V151 PolarHBondContact O-N 3.31Å
148R75.3Confident80.1Confident68 Ų6855.5 Ų55.526%0.25728%0.284SS..Hα-helixtrans-54.7-55.4175.2-167.4170.665.7-171.14.2111.8M23 E27 L144 I145 R146 N150 V151 E152M23-R148 VanDerWaalsContact CE-CA 3.44Å; M23-R148 HydrophobicContact CE-CB 3.28Å; M23-R148 HydrophobicContact CE-CG 3.71Å; M23-R148 HydrophobicContact CG-CB 4.49Å; M23-R148 HydrophobicContact CG-CG 3.95Å; M23-R148 HydrophobicContact SD-CB 3.67Å; M23-R148 VanDerWaalsContact SD-CD 3.55Å; M23-R148 HydrophobicContact SD-CG 3.75Å; E27-R148 IonicContact OE1-CZ 3.24Å; E27-R148 IonicContact OE1-NH1 3.96Å; E27-R148 PolarHBondContact OE1-NH1 3.34Å; L144-R148 PolarHBondContact O-N 3.45Å; I145-R148 WeakPolarHBondContact O-CB 3.22Å; I145-R148 PolarHBondContact O-N 3.01Å; R146-R148 VanDerWaalsContact C-N 3.33Å; R146-R148 PolarHBondContact O-N 3.47Å; R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 3.42Å; R148-V151 PolarHBondContact O-N 3.15Å; R148-V151 VanDerWaalsContact O-N 3.15Å; R148-E152 HydrophobicContact CG-CG 4.29Å; R148-E152 WeakPolarHBondContact CG-OE1 3.44Å; R148-E152 IonicContact NE-OE1 2.68Å; R148-E152 WeakPolarHBondContact O-CB 3.45Å; R148-E152 WeakPolarHBondContact O-CG 3.48Å; R148-E152 PolarHBondContact O-N 2.95Å
149Q82.5Confident80.5Confident108 Ų10855.1 Ų55.151%0.50528%0.276SS..Hα-helixtrans-58.7-45-177.2-72.1172.7-28.200111.6I145 R146 V151 E152 E153I145-Q149 WeakPolarHBondContact O-CG 3.33Å; I145-Q149 PolarHBondContact O-N 3.32Å; R146-Q149 PolarHBondContact O-N 3.31Å; Q149-V151 VanDerWaalsContact C-N 3.31Å; Q149-V151 PolarHBondContact O-N 3Å; Q149-E152 PolarHBondContact O-N 3.23Å; Q149-E153 WeakPolarHBondContact O-CB 3.32Å; Q149-E153 PolarHBondContact O-N 3.24Å
150N83.1Confident80.7Confident62 Ų6251.8 Ų51.833%0.33225%0.252SS..Hα-helixtrans-61-41.6178.2-72.2-5.4000111.8T113 R146 Y147 R148 I154T113-N150 HydrophobicContact CG2-CB 4.45Å; R146-N150 WeakPolarHBondContact O-CB 3.25Å; R146-N150 PolarHBondContact O-N 2.83Å; R146-N150 PolarHBondContact O-OD1 3.18Å; Y147-N150 PolarHBondContact O-N 2.97Å; R148-N150 VanDerWaalsContact C-N 3.33Å; R148-N150 PolarHBondContact O-N 3.42Å; N150-I154 VanDerWaalsContact O-CG1 3.26Å; N150-I154 WeakPolarHBondContact O-CG1 3.39Å; N150-I154 PolarHBondContact O-N 2.91Å
151V78.7Confident81.3Confident6 Ų650.9 Ų50.94%0.03625%0.248CC..Hα-helixtrans-73.7-43.2-178.4175.70000111.6L19 T113 Y147 R148 Q149 E153 I154 I155L19-V151 HydrophobicContact CD1-CG1 3.51Å; L19-V151 HydrophobicContact CD2-CB 3.62Å; L19-V151 HydrophobicContact CD2-CG1 3.4Å; L19-V151 VanDerWaalsContact CD2-CG1 3.4Å; L19-V151 HydrophobicContact CD2-CG2 3.8Å; L19-V151 HydrophobicContact CG-CG1 3.98Å; T113-V151 HydrophobicContact CG2-CG2 4.21Å; Y147-V151 HydrophobicContact CD2-CG2 4.11Å; Y147-V151 HydrophobicContact CE1-CG2 4.41Å; Y147-V151 HydrophobicContact CE2-CG2 3.61Å; Y147-V151 WeakPolarHBondContact O-CG2 3.5Å; Y147-V151 PolarHBondContact O-N 3.31Å; R148-V151 PolarHBondContact O-N 3.15Å; R148-V151 VanDerWaalsContact O-N 3.15Å; Q149-V151 VanDerWaalsContact C-N 3.31Å; Q149-V151 PolarHBondContact O-N 3Å; V151-E153 PolarHBondContact O-N 3.12Å; V151-I154 PolarHBondContact O-N 3.49Å; V151-I155 HydrophobicContact CG1-CD1 3.53Å; V151-I155 HydrophobicContact CG1-CG1 4.22Å; V151-I155 WeakPolarHBondContact O-CB 3.29Å; V151-I155 VanDerWaalsContact O-CD1 3.31Å; V151-I155 WeakPolarHBondContact O-CD1 3.43Å; V151-I155 WeakPolarHBondContact O-CG1 3.35Å; V151-I155 PolarHBondContact O-N 3.47Å
152E80.8Confident81.8Confident107 Ų10748.7 Ų48.750%0.524%0.238SC..Hα-helixtrans-55.4-41.6172.5-73.8172.3169.800111.5R148 Q149 L156R148-E152 HydrophobicContact CG-CG 4.29Å; R148-E152 WeakPolarHBondContact CG-OE1 3.44Å; R148-E152 IonicContact NE-OE1 2.68Å; R148-E152 WeakPolarHBondContact O-CB 3.45Å; R148-E152 WeakPolarHBondContact O-CG 3.48Å; R148-E152 PolarHBondContact O-N 2.95Å; Q149-E152 PolarHBondContact O-N 3.23Å; E152-L156 WeakPolarHBondContact O-CB 3.29Å; E152-L156 PolarHBondContact O-N 2.89Å
153E83.2Confident81.8Confident110 Ų11050 Ų5051%0.51424%0.238SC..Hα-helixtrans-65.9-46.8176.4-175.3177.3179.400112.4Q149 V151 I155 L156 H157Q149-E153 WeakPolarHBondContact O-CB 3.32Å; Q149-E153 PolarHBondContact O-N 3.24Å; V151-E153 PolarHBondContact O-N 3.12Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 3.07Å; E153-L156 PolarHBondContact O-N 2.77Å; E153-H157 VanDerWaalsContact CG-CE1 3.42Å; E153-H157 WeakPolarHBondContact CG-CE1 3.35Å; E153-H157 WeakPolarHBondContact CG-ND1 3Å; E153-H157 PolarHBondContact O-N 3.28Å; E153-H157 PolarHBondContact O-ND1 3.24Å; E153-H157 IonicContact OE1-CE1 2.8Å; E153-H157 PolarHBondContact OE1-CE1 2.7Å
154I84.2Confident82Confident18 Ų1851.4 Ų51.49%0.09224%0.239CC..Hα-helixtrans-57.9-47.2177.4-73.3167.6000110.1Y106 E109 T110 T113 N150 V151 H157 L158Y106-I154 HydrophobicContact CD1-CG1 4.43Å; Y106-I154 HydrophobicContact CD1-CG2 4.35Å; E109-I154 HydrophobicContact CB-CD1 4.12Å; T110-I154 WeakPolarHBondContact OG1-CG2 3.48Å; T113-I154 HydrophobicContact CG2-CD1 3.46Å; T113-I154 VanDerWaalsContact CG2-CD1 3.46Å; N150-I154 VanDerWaalsContact O-CG1 3.26Å; N150-I154 WeakPolarHBondContact O-CG1 3.39Å; N150-I154 PolarHBondContact O-N 2.91Å; V151-I154 PolarHBondContact O-N 3.49Å; I154-H157 PolarHBondContact O-N 3.29Å; I154-L158 WeakPolarHBondContact O-CB 3.25Å; I154-L158 PolarHBondContact O-N 2.82Å
155I80.4Confident82.4Confident30 Ų3051.2 Ų51.215%0.15424%0.238CC..Hα-helixtrans-57.7-52.4178.7-73.3162.1000110.6L16 V151 E153 H157 L158 E159L16-I155 HydrophobicContact CD1-CB 4.4Å; L16-I155 HydrophobicContact CD1-CD1 4.46Å; L16-I155 HydrophobicContact CD1-CG1 4.21Å; L16-I155 HydrophobicContact CD1-CG2 3.4Å; L16-I155 HydrophobicContact CD2-CB 4.49Å; L16-I155 HydrophobicContact CD2-CD1 3.48Å; L16-I155 VanDerWaalsContact CD2-CD1 3.48Å; L16-I155 HydrophobicContact CD2-CG1 4.14Å; L16-I155 HydrophobicContact CD2-CG2 3.73Å; L16-I155 HydrophobicContact CG-CB 4.27Å; L16-I155 HydrophobicContact CG-CD1 3.47Å; L16-I155 VanDerWaalsContact CG-CD1 3.47Å; L16-I155 HydrophobicContact CG-CG1 3.69Å; L16-I155 HydrophobicContact CG-CG2 3.62Å; V151-I155 HydrophobicContact CG1-CD1 3.53Å; V151-I155 HydrophobicContact CG1-CG1 4.22Å; V151-I155 WeakPolarHBondContact O-CB 3.29Å; V151-I155 VanDerWaalsContact O-CD1 3.31Å; V151-I155 WeakPolarHBondContact O-CD1 3.43Å; V151-I155 WeakPolarHBondContact O-CG1 3.35Å; V151-I155 PolarHBondContact O-N 3.47Å; E153-I155 VanDerWaalsContact C-N 3.3Å; E153-I155 PolarHBondContact O-N 3.07Å; I155-H157 VanDerWaalsContact C-N 3.33Å; I155-H157 PolarHBondContact O-N 3.31Å; I155-L158 PolarHBondContact O-N 3.31Å; I155-L158 VanDerWaalsContact O-N 3.16Å; I155-E159 HydrophobicContact CG2-CG 4.29Å; I155-E159 WeakPolarHBondContact O-CB 3.22Å; I155-E159 WeakPolarHBondContact O-CG 3.38Å; I155-E159 PolarHBondContact O-N 3.49Å
156L82.9Confident82.4Confident53 Ų5348.9 Ų48.928%0.27723%0.232SC..Hα-helixtrans-56.5-47.8-178.3176.462.2000111.3E152 E153 L158 I160 R378 A381E152-L156 WeakPolarHBondContact O-CB 3.29Å; E152-L156 PolarHBondContact O-N 2.89Å; E153-L156 PolarHBondContact O-N 2.77Å; L156-L158 PolarHBondContact O-N 3.2Å; L156-I160 HydrophobicContact CD1-CD1 3.94Å; L156-I160 HydrophobicContact CG-CD1 3.97Å; L156-I160 WeakPolarHBondContact O-CB 3.47Å; L156-I160 WeakPolarHBondContact O-CD1 3.1Å; L156-I160 VanDerWaalsContact O-CG1 3.22Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.2Å; L156-R378 HydrophobicContact CD1-CB 4.21Å; L156-R378 HydrophobicContact CD1-CG 3.86Å; L156-A381 HydrophobicContact CD1-CB 4.43Å; L156-A381 HydrophobicContact CD2-CB 3.78Å; L156-A381 HydrophobicContact CG-CB 4.27Å
157H85.8Confident82.3Confident26 Ų2645.2 Ų45.212%0.1222%0.222CC..Hα-helixtrans-62.8-43.4178-76.688.1000112.3Y106 E153 I154 I155 I160 I161 V385Y106-H157 HydrophobicContact CD1-CB 4.3Å; Y106-H157 HydrophobicContact CD2-CB 4.47Å; Y106-H157 HydrophobicContact CE1-CB 3.75Å; Y106-H157 HydrophobicContact CE2-CB 3.98Å; Y106-H157 AromaticContact CZ-CD2 3.91Å; Y106-H157 AromaticContact CZ-CG 3.81Å; Y106-H157 PolarHBondContact OH-CD2 3.02Å; E153-H157 VanDerWaalsContact CG-CE1 3.42Å; E153-H157 WeakPolarHBondContact CG-CE1 3.35Å; E153-H157 WeakPolarHBondContact CG-ND1 3Å; E153-H157 PolarHBondContact O-N 3.28Å; E153-H157 PolarHBondContact O-ND1 3.24Å; E153-H157 IonicContact OE1-CE1 2.8Å; E153-H157 PolarHBondContact OE1-CE1 2.7Å; I154-H157 PolarHBondContact O-N 3.29Å; I155-H157 VanDerWaalsContact C-N 3.33Å; I155-H157 PolarHBondContact O-N 3.31Å; H157-I160 PolarHBondContact O-N 3.3Å; H157-I161 WeakPolarHBondContact O-CB 3.33Å; H157-I161 WeakPolarHBondContact O-CD1 2.87Å; H157-I161 VanDerWaalsContact O-CG1 3.23Å; H157-I161 WeakPolarHBondContact O-CG1 3.34Å; H157-I161 PolarHBondContact O-N 3.04Å; H157-V385 WeakPolarHBondContact CD2-CG2 3.23Å
158L85.2Confident82.2Confident6 Ų646.3 Ų46.33%0.03123%0.228CC..Hα-helixtrans-68.6-41.6-176.4-172.556.6000111.3V12 A103 I107 I154 I155 L156 I161 L162V12-L158 HydrophobicContact CB-CD1 4.45Å; V12-L158 HydrophobicContact CB-CD2 3.74Å; V12-L158 HydrophobicContact CB-CG 3.89Å; V12-L158 HydrophobicContact CG1-CB 4.22Å; V12-L158 HydrophobicContact CG1-CD1 4.24Å; V12-L158 HydrophobicContact CG1-CD2 3.37Å; V12-L158 HydrophobicContact CG1-CG 3.28Å; V12-L158 HydrophobicContact CG2-CD1 3.57Å; V12-L158 HydrophobicContact CG2-CD2 3.58Å; V12-L158 HydrophobicContact CG2-CG 3.56Å; A103-L158 HydrophobicContact CB-CD1 3.83Å; I107-L158 HydrophobicContact CG1-CD1 4.41Å; I107-L158 HydrophobicContact CG1-CD2 4.24Å; I154-L158 WeakPolarHBondContact O-CB 3.25Å; I154-L158 PolarHBondContact O-N 2.82Å; I155-L158 PolarHBondContact O-N 3.31Å; I155-L158 VanDerWaalsContact O-N 3.16Å; L156-L158 PolarHBondContact O-N 3.2Å; L158-I161 PolarHBondContact O-N 3.16Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 3.16Å
159E83.4Confident82.3Confident55 Ų5546.3 Ų46.326%0.25723%0.233SC..Hα-helixtrans-60-46.1171-75-174172.700112.4I155 I161 L162 N163 R378I155-E159 HydrophobicContact CG2-CG 4.29Å; I155-E159 WeakPolarHBondContact O-CB 3.22Å; I155-E159 WeakPolarHBondContact O-CG 3.38Å; I155-E159 PolarHBondContact O-N 3.49Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 2.89Å; E159-L162 PolarHBondContact O-N 3.42Å; E159-N163 WeakPolarHBondContact O-CB 3.37Å; E159-N163 VanDerWaalsContact O-CG 3.27Å; E159-N163 PolarHBondContact O-N 3.4Å; E159-N163 PolarHBondContact O-ND2 2.84Å; E159-R378 IonicContact OE2-CZ 2.77Å; E159-R378 IonicContact OE2-NE 2.76Å; E159-R378 IonicContact OE2-NH1 2.83Å; E159-R378 IonicContact OE2-NH2 2.67Å; E159-R378 PolarHBondContact OE2-NH2 2.96Å
160I84.8Confident82.1Confident3 Ų342.7 Ų42.72%0.01522%0.224CC..Hα-helixtrans-58.3-44.1176.3-75.1163.9000110.5L156 H157 K164 A381 N382 V385 M386L156-I160 HydrophobicContact CD1-CD1 3.94Å; L156-I160 HydrophobicContact CG-CD1 3.97Å; L156-I160 WeakPolarHBondContact O-CB 3.47Å; L156-I160 WeakPolarHBondContact O-CD1 3.1Å; L156-I160 VanDerWaalsContact O-CG1 3.22Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.2Å; H157-I160 PolarHBondContact O-N 3.3Å; I160-K164 WeakPolarHBondContact O-CB 3.38Å; I160-K164 PolarHBondContact O-N 3.11Å; I160-A381 HydrophobicContact CD1-CB 3.89Å; I160-N382 HydrophobicContact CD1-CB 4.27Å; I160-N382 HydrophobicContact CG1-CB 4.21Å; I160-N382 HydrophobicContact CG2-CB 4.36Å; I160-V385 HydrophobicContact CD1-CG2 4.28Å; I160-V385 HydrophobicContact CG2-CB 4.18Å; I160-V385 HydrophobicContact CG2-CG1 4.05Å; I160-M386 HydrophobicContact CG2-CE 3.36Å
161I86Confident81.9Confident2 Ų240.5 Ų40.51%0.0121%0.214CC..Hα-helixtrans-65.9-45.3179.1-71.8164.6000111.3L99 R102 A103 Y106 H157 L158 E159 K164 L165 M386L99-I161 HydrophobicContact CB-CG2 4.11Å; L99-I161 VanDerWaalsContact O-CG2 3.31Å; L99-I161 WeakPolarHBondContact O-CG2 3.5Å; R102-I161 HydrophobicContact CB-CD1 3.93Å; A103-I161 HydrophobicContact CB-CG2 3.86Å; Y106-I161 HydrophobicContact CD2-CD1 3.52Å; Y106-I161 HydrophobicContact CE2-CD1 3.42Å; Y106-I161 VanDerWaalsContact CE2-CD1 3.42Å; H157-I161 WeakPolarHBondContact O-CB 3.33Å; H157-I161 WeakPolarHBondContact O-CD1 2.87Å; H157-I161 VanDerWaalsContact O-CG1 3.23Å; H157-I161 WeakPolarHBondContact O-CG1 3.34Å; H157-I161 PolarHBondContact O-N 3.04Å; L158-I161 PolarHBondContact O-N 3.16Å; E159-I161 VanDerWaalsContact C-N 3.29Å; E159-I161 PolarHBondContact O-N 2.89Å; I161-K164 PolarHBondContact O-N 3.45Å; I161-L165 HydrophobicContact CG2-CD1 3.95Å; I161-L165 HydrophobicContact CG2-CG 4.47Å; I161-L165 WeakPolarHBondContact O-CG 2.99Å; I161-L165 PolarHBondContact O-N 3.15Å; I161-M386 HydrophobicContact CG1-CE 4.5Å
162L83.7Confident82.1Confident18 Ų1842.1 Ų42.19%0.09423%0.226CC..Hα-helixtrans-62.8-45.4177.9-75.2-165000112V12 L158 E159 K164 L165 G166V12-L162 HydrophobicContact CB-CD1 3.54Å; V12-L162 HydrophobicContact CB-CG 4.39Å; V12-L162 HydrophobicContact CG1-CD1 3.41Å; V12-L162 VanDerWaalsContact CG1-CD1 3.41Å; V12-L162 HydrophobicContact CG1-CG 4.16Å; V12-L162 HydrophobicContact CG2-CD1 3.75Å; V12-L162 HydrophobicContact CG2-CD2 4.2Å; V12-L162 HydrophobicContact CG2-CG 4.15Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 3.16Å; E159-L162 PolarHBondContact O-N 3.42Å; L162-K164 PolarHBondContact O-N 2.67Å; L162-L165 HydrophobicContact CD2-CD1 4.21Å; L162-L165 WeakPolarHBondContact O-CB 3.16Å; L162-L165 PolarHBondContact O-N 3.02Å; L162-G166 PolarHBondContact O-N 3.2Å
163N82.2Confident82.2Confident80 Ų8042.4 Ų42.443%0.42823%0.227SC..Hα-helixtrans-57.2-43.3174.9-76.1-15000110.6E159 G166 Q167 R378E159-N163 WeakPolarHBondContact O-CB 3.37Å; E159-N163 VanDerWaalsContact O-CG 3.27Å; E159-N163 PolarHBondContact O-N 3.4Å; E159-N163 PolarHBondContact O-ND2 2.84Å; N163-G166 PolarHBondContact O-N 3.47Å; N163-Q167 WeakPolarHBondContact O-CG 3.43Å; N163-Q167 PolarHBondContact O-N 2.87Å; N163-R378 PolarHBondContact ND2-NH2 3.43Å
164K84.3Confident82.4Confident71 Ų7141.4 Ų41.431%0.30922%0.224SC..Hα-helixtrans-69.6-39.4178.9-166.166.6-177.1173.20112.7L99 I160 I161 L162 G166 Q167 L168 M386L99-K164 HydrophobicContact CD1-CB 3.71Å; L99-K164 HydrophobicContact CD1-CG 3.54Å; I160-K164 WeakPolarHBondContact O-CB 3.38Å; I160-K164 PolarHBondContact O-N 3.11Å; I161-K164 PolarHBondContact O-N 3.45Å; L162-K164 PolarHBondContact O-N 2.67Å; K164-G166 PolarHBondContact O-N 2.8Å; K164-Q167 VanDerWaalsContact NZ-OE1 3.1Å; K164-Q167 WeakPolarHBondContact O-CA 2.86Å; K164-Q167 WeakPolarHBondContact O-CB 3.49Å; K164-Q167 PolarHBondContact O-N 2.77Å; K164-L168 WeakPolarHBondContact O-CG 3.46Å; K164-L168 PolarHBondContact O-N 3.36Å; K164-M386 HydrophobicContact CB-CE 3.85Å; K164-M386 HydrophobicContact CB-SD 4.28Å; K164-M386 HydrophobicContact CD-SD 4.42Å; K164-M386 HydrophobicContact CG-CE 4.13Å; K164-M386 HydrophobicContact CG-SD 3.88Å
165L82Confident82.6Confident7 Ų743.6 Ų43.64%0.03723%0.231CC..Hα-helixtrans-55.4-41.4172.1-81.7164.8000111.4F8 H96 L99 R100 A103 I161 L162 Q167 L168F8-L165 HydrophobicContact CE1-CB 4.47Å; F8-L165 HydrophobicContact CE1-CD1 3.98Å; F8-L165 HydrophobicContact CZ-CD1 4.29Å; H96-L165 WeakPolarHBondContact O-CD2 3.44Å; L99-L165 HydrophobicContact CB-CD1 4.31Å; L99-L165 HydrophobicContact CB-CD2 3.67Å; L99-L165 HydrophobicContact CB-CG 3.76Å; L99-L165 HydrophobicContact CD1-CG 4.43Å; R100-L165 HydrophobicContact CB-CD2 4.36Å; A103-L165 HydrophobicContact CB-CD1 4.46Å; I161-L165 HydrophobicContact CG2-CD1 3.95Å; I161-L165 HydrophobicContact CG2-CG 4.47Å; I161-L165 WeakPolarHBondContact O-CG 2.99Å; I161-L165 PolarHBondContact O-N 3.15Å; L162-L165 HydrophobicContact CD2-CD1 4.21Å; L162-L165 WeakPolarHBondContact O-CB 3.16Å; L162-L165 PolarHBondContact O-N 3.02Å; L165-Q167 PolarHBondContact O-N 2.92Å; L165-Q167 VanDerWaalsContact O-N 3.15Å; L165-L168 PolarHBondContact O-N 2.78Å
166G78.5Confident83.1Confident23 Ų2343.2 Ų43.224%0.23723%0.23CC..THydrogen-bonded Turntrans-63.9-13.7175.200000115.2L162 N163 K164 S171 R175L162-G166 PolarHBondContact O-N 3.2Å; N163-G166 PolarHBondContact O-N 3.47Å; K164-G166 PolarHBondContact O-N 2.8Å; G166-S171 WeakPolarHBondContact O-CB 3.4Å; G166-R175 PolarHBondContact O-NH2 2.67Å
167Q80.6Confident83.5Confident89 Ų8945.2 Ų45.242%0.41624%0.24SC..THydrogen-bonded Turntrans-103-16.8179.9-64.2172.41000114.2N163 K164 L165N163-Q167 WeakPolarHBondContact O-CG 3.43Å; N163-Q167 PolarHBondContact O-N 2.87Å; K164-Q167 VanDerWaalsContact NZ-OE1 3.1Å; K164-Q167 WeakPolarHBondContact O-CA 2.86Å; K164-Q167 WeakPolarHBondContact O-CB 3.49Å; K164-Q167 PolarHBondContact O-N 2.77Å; L165-Q167 PolarHBondContact O-N 2.92Å; L165-Q167 VanDerWaalsContact O-N 3.15Å
168L77.6Confident83.9Confident30 Ų3044.4 Ų44.416%0.15724%0.239CC..THydrogen-bonded Turntrans-77.4167.4-175.4-69.1178.9000113.2H96 L99 K164 L165 G170 S171H96-L168 HydrophobicContact CB-CD1 4.21Å; L99-L168 HydrophobicContact CD1-CD1 3.69Å; L99-L168 HydrophobicContact CG-CD1 4.32Å; K164-L168 WeakPolarHBondContact O-CG 3.46Å; K164-L168 PolarHBondContact O-N 3.36Å; L165-L168 PolarHBondContact O-N 2.78Å; L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 3.21Å; L168-S171 WeakPolarHBondContact O-CB 2.94Å; L168-S171 PolarHBondContact O-N 3.36Å; L168-S171 PolarHBondContact O-OG 3.09Å; L168-S171 VanDerWaalsContact O-OG 3.12Å
169D78.5Confident84.4Confident69 Ų6944.1 Ų44.137%0.36924%0.237SC..THydrogen-bonded Turntrans5341.6173.7-50.2-31000113.9G93 H96 S171G93-D169 WeakPolarHBondContact CA-OD1 3.39Å; G93-D169 PolarHBondContact N-OD1 3.49Å; G93-D169 VanDerWaalsContact N-OD1 3.15Å; G93-D169 PolarHBondContact N-OD2 2.96Å; H96-D169 WeakPolarHBondContact CB-OD2 3.22Å; H96-D169 IonicContact CE1-OD2 3.95Å; H96-D169 IonicContact CG-OD2 3.74Å; H96-D169 VanDerWaalsContact CG-OD2 3.25Å; H96-D169 IonicContact ND1-OD2 3.76Å; H96-D169 PolarHBondContact ND1-OD2 3.32Å; D169-S171 PolarHBondContact O-N 3.35Å; D169-S171 VanDerWaalsContact O-N 3.15Å
170G78.4Confident85Confident31 Ų3143.1 Ų43.132%0.3223%0.234SC..THydrogen-bonded Turntrans74.3-1.8-179.300000114.6L168 S172 Q173 I174L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 3.21Å; G170-S172 VanDerWaalsContact C-N 3.31Å; G170-S172 PolarHBondContact O-N 3.23Å; G170-Q173 VanDerWaalsContact CA-OE1 3.24Å; G170-Q173 PolarHBondContact O-N 3.31Å; G170-Q173 PolarHBondContact O-OE1 3.02Å; G170-I174 VanDerWaalsContact O-CG1 3.3Å; G170-I174 WeakPolarHBondContact O-CG1 3.25Å; G170-I174 PolarHBondContact O-N 2.87Å
171S79.1Confident85.5Confident16 Ų1646.6 Ų46.611%0.11225%0.252CS..Hα-helixtrans-61.4-37.4-174.6-70.70000112.9R5 G166 L168 D169 R175R5-S171 PolarHBondContact NH2-OG 2.6Å; G166-S171 WeakPolarHBondContact O-CB 3.4Å; L168-S171 WeakPolarHBondContact O-CB 2.94Å; L168-S171 PolarHBondContact O-N 3.36Å; L168-S171 PolarHBondContact O-OG 3.09Å; L168-S171 VanDerWaalsContact O-OG 3.12Å; D169-S171 PolarHBondContact O-N 3.35Å; D169-S171 VanDerWaalsContact O-N 3.15Å; S171-R175 WeakPolarHBondContact O-CB 3.45Å; S171-R175 PolarHBondContact O-N 3.17Å; S171-R175 VanDerWaalsContact O-N 3.11Å
172S81.6Confident86Confident41 Ų4146.5 Ų46.529%0.28725%0.252SS..Hα-helixtrans-65.6-48.3175.4175.50000110.9G170 I174 R175 V176G170-S172 VanDerWaalsContact C-N 3.31Å; G170-S172 PolarHBondContact O-N 3.23Å; S172-I174 PolarHBondContact O-N 3.39Å; S172-R175 WeakPolarHBondContact O-CB 3.34Å; S172-R175 PolarHBondContact O-N 2.86Å; S172-R175 VanDerWaalsContact O-N 3.09Å; S172-V176 WeakPolarHBondContact O-CG2 3.42Å; S172-V176 PolarHBondContact O-N 2.83Å
173Q84.4Confident86.6Confident112 Ų11246 Ų4652%0.52325%0.25SC..Hα-helixtrans-62-43.9179.7-66.381.8-4.400111.7G170 R175 V176 I177G170-Q173 VanDerWaalsContact CA-OE1 3.24Å; G170-Q173 PolarHBondContact O-N 3.31Å; G170-Q173 PolarHBondContact O-OE1 3.02Å; Q173-R175 VanDerWaalsContact C-N 3.25Å; Q173-R175 PolarHBondContact O-N 3.08Å; Q173-V176 PolarHBondContact O-N 2.75Å; Q173-I177 WeakPolarHBondContact O-CB 3.42Å; Q173-I177 VanDerWaalsContact O-CG1 3.25Å; Q173-I177 WeakPolarHBondContact O-CG1 3.44Å; Q173-I177 PolarHBondContact O-N 3.35Å
174I86.5Confident87.3Confident89 Ų8948.2 Ų48.246%0.45626%0.256SS..Hα-helixtrans-58.6-40.5174.9-69.3166.3000110.6G170 S172 G178 L304G170-I174 VanDerWaalsContact O-CG1 3.3Å; G170-I174 WeakPolarHBondContact O-CG1 3.25Å; G170-I174 PolarHBondContact O-N 2.87Å; S172-I174 PolarHBondContact O-N 3.39Å; I174-G178 WeakPolarHBondContact O-CA 3.21Å; I174-G178 PolarHBondContact O-N 3.36Å; I174-L304 HydrophobicContact CG2-CD2 4.49Å
175R88.3Confident87.9Confident65 Ų6549.4 Ų49.425%0.24526%0.259CS..Hα-helixtrans-65.6-52.9178.9-160.6-174.5-49.3-162.45111.6G166 S171 S172 Q173 I177 G178 L179 L304 D501G166-R175 PolarHBondContact O-NH2 2.67Å; S171-R175 WeakPolarHBondContact O-CB 3.45Å; S171-R175 PolarHBondContact O-N 3.17Å; S171-R175 VanDerWaalsContact O-N 3.11Å; S172-R175 WeakPolarHBondContact O-CB 3.34Å; S172-R175 PolarHBondContact O-N 2.86Å; S172-R175 VanDerWaalsContact O-N 3.09Å; Q173-R175 VanDerWaalsContact C-N 3.25Å; Q173-R175 PolarHBondContact O-N 3.08Å; R175-I177 PolarHBondContact O-N 3.48Å; R175-G178 PolarHBondContact O-N 3.15Å; R175-L179 HydrophobicContact CG-CD1 3.95Å; R175-L179 HydrophobicContact CG-CG 4.43Å; R175-L179 WeakPolarHBondContact O-CB 3.4Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 3.43Å; R175-L304 VanDerWaalsContact CD-O 3.25Å; R175-L304 WeakPolarHBondContact CD-O 3.4Å; R175-L304 WeakPolarHBondContact CG-O 3.37Å; R175-D501 IonicContact NH1-OD2 2.65Å
176V91Very high88.5Confident22 Ų2249.1 Ų49.113%0.13326%0.257CS..Hα-helixtrans-56.1-51.6179.1168.40000111.1S172 Q173 N180 H496 M497S172-V176 WeakPolarHBondContact O-CG2 3.42Å; S172-V176 PolarHBondContact O-N 2.83Å; Q173-V176 PolarHBondContact O-N 2.75Å; V176-N180 VanDerWaalsContact O-CB 3.31Å; V176-N180 WeakPolarHBondContact O-CB 3.39Å; V176-N180 PolarHBondContact O-N 2.86Å; V176-H496 WeakPolarHBondContact CG1-O 3.28Å; V176-H496 WeakPolarHBondContact CG2-O 3.4Å; V176-M497 HydrophobicContact CG1-CE 4.23Å; V176-M497 HydrophobicContact CG1-SD 3.74Å
177I92.3Very high89.4Confident94 Ų9450 Ų5048%0.48226%0.255SS..Hα-helixtrans-66-44.3-179-65.9167.7000110.7Q173 R175 N180 N181Q173-I177 WeakPolarHBondContact O-CB 3.42Å; Q173-I177 VanDerWaalsContact O-CG1 3.25Å; Q173-I177 WeakPolarHBondContact O-CG1 3.44Å; Q173-I177 PolarHBondContact O-N 3.35Å; R175-I177 PolarHBondContact O-N 3.48Å; I177-N180 PolarHBondContact O-N 3.37Å; I177-N181 WeakPolarHBondContact O-CB 3.25Å; I177-N181 PolarHBondContact O-N 3.38Å; I177-N181 PolarHBondContact O-ND2 3.47Å
178G94.4Very high90.2Very high9 Ų952 Ų529%0.09326%0.262CS..Hα-helixtrans-61.5-48.8-18000000112.6I174 R175 N180 N181 L182I174-G178 WeakPolarHBondContact O-CA 3.21Å; I174-G178 PolarHBondContact O-N 3.36Å; R175-G178 PolarHBondContact O-N 3.15Å; G178-N180 PolarHBondContact O-N 3.48Å; G178-N181 PolarHBondContact O-N 3.39Å; G178-L182 PolarHBondContact O-N 2.95Å
179L95.5Very high91Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-63.4-41.6177.5-69.7173.8000111.8R175 N181 L182 A183 L301 L304 H305 H496 G500 D501R175-L179 HydrophobicContact CG-CD1 3.95Å; R175-L179 HydrophobicContact CG-CG 4.43Å; R175-L179 WeakPolarHBondContact O-CB 3.4Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 3.43Å; L179-N181 VanDerWaalsContact C-N 3.34Å; L179-N181 PolarHBondContact O-N 2.76Å; L179-L182 PolarHBondContact O-N 3.26Å; L179-A183 WeakPolarHBondContact O-CB 3.48Å; L179-A183 PolarHBondContact O-N 3.24Å; L179-L301 HydrophobicContact CD2-CD1 3.96Å; L179-L304 HydrophobicContact CD2-CB 3.67Å; L179-L304 HydrophobicContact CG-CB 4.01Å; L179-H305 HydrophobicContact CD2-CB 4.04Å; L179-H496 HydrophobicContact CB-CB 3.9Å; L179-G500 WeakPolarHBondContact CD1-O 3.33Å; L179-D501 HydrophobicContact CD1-CB 4.37Å
180N95.6Very high91.9Very high35 Ų3550.8 Ų50.819%0.18725%0.252CS..Hα-helixtrans-62.5-40.4175.4-173.345.9000112.3V176 I177 G178 A183 K184 H496 M497V176-N180 VanDerWaalsContact O-CB 3.31Å; V176-N180 WeakPolarHBondContact O-CB 3.39Å; V176-N180 PolarHBondContact O-N 2.86Å; I177-N180 PolarHBondContact O-N 3.37Å; G178-N180 PolarHBondContact O-N 3.48Å; N180-A183 PolarHBondContact O-N 2.87Å; N180-K184 PolarHBondContact ND2-NZ 2.96Å; N180-K184 WeakPolarHBondContact O-CG 3.28Å; N180-K184 PolarHBondContact O-N 3.21Å; N180-H496 HydrophobicContact CB-CB 4.5Å; N180-M497 HydrophobicContact CB-SD 3.95Å
181N95.7Very high92.8Very high75 Ų7551.6 Ų51.640%0.40125%0.248SC..Hα-helixtrans-70.1-37.3176.9-71.9-16.7000112.5I177 G178 L179 R185I177-N181 WeakPolarHBondContact O-CB 3.25Å; I177-N181 PolarHBondContact O-N 3.38Å; I177-N181 PolarHBondContact O-ND2 3.47Å; G178-N181 PolarHBondContact O-N 3.39Å; L179-N181 VanDerWaalsContact C-N 3.34Å; L179-N181 PolarHBondContact O-N 2.76Å; N181-R185 WeakPolarHBondContact O-CG 3.35Å; N181-R185 PolarHBondContact O-N 3.36Å; N181-R185 VanDerWaalsContact O-N 3.13Å; N181-R185 PolarHBondContact O-NE 3.05Å
182L95.6Very high93.6Very high0 Ų056.1 Ų56.10%027%0.267CS..Hα-helixtrans-60.7-48.3170.1-82.6169.6000111.2G178 L179 K184 R185 L186 M297 E300 L301 L304 W311G178-L182 PolarHBondContact O-N 2.95Å; L179-L182 PolarHBondContact O-N 3.26Å; L182-K184 PolarHBondContact O-N 3.32Å; L182-R185 VanDerWaalsContact CG-NH2 3.35Å; L182-R185 PolarHBondContact O-N 2.69Å; L182-L186 PolarHBondContact O-N 3.05Å; L182-M297 HydrophobicContact CD2-CB 4.01Å; L182-M297 HydrophobicContact CD2-CG 4.11Å; L182-E300 HydrophobicContact CD1-CB 4.27Å; L182-E300 HydrophobicContact CD1-CG 3.98Å; L182-E300 HydrophobicContact CD2-CB 4.22Å; L182-E300 HydrophobicContact CD2-CG 4.3Å; L182-E300 HydrophobicContact CG-CG 4.28Å; L182-L301 HydrophobicContact CD1-CB 4.16Å; L182-L301 HydrophobicContact CD1-CD1 4.17Å; L182-L304 HydrophobicContact CD1-CD1 3.72Å; L182-W311 HydrophobicContact CB-CH2 3.86Å; L182-W311 HydrophobicContact CB-CZ2 3.89Å
183A96.8Very high94.3Very high7 Ų756 Ų566%0.05826%0.262CS..Hα-helixtrans-58.6-49.3178.900000111.5L179 N180 R185 L186 Q187 W311 H496L179-A183 WeakPolarHBondContact O-CB 3.48Å; L179-A183 PolarHBondContact O-N 3.24Å; N180-A183 PolarHBondContact O-N 2.87Å; A183-R185 VanDerWaalsContact C-N 3.33Å; A183-R185 PolarHBondContact O-N 2.71Å; A183-L186 PolarHBondContact O-N 2.91Å; A183-Q187 WeakPolarHBondContact O-CB 3.41Å; A183-Q187 VanDerWaalsContact O-CG 3.25Å; A183-Q187 WeakPolarHBondContact O-CG 3.02Å; A183-Q187 PolarHBondContact O-N 3.36Å; A183-W311 HydrophobicContact CB-CH2 4.5Å; A183-W311 HydrophobicContact CB-CZ2 3.86Å; A183-H496 VanDerWaalsContact CB-CE1 3.41Å; A183-H496 WeakPolarHBondContact CB-CE1 3.47Å
184K96.8Very high94.9Very high127 Ų12750.7 Ų50.755%0.55224%0.238SC*.Hα-helixtrans-57.7-42.7176.7-74174.5-179.2179.20112.8N180 L182 K188N180-K184 PolarHBondContact ND2-NZ 2.96Å; N180-K184 WeakPolarHBondContact O-CG 3.28Å; N180-K184 PolarHBondContact O-N 3.21Å; L182-K184 PolarHBondContact O-N 3.32Å; K184-K188 VanDerWaalsContact O-CB 3.23Å; K184-K188 WeakPolarHBondContact O-CB 3.19Å; K184-K188 PolarHBondContact O-N 3.4Å
185R96.1Very high95.4Very high97 Ų9747.3 Ų47.337%0.36622%0.22SC..Hα-helixtrans-63.8-46.1176.2-79.1-178.6-68.6176.6-7.6111.6N181 L182 A183 K188 K189 M297 E300N181-R185 WeakPolarHBondContact O-CG 3.35Å; N181-R185 PolarHBondContact O-N 3.36Å; N181-R185 VanDerWaalsContact O-N 3.13Å; N181-R185 PolarHBondContact O-NE 3.05Å; L182-R185 VanDerWaalsContact CG-NH2 3.35Å; L182-R185 PolarHBondContact O-N 2.69Å; A183-R185 VanDerWaalsContact C-N 3.33Å; A183-R185 PolarHBondContact O-N 2.71Å; R185-K188 PolarHBondContact O-N 3.06Å; R185-K189 WeakPolarHBondContact O-CG 3.38Å; R185-K189 PolarHBondContact O-N 3.26Å; R185-M297 HydrophobicContact CB-CE 4.09Å; R185-E300 IonicContact CZ-OE2 3.51Å; R185-E300 IonicContact NH1-OE2 3.7Å; R185-E300 PolarHBondContact NH1-OE2 2.98Å; R185-E300 VanDerWaalsContact NH1-OE2 3.08Å; R185-E300 IonicContact NH2-OE1 3.61Å; R185-E300 PolarHBondContact NH2-OE1 2.98Å; R185-E300 IonicContact NH2-OE2 3.42Å; R185-E300 PolarHBondContact NH2-OE2 3.03Å
186L95.6Very high95.8Very high0 Ų045.6 Ų45.60%022%0.217CC..Hα-helixtrans-64.8-49.9179.6179.657.6000111.9L182 A183 K188 K189 I190 F230 P294 M297 W311 F312 Q315L182-L186 PolarHBondContact O-N 3.05Å; A183-L186 PolarHBondContact O-N 2.91Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.17Å; L186-K189 PolarHBondContact O-N 3.27Å; L186-K189 VanDerWaalsContact O-N 3.11Å; L186-I190 HydrophobicContact CD1-CD1 4.02Å; L186-I190 HydrophobicContact CD1-CG1 4.14Å; L186-I190 HydrophobicContact CG-CD1 3.92Å; L186-I190 HydrophobicContact CG-CG1 4.47Å; L186-I190 WeakPolarHBondContact O-CG1 3.4Å; L186-I190 PolarHBondContact O-N 3.44Å; L186-F230 HydrophobicContact CD1-CE1 3.97Å; L186-F230 HydrophobicContact CD1-CZ 3.8Å; L186-P294 HydrophobicContact CD1-CG 4.43Å; L186-M297 HydrophobicContact CB-CE 4.14Å; L186-M297 HydrophobicContact CB-SD 3.98Å; L186-M297 HydrophobicContact CD1-CE 4.45Å; L186-M297 HydrophobicContact CD1-SD 4.28Å; L186-W311 HydrophobicContact CB-CH2 4.46Å; L186-W311 HydrophobicContact CD2-CH2 4.03Å; L186-W311 HydrophobicContact CD2-CZ3 3.71Å; L186-F312 HydrophobicContact CD1-CE2 3.88Å; L186-F312 HydrophobicContact CD2-CD2 3.48Å; L186-F312 VanDerWaalsContact CD2-CD2 3.48Å; L186-F312 HydrophobicContact CD2-CE2 3.62Å; L186-F312 HydrophobicContact CG-CE2 4.4Å; L186-Q315 HydrophobicContact CD2-CB 3.68Å; L186-Q315 HydrophobicContact CD2-CG 3.92Å
187Q97.1Very high96Very high42 Ų4250.5 Ų50.520%0.19625%0.253CS..Hα-helixtrans-56.9-41.6176.8-68.5-63.6-34.500111.6A183 I190 Q191 Q315A183-Q187 WeakPolarHBondContact O-CB 3.41Å; A183-Q187 VanDerWaalsContact O-CG 3.25Å; A183-Q187 WeakPolarHBondContact O-CG 3.02Å; A183-Q187 PolarHBondContact O-N 3.36Å; Q187-I190 PolarHBondContact O-N 3.38Å; Q187-Q191 WeakPolarHBondContact O-CB 3.46Å; Q187-Q191 PolarHBondContact O-N 2.87Å; Q187-Q315 PolarHBondContact NE2-O 2.85Å
188K96.9Very high96.1Very high131 Ų13149.2 Ų49.257%0.5725%0.247SC*.Hα-helixtrans-61.3-48.1174.6179.4177.9171.2-179.20111.7K184 R185 L186 I190 Q191 E192K184-K188 VanDerWaalsContact O-CB 3.23Å; K184-K188 WeakPolarHBondContact O-CB 3.19Å; K184-K188 PolarHBondContact O-N 3.4Å; R185-K188 PolarHBondContact O-N 3.06Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.17Å; K188-I190 PolarHBondContact O-N 2.91Å; K188-Q191 PolarHBondContact O-N 2.92Å; K188-E192 WeakPolarHBondContact CE-OE1 3.44Å; K188-E192 HydrophobicContact CG-CG 4.39Å; K188-E192 IonicContact NZ-OE1 3.68Å; K188-E192 WeakPolarHBondContact O-CG 3.37Å; K188-E192 PolarHBondContact O-N 3.3Å
189K95.7Very high96.2Very high72 Ų7249.6 Ų49.631%0.31325%0.248SC..Hα-helixtrans-59.6-45.2177.4-76.1-169.5178-1690112.1R185 L186 E192 Q193 F230 D296 M297R185-K189 WeakPolarHBondContact O-CG 3.38Å; R185-K189 PolarHBondContact O-N 3.26Å; L186-K189 PolarHBondContact O-N 3.27Å; L186-K189 VanDerWaalsContact O-N 3.11Å; K189-E192 PolarHBondContact O-N 2.91Å; K189-Q193 WeakPolarHBondContact O-CB 3.45Å; K189-Q193 PolarHBondContact O-N 3.33Å; K189-F230 HydrophobicContact CB-CE2 3.99Å; K189-F230 HydrophobicContact CB-CZ 4Å; K189-F230 HydrophobicContact CD-CZ 4.28Å; K189-D296 IonicContact NZ-OD1 2.69Å; K189-D296 PolarHBondContact NZ-OD1 2.91Å; K189-D296 IonicContact NZ-OD2 3.21Å; K189-D296 PolarHBondContact NZ-OD2 2.84Å; K189-M297 HydrophobicContact CD-CE 3.83Å
190I96.2Very high96Very high1 Ų157.3 Ų57.31%0.00528%0.282CS..Hα-helixtrans-60.6-47.3177.3-62.4166.9000109.7L186 Q187 K188 E192 Q193 Q194 L226 F230 L316 Y319L186-I190 HydrophobicContact CD1-CD1 4.02Å; L186-I190 HydrophobicContact CD1-CG1 4.14Å; L186-I190 HydrophobicContact CG-CD1 3.92Å; L186-I190 HydrophobicContact CG-CG1 4.47Å; L186-I190 WeakPolarHBondContact O-CG1 3.4Å; L186-I190 PolarHBondContact O-N 3.44Å; Q187-I190 PolarHBondContact O-N 3.38Å; K188-I190 PolarHBondContact O-N 2.91Å; I190-E192 PolarHBondContact O-N 3.27Å; I190-Q193 PolarHBondContact O-N 2.92Å; I190-Q194 HydrophobicContact CG2-CG 4.21Å; I190-Q194 WeakPolarHBondContact O-CB 3.33Å; I190-Q194 VanDerWaalsContact O-CG 3.28Å; I190-Q194 WeakPolarHBondContact O-CG 3.22Å; I190-Q194 PolarHBondContact O-N 3.46Å; I190-L226 HydrophobicContact CG2-CD1 4.24Å; I190-F230 HydrophobicContact CG1-CD2 3.87Å; I190-F230 HydrophobicContact CG1-CE2 3.75Å; I190-F230 HydrophobicContact CG1-CZ 4.41Å; I190-L316 HydrophobicContact CD1-CD2 4.02Å; I190-Y319 HydrophobicContact CB-CD2 4.12Å; I190-Y319 HydrophobicContact CB-CE2 4.17Å; I190-Y319 HydrophobicContact CG2-CD1 3.75Å; I190-Y319 HydrophobicContact CG2-CD2 3.63Å; I190-Y319 HydrophobicContact CG2-CE1 3.75Å; I190-Y319 HydrophobicContact CG2-CE2 3.63Å; I190-Y319 HydrophobicContact CG2-CG 3.7Å
191Q97.3Very high95.8Very high49 Ų4963 Ų6323%0.22931%0.309CS..Hα-helixtrans-59.6-46.7177.7-17873.122.700112.1Q187 K188 Q194 N195 E260 Y319Q187-Q191 WeakPolarHBondContact O-CB 3.46Å; Q187-Q191 PolarHBondContact O-N 2.87Å; K188-Q191 PolarHBondContact O-N 2.92Å; Q191-Q194 PolarHBondContact O-N 3.4Å; Q191-N195 PolarHBondContact NE2-ND2 3.45Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.11Å; Q191-N195 WeakPolarHBondContact O-CB 3.4Å; Q191-N195 PolarHBondContact O-N 3.09Å; Q191-N195 VanDerWaalsContact O-N 3.13Å; Q191-N195 PolarHBondContact O-ND2 2.83Å; Q191-E260 PolarHBondContact NE2-OE1 3.13Å; Q191-Y319 HydrophobicContact CB-CE2 4.15Å; Q191-Y319 PolarHBondContact OE1-OH 2.95Å
192E96.6Very high95.7Very high111 Ų11160 Ų6052%0.51930%0.295SS..Hα-helixtrans-61.8-44.8179.3-74.5173.3161.200111.2K188 K189 I190 N195K188-E192 WeakPolarHBondContact CE-OE1 3.44Å; K188-E192 HydrophobicContact CG-CG 4.39Å; K188-E192 IonicContact NZ-OE1 3.68Å; K188-E192 WeakPolarHBondContact O-CG 3.37Å; K188-E192 PolarHBondContact O-N 3.3Å; K189-E192 PolarHBondContact O-N 2.91Å; I190-E192 PolarHBondContact O-N 3.27Å; E192-N195 CarbonylContact O-C 3.59Å; E192-N195 PolarHBondContact O-N 2.9Å
193Q95.9Very high95.8Very high38 Ų3865.6 Ų65.618%0.17832%0.319CS..Hα-helixtrans-65.6-41.3178.1-174.9177.1-46.200112.5K189 I190 N195 A229 F230 R234 V235K189-Q193 WeakPolarHBondContact O-CB 3.45Å; K189-Q193 PolarHBondContact O-N 3.33Å; I190-Q193 PolarHBondContact O-N 2.92Å; Q193-N195 PolarHBondContact O-N 2.81Å; Q193-A229 VanDerWaalsContact NE2-C 3.27Å; Q193-A229 PolarHBondContact NE2-O 3.27Å; Q193-F230 PolarHBondContact OE1-O 3.36Å; Q193-R234 VanDerWaalsContact NE2-N 3.19Å; Q193-R234 PolarHBondContact NE2-O 3.43Å; Q193-V235 WeakPolarHBondContact O-CG2 3.29Å
194Q97.7Very high95.7Very high1 Ų165.3 Ų65.31%0.00532%0.316CS..Hα-helixtrans-71.1-14.6177.9-68.6-59.6-45.100112.9I190 Q191 P196 L226 L236 L258 S259 Y319I190-Q194 HydrophobicContact CG2-CG 4.21Å; I190-Q194 WeakPolarHBondContact O-CB 3.33Å; I190-Q194 VanDerWaalsContact O-CG 3.28Å; I190-Q194 WeakPolarHBondContact O-CG 3.22Å; I190-Q194 PolarHBondContact O-N 3.46Å; Q191-Q194 PolarHBondContact O-N 3.4Å; Q194-P196 VanDerWaalsContact C-CD 3.43Å; Q194-P196 WeakPolarHBondContact O-CD 3.41Å; Q194-L226 HydrophobicContact CG-CD1 4.46Å; Q194-L236 VanDerWaalsContact NE2-N 3.15Å; Q194-L236 PolarHBondContact OE1-O 3.11Å; Q194-L258 WeakPolarHBondContact CB-O 3.14Å; Q194-S259 WeakPolarHBondContact O-CB 3.24Å; Q194-S259 PolarHBondContact O-OG 3.48Å; Q194-Y319 WeakPolarHBondContact CB-OH 3.45Å; Q194-Y319 HydrophobicContact CG-CE1 4.09Å
195N97.6Very high95.6Very high17 Ų1759.2 Ų59.29%0.09129%0.29CS..SBendtrans-126.761.5-174.8-64.7-83000112.4Q191 E192 Q193 S259 E260 K261Q191-N195 PolarHBondContact NE2-ND2 3.45Å; Q191-N195 VanDerWaalsContact NE2-ND2 3.11Å; Q191-N195 WeakPolarHBondContact O-CB 3.4Å; Q191-N195 PolarHBondContact O-N 3.09Å; Q191-N195 VanDerWaalsContact O-N 3.13Å; Q191-N195 PolarHBondContact O-ND2 2.83Å; E192-N195 CarbonylContact O-C 3.59Å; E192-N195 PolarHBondContact O-N 2.9Å; Q193-N195 PolarHBondContact O-N 2.81Å; N195-S259 PolarHBondContact OD1-OG 3.38Å; N195-E260 WeakPolarHBondContact OD1-CB 3.15Å; N195-E260 PolarHBondContact OD1-N 2.85Å; N195-K261 HydrophobicContact CB-CD 4.12Å; N195-K261 HydrophobicContact CB-CG 4.46Å; N195-K261 PolarHBondContact O-NZ 3.09Å
196P96.8Very high95.4Very high29 Ų2954.7 Ų54.719%0.18827%0.273CS..  trans-58.3163.5-179.428.8-37.2000111.9Q194 D198 A202 V235 K261 C262Q194-P196 VanDerWaalsContact C-CD 3.43Å; Q194-P196 WeakPolarHBondContact O-CD 3.41Å; P196-D198 VanDerWaalsContact C-N 3.32Å; P196-A202 HydrophobicContact CB-CB 4.22Å; P196-A202 HydrophobicContact CG-CB 3.72Å; P196-V235 HydrophobicContact CG-CG2 3.76Å; P196-K261 WeakPolarHBondContact O-CD 3.45Å; P196-K261 PolarHBondContact O-NZ 3.47Å; P196-C262 VanDerWaalsContact CG-SG 3.53Å
197S95Very high95.1Very high126 Ų12655.2 Ų55.288%0.88128%0.275SS*.SBendtrans-65.8-35.1175.547.40000112.5
198D94.5Very high94.3Very high67 Ų6755.1 Ų55.136%0.35828%0.276SS..  trans-137.3111.7180-175.6-2.2000111.2P196 K200 M201 A202P196-D198 VanDerWaalsContact C-N 3.32Å; D198-K200 PolarHBondContact O-N 2.95Å; D198-K200 VanDerWaalsContact OD1-CB 3.32Å; D198-K200 WeakPolarHBondContact OD1-CB 3.49Å; D198-K200 PolarHBondContact OD1-N 3.25Å; D198-M201 HydrophobicContact CB-CB 4.41Å; D198-M201 HydrophobicContact CB-CG 4.43Å; D198-M201 PolarHBondContact O-N 3.06Å; D198-M201 WeakPolarHBondContact OD2-CG 3.33Å; D198-A202 PolarHBondContact O-N 3.48Å
199C95Very high93Very high16 Ų1649 Ų4911%0.10825%0.249CC..THydrogen-bonded Turntrans-65.2-22.6177.7-62.80000112.7Y204 C262 D266C199-Y204 WeakPolarHBondContact CA-OH 3.44Å; C199-Y204 WeakPolarHBondContact CB-OH 3.1Å; C199-Y204 PolarHBondContact O-OH 3.32Å; C199-C262 HydrophobicContact CB-CB 3.86Å; C199-C262 WeakPolarHBondContact CB-SG 3.12Å; C199-C262 WeakPolarHBondContact SG-CA 3.36Å; C199-C262 WeakPolarHBondContact SG-CB 3.28Å; C199-C262 PolarHBondContact SG-N 3.02Å; C199-C262 VanDerWaalsContact SG-N 3.42Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.29Å; C199-D266 HydrophobicContact CB-CB 4.42Å
200K90.9Very high91.5Very high163 Ų16348.3 Ų48.371%0.70925%0.251SS*.THydrogen-bonded Turntrans-71.1-33.9177-62.1-179.1179.51790111.9D198 R270D198-K200 PolarHBondContact O-N 2.95Å; D198-K200 VanDerWaalsContact OD1-CB 3.32Å; D198-K200 WeakPolarHBondContact OD1-CB 3.49Å; D198-K200 PolarHBondContact OD1-N 3.25Å; K200-R270 PolarHBondContact O-NH1 3.49Å
201M91.6Very high89.7Confident155 Ų15550.7 Ų50.776%0.76426%0.264SS*.THydrogen-bonded Turntrans-89.2-16.8179.3-64.4-64.2-178.600113.3D198D198-M201 HydrophobicContact CB-CB 4.41Å; D198-M201 HydrophobicContact CB-CG 4.43Å; D198-M201 PolarHBondContact O-N 3.06Å; D198-M201 WeakPolarHBondContact OD2-CG 3.33Å
202A95Very high88Confident12 Ų1257.1 Ų57.110%0.09929%0.292CS..  trans-63.5153.9178.100000111.9P196 D198 Y204 V235 R270P196-A202 HydrophobicContact CB-CB 4.22Å; P196-A202 HydrophobicContact CG-CB 3.72Å; D198-A202 PolarHBondContact O-N 3.48Å; A202-Y204 HydrophobicContact CB-CE2 4.25Å; A202-Y204 WeakPolarHBondContact O-CE2 3.25Å; A202-V235 HydrophobicContact CB-CG2 4.05Å; A202-R270 PolarHBondContact O-NH1 2.81Å; A202-R270 PolarHBondContact O-NH2 2.88Å
203K96.2Very high87Confident117 Ų11754.3 Ų54.351%0.50928%0.283SS..  trans-104.4150.7170.5-67.7-179.1-179.7172.50109.2R234 V235K203-R234 HydrophobicContact CB-CG 3.65Å; K203-R234 CarbonylContact O-C 3.49Å; K203-R234 VanDerWaalsContact O-CA 3.32Å; K203-R234 WeakPolarHBondContact O-CA 3.16Å; K203-R234 WeakPolarHBondContact O-CB 3.43Å; K203-V235 PolarHBondContact O-N 2.87Å
204Y96.3Very high86.1Confident0 Ų054.6 Ų54.60%030%0.296CS..EExtended strand (participates in β ladder)trans-121.9148.1-170.9-62.6-81000113.7C199 A202 R234 V235 V237 C262 D266 T267 I274C199-Y204 WeakPolarHBondContact CA-OH 3.44Å; C199-Y204 WeakPolarHBondContact CB-OH 3.1Å; C199-Y204 PolarHBondContact O-OH 3.32Å; A202-Y204 HydrophobicContact CB-CE2 4.25Å; A202-Y204 WeakPolarHBondContact O-CE2 3.25Å; Y204-R234 PolarHBondContact O-NH1 3.25Å; Y204-V235 CarbonylContact C-O 3.58Å; Y204-V235 WeakPolarHBondContact CA-O 3.43Å; Y204-V235 HydrophobicContact CD1-CB 3.72Å; Y204-V235 HydrophobicContact CD1-CG1 4.23Å; Y204-V235 HydrophobicContact CE1-CB 3.72Å; Y204-V235 HydrophobicContact CE1-CG1 4.02Å; Y204-V235 HydrophobicContact CE1-CG2 4.25Å; Y204-V237 HydrophobicContact CD1-CB 4.25Å; Y204-V237 HydrophobicContact CD1-CG2 3.47Å; Y204-V237 VanDerWaalsContact CD1-CG2 3.47Å; Y204-V237 HydrophobicContact CE1-CG2 3.63Å; Y204-C262 HydrophobicContact CE1-CB 4.05Å; Y204-D266 HydrophobicContact CE1-CB 4.5Å; Y204-D266 HydrophobicContact CE2-CB 4.31Å; Y204-D266 WeakPolarHBondContact OH-CB 3.47Å; Y204-T267 HydrophobicContact CD1-CG2 3.84Å; Y204-T267 HydrophobicContact CD2-CG2 4.13Å; Y204-T267 HydrophobicContact CE1-CG2 4.3Å; Y204-T267 HydrophobicContact CG-CG2 3.74Å; Y204-I274 PolarHBondContact O-N 3.12Å
205V94.4Very high85.5Confident0 Ų055.4 Ų55.40%030%0.3CS..EExtended strand (participates in β ladder)trans-103.8129.5150172.80000106.5L228 A229 R234 V235 L236 V237 I274 C276V205-L228 HydrophobicContact CG1-CD2 4.26Å; V205-L228 HydrophobicContact CG2-CG 4.4Å; V205-A229 HydrophobicContact CB-CB 3.86Å; V205-A229 HydrophobicContact CG2-CB 3.8Å; V205-R234 HydrophobicContact CG2-CB 3.96Å; V205-V235 PolarHBondContact N-O 3.24Å; V205-L236 HydrophobicContact CB-CD1 4.29Å; V205-L236 HydrophobicContact CG1-CD1 3.96Å; V205-L236 WeakPolarHBondContact O-CA 3.23Å; V205-V237 PolarHBondContact O-N 3.3Å; V205-I274 CarbonylContact C-O 3.54Å; V205-I274 VanDerWaalsContact CA-O 3.25Å; V205-I274 WeakPolarHBondContact CA-O 3.37Å; V205-I274 HydrophobicContact CG2-CB 4.08Å; V205-I274 HydrophobicContact CG2-CG2 4.33Å; V205-C276 HydrophobicContact CG1-CB 4.06Å
206T92.1Very high85Confident2 Ų254.8 Ų54.81%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-107.3137.6178.861.70000110.4V237 K239 T267 N273 I274 C276T206-V237 CarbonylContact C-O 3.51Å; T206-V237 VanDerWaalsContact CA-O 3.3Å; T206-V237 WeakPolarHBondContact CA-O 3.49Å; T206-K239 VanDerWaalsContact CB-CE 3.44Å; T206-K239 WeakPolarHBondContact OG1-CE 3.48Å; T206-T267 HydrophobicContact CG2-CG2 3.93Å; T206-N273 HydrophobicContact CG2-CB 4.1Å; T206-I274 PolarHBondContact N-O 2.96Å; T206-C276 WeakPolarHBondContact O-CB 3.49Å; T206-C276 PolarHBondContact O-N 3.47Å
207F88.3Confident84.4Confident10 Ų1054 Ų544%0.04429%0.293CS..EExtended strand (participates in β ladder)trans-126.3124.9177.5178-137.3000110.2Y209 Q221 L222 C225 L236 V237 V238 K239 C276F207-Y209 HydrophobicContact CD1-CD1 4.42Å; F207-Y209 AromaticContact CD1-CE1 4Å; F207-Y209 HydrophobicContact CD1-CE1 4Å; F207-Y209 HydrophobicContact CD1-CE2 4.16Å; F207-Y209 AromaticContact CD1-CZ 3.86Å; F207-Y209 AromaticContact CE1-CD1 3.61Å; F207-Y209 HydrophobicContact CE1-CD1 3.61Å; F207-Y209 HydrophobicContact CE1-CD2 4.47Å; F207-Y209 AromaticContact CE1-CE1 3.15Å; F207-Y209 HydrophobicContact CE1-CE1 3.15Å; F207-Y209 HydrophobicContact CE1-CE2 4.13Å; F207-Y209 HydrophobicContact CE1-CG 4.23Å; F207-Y209 AromaticContact CE1-CZ 3.46Å; F207-Y209 VanDerWaalsContact CE1-CZ 3.46Å; F207-Y209 AromaticContact CZ-CD1 3.87Å; F207-Y209 HydrophobicContact CZ-CD1 3.87Å; F207-Y209 AromaticContact CZ-CE1 3.8Å; F207-Y209 HydrophobicContact CZ-CE1 3.8Å; F207-Q221 HydrophobicContact CE2-CG 3.56Å; F207-Q221 HydrophobicContact CZ-CB 4.2Å; F207-Q221 HydrophobicContact CZ-CG 3.52Å; F207-L222 HydrophobicContact CD1-CD1 3.68Å; F207-L222 HydrophobicContact CE1-CB 4.06Å; F207-L222 HydrophobicContact CE1-CD1 3.93Å; F207-C225 HydrophobicContact CB-CB 4.35Å; F207-C225 WeakPolarHBondContact CD2-SG 3.34Å; F207-C225 HydrophobicContact CG-CB 4.39Å; F207-L236 HydrophobicContact CB-CD1 4.15Å; F207-V237 PolarHBondContact N-O 3.3Å; F207-V238 CarbonylContact O-C 3.56Å; F207-V238 WeakPolarHBondContact O-CA 3.43Å; F207-K239 PolarHBondContact O-N 2.88Å; F207-C276 HydrophobicContact CB-CB 4.26Å; F207-C276 HydrophobicContact CD2-CB 4.17Å
208D80.3Confident83.9Confident40 Ų4048.2 Ų48.221%0.21425%0.252CS..  trans-104.6123.7174-176.63000109.5T210 K239 Y278D208-T210 PolarHBondContact O-N 3.03Å; D208-K239 HydrophobicContact CB-CB 4.42Å; D208-K239 HydrophobicContact CB-CD 4.15Å; D208-Y278 HydrophobicContact CB-CE1 3.82Å; D208-Y278 VanDerWaalsContact CB-OH 3.27Å; D208-Y278 WeakPolarHBondContact CB-OH 3.11Å; D208-Y278 WeakPolarHBondContact O-CE1 3.16Å
209Y70.5Confident83.6Confident3 Ų345 Ų451%0.01224%0.235CC..  trans-76.768.1174-74-72.5000110.1F207 N211 L222 V238 Y241 D245 F247 H248 L251F207-Y209 HydrophobicContact CD1-CD1 4.42Å; F207-Y209 AromaticContact CD1-CE1 4Å; F207-Y209 HydrophobicContact CD1-CE1 4Å; F207-Y209 HydrophobicContact CD1-CE2 4.16Å; F207-Y209 AromaticContact CD1-CZ 3.86Å; F207-Y209 AromaticContact CE1-CD1 3.61Å; F207-Y209 HydrophobicContact CE1-CD1 3.61Å; F207-Y209 HydrophobicContact CE1-CD2 4.47Å; F207-Y209 AromaticContact CE1-CE1 3.15Å; F207-Y209 HydrophobicContact CE1-CE1 3.15Å; F207-Y209 HydrophobicContact CE1-CE2 4.13Å; F207-Y209 HydrophobicContact CE1-CG 4.23Å; F207-Y209 AromaticContact CE1-CZ 3.46Å; F207-Y209 VanDerWaalsContact CE1-CZ 3.46Å; F207-Y209 AromaticContact CZ-CD1 3.87Å; F207-Y209 HydrophobicContact CZ-CD1 3.87Å; F207-Y209 AromaticContact CZ-CE1 3.8Å; F207-Y209 HydrophobicContact CZ-CE1 3.8Å; Y209-N211 VanDerWaalsContact C-N 3.27Å; Y209-N211 PolarHBondContact O-N 2.69Å; Y209-L222 WeakPolarHBondContact OH-CD1 3.42Å; Y209-L222 VanDerWaalsContact OH-CD2 3.31Å; Y209-L222 WeakPolarHBondContact OH-CD2 3.29Å; Y209-V238 HydrophobicContact CD2-CG1 3.31Å; Y209-V238 HydrophobicContact CE2-CB 4.1Å; Y209-V238 HydrophobicContact CE2-CG1 3.23Å; Y209-V238 HydrophobicContact CE2-CG2 3.7Å; Y209-Y241 WeakPolarHBondContact O-CE2 3.34Å; Y209-D245 WeakPolarHBondContact CB-OD2 3.44Å; Y209-D245 VanDerWaalsContact O-OD2 3.05Å; Y209-F247 AromaticContact CD1-CD1 3.93Å; Y209-F247 HydrophobicContact CD1-CD1 3.93Å; Y209-F247 HydrophobicContact CD1-CE1 4.32Å; Y209-F247 AromaticContact CE1-CD1 3.46Å; Y209-F247 HydrophobicContact CE1-CD1 3.46Å; Y209-F247 VanDerWaalsContact CE1-CD1 3.46Å; Y209-F247 AromaticContact CE1-CE1 3.4Å; Y209-F247 HydrophobicContact CE1-CE1 3.4Å; Y209-F247 VanDerWaalsContact CE1-CE1 3.4Å; Y209-F247 AromaticContact CZ-CE1 3.82Å; Y209-H248 HydrophobicContact CD2-CB 3.84Å; Y209-H248 AromaticContact CD2-CG 3.91Å; Y209-H248 AromaticContact CD2-ND1 3.35Å; Y209-H248 VanDerWaalsContact CD2-ND1 3.35Å; Y209-H248 WeakPolarHBondContact CD2-ND1 3.4Å; Y209-H248 HydrophobicContact CE2-CB 4.31Å; Y209-H248 AromaticContact CE2-ND1 3.49Å; Y209-H248 WeakPolarHBondContact CE2-ND1 3.31Å; Y209-H248 HydrophobicContact CG-CB 4.22Å; Y209-L251 WeakPolarHBondContact OH-CD2 3.22Å
210T64.2Low83.3Confident57 Ų5744.6 Ų44.635%0.3523%0.232SC..  trans-84.783.2160.744.20000107.4D208 F212 Y278D208-T210 PolarHBondContact O-N 3.03Å; T210-F212 WeakPolarHBondContact O-CD2 3.34Å; T210-F212 WeakPolarHBondContact O-CE2 3.22Å; T210-F212 PolarHBondContact O-N 3.16Å; T210-Y278 WeakPolarHBondContact OG1-CD1 3.43Å; T210-Y278 WeakPolarHBondContact OG1-CE1 3.26Å
211N57Low83Confident51 Ų5138.1 Ų38.127%0.27320%0.204SC..  trans-63114.4-174.6-100.3-25.7000112.5Y209 S218 D245Y209-N211 VanDerWaalsContact C-N 3.27Å; Y209-N211 PolarHBondContact O-N 2.69Å; N211-S218 PolarHBondContact OD1-OG 3.06Å; N211-D245 VanDerWaalsContact CG-OD2 3.25Å; N211-D245 PolarHBondContact ND2-OD1 3.47Å; N211-D245 PolarHBondContact ND2-OD2 2.98Å
212F62.6Low82.9Confident185 Ų18530.8 Ų30.881%0.81117%0.168SC*.  trans-110.6-0.5168.3-63.3-74.8000113.4T210T210-F212 WeakPolarHBondContact O-CD2 3.34Å; T210-F212 WeakPolarHBondContact O-CE2 3.22Å; T210-F212 PolarHBondContact O-N 3.16Å
213C75.4Confident82.7Confident51 Ų5130.5 Ų30.535%0.34517%0.165SC..SBendtrans-143.6171.2-176.162.20000112.8C217C213-C217 HydrophobicContact CB-CB 3.53Å; C213-C217 WeakPolarHBondContact CB-SG 3.44Å; C213-C217 WeakPolarHBondContact SG-CB 3.25Å; C213-C217 CovalentContact SG-SG 2.03Å; C213-C217 PolarHBondContact SG-SG 3.26Å
214G77.1Confident82.3Confident44 Ų4426.7 Ų26.745%0.45415%0.148SC..  trans-76.5170.4-178.700000114.4G216 C217 S218G214-G216 PolarHBondContact O-N 2.84Å; G214-G216 VanDerWaalsContact O-N 3.14Å; G214-C217 WeakPolarHBondContact O-CA 3.5Å; G214-C217 WeakPolarHBondContact O-CB 3.19Å; G214-C217 PolarHBondContact O-N 3.27Å; G214-S218 PolarHBondContact O-N 2.99Å; G214-S218 VanDerWaalsContact O-N 3.13Å; G214-S218 PolarHBondContact O-OG 3.32Å
215F85.7Confident82Confident18 Ų1826.7 Ų26.78%0.07915%0.148CC..Hα-helixtrans-38.6-55.9-175.3167-118.7000115.6C217 S218 M219 F247 M460 A463 V464 V467 I484 L487F215-C217 VanDerWaalsContact C-N 3.26Å; F215-C217 PolarHBondContact O-N 3.13Å; F215-S218 PolarHBondContact O-N 3.36Å; F215-M219 HydrophobicContact CD2-CG 3.75Å; F215-M219 HydrophobicContact CE1-CG 4.47Å; F215-M219 HydrophobicContact CE2-CG 3.18Å; F215-M219 HydrophobicContact CE2-SD 3.86Å; F215-M219 HydrophobicContact CZ-CG 3.59Å; F215-M219 HydrophobicContact CZ-SD 4.38Å; F215-M219 PolarHBondContact O-N 3.37Å; F215-F247 AromaticContact CD2-CD2 3.77Å; F215-F247 HydrophobicContact CD2-CD2 3.77Å; F215-F247 AromaticContact CD2-CE2 3.57Å; F215-F247 HydrophobicContact CD2-CE2 3.57Å; F215-F247 HydrophobicContact CD2-CZ 4.48Å; F215-F247 HydrophobicContact CE2-CD2 4.26Å; F215-F247 AromaticContact CE2-CE2 3.63Å; F215-F247 HydrophobicContact CE2-CE2 3.63Å; F215-F247 HydrophobicContact CE2-CZ 4.46Å; F215-M460 HydrophobicContact CB-CE 4.15Å; F215-M460 HydrophobicContact CB-SD 3.64Å; F215-M460 HydrophobicContact CD2-SD 3.45Å; F215-M460 WeakPolarHBondContact CD2-SD 3.43Å; F215-M460 HydrophobicContact CE2-SD 4.34Å; F215-M460 HydrophobicContact CG-SD 3.69Å; F215-A463 HydrophobicContact CD1-CB 4.22Å; F215-V464 HydrophobicContact CD1-CG2 4.48Å; F215-V464 HydrophobicContact CD2-CG2 4.23Å; F215-V464 HydrophobicContact CE1-CG2 3.82Å; F215-V464 HydrophobicContact CE2-CG2 3.51Å; F215-V464 HydrophobicContact CZ-CB 4.23Å; F215-V464 HydrophobicContact CZ-CG2 3.3Å; F215-V467 HydrophobicContact CE1-CG2 4.04Å; F215-I484 HydrophobicContact CD1-CD1 3.7Å; F215-I484 HydrophobicContact CE1-CD1 4.31Å; F215-L487 HydrophobicContact CE1-CD2 3.98Å; F215-L487 HydrophobicContact CZ-CD2 3.94Å
216G85.8Confident81.9Confident4 Ų426.8 Ų26.84%0.04115%0.148CC..Hα-helixtrans-59.8-38.1-177.400000112.5G214 M219 H220G214-G216 PolarHBondContact O-N 2.84Å; G214-G216 VanDerWaalsContact O-N 3.14Å; G216-M219 PolarHBondContact O-N 2.97Å; G216-H220 PolarHBondContact O-N 3.42Å; G216-H220 VanDerWaalsContact O-N 3.11Å; G216-H220 PolarHBondContact O-ND1 3.36Å
217C83.7Confident81.8Confident13 Ų1327.2 Ų27.29%0.08815%0.15CC..Hα-helixtrans-67.7-45.5176168.20000112.1C213 G214 F215 M219 H220 Q221 W288C213-C217 HydrophobicContact CB-CB 3.53Å; C213-C217 WeakPolarHBondContact CB-SG 3.44Å; C213-C217 WeakPolarHBondContact SG-CB 3.25Å; C213-C217 CovalentContact SG-SG 2.03Å; C213-C217 PolarHBondContact SG-SG 3.26Å; G214-C217 WeakPolarHBondContact O-CA 3.5Å; G214-C217 WeakPolarHBondContact O-CB 3.19Å; G214-C217 PolarHBondContact O-N 3.27Å; F215-C217 VanDerWaalsContact C-N 3.26Å; F215-C217 PolarHBondContact O-N 3.13Å; C217-M219 VanDerWaalsContact C-N 3.28Å; C217-M219 PolarHBondContact O-N 3.4Å; C217-H220 PolarHBondContact O-N 3.25Å; C217-Q221 PolarHBondContact O-N 3.09Å; C217-W288 HydrophobicContact CB-CH2 3.66Å; C217-W288 HydrophobicContact CB-CZ3 4.31Å
218S84.9Confident81.8Confident4 Ų428.3 Ų28.33%0.02816%0.156CC..Hα-helixtrans-61.5-36.5176.2-48.50000112.3N211 G214 F215 L222N211-S218 PolarHBondContact OD1-OG 3.06Å; G214-S218 PolarHBondContact O-N 2.99Å; G214-S218 VanDerWaalsContact O-N 3.13Å; G214-S218 PolarHBondContact O-OG 3.32Å; F215-S218 PolarHBondContact O-N 3.36Å; S218-L222 PolarHBondContact O-N 3.29Å
219M88.8Confident82.4Confident0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-63.4-48.9174.3-84-62.8-51.200112.5F215 G216 C217 Q221 L222 M223 F247 I320 L321 L487F215-M219 HydrophobicContact CD2-CG 3.75Å; F215-M219 HydrophobicContact CE1-CG 4.47Å; F215-M219 HydrophobicContact CE2-CG 3.18Å; F215-M219 HydrophobicContact CE2-SD 3.86Å; F215-M219 HydrophobicContact CZ-CG 3.59Å; F215-M219 HydrophobicContact CZ-SD 4.38Å; F215-M219 PolarHBondContact O-N 3.37Å; G216-M219 PolarHBondContact O-N 2.97Å; C217-M219 VanDerWaalsContact C-N 3.28Å; C217-M219 PolarHBondContact O-N 3.4Å; M219-Q221 VanDerWaalsContact C-N 3.31Å; M219-Q221 PolarHBondContact O-N 3.16Å; M219-L222 PolarHBondContact O-N 3.05Å; M219-M223 VanDerWaalsContact O-CG 3.28Å; M219-M223 WeakPolarHBondContact O-CG 3.4Å; M219-M223 PolarHBondContact O-N 3.28Å; M219-F247 HydrophobicContact CG-CE2 4.18Å; M219-F247 HydrophobicContact CG-CZ 3.94Å; M219-F247 HydrophobicContact SD-CE2 3.93Å; M219-F247 HydrophobicContact SD-CZ 3.48Å; M219-F247 WeakPolarHBondContact SD-CZ 3.31Å; M219-I320 HydrophobicContact CE-CB 4.27Å; M219-I320 HydrophobicContact CE-CG2 3.67Å; M219-I320 HydrophobicContact SD-CG2 4.06Å; M219-L321 HydrophobicContact CE-CD1 3.82Å; M219-L321 HydrophobicContact CE-CD2 3.89Å; M219-L321 HydrophobicContact CE-CG 3.66Å; M219-L321 HydrophobicContact SD-CD2 3.86Å; M219-L321 HydrophobicContact SD-CG 4.33Å; M219-L487 HydrophobicContact CB-CD2 3.93Å; M219-L487 HydrophobicContact CE-CD1 4.44Å; M219-L487 HydrophobicContact CG-CD2 3.93Å
220H87.8Confident83.4Confident7 Ų727.5 Ų27.53%0.03215%0.151CC..Hα-helixtrans-63.9-36.9177.8-76121.5000112.4G216 C217 M223 F224 W288 N483 E490G216-H220 PolarHBondContact O-N 3.42Å; G216-H220 VanDerWaalsContact O-N 3.11Å; G216-H220 PolarHBondContact O-ND1 3.36Å; C217-H220 PolarHBondContact O-N 3.25Å; H220-M223 PolarHBondContact O-N 2.96Å; H220-F224 WeakPolarHBondContact O-CB 3.38Å; H220-F224 PolarHBondContact O-N 3.11Å; H220-W288 HydrophobicContact CB-CD2 4.41Å; H220-W288 HydrophobicContact CB-CE3 3.29Å; H220-W288 HydrophobicContact CB-CH2 4.44Å; H220-W288 HydrophobicContact CB-CZ3 3.3Å; H220-W288 AromaticContact CG-CE3 3.43Å; H220-W288 VanDerWaalsContact CG-CE3 3.43Å; H220-W288 AromaticContact CG-CZ3 3.56Å; H220-W288 AromaticContact ND1-CE3 3.51Å; H220-W288 AromaticContact ND1-CZ3 3.36Å; H220-W288 WeakPolarHBondContact ND1-CZ3 3.46Å; H220-N483 PolarHBondContact CE1-O 3.43Å; H220-E490 IonicContact CD2-OE1 3.37Å; H220-E490 IonicContact CD2-OE2 3.51Å; H220-E490 IonicContact CE1-OE1 2.68Å; H220-E490 IonicContact CE1-OE2 2.78Å; H220-E490 VanDerWaalsContact NE2-CD 3.27Å; H220-E490 IonicContact NE2-OE1 3.59Å; H220-E490 PolarHBondContact NE2-OE1 3.33Å; H220-E490 IonicContact NE2-OE2 2.72Å; H220-E490 PolarHBondContact NE2-OE2 3.26Å
221Q84.7Confident84.5Confident28 Ų2826.4 Ų26.413%0.13114%0.142CC..Hα-helixtrans-61.8-44.8172.1-175.864.832.300111.4F207 C217 M219 M223 F224 C225 P277F207-Q221 HydrophobicContact CE2-CG 3.56Å; F207-Q221 HydrophobicContact CZ-CB 4.2Å; F207-Q221 HydrophobicContact CZ-CG 3.52Å; C217-Q221 PolarHBondContact O-N 3.09Å; M219-Q221 VanDerWaalsContact C-N 3.31Å; M219-Q221 PolarHBondContact O-N 3.16Å; Q221-M223 VanDerWaalsContact C-N 3.35Å; Q221-M223 PolarHBondContact O-N 3.36Å; Q221-F224 WeakPolarHBondContact O-CB 3.2Å; Q221-F224 PolarHBondContact O-N 2.65Å; Q221-C225 PolarHBondContact O-N 3.47Å; Q221-C225 PolarHBondContact O-SG 3.01Å; Q221-P277 PolarHBondContact NE2-O 3Å
222L89.5Confident86.1Confident0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-63.3-41176.4179.765.8000111.9F207 Y209 S218 M219 F224 C225 L226 L236 V238 L251 L258 I320F207-L222 HydrophobicContact CD1-CD1 3.68Å; F207-L222 HydrophobicContact CE1-CB 4.06Å; F207-L222 HydrophobicContact CE1-CD1 3.93Å; Y209-L222 WeakPolarHBondContact OH-CD1 3.42Å; Y209-L222 VanDerWaalsContact OH-CD2 3.31Å; Y209-L222 WeakPolarHBondContact OH-CD2 3.29Å; S218-L222 PolarHBondContact O-N 3.29Å; M219-L222 PolarHBondContact O-N 3.05Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.38Å; L222-C225 PolarHBondContact O-N 2.91Å; L222-L226 WeakPolarHBondContact O-CB 3.05Å; L222-L226 PolarHBondContact O-N 2.8Å; L222-L236 HydrophobicContact CD1-CD2 3.8Å; L222-V238 HydrophobicContact CD1-CG2 4.42Å; L222-L251 HydrophobicContact CD2-CD2 3.94Å; L222-L258 HydrophobicContact CD1-CD1 4.03Å; L222-I320 HydrophobicContact CB-CD1 4.34Å; L222-I320 HydrophobicContact CD2-CB 4.25Å; L222-I320 HydrophobicContact CD2-CD1 3.74Å; L222-I320 HydrophobicContact CD2-CG1 3.87Å; L222-I320 HydrophobicContact CD2-CG2 3.36Å; L222-I320 HydrophobicContact CG-CD1 3.72Å; L222-I320 HydrophobicContact CG-CG1 4.25Å
223M91.2Very high87.4Confident7 Ų724.2 Ų24.23%0.03413%0.134CC..Hα-helixtrans-59.8-43.6174.9-70.9163.855.200111.3M219 H220 Q221 L226 Q227 A313 L316 A317 I320 L487 E490M219-M223 VanDerWaalsContact O-CG 3.28Å; M219-M223 WeakPolarHBondContact O-CG 3.4Å; M219-M223 PolarHBondContact O-N 3.28Å; H220-M223 PolarHBondContact O-N 2.96Å; Q221-M223 VanDerWaalsContact C-N 3.35Å; Q221-M223 PolarHBondContact O-N 3.36Å; M223-L226 PolarHBondContact O-N 2.82Å; M223-Q227 PolarHBondContact O-N 3.03Å; M223-A313 HydrophobicContact CE-CB 3.83Å; M223-A313 VanDerWaalsContact CE-O 3.29Å; M223-A313 WeakPolarHBondContact CE-O 3.27Å; M223-L316 HydrophobicContact CB-CB 4.36Å; M223-L316 HydrophobicContact CG-CB 4.28Å; M223-A317 HydrophobicContact CE-CB 4.12Å; M223-A317 HydrophobicContact CG-CB 4.5Å; M223-A317 HydrophobicContact SD-CB 3.81Å; M223-I320 HydrophobicContact CB-CD1 4.34Å; M223-I320 HydrophobicContact CG-CD1 3.61Å; M223-L487 HydrophobicContact SD-CD1 3.94Å; M223-E490 WeakPolarHBondContact CE-OE2 3.28Å
224F87Confident88.4Confident37 Ų3723.5 Ų23.516%0.16212%0.124CC..Hα-helixtrans-60.6-47174.2171.6-97.4000111.8H220 Q221 L222 L226 Q227 L228 P277 L283 H286H220-F224 WeakPolarHBondContact O-CB 3.38Å; H220-F224 PolarHBondContact O-N 3.11Å; Q221-F224 WeakPolarHBondContact O-CB 3.2Å; Q221-F224 PolarHBondContact O-N 2.65Å; L222-F224 VanDerWaalsContact C-N 3.32Å; L222-F224 PolarHBondContact O-N 3.38Å; F224-L226 VanDerWaalsContact C-N 3.26Å; F224-L226 PolarHBondContact O-N 3.48Å; F224-Q227 WeakPolarHBondContact O-CB 3.35Å; F224-Q227 PolarHBondContact O-N 3.34Å; F224-L228 WeakPolarHBondContact O-CB 3.24Å; F224-L228 PolarHBondContact O-N 2.6Å; F224-P277 HydrophobicContact CE1-CG 3.67Å; F224-P277 HydrophobicContact CZ-CG 4.22Å; F224-L283 HydrophobicContact CD1-CD2 4.35Å; F224-L283 HydrophobicContact CE1-CD2 3.83Å; F224-L283 HydrophobicContact CE2-CD2 4Å; F224-L283 HydrophobicContact CZ-CD2 3.63Å; F224-H286 HydrophobicContact CE2-CB 4.41Å; F224-H286 AromaticContact CE2-CD2 3.82Å
225C89.9Confident89.4Confident0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-62-35.5176.5-580000112.2F207 Q221 L222 L228 A229 L236 C276F207-C225 HydrophobicContact CB-CB 4.35Å; F207-C225 WeakPolarHBondContact CD2-SG 3.34Å; F207-C225 HydrophobicContact CG-CB 4.39Å; Q221-C225 PolarHBondContact O-N 3.47Å; Q221-C225 PolarHBondContact O-SG 3.01Å; L222-C225 PolarHBondContact O-N 2.91Å; C225-L228 PolarHBondContact O-N 3.31Å; C225-A229 WeakPolarHBondContact O-CB 3.47Å; C225-A229 PolarHBondContact O-N 2.92Å; C225-L236 HydrophobicContact CB-CD1 3.8Å; C225-L236 HydrophobicContact CB-CD2 4.28Å; C225-C276 WeakPolarHBondContact CA-SG 3.38Å; C225-C276 HydrophobicContact CB-CB 3.84Å; C225-C276 WeakPolarHBondContact CB-SG 2.88Å; C225-C276 WeakPolarHBondContact SG-CB 3.45Å; C225-C276 CovalentContact SG-SG 2.03Å; C225-C276 PolarHBondContact SG-SG 3.4Å
226L93.4Very high89.9Confident1 Ų120.9 Ų20.91%0.00510%0.101CC..Hα-helixtrans-68.1-41.1176.5-17960.1000111.3I190 Q194 L222 M223 F224 A229 F230 L236 L316 Y319 I320I190-L226 HydrophobicContact CG2-CD1 4.24Å; Q194-L226 HydrophobicContact CG-CD1 4.46Å; L222-L226 WeakPolarHBondContact O-CB 3.05Å; L222-L226 PolarHBondContact O-N 2.8Å; M223-L226 PolarHBondContact O-N 2.82Å; F224-L226 VanDerWaalsContact C-N 3.26Å; F224-L226 PolarHBondContact O-N 3.48Å; L226-A229 PolarHBondContact O-N 2.99Å; L226-F230 WeakPolarHBondContact O-CB 2.87Å; L226-F230 PolarHBondContact O-N 2.94Å; L226-L236 HydrophobicContact CB-CD2 3.8Å; L226-L236 HydrophobicContact CD1-CB 4.29Å; L226-L236 HydrophobicContact CD1-CD2 4.11Å; L226-L316 HydrophobicContact CD2-CB 4.33Å; L226-L316 HydrophobicContact CD2-CD2 3.99Å; L226-L316 HydrophobicContact CG-CD2 4.1Å; L226-Y319 HydrophobicContact CD2-CD1 3.93Å; L226-I320 HydrophobicContact CD2-CD1 4.07Å; L226-I320 HydrophobicContact CD2-CG1 3.93Å
227Q90.3Very high90.3Very high12 Ų1221 Ų216%0.05610%0.101CC..Hα-helixtrans-62.1-48.7172.2178.5-176.2-13.400111.4M223 F224 A229 F230 E231 P290 F312 L316M223-Q227 PolarHBondContact O-N 3.03Å; F224-Q227 WeakPolarHBondContact O-CB 3.35Å; F224-Q227 PolarHBondContact O-N 3.34Å; Q227-A229 PolarHBondContact O-N 3.49Å; Q227-F230 CarbonylContact O-C 3.45Å; Q227-F230 WeakPolarHBondContact O-CA 3.45Å; Q227-F230 WeakPolarHBondContact O-CB 3.49Å; Q227-F230 PolarHBondContact O-N 3.14Å; Q227-E231 HydrophobicContact CG-CG 4.14Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.29Å; Q227-E231 PolarHBondContact NE2-OE1 2.89Å; Q227-E231 WeakPolarHBondContact O-CB 3.41Å; Q227-E231 VanDerWaalsContact O-CG 3.3Å; Q227-E231 WeakPolarHBondContact O-CG 3.08Å; Q227-E231 PolarHBondContact O-N 3.38Å; Q227-P290 VanDerWaalsContact OE1-CG 3.24Å; Q227-F312 HydrophobicContact CG-CE1 4.05Å; Q227-L316 HydrophobicContact CB-CD1 3.86Å
228L87.9Confident90.5Very high32 Ų3221.5 Ų21.517%0.16810%0.104CC..Hα-helixtrans-56.7-42.2178.2-18066.2000111.1V205 F224 C225 N232 I274V205-L228 HydrophobicContact CG1-CD2 4.26Å; V205-L228 HydrophobicContact CG2-CG 4.4Å; F224-L228 WeakPolarHBondContact O-CB 3.24Å; F224-L228 PolarHBondContact O-N 2.6Å; C225-L228 PolarHBondContact O-N 3.31Å; L228-N232 WeakPolarHBondContact O-CB 3.37Å; L228-N232 PolarHBondContact O-N 2.68Å; L228-N232 PolarHBondContact O-ND2 3.16Å; L228-I274 HydrophobicContact CD2-CG2 4.1Å
229A92.9Very high90.5Very high0 Ų024.1 Ų24.10%011%0.114CC..Hα-helixtrans-62.6-46.6173.700000111.4Q193 V205 C225 L226 Q227 E231 N232 E233 R234 L236Q193-A229 VanDerWaalsContact NE2-C 3.27Å; Q193-A229 PolarHBondContact NE2-O 3.27Å; V205-A229 HydrophobicContact CB-CB 3.86Å; V205-A229 HydrophobicContact CG2-CB 3.8Å; C225-A229 WeakPolarHBondContact O-CB 3.47Å; C225-A229 PolarHBondContact O-N 2.92Å; L226-A229 PolarHBondContact O-N 2.99Å; Q227-A229 PolarHBondContact O-N 3.49Å; A229-E231 PolarHBondContact O-N 3.13Å; A229-N232 CarbonylContact O-C 3.47Å; A229-N232 PolarHBondContact O-N 3.45Å; A229-E233 PolarHBondContact O-N 3.15Å; A229-R234 WeakPolarHBondContact CB-O 3.36Å; A229-R234 PolarHBondContact O-N 2.78Å; A229-L236 HydrophobicContact CB-CB 3.82Å
230F91.9Very high89.7Confident26 Ų2629.1 Ų29.111%0.11414%0.141CC..Hα-helixtrans-56.6-48.6177.3-164-109.2000112.7L186 K189 I190 Q193 L226 Q227 N232 E233 P294 F312L186-F230 HydrophobicContact CD1-CE1 3.97Å; L186-F230 HydrophobicContact CD1-CZ 3.8Å; K189-F230 HydrophobicContact CB-CE2 3.99Å; K189-F230 HydrophobicContact CB-CZ 4Å; K189-F230 HydrophobicContact CD-CZ 4.28Å; I190-F230 HydrophobicContact CG1-CD2 3.87Å; I190-F230 HydrophobicContact CG1-CE2 3.75Å; I190-F230 HydrophobicContact CG1-CZ 4.41Å; Q193-F230 PolarHBondContact OE1-O 3.36Å; L226-F230 WeakPolarHBondContact O-CB 2.87Å; L226-F230 PolarHBondContact O-N 2.94Å; Q227-F230 CarbonylContact O-C 3.45Å; Q227-F230 WeakPolarHBondContact O-CA 3.45Å; Q227-F230 WeakPolarHBondContact O-CB 3.49Å; Q227-F230 PolarHBondContact O-N 3.14Å; F230-N232 VanDerWaalsContact C-N 3.27Å; F230-N232 PolarHBondContact O-N 2.86Å; F230-E233 PolarHBondContact O-N 3.39Å; F230-P294 HydrophobicContact CE1-CG 3.87Å; F230-F312 HydrophobicContact CD1-CZ 4.32Å
231E87.6Confident88.5Confident35 Ų3532.2 Ų32.216%0.16415%0.153CC..Hα-helixtrans-65.9-27.3-179.5-70.7175.1167.700113.7Q227 A229 W590Q227-E231 HydrophobicContact CG-CG 4.14Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.29Å; Q227-E231 PolarHBondContact NE2-OE1 2.89Å; Q227-E231 WeakPolarHBondContact O-CB 3.41Å; Q227-E231 VanDerWaalsContact O-CG 3.3Å; Q227-E231 WeakPolarHBondContact O-CG 3.08Å; Q227-E231 PolarHBondContact O-N 3.38Å; A229-E231 PolarHBondContact O-N 3.13Å; E231-W590 HydrophobicContact CB-CD2 3.81Å; E231-W590 HydrophobicContact CB-CE3 4.16Å; E231-W590 HydrophobicContact CB-CG 4.2Å; E231-W590 HydrophobicContact CB-CH2 4.13Å; E231-W590 HydrophobicContact CB-CZ2 3.77Å; E231-W590 HydrophobicContact CB-CZ3 4.3Å; E231-W590 VanDerWaalsContact CG-CD1 3.47Å; E231-W590 HydrophobicContact CG-CD2 4.16Å; E231-W590 HydrophobicContact CG-CG 4.08Å; E231-W590 HydrophobicContact CG-CZ2 4.37Å; E231-W590 PolarHBondContact OE1-NE1 3.21Å; E231-W590 VanDerWaalsContact OE1-NE1 3.16Å; E231-W590 VanDerWaalsContact OE2-CE2 3.25Å; E231-W590 VanDerWaalsContact OE2-CZ2 3.3Å; E231-W590 WeakPolarHBondContact OE2-CZ2 3.43Å; E231-W590 PolarHBondContact OE2-NE1 3.03Å
232N88.9Confident87.3Confident51 Ų5141.2 Ų41.227%0.27319%0.186SC..THydrogen-bonded Turntrans-105.315.9-177.7-70.8-94.8000113.3L228 A229 F230 R234 I274L228-N232 WeakPolarHBondContact O-CB 3.37Å; L228-N232 PolarHBondContact O-N 2.68Å; L228-N232 PolarHBondContact O-ND2 3.16Å; A229-N232 CarbonylContact O-C 3.47Å; A229-N232 PolarHBondContact O-N 3.45Å; F230-N232 VanDerWaalsContact C-N 3.27Å; F230-N232 PolarHBondContact O-N 2.86Å; N232-R234 HydrophobicContact CB-CG 4.36Å; N232-R234 WeakPolarHBondContact O-CG 3.5Å; N232-R234 PolarHBondContact O-N 3.41Å; N232-I274 HydrophobicContact CB-CD1 4.38Å
233E92Very high85.8Confident139 Ų13946.7 Ų46.765%0.6522%0.224SC*.THydrogen-bonded Turntrans51.240.1-178.1-57.1-171.1160.100113.5A229 F230A229-E233 PolarHBondContact O-N 3.15Å; F230-E233 PolarHBondContact O-N 3.39Å
234R95.6Very high84.6Confident36 Ų3656.6 Ų56.614%0.13626%0.261CS..  trans-116.3150.8-175.1-78.1162.1-176-90.14.4112.4Q193 K203 Y204 V205 A229 N232 D272 I274Q193-R234 VanDerWaalsContact NE2-N 3.19Å; Q193-R234 PolarHBondContact NE2-O 3.43Å; K203-R234 HydrophobicContact CB-CG 3.65Å; K203-R234 CarbonylContact O-C 3.49Å; K203-R234 VanDerWaalsContact O-CA 3.32Å; K203-R234 WeakPolarHBondContact O-CA 3.16Å; K203-R234 WeakPolarHBondContact O-CB 3.43Å; Y204-R234 PolarHBondContact O-NH1 3.25Å; V205-R234 HydrophobicContact CG2-CB 3.96Å; A229-R234 WeakPolarHBondContact CB-O 3.36Å; A229-R234 PolarHBondContact O-N 2.78Å; N232-R234 HydrophobicContact CB-CG 4.36Å; N232-R234 WeakPolarHBondContact O-CG 3.5Å; N232-R234 PolarHBondContact O-N 3.41Å; R234-D272 PolarHBondContact NH1-O 2.77Å; R234-D272 PolarHBondContact NH2-O 2.74Å; R234-I274 VanDerWaalsContact NE-CD1 3.32Å
235V97.3Very high84.1Confident4 Ų455.2 Ų55.22%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-76.3135169.8-175.30000108.5Q193 P196 A202 K203 Y204 V205 V237 C262Q193-V235 WeakPolarHBondContact O-CG2 3.29Å; P196-V235 HydrophobicContact CG-CG2 3.76Å; A202-V235 HydrophobicContact CB-CG2 4.05Å; K203-V235 PolarHBondContact O-N 2.87Å; Y204-V235 CarbonylContact C-O 3.58Å; Y204-V235 WeakPolarHBondContact CA-O 3.43Å; Y204-V235 HydrophobicContact CD1-CB 3.72Å; Y204-V235 HydrophobicContact CD1-CG1 4.23Å; Y204-V235 HydrophobicContact CE1-CB 3.72Å; Y204-V235 HydrophobicContact CE1-CG1 4.02Å; Y204-V235 HydrophobicContact CE1-CG2 4.25Å; V205-V235 PolarHBondContact N-O 3.24Å; V235-V237 HydrophobicContact CG1-CG2 4Å; V235-C262 HydrophobicContact CG1-CB 4.25Å
236L96.3Very high83.8Confident2 Ų257 Ų571%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-87.5120.8172.4174.364.4000108Q194 V205 F207 L222 C225 L226 A229 L258Q194-L236 VanDerWaalsContact NE2-N 3.15Å; Q194-L236 PolarHBondContact OE1-O 3.11Å; V205-L236 HydrophobicContact CB-CD1 4.29Å; V205-L236 HydrophobicContact CG1-CD1 3.96Å; V205-L236 WeakPolarHBondContact O-CA 3.23Å; F207-L236 HydrophobicContact CB-CD1 4.15Å; L222-L236 HydrophobicContact CD1-CD2 3.8Å; C225-L236 HydrophobicContact CB-CD1 3.8Å; C225-L236 HydrophobicContact CB-CD2 4.28Å; L226-L236 HydrophobicContact CB-CD2 3.8Å; L226-L236 HydrophobicContact CD1-CB 4.29Å; L226-L236 HydrophobicContact CD1-CD2 4.11Å; A229-L236 HydrophobicContact CB-CB 3.82Å; L236-L258 HydrophobicContact CD2-CD1 3.92Å; L236-L258 HydrophobicContact CG-CD1 4.31Å
237V94Very high83.4Confident6 Ų657 Ų574%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-122.3128.1175.4173.70000109.6Y204 V205 T206 F207 V235 H264 T267Y204-V237 HydrophobicContact CD1-CB 4.25Å; Y204-V237 HydrophobicContact CD1-CG2 3.47Å; Y204-V237 VanDerWaalsContact CD1-CG2 3.47Å; Y204-V237 HydrophobicContact CE1-CG2 3.63Å; V205-V237 PolarHBondContact O-N 3.3Å; T206-V237 CarbonylContact C-O 3.51Å; T206-V237 VanDerWaalsContact CA-O 3.3Å; T206-V237 WeakPolarHBondContact CA-O 3.49Å; F207-V237 PolarHBondContact N-O 3.3Å; V235-V237 HydrophobicContact CG1-CG2 4Å; V237-H264 HydrophobicContact CG1-CB 4.23Å; V237-T267 HydrophobicContact CB-CG2 3.75Å; V237-T267 HydrophobicContact CG1-CG2 3.68Å; V237-T267 HydrophobicContact CG2-CG2 4.05Å
238V89.3Confident83.2Confident25 Ų2558.4 Ų58.415%0.15227%0.271CS..EExtended strand (participates in β ladder)trans-80.1125.8170.91760000108.4F207 Y209 L222 H248 L258F207-V238 CarbonylContact O-C 3.56Å; F207-V238 WeakPolarHBondContact O-CA 3.43Å; Y209-V238 HydrophobicContact CD2-CG1 3.31Å; Y209-V238 HydrophobicContact CE2-CB 4.1Å; Y209-V238 HydrophobicContact CE2-CG1 3.23Å; Y209-V238 HydrophobicContact CE2-CG2 3.7Å; L222-V238 HydrophobicContact CD1-CG2 4.42Å; V238-H248 VanDerWaalsContact CG1-CE1 3.44Å; V238-H248 WeakPolarHBondContact CG1-CE1 3.25Å; V238-H248 WeakPolarHBondContact CG1-ND1 3.15Å; V238-L258 HydrophobicContact CG2-CD1 3.9Å
239K83.7Confident83.1Confident59 Ų5961.2 Ų61.226%0.25728%0.283SS..PPolyproline II helixtrans-64148.1177.1-63-168.8-170165.10110.6T206 F207 D208 E275T206-K239 VanDerWaalsContact CB-CE 3.44Å; T206-K239 WeakPolarHBondContact OG1-CE 3.48Å; F207-K239 PolarHBondContact O-N 2.88Å; D208-K239 HydrophobicContact CB-CB 4.42Å; D208-K239 HydrophobicContact CB-CD 4.15Å; K239-E275 IonicContact NZ-OE1 2.77Å; K239-E275 PolarHBondContact NZ-OE1 3.18Å
240N73.2Confident83Confident105 Ų10561.2 Ų61.256%0.56128%0.283SS*.PPolyproline II helixtrans-68.1134.3179.6-165.51000111.3H264N240-H264 HydrophobicContact CB-CB 4.17Å; N240-H264 WeakPolarHBondContact CB-CD2 3.49Å; N240-H264 PolarHBondContact ND2-CE1 3.42Å; N240-H264 VanDerWaalsContact ND2-CE1 3.35Å; N240-H264 PolarHBondContact ND2-NE2 3.49Å
241Y62.8Low83Confident71 Ų7160.5 Ų60.528%0.27828%0.281SS..  trans-109.9151.5-168.1-171.9-91.6000114.1Y209 S243 R244 D245Y209-Y241 WeakPolarHBondContact O-CE2 3.34Å; Y241-S243 PolarHBondContact O-N 3.38Å; Y241-R244 HydrophobicContact CE1-CB 4.4Å; Y241-D245 HydrophobicContact CD1-CB 3.41Å; Y241-D245 VanDerWaalsContact CD1-CB 3.41Å; Y241-D245 HydrophobicContact CD2-CB 4.22Å; Y241-D245 HydrophobicContact CE1-CB 3.29Å; Y241-D245 HydrophobicContact CE2-CB 4.07Å; Y241-D245 HydrophobicContact CG-CB 3.9Å
242R59.6Low83.1Confident217 Ų21765 Ų6582%0.81930%0.301SS*.  trans-79.684.4178.1-62.4178176.4176.6-0.6113.4R244R242-R244 VanDerWaalsContact C-N 3.28Å; R242-R244 PolarHBondContact O-N 2.89Å
243S57Low83.3Confident116 Ų11666.5 Ų66.581%0.81131%0.307SS*.SBendtrans36.423.1158.980.50000122.1Y241Y241-S243 PolarHBondContact O-N 3.38Å
244R65.7Low83.4Confident214 Ų21460.5 Ų60.581%0.80828%0.279SS*.  trans-149.4-1.3-178.8-67.3-169.2-174.4-165.30.9116.1Y241 R242 I246Y241-R244 HydrophobicContact CE1-CB 4.4Å; R242-R244 VanDerWaalsContact C-N 3.28Å; R242-R244 PolarHBondContact O-N 2.89Å; R244-I246 PolarHBondContact O-N 3.17Å
245D78Confident83.4Confident8 Ų859 Ų594%0.04327%0.274CS..  trans-88.9102.6-179.8-168-50.4000109.9Y209 N211 Y241 F247 H248 E249Y209-D245 WeakPolarHBondContact CB-OD2 3.44Å; Y209-D245 VanDerWaalsContact O-OD2 3.05Å; N211-D245 VanDerWaalsContact CG-OD2 3.25Å; N211-D245 PolarHBondContact ND2-OD1 3.47Å; N211-D245 PolarHBondContact ND2-OD2 2.98Å; Y241-D245 HydrophobicContact CD1-CB 3.41Å; Y241-D245 VanDerWaalsContact CD1-CB 3.41Å; Y241-D245 HydrophobicContact CD2-CB 4.22Å; Y241-D245 HydrophobicContact CE1-CB 3.29Å; Y241-D245 HydrophobicContact CE2-CB 4.07Å; Y241-D245 HydrophobicContact CG-CB 3.9Å; D245-F247 VanDerWaalsContact C-N 3.31Å; D245-F247 PolarHBondContact O-N 3.48Å; D245-F247 WeakPolarHBondContact OD1-CA 3.44Å; D245-F247 PolarHBondContact OD1-N 2.94Å; D245-H248 HydrophobicContact CB-CB 3.94Å; D245-H248 PolarHBondContact O-N 3.32Å; D245-H248 PolarHBondContact OD1-N 2.95Å; D245-E249 WeakPolarHBondContact O-CB 3.28Å; D245-E249 PolarHBondContact O-N 3.46Å
246I82.9Confident83.4Confident37 Ų3762 Ų6219%0.1929%0.29CS..Hα-helixtrans-65.1-35.9-176.3-62174.8000111.3R244 W250 M455 M460R244-I246 PolarHBondContact O-N 3.17Å; I246-W250 WeakPolarHBondContact O-CB 2.99Å; I246-W250 PolarHBondContact O-N 2.92Å; I246-M455 HydrophobicContact CD1-CB 4.22Å; I246-M455 WeakPolarHBondContact CD1-O 3.4Å; I246-M460 HydrophobicContact CG2-CB 4.43Å; I246-M460 HydrophobicContact CG2-CE 4.43Å
247F85.2Confident83.3Confident1 Ų164.9 Ų64.90%0.00431%0.309CS..Hα-helixtrans-71-45.6-179.3176.5-118.7000111Y209 F215 M219 D245 W250 L251 M460Y209-F247 AromaticContact CD1-CD1 3.93Å; Y209-F247 HydrophobicContact CD1-CD1 3.93Å; Y209-F247 HydrophobicContact CD1-CE1 4.32Å; Y209-F247 AromaticContact CE1-CD1 3.46Å; Y209-F247 HydrophobicContact CE1-CD1 3.46Å; Y209-F247 VanDerWaalsContact CE1-CD1 3.46Å; Y209-F247 AromaticContact CE1-CE1 3.4Å; Y209-F247 HydrophobicContact CE1-CE1 3.4Å; Y209-F247 VanDerWaalsContact CE1-CE1 3.4Å; Y209-F247 AromaticContact CZ-CE1 3.82Å; F215-F247 AromaticContact CD2-CD2 3.77Å; F215-F247 HydrophobicContact CD2-CD2 3.77Å; F215-F247 AromaticContact CD2-CE2 3.57Å; F215-F247 HydrophobicContact CD2-CE2 3.57Å; F215-F247 HydrophobicContact CD2-CZ 4.48Å; F215-F247 HydrophobicContact CE2-CD2 4.26Å; F215-F247 AromaticContact CE2-CE2 3.63Å; F215-F247 HydrophobicContact CE2-CE2 3.63Å; F215-F247 HydrophobicContact CE2-CZ 4.46Å; M219-F247 HydrophobicContact CG-CE2 4.18Å; M219-F247 HydrophobicContact CG-CZ 3.94Å; M219-F247 HydrophobicContact SD-CE2 3.93Å; M219-F247 HydrophobicContact SD-CZ 3.48Å; M219-F247 WeakPolarHBondContact SD-CZ 3.31Å; D245-F247 VanDerWaalsContact C-N 3.31Å; D245-F247 PolarHBondContact O-N 3.48Å; D245-F247 WeakPolarHBondContact OD1-CA 3.44Å; D245-F247 PolarHBondContact OD1-N 2.94Å; F247-W250 HydrophobicContact CD2-CE3 4.4Å; F247-W250 HydrophobicContact CE2-CE3 4.23Å; F247-W250 PolarHBondContact O-N 3.14Å; F247-L251 HydrophobicContact CZ-CD1 4.41Å; F247-L251 VanDerWaalsContact O-CB 3.3Å; F247-L251 WeakPolarHBondContact O-CB 2.95Å; F247-L251 PolarHBondContact O-N 3.45Å; F247-M460 HydrophobicContact CB-CE 3.83Å; F247-M460 HydrophobicContact CD2-CE 4.09Å; F247-M460 HydrophobicContact CD2-SD 3.82Å; F247-M460 HydrophobicContact CG-CE 4.41Å
248H85Confident83.4Confident43 Ų4365.5 Ų65.520%0.19931%0.311CS..Hα-helixtrans-60.1-48.2175.8178.676.1000111.7Y209 V238 D245 W250 L251 H252Y209-H248 HydrophobicContact CD2-CB 3.84Å; Y209-H248 AromaticContact CD2-CG 3.91Å; Y209-H248 AromaticContact CD2-ND1 3.35Å; Y209-H248 VanDerWaalsContact CD2-ND1 3.35Å; Y209-H248 WeakPolarHBondContact CD2-ND1 3.4Å; Y209-H248 HydrophobicContact CE2-CB 4.31Å; Y209-H248 AromaticContact CE2-ND1 3.49Å; Y209-H248 WeakPolarHBondContact CE2-ND1 3.31Å; Y209-H248 HydrophobicContact CG-CB 4.22Å; V238-H248 VanDerWaalsContact CG1-CE1 3.44Å; V238-H248 WeakPolarHBondContact CG1-CE1 3.25Å; V238-H248 WeakPolarHBondContact CG1-ND1 3.15Å; D245-H248 HydrophobicContact CB-CB 3.94Å; D245-H248 PolarHBondContact O-N 3.32Å; D245-H248 PolarHBondContact OD1-N 2.95Å; H248-W250 VanDerWaalsContact C-N 3.34Å; H248-W250 PolarHBondContact O-N 3.27Å; H248-L251 PolarHBondContact O-N 3.38Å; H248-H252 WeakPolarHBondContact O-CB 3.38Å; H248-H252 PolarHBondContact O-N 2.93Å
249E86.7Confident83.7Confident90 Ų9064.9 Ų64.942%0.42131%0.308SS..Hα-helixtrans-59.4-46.8176.9-177.6-178.3170.500111D245 H252 Q253D245-E249 WeakPolarHBondContact O-CB 3.28Å; D245-E249 PolarHBondContact O-N 3.46Å; E249-H252 PolarHBondContact O-N 3.35Å; E249-Q253 VanDerWaalsContact CG-NE2 3.26Å; E249-Q253 WeakPolarHBondContact O-CB 3.4Å; E249-Q253 VanDerWaalsContact O-CG 3.31Å; E249-Q253 WeakPolarHBondContact O-CG 3.29Å; E249-Q253 PolarHBondContact O-N 2.96Å; E249-Q253 PolarHBondContact OE1-NE2 3.14Å
250W91.1Very high84.2Confident0 Ų068.4 Ų68.40%033%0.326CS..Hα-helixtrans-60.2-46.2178179.290.7000112.1I246 F247 H248 Q253 N254 T255 L321 F327 Y457 M460 N461 V464I246-W250 WeakPolarHBondContact O-CB 2.99Å; I246-W250 PolarHBondContact O-N 2.92Å; F247-W250 HydrophobicContact CD2-CE3 4.4Å; F247-W250 HydrophobicContact CE2-CE3 4.23Å; F247-W250 PolarHBondContact O-N 3.14Å; H248-W250 VanDerWaalsContact C-N 3.34Å; H248-W250 PolarHBondContact O-N 3.27Å; W250-Q253 PolarHBondContact O-N 3.28Å; W250-N254 VanDerWaalsContact CD1-ND2 3.29Å; W250-N254 HydrophobicContact CD2-CB 4.46Å; W250-N254 HydrophobicContact CH2-CB 4.24Å; W250-N254 HydrophobicContact CZ2-CB 3.82Å; W250-N254 PolarHBondContact NE1-ND2 3.28Å; W250-N254 WeakPolarHBondContact O-CB 3.27Å; W250-N254 PolarHBondContact O-N 3.05Å; W250-N254 PolarHBondContact O-ND2 3.2Å; W250-T255 HydrophobicContact CH2-CG2 4.16Å; W250-T255 HydrophobicContact CZ3-CG2 4.11Å; W250-L321 HydrophobicContact CH2-CD2 4.4Å; W250-L321 HydrophobicContact CZ3-CD2 4.28Å; W250-F327 AromaticContact CH2-CE1 3.95Å; W250-F327 HydrophobicContact CH2-CE1 3.95Å; W250-F327 HydrophobicContact CH2-CZ 4.24Å; W250-F327 HydrophobicContact CZ2-CD1 4.25Å; W250-F327 AromaticContact CZ2-CE1 3.64Å; W250-F327 HydrophobicContact CZ2-CE1 3.64Å; W250-F327 AromaticContact CZ2-CE2 3.98Å; W250-F327 HydrophobicContact CZ2-CE2 3.98Å; W250-F327 AromaticContact CZ2-CZ 3.53Å; W250-F327 HydrophobicContact CZ2-CZ 3.53Å; W250-Y457 HydrophobicContact CB-CD2 4.26Å; W250-Y457 HydrophobicContact CB-CE2 4.14Å; W250-Y457 HydrophobicContact CG-CE2 4.49Å; W250-M460 HydrophobicContact CB-CB 4.36Å; W250-M460 HydrophobicContact CB-CG 3.7Å; W250-M460 HydrophobicContact CD2-CG 3.58Å; W250-M460 HydrophobicContact CE3-CG 4.17Å; W250-M460 HydrophobicContact CG-CB 3.95Å; W250-M460 HydrophobicContact CG-CG 3.28Å; W250-N461 PolarHBondContact NE1-OD1 2.86Å; W250-V464 HydrophobicContact CD2-CG2 4.47Å; W250-V464 HydrophobicContact CE3-CG2 4.33Å; W250-V464 HydrophobicContact CH2-CB 3.94Å; W250-V464 HydrophobicContact CH2-CG1 3.64Å; W250-V464 HydrophobicContact CH2-CG2 3.45Å; W250-V464 VanDerWaalsContact CH2-CG2 3.45Å; W250-V464 HydrophobicContact CZ2-CB 3.81Å; W250-V464 HydrophobicContact CZ2-CG1 3.88Å; W250-V464 HydrophobicContact CZ2-CG2 3.52Å; W250-V464 HydrophobicContact CZ3-CG2 3.85Å
251L91.2Very high85.3Confident11 Ų1168.8 Ų68.86%0.05832%0.322CS..Hα-helixtrans-59.9-52.8179.2-173.473.2000109.7Y209 L222 F247 H248 Q253 N254 T255 I320Y209-L251 WeakPolarHBondContact OH-CD2 3.22Å; L222-L251 HydrophobicContact CD2-CD2 3.94Å; F247-L251 HydrophobicContact CZ-CD1 4.41Å; F247-L251 VanDerWaalsContact O-CB 3.3Å; F247-L251 WeakPolarHBondContact O-CB 2.95Å; F247-L251 PolarHBondContact O-N 3.45Å; H248-L251 PolarHBondContact O-N 3.38Å; L251-Q253 VanDerWaalsContact C-N 3.29Å; L251-Q253 PolarHBondContact O-N 3.45Å; L251-N254 PolarHBondContact O-N 3.08Å; L251-T255 HydrophobicContact CD1-CG2 3.8Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.41Å; L251-T255 PolarHBondContact O-N 2.96Å; L251-T255 PolarHBondContact O-OG1 3.43Å; L251-I320 HydrophobicContact CD1-CG2 4.02Å
252H89.6Confident86.8Confident129 Ų12965.9 Ų65.960%0.59731%0.312SS*.Hα-helixtrans-57.8-39.6178.9178.7-97.6000112.8H248 E249 K324H248-H252 WeakPolarHBondContact O-CB 3.38Å; H248-H252 PolarHBondContact O-N 2.93Å; E249-H252 PolarHBondContact O-N 3.35Å; H252-K324 PolarHBondContact O-NZ 3.06Å
253Q92.4Very high88.3Confident84 Ų8458.8 Ų58.839%0.39329%0.29SS..Hα-helixtrans-78-33.8-177.9-70.8-178.718.500113.7E249 W250 L251 K324 Y457E249-Q253 VanDerWaalsContact CG-NE2 3.26Å; E249-Q253 WeakPolarHBondContact O-CB 3.4Å; E249-Q253 VanDerWaalsContact O-CG 3.31Å; E249-Q253 WeakPolarHBondContact O-CG 3.29Å; E249-Q253 PolarHBondContact O-N 2.96Å; E249-Q253 PolarHBondContact OE1-NE2 3.14Å; W250-Q253 PolarHBondContact O-N 3.28Å; L251-Q253 VanDerWaalsContact C-N 3.29Å; L251-Q253 PolarHBondContact O-N 3.45Å; Q253-K324 WeakPolarHBondContact O-CD 3.23Å; Q253-Y457 HydrophobicContact CB-CE2 4.42Å; Q253-Y457 WeakPolarHBondContact CB-OH 3.42Å; Q253-Y457 PolarHBondContact OE1-OH 2.92Å
254N95.5Very high89.8Confident13 Ų1355.5 Ų55.57%0.0726%0.262CS..Hα-helixtrans-107.4-17.9-170-65.8-73.4000115W250 L251 K324 F327 Y457W250-N254 VanDerWaalsContact CD1-ND2 3.29Å; W250-N254 HydrophobicContact CD2-CB 4.46Å; W250-N254 HydrophobicContact CH2-CB 4.24Å; W250-N254 HydrophobicContact CZ2-CB 3.82Å; W250-N254 PolarHBondContact NE1-ND2 3.28Å; W250-N254 WeakPolarHBondContact O-CB 3.27Å; W250-N254 PolarHBondContact O-N 3.05Å; W250-N254 PolarHBondContact O-ND2 3.2Å; L251-N254 PolarHBondContact O-N 3.08Å; N254-K324 PolarHBondContact O-N 2.66Å; N254-F327 HydrophobicContact CB-CB 4.04Å; N254-F327 HydrophobicContact CB-CD1 4.16Å; N254-F327 HydrophobicContact CB-CD2 4.35Å; N254-F327 HydrophobicContact CB-CG 3.93Å; N254-Y457 PolarHBondContact ND2-OH 3Å
255T96.1Very high90.9Very high5 Ų551.5 Ų51.53%0.03125%0.253CS..BIsolated β-bridgetrans-112.5161.2178.273.50000112W250 L251 R322 K324W250-T255 HydrophobicContact CH2-CG2 4.16Å; W250-T255 HydrophobicContact CZ3-CG2 4.11Å; L251-T255 HydrophobicContact CD1-CG2 3.8Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.41Å; L251-T255 PolarHBondContact O-N 2.96Å; L251-T255 PolarHBondContact O-OG1 3.43Å; T255-R322 CarbonylContact C-O 3.59Å; T255-R322 WeakPolarHBondContact CA-O 3.37Å; T255-R322 WeakPolarHBondContact CB-O 3.49Å; T255-K324 WeakPolarHBondContact O-CD 3.27Å; T255-K324 WeakPolarHBondContact O-CE 3.43Å
256L96.5Very high91.5Very high67 Ų6753 Ų5335%0.35126%0.261SS..  trans-64.8148.2164.9-61.1-177.2000109.2R322 K324L256-R322 HydrophobicContact CB-CB 4.12Å; L256-R322 HydrophobicContact CD1-CB 4.05Å; L256-R322 HydrophobicContact CG-CB 4.17Å; L256-R322 PolarHBondContact N-O 3.46Å; L256-K324 HydrophobicContact CD2-CG 4.06Å
257P94.7Very high91.9Very high62 Ų6251.6 Ų51.640%0.40325%0.254SS..  trans-65.7153.9-179.831.8-37.6000110.7S259 E260 R322P257-S259 VanDerWaalsContact C-N 3.27Å; P257-S259 WeakPolarHBondContact CB-O 3.37Å; P257-S259 PolarHBondContact O-N 3.44Å; P257-E260 HydrophobicContact CG-CG 4.37Å; P257-R322 PolarHBondContact O-NH2 3.39Å
258L95.1Very high91.9Very high18 Ų1857 Ų579%0.09428%0.282CS..SBendtrans-63.3-37.2177.6-61.6175.1000111.5Q194 L222 L236 V238 Y319 I320Q194-L258 WeakPolarHBondContact CB-O 3.14Å; L222-L258 HydrophobicContact CD1-CD1 4.03Å; L236-L258 HydrophobicContact CD2-CD1 3.92Å; L236-L258 HydrophobicContact CG-CD1 4.31Å; V238-L258 HydrophobicContact CG2-CD1 3.9Å; L258-Y319 WeakPolarHBondContact O-CE1 3.02Å; L258-Y319 PolarHBondContact O-OH 3.5Å; L258-I320 HydrophobicContact CD2-CB 4.44Å; L258-I320 HydrophobicContact CD2-CG1 3.95Å
259S96.4Very high91.7Very high12 Ų1259.2 Ų59.28%0.08432%0.318CS..  trans-126.4136170.4-177.70000109.5Q194 N195 P257 K261 C262Q194-S259 WeakPolarHBondContact O-CB 3.24Å; Q194-S259 PolarHBondContact O-OG 3.48Å; N195-S259 PolarHBondContact OD1-OG 3.38Å; P257-S259 VanDerWaalsContact C-N 3.27Å; P257-S259 WeakPolarHBondContact CB-O 3.37Å; P257-S259 PolarHBondContact O-N 3.44Å; S259-K261 PolarHBondContact OG-N 3.25Å; S259-C262 WeakPolarHBondContact CB-O 3.31Å; S259-C262 PolarHBondContact OG-N 3.24Å
260E94.6Very high91.8Very high134 Ų13457.9 Ų57.963%0.62631%0.309SS*.SBendtrans-83.5-16.1173.1-64.9169.7-159.400112.1Q191 N195 P257Q191-E260 PolarHBondContact NE2-OE1 3.13Å; N195-E260 WeakPolarHBondContact OD1-CB 3.15Å; N195-E260 PolarHBondContact OD1-N 2.85Å; P257-E260 HydrophobicContact CG-CG 4.37Å
261K94.5Very high91.7Very high113 Ų11363.9 Ų63.949%0.49135%0.351SS..SBendtrans-110.8-44.9-172.4-64.7179.9-177.91700113.8N195 P196 S259N195-K261 HydrophobicContact CB-CD 4.12Å; N195-K261 HydrophobicContact CB-CG 4.46Å; N195-K261 PolarHBondContact O-NZ 3.09Å; P196-K261 WeakPolarHBondContact O-CD 3.45Å; P196-K261 PolarHBondContact O-NZ 3.47Å; S259-K261 PolarHBondContact OG-N 3.25Å
262C94.4Very high91.7Very high9 Ų966 Ų666%0.06136%0.362CS..  trans-103141.6-172.7-47.90000110.7P196 C199 Y204 V235 S259 D266P196-C262 VanDerWaalsContact CG-SG 3.53Å; C199-C262 HydrophobicContact CB-CB 3.86Å; C199-C262 WeakPolarHBondContact CB-SG 3.12Å; C199-C262 WeakPolarHBondContact SG-CA 3.36Å; C199-C262 WeakPolarHBondContact SG-CB 3.28Å; C199-C262 PolarHBondContact SG-N 3.02Å; C199-C262 VanDerWaalsContact SG-N 3.42Å; C199-C262 CovalentContact SG-SG 2.05Å; C199-C262 PolarHBondContact SG-SG 3.29Å; Y204-C262 HydrophobicContact CE1-CB 4.05Å; V235-C262 HydrophobicContact CG1-CB 4.25Å; S259-C262 WeakPolarHBondContact CB-O 3.31Å; S259-C262 PolarHBondContact OG-N 3.24Å; C262-D266 WeakPolarHBondContact CA-OD2 3.28Å
263N91Very high91.8Very high68 Ų6861.7 Ų61.736%0.36434%0.343SS..  trans-133.8-178.7-177.170.763.5000111.1E265 D266N263-E265 PolarHBondContact O-N 2.84Å; N263-E265 WeakPolarHBondContact OD1-CA 3.2Å; N263-E265 WeakPolarHBondContact OD1-CB 3.3Å; N263-E265 WeakPolarHBondContact OD1-CG 3.36Å; N263-E265 PolarHBondContact OD1-N 2.92Å; N263-D266 PolarHBondContact N-OD2 3.04Å; N263-D266 WeakPolarHBondContact O-CB 3.45Å; N263-D266 PolarHBondContact O-N 3.22Å
264H88.5Confident91.7Very high47 Ų4760 Ų6022%0.21834%0.337CS..G310 helixtrans-60.9-29.2-176.467.1-93.5000113.8V237 N240 D266 T267V237-H264 HydrophobicContact CG1-CB 4.23Å; N240-H264 HydrophobicContact CB-CB 4.17Å; N240-H264 WeakPolarHBondContact CB-CD2 3.49Å; N240-H264 PolarHBondContact ND2-CE1 3.42Å; N240-H264 VanDerWaalsContact ND2-CE1 3.35Å; N240-H264 PolarHBondContact ND2-NE2 3.49Å; H264-D266 PolarHBondContact O-N 3.47Å; H264-T267 PolarHBondContact O-N 2.93Å; H264-T267 VanDerWaalsContact O-N 3.16Å; H264-T267 PolarHBondContact O-OG1 2.58Å
265E90.2Very high91.4Very high130 Ų13064.1 Ų64.161%0.60736%0.355SS*.G310 helixtrans-64.8-31.7179.4-56.9-179.5166.200111.5N263 T267 N268N263-E265 PolarHBondContact O-N 2.84Å; N263-E265 WeakPolarHBondContact OD1-CA 3.2Å; N263-E265 WeakPolarHBondContact OD1-CB 3.3Å; N263-E265 WeakPolarHBondContact OD1-CG 3.36Å; N263-E265 PolarHBondContact OD1-N 2.92Å; E265-T267 PolarHBondContact O-N 3.21Å; E265-N268 PolarHBondContact O-N 3.48Å
266D90.9Very high91Very high41 Ų4163.9 Ų63.922%0.21935%0.354CS..G310 helixtrans-66.2-17177.5-61.4-63.3000113.2C199 Y204 C262 N263 H264 R270C199-D266 HydrophobicContact CB-CB 4.42Å; Y204-D266 HydrophobicContact CE1-CB 4.5Å; Y204-D266 HydrophobicContact CE2-CB 4.31Å; Y204-D266 WeakPolarHBondContact OH-CB 3.47Å; C262-D266 WeakPolarHBondContact CA-OD2 3.28Å; N263-D266 PolarHBondContact N-OD2 3.04Å; N263-D266 WeakPolarHBondContact O-CB 3.45Å; N263-D266 PolarHBondContact O-N 3.22Å; H264-D266 PolarHBondContact O-N 3.47Å; D266-R270 WeakPolarHBondContact O-CD 3.35Å
267T90.1Very high90.1Very high7 Ų762.9 Ų62.94%0.04335%0.352CS..G310 helixtrans-96.6-15.4-177.572.30000113.2Y204 T206 V237 H264 E265 G269 R270 N273Y204-T267 HydrophobicContact CD1-CG2 3.84Å; Y204-T267 HydrophobicContact CD2-CG2 4.13Å; Y204-T267 HydrophobicContact CE1-CG2 4.3Å; Y204-T267 HydrophobicContact CG-CG2 3.74Å; T206-T267 HydrophobicContact CG2-CG2 3.93Å; V237-T267 HydrophobicContact CB-CG2 3.75Å; V237-T267 HydrophobicContact CG1-CG2 3.68Å; V237-T267 HydrophobicContact CG2-CG2 4.05Å; H264-T267 PolarHBondContact O-N 2.93Å; H264-T267 VanDerWaalsContact O-N 3.16Å; H264-T267 PolarHBondContact O-OG1 2.58Å; E265-T267 PolarHBondContact O-N 3.21Å; T267-G269 PolarHBondContact O-N 3.26Å; T267-R270 PolarHBondContact O-N 3.27Å; T267-N273 PolarHBondContact O-ND2 3.24Å
268N84.5Confident88.7Confident113 Ų11364.2 Ų64.260%0.60435%0.349SS*.THydrogen-bonded Turntrans-66129.9-172.9-74.1-21.8000111.8E265 R270E265-N268 PolarHBondContact O-N 3.48Å; N268-R270 PolarHBondContact O-N 3.05Å
269G81.2Confident86.7Confident91 Ų9167.2 Ų67.294%0.93837%0.366SS*.THydrogen-bonded Turntrans75.74.517700000115.4T267T267-G269 PolarHBondContact O-N 3.26Å
270R89Confident84.4Confident61 Ų6169.6 Ų69.623%0.2338%0.376CS..  trans-87.5121.6179.4-68.6-170.469.9144.4-1.8112K200 A202 D266 T267 N268 D272 N273K200-R270 PolarHBondContact O-NH1 3.49Å; A202-R270 PolarHBondContact O-NH1 2.81Å; A202-R270 PolarHBondContact O-NH2 2.88Å; D266-R270 WeakPolarHBondContact O-CD 3.35Å; T267-R270 PolarHBondContact O-N 3.27Å; N268-R270 PolarHBondContact O-N 3.05Å; R270-D272 VanDerWaalsContact C-N 3.34Å; R270-D272 WeakPolarHBondContact CB-OD1 3.49Å; R270-D272 IonicContact CZ-OD1 3.73Å; R270-D272 IonicContact CZ-OD2 3.8Å; R270-D272 IonicContact NE-OD1 3.03Å; R270-D272 PolarHBondContact NE-OD1 3.42Å; R270-D272 IonicContact NE-OD2 3.84Å; R270-D272 IonicContact NH2-OD1 3.53Å; R270-D272 IonicContact NH2-OD2 2.93Å; R270-D272 PolarHBondContact NH2-OD2 2.89Å; R270-N273 PolarHBondContact O-ND2 3.33Å
271S88.8Confident81.8Confident126 Ų12668.8 Ų68.888%0.88138%0.377SS*.THydrogen-bonded Turntrans-80-15.3178.360.30000113.7N273S271-N273 VanDerWaalsContact C-N 3.33Å
272D91.7Very high79.2Confident56 Ų5669.8 Ų69.830%0.29939%0.387SS..THydrogen-bonded Turntrans-87.5-0.2-178.366.4-43.4000113.6R234 R270R234-D272 PolarHBondContact NH1-O 2.77Å; R234-D272 PolarHBondContact NH2-O 2.74Å; R270-D272 VanDerWaalsContact C-N 3.34Å; R270-D272 WeakPolarHBondContact CB-OD1 3.49Å; R270-D272 IonicContact CZ-OD1 3.73Å; R270-D272 IonicContact CZ-OD2 3.8Å; R270-D272 IonicContact NE-OD1 3.03Å; R270-D272 PolarHBondContact NE-OD1 3.42Å; R270-D272 IonicContact NE-OD2 3.84Å; R270-D272 IonicContact NH2-OD1 3.53Å; R270-D272 IonicContact NH2-OD2 2.93Å; R270-D272 PolarHBondContact NH2-OD2 2.89Å
273N90.9Very high76.7Confident38 Ų3869.8 Ų69.820%0.20339%0.386CS..PPolyproline II helixtrans-65.1132.8175.9-67.4-16000110.8T206 T267 R270 S271T206-N273 HydrophobicContact CG2-CB 4.1Å; T267-N273 PolarHBondContact O-ND2 3.24Å; R270-N273 PolarHBondContact O-ND2 3.33Å; S271-N273 VanDerWaalsContact C-N 3.33Å
274I91.9Very high74.1Confident49 Ų4971.5 Ų71.525%0.25140%0.399SS..EExtended strand (participates in β ladder)trans-86.5124.1165-64.6177.7000107.2Y204 V205 T206 L228 N232 R234Y204-I274 PolarHBondContact O-N 3.12Å; V205-I274 CarbonylContact C-O 3.54Å; V205-I274 VanDerWaalsContact CA-O 3.25Å; V205-I274 WeakPolarHBondContact CA-O 3.37Å; V205-I274 HydrophobicContact CG2-CB 4.08Å; V205-I274 HydrophobicContact CG2-CG2 4.33Å; T206-I274 PolarHBondContact N-O 2.96Å; L228-I274 HydrophobicContact CD2-CG2 4.1Å; N232-I274 HydrophobicContact CB-CD1 4.38Å; R234-I274 VanDerWaalsContact NE-CD1 3.32Å
275E89.1Confident71.8Confident99 Ų9972.6 Ų72.646%0.46342%0.417SS..EExtended strand (participates in β ladder)trans-82.9125.1171.8-174.3158.8-138.500109.4K239 Y278K239-E275 IonicContact NZ-OE1 2.77Å; K239-E275 PolarHBondContact NZ-OE1 3.18Å; E275-Y278 HydrophobicContact CG-CE2 3.99Å; E275-Y278 WeakPolarHBondContact OE1-CE2 3.2Å; E275-Y278 PolarHBondContact OE1-OH 3.26Å
276C86.7Confident69.2Low0 Ų070.9 Ų70.90%041%0.409CS..PPolyproline II helixtrans-66.9125.8175.7-1710000109.1V205 T206 F207 C225V205-C276 HydrophobicContact CG1-CB 4.06Å; T206-C276 WeakPolarHBondContact O-CB 3.49Å; T206-C276 PolarHBondContact O-N 3.47Å; F207-C276 HydrophobicContact CB-CB 4.26Å; F207-C276 HydrophobicContact CD2-CB 4.17Å; C225-C276 WeakPolarHBondContact CA-SG 3.38Å; C225-C276 HydrophobicContact CB-CB 3.84Å; C225-C276 WeakPolarHBondContact CB-SG 2.88Å; C225-C276 WeakPolarHBondContact SG-CB 3.45Å; C225-C276 CovalentContact SG-SG 2.03Å; C225-C276 PolarHBondContact SG-SG 3.4Å
277P78.7Confident67Low47 Ų4771.4 Ų71.431%0.30541%0.411SS..PPolyproline II helixtrans-64.5137.8-17325.1-35.5000112.6Q221 F224 L283Q221-P277 PolarHBondContact NE2-O 3Å; F224-P277 HydrophobicContact CE1-CG 3.67Å; F224-P277 HydrophobicContact CZ-CG 4.22Å; P277-L283 HydrophobicContact CG-CD2 4.39Å
278Y64.2Low65Low89 Ų8974 Ų7435%0.34942%0.42SS..  trans-82.8-34.3-174.5-63.5-80.2000115.1D208 T210 E275D208-Y278 HydrophobicContact CB-CE1 3.82Å; D208-Y278 VanDerWaalsContact CB-OH 3.27Å; D208-Y278 WeakPolarHBondContact CB-OH 3.11Å; D208-Y278 WeakPolarHBondContact O-CE1 3.16Å; T210-Y278 WeakPolarHBondContact OG1-CD1 3.43Å; T210-Y278 WeakPolarHBondContact OG1-CE1 3.26Å; E275-Y278 HydrophobicContact CG-CE2 3.99Å; E275-Y278 WeakPolarHBondContact OE1-CE2 3.2Å; E275-Y278 PolarHBondContact OE1-OH 3.26Å
279N54.2Low63.4Low82 Ų8269.3 Ų69.344%0.43940%0.395SS..  trans-106.2120.6-161.7-157.7-14.8000112.1N281 D282 L283N279-N281 PolarHBondContact O-N 2.69Å; N279-N281 PolarHBondContact OD1-N 2.93Å; N279-D282 PolarHBondContact O-N 3.43Å; N279-L283 WeakPolarHBondContact O-CD1 3.16Å; N279-L283 PolarHBondContact O-N 2.85Å; N279-L283 VanDerWaalsContact O-N 3.08Å
280I48.1Very low62.2Low61 Ų6165.2 Ų65.231%0.31335%0.352SS..THydrogen-bonded Turntrans-55.8-23.6174.1-64.2161.2000111.3L283 V284 W288I280-L283 HydrophobicContact CG1-CD1 4.38Å; I280-L283 CarbonylContact O-C 3.6Å; I280-L283 WeakPolarHBondContact O-CA 3.05Å; I280-L283 WeakPolarHBondContact O-CB 3.47Å; I280-L283 PolarHBondContact O-N 2.88Å; I280-V284 PolarHBondContact O-N 3.4Å; I280-V284 VanDerWaalsContact O-N 3.08Å; I280-W288 HydrophobicContact CD1-CZ2 3.79Å
281N40Very low60.8Low118 Ų11863.5 Ų63.563%0.63135%0.346SS*.THydrogen-bonded Turntrans-77.9-28.6176.9-70.6-21.9000114.3N279 L283 V284N279-N281 PolarHBondContact O-N 2.69Å; N279-N281 PolarHBondContact OD1-N 2.93Å; N281-L283 VanDerWaalsContact C-N 3.3Å; N281-V284 WeakPolarHBondContact O-CB 3.27Å; N281-V284 WeakPolarHBondContact O-CG2 3.25Å; N281-V284 PolarHBondContact O-N 3.27Å
282D39.7Very low59.7Low133 Ų13358.2 Ų58.271%0.71131%0.309SS*.G310 helixtrans-76.8-26.5165.4-72.8-35.3000110.5N279 V284N279-D282 PolarHBondContact O-N 3.43Å; D282-V284 PolarHBondContact O-N 3.4Å
283L41.7Very low59Low9 Ų955.7 Ų55.75%0.04730%0.295CS..G310 helixtrans-7920.1165.1-58.4143.6000112.8F224 P277 N279 I280 N281 A285 H286 N287F224-L283 HydrophobicContact CD1-CD2 4.35Å; F224-L283 HydrophobicContact CE1-CD2 3.83Å; F224-L283 HydrophobicContact CE2-CD2 4Å; F224-L283 HydrophobicContact CZ-CD2 3.63Å; P277-L283 HydrophobicContact CG-CD2 4.39Å; N279-L283 WeakPolarHBondContact O-CD1 3.16Å; N279-L283 PolarHBondContact O-N 2.85Å; N279-L283 VanDerWaalsContact O-N 3.08Å; I280-L283 HydrophobicContact CG1-CD1 4.38Å; I280-L283 CarbonylContact O-C 3.6Å; I280-L283 WeakPolarHBondContact O-CA 3.05Å; I280-L283 WeakPolarHBondContact O-CB 3.47Å; I280-L283 PolarHBondContact O-N 2.88Å; N281-L283 VanDerWaalsContact C-N 3.3Å; L283-A285 PolarHBondContact O-N 2.98Å; L283-A285 VanDerWaalsContact O-N 3.14Å; L283-H286 VanDerWaalsContact C-N 3.31Å; L283-H286 HydrophobicContact CB-CB 3.9Å; L283-H286 HydrophobicContact CD2-CB 3.35Å; L283-H286 HydrophobicContact CG-CB 4.22Å; L283-H286 CarbonylContact O-C 3.6Å; L283-H286 VanDerWaalsContact O-CA 3.3Å; L283-H286 WeakPolarHBondContact O-CA 3.43Å; L283-H286 PolarHBondContact O-N 3.2Å; L283-N287 PolarHBondContact O-N 2.72Å
284V37Very low58.5Low104 Ų10454.7 Ų54.763%0.6329%0.291SS*.G310 helixtrans-59.3-21.7161.5170.50000109.8I280 N281 D282I280-V284 PolarHBondContact O-N 3.4Å; I280-V284 VanDerWaalsContact O-N 3.08Å; N281-V284 WeakPolarHBondContact O-CB 3.27Å; N281-V284 WeakPolarHBondContact O-CG2 3.25Å; N281-V284 PolarHBondContact O-N 3.27Å; D282-V284 PolarHBondContact O-N 3.4Å
285A39.5Very low57.8Low71 Ų7156.2 Ų56.259%0.58730%0.299SS*.G310 helixtrans-74.2-17.1163.800000115.1L283L283-A285 PolarHBondContact O-N 2.98Å; L283-A285 VanDerWaalsContact O-N 3.14Å
286H35.8Very low57.5Low94 Ų9455.7 Ų55.744%0.43530%0.299SS..  trans-14754.3-164-72.678.6000114.6F224 L283 W288 R520F224-H286 HydrophobicContact CE2-CB 4.41Å; F224-H286 AromaticContact CE2-CD2 3.82Å; L283-H286 VanDerWaalsContact C-N 3.31Å; L283-H286 HydrophobicContact CB-CB 3.9Å; L283-H286 HydrophobicContact CD2-CB 3.35Å; L283-H286 HydrophobicContact CG-CB 4.22Å; L283-H286 CarbonylContact O-C 3.6Å; L283-H286 VanDerWaalsContact O-CA 3.3Å; L283-H286 WeakPolarHBondContact O-CA 3.43Å; L283-H286 PolarHBondContact O-N 3.2Å; H286-W288 PolarHBondContact O-N 3.13Å; H286-R520 VanDerWaalsContact C-NH1 3.34Å; H286-R520 VanDerWaalsContact CA-NH1 3.33Å
287N43.8Very low57.6Low52 Ų5255.9 Ų55.928%0.27830%0.3SS..  trans-53.2107.8156.9-43.1-19000111.2L283 L289 H291 R520L283-N287 PolarHBondContact O-N 2.72Å; N287-L289 PolarHBondContact O-N 3.18Å; N287-H291 PolarHBondContact O-NE2 3.03Å; N287-R520 VanDerWaalsContact CB-NE 3.29Å; N287-R520 PolarHBondContact ND2-NE 3.16Å; N287-R520 PolarHBondContact ND2-NH2 3.39Å; N287-R520 PolarHBondContact O-NH1 3.43Å; N287-R520 VanDerWaalsContact O-NH1 3.1Å; N287-R520 PolarHBondContact OD1-NH2 3.01Å
288W48.1Very low57.8Low61 Ų6154 Ų5423%0.23129%0.287CS..SBendtrans54.6-21.1142.6-5975.4000120.9C217 H220 I280 H286 N483C217-W288 HydrophobicContact CB-CH2 3.66Å; C217-W288 HydrophobicContact CB-CZ3 4.31Å; H220-W288 HydrophobicContact CB-CD2 4.41Å; H220-W288 HydrophobicContact CB-CE3 3.29Å; H220-W288 HydrophobicContact CB-CH2 4.44Å; H220-W288 HydrophobicContact CB-CZ3 3.3Å; H220-W288 AromaticContact CG-CE3 3.43Å; H220-W288 VanDerWaalsContact CG-CE3 3.43Å; H220-W288 AromaticContact CG-CZ3 3.56Å; H220-W288 AromaticContact ND1-CE3 3.51Å; H220-W288 AromaticContact ND1-CZ3 3.36Å; H220-W288 WeakPolarHBondContact ND1-CZ3 3.46Å; I280-W288 HydrophobicContact CD1-CZ2 3.79Å; H286-W288 PolarHBondContact O-N 3.13Å; W288-N483 VanDerWaalsContact CE3-OD1 3.32Å; W288-N483 VanDerWaalsContact CH2-ND2 3.26Å; W288-N483 WeakPolarHBondContact CH2-ND2 3.48Å; W288-N483 WeakPolarHBondContact CH2-OD1 3.3Å; W288-N483 HydrophobicContact CZ3-CB 4.29Å; W288-N483 WeakPolarHBondContact CZ3-OD1 3.48Å
289L52Low58.8Low14 Ų1456.7 Ų56.77%0.07330%0.303CS..SBendtrans-111.9135.6-175.3-75.4156.6000111N287 H291 F513 D517N287-L289 PolarHBondContact O-N 3.18Å; L289-H291 PolarHBondContact O-CD2 3.02Å; L289-H291 PolarHBondContact O-CE1 2.73Å; L289-H291 VanDerWaalsContact O-CE1 3.31Å; L289-H291 PolarHBondContact O-N 2.9Å; L289-H291 PolarHBondContact O-NE2 2.62Å; L289-H291 VanDerWaalsContact O-NE2 3.09Å; L289-F513 HydrophobicContact CD1-CE1 3.85Å; L289-F513 HydrophobicContact CD1-CZ 4.34Å; L289-F513 HydrophobicContact CD2-CE1 3.63Å; L289-F513 HydrophobicContact CD2-CZ 3.71Å; L289-F513 HydrophobicContact CG-CE1 4.41Å; L289-D517 VanDerWaalsContact CD1-CG 3.48Å; L289-D517 WeakPolarHBondContact CD1-OD1 3.03Å
290P54.5Low60.4Low5 Ų555.2 Ų55.23%0.03229%0.294CS..  trans-55.9104.9168.4-23.733.6000109.1Q227 V292 Y309 F312 A313 L316Q227-P290 VanDerWaalsContact OE1-CG 3.24Å; P290-V292 PolarHBondContact O-N 3.22Å; P290-Y309 WeakPolarHBondContact O-CB 3.41Å; P290-Y309 WeakPolarHBondContact O-CD1 3.46Å; P290-Y309 VanDerWaalsContact O-CG 3.28Å; P290-F312 HydrophobicContact CB-CD1 3.45Å; P290-F312 VanDerWaalsContact CB-CD1 3.45Å; P290-F312 HydrophobicContact CB-CE1 3.89Å; P290-F312 HydrophobicContact CG-CD1 3.71Å; P290-F312 HydrophobicContact CG-CE1 4.25Å; P290-A313 HydrophobicContact CG-CB 3.97Å; P290-L316 HydrophobicContact CG-CD1 4.29Å
291H59.9Low62.4Low25 Ų2552.4 Ų52.412%0.11628%0.279CS..  trans-80.3-3.4177.8-63.6-50.9000113N287 L289 Y309 R520 I588N287-H291 PolarHBondContact O-NE2 3.03Å; L289-H291 PolarHBondContact O-CD2 3.02Å; L289-H291 PolarHBondContact O-CE1 2.73Å; L289-H291 VanDerWaalsContact O-CE1 3.31Å; L289-H291 PolarHBondContact O-N 2.9Å; L289-H291 PolarHBondContact O-NE2 2.62Å; L289-H291 VanDerWaalsContact O-NE2 3.09Å; H291-Y309 VanDerWaalsContact C-CE1 3.41Å; H291-Y309 VanDerWaalsContact O-CE1 3.26Å; H291-Y309 WeakPolarHBondContact O-CE1 3.41Å; H291-Y309 PolarHBondContact O-OH 3.35Å; H291-R520 WeakPolarHBondContact CE1-CD 3.44Å; H291-R520 PolarHBondContact NE2-NH1 2.66Å; H291-I588 HydrophobicContact CB-CD1 4.45Å
292V67.4Low64.6Low15 Ų1549.6 Ų49.69%0.09126%0.264CS..  trans-128.9135.6-177.2-169.20000110.3P290 I588 W590P290-V292 PolarHBondContact O-N 3.22Å; V292-I588 VanDerWaalsContact CG1-O 3.31Å; V292-I588 WeakPolarHBondContact CG1-O 3.33Å; V292-I588 HydrophobicContact CG2-CB 4.23Å; V292-I588 HydrophobicContact CG2-CG2 3.64Å; V292-W590 HydrophobicContact CG1-CB 4.13Å; V292-W590 HydrophobicContact CG1-CG 3.95Å
293L75.6Confident66.8Low3 Ų349.9 Ų49.92%0.01626%0.255CS..BIsolated β-bridgetrans-105.4151.2172.4-62165.2000109.2I295 N298 L301 P308 Y309 F312 I586L293-I295 PolarHBondContact O-N 2.77Å; L293-N298 HydrophobicContact CB-CB 4.46Å; L293-N298 WeakPolarHBondContact CD1-OD1 3.28Å; L293-L301 HydrophobicContact CD1-CD2 4.25Å; L293-L301 HydrophobicContact CD2-CD2 3.91Å; L293-P308 HydrophobicContact CD1-CB 3.44Å; L293-P308 VanDerWaalsContact CD1-CB 3.44Å; L293-P308 HydrophobicContact CD1-CG 4.47Å; L293-P308 HydrophobicContact CD2-CB 4.34Å; L293-P308 HydrophobicContact CG-CB 4.5Å; L293-Y309 HydrophobicContact CD1-CD1 4.1Å; L293-Y309 HydrophobicContact CD1-CE1 3.93Å; L293-Y309 HydrophobicContact CD2-CD1 3.8Å; L293-Y309 HydrophobicContact CD2-CE1 4.28Å; L293-Y309 HydrophobicContact CG-CD1 3.68Å; L293-Y309 HydrophobicContact CG-CE1 3.62Å; L293-F312 HydrophobicContact CD2-CB 3.65Å; L293-F312 HydrophobicContact CD2-CD2 4.47Å; L293-F312 HydrophobicContact CD2-CG 4.05Å; L293-I586 HydrophobicContact CD1-CG2 4.44Å
294P81Confident69.1Low18 Ų1849.6 Ų49.612%0.11725%0.254CS..  trans-57127.4170.6-22.934.5000110.5L186 F230 D296 M297 N298 F312L186-P294 HydrophobicContact CD1-CG 4.43Å; F230-P294 HydrophobicContact CE1-CG 3.87Å; P294-D296 PolarHBondContact O-N 3.23Å; P294-M297 HydrophobicContact CB-CB 4.31Å; P294-M297 HydrophobicContact CB-CG 4.24Å; P294-M297 HydrophobicContact CB-SD 4.33Å; P294-M297 HydrophobicContact CG-SD 4.37Å; P294-M297 PolarHBondContact O-N 3.49Å; P294-N298 PolarHBondContact O-N 3.45Å; P294-F312 HydrophobicContact CG-CD2 4.4Å; P294-F312 HydrophobicContact CG-CE2 3.74Å; P294-F312 HydrophobicContact CG-CZ 4.4Å
295I76.7Confident71.6Confident81 Ų8145 Ų4542%0.41523%0.225SC..Hα-helixtrans-58.3-36-172.2-166.6164.5000112.6L293 M297 T589L293-I295 PolarHBondContact O-N 2.77Å; I295-M297 PolarHBondContact O-N 3.21Å; I295-T589 HydrophobicContact CB-CG2 4.28Å; I295-T589 HydrophobicContact CG1-CG2 4.03Å
296D83.6Confident73.6Confident88 Ų8846.3 Ų46.347%0.47122%0.219SC..Hα-helixtrans-76.8-5.9-179.274.4-48.5000113.6K189 P294K189-D296 IonicContact NZ-OD1 2.69Å; K189-D296 PolarHBondContact NZ-OD1 2.91Å; K189-D296 IonicContact NZ-OD2 3.21Å; K189-D296 PolarHBondContact NZ-OD2 2.84Å; P294-D296 PolarHBondContact O-N 3.23Å
297M87.5Confident75.9Confident3 Ų342.1 Ų42.12%0.01520%0.201CC..Hα-helixtrans-114.9-19.9177.7-60.4-174-174.600113.2L182 R185 L186 K189 P294 I295 E299 E300 L301L182-M297 HydrophobicContact CD2-CB 4.01Å; L182-M297 HydrophobicContact CD2-CG 4.11Å; R185-M297 HydrophobicContact CB-CE 4.09Å; L186-M297 HydrophobicContact CB-CE 4.14Å; L186-M297 HydrophobicContact CB-SD 3.98Å; L186-M297 HydrophobicContact CD1-CE 4.45Å; L186-M297 HydrophobicContact CD1-SD 4.28Å; K189-M297 HydrophobicContact CD-CE 3.83Å; P294-M297 HydrophobicContact CB-CB 4.31Å; P294-M297 HydrophobicContact CB-CG 4.24Å; P294-M297 HydrophobicContact CB-SD 4.33Å; P294-M297 HydrophobicContact CG-SD 4.37Å; P294-M297 PolarHBondContact O-N 3.49Å; I295-M297 PolarHBondContact O-N 3.21Å; M297-E299 PolarHBondContact O-N 2.7Å; M297-E300 PolarHBondContact O-N 2.9Å; M297-L301 WeakPolarHBondContact O-CB 3.47Å; M297-L301 PolarHBondContact O-N 2.8Å
298N83Confident77.9Confident7 Ų739.8 Ų39.84%0.03719%0.188CC..Hα-helixtrans-55.6-54.7-170.7-176.634.8000113.7L293 P294 E300 L301 L302 T589L293-N298 HydrophobicContact CB-CB 4.46Å; L293-N298 WeakPolarHBondContact CD1-OD1 3.28Å; P294-N298 PolarHBondContact O-N 3.45Å; N298-E300 VanDerWaalsContact C-N 3.28Å; N298-E300 PolarHBondContact O-N 3.35Å; N298-L301 PolarHBondContact O-N 3.37Å; N298-L302 VanDerWaalsContact O-CB 3.3Å; N298-L302 WeakPolarHBondContact O-CB 3.39Å; N298-L302 WeakPolarHBondContact O-CG 3.27Å; N298-L302 PolarHBondContact O-N 3.46Å; N298-L302 VanDerWaalsContact OD1-CD1 3.27Å; N298-L302 WeakPolarHBondContact OD1-CD1 3.37Å; N298-T589 HydrophobicContact CB-CG2 4.29Å
299E85Confident79.6Confident147 Ų14737.3 Ų37.369%0.68718%0.179SC*.Hα-helixtrans-60.7-37.6-178.2-74.2-67.714300112.6M297 R303M297-E299 PolarHBondContact O-N 2.7Å; E299-R303 PolarHBondContact O-N 3.42Å
300E89.1Confident81.2Confident50 Ų5036.7 Ų36.723%0.23418%0.176CC..Hα-helixtrans-72.4-44.3178.8-165.4-176.9164.300111.1L182 R185 M297 N298 R303 L304L182-E300 HydrophobicContact CD1-CB 4.27Å; L182-E300 HydrophobicContact CD1-CG 3.98Å; L182-E300 HydrophobicContact CD2-CB 4.22Å; L182-E300 HydrophobicContact CD2-CG 4.3Å; L182-E300 HydrophobicContact CG-CG 4.28Å; R185-E300 IonicContact CZ-OE2 3.51Å; R185-E300 IonicContact NH1-OE2 3.7Å; R185-E300 PolarHBondContact NH1-OE2 2.98Å; R185-E300 VanDerWaalsContact NH1-OE2 3.08Å; R185-E300 IonicContact NH2-OE1 3.61Å; R185-E300 PolarHBondContact NH2-OE1 2.98Å; R185-E300 IonicContact NH2-OE2 3.42Å; R185-E300 PolarHBondContact NH2-OE2 3.03Å; M297-E300 PolarHBondContact O-N 2.9Å; N298-E300 VanDerWaalsContact C-N 3.28Å; N298-E300 PolarHBondContact O-N 3.35Å; E300-R303 WeakPolarHBondContact O-CB 3.33Å; E300-R303 PolarHBondContact O-N 3.49Å; E300-L304 HydrophobicContact CG-CD1 3.81Å; E300-L304 VanDerWaalsContact O-CG 3.23Å; E300-L304 WeakPolarHBondContact O-CG 3.32Å; E300-L304 PolarHBondContact O-N 3.3Å
301L89.4Confident83.1Confident2 Ų236.5 Ų36.51%0.0117%0.174CC..Hα-helixtrans-65.2-43.2179.1-174.658.7000111.6L179 L182 L293 M297 N298 R303 L304 H305 P308 W311L179-L301 HydrophobicContact CD2-CD1 3.96Å; L182-L301 HydrophobicContact CD1-CB 4.16Å; L182-L301 HydrophobicContact CD1-CD1 4.17Å; L293-L301 HydrophobicContact CD1-CD2 4.25Å; L293-L301 HydrophobicContact CD2-CD2 3.91Å; M297-L301 WeakPolarHBondContact O-CB 3.47Å; M297-L301 PolarHBondContact O-N 2.8Å; N298-L301 PolarHBondContact O-N 3.37Å; L301-R303 PolarHBondContact O-N 2.98Å; L301-L304 PolarHBondContact O-N 3.19Å; L301-H305 HydrophobicContact CD1-CB 3.76Å; L301-H305 HydrophobicContact CG-CB 4.43Å; L301-H305 PolarHBondContact O-N 3.21Å; L301-P308 HydrophobicContact CD2-CB 3.7Å; L301-P308 HydrophobicContact CG-CB 3.79Å; L301-P308 HydrophobicContact CG-CG 4.3Å; L301-W311 HydrophobicContact CD1-CB 4.31Å; L301-W311 HydrophobicContact CD1-CD2 3.57Å; L301-W311 HydrophobicContact CD1-CE3 3.69Å; L301-W311 HydrophobicContact CD1-CG 3.85Å; L301-W311 HydrophobicContact CD1-CZ3 4.29Å; L301-W311 HydrophobicContact CD2-CD2 4.19Å; L301-W311 HydrophobicContact CD2-CE3 3.49Å; L301-W311 VanDerWaalsContact CD2-CE3 3.49Å; L301-W311 HydrophobicContact CD2-CZ3 4Å; L301-W311 HydrophobicContact CG-CE3 4.27Å
302L85.4Confident84.6Confident60 Ų6035.4 Ų35.431%0.31417%0.17SC..Hα-helixtrans-58.3-27.6173.9-83.2170.9000113.9N298 P308 I586N298-L302 VanDerWaalsContact O-CB 3.3Å; N298-L302 WeakPolarHBondContact O-CB 3.39Å; N298-L302 WeakPolarHBondContact O-CG 3.27Å; N298-L302 PolarHBondContact O-N 3.46Å; N298-L302 VanDerWaalsContact OD1-CD1 3.27Å; N298-L302 WeakPolarHBondContact OD1-CD1 3.37Å; L302-P308 HydrophobicContact CD2-CG 3.92Å; L302-P308 HydrophobicContact CG-CG 4.38Å; L302-I586 HydrophobicContact CD1-CG2 4.38Å; L302-I586 HydrophobicContact CD2-CB 3.91Å; L302-I586 HydrophobicContact CD2-CD1 3.48Å; L302-I586 VanDerWaalsContact CD2-CD1 3.48Å; L302-I586 HydrophobicContact CD2-CG1 4.3Å; L302-I586 HydrophobicContact CD2-CG2 3.74Å; L302-I586 HydrophobicContact CG-CG2 4.36Å
303R86.3Confident85.7Confident138 Ų13834.8 Ų34.852%0.52117%0.166SC..Hα-helixtrans-81.5-25.7176.7-174.6-17765.1105.71.1112.3E299 E300 L301E299-R303 PolarHBondContact O-N 3.42Å; E300-R303 WeakPolarHBondContact O-CB 3.33Å; E300-R303 PolarHBondContact O-N 3.49Å; L301-R303 PolarHBondContact O-N 2.98Å
304L90Very high86.6Confident4 Ų434.6 Ų34.62%0.02117%0.165CC..Hα-helixtrans-108.9-22.9-168.1-63.8172.8000114I174 R175 L179 L182 E300 L301I174-L304 HydrophobicContact CG2-CD2 4.49Å; R175-L304 VanDerWaalsContact CD-O 3.25Å; R175-L304 WeakPolarHBondContact CD-O 3.4Å; R175-L304 WeakPolarHBondContact CG-O 3.37Å; L179-L304 HydrophobicContact CD2-CB 3.67Å; L179-L304 HydrophobicContact CG-CB 4.01Å; L182-L304 HydrophobicContact CD1-CD1 3.72Å; E300-L304 HydrophobicContact CG-CD1 3.81Å; E300-L304 VanDerWaalsContact O-CG 3.23Å; E300-L304 WeakPolarHBondContact O-CG 3.32Å; E300-L304 PolarHBondContact O-N 3.3Å; L301-L304 PolarHBondContact O-N 3.19Å
305H89Confident87.3Confident7 Ų734 Ų343%0.03216%0.161CC..  trans-132134.1-175.1-152.2-80.1000111.1L179 L301 A307 W311 Q493 D501 T503L179-H305 HydrophobicContact CD2-CB 4.04Å; L301-H305 HydrophobicContact CD1-CB 3.76Å; L301-H305 HydrophobicContact CG-CB 4.43Å; L301-H305 PolarHBondContact O-N 3.21Å; H305-A307 VanDerWaalsContact ND1-C 3.26Å; H305-A307 PolarHBondContact ND1-N 3.17Å; H305-A307 VanDerWaalsContact ND1-N 3.11Å; H305-A307 PolarHBondContact ND1-O 3.21Å; H305-A307 VanDerWaalsContact ND1-O 3.14Å; H305-W311 AromaticContact CD2-CD1 3.47Å; H305-W311 VanDerWaalsContact CD2-CD1 3.47Å; H305-W311 AromaticContact CD2-CG 3.92Å; H305-W311 AromaticContact NE2-CD1 3.71Å; H305-Q493 PolarHBondContact CE1-OE1 3.03Å; H305-Q493 VanDerWaalsContact CE1-OE1 3.29Å; H305-Q493 PolarHBondContact NE2-OE1 3.37Å; H305-D501 WeakPolarHBondContact CA-OD2 3.4Å; H305-D501 IonicContact CD2-OD1 2.96Å; H305-D501 IonicContact CE1-OD1 3.86Å; H305-D501 PolarHBondContact CE1-OD1 3.2Å; H305-D501 IonicContact CG-OD1 3.89Å; H305-D501 IonicContact ND1-OD1 2.81Å; H305-D501 IonicContact NE2-OD1 3.51Å; H305-D501 PolarHBondContact NE2-OD1 2.88Å; H305-T503 PolarHBondContact CE1-OG1 3.32Å; H305-T503 PolarHBondContact ND1-OG1 2.93Å
306E82.8Confident88.3Confident99 Ų9930.2 Ų30.246%0.46314%0.141SC..SBendtrans-69.6-37.2177-178.8177.2-178.300112.4P308 D501 T503 Q504E306-P308 VanDerWaalsContact C-CD 3.48Å; E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.1Å; E306-D501 PolarHBondContact N-OD2 2.94Å; E306-T503 HydrophobicContact CB-CG2 3.89Å; E306-T503 HydrophobicContact CG-CG2 3.95Å; E306-Q504 PolarHBondContact OE1-NE2 2.76Å; E306-Q504 WeakPolarHBondContact OE2-CG 3.32Å; E306-Q504 PolarHBondContact OE2-NE2 2.79Å
307A82.8Confident88.9Confident5 Ų526 Ų264%0.04112%0.119CC..  trans-11674.7177.200000114.8H305 Y309 V310 W311 T503 H514H305-A307 VanDerWaalsContact ND1-C 3.26Å; H305-A307 PolarHBondContact ND1-N 3.17Å; H305-A307 VanDerWaalsContact ND1-N 3.11Å; H305-A307 PolarHBondContact ND1-O 3.21Å; H305-A307 VanDerWaalsContact ND1-O 3.14Å; A307-Y309 PolarHBondContact O-N 3.06Å; A307-V310 HydrophobicContact CB-CB 4.16Å; A307-V310 HydrophobicContact CB-CG2 3.79Å; A307-V310 PolarHBondContact O-N 3.15Å; A307-W311 PolarHBondContact O-N 2.98Å; A307-T503 HydrophobicContact CB-CG2 3.53Å; A307-T503 PolarHBondContact N-OG1 3.23Å; A307-H514 VanDerWaalsContact CB-CE1 3.46Å; A307-H514 WeakPolarHBondContact CB-CE1 3.35Å
308P86.1Confident89.3Confident3 Ų327.2 Ų27.22%0.01913%0.129CC..Hα-helixtrans-53.5-39.8-175.5-32.838.4000116.5L293 L301 L302 E306 W311 F312L293-P308 HydrophobicContact CD1-CB 3.44Å; L293-P308 VanDerWaalsContact CD1-CB 3.44Å; L293-P308 HydrophobicContact CD1-CG 4.47Å; L293-P308 HydrophobicContact CD2-CB 4.34Å; L293-P308 HydrophobicContact CG-CB 4.5Å; L301-P308 HydrophobicContact CD2-CB 3.7Å; L301-P308 HydrophobicContact CG-CB 3.79Å; L301-P308 HydrophobicContact CG-CG 4.3Å; L302-P308 HydrophobicContact CD2-CG 3.92Å; L302-P308 HydrophobicContact CG-CG 4.38Å; E306-P308 VanDerWaalsContact C-CD 3.48Å; E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.1Å; P308-W311 WeakPolarHBondContact O-CB 3.34Å; P308-W311 PolarHBondContact O-N 3.35Å; P308-F312 PolarHBondContact O-N 3.09Å
309Y83.4Confident90.1Very high10 Ų1027 Ų274%0.03913%0.127CC..Hα-helixtrans-68.9-36-177.2-60.4-60.7000112.4P290 H291 L293 A307 F312 A313 L521 I586P290-Y309 WeakPolarHBondContact O-CB 3.41Å; P290-Y309 WeakPolarHBondContact O-CD1 3.46Å; P290-Y309 VanDerWaalsContact O-CG 3.28Å; H291-Y309 VanDerWaalsContact C-CE1 3.41Å; H291-Y309 VanDerWaalsContact O-CE1 3.26Å; H291-Y309 WeakPolarHBondContact O-CE1 3.41Å; H291-Y309 PolarHBondContact O-OH 3.35Å; L293-Y309 HydrophobicContact CD1-CD1 4.1Å; L293-Y309 HydrophobicContact CD1-CE1 3.93Å; L293-Y309 HydrophobicContact CD2-CD1 3.8Å; L293-Y309 HydrophobicContact CD2-CE1 4.28Å; L293-Y309 HydrophobicContact CG-CD1 3.68Å; L293-Y309 HydrophobicContact CG-CE1 3.62Å; A307-Y309 PolarHBondContact O-N 3.06Å; Y309-F312 PolarHBondContact O-N 3.09Å; Y309-A313 WeakPolarHBondContact O-CB 3.39Å; Y309-A313 PolarHBondContact O-N 3.39Å; Y309-L521 HydrophobicContact CE2-CD2 4Å; Y309-I586 HydrophobicContact CE2-CG2 3.97Å
310V87.5Confident90.6Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-67.2-42.9175.3-169.30000110.4A307 F312 A313 G314 Y489 E490 Q493 F513A307-V310 HydrophobicContact CB-CB 4.16Å; A307-V310 HydrophobicContact CB-CG2 3.79Å; A307-V310 PolarHBondContact O-N 3.15Å; V310-F312 VanDerWaalsContact C-N 3.3Å; V310-F312 PolarHBondContact O-N 2.83Å; V310-A313 PolarHBondContact O-N 2.96Å; V310-G314 PolarHBondContact O-N 2.98Å; V310-Y489 HydrophobicContact CB-CE1 4.4Å; V310-Y489 HydrophobicContact CG1-CD1 3.74Å; V310-Y489 HydrophobicContact CG1-CE1 3.4Å; V310-Y489 VanDerWaalsContact CG1-CE1 3.4Å; V310-Y489 HydrophobicContact CG2-CE1 4.32Å; V310-E490 HydrophobicContact CG1-CG 4.19Å; V310-Q493 HydrophobicContact CB-CG 4.3Å; V310-Q493 HydrophobicContact CG1-CG 3.61Å; V310-F513 HydrophobicContact CB-CE1 4.19Å; V310-F513 HydrophobicContact CB-CZ 4.48Å; V310-F513 HydrophobicContact CG1-CE1 4.1Å; V310-F513 HydrophobicContact CG1-CZ 3.96Å; V310-F513 HydrophobicContact CG2-CD1 3.58Å; V310-F513 HydrophobicContact CG2-CE1 3.15Å; V310-F513 HydrophobicContact CG2-CZ 3.86Å
311W92.5Very high91Very high1 Ų118.3 Ų18.30%0.0049%0.087CC..Hα-helixtrans-56.6-47.1173.5179.889.7000111.2L182 A183 L186 L301 H305 A307 P308 G314 Q315 H496L182-W311 HydrophobicContact CB-CH2 3.86Å; L182-W311 HydrophobicContact CB-CZ2 3.89Å; A183-W311 HydrophobicContact CB-CH2 4.5Å; A183-W311 HydrophobicContact CB-CZ2 3.86Å; L186-W311 HydrophobicContact CB-CH2 4.46Å; L186-W311 HydrophobicContact CD2-CH2 4.03Å; L186-W311 HydrophobicContact CD2-CZ3 3.71Å; L301-W311 HydrophobicContact CD1-CB 4.31Å; L301-W311 HydrophobicContact CD1-CD2 3.57Å; L301-W311 HydrophobicContact CD1-CE3 3.69Å; L301-W311 HydrophobicContact CD1-CG 3.85Å; L301-W311 HydrophobicContact CD1-CZ3 4.29Å; L301-W311 HydrophobicContact CD2-CD2 4.19Å; L301-W311 HydrophobicContact CD2-CE3 3.49Å; L301-W311 VanDerWaalsContact CD2-CE3 3.49Å; L301-W311 HydrophobicContact CD2-CZ3 4Å; L301-W311 HydrophobicContact CG-CE3 4.27Å; H305-W311 AromaticContact CD2-CD1 3.47Å; H305-W311 VanDerWaalsContact CD2-CD1 3.47Å; H305-W311 AromaticContact CD2-CG 3.92Å; H305-W311 AromaticContact NE2-CD1 3.71Å; A307-W311 PolarHBondContact O-N 2.98Å; P308-W311 WeakPolarHBondContact O-CB 3.34Å; P308-W311 PolarHBondContact O-N 3.35Å; W311-G314 PolarHBondContact O-N 1.98Å; W311-Q315 HydrophobicContact CD2-CG 4.18Å; W311-Q315 HydrophobicContact CE3-CG 4.08Å; W311-Q315 HydrophobicContact CH2-CG 3.76Å; W311-Q315 HydrophobicContact CZ2-CG 3.86Å; W311-Q315 HydrophobicContact CZ3-CG 3.87Å; W311-Q315 WeakPolarHBondContact O-CG 3.45Å; W311-Q315 PolarHBondContact O-N 2.74Å; W311-Q315 VanDerWaalsContact O-N 3.08Å; W311-H496 AromaticContact CD1-NE2 3.55Å; W311-H496 AromaticContact CE2-NE2 3.76Å; W311-H496 AromaticContact NE1-CD2 3.47Å; W311-H496 PolarHBondContact NE1-CD2 2.59Å; W311-H496 AromaticContact NE1-CE1 3.75Å; W311-H496 AromaticContact NE1-NE2 2.79Å; W311-H496 PolarHBondContact NE1-NE2 2.81Å
312F91.8Very high91.4Very high3 Ų320.3 Ų20.31%0.01310%0.095CC..Hα-helixtrans-64.1-45.3179.2-176.6-102.7000112L186 Q227 F230 P290 L293 P294 P308 Y309 V310 G314 Q315 L316L186-F312 HydrophobicContact CD1-CE2 3.88Å; L186-F312 HydrophobicContact CD2-CD2 3.48Å; L186-F312 VanDerWaalsContact CD2-CD2 3.48Å; L186-F312 HydrophobicContact CD2-CE2 3.62Å; L186-F312 HydrophobicContact CG-CE2 4.4Å; Q227-F312 HydrophobicContact CG-CE1 4.05Å; F230-F312 HydrophobicContact CD1-CZ 4.32Å; P290-F312 HydrophobicContact CB-CD1 3.45Å; P290-F312 VanDerWaalsContact CB-CD1 3.45Å; P290-F312 HydrophobicContact CB-CE1 3.89Å; P290-F312 HydrophobicContact CG-CD1 3.71Å; P290-F312 HydrophobicContact CG-CE1 4.25Å; L293-F312 HydrophobicContact CD2-CB 3.65Å; L293-F312 HydrophobicContact CD2-CD2 4.47Å; L293-F312 HydrophobicContact CD2-CG 4.05Å; P294-F312 HydrophobicContact CG-CD2 4.4Å; P294-F312 HydrophobicContact CG-CE2 3.74Å; P294-F312 HydrophobicContact CG-CZ 4.4Å; P308-F312 PolarHBondContact O-N 3.09Å; Y309-F312 PolarHBondContact O-N 3.09Å; V310-F312 VanDerWaalsContact C-N 3.3Å; V310-F312 PolarHBondContact O-N 2.83Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 3.03Å; F312-Q315 WeakPolarHBondContact O-CB 3.44Å; F312-Q315 PolarHBondContact O-N 2.97Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CD1-CG 4.43Å; F312-L316 HydrophobicContact CE1-CD1 3.75Å; F312-L316 HydrophobicContact CE1-CD2 4.31Å; F312-L316 HydrophobicContact CE1-CG 4.17Å; F312-L316 HydrophobicContact CZ-CD1 4.43Å; F312-L316 HydrophobicContact CZ-CD2 4.18Å; F312-L316 HydrophobicContact CZ-CG 4.48Å; F312-L316 PolarHBondContact O-N 3.01Å; F312-L316 VanDerWaalsContact O-N 3.09Å
313A90.8Very high91.9Very high1 Ų119.9 Ų19.91%0.00810%0.096CC..Hα-helixtrans-55.7-44.217300000111.8M223 P290 Y309 V310 Q315 L316 A317 E490M223-A313 HydrophobicContact CE-CB 3.83Å; M223-A313 VanDerWaalsContact CE-O 3.29Å; M223-A313 WeakPolarHBondContact CE-O 3.27Å; P290-A313 HydrophobicContact CG-CB 3.97Å; Y309-A313 WeakPolarHBondContact O-CB 3.39Å; Y309-A313 PolarHBondContact O-N 3.39Å; V310-A313 PolarHBondContact O-N 2.96Å; A313-Q315 VanDerWaalsContact C-N 3.29Å; A313-Q315 PolarHBondContact O-N 3.3Å; A313-L316 WeakPolarHBondContact O-CB 3.45Å; A313-L316 PolarHBondContact O-N 3.31Å; A313-L316 VanDerWaalsContact O-N 3.12Å; A313-A317 PolarHBondContact O-N 3.48Å; A313-E490 HydrophobicContact CB-CG 4.01Å
314G95Very high92.5Very high0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-56.9-39.317400000113.6V310 W311 F312 A317 A318 E490 T494V310-G314 PolarHBondContact O-N 2.98Å; W311-G314 PolarHBondContact O-N 1.98Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 3.03Å; G314-A317 PolarHBondContact O-N 2.91Å; G314-A318 WeakPolarHBondContact O-CB 3.19Å; G314-A318 PolarHBondContact O-N 3.37Å; G314-E490 WeakPolarHBondContact CA-O 3.42Å; G314-T494 VanDerWaalsContact O-CG2 3.27Å; G314-T494 WeakPolarHBondContact O-CG2 3.5Å
315Q96.5Very high92.8Very high6 Ų620.9 Ų20.93%0.02811%0.114CC..Hα-helixtrans-67-38.9175.7-63.2-55.9-4800112.4L186 Q187 W311 F312 A313 A318 Y319 H496L186-Q315 HydrophobicContact CD2-CB 3.68Å; L186-Q315 HydrophobicContact CD2-CG 3.92Å; Q187-Q315 PolarHBondContact NE2-O 2.85Å; W311-Q315 HydrophobicContact CD2-CG 4.18Å; W311-Q315 HydrophobicContact CE3-CG 4.08Å; W311-Q315 HydrophobicContact CH2-CG 3.76Å; W311-Q315 HydrophobicContact CZ2-CG 3.86Å; W311-Q315 HydrophobicContact CZ3-CG 3.87Å; W311-Q315 WeakPolarHBondContact O-CG 3.45Å; W311-Q315 PolarHBondContact O-N 2.74Å; W311-Q315 VanDerWaalsContact O-N 3.08Å; F312-Q315 WeakPolarHBondContact O-CB 3.44Å; F312-Q315 PolarHBondContact O-N 2.97Å; A313-Q315 VanDerWaalsContact C-N 3.29Å; A313-Q315 PolarHBondContact O-N 3.3Å; Q315-A318 PolarHBondContact O-N 2.96Å; Q315-Y319 PolarHBondContact O-N 3.47Å; Q315-H496 PolarHBondContact NE2-CE1 3.29Å
316L95.8Very high93.1Very high1 Ų128.5 Ų28.51%0.00515%0.147CC..Hα-helixtrans-64.3-47.4174.4-59.5177000111.1I190 M223 L226 Q227 P290 F312 A313 A318 Y319 I320I190-L316 HydrophobicContact CD1-CD2 4.02Å; M223-L316 HydrophobicContact CB-CB 4.36Å; M223-L316 HydrophobicContact CG-CB 4.28Å; L226-L316 HydrophobicContact CD2-CB 4.33Å; L226-L316 HydrophobicContact CD2-CD2 3.99Å; L226-L316 HydrophobicContact CG-CD2 4.1Å; Q227-L316 HydrophobicContact CB-CD1 3.86Å; P290-L316 HydrophobicContact CG-CD1 4.29Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CD1-CG 4.43Å; F312-L316 HydrophobicContact CE1-CD1 3.75Å; F312-L316 HydrophobicContact CE1-CD2 4.31Å; F312-L316 HydrophobicContact CE1-CG 4.17Å; F312-L316 HydrophobicContact CZ-CD1 4.43Å; F312-L316 HydrophobicContact CZ-CD2 4.18Å; F312-L316 HydrophobicContact CZ-CG 4.48Å; F312-L316 PolarHBondContact O-N 3.01Å; F312-L316 VanDerWaalsContact O-N 3.09Å; A313-L316 WeakPolarHBondContact O-CB 3.45Å; A313-L316 PolarHBondContact O-N 3.31Å; A313-L316 VanDerWaalsContact O-N 3.12Å; L316-A318 VanDerWaalsContact C-N 3.32Å; L316-A318 PolarHBondContact O-N 2.84Å; L316-Y319 PolarHBondContact O-N 3.2Å; L316-I320 WeakPolarHBondContact O-CG1 3.33Å; L316-I320 PolarHBondContact O-N 2.91Å; L316-I320 VanDerWaalsContact O-N 3.1Å
317A96.3Very high93.7Very high0 Ų024 Ų240%013%0.126CC..Hα-helixtrans-58.4-43.6176.600000111.7M223 A313 G314 Y319 I320 L321 L487 L491M223-A317 HydrophobicContact CE-CB 4.12Å; M223-A317 HydrophobicContact CG-CB 4.5Å; M223-A317 HydrophobicContact SD-CB 3.81Å; A313-A317 PolarHBondContact O-N 3.48Å; G314-A317 PolarHBondContact O-N 2.91Å; A317-Y319 PolarHBondContact O-N 2.89Å; A317-I320 PolarHBondContact O-N 3.46Å; A317-L321 WeakPolarHBondContact O-CB 3.2Å; A317-L321 PolarHBondContact O-N 3.16Å; A317-L487 HydrophobicContact CB-CD1 3.88Å; A317-L491 HydrophobicContact CB-CD2 3.71Å; A317-L491 HydrophobicContact CB-CG 4.12Å
318A97.6Very high94.4Very high28 Ų2825.5 Ų25.523%0.23114%0.136CC..Hα-helixtrans-64.4-36.2177.400000113.4G314 Q315 L316 R322 L491 T494G314-A318 WeakPolarHBondContact O-CB 3.19Å; G314-A318 PolarHBondContact O-N 3.37Å; Q315-A318 PolarHBondContact O-N 2.96Å; L316-A318 VanDerWaalsContact C-N 3.32Å; L316-A318 PolarHBondContact O-N 2.84Å; A318-R322 WeakPolarHBondContact O-CG 3.45Å; A318-L491 HydrophobicContact CB-CD2 4.49Å; A318-T494 HydrophobicContact CB-CG2 4.01Å
319Y98.1Very high94.9Very high1 Ų131.8 Ų31.80%0.00417%0.165CC..Hα-helixtrans-66.8-40.9175.9-175-90.7000111.6I190 Q191 Q194 L226 L258 Q315 L316 A317 R322I190-Y319 HydrophobicContact CB-CD2 4.12Å; I190-Y319 HydrophobicContact CB-CE2 4.17Å; I190-Y319 HydrophobicContact CG2-CD1 3.75Å; I190-Y319 HydrophobicContact CG2-CD2 3.63Å; I190-Y319 HydrophobicContact CG2-CE1 3.75Å; I190-Y319 HydrophobicContact CG2-CE2 3.63Å; I190-Y319 HydrophobicContact CG2-CG 3.7Å; Q191-Y319 HydrophobicContact CB-CE2 4.15Å; Q191-Y319 PolarHBondContact OE1-OH 2.95Å; Q194-Y319 WeakPolarHBondContact CB-OH 3.45Å; Q194-Y319 HydrophobicContact CG-CE1 4.09Å; L226-Y319 HydrophobicContact CD2-CD1 3.93Å; L258-Y319 WeakPolarHBondContact O-CE1 3.02Å; L258-Y319 PolarHBondContact O-OH 3.5Å; Q315-Y319 PolarHBondContact O-N 3.47Å; L316-Y319 PolarHBondContact O-N 3.2Å; A317-Y319 PolarHBondContact O-N 2.89Å; Y319-R322 WeakPolarHBondContact O-CG 3.42Å; Y319-R322 PolarHBondContact O-NE 2.83Å; Y319-R322 PolarHBondContact OH-NH2 3.48Å
320I97Very high95.4Very high0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-67.5-48178.3-69.5162.4000111.1M219 L222 M223 L226 L251 L258 L316 A317 R322M219-I320 HydrophobicContact CE-CB 4.27Å; M219-I320 HydrophobicContact CE-CG2 3.67Å; M219-I320 HydrophobicContact SD-CG2 4.06Å; L222-I320 HydrophobicContact CB-CD1 4.34Å; L222-I320 HydrophobicContact CD2-CB 4.25Å; L222-I320 HydrophobicContact CD2-CD1 3.74Å; L222-I320 HydrophobicContact CD2-CG1 3.87Å; L222-I320 HydrophobicContact CD2-CG2 3.36Å; L222-I320 HydrophobicContact CG-CD1 3.72Å; L222-I320 HydrophobicContact CG-CG1 4.25Å; M223-I320 HydrophobicContact CB-CD1 4.34Å; M223-I320 HydrophobicContact CG-CD1 3.61Å; L226-I320 HydrophobicContact CD2-CD1 4.07Å; L226-I320 HydrophobicContact CD2-CG1 3.93Å; L251-I320 HydrophobicContact CD1-CG2 4.02Å; L258-I320 HydrophobicContact CD2-CB 4.44Å; L258-I320 HydrophobicContact CD2-CG1 3.95Å; L316-I320 WeakPolarHBondContact O-CG1 3.33Å; L316-I320 PolarHBondContact O-N 2.91Å; L316-I320 VanDerWaalsContact O-N 3.1Å; A317-I320 PolarHBondContact O-N 3.46Å; I320-R322 VanDerWaalsContact C-N 3.26Å; I320-R322 PolarHBondContact O-N 2.98Å
321L96.8Very high95.8Very high15 Ų1535.8 Ų35.88%0.07919%0.187CC..THydrogen-bonded Turntrans-87.324.7-171.5-67.1175.6000114.2M219 W250 A317 P323 L491M219-L321 HydrophobicContact CE-CD1 3.82Å; M219-L321 HydrophobicContact CE-CD2 3.89Å; M219-L321 HydrophobicContact CE-CG 3.66Å; M219-L321 HydrophobicContact SD-CD2 3.86Å; M219-L321 HydrophobicContact SD-CG 4.33Å; W250-L321 HydrophobicContact CH2-CD2 4.4Å; W250-L321 HydrophobicContact CZ3-CD2 4.28Å; A317-L321 WeakPolarHBondContact O-CB 3.2Å; A317-L321 PolarHBondContact O-N 3.16Å; L321-P323 WeakPolarHBondContact O-CD 3.49Å; L321-L491 HydrophobicContact CD1-CD1 3.95Å; L321-L491 HydrophobicContact CD1-CD2 4.47Å
322R97.5Very high95.9Very high45 Ų4539.3 Ų39.317%0.1721%0.205CC..  trans-61.6108.1175.1-70.4177.9-65.81702.2109.4T255 L256 P257 A318 Y319 I320T255-R322 CarbonylContact C-O 3.59Å; T255-R322 WeakPolarHBondContact CA-O 3.37Å; T255-R322 WeakPolarHBondContact CB-O 3.49Å; L256-R322 HydrophobicContact CB-CB 4.12Å; L256-R322 HydrophobicContact CD1-CB 4.05Å; L256-R322 HydrophobicContact CG-CB 4.17Å; L256-R322 PolarHBondContact N-O 3.46Å; P257-R322 PolarHBondContact O-NH2 3.39Å; A318-R322 WeakPolarHBondContact O-CG 3.45Å; Y319-R322 WeakPolarHBondContact O-CG 3.42Å; Y319-R322 PolarHBondContact O-NE 2.83Å; Y319-R322 PolarHBondContact OH-NH2 3.48Å; I320-R322 VanDerWaalsContact C-N 3.26Å; I320-R322 PolarHBondContact O-N 2.98Å
323P97.2Very high96.1Very high51 Ų5142.1 Ų42.133%0.33123%0.229SC..BIsolated β-bridgetrans-78145.1-169.332.2-34.5000111.1L321 F327 I331L321-P323 WeakPolarHBondContact O-CD 3.49Å; P323-F327 HydrophobicContact CB-CD1 3.95Å; P323-I331 HydrophobicContact CB-CD1 4.11Å; P323-I331 HydrophobicContact CG-CD1 4.42Å
324K97.5Very high96.2Very high64 Ų6443.1 Ų43.128%0.27824%0.235SC..  trans-69.9157.1163-78.6167.8168.8169.70110.2H252 Q253 N254 T255 L256 K326 F327 S328H252-K324 PolarHBondContact O-NZ 3.06Å; Q253-K324 WeakPolarHBondContact O-CD 3.23Å; N254-K324 PolarHBondContact O-N 2.66Å; T255-K324 WeakPolarHBondContact O-CD 3.27Å; T255-K324 WeakPolarHBondContact O-CE 3.43Å; L256-K324 HydrophobicContact CD2-CG 4.06Å; K324-K326 PolarHBondContact O-N 3.36Å; K324-F327 PolarHBondContact O-N 3.28Å; K324-F327 VanDerWaalsContact O-N 3.09Å; K324-S328 PolarHBondContact O-N 3.26Å
325P97.1Very high96.3Very high99 Ų9944 Ų4464%0.64324%0.24SC*.Hα-helixtrans-51-47.2-174.3-30.536.1000114.7F327 S328 E329P325-F327 VanDerWaalsContact C-N 3.35Å; P325-F327 PolarHBondContact O-N 3.25Å; P325-S328 WeakPolarHBondContact O-CB 3.23Å; P325-S328 PolarHBondContact O-N 3.29Å; P325-S328 VanDerWaalsContact O-N 3.15Å; P325-E329 PolarHBondContact O-N 2.94Å
326K95.5Very high96.2Very high167 Ų16751 Ų5173%0.72627%0.27SS*.Hα-helixtrans-58.7-42.5179.6-175-179.9179.7-177.40113K324K324-K326 PolarHBondContact O-N 3.36Å
327F95.9Very high96Very high4 Ų453.9 Ų53.92%0.01829%0.29CS..Hα-helixtrans-74.3-34.5178.6-172.2-119.7000111.5W250 N254 P323 K324 P325 E329 L330 I331 N461 V464 I465 I468W250-F327 AromaticContact CH2-CE1 3.95Å; W250-F327 HydrophobicContact CH2-CE1 3.95Å; W250-F327 HydrophobicContact CH2-CZ 4.24Å; W250-F327 HydrophobicContact CZ2-CD1 4.25Å; W250-F327 AromaticContact CZ2-CE1 3.64Å; W250-F327 HydrophobicContact CZ2-CE1 3.64Å; W250-F327 AromaticContact CZ2-CE2 3.98Å; W250-F327 HydrophobicContact CZ2-CE2 3.98Å; W250-F327 AromaticContact CZ2-CZ 3.53Å; W250-F327 HydrophobicContact CZ2-CZ 3.53Å; N254-F327 HydrophobicContact CB-CB 4.04Å; N254-F327 HydrophobicContact CB-CD1 4.16Å; N254-F327 HydrophobicContact CB-CD2 4.35Å; N254-F327 HydrophobicContact CB-CG 3.93Å; P323-F327 HydrophobicContact CB-CD1 3.95Å; K324-F327 PolarHBondContact O-N 3.28Å; K324-F327 VanDerWaalsContact O-N 3.09Å; P325-F327 VanDerWaalsContact C-N 3.35Å; P325-F327 PolarHBondContact O-N 3.25Å; F327-E329 VanDerWaalsContact C-N 3.28Å; F327-E329 PolarHBondContact O-N 2.79Å; F327-L330 HydrophobicContact CD2-CD1 4.25Å; F327-L330 PolarHBondContact O-N 3.03Å; F327-L330 VanDerWaalsContact O-N 3.17Å; F327-I331 HydrophobicContact CD1-CD1 3.65Å; F327-I331 HydrophobicContact CD1-CG1 4.36Å; F327-I331 HydrophobicContact CE1-CD1 3.5Å; F327-I331 HydrophobicContact CE1-CG1 4.03Å; F327-I331 HydrophobicContact CG-CD1 4.42Å; F327-I331 HydrophobicContact CZ-CD1 4.15Å; F327-I331 HydrophobicContact CZ-CG1 4.17Å; F327-I331 WeakPolarHBondContact O-CG1 3.24Å; F327-I331 PolarHBondContact O-N 3.11Å; F327-I331 VanDerWaalsContact O-N 3.09Å; F327-N461 WeakPolarHBondContact CE2-OD1 3.28Å; F327-V464 HydrophobicContact CE1-CG1 3.73Å; F327-V464 HydrophobicContact CZ-CB 3.98Å; F327-V464 HydrophobicContact CZ-CG1 3.65Å; F327-I465 HydrophobicContact CE2-CD1 4.08Å; F327-I465 HydrophobicContact CE2-CG1 3.81Å; F327-I465 HydrophobicContact CZ-CG1 3.82Å; F327-I468 HydrophobicContact CE1-CD1 4.45Å
328S96.6Very high95.8Very high36 Ų3654 Ų5425%0.25229%0.291SS..Hα-helixtrans-58.9-37.5173.6-172.20000112.6K324 P325 L330 I331 N332K324-S328 PolarHBondContact O-N 3.26Å; P325-S328 WeakPolarHBondContact O-CB 3.23Å; P325-S328 PolarHBondContact O-N 3.29Å; P325-S328 VanDerWaalsContact O-N 3.15Å; S328-L330 PolarHBondContact O-N 2.93Å; S328-I331 PolarHBondContact O-N 3.11Å; S328-N332 WeakPolarHBondContact O-CB 3.45Å; S328-N332 PolarHBondContact O-N 3.36Å; S328-N332 PolarHBondContact O-ND2 2.87Å; S328-N332 VanDerWaalsContact O-ND2 3.14Å; S328-N332 PolarHBondContact OG-ND2 3.32Å
329E96.2Very high95.5Very high135 Ų13555.8 Ų55.863%0.63129%0.294SS*.Hα-helixtrans-60.9-43.1174.8-71171.8-171.900112.6P325 F327 N332 A333P325-E329 PolarHBondContact O-N 2.94Å; F327-E329 VanDerWaalsContact C-N 3.28Å; F327-E329 PolarHBondContact O-N 2.79Å; E329-N332 PolarHBondContact O-N 3.37Å; E329-A333 WeakPolarHBondContact O-CB 3.41Å; E329-A333 PolarHBondContact O-N 3.24Å
330L93.9Very high94.9Very high83 Ų8360 Ų6044%0.43533%0.328SS..Hα-helixtrans-65.2-41.9177.6-63176.2000112F327 S328 T334 I465F327-L330 HydrophobicContact CD2-CD1 4.25Å; F327-L330 PolarHBondContact O-N 3.03Å; F327-L330 VanDerWaalsContact O-N 3.17Å; S328-L330 PolarHBondContact O-N 2.93Å; L330-T334 PolarHBondContact O-N 3.46Å; L330-T334 PolarHBondContact O-OG1 3.28Å; L330-I465 HydrophobicContact CB-CD1 4.1Å
331I95.7Very high94.3Very high12 Ų1262.9 Ų62.96%0.06235%0.348CS..Hα-helixtrans-59.6-52.4173.2-67.7161.9000109.7P323 F327 S328 A333 T334 L335 I465 I468P323-I331 HydrophobicContact CB-CD1 4.11Å; P323-I331 HydrophobicContact CG-CD1 4.42Å; F327-I331 HydrophobicContact CD1-CD1 3.65Å; F327-I331 HydrophobicContact CD1-CG1 4.36Å; F327-I331 HydrophobicContact CE1-CD1 3.5Å; F327-I331 HydrophobicContact CE1-CG1 4.03Å; F327-I331 HydrophobicContact CG-CD1 4.42Å; F327-I331 HydrophobicContact CZ-CD1 4.15Å; F327-I331 HydrophobicContact CZ-CG1 4.17Å; F327-I331 WeakPolarHBondContact O-CG1 3.24Å; F327-I331 PolarHBondContact O-N 3.11Å; F327-I331 VanDerWaalsContact O-N 3.09Å; S328-I331 PolarHBondContact O-N 3.11Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 2.98Å; I331-T334 WeakPolarHBondContact O-CB 3.45Å; I331-T334 PolarHBondContact O-N 3.44Å; I331-L335 HydrophobicContact CG2-CD1 3.79Å; I331-L335 HydrophobicContact CG2-CG 4.09Å; I331-L335 WeakPolarHBondContact O-CG 3.26Å; I331-L335 PolarHBondContact O-N 3.14Å; I331-I465 HydrophobicContact CG1-CG1 4.35Å; I331-I468 HydrophobicContact CD1-CD1 3.49Å; I331-I468 VanDerWaalsContact CD1-CD1 3.49Å; I331-I468 HydrophobicContact CG1-CD1 3.99Å; I331-I468 HydrophobicContact CG2-CG2 3.65Å
332N96Very high93.7Very high74 Ų7465.4 Ų65.440%0.39638%0.379SS..Hα-helixtrans-61.9-35.3-176.6-73.9-29.3000112.7S328 E329 T334 L335 K336S328-N332 WeakPolarHBondContact O-CB 3.45Å; S328-N332 PolarHBondContact O-N 3.36Å; S328-N332 PolarHBondContact O-ND2 2.87Å; S328-N332 VanDerWaalsContact O-ND2 3.14Å; S328-N332 PolarHBondContact OG-ND2 3.32Å; E329-N332 PolarHBondContact O-N 3.37Å; N332-T334 VanDerWaalsContact C-N 3.34Å; N332-L335 PolarHBondContact O-N 3.21Å; N332-K336 WeakPolarHBondContact O-CB 3.42Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.27Å; N332-K336 PolarHBondContact O-N 3.45Å
333A94.6Very high93.3Very high63 Ų6365.3 Ų65.352%0.52138%0.381SS..Hα-helixtrans-61.3-43.4173.600000111.7E329 I331E329-A333 WeakPolarHBondContact O-CB 3.41Å; E329-A333 PolarHBondContact O-N 3.24Å; I331-A333 VanDerWaalsContact C-N 3.29Å; I331-A333 PolarHBondContact O-N 2.98Å
334T94.3Very high93.2Very high22 Ų2263.8 Ų63.814%0.13537%0.372CS..Hα-helixtrans-65.6-47.8175.4-58.90000111.1L330 I331 N332 K336 S337 Y418 R445 I465 A469L330-T334 PolarHBondContact O-N 3.46Å; L330-T334 PolarHBondContact O-OG1 3.28Å; I331-T334 WeakPolarHBondContact O-CB 3.45Å; I331-T334 PolarHBondContact O-N 3.44Å; N332-T334 VanDerWaalsContact C-N 3.34Å; T334-K336 VanDerWaalsContact C-N 3.34Å; T334-K336 PolarHBondContact O-N 2.87Å; T334-S337 WeakPolarHBondContact O-CB 3.38Å; T334-S337 PolarHBondContact O-N 2.82Å; T334-S337 VanDerWaalsContact O-N 3.09Å; T334-S337 PolarHBondContact O-OG 3.18Å; T334-Y418 HydrophobicContact CG2-CE2 4.02Å; T334-R445 PolarHBondContact OG1-NH1 3.33Å; T334-I465 HydrophobicContact CG2-CG2 3.94Å; T334-I465 VanDerWaalsContact OG1-CG2 3.25Å; T334-I465 WeakPolarHBondContact OG1-CG2 3.43Å; T334-A469 HydrophobicContact CG2-CB 4.02Å
335L95.5Very high93.1Very high17 Ų1760.9 Ų60.99%0.08936%0.359CS..Hα-helixtrans-62-39.4-178.8-64.6-178.2000112.7I331 N332 S337 F338 K339 A469 M472I331-L335 HydrophobicContact CG2-CD1 3.79Å; I331-L335 HydrophobicContact CG2-CG 4.09Å; I331-L335 WeakPolarHBondContact O-CG 3.26Å; I331-L335 PolarHBondContact O-N 3.14Å; N332-L335 PolarHBondContact O-N 3.21Å; L335-S337 PolarHBondContact O-N 2.98Å; L335-F338 HydrophobicContact CD2-CE1 3.82Å; L335-F338 HydrophobicContact CD2-CZ 3.6Å; L335-F338 PolarHBondContact O-N 3.35Å; L335-K339 VanDerWaalsContact O-CB 3.29Å; L335-K339 WeakPolarHBondContact O-CB 3.44Å; L335-K339 WeakPolarHBondContact O-CG 3.03Å; L335-K339 PolarHBondContact O-N 3.13Å; L335-A469 HydrophobicContact CD2-CB 4.4Å; L335-M472 HydrophobicContact CD1-CE 3.86Å; L335-M472 HydrophobicContact CD1-CG 4.22Å; L335-M472 HydrophobicContact CD2-CB 3.55Å; L335-M472 HydrophobicContact CD2-CG 3.82Å
336K95Very high93.2Very high153 Ų15356.1 Ų56.167%0.66533%0.328SS*.Hα-helixtrans-59.4-29.7175.8-78.5175.2-179.3-179.50112.8N332 T334 F338 A340N332-K336 WeakPolarHBondContact O-CB 3.42Å; N332-K336 VanDerWaalsContact O-CG 3.25Å; N332-K336 WeakPolarHBondContact O-CG 3.27Å; N332-K336 PolarHBondContact O-N 3.45Å; T334-K336 VanDerWaalsContact C-N 3.34Å; T334-K336 PolarHBondContact O-N 2.87Å; K336-F338 VanDerWaalsContact C-N 3.3Å; K336-F338 PolarHBondContact O-N 2.6Å; K336-A340 VanDerWaalsContact O-CB 3.25Å; K336-A340 WeakPolarHBondContact O-CB 3.43Å; K336-A340 PolarHBondContact O-N 3.04Å
337S92Very high93.3Very high62 Ų6248.2 Ų48.243%0.43429%0.294SS..Hα-helixtrans-62-35.9-177.773.20000113.2T334 L335 Y440T334-S337 WeakPolarHBondContact O-CB 3.38Å; T334-S337 PolarHBondContact O-N 2.82Å; T334-S337 VanDerWaalsContact O-N 3.09Å; T334-S337 PolarHBondContact O-OG 3.18Å; L335-S337 PolarHBondContact O-N 2.98Å; S337-Y440 WeakPolarHBondContact O-CE1 3.29Å
338F92Very high93.4Very high2 Ų248 Ų481%0.00929%0.293CS..Hα-helixtrans-115.1-20.6-175.969.3-95.7000114L335 K336 V345 Y418 Y440 A469 M472 T473L335-F338 HydrophobicContact CD2-CE1 3.82Å; L335-F338 HydrophobicContact CD2-CZ 3.6Å; L335-F338 PolarHBondContact O-N 3.35Å; K336-F338 VanDerWaalsContact C-N 3.3Å; K336-F338 PolarHBondContact O-N 2.6Å; F338-V345 HydrophobicContact CB-CG2 4.31Å; F338-V345 HydrophobicContact CD2-CB 4.14Å; F338-V345 HydrophobicContact CD2-CG1 4.11Å; F338-V345 HydrophobicContact CD2-CG2 4.03Å; F338-Y418 AromaticContact CD1-CD2 3.65Å; F338-Y418 HydrophobicContact CD1-CD2 3.65Å; F338-Y418 HydrophobicContact CD1-CE2 4.06Å; F338-Y418 AromaticContact CE1-CD2 3.81Å; F338-Y418 HydrophobicContact CE1-CD2 3.81Å; F338-Y418 AromaticContact CE1-CE2 3.99Å; F338-Y418 HydrophobicContact CE1-CE2 3.99Å; F338-Y418 HydrophobicContact CG-CD2 4.33Å; F338-Y440 HydrophobicContact CB-CD1 3.83Å; F338-Y440 HydrophobicContact CB-CD2 3.43Å; F338-Y440 VanDerWaalsContact CB-CD2 3.43Å; F338-Y440 HydrophobicContact CB-CE1 4.09Å; F338-Y440 HydrophobicContact CB-CE2 3.69Å; F338-Y440 HydrophobicContact CB-CG 3.49Å; F338-Y440 VanDerWaalsContact CB-CG 3.49Å; F338-A469 HydrophobicContact CE1-CB 4Å; F338-A469 HydrophobicContact CZ-CB 4.33Å; F338-M472 HydrophobicContact CZ-CB 4.27Å; F338-T473 HydrophobicContact CE2-CG2 4.18Å; F338-T473 HydrophobicContact CZ-CG2 4.49Å
339K90.2Very high93.4Very high67 Ų6746.8 Ų46.829%0.29128%0.283SS..Hα-helixtrans-84-17.3177.7-68.5-161.3165.9-164.20114.4L335 S341 G342 M472 E498L335-K339 VanDerWaalsContact O-CB 3.29Å; L335-K339 WeakPolarHBondContact O-CB 3.44Å; L335-K339 WeakPolarHBondContact O-CG 3.03Å; L335-K339 PolarHBondContact O-N 3.13Å; K339-S341 VanDerWaalsContact C-N 3.27Å; K339-S341 PolarHBondContact O-N 2.68Å; K339-G342 PolarHBondContact O-N 3.27Å; K339-M472 WeakPolarHBondContact CE-O 3.35Å; K339-M472 VanDerWaalsContact NZ-CE 3.26Å; K339-M472 PolarHBondContact NZ-O 3.3Å; K339-E498 IonicContact NZ-OE2 3.97Å
340A86.9Confident93.4Very high88 Ų8840.3 Ų40.373%0.72725%0.253SS*.THydrogen-bonded Turntrans-64.2-27.1-172.100000114.3K336K336-A340 VanDerWaalsContact O-CB 3.25Å; K336-A340 WeakPolarHBondContact O-CB 3.43Å; K336-A340 PolarHBondContact O-N 3.04Å
341S83.2Confident93Very high61 Ų6138.6 Ų38.643%0.42724%0.241SC..THydrogen-bonded Turntrans-75.3-23.917959.30000113.4K339 D343K339-S341 VanDerWaalsContact C-N 3.27Å; K339-S341 PolarHBondContact O-N 2.68Å; S341-D343 PolarHBondContact O-N 2.9Å; S341-D343 PolarHBondContact OG-N 3.25Å
342G85.7Confident92.5Very high69 Ų6939 Ų3971%0.71124%0.242SC*.  trans69.60.5-167.700000114.4K339K339-G342 PolarHBondContact O-N 3.27Å
343D89.4Confident91.7Very high42 Ų4237.4 Ų37.423%0.22523%0.234CC..  trans-72.7145.2172.6-71.4-52.8000110S341 V345S341-D343 PolarHBondContact O-N 2.9Å; S341-D343 PolarHBondContact OG-N 3.25Å; D343-V345 PolarHBondContact O-N 3.2Å
344P93.3Very high90.7Very high20 Ų2036.1 Ų36.113%0.1322%0.219CC..  trans-62.5132.8175.923.8-32.7000112F375 F376 A413 D474P344-F375 HydrophobicContact CB-CE1 4.36Å; P344-F375 HydrophobicContact CB-CZ 4.48Å; P344-F376 HydrophobicContact CB-CE1 4.5Å; P344-F376 HydrophobicContact CG-CE1 4.15Å; P344-A413 HydrophobicContact CG-CB 3.91Å; P344-D474 VanDerWaalsContact CA-OD2 3.26Å; P344-D474 WeakPolarHBondContact CA-OD2 3.13Å; P344-D474 HydrophobicContact CB-CB 4.38Å
345V96.4Very high89.3Confident2 Ų235.5 Ų35.51%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-118.1130.8178.9-175.90000109.6F338 D343 Y440 T473 D474F338-V345 HydrophobicContact CB-CG2 4.31Å; F338-V345 HydrophobicContact CD2-CB 4.14Å; F338-V345 HydrophobicContact CD2-CG1 4.11Å; F338-V345 HydrophobicContact CD2-CG2 4.03Å; D343-V345 PolarHBondContact O-N 3.2Å; V345-Y440 HydrophobicContact CG1-CD2 4.27Å; V345-Y440 HydrophobicContact CG2-CE2 4.28Å; V345-T473 HydrophobicContact CG1-CG2 4.34Å; V345-T473 WeakPolarHBondContact O-CB 3.26Å; V345-D474 PolarHBondContact N-OD2 3.37Å; V345-D474 PolarHBondContact O-N 2.86Å
346V98.1Very high88Confident0 Ų037.5 Ų37.50%022%0.224CC..EExtended strand (participates in β ladder)trans-94.2123.4173.1-1760000109.7V348 V372 F375 F376 S416 V417 Y418 F475 V477V346-V348 HydrophobicContact CG1-CG2 4.29Å; V346-V372 HydrophobicContact CB-CG1 4.14Å; V346-V372 HydrophobicContact CB-CG2 4.46Å; V346-V372 HydrophobicContact CG1-CG1 4.35Å; V346-V372 HydrophobicContact CG1-CG2 3.86Å; V346-V372 HydrophobicContact CG2-CG1 4.14Å; V346-F375 HydrophobicContact CG2-CD1 3.22Å; V346-F375 HydrophobicContact CG2-CE1 3.47Å; V346-F375 VanDerWaalsContact CG2-CE1 3.47Å; V346-F375 HydrophobicContact CG2-CG 4.03Å; V346-F375 HydrophobicContact CG2-CZ 4.46Å; V346-F376 HydrophobicContact CG2-CD2 4.39Å; V346-F376 HydrophobicContact CG2-CE2 3.61Å; V346-F376 HydrophobicContact CG2-CZ 3.81Å; V346-S416 PolarHBondContact N-O 2.83Å; V346-V417 CarbonylContact O-C 3.59Å; V346-V417 VanDerWaalsContact O-CA 3.25Å; V346-V417 WeakPolarHBondContact O-CA 3.46Å; V346-Y418 PolarHBondContact O-N 2.91Å; V346-F475 CarbonylContact C-O 3.56Å; V346-F475 WeakPolarHBondContact CA-O 3.32Å; V346-F475 HydrophobicContact CG1-CB 4.32Å; V346-F475 HydrophobicContact CG1-CD1 4.1Å; V346-F475 WeakPolarHBondContact CG1-O 3.16Å; V346-F475 HydrophobicContact CG2-CB 4.29Å; V346-V477 HydrophobicContact CG1-CG2 3.83Å
347G98.3Very high86.4Confident0 Ų036.8 Ų36.80%023%0.226CC..EExtended strand (participates in β ladder)trans-75.9127170.100000110.1Y418 T473 F475 L476 V477G347-Y418 CarbonylContact C-O 3.6Å; G347-Y418 WeakPolarHBondContact CA-O 2.77Å; G347-T473 PolarHBondContact N-OG1 3.08Å; G347-F475 PolarHBondContact N-O 3.09Å; G347-L476 CarbonylContact O-C 3.56Å; G347-L476 WeakPolarHBondContact O-CA 3.48Å; G347-V477 PolarHBondContact O-N 3.22Å
348V98.4Very high84.9Confident0 Ų040.5 Ų40.50%024%0.24CC..EExtended strand (participates in β ladder)trans-120.9119.3176.4179.10000108.3V346 I350 Y368 V372 V417 Y418 L419 A420 V477V346-V348 HydrophobicContact CG1-CG2 4.29Å; V348-I350 HydrophobicContact CG1-CD1 4.02Å; V348-I350 HydrophobicContact CG1-CG1 3.8Å; V348-Y368 HydrophobicContact CG1-CD1 4.01Å; V348-Y368 HydrophobicContact CG1-CG 4.2Å; V348-V372 HydrophobicContact CG2-CG2 3.6Å; V348-V417 HydrophobicContact CB-CG1 3.93Å; V348-V417 HydrophobicContact CG2-CG1 3.6Å; V348-V417 HydrophobicContact CG2-CG2 4.39Å; V348-Y418 PolarHBondContact N-O 3.36Å; V348-L419 HydrophobicContact CB-CD1 4.29Å; V348-L419 HydrophobicContact CG1-CD1 4.09Å; V348-L419 WeakPolarHBondContact O-CA 3.36Å; V348-A420 PolarHBondContact O-N 2.85Å; V348-V477 WeakPolarHBondContact CA-O 3.4Å; V348-V477 HydrophobicContact CG2-CB 4.45Å
349H97.3Very high83.4Confident10 Ų1046.5 Ų46.55%0.04627%0.269CS..EExtended strand (participates in β ladder)trans-114111.8176.9172.3-94.8000111Y368 A420 L470 V477 C478 S482 I484H349-Y368 WeakPolarHBondContact O-CE1 3.29Å; H349-A420 VanDerWaalsContact CA-O 3.3Å; H349-A420 WeakPolarHBondContact CA-O 3.27Å; H349-L470 HydrophobicContact CB-CD1 3.83Å; H349-L470 HydrophobicContact CB-CD2 4.21Å; H349-V477 PolarHBondContact N-O 3.37Å; H349-C478 HydrophobicContact CB-CB 3.91Å; H349-S482 PolarHBondContact CE1-OG 3.35Å; H349-S482 VanDerWaalsContact CE1-OG 3.24Å; H349-I484 WeakPolarHBondContact NE2-CG2 3.33Å
350I94.8Very high82.2Confident0 Ų044.4 Ų44.40%026%0.264CS..EExtended strand (participates in β ladder)trans-111.9109.6-178.6-53.5-168.9000109V348 R352 L365 Y368 L419 A420 T421 V426V348-I350 HydrophobicContact CG1-CD1 4.02Å; V348-I350 HydrophobicContact CG1-CG1 3.8Å; I350-R352 HydrophobicContact CG2-CG 4.1Å; I350-L365 HydrophobicContact CD1-CD1 3.5Å; I350-Y368 HydrophobicContact CD1-CD1 4.41Å; I350-Y368 HydrophobicContact CD1-CD2 3.8Å; I350-Y368 HydrophobicContact CD1-CE2 4.09Å; I350-Y368 HydrophobicContact CD1-CG 4Å; I350-Y368 HydrophobicContact CG1-CD1 3.96Å; I350-Y368 HydrophobicContact CG1-CD2 4.07Å; I350-Y368 HydrophobicContact CG1-CE1 3.92Å; I350-Y368 HydrophobicContact CG1-CE2 4.03Å; I350-Y368 HydrophobicContact CG1-CG 4.06Å; I350-Y368 HydrophobicContact CG2-CE2 4.12Å; I350-L419 HydrophobicContact CD1-CD1 4.19Å; I350-L419 HydrophobicContact CG1-CD1 4.17Å; I350-A420 PolarHBondContact N-O 3.42Å; I350-T421 VanDerWaalsContact O-CA 3.28Å; I350-T421 WeakPolarHBondContact O-CA 3.37Å; I350-T421 VanDerWaalsContact O-CB 3.28Å; I350-T421 WeakPolarHBondContact O-CB 3.3Å; I350-T421 PolarHBondContact O-OG1 2.92Å; I350-V426 HydrophobicContact CD1-CG1 3.9Å
351R86.6Confident81.8Confident47 Ų4748.2 Ų48.218%0.17726%0.264CS..  trans-97.7119.5176.6-172.265169.285.74.1110.6T353 D354 K355 D422R351-T353 PolarHBondContact NH1-OG1 3.44Å; R351-D354 IonicContact CZ-OD1 2.6Å; R351-D354 VanDerWaalsContact CZ-OD1 3.23Å; R351-D354 IonicContact NH1-OD1 3.67Å; R351-D354 PolarHBondContact NH1-OD1 2.7Å; R351-D354 IonicContact NH2-OD1 3.37Å; R351-D354 PolarHBondContact NH2-OD1 3.14Å; R351-D354 IonicContact NH2-OD2 3.63Å; R351-K355 HydrophobicContact CG-CB 3.65Å; R351-K355 HydrophobicContact CG-CD 3.85Å; R351-K355 HydrophobicContact CG-CG 3.67Å; R351-D422 WeakPolarHBondContact CA-OD1 3.37Å; R351-D422 IonicContact CZ-OD2 2.78Å; R351-D422 IonicContact NE-OD2 3.23Å; R351-D422 IonicContact NH1-OD2 3.83Å; R351-D422 PolarHBondContact NH1-OD2 3.34Å
352R84.7Confident81.9Confident21 Ų2150 Ų508%0.07926%0.264CS..  trans-119.2-124.5178-68.1-173.3173.9176.14110.5I350 D354 K355 I356 F362 D422 D423I350-R352 HydrophobicContact CG2-CG 4.1Å; R352-D354 PolarHBondContact O-N 3.33Å; R352-K355 VanDerWaalsContact O-CB 3.23Å; R352-K355 WeakPolarHBondContact O-CB 3.37Å; R352-K355 PolarHBondContact O-N 3.36Å; R352-K355 VanDerWaalsContact O-N 3.14Å; R352-I356 VanDerWaalsContact CA-CD1 3.4Å; R352-I356 HydrophobicContact CB-CD1 3.56Å; R352-I356 HydrophobicContact CB-CG1 4.45Å; R352-I356 HydrophobicContact CG-CD1 4Å; R352-F362 HydrophobicContact CG-CE2 4.44Å; R352-D422 VanDerWaalsContact C-OD2 3.24Å; R352-D422 PolarHBondContact N-OD1 3.33Å; R352-D422 PolarHBondContact N-OD2 2.88Å; R352-D423 HydrophobicContact CB-CB 4.15Å; R352-D423 WeakPolarHBondContact CD-OD2 3.46Å; R352-D423 HydrophobicContact CG-CB 4.4Å; R352-D423 IonicContact CZ-OD2 3.95Å; R352-D423 IonicContact NE-OD2 3.82Å; R352-D423 IonicContact NH1-OD2 3.75Å; R352-D423 PolarHBondContact NH1-OD2 3.02Å
353T78.9Confident82Confident40 Ų4047.8 Ų47.825%0.24524%0.235CC..Hα-helixtrans36.9-125.1179.469.50000114.7R351 K355 I356 D422R351-T353 PolarHBondContact NH1-OG1 3.44Å; T353-K355 VanDerWaalsContact C-N 3.26Å; T353-K355 PolarHBondContact O-N 3.14Å; T353-I356 PolarHBondContact O-N 3.35Å; T353-D422 WeakPolarHBondContact CB-OD2 3.47Å; T353-D422 HydrophobicContact CG2-CB 4.24Å; T353-D422 WeakPolarHBondContact CG2-O 3.2Å; T353-D422 WeakPolarHBondContact CG2-OD2 3.45Å; T353-D422 PolarHBondContact OG1-OD2 2.99Å
354D73.3Confident82Confident35 Ų3549.4 Ų49.419%0.18724%0.244CC..Hα-helixtrans-64.9-26.4-176.364.6-42.7000113.7R351 R352 I356 I357 L358 V451 R454R351-D354 IonicContact CZ-OD1 2.6Å; R351-D354 VanDerWaalsContact CZ-OD1 3.23Å; R351-D354 IonicContact NH1-OD1 3.67Å; R351-D354 PolarHBondContact NH1-OD1 2.7Å; R351-D354 IonicContact NH2-OD1 3.37Å; R351-D354 PolarHBondContact NH2-OD1 3.14Å; R351-D354 IonicContact NH2-OD2 3.63Å; R352-D354 PolarHBondContact O-N 3.33Å; D354-I356 VanDerWaalsContact C-N 3.27Å; D354-I356 PolarHBondContact O-N 2.91Å; D354-I357 PolarHBondContact O-N 3.18Å; D354-I357 VanDerWaalsContact O-N 3.11Å; D354-L358 PolarHBondContact O-N 3.22Å; D354-V451 HydrophobicContact CB-CG2 3.96Å; D354-R454 VanDerWaalsContact CG-NH1 3.29Å; D354-R454 IonicContact OD1-NH1 3.8Å; D354-R454 IonicContact OD2-CZ 2.7Å; D354-R454 IonicContact OD2-NH1 3.7Å; D354-R454 PolarHBondContact OD2-NH1 2.91Å; D354-R454 IonicContact OD2-NH2 3.7Å
355K66.4Low82.1Confident9 Ų948.5 Ų48.54%0.03924%0.238CC..Hα-helixtrans-61.5-37.8180-162.894.4174.4165.70111.4R351 R352 T353 I357 L358 E359 A360 S481R351-K355 HydrophobicContact CG-CB 3.65Å; R351-K355 HydrophobicContact CG-CD 3.85Å; R351-K355 HydrophobicContact CG-CG 3.67Å; R352-K355 VanDerWaalsContact O-CB 3.23Å; R352-K355 WeakPolarHBondContact O-CB 3.37Å; R352-K355 PolarHBondContact O-N 3.36Å; R352-K355 VanDerWaalsContact O-N 3.14Å; T353-K355 VanDerWaalsContact C-N 3.26Å; T353-K355 PolarHBondContact O-N 3.14Å; K355-I357 PolarHBondContact O-N 3.26Å; K355-L358 PolarHBondContact O-N 3.17Å; K355-E359 HydrophobicContact CD-CB 4.12Å; K355-E359 WeakPolarHBondContact CD-OE2 3.21Å; K355-E359 WeakPolarHBondContact CE-OE2 3.46Å; K355-E359 HydrophobicContact CG-CB 4.25Å; K355-E359 IonicContact NZ-OE2 2.73Å; K355-E359 PolarHBondContact NZ-OE2 2.75Å; K355-E359 PolarHBondContact O-N 2.65Å; K355-A360 HydrophobicContact CG-CB 3.67Å; K355-A360 PolarHBondContact O-N 3.19Å; K355-S481 WeakPolarHBondContact CE-O 3.27Å; K355-S481 PolarHBondContact NZ-O 3.14Å
356I67.1Low82Confident60 Ų6051.9 Ų51.931%0.30826%0.262SS..Hα-helixtrans-64.4-29.6179.6-60.9158.2000111.3R352 T353 D354 A360 F362R352-I356 VanDerWaalsContact CA-CD1 3.4Å; R352-I356 HydrophobicContact CB-CD1 3.56Å; R352-I356 HydrophobicContact CB-CG1 4.45Å; R352-I356 HydrophobicContact CG-CD1 4Å; T353-I356 PolarHBondContact O-N 3.35Å; D354-I356 VanDerWaalsContact C-N 3.27Å; D354-I356 PolarHBondContact O-N 2.91Å; I356-A360 WeakPolarHBondContact CA-O 3.44Å; I356-F362 HydrophobicContact CD1-CD2 3.69Å; I356-F362 HydrophobicContact CD1-CE2 4.5Å; I356-F362 HydrophobicContact CG1-CB 4.44Å; I356-F362 HydrophobicContact CG1-CD2 4.43Å; I356-F362 HydrophobicContact CG2-CB 4.08Å
357I61.3Low81.8Confident138 Ų13854.5 Ų54.571%0.70827%0.274SS*.Hα-helixtrans-79.1-36.3-175.4-56.7175.8000110.7D354 K355D354-I357 PolarHBondContact O-N 3.18Å; D354-I357 VanDerWaalsContact O-N 3.11Å; K355-I357 PolarHBondContact O-N 3.26Å
358L60.8Low81.7Confident139 Ų13954.6 Ų54.673%0.72827%0.274SS*.Hα-helixtrans-120.1-31.2-165.3-63175.1000115.3D354 K355D354-L358 PolarHBondContact O-N 3.22Å; K355-L358 PolarHBondContact O-N 3.17Å
359E60.5Low81.6Confident128 Ų12854.7 Ų54.760%0.59828%0.275SS*.THydrogen-bonded Turntrans-131.1-25.6-162.2-66.9-179.2-16700115K355K355-E359 HydrophobicContact CD-CB 4.12Å; K355-E359 WeakPolarHBondContact CD-OE2 3.21Å; K355-E359 WeakPolarHBondContact CE-OE2 3.46Å; K355-E359 HydrophobicContact CG-CB 4.25Å; K355-E359 IonicContact NZ-OE2 2.73Å; K355-E359 PolarHBondContact NZ-OE2 2.75Å; K355-E359 PolarHBondContact O-N 2.65Å
360A65.6Low81.5Confident23 Ų2359 Ų5919%0.1930%0.295CS..  trans-143164.7-172.300000112.7K355 I356K355-A360 HydrophobicContact CG-CB 3.67Å; K355-A360 PolarHBondContact O-N 3.19Å; I356-A360 WeakPolarHBondContact CA-O 3.44Å
361K77.7Confident81.5Confident169 Ų16960.5 Ų60.574%0.73530%0.302SS*.  trans-86.6151.1173.6-66.4178.9-178.1175.10110.3H363K361-H363 PolarHBondContact O-CD2 2.71Å; K361-H363 VanDerWaalsContact O-CD2 3.26Å; K361-H363 PolarHBondContact O-N 3.03Å
362F85Confident82Confident97 Ų9758.2 Ų58.243%0.42529%0.293SS..  trans-68.1129.9166.2-178.4-87.3000109.6R352 I356 N364R352-F362 HydrophobicContact CG-CE2 4.44Å; I356-F362 HydrophobicContact CD1-CD2 3.69Å; I356-F362 HydrophobicContact CD1-CE2 4.5Å; I356-F362 HydrophobicContact CG1-CB 4.44Å; I356-F362 HydrophobicContact CG1-CD2 4.43Å; I356-F362 HydrophobicContact CG2-CB 4.08Å; F362-N364 WeakPolarHBondContact CE1-OD1 3.37Å
363H87.3Confident82.5Confident23 Ų2359.6 Ų59.611%0.10630%0.302CS..  trans-118.7132.8173.2-71.3-83.8000109.6K361 E367 Y368K361-H363 PolarHBondContact O-CD2 2.71Å; K361-H363 VanDerWaalsContact O-CD2 3.26Å; K361-H363 PolarHBondContact O-N 3.03Å; H363-E367 IonicContact CE1-OE2 2.86Å; H363-E367 IonicContact CG-OE2 2.95Å; H363-E367 IonicContact ND1-OE2 3.82Å; H363-E367 PolarHBondContact ND1-OE2 2.96Å; H363-Y368 HydrophobicContact CB-CE2 3.59Å
364N90.9Very high83.1Confident76 Ų7662.5 Ų62.541%0.40631%0.311SS..  trans-70148.5178.6-77.2-65.2000111F362 S366 E367 Y368F362-N364 WeakPolarHBondContact CE1-OD1 3.37Å; N364-S366 PolarHBondContact O-N 3.39Å; N364-S366 VanDerWaalsContact O-N 3.11Å; N364-E367 HydrophobicContact CB-CG 4.46Å; N364-E367 PolarHBondContact N-OE1 3.49Å; N364-E367 WeakPolarHBondContact O-CB 3.36Å; N364-E367 PolarHBondContact O-N 3.16Å; N364-Y368 WeakPolarHBondContact O-CD2 3.33Å
365L93.8Very high84Confident1 Ų162 Ų621%0.00531%0.308CS..Hα-helixtrans-52.3-37175.2173.661.4000112I350 E367 Y368 M369 V426 Q429 F430I350-L365 HydrophobicContact CD1-CD1 3.5Å; L365-E367 VanDerWaalsContact C-N 3.26Å; L365-E367 PolarHBondContact O-N 3.02Å; L365-Y368 PolarHBondContact O-N 3.42Å; L365-Y368 VanDerWaalsContact O-N 3.16Å; L365-M369 HydrophobicContact CD1-CG 3.9Å; L365-M369 HydrophobicContact CD1-SD 4.43Å; L365-M369 HydrophobicContact CG-CG 4.06Å; L365-M369 WeakPolarHBondContact O-CG 3.46Å; L365-M369 PolarHBondContact O-N 3.07Å; L365-V426 HydrophobicContact CD1-CG1 4.42Å; L365-Q429 HydrophobicContact CD2-CB 4.47Å; L365-Q429 HydrophobicContact CD2-CG 4.02Å; L365-F430 HydrophobicContact CD1-CD2 4.03Å; L365-F430 HydrophobicContact CD2-CB 3.92Å; L365-F430 HydrophobicContact CD2-CD2 4.16Å; L365-F430 HydrophobicContact CD2-CG 4.42Å
366S94.5Very high85.3Confident73 Ų7361.8 Ų61.851%0.5131%0.307SS..Hα-helixtrans-58.4-33.4177.855.20000113.7N364 M369 E370N364-S366 PolarHBondContact O-N 3.39Å; N364-S366 VanDerWaalsContact O-N 3.11Å; S366-M369 PolarHBondContact O-N 2.84Å; S366-E370 PolarHBondContact O-N 3.39Å
367E94Very high86.4Confident55 Ų5562.8 Ų62.826%0.25731%0.313SS..Hα-helixtrans-66.8-39.1178.4-65.6170.2-122.500111.1H363 N364 L365 I509H363-E367 IonicContact CE1-OE2 2.86Å; H363-E367 IonicContact CG-OE2 2.95Å; H363-E367 IonicContact ND1-OE2 3.82Å; H363-E367 PolarHBondContact ND1-OE2 2.96Å; N364-E367 HydrophobicContact CB-CG 4.46Å; N364-E367 PolarHBondContact N-OE1 3.49Å; N364-E367 WeakPolarHBondContact O-CB 3.36Å; N364-E367 PolarHBondContact O-N 3.16Å; L365-E367 VanDerWaalsContact C-N 3.26Å; L365-E367 PolarHBondContact O-N 3.02Å; E367-I509 HydrophobicContact CB-CD1 4.24Å; E367-I509 HydrophobicContact CB-CG2 4.19Å
368Y97Very high87.6Confident3 Ų360.1 Ų60.11%0.01229%0.294CS..Hα-helixtrans-67.2-46.7173.7-60.8-100.6000110.4V348 H349 I350 H363 N364 L365 E370 Q371 V372 V477 T479 I509V348-Y368 HydrophobicContact CG1-CD1 4.01Å; V348-Y368 HydrophobicContact CG1-CG 4.2Å; H349-Y368 WeakPolarHBondContact O-CE1 3.29Å; I350-Y368 HydrophobicContact CD1-CD1 4.41Å; I350-Y368 HydrophobicContact CD1-CD2 3.8Å; I350-Y368 HydrophobicContact CD1-CE2 4.09Å; I350-Y368 HydrophobicContact CD1-CG 4Å; I350-Y368 HydrophobicContact CG1-CD1 3.96Å; I350-Y368 HydrophobicContact CG1-CD2 4.07Å; I350-Y368 HydrophobicContact CG1-CE1 3.92Å; I350-Y368 HydrophobicContact CG1-CE2 4.03Å; I350-Y368 HydrophobicContact CG1-CG 4.06Å; I350-Y368 HydrophobicContact CG2-CE2 4.12Å; H363-Y368 HydrophobicContact CB-CE2 3.59Å; N364-Y368 WeakPolarHBondContact O-CD2 3.33Å; L365-Y368 PolarHBondContact O-N 3.42Å; L365-Y368 VanDerWaalsContact O-N 3.16Å; Y368-E370 VanDerWaalsContact C-N 3.31Å; Y368-E370 PolarHBondContact O-N 2.56Å; Y368-Q371 PolarHBondContact O-N 3.49Å; Y368-Q371 VanDerWaalsContact O-N 3.08Å; Y368-V372 WeakPolarHBondContact O-CG2 3.16Å; Y368-V372 PolarHBondContact O-N 3.24Å; Y368-V372 VanDerWaalsContact O-N 3.15Å; Y368-V477 HydrophobicContact CD1-CG1 4.09Å; Y368-T479 WeakPolarHBondContact OH-CG2 3.47Å; Y368-I509 HydrophobicContact CD1-CD1 3.28Å; Y368-I509 HydrophobicContact CD1-CG1 4.47Å; Y368-I509 HydrophobicContact CD2-CD1 3.66Å; Y368-I509 HydrophobicContact CE1-CD1 3.55Å; Y368-I509 HydrophobicContact CE2-CD1 3.92Å; Y368-I509 HydrophobicContact CG-CD1 3.32Å
369M97.1Very high88.8Confident1 Ų156.1 Ų56.11%0.00527%0.271CS..Hα-helixtrans-67.1-29.5-176-66.6-53.3-6100113.5L365 S366 Q371 V372 D373 V417 F430 H434 Y437L365-M369 HydrophobicContact CD1-CG 3.9Å; L365-M369 HydrophobicContact CD1-SD 4.43Å; L365-M369 HydrophobicContact CG-CG 4.06Å; L365-M369 WeakPolarHBondContact O-CG 3.46Å; L365-M369 PolarHBondContact O-N 3.07Å; S366-M369 PolarHBondContact O-N 2.84Å; M369-Q371 PolarHBondContact O-N 3.04Å; M369-V372 HydrophobicContact CE-CB 4.07Å; M369-V372 HydrophobicContact CE-CG1 3.97Å; M369-V372 HydrophobicContact CE-CG2 4.35Å; M369-V372 WeakPolarHBondContact O-CB 3.43Å; M369-V372 PolarHBondContact O-N 3.32Å; M369-V372 VanDerWaalsContact O-N 3.17Å; M369-V372 HydrophobicContact SD-CB 4.24Å; M369-V372 HydrophobicContact SD-CG2 3.91Å; M369-D373 PolarHBondContact O-N 3.08Å; M369-V417 HydrophobicContact CE-CG2 4.26Å; M369-F430 HydrophobicContact CE-CE2 3.83Å; M369-F430 HydrophobicContact CE-CZ 3.91Å; M369-F430 HydrophobicContact CG-CE2 4.5Å; M369-F430 HydrophobicContact SD-CD2 4.22Å; M369-F430 HydrophobicContact SD-CE2 3.43Å; M369-F430 WeakPolarHBondContact SD-CE2 3.38Å; M369-F430 HydrophobicContact SD-CZ 4.14Å; M369-H434 VanDerWaalsContact CB-NE2 3.32Å; M369-H434 WeakPolarHBondContact CB-NE2 3.43Å; M369-H434 HydrophobicContact CE-CB 4.48Å; M369-H434 WeakPolarHBondContact CG-NE2 3.49Å; M369-Y437 HydrophobicContact CE-CD1 4.09Å; M369-Y437 HydrophobicContact CE-CD2 4.13Å; M369-Y437 HydrophobicContact CE-CE1 3.82Å; M369-Y437 HydrophobicContact CE-CE2 3.87Å; M369-Y437 HydrophobicContact CE-CG 4.23Å
370E94.6Very high90Very high101 Ų10151.9 Ų51.947%0.47225%0.253SS..Hα-helixtrans-56.8-40.3171.2-170.2-168.4144.300111.7S366 Y368 K374S366-E370 PolarHBondContact O-N 3.39Å; Y368-E370 VanDerWaalsContact C-N 3.31Å; Y368-E370 PolarHBondContact O-N 2.56Å; E370-K374 WeakPolarHBondContact O-CB 2.96Å; E370-K374 VanDerWaalsContact O-CG 3.29Å; E370-K374 WeakPolarHBondContact O-CG 3.13Å; E370-K374 PolarHBondContact O-N 3.42Å; E370-K374 WeakPolarHBondContact OE1-CE 3.42Å; E370-K374 IonicContact OE1-NZ 3.08Å; E370-K374 PolarHBondContact OE1-NZ 3.13Å
371Q95Very high91Very high31 Ų3151.6 Ų51.615%0.14525%0.251CS..Hα-helixtrans-75.9-33.3179-50.9-57.6-29.900111.9Y368 M369 K374 F375 V477 H507Y368-Q371 PolarHBondContact O-N 3.49Å; Y368-Q371 VanDerWaalsContact O-N 3.08Å; M369-Q371 PolarHBondContact O-N 3.04Å; Q371-K374 PolarHBondContact O-N 3.18Å; Q371-F375 PolarHBondContact O-N 2.92Å; Q371-V477 HydrophobicContact CB-CG1 3.9Å; Q371-V477 HydrophobicContact CB-CG2 4.04Å; Q371-V477 HydrophobicContact CG-CG1 4.35Å; Q371-H507 VanDerWaalsContact CG-CD2 3.5Å; Q371-H507 WeakPolarHBondContact CG-CD2 3.35Å
372V96.9Very high91.3Very high0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-62.5-46.9171.9178.80000110.3V346 V348 Y368 M369 F375 F376 V417 Y437 V477V346-V372 HydrophobicContact CB-CG1 4.14Å; V346-V372 HydrophobicContact CB-CG2 4.46Å; V346-V372 HydrophobicContact CG1-CG1 4.35Å; V346-V372 HydrophobicContact CG1-CG2 3.86Å; V346-V372 HydrophobicContact CG2-CG1 4.14Å; V348-V372 HydrophobicContact CG2-CG2 3.6Å; Y368-V372 WeakPolarHBondContact O-CG2 3.16Å; Y368-V372 PolarHBondContact O-N 3.24Å; Y368-V372 VanDerWaalsContact O-N 3.15Å; M369-V372 HydrophobicContact CE-CB 4.07Å; M369-V372 HydrophobicContact CE-CG1 3.97Å; M369-V372 HydrophobicContact CE-CG2 4.35Å; M369-V372 WeakPolarHBondContact O-CB 3.43Å; M369-V372 PolarHBondContact O-N 3.32Å; M369-V372 VanDerWaalsContact O-N 3.17Å; M369-V372 HydrophobicContact SD-CB 4.24Å; M369-V372 HydrophobicContact SD-CG2 3.91Å; V372-F375 WeakPolarHBondContact O-CB 3.49Å; V372-F375 PolarHBondContact O-N 3.26Å; V372-F376 HydrophobicContact CG1-CD2 3.89Å; V372-F376 HydrophobicContact CG1-CE2 3.69Å; V372-F376 VanDerWaalsContact O-CD2 3.29Å; V372-F376 WeakPolarHBondContact O-CD2 3.25Å; V372-F376 PolarHBondContact O-N 3.09Å; V372-F376 VanDerWaalsContact O-N 3.14Å; V372-V417 HydrophobicContact CG1-CG2 3.77Å; V372-Y437 HydrophobicContact CG1-CE1 3.58Å; V372-V477 HydrophobicContact CG2-CG2 4.15Å
373D94.6Very high91.1Very high49 Ų4948.1 Ų48.126%0.26224%0.24SC..Hα-helixtrans-60.1-47.9176.4-79.3-38.7000110.9M369 F375 F376 D377 R415 Y437M369-D373 PolarHBondContact O-N 3.08Å; D373-F375 VanDerWaalsContact C-N 3.27Å; D373-F375 PolarHBondContact O-N 3.11Å; D373-F376 PolarHBondContact O-N 3.48Å; D373-F376 VanDerWaalsContact O-N 3.16Å; D373-D377 WeakPolarHBondContact O-CB 3.42Å; D373-D377 VanDerWaalsContact O-CG 3.25Å; D373-D377 PolarHBondContact O-N 2.81Å; D373-R415 IonicContact OD1-NH1 2.66Å; D373-R415 PolarHBondContact OD1-NH1 3.02Å; D373-Y437 PolarHBondContact OD1-OH 2.99Å
374K91Very high90.7Very high101 Ų10152.2 Ų52.244%0.43926%0.262SS..Hα-helixtrans-54.5-40.9175-79.2167.8171.5167.70112.6E370 Q371 R378E370-K374 WeakPolarHBondContact O-CB 2.96Å; E370-K374 VanDerWaalsContact O-CG 3.29Å; E370-K374 WeakPolarHBondContact O-CG 3.13Å; E370-K374 PolarHBondContact O-N 3.42Å; E370-K374 WeakPolarHBondContact OE1-CE 3.42Å; E370-K374 IonicContact OE1-NZ 3.08Å; E370-K374 PolarHBondContact OE1-NZ 3.13Å; Q371-K374 PolarHBondContact O-N 3.18Å; K374-R378 VanDerWaalsContact O-CB 3.22Å; K374-R378 WeakPolarHBondContact O-CB 3.48Å; K374-R378 PolarHBondContact O-N 3.41Å
375F93.1Very high90.1Very high25 Ų2549.3 Ų49.311%0.1125%0.247CC..Hα-helixtrans-62.4-51.5176.2168-98.6000111.9P344 V346 Q371 V372 D373 D377 R378 Q379 D474 F475P344-F375 HydrophobicContact CB-CE1 4.36Å; P344-F375 HydrophobicContact CB-CZ 4.48Å; V346-F375 HydrophobicContact CG2-CD1 3.22Å; V346-F375 HydrophobicContact CG2-CE1 3.47Å; V346-F375 VanDerWaalsContact CG2-CE1 3.47Å; V346-F375 HydrophobicContact CG2-CG 4.03Å; V346-F375 HydrophobicContact CG2-CZ 4.46Å; Q371-F375 PolarHBondContact O-N 2.92Å; V372-F375 WeakPolarHBondContact O-CB 3.49Å; V372-F375 PolarHBondContact O-N 3.26Å; D373-F375 VanDerWaalsContact C-N 3.27Å; D373-F375 PolarHBondContact O-N 3.11Å; F375-D377 VanDerWaalsContact C-N 3.35Å; F375-D377 PolarHBondContact O-N 2.8Å; F375-R378 PolarHBondContact O-N 2.97Å; F375-Q379 HydrophobicContact CE1-CG 4.4Å; F375-Q379 HydrophobicContact CE2-CG 4.23Å; F375-Q379 HydrophobicContact CZ-CG 4.13Å; F375-Q379 PolarHBondContact O-N 3.15Å; F375-D474 HydrophobicContact CZ-CB 4.32Å; F375-F475 HydrophobicContact CB-CD1 4.01Å; F375-F475 HydrophobicContact CB-CE1 4.31Å; F375-F475 HydrophobicContact CB-CG 4.45Å; F375-F475 HydrophobicContact CD1-CB 4.4Å; F375-F475 HydrophobicContact CD2-CB 3.62Å; F375-F475 AromaticContact CD2-CD1 3.98Å; F375-F475 HydrophobicContact CD2-CD1 3.98Å; F375-F475 AromaticContact CD2-CD2 3.83Å; F375-F475 HydrophobicContact CD2-CD2 3.83Å; F375-F475 AromaticContact CD2-CG 3.54Å; F375-F475 HydrophobicContact CD2-CG 3.54Å; F375-F475 HydrophobicContact CE1-CB 4.28Å; F375-F475 HydrophobicContact CE2-CB 3.52Å; F375-F475 HydrophobicContact CE2-CD2 4.13Å; F375-F475 AromaticContact CE2-CG 3.92Å; F375-F475 HydrophobicContact CE2-CG 3.92Å; F375-F475 HydrophobicContact CG-CB 4.06Å; F375-F475 HydrophobicContact CG-CD1 4.06Å; F375-F475 HydrophobicContact CG-CG 4.04Å; F375-F475 HydrophobicContact CZ-CB 3.85Å
376F93.2Very high89.2Confident4 Ų451.9 Ų51.92%0.01826%0.26CS..Hα-helixtrans-65.6-37.7179.6-75.8-68.1000112.4P344 V346 V372 D373 Q379 N380 R415 S416 Y437P344-F376 HydrophobicContact CB-CE1 4.5Å; P344-F376 HydrophobicContact CG-CE1 4.15Å; V346-F376 HydrophobicContact CG2-CD2 4.39Å; V346-F376 HydrophobicContact CG2-CE2 3.61Å; V346-F376 HydrophobicContact CG2-CZ 3.81Å; V372-F376 HydrophobicContact CG1-CD2 3.89Å; V372-F376 HydrophobicContact CG1-CE2 3.69Å; V372-F376 VanDerWaalsContact O-CD2 3.29Å; V372-F376 WeakPolarHBondContact O-CD2 3.25Å; V372-F376 PolarHBondContact O-N 3.09Å; V372-F376 VanDerWaalsContact O-N 3.14Å; D373-F376 PolarHBondContact O-N 3.48Å; D373-F376 VanDerWaalsContact O-N 3.16Å; F376-Q379 PolarHBondContact O-N 3.06Å; F376-N380 VanDerWaalsContact O-CG 3.31Å; F376-N380 PolarHBondContact O-N 2.87Å; F376-N380 PolarHBondContact O-ND2 2.92Å; F376-R415 HydrophobicContact CB-CG 4.17Å; F376-R415 HydrophobicContact CD1-CB 4.42Å; F376-R415 HydrophobicContact CD1-CG 3.99Å; F376-R415 HydrophobicContact CD2-CB 4.02Å; F376-R415 HydrophobicContact CD2-CG 3.93Å; F376-R415 HydrophobicContact CE1-CB 4.36Å; F376-R415 HydrophobicContact CE1-CG 4.39Å; F376-R415 HydrophobicContact CE2-CB 3.96Å; F376-R415 HydrophobicContact CE2-CG 4.35Å; F376-R415 HydrophobicContact CG-CB 4.28Å; F376-R415 HydrophobicContact CG-CG 3.76Å; F376-R415 HydrophobicContact CZ-CB 4.15Å; F376-S416 VanDerWaalsContact CZ-N 3.34Å; F376-Y437 HydrophobicContact CD2-CE1 4.04Å; F376-Y437 AromaticContact CE2-CE1 3.83Å; F376-Y437 HydrophobicContact CE2-CE1 3.83Å
377D89.8Confident88Confident81 Ų8151.7 Ų51.743%0.43326%0.259SS..Hα-helixtrans-64.3-42.1175.4-70.5-18.1000111.5D373 F375 N380 A381 R415D373-D377 WeakPolarHBondContact O-CB 3.42Å; D373-D377 VanDerWaalsContact O-CG 3.25Å; D373-D377 PolarHBondContact O-N 2.81Å; F375-D377 VanDerWaalsContact C-N 3.35Å; F375-D377 PolarHBondContact O-N 2.8Å; D377-N380 PolarHBondContact O-N 3.06Å; D377-A381 WeakPolarHBondContact O-CB 3.42Å; D377-A381 PolarHBondContact O-N 3.47Å; D377-R415 IonicContact OD1-CZ 3.4Å; D377-R415 IonicContact OD1-NH1 2.82Å; D377-R415 IonicContact OD1-NH2 3.61Å; D377-R415 PolarHBondContact OD1-NH2 2.95Å
378R86.8Confident86.3Confident83 Ų8356 Ų5631%0.31328%0.277SS..Hα-helixtrans-63.9-39.6174.5-176.1175.6-173.1-176.76.4112.4L156 E159 N163 K374 F375 A381 N382L156-R378 HydrophobicContact CD1-CB 4.21Å; L156-R378 HydrophobicContact CD1-CG 3.86Å; E159-R378 IonicContact OE2-CZ 2.77Å; E159-R378 IonicContact OE2-NE 2.76Å; E159-R378 IonicContact OE2-NH1 2.83Å; E159-R378 IonicContact OE2-NH2 2.67Å; E159-R378 PolarHBondContact OE2-NH2 2.96Å; N163-R378 PolarHBondContact ND2-NH2 3.43Å; K374-R378 VanDerWaalsContact O-CB 3.22Å; K374-R378 WeakPolarHBondContact O-CB 3.48Å; K374-R378 PolarHBondContact O-N 3.41Å; F375-R378 PolarHBondContact O-N 2.97Å; R378-A381 PolarHBondContact O-N 3.2Å; R378-N382 WeakPolarHBondContact O-CB 3.49Å; R378-N382 PolarHBondContact O-N 2.81Å
379Q86.8Confident84.1Confident54 Ų5460.3 Ų60.325%0.25229%0.293SS..Hα-helixtrans-61.7-46.9173.9-74.7-156.286.400111.5F375 F376 A381 N382 H383F375-Q379 HydrophobicContact CE1-CG 4.4Å; F375-Q379 HydrophobicContact CE2-CG 4.23Å; F375-Q379 HydrophobicContact CZ-CG 4.13Å; F375-Q379 PolarHBondContact O-N 3.15Å; F376-Q379 PolarHBondContact O-N 3.06Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; Q379-A381 PolarHBondContact O-N 3.37Å; Q379-N382 WeakPolarHBondContact O-CB 3.48Å; Q379-N382 PolarHBondContact O-N 3.22Å; Q379-H383 PolarHBondContact O-CD2 2.92Å; Q379-H383 PolarHBondContact O-N 2.88Å
380N85.9Confident81.3Confident39 Ų3968.4 Ų68.421%0.20933%0.33CS..Hα-helixtrans-59.3-45.3175.9-70.6-40000111.6F376 D377 H383 L384F376-N380 VanDerWaalsContact O-CG 3.31Å; F376-N380 PolarHBondContact O-N 2.87Å; F376-N380 PolarHBondContact O-ND2 2.92Å; D377-N380 PolarHBondContact O-N 3.06Å; N380-H383 PolarHBondContact O-N 3.44Å; N380-L384 WeakPolarHBondContact O-CG 3.42Å; N380-L384 PolarHBondContact O-N 2.82Å; N380-L384 VanDerWaalsContact O-N 3.13Å
381A85.3Confident78.6Confident18 Ų1870 Ų7015%0.14934%0.342CS..Hα-helixtrans-61.8-43.1176.400000111.9L156 I160 D377 R378 Q379 H383 L384 V385L156-A381 HydrophobicContact CD1-CB 4.43Å; L156-A381 HydrophobicContact CD2-CB 3.78Å; L156-A381 HydrophobicContact CG-CB 4.27Å; I160-A381 HydrophobicContact CD1-CB 3.89Å; D377-A381 WeakPolarHBondContact O-CB 3.42Å; D377-A381 PolarHBondContact O-N 3.47Å; R378-A381 PolarHBondContact O-N 3.2Å; Q379-A381 VanDerWaalsContact C-N 3.35Å; Q379-A381 PolarHBondContact O-N 3.37Å; A381-H383 PolarHBondContact O-N 3.4Å; A381-L384 PolarHBondContact O-N 3.32Å; A381-L384 VanDerWaalsContact O-N 3.17Å; A381-V385 WeakPolarHBondContact O-CB 3.39Å; A381-V385 VanDerWaalsContact O-CG2 3.24Å; A381-V385 WeakPolarHBondContact O-CG2 3.44Å; A381-V385 PolarHBondContact O-N 3.12Å
382N84.6Confident76Confident62 Ų6275.4 Ų75.433%0.33237%0.371SS..Hα-helixtrans-57-47.9176.6-1759.4000111.5I160 R378 Q379 L384 V385 M386I160-N382 HydrophobicContact CD1-CB 4.27Å; I160-N382 HydrophobicContact CG1-CB 4.21Å; I160-N382 HydrophobicContact CG2-CB 4.36Å; R378-N382 WeakPolarHBondContact O-CB 3.49Å; R378-N382 PolarHBondContact O-N 2.81Å; Q379-N382 WeakPolarHBondContact O-CB 3.48Å; Q379-N382 PolarHBondContact O-N 3.22Å; N382-L384 VanDerWaalsContact C-N 3.34Å; N382-L384 PolarHBondContact O-N 3.48Å; N382-V385 PolarHBondContact O-N 3.33Å; N382-M386 WeakPolarHBondContact O-CB 3.48Å; N382-M386 VanDerWaalsContact O-CG 3.28Å; N382-M386 WeakPolarHBondContact O-CG 3.47Å; N382-M386 PolarHBondContact O-N 3.06Å; N382-M386 WeakPolarHBondContact OD1-CG 3.42Å
383H80.1Confident73.1Confident130 Ų13083 Ų8360%0.60241%0.411SS*.Hα-helixtrans-57-46.1175.5-76-66.4000112.1Q379 N380 A381 S387Q379-H383 PolarHBondContact O-CD2 2.92Å; Q379-H383 PolarHBondContact O-N 2.88Å; N380-H383 PolarHBondContact O-N 3.44Å; A381-H383 PolarHBondContact O-N 3.4Å; H383-S387 VanDerWaalsContact O-CB 3.23Å; H383-S387 WeakPolarHBondContact O-CB 3.46Å; H383-S387 PolarHBondContact O-N 3.46Å; H383-S387 PolarHBondContact O-OG 3.25Å
384L80.4Confident70.1Confident109 Ų10984.2 Ų84.257%0.57144%0.436SS*.Hα-helixtrans-67.1-42.6-179.9-68.4171.3000113.3N380 A381 N382 M386 S387 K388N380-L384 WeakPolarHBondContact O-CG 3.42Å; N380-L384 PolarHBondContact O-N 2.82Å; N380-L384 VanDerWaalsContact O-N 3.13Å; A381-L384 PolarHBondContact O-N 3.32Å; A381-L384 VanDerWaalsContact O-N 3.17Å; N382-L384 VanDerWaalsContact C-N 3.34Å; N382-L384 PolarHBondContact O-N 3.48Å; L384-M386 VanDerWaalsContact C-N 3.3Å; L384-M386 PolarHBondContact O-N 2.93Å; L384-S387 PolarHBondContact O-OG 2.89Å; L384-K388 WeakPolarHBondContact O-CG 3.23Å
385V78.2Confident67.3Low15 Ų1588 Ų889%0.09146%0.456CS..Hα-helixtrans-66.6-36.6179.9174.30000110.6H157 I160 A381 N382H157-V385 WeakPolarHBondContact CD2-CG2 3.23Å; I160-V385 HydrophobicContact CD1-CG2 4.28Å; I160-V385 HydrophobicContact CG2-CB 4.18Å; I160-V385 HydrophobicContact CG2-CG1 4.05Å; A381-V385 WeakPolarHBondContact O-CB 3.39Å; A381-V385 VanDerWaalsContact O-CG2 3.24Å; A381-V385 WeakPolarHBondContact O-CG2 3.44Å; A381-V385 PolarHBondContact O-N 3.12Å; N382-V385 PolarHBondContact O-N 3.33Å
386M75.4Confident64.3Low55 Ų5596.9 Ų96.927%0.27149%0.494SS..Hα-helixtrans-84.7-28.4-178-64.8-61.7148.600113.6I160 I161 K164 N382 L384I160-M386 HydrophobicContact CG2-CE 3.36Å; I161-M386 HydrophobicContact CG1-CE 4.5Å; K164-M386 HydrophobicContact CB-CE 3.85Å; K164-M386 HydrophobicContact CB-SD 4.28Å; K164-M386 HydrophobicContact CD-SD 4.42Å; K164-M386 HydrophobicContact CG-CE 4.13Å; K164-M386 HydrophobicContact CG-SD 3.88Å; N382-M386 WeakPolarHBondContact O-CB 3.48Å; N382-M386 VanDerWaalsContact O-CG 3.28Å; N382-M386 WeakPolarHBondContact O-CG 3.47Å; N382-M386 PolarHBondContact O-N 3.06Å; N382-M386 WeakPolarHBondContact OD1-CG 3.42Å; L384-M386 VanDerWaalsContact C-N 3.3Å; L384-M386 PolarHBondContact O-N 2.93Å
387S69.2Low61.3Low70 Ų70104.6 Ų104.649%0.4953%0.534SS..Hα-helixtrans-74.8-21.1179.669.70000114.2H383 L384 R389H383-S387 VanDerWaalsContact O-CB 3.23Å; H383-S387 WeakPolarHBondContact O-CB 3.46Å; H383-S387 PolarHBondContact O-N 3.46Å; H383-S387 PolarHBondContact O-OG 3.25Å; L384-S387 PolarHBondContact O-OG 2.89Å; S387-R389 PolarHBondContact O-N 3.37Å
388K57.8Low58.5Low146 Ų146103.6 Ų103.664%0.63554%0.544SS*.THydrogen-bonded Turntrans-64.418.4-175.5-83.6178.8179.3-179.70116L384L384-K388 WeakPolarHBondContact O-CG 3.23Å
389R49.3Very low55.9Low92 Ų92105.3 Ų105.335%0.34757%0.568SS.*THydrogen-bonded Turntrans-110.4-3177.9-99.3-163.3-154.6168.824.3116.7T98 S387T98-R389 VanDerWaalsContact CG2-CZ 3.48Å; S387-R389 PolarHBondContact O-N 3.37Å
390H39.5Very low53.4Low172 Ų172108.8 Ų108.880%0.79659%0.587SS**SBendtrans-92.5-11.1175.9-86.3-74.6000115.1
391D38.2Very low51Low133 Ų133109.7 Ų109.771%0.71160%0.597SS**THydrogen-bonded Turntrans-97.411.4-173.5-66.1-21.8000114.7
392L40.6Very low48.9Very low146 Ų146117 Ų11776%0.76463%0.628SS**THydrogen-bonded Turntrans-104.92.9-179.1-76.1164.9000114.9G394L392-G394 PolarHBondContact O-N 2.86Å
393N35.7Very low46.7Very low158 Ų158121.7 Ų121.785%0.84565%0.648SS**SBendtrans-9288.2164.1-75.7-5.8000108.6E395N393-E395 VanDerWaalsContact C-N 3.35Å; N393-E395 PolarHBondContact O-N 3.28Å
394G30.6Very low44.7Very low76 Ų76118 Ų11878%0.78464%0.636SS**  trans-69.783176.600000113L392L392-G394 PolarHBondContact O-N 2.86Å
395E33Very low42.6Very low181 Ų181117.6 Ų117.685%0.84663%0.634SS**SBendtrans-136.5104.8156.6-74.4-166.7151.600110.3N393N393-E395 VanDerWaalsContact C-N 3.35Å; N393-E395 PolarHBondContact O-N 3.28Å
396K30.4Very low40.6Very low211 Ų211118.9 Ų118.992%0.91765%0.65SS**  trans35.190.9157.3-69.5177.5176.5175.50116.4
397L30.5Very low38.8Very low165 Ų165125.9 Ų125.986%0.86467%0.673SS**  trans-128.3111.7148.9-154.768.8000109.1
398G30.2Very low37.5Very low61 Ų61129.5 Ų129.563%0.62968%0.68SS**  trans-59.7152.2-179.900000112.4I400G398-I400 PolarHBondContact O-N 2.7Å
399S31.7Very low36.7Very low118 Ų118127 Ų12783%0.82567%0.674SS**  trans33.682.516060.40000115S401S399-S401 VanDerWaalsContact C-N 3.27Å; S399-S401 PolarHBondContact O-N 3.19Å
400I34.7Very low36.4Very low128 Ų128126.7 Ų126.766%0.65669%0.691SS**  trans-67.796.1159.6-61178.7000106G398 S404G398-I400 PolarHBondContact O-N 2.7Å; I400-S404 VanDerWaalsContact CG2-CB 3.44Å
401S36.5Very low37.1Very low58 Ų58125.4 Ų125.441%0.40669%0.689SS.*  trans-60.5151.4172.358.90000110.3S399 E403 S404S399-S401 VanDerWaalsContact C-N 3.27Å; S399-S401 PolarHBondContact O-N 3.19Å; S401-E403 PolarHBondContact O-N 2.82Å; S401-S404 WeakPolarHBondContact O-CB 3.43Å; S401-S404 PolarHBondContact O-N 3.36Å; S401-S404 PolarHBondContact O-OG 3.35Å
402E40.5Very low38.5Very low171 Ų171127 Ų12780%0.79969%0.685SS**Hα-helixtrans-52-23.3177.3-70.2179.3148.600113.5S404 I405 G406E402-S404 PolarHBondContact O-N 2.9Å; E402-I405 WeakPolarHBondContact O-CB 3.17Å; E402-I405 PolarHBondContact O-N 2.94Å; E402-I405 VanDerWaalsContact O-N 3.1Å; E402-G406 PolarHBondContact O-N 2.8Å; E402-G406 VanDerWaalsContact O-N 3.12Å
403E38.9Very low40Very low161 Ų161121.8 Ų121.875%0.75266%0.663SS**Hα-helixtrans-59.2-30.6172-81.7-177.7134.100113.9S401 I405 G406 R407S401-E403 PolarHBondContact O-N 2.82Å; E403-I405 VanDerWaalsContact C-N 3.3Å; E403-I405 PolarHBondContact O-N 3.09Å; E403-G406 PolarHBondContact O-N 3.04Å; E403-R407 PolarHBondContact O-N 3.08Å
404S36.8Very low42.4Very low51 Ų51120.3 Ų120.336%0.35765%0.649SS.*Hα-helixtrans-72.7-27.1177.8-55.10000112.2I400 S401 E402 K408I400-S404 VanDerWaalsContact CG2-CB 3.44Å; S401-S404 WeakPolarHBondContact O-CB 3.43Å; S401-S404 PolarHBondContact O-N 3.36Å; S401-S404 PolarHBondContact O-OG 3.35Å; E402-S404 PolarHBondContact O-N 2.9Å; S404-K408 PolarHBondContact O-N 3.2Å
405I37.9Very low45.5Very low102 Ų102119.4 Ų119.452%0.52362%0.622SS.*Hα-helixtrans-75.2-38.5172.2-60.8173.8000109.3E402 E403 R407 K408 N409E402-I405 WeakPolarHBondContact O-CB 3.17Å; E402-I405 PolarHBondContact O-N 2.94Å; E402-I405 VanDerWaalsContact O-N 3.1Å; E403-I405 VanDerWaalsContact C-N 3.3Å; E403-I405 PolarHBondContact O-N 3.09Å; I405-R407 VanDerWaalsContact C-N 3.34Å; I405-R407 PolarHBondContact O-N 3.37Å; I405-K408 PolarHBondContact O-N 3.24Å; I405-N409 PolarHBondContact O-N 3.43Å; I405-N409 VanDerWaalsContact O-N 3.12Å
406G35.1Very low48.4Very low42 Ų42110.8 Ų110.843%0.43358%0.582SS.*Hα-helixtrans-59.2-40.517100000113.3E402 E403 N409 A410E402-G406 PolarHBondContact O-N 2.8Å; E402-G406 VanDerWaalsContact O-N 3.12Å; E403-G406 PolarHBondContact O-N 3.04Å; G406-N409 PolarHBondContact O-N 3.32Å; G406-A410 PolarHBondContact O-N 2.98Å
407R38Very low51.6Low202 Ų202100.7 Ų100.776%0.76254%0.538SS*.Hα-helixtrans-71.7-29.9177.2-140.9174.1-162.5152.73.5113.5E403 I405 N409 A410E403-R407 PolarHBondContact O-N 3.08Å; I405-R407 VanDerWaalsContact C-N 3.34Å; I405-R407 PolarHBondContact O-N 3.37Å; R407-N409 VanDerWaalsContact C-N 3.33Å; R407-A410 PolarHBondContact O-N 3.42Å
408K41Very low54.8Low145 Ų14592.9 Ų92.963%0.6350%0.497SS*.Hα-helixtrans-69.4-29.2170.2-80.5-179.3176.2177.10112.3S404 I405S404-K408 PolarHBondContact O-N 3.2Å; I405-K408 PolarHBondContact O-N 3.24Å
409N41.5Very low58.1Low95 Ų9590 Ų9051%0.50847%0.467SS..Hα-helixtrans-74.6-27.4172.5-75.4-23.7000113.1I405 G406 R407 L411 R412I405-N409 PolarHBondContact O-N 3.43Å; I405-N409 VanDerWaalsContact O-N 3.12Å; G406-N409 PolarHBondContact O-N 3.32Å; R407-N409 VanDerWaalsContact C-N 3.33Å; N409-L411 PolarHBondContact O-N 3.13Å; N409-R412 PolarHBondContact O-N 3.24Å
410A43.8Very low61.2Low85 Ų8584.5 Ų84.570%0.70243%0.429SS*.THydrogen-bonded Turntrans-70.5-6.9174.100000114.4G406 R407G406-A410 PolarHBondContact O-N 2.98Å; R407-A410 PolarHBondContact O-N 3.42Å
411L54.4Low64Low144 Ų14478.8 Ų78.875%0.75440%0.4SS*.THydrogen-bonded Turntrans-93.62.4176.6-96143.7000113.8N409 A413N409-L411 PolarHBondContact O-N 3.13Å; L411-A413 PolarHBondContact O-N 3.31Å; L411-A413 VanDerWaalsContact O-N 3.16Å
412R66.7Low66.6Low166 Ų16676.4 Ų76.463%0.62638%0.382SS*.SBendtrans-73.3108.7171.8-72.1-173.9-177.9-173.20.5108.8N409 K414N409-R412 PolarHBondContact O-N 3.24Å; R412-K414 PolarHBondContact O-N 3.23Å
413A72.3Confident69Low37 Ų3769.5 Ų69.531%0.30635%0.351SS..  trans-48.7139.4172.800000110.7P344 L411 R415P344-A413 HydrophobicContact CG-CB 3.91Å; L411-A413 PolarHBondContact O-N 3.31Å; L411-A413 VanDerWaalsContact O-N 3.16Å; A413-R415 PolarHBondContact O-N 3.45Å
414K86.7Confident71.4Confident127 Ų12762.9 Ų62.955%0.55232%0.322SS*.  trans-65.6126.4179.1-67.2177.4177.5179.60109.4R412 S416 I438R412-K414 PolarHBondContact O-N 3.23Å; K414-S416 PolarHBondContact O-N 3.46Å; K414-S416 VanDerWaalsContact O-N 3.16Å; K414-S416 PolarHBondContact O-OG 3.2Å; K414-I438 HydrophobicContact CB-CD1 4.02Å; K414-I438 HydrophobicContact CD-CD1 3.75Å; K414-I438 HydrophobicContact CG-CD1 4.41Å
415R93.9Very high74Confident57 Ų5765.5 Ų65.522%0.21533%0.332CS..  trans-71.5111.3177.6-60.2-165.5-179-159.3-6.7109.6D373 F376 D377 A413 Y437 I438D373-R415 IonicContact OD1-NH1 2.66Å; D373-R415 PolarHBondContact OD1-NH1 3.02Å; F376-R415 HydrophobicContact CB-CG 4.17Å; F376-R415 HydrophobicContact CD1-CB 4.42Å; F376-R415 HydrophobicContact CD1-CG 3.99Å; F376-R415 HydrophobicContact CD2-CB 4.02Å; F376-R415 HydrophobicContact CD2-CG 3.93Å; F376-R415 HydrophobicContact CE1-CB 4.36Å; F376-R415 HydrophobicContact CE1-CG 4.39Å; F376-R415 HydrophobicContact CE2-CB 3.96Å; F376-R415 HydrophobicContact CE2-CG 4.35Å; F376-R415 HydrophobicContact CG-CB 4.28Å; F376-R415 HydrophobicContact CG-CG 3.76Å; F376-R415 HydrophobicContact CZ-CB 4.15Å; D377-R415 IonicContact OD1-CZ 3.4Å; D377-R415 IonicContact OD1-NH1 2.82Å; D377-R415 IonicContact OD1-NH2 3.61Å; D377-R415 PolarHBondContact OD1-NH2 2.95Å; A413-R415 PolarHBondContact O-N 3.45Å; R415-Y437 HydrophobicContact CB-CD1 3.66Å; R415-Y437 HydrophobicContact CB-CE1 3.48Å; R415-Y437 VanDerWaalsContact CB-CE1 3.48Å; R415-Y437 HydrophobicContact CB-CG 4.27Å; R415-Y437 WeakPolarHBondContact CD-OH 3.29Å; R415-Y437 HydrophobicContact CG-CE1 4.38Å; R415-Y437 WeakPolarHBondContact O-CA 3.03Å; R415-I438 PolarHBondContact O-N 3.15Å
416S95.8Very high76.6Confident0 Ų060.7 Ų60.70%031%0.307CS..EExtended strand (participates in β ladder)trans-125.8138.3-171.7-57.80000111V346 F376 K414 I438V346-S416 PolarHBondContact N-O 2.83Å; F376-S416 VanDerWaalsContact CZ-N 3.34Å; K414-S416 PolarHBondContact O-N 3.46Å; K414-S416 VanDerWaalsContact O-N 3.16Å; K414-S416 PolarHBondContact O-OG 3.2Å; S416-I438 CarbonylContact C-O 3.59Å; S416-I438 WeakPolarHBondContact CA-O 3.45Å
417V97.6Very high79.5Confident0 Ų059.4 Ų59.40%029%0.29CS..EExtended strand (participates in β ladder)trans-126134.5178.6168.40000109.8V346 V348 M369 V372 L419 F430 Y437 I438 L439 Y440V346-V417 CarbonylContact O-C 3.59Å; V346-V417 VanDerWaalsContact O-CA 3.25Å; V346-V417 WeakPolarHBondContact O-CA 3.46Å; V348-V417 HydrophobicContact CB-CG1 3.93Å; V348-V417 HydrophobicContact CG2-CG1 3.6Å; V348-V417 HydrophobicContact CG2-CG2 4.39Å; M369-V417 HydrophobicContact CE-CG2 4.26Å; V372-V417 HydrophobicContact CG1-CG2 3.77Å; V417-L419 HydrophobicContact CG1-CB 4.45Å; V417-F430 HydrophobicContact CB-CE2 4.16Å; V417-F430 HydrophobicContact CB-CZ 3.88Å; V417-F430 HydrophobicContact CG1-CE2 3.94Å; V417-F430 HydrophobicContact CG1-CZ 4.17Å; V417-F430 HydrophobicContact CG2-CE2 4.26Å; V417-F430 HydrophobicContact CG2-CZ 3.99Å; V417-Y437 HydrophobicContact CG2-CD1 3.79Å; V417-Y437 HydrophobicContact CG2-CE1 4.05Å; V417-I438 PolarHBondContact N-O 2.72Å; V417-L439 HydrophobicContact CB-CD1 4.5Å; V417-L439 HydrophobicContact CG1-CD1 4.24Å; V417-Y440 PolarHBondContact O-N 2.78Å
418Y97.7Very high82.2Confident1 Ų154.3 Ų54.30%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-98.9114.4162.1-179.6-85.3000108.9T334 F338 V346 G347 V348 A420 R445 D466 A469 L470T334-Y418 HydrophobicContact CG2-CE2 4.02Å; F338-Y418 AromaticContact CD1-CD2 3.65Å; F338-Y418 HydrophobicContact CD1-CD2 3.65Å; F338-Y418 HydrophobicContact CD1-CE2 4.06Å; F338-Y418 AromaticContact CE1-CD2 3.81Å; F338-Y418 HydrophobicContact CE1-CD2 3.81Å; F338-Y418 AromaticContact CE1-CE2 3.99Å; F338-Y418 HydrophobicContact CE1-CE2 3.99Å; F338-Y418 HydrophobicContact CG-CD2 4.33Å; V346-Y418 PolarHBondContact O-N 2.91Å; G347-Y418 CarbonylContact C-O 3.6Å; G347-Y418 WeakPolarHBondContact CA-O 2.77Å; V348-Y418 PolarHBondContact N-O 3.36Å; Y418-A420 HydrophobicContact CE1-CB 4.26Å; Y418-R445 PolarHBondContact OH-NH1 3.22Å; Y418-R445 PolarHBondContact OH-NH2 3.27Å; Y418-D466 PolarHBondContact OH-OD1 3.31Å; Y418-A469 HydrophobicContact CD1-CB 4.3Å; Y418-A469 HydrophobicContact CD2-CB 4.4Å; Y418-A469 HydrophobicContact CE1-CB 3.57Å; Y418-A469 HydrophobicContact CE2-CB 3.67Å; Y418-A469 WeakPolarHBondContact OH-CB 3.46Å; Y418-L470 HydrophobicContact CD1-CD2 3.96Å; Y418-L470 HydrophobicContact CD1-CG 4.31Å; Y418-L470 HydrophobicContact CE1-CD2 4.35Å; Y418-L470 HydrophobicContact CE1-CG 4.26Å
419L97.7Very high84.7Confident1 Ų151 Ų511%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-99126.3-178.1179.365.3000111.2V348 I350 V417 T421 V426 F427 L439 Y440V348-L419 HydrophobicContact CB-CD1 4.29Å; V348-L419 HydrophobicContact CG1-CD1 4.09Å; V348-L419 WeakPolarHBondContact O-CA 3.36Å; I350-L419 HydrophobicContact CD1-CD1 4.19Å; I350-L419 HydrophobicContact CG1-CD1 4.17Å; V417-L419 HydrophobicContact CG1-CB 4.45Å; L419-T421 HydrophobicContact CD2-CG2 4.39Å; L419-T421 HydrophobicContact CG-CG2 4.27Å; L419-V426 HydrophobicContact CD1-CG1 4.19Å; L419-V426 HydrophobicContact CD2-CB 4.44Å; L419-V426 HydrophobicContact CD2-CG1 3.79Å; L419-F427 HydrophobicContact CB-CE1 4.19Å; L419-F427 HydrophobicContact CB-CZ 4.06Å; L419-F427 HydrophobicContact CD2-CD1 4.05Å; L419-F427 HydrophobicContact CD2-CD2 3.94Å; L419-F427 HydrophobicContact CD2-CE1 4Å; L419-F427 HydrophobicContact CD2-CE2 3.88Å; L419-F427 HydrophobicContact CD2-CG 4.01Å; L419-F427 HydrophobicContact CD2-CZ 3.91Å; L419-F427 HydrophobicContact CG-CE1 4.4Å; L419-F427 HydrophobicContact CG-CE2 4.17Å; L419-F427 HydrophobicContact CG-CZ 4.01Å; L419-L439 HydrophobicContact CB-CD1 3.65Å; L419-L439 HydrophobicContact CD2-CD1 4.23Å; L419-Y440 PolarHBondContact N-O 3.37Å
420A97Very high87.4Confident2 Ų246.6 Ų46.62%0.01724%0.244CC..EExtended strand (participates in β ladder)trans-120.1128166.800000109.5V348 H349 I350 Y418 D466 L470V348-A420 PolarHBondContact O-N 2.85Å; H349-A420 VanDerWaalsContact CA-O 3.3Å; H349-A420 WeakPolarHBondContact CA-O 3.27Å; I350-A420 PolarHBondContact N-O 3.42Å; Y418-A420 HydrophobicContact CE1-CB 4.26Å; A420-D466 HydrophobicContact CB-CB 4.05Å; A420-L470 HydrophobicContact CB-CD1 3.79Å; A420-L470 HydrophobicContact CB-CD2 4.07Å; A420-L470 HydrophobicContact CB-CG 4.03Å
421T94.8Very high89.8Confident7 Ų745.8 Ų45.84%0.04323%0.234CC..EExtended strand (participates in β ladder)trans-159153.4-177.3-175.40000110.2I350 L419 D423 V426 F427 S446I350-T421 VanDerWaalsContact O-CA 3.28Å; I350-T421 WeakPolarHBondContact O-CA 3.37Å; I350-T421 VanDerWaalsContact O-CB 3.28Å; I350-T421 WeakPolarHBondContact O-CB 3.3Å; I350-T421 PolarHBondContact O-OG1 2.92Å; L419-T421 HydrophobicContact CD2-CG2 4.39Å; L419-T421 HydrophobicContact CG-CG2 4.27Å; T421-D423 VanDerWaalsContact CG2-O 3.31Å; T421-D423 WeakPolarHBondContact CG2-O 3.27Å; T421-D423 PolarHBondContact OG1-N 2.94Å; T421-V426 HydrophobicContact CG2-CB 4.05Å; T421-V426 HydrophobicContact CG2-CG2 4.46Å; T421-F427 HydrophobicContact CG2-CD2 4.11Å; T421-F427 HydrophobicContact CG2-CE2 3.77Å; T421-S446 WeakPolarHBondContact CG2-OG 3.31Å; T421-S446 VanDerWaalsContact O-CA 3.24Å; T421-S446 WeakPolarHBondContact O-CA 3.33Å; T421-S446 WeakPolarHBondContact O-CB 3.17Å; T421-S446 PolarHBondContact O-OG 2.92Å
422D90.6Very high91.7Very high8 Ų849 Ų494%0.04324%0.237CC..SBendtrans-91.11.617160.5-29.8000113R351 R352 T353 A449R351-D422 WeakPolarHBondContact CA-OD1 3.37Å; R351-D422 IonicContact CZ-OD2 2.78Å; R351-D422 IonicContact NE-OD2 3.23Å; R351-D422 IonicContact NH1-OD2 3.83Å; R351-D422 PolarHBondContact NH1-OD2 3.34Å; R352-D422 VanDerWaalsContact C-OD2 3.24Å; R352-D422 PolarHBondContact N-OD1 3.33Å; R352-D422 PolarHBondContact N-OD2 2.88Å; T353-D422 WeakPolarHBondContact CB-OD2 3.47Å; T353-D422 HydrophobicContact CG2-CB 4.24Å; T353-D422 WeakPolarHBondContact CG2-O 3.2Å; T353-D422 WeakPolarHBondContact CG2-OD2 3.45Å; T353-D422 PolarHBondContact OG1-OD2 2.99Å; D422-A449 HydrophobicContact CB-CB 4.12Å
423D90.7Very high93.1Very high27 Ų2743.7 Ų43.714%0.14423%0.225CC..  trans-117.2104.4174.9177.91.4000110.3R352 T421 N425 V426R352-D423 HydrophobicContact CB-CB 4.15Å; R352-D423 WeakPolarHBondContact CD-OD2 3.46Å; R352-D423 HydrophobicContact CG-CB 4.4Å; R352-D423 IonicContact CZ-OD2 3.95Å; R352-D423 IonicContact NE-OD2 3.82Å; R352-D423 IonicContact NH1-OD2 3.75Å; R352-D423 PolarHBondContact NH1-OD2 3.02Å; T421-D423 VanDerWaalsContact CG2-O 3.31Å; T421-D423 WeakPolarHBondContact CG2-O 3.27Å; T421-D423 PolarHBondContact OG1-N 2.94Å; D423-N425 PolarHBondContact O-N 3.47Å; D423-N425 VanDerWaalsContact O-N 3.13Å; D423-N425 VanDerWaalsContact OD1-CB 3.27Å; D423-N425 WeakPolarHBondContact OD1-CB 3.46Å; D423-N425 PolarHBondContact OD1-N 2.71Å; D423-N425 PolarHBondContact OD1-ND2 3.15Å; D423-V426 HydrophobicContact CB-CG2 3.88Å; D423-V426 WeakPolarHBondContact O-CB 3.31Å; D423-V426 WeakPolarHBondContact O-CG2 3.26Å; D423-V426 PolarHBondContact O-N 2.87Å; D423-V426 VanDerWaalsContact O-N 3.09Å
424P88.7Confident94.1Very high22 Ų2243.3 Ų43.314%0.14322%0.217CC..THydrogen-bonded Turntrans-62.8-21.1-177.425-33.5000113.7V426 F427 H447P424-V426 PolarHBondContact O-N 3.03Å; P424-F427 PolarHBondContact O-N 3.27Å; P424-H447 WeakPolarHBondContact CB-CE1 3.2Å
425N91.6Very high94.5Very high106 Ų10642.1 Ų42.157%0.56722%0.223SC*.Hα-helixtrans-68.4-17.3177.3-58.1-62000112.7D423 F427 T428 Q429D423-N425 PolarHBondContact O-N 3.47Å; D423-N425 VanDerWaalsContact O-N 3.13Å; D423-N425 VanDerWaalsContact OD1-CB 3.27Å; D423-N425 WeakPolarHBondContact OD1-CB 3.46Å; D423-N425 PolarHBondContact OD1-N 2.71Å; D423-N425 PolarHBondContact OD1-ND2 3.15Å; N425-F427 VanDerWaalsContact C-N 3.25Å; N425-F427 PolarHBondContact O-N 3.45Å; N425-T428 PolarHBondContact O-N 2.96Å; N425-T428 PolarHBondContact O-OG1 2.87Å; N425-Q429 WeakPolarHBondContact O-CB 3.3Å; N425-Q429 PolarHBondContact O-N 3.14Å
426V93.8Very high94.4Very high0 Ų044.8 Ų44.80%024%0.241CC..Hα-helixtrans-65.8-32176.5179.40000110.9I350 L365 L419 T421 D423 P424 Q429 F430I350-V426 HydrophobicContact CD1-CG1 3.9Å; L365-V426 HydrophobicContact CD1-CG1 4.42Å; L419-V426 HydrophobicContact CD1-CG1 4.19Å; L419-V426 HydrophobicContact CD2-CB 4.44Å; L419-V426 HydrophobicContact CD2-CG1 3.79Å; T421-V426 HydrophobicContact CG2-CB 4.05Å; T421-V426 HydrophobicContact CG2-CG2 4.46Å; D423-V426 HydrophobicContact CB-CG2 3.88Å; D423-V426 WeakPolarHBondContact O-CB 3.31Å; D423-V426 WeakPolarHBondContact O-CG2 3.26Å; D423-V426 PolarHBondContact O-N 2.87Å; D423-V426 VanDerWaalsContact O-N 3.09Å; P424-V426 PolarHBondContact O-N 3.03Å; V426-Q429 PolarHBondContact O-N 2.81Å; V426-F430 VanDerWaalsContact O-CB 3.22Å; V426-F430 WeakPolarHBondContact O-CB 3.27Å; V426-F430 PolarHBondContact O-N 3.35Å
427F95.2Very high94.4Very high16 Ų1645.6 Ų45.67%0.0725%0.245CC..Hα-helixtrans-64.5-41.5176.7-81.4-91.9000112.3L419 T421 P424 N425 S431 L439 P443 S446L419-F427 HydrophobicContact CB-CE1 4.19Å; L419-F427 HydrophobicContact CB-CZ 4.06Å; L419-F427 HydrophobicContact CD2-CD1 4.05Å; L419-F427 HydrophobicContact CD2-CD2 3.94Å; L419-F427 HydrophobicContact CD2-CE1 4Å; L419-F427 HydrophobicContact CD2-CE2 3.88Å; L419-F427 HydrophobicContact CD2-CG 4.01Å; L419-F427 HydrophobicContact CD2-CZ 3.91Å; L419-F427 HydrophobicContact CG-CE1 4.4Å; L419-F427 HydrophobicContact CG-CE2 4.17Å; L419-F427 HydrophobicContact CG-CZ 4.01Å; T421-F427 HydrophobicContact CG2-CD2 4.11Å; T421-F427 HydrophobicContact CG2-CE2 3.77Å; P424-F427 PolarHBondContact O-N 3.27Å; N425-F427 VanDerWaalsContact C-N 3.25Å; N425-F427 PolarHBondContact O-N 3.45Å; F427-S431 PolarHBondContact O-N 2.85Å; F427-S431 VanDerWaalsContact O-N 3.11Å; F427-S431 PolarHBondContact O-OG 2.96Å; F427-L439 HydrophobicContact CD1-CD2 3.69Å; F427-L439 HydrophobicContact CD1-CG 4.33Å; F427-L439 HydrophobicContact CE1-CD2 4.25Å; F427-L439 HydrophobicContact CE1-CG 4.42Å; F427-P443 HydrophobicContact CB-CG 4.29Å; F427-P443 HydrophobicContact CD1-CG 3.89Å; F427-P443 HydrophobicContact CD2-CB 4.46Å; F427-P443 HydrophobicContact CD2-CG 4.31Å; F427-P443 HydrophobicContact CE1-CG 4.32Å; F427-P443 HydrophobicContact CG-CB 4.46Å; F427-P443 HydrophobicContact CG-CG 3.9Å; F427-S446 VanDerWaalsContact CE2-OG 3.29Å; F427-S446 WeakPolarHBondContact CE2-OG 3.47Å
428T94.2Very high94.3Very high95 Ų9548.5 Ų48.558%0.58326%0.259SS*.Hα-helixtrans-70.9-43176.655.90000110.7N425 F430 S431 Y432N425-T428 PolarHBondContact O-N 2.96Å; N425-T428 PolarHBondContact O-OG1 2.87Å; T428-F430 VanDerWaalsContact C-N 3.34Å; T428-F430 PolarHBondContact O-N 3.3Å; T428-S431 PolarHBondContact O-N 3.31Å; T428-Y432 PolarHBondContact O-N 2.78Å; T428-Y432 VanDerWaalsContact O-N 3.16Å
429Q94.9Very high94.2Very high75 Ų7550.7 Ų50.735%0.3527%0.271SS..Hα-helixtrans-57.8-44.4173.9-174.2-178.18.200112L365 N425 V426 Y432 S433L365-Q429 HydrophobicContact CD2-CB 4.47Å; L365-Q429 HydrophobicContact CD2-CG 4.02Å; N425-Q429 WeakPolarHBondContact O-CB 3.3Å; N425-Q429 PolarHBondContact O-N 3.14Å; V426-Q429 PolarHBondContact O-N 2.81Å; Q429-Y432 PolarHBondContact O-N 3.04Å; Q429-S433 WeakPolarHBondContact O-CB 3.26Å; Q429-S433 PolarHBondContact O-N 2.84Å; Q429-S433 PolarHBondContact O-OG 3.47Å
430F96.3Very high94.1Very high2 Ų252.8 Ų52.81%0.00928%0.279CS..Hα-helixtrans-62.4-51.6179.4-173-71.4000110.9L365 M369 V417 V426 T428 Y432 S433 H434 Y437 L439L365-F430 HydrophobicContact CD1-CD2 4.03Å; L365-F430 HydrophobicContact CD2-CB 3.92Å; L365-F430 HydrophobicContact CD2-CD2 4.16Å; L365-F430 HydrophobicContact CD2-CG 4.42Å; M369-F430 HydrophobicContact CE-CE2 3.83Å; M369-F430 HydrophobicContact CE-CZ 3.91Å; M369-F430 HydrophobicContact CG-CE2 4.5Å; M369-F430 HydrophobicContact SD-CD2 4.22Å; M369-F430 HydrophobicContact SD-CE2 3.43Å; M369-F430 WeakPolarHBondContact SD-CE2 3.38Å; M369-F430 HydrophobicContact SD-CZ 4.14Å; V417-F430 HydrophobicContact CB-CE2 4.16Å; V417-F430 HydrophobicContact CB-CZ 3.88Å; V417-F430 HydrophobicContact CG1-CE2 3.94Å; V417-F430 HydrophobicContact CG1-CZ 4.17Å; V417-F430 HydrophobicContact CG2-CE2 4.26Å; V417-F430 HydrophobicContact CG2-CZ 3.99Å; V426-F430 VanDerWaalsContact O-CB 3.22Å; V426-F430 WeakPolarHBondContact O-CB 3.27Å; V426-F430 PolarHBondContact O-N 3.35Å; T428-F430 VanDerWaalsContact C-N 3.34Å; T428-F430 PolarHBondContact O-N 3.3Å; F430-Y432 PolarHBondContact O-N 3.26Å; F430-S433 PolarHBondContact O-N 2.61Å; F430-S433 VanDerWaalsContact O-N 3.15Å; F430-S433 PolarHBondContact O-OG 3.32Å; F430-H434 HydrophobicContact CD1-CB 4.34Å; F430-H434 HydrophobicContact CE1-CB 4.05Å; F430-H434 HydrophobicContact CZ-CB 4.29Å; F430-H434 PolarHBondContact O-N 3.4Å; F430-Y437 HydrophobicContact CZ-CD1 4.49Å; F430-Y437 HydrophobicContact CZ-CG 4.23Å; F430-L439 HydrophobicContact CB-CD2 4.16Å; F430-L439 HydrophobicContact CD1-CB 4.13Å; F430-L439 HydrophobicContact CD1-CD1 3.87Å; F430-L439 HydrophobicContact CD1-CD2 3.7Å; F430-L439 HydrophobicContact CD1-CG 4.12Å; F430-L439 HydrophobicContact CD2-CD1 4.17Å; F430-L439 HydrophobicContact CE1-CB 3.99Å; F430-L439 HydrophobicContact CE1-CD1 3.86Å; F430-L439 HydrophobicContact CE1-CD2 4.36Å; F430-L439 HydrophobicContact CE1-CG 4.29Å; F430-L439 HydrophobicContact CE2-CD1 4.14Å; F430-L439 HydrophobicContact CG-CD1 4.05Å; F430-L439 HydrophobicContact CG-CD2 4.02Å; F430-L439 HydrophobicContact CZ-CD1 4.01Å
431S94.2Very high94Very high68 Ų6854.2 Ų54.248%0.47629%0.294SS..Hα-helixtrans-59.8-33.4-177.1-56.30000112.2F427 T428F427-S431 PolarHBondContact O-N 2.85Å; F427-S431 VanDerWaalsContact O-N 3.11Å; F427-S431 PolarHBondContact O-OG 2.96Å; T428-S431 PolarHBondContact O-N 3.31Å
432Y94.8Very high93.9Very high212 Ų21255.9 Ų55.983%0.83131%0.305SS*.Hα-helixtrans-74.9-44.4175.3-178.6-96.7000113.4T428 Q429 F430T428-Y432 PolarHBondContact O-N 2.78Å; T428-Y432 VanDerWaalsContact O-N 3.16Å; Q429-Y432 PolarHBondContact O-N 3.04Å; F430-Y432 PolarHBondContact O-N 3.26Å
433S95.7Very high93.9Very high54 Ų5458.3 Ų58.338%0.37832%0.322SS..Hα-helixtrans-84.7-25.5-172.1530000114.5Q429 F430 P435Q429-S433 WeakPolarHBondContact O-CB 3.26Å; Q429-S433 PolarHBondContact O-N 2.84Å; Q429-S433 PolarHBondContact O-OG 3.47Å; F430-S433 PolarHBondContact O-N 2.61Å; F430-S433 VanDerWaalsContact O-N 3.15Å; F430-S433 PolarHBondContact O-OG 3.32Å; S433-P435 VanDerWaalsContact C-CD 3.44Å
434H95.3Very high93.9Very high29 Ų2959.3 Ų59.313%0.13434%0.338CS..  trans-131.756.7-175.9-60.181000111.2M369 F430 N436 Y437M369-H434 VanDerWaalsContact CB-NE2 3.32Å; M369-H434 WeakPolarHBondContact CB-NE2 3.43Å; M369-H434 HydrophobicContact CE-CB 4.48Å; M369-H434 WeakPolarHBondContact CG-NE2 3.49Å; F430-H434 HydrophobicContact CD1-CB 4.34Å; F430-H434 HydrophobicContact CE1-CB 4.05Å; F430-H434 HydrophobicContact CZ-CB 4.29Å; F430-H434 PolarHBondContact O-N 3.4Å; H434-N436 PolarHBondContact O-N 3.29Å; H434-N436 VanDerWaalsContact O-N 3.07Å; H434-Y437 HydrophobicContact CB-CD2 3.9Å; H434-Y437 HydrophobicContact CB-CG 4.47Å; H434-Y437 PolarHBondContact O-N 2.9Å; H434-Y437 VanDerWaalsContact O-N 3.09Å
435P93.8Very high94.1Very high103 Ų10359.1 Ų59.167%0.66934%0.335SS*.THydrogen-bonded Turntrans-66-14.5-172.828.8-37.2000114S433 Y437S433-P435 VanDerWaalsContact C-CD 3.44Å; P435-Y437 VanDerWaalsContact C-N 3.34Å
436N92.9Very high94Very high113 Ų11354.1 Ų54.160%0.60431%0.308SS*.THydrogen-bonded Turntrans-84.6-4.6177.662.7-50.2000113.7H434H434-N436 PolarHBondContact O-N 3.29Å; H434-N436 VanDerWaalsContact O-N 3.07Å
437Y95.3Very high93.7Very high17 Ų1759.1 Ų59.17%0.06733%0.331CS..SBendtrans-95.6145.3177.9-85-99.2000111.9M369 V372 D373 F376 R415 V417 F430 H434 P435M369-Y437 HydrophobicContact CE-CD1 4.09Å; M369-Y437 HydrophobicContact CE-CD2 4.13Å; M369-Y437 HydrophobicContact CE-CE1 3.82Å; M369-Y437 HydrophobicContact CE-CE2 3.87Å; M369-Y437 HydrophobicContact CE-CG 4.23Å; V372-Y437 HydrophobicContact CG1-CE1 3.58Å; D373-Y437 PolarHBondContact OD1-OH 2.99Å; F376-Y437 HydrophobicContact CD2-CE1 4.04Å; F376-Y437 AromaticContact CE2-CE1 3.83Å; F376-Y437 HydrophobicContact CE2-CE1 3.83Å; R415-Y437 HydrophobicContact CB-CD1 3.66Å; R415-Y437 HydrophobicContact CB-CE1 3.48Å; R415-Y437 VanDerWaalsContact CB-CE1 3.48Å; R415-Y437 HydrophobicContact CB-CG 4.27Å; R415-Y437 WeakPolarHBondContact CD-OH 3.29Å; R415-Y437 HydrophobicContact CG-CE1 4.38Å; R415-Y437 WeakPolarHBondContact O-CA 3.03Å; V417-Y437 HydrophobicContact CG2-CD1 3.79Å; V417-Y437 HydrophobicContact CG2-CE1 4.05Å; F430-Y437 HydrophobicContact CZ-CD1 4.49Å; F430-Y437 HydrophobicContact CZ-CG 4.23Å; H434-Y437 HydrophobicContact CB-CD2 3.9Å; H434-Y437 HydrophobicContact CB-CG 4.47Å; H434-Y437 PolarHBondContact O-N 2.9Å; H434-Y437 VanDerWaalsContact O-N 3.09Å; P435-Y437 VanDerWaalsContact C-N 3.34Å
438I95.1Very high93.4Very high60 Ų6058.9 Ų58.931%0.30833%0.332SS..EExtended strand (participates in β ladder)trans-84.4117166.4-60.2179.2000108.1K414 R415 S416 V417 Y440K414-I438 HydrophobicContact CB-CD1 4.02Å; K414-I438 HydrophobicContact CD-CD1 3.75Å; K414-I438 HydrophobicContact CG-CD1 4.41Å; R415-I438 PolarHBondContact O-N 3.15Å; S416-I438 CarbonylContact C-O 3.59Å; S416-I438 WeakPolarHBondContact CA-O 3.45Å; V417-I438 PolarHBondContact N-O 2.72Å; I438-Y440 HydrophobicContact CG2-CD2 4.34Å; I438-Y440 HydrophobicContact CG2-CE1 4.08Å; I438-Y440 HydrophobicContact CG2-CE2 3.74Å
439L95.9Very high92.9Very high47 Ų4756 Ų5625%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-98.6119.1179.7-175.863000110.9V417 L419 F427 F430V417-L439 HydrophobicContact CB-CD1 4.5Å; V417-L439 HydrophobicContact CG1-CD1 4.24Å; L419-L439 HydrophobicContact CB-CD1 3.65Å; L419-L439 HydrophobicContact CD2-CD1 4.23Å; F427-L439 HydrophobicContact CD1-CD2 3.69Å; F427-L439 HydrophobicContact CD1-CG 4.33Å; F427-L439 HydrophobicContact CE1-CD2 4.25Å; F427-L439 HydrophobicContact CE1-CG 4.42Å; F430-L439 HydrophobicContact CB-CD2 4.16Å; F430-L439 HydrophobicContact CD1-CB 4.13Å; F430-L439 HydrophobicContact CD1-CD1 3.87Å; F430-L439 HydrophobicContact CD1-CD2 3.7Å; F430-L439 HydrophobicContact CD1-CG 4.12Å; F430-L439 HydrophobicContact CD2-CD1 4.17Å; F430-L439 HydrophobicContact CE1-CB 3.99Å; F430-L439 HydrophobicContact CE1-CD1 3.86Å; F430-L439 HydrophobicContact CE1-CD2 4.36Å; F430-L439 HydrophobicContact CE1-CG 4.29Å; F430-L439 HydrophobicContact CE2-CD1 4.14Å; F430-L439 HydrophobicContact CG-CD1 4.05Å; F430-L439 HydrophobicContact CG-CD2 4.02Å; F430-L439 HydrophobicContact CZ-CD1 4.01Å
440Y96.1Very high92.1Very high46 Ų4655.1 Ų55.118%0.1832%0.315CS..EExtended strand (participates in β ladder)trans-104.2159.1166.2-56.3-74.3000110.1S337 F338 V345 V417 L419 I438S337-Y440 WeakPolarHBondContact O-CE1 3.29Å; F338-Y440 HydrophobicContact CB-CD1 3.83Å; F338-Y440 HydrophobicContact CB-CD2 3.43Å; F338-Y440 VanDerWaalsContact CB-CD2 3.43Å; F338-Y440 HydrophobicContact CB-CE1 4.09Å; F338-Y440 HydrophobicContact CB-CE2 3.69Å; F338-Y440 HydrophobicContact CB-CG 3.49Å; F338-Y440 VanDerWaalsContact CB-CG 3.49Å; V345-Y440 HydrophobicContact CG1-CD2 4.27Å; V345-Y440 HydrophobicContact CG2-CE2 4.28Å; V417-Y440 PolarHBondContact O-N 2.78Å; L419-Y440 PolarHBondContact N-O 3.37Å; I438-Y440 HydrophobicContact CG2-CD2 4.34Å; I438-Y440 HydrophobicContact CG2-CE1 4.08Å; I438-Y440 HydrophobicContact CG2-CE2 3.74Å
441G93.7Very high91.2Very high31 Ų3158 Ų5832%0.3233%0.333SS..SBendtrans132.3177.5-175.700000110.4
442S93Very high90.1Very high42 Ų4261.9 Ų61.929%0.29434%0.343SS..  trans-132110.4-179.4175.70000109.9G444 R445 S446S442-G444 PolarHBondContact O-N 2.92Å; S442-G444 PolarHBondContact OG-N 3.44Å; S442-R445 PolarHBondContact O-N 2.67Å; S442-R445 PolarHBondContact OG-N 3.11Å; S442-S446 PolarHBondContact O-N 2.72Å
443P90.9Very high89.3Confident60 Ų6056.5 Ų56.539%0.3932%0.324SS..Hα-helixtrans-53.5-36.2170.7-26.133.8000111.7F427 R445 S446 H447F427-P443 HydrophobicContact CB-CG 4.29Å; F427-P443 HydrophobicContact CD1-CG 3.89Å; F427-P443 HydrophobicContact CD2-CB 4.46Å; F427-P443 HydrophobicContact CD2-CG 4.31Å; F427-P443 HydrophobicContact CE1-CG 4.32Å; F427-P443 HydrophobicContact CG-CB 4.46Å; F427-P443 HydrophobicContact CG-CG 3.9Å; P443-R445 VanDerWaalsContact C-N 3.32Å; P443-R445 PolarHBondContact O-N 3.34Å; P443-S446 WeakPolarHBondContact O-CB 3.44Å; P443-S446 PolarHBondContact O-N 3.33Å; P443-S446 VanDerWaalsContact O-N 3.16Å; P443-H447 PolarHBondContact O-N 3Å; P443-H447 PolarHBondContact O-ND1 2.95Å
444G91Very high88.5Confident47 Ų4758.1 Ų58.149%0.48532%0.322SS..Hα-helixtrans-62.6-34.8177.400000113.6S442 S448S442-G444 PolarHBondContact O-N 2.92Å; S442-G444 PolarHBondContact OG-N 3.44Å; G444-S448 PolarHBondContact O-N 2.85Å
445R92.1Very high87.7Confident19 Ų1962.2 Ų62.27%0.07234%0.342CS..Hα-helixtrans-68.7-40.2172.8-69.9-161.5-61.8-130.3-22111.8T334 Y418 S442 P443 H447 S448 A449 N462 D466T334-R445 PolarHBondContact OG1-NH1 3.33Å; Y418-R445 PolarHBondContact OH-NH1 3.22Å; Y418-R445 PolarHBondContact OH-NH2 3.27Å; S442-R445 PolarHBondContact O-N 2.67Å; S442-R445 PolarHBondContact OG-N 3.11Å; P443-R445 VanDerWaalsContact C-N 3.32Å; P443-R445 PolarHBondContact O-N 3.34Å; R445-H447 VanDerWaalsContact C-N 3.34Å; R445-H447 PolarHBondContact O-N 3.26Å; R445-S448 PolarHBondContact O-N 3.35Å; R445-S448 VanDerWaalsContact O-N 3.09Å; R445-S448 PolarHBondContact O-OG 3.19Å; R445-A449 PolarHBondContact O-N 2.88Å; R445-A449 VanDerWaalsContact O-N 3.17Å; R445-N462 HydrophobicContact CB-CB 4.05Å; R445-N462 HydrophobicContact CG-CB 3.7Å; R445-D466 IonicContact CZ-OD1 3.74Å; R445-D466 VanDerWaalsContact NE-CG 3.31Å; R445-D466 IonicContact NE-OD1 3.03Å; R445-D466 PolarHBondContact NE-OD1 2.85Å; R445-D466 IonicContact NE-OD2 2.69Å; R445-D466 PolarHBondContact NE-OD2 3.38Å; R445-D466 IonicContact NH1-OD1 3.64Å; R445-D466 IonicContact NH2-OD1 3.27Å; R445-D466 PolarHBondContact NH2-OD1 2.68Å
446S89.8Confident87.3Confident1 Ų160 Ų601%0.00733%0.327CS..Hα-helixtrans-59.3-42.6174.6-66.70000113T421 F427 S442 P443 S448 A449T421-S446 WeakPolarHBondContact CG2-OG 3.31Å; T421-S446 VanDerWaalsContact O-CA 3.24Å; T421-S446 WeakPolarHBondContact O-CA 3.33Å; T421-S446 WeakPolarHBondContact O-CB 3.17Å; T421-S446 PolarHBondContact O-OG 2.92Å; F427-S446 VanDerWaalsContact CE2-OG 3.29Å; F427-S446 WeakPolarHBondContact CE2-OG 3.47Å; S442-S446 PolarHBondContact O-N 2.72Å; P443-S446 WeakPolarHBondContact O-CB 3.44Å; P443-S446 PolarHBondContact O-N 3.33Å; P443-S446 VanDerWaalsContact O-N 3.16Å; S446-S448 VanDerWaalsContact C-N 3.29Å; S446-S448 PolarHBondContact O-N 2.82Å; S446-A449 PolarHBondContact O-N 3.33Å; S446-A449 VanDerWaalsContact O-N 3.14Å
447H88.3Confident87.1Confident104 Ų10458 Ų5848%0.48131%0.311SS..Hα-helixtrans-60.6-38.3174.4-70.486.4000112.2P424 P443 R445 A449 D450P424-H447 WeakPolarHBondContact CB-CE1 3.2Å; P443-H447 PolarHBondContact O-N 3Å; P443-H447 PolarHBondContact O-ND1 2.95Å; R445-H447 VanDerWaalsContact C-N 3.34Å; R445-H447 PolarHBondContact O-N 3.26Å; H447-A449 PolarHBondContact O-N 3.31Å; H447-D450 WeakPolarHBondContact O-CB 3.26Å; H447-D450 PolarHBondContact O-N 3.29Å
448S88.6Confident86.9Confident12 Ų1261.7 Ų61.78%0.08433%0.333CS..Hα-helixtrans-70.3-20.5178.370.70000114.1G444 R445 S446 D450 F453 S459 N462G444-S448 PolarHBondContact O-N 2.85Å; R445-S448 PolarHBondContact O-N 3.35Å; R445-S448 VanDerWaalsContact O-N 3.09Å; R445-S448 PolarHBondContact O-OG 3.19Å; S446-S448 VanDerWaalsContact C-N 3.29Å; S446-S448 PolarHBondContact O-N 2.82Å; S448-D450 VanDerWaalsContact C-N 3.34Å; S448-F453 CarbonylContact O-C 2.99Å; S448-S459 VanDerWaalsContact O-CB 3.27Å; S448-S459 WeakPolarHBondContact O-CB 3.42Å; S448-S459 PolarHBondContact O-OG 3.14Å; S448-N462 PolarHBondContact OG-ND2 3.18Å
449A83.4Confident86.7Confident33 Ų3359.2 Ų59.227%0.27332%0.32SS..THydrogen-bonded Turntrans-85.1-7.3178.900000113.4D422 R445 S446 H447D422-A449 HydrophobicContact CB-CB 4.12Å; R445-A449 PolarHBondContact O-N 2.88Å; R445-A449 VanDerWaalsContact O-N 3.17Å; S446-A449 PolarHBondContact O-N 3.33Å; S446-A449 VanDerWaalsContact O-N 3.14Å; H447-A449 PolarHBondContact O-N 3.31Å
450D78.3Confident86.4Confident58 Ų5857.7 Ų57.731%0.3131%0.312SS..SBendtrans-55.9146.1172.8-163.8-54.1000110.5H447 S448 E452 F453 R454H447-D450 WeakPolarHBondContact O-CB 3.26Å; H447-D450 PolarHBondContact O-N 3.29Å; S448-D450 VanDerWaalsContact C-N 3.34Å; D450-E452 PolarHBondContact O-N 2.91Å; D450-E452 PolarHBondContact OD1-N 3Å; D450-F453 HydrophobicContact CB-CD2 4.35Å; D450-F453 PolarHBondContact O-N 3.47Å; D450-R454 VanDerWaalsContact O-CB 3.31Å; D450-R454 WeakPolarHBondContact O-CB 3.36Å; D450-R454 PolarHBondContact O-N 2.72Å
451V76.5Confident86.3Confident62 Ų6256.3 Ų56.338%0.37631%0.308SS..THydrogen-bonded Turntrans-51.1-32.8-178.6-178.50000112.1D354D354-V451 HydrophobicContact CB-CG2 3.96Å
452E72.6Confident86.3Confident150 Ų15056 Ų5670%0.70130%0.299SS*.THydrogen-bonded Turntrans-66.3-40177.9-170.1176.3-179.100113.2D450D450-E452 PolarHBondContact O-N 2.91Å; D450-E452 PolarHBondContact OD1-N 3Å
453F77.9Confident86.3Confident98 Ų9855.1 Ų55.143%0.4330%0.295SS..THydrogen-bonded Turntrans-109.2-6.5-171.7-53.3-65.4000114S448 D450 M455 T456 S459S448-F453 CarbonylContact O-C 2.99Å; D450-F453 HydrophobicContact CB-CD2 4.35Å; D450-F453 PolarHBondContact O-N 3.47Å; F453-M455 PolarHBondContact O-N 3.11Å; F453-M455 VanDerWaalsContact O-N 3.14Å; F453-T456 WeakPolarHBondContact O-CB 2.85Å; F453-T456 VanDerWaalsContact O-CG2 3.26Å; F453-T456 WeakPolarHBondContact O-CG2 3.44Å; F453-T456 PolarHBondContact O-N 2.68Å; F453-T456 PolarHBondContact O-OG1 3.42Å; F453-S459 WeakPolarHBondContact O-CB 3.08Å
454R78.7Confident86.5Confident89 Ų8952.3 Ų52.334%0.33628%0.276SS..SBendtrans-61-30.1-169.568.4179-179.6-179.45.4114D354 D450 T456 S459D354-R454 VanDerWaalsContact CG-NH1 3.29Å; D354-R454 IonicContact OD1-NH1 3.8Å; D354-R454 IonicContact OD2-CZ 2.7Å; D354-R454 IonicContact OD2-NH1 3.7Å; D354-R454 PolarHBondContact OD2-NH1 2.91Å; D354-R454 IonicContact OD2-NH2 3.7Å; D450-R454 VanDerWaalsContact O-CB 3.31Å; D450-R454 WeakPolarHBondContact O-CB 3.36Å; D450-R454 PolarHBondContact O-N 2.72Å; R454-T456 PolarHBondContact O-N 3.21Å; R454-T456 VanDerWaalsContact O-N 3.15Å; R454-S459 VanDerWaalsContact CA-OG 3.3Å; R454-S459 WeakPolarHBondContact CA-OG 3.45Å; R454-S459 VanDerWaalsContact O-CB 3.27Å; R454-S459 WeakPolarHBondContact O-CB 3.35Å; R454-S459 PolarHBondContact O-OG 3.49Å
455M78.1Confident86.8Confident114 Ų11450.6 Ų50.656%0.56226%0.256SS*.SBendtrans-88.954.5178.6-58.9-57.7-74.700110.3I246 F453I246-M455 HydrophobicContact CD1-CB 4.22Å; I246-M455 WeakPolarHBondContact CD1-O 3.4Å; F453-M455 PolarHBondContact O-N 3.11Å; F453-M455 VanDerWaalsContact O-N 3.14Å
456T85.9Confident87Confident56 Ų5650.4 Ų50.434%0.34426%0.256SS..SBendtrans-131.6152.9173.761.60000110F453 R454 N458 S459 M460F453-T456 WeakPolarHBondContact O-CB 2.85Å; F453-T456 VanDerWaalsContact O-CG2 3.26Å; F453-T456 WeakPolarHBondContact O-CG2 3.44Å; F453-T456 PolarHBondContact O-N 2.68Å; F453-T456 PolarHBondContact O-OG1 3.42Å; R454-T456 PolarHBondContact O-N 3.21Å; R454-T456 VanDerWaalsContact O-N 3.15Å; T456-N458 PolarHBondContact O-N 2.83Å; T456-S459 PolarHBondContact O-N 3.1Å; T456-S459 VanDerWaalsContact OG1-CB 3.26Å; T456-S459 WeakPolarHBondContact OG1-CB 3.31Å; T456-S459 PolarHBondContact OG1-N 3.39Å; T456-M460 PolarHBondContact O-N 2.88Å
457Y88Confident87.3Confident71 Ų7150.3 Ų50.328%0.27826%0.256SS..Hα-helixtrans-57.7-37.3176.4-173.1-83.7000112.3W250 Q253 N254 M460 N461W250-Y457 HydrophobicContact CB-CD2 4.26Å; W250-Y457 HydrophobicContact CB-CE2 4.14Å; W250-Y457 HydrophobicContact CG-CE2 4.49Å; Q253-Y457 HydrophobicContact CB-CE2 4.42Å; Q253-Y457 WeakPolarHBondContact CB-OH 3.42Å; Q253-Y457 PolarHBondContact OE1-OH 2.92Å; N254-Y457 PolarHBondContact ND2-OH 3Å; Y457-M460 WeakPolarHBondContact O-CB 3.36Å; Y457-M460 PolarHBondContact O-N 3.37Å; Y457-N461 VanDerWaalsContact CE1-ND2 3.26Å; Y457-N461 WeakPolarHBondContact CE1-ND2 2.82Å; Y457-N461 PolarHBondContact O-N 3.26Å
458N90.7Very high87.8Confident96 Ų9646.6 Ų46.651%0.51324%0.239SC..Hα-helixtrans-68.5-42.8177.6-172.256.6000112.4T456 M460 N461 N462T456-N458 PolarHBondContact O-N 2.83Å; N458-M460 VanDerWaalsContact C-N 3.29Å; N458-M460 PolarHBondContact O-N 3.31Å; N458-N461 WeakPolarHBondContact O-CB 3.46Å; N458-N461 PolarHBondContact O-N 3.43Å; N458-N462 WeakPolarHBondContact O-CB 2.95Å; N458-N462 VanDerWaalsContact O-CG 3.25Å; N458-N462 PolarHBondContact O-N 3.43Å; N458-N462 PolarHBondContact O-ND2 3.05Å
459S91Very high88.2Confident7 Ų746.1 Ų46.15%0.04924%0.236CC..Hα-helixtrans-58.2-43.1172168.40000111.4S448 F453 R454 T456 N461 N462 A463S448-S459 VanDerWaalsContact O-CB 3.27Å; S448-S459 WeakPolarHBondContact O-CB 3.42Å; S448-S459 PolarHBondContact O-OG 3.14Å; F453-S459 WeakPolarHBondContact O-CB 3.08Å; R454-S459 VanDerWaalsContact CA-OG 3.3Å; R454-S459 WeakPolarHBondContact CA-OG 3.45Å; R454-S459 VanDerWaalsContact O-CB 3.27Å; R454-S459 WeakPolarHBondContact O-CB 3.35Å; R454-S459 PolarHBondContact O-OG 3.49Å; T456-S459 PolarHBondContact O-N 3.1Å; T456-S459 VanDerWaalsContact OG1-CB 3.26Å; T456-S459 WeakPolarHBondContact OG1-CB 3.31Å; T456-S459 PolarHBondContact OG1-N 3.39Å; S459-N461 PolarHBondContact O-N 3.3Å; S459-N462 PolarHBondContact O-N 2.85Å; S459-N462 VanDerWaalsContact O-N 3.16Å; S459-A463 WeakPolarHBondContact O-CB 3.32Å; S459-A463 PolarHBondContact O-N 2.76Å
460M90.3Very high88.9Confident15 Ų1544.5 Ų44.57%0.07422%0.223CC..Hα-helixtrans-60.2-47.7177.6-168.764.667.300112.1F215 I246 F247 W250 T456 Y457 N458 N462 A463 V464F215-M460 HydrophobicContact CB-CE 4.15Å; F215-M460 HydrophobicContact CB-SD 3.64Å; F215-M460 HydrophobicContact CD2-SD 3.45Å; F215-M460 WeakPolarHBondContact CD2-SD 3.43Å; F215-M460 HydrophobicContact CE2-SD 4.34Å; F215-M460 HydrophobicContact CG-SD 3.69Å; I246-M460 HydrophobicContact CG2-CB 4.43Å; I246-M460 HydrophobicContact CG2-CE 4.43Å; F247-M460 HydrophobicContact CB-CE 3.83Å; F247-M460 HydrophobicContact CD2-CE 4.09Å; F247-M460 HydrophobicContact CD2-SD 3.82Å; F247-M460 HydrophobicContact CG-CE 4.41Å; W250-M460 HydrophobicContact CB-CB 4.36Å; W250-M460 HydrophobicContact CB-CG 3.7Å; W250-M460 HydrophobicContact CD2-CG 3.58Å; W250-M460 HydrophobicContact CE3-CG 4.17Å; W250-M460 HydrophobicContact CG-CB 3.95Å; W250-M460 HydrophobicContact CG-CG 3.28Å; T456-M460 PolarHBondContact O-N 2.88Å; Y457-M460 WeakPolarHBondContact O-CB 3.36Å; Y457-M460 PolarHBondContact O-N 3.37Å; N458-M460 VanDerWaalsContact C-N 3.29Å; N458-M460 PolarHBondContact O-N 3.31Å; M460-N462 VanDerWaalsContact C-N 3.31Å; M460-N462 PolarHBondContact O-N 3.24Å; M460-A463 PolarHBondContact O-N 3.38Å; M460-V464 VanDerWaalsContact O-CG2 3.24Å; M460-V464 WeakPolarHBondContact O-CG2 3.48Å; M460-V464 PolarHBondContact O-N 2.84Å
461N93Very high89.8Confident18 Ų1842.1 Ų42.110%0.09621%0.21CC..Hα-helixtrans-52.3-50.9171.7-89.4-32.9000111.3W250 F327 Y457 N458 S459 V464 I465W250-N461 PolarHBondContact NE1-OD1 2.86Å; F327-N461 WeakPolarHBondContact CE2-OD1 3.28Å; Y457-N461 VanDerWaalsContact CE1-ND2 3.26Å; Y457-N461 WeakPolarHBondContact CE1-ND2 2.82Å; Y457-N461 PolarHBondContact O-N 3.26Å; N458-N461 WeakPolarHBondContact O-CB 3.46Å; N458-N461 PolarHBondContact O-N 3.43Å; S459-N461 PolarHBondContact O-N 3.3Å; N461-V464 PolarHBondContact O-N 3.27Å; N461-I465 WeakPolarHBondContact O-CD1 3.38Å; N461-I465 WeakPolarHBondContact O-CG1 3.3Å; N461-I465 PolarHBondContact O-N 2.88Å
462N94Very high90.8Very high23 Ų2341 Ų4112%0.12320%0.202CC..Hα-helixtrans-64.5-43.6-176.2-71.6-22.2000112.5R445 S448 N458 S459 M460 V464 I465 D466R445-N462 HydrophobicContact CB-CB 4.05Å; R445-N462 HydrophobicContact CG-CB 3.7Å; S448-N462 PolarHBondContact OG-ND2 3.18Å; N458-N462 WeakPolarHBondContact O-CB 2.95Å; N458-N462 VanDerWaalsContact O-CG 3.25Å; N458-N462 PolarHBondContact O-N 3.43Å; N458-N462 PolarHBondContact O-ND2 3.05Å; S459-N462 PolarHBondContact O-N 2.85Å; S459-N462 VanDerWaalsContact O-N 3.16Å; M460-N462 VanDerWaalsContact C-N 3.31Å; M460-N462 PolarHBondContact O-N 3.24Å; N462-V464 PolarHBondContact O-N 3.11Å; N462-I465 PolarHBondContact O-N 3.36Å; N462-D466 PolarHBondContact O-N 3.42Å
463A93.6Very high92Very high25 Ų2533.9 Ų33.921%0.20717%0.168CC..Hα-helixtrans-61.9-43.217800000112F215 S459 M460 D466 V467F215-A463 HydrophobicContact CD1-CB 4.22Å; S459-A463 WeakPolarHBondContact O-CB 3.32Å; S459-A463 PolarHBondContact O-N 2.76Å; M460-A463 PolarHBondContact O-N 3.38Å; A463-D466 PolarHBondContact O-N 3.27Å; A463-V467 WeakPolarHBondContact O-CG2 3.4Å; A463-V467 PolarHBondContact O-N 2.92Å
464V95Very high92.9Very high1 Ų131.9 Ų31.91%0.00616%0.162CC..Hα-helixtrans-65.6-42.8176.9176.50000110.9F215 W250 F327 M460 N461 N462 D466 V467 I468F215-V464 HydrophobicContact CD1-CG2 4.48Å; F215-V464 HydrophobicContact CD2-CG2 4.23Å; F215-V464 HydrophobicContact CE1-CG2 3.82Å; F215-V464 HydrophobicContact CE2-CG2 3.51Å; F215-V464 HydrophobicContact CZ-CB 4.23Å; F215-V464 HydrophobicContact CZ-CG2 3.3Å; W250-V464 HydrophobicContact CD2-CG2 4.47Å; W250-V464 HydrophobicContact CE3-CG2 4.33Å; W250-V464 HydrophobicContact CH2-CB 3.94Å; W250-V464 HydrophobicContact CH2-CG1 3.64Å; W250-V464 HydrophobicContact CH2-CG2 3.45Å; W250-V464 VanDerWaalsContact CH2-CG2 3.45Å; W250-V464 HydrophobicContact CZ2-CB 3.81Å; W250-V464 HydrophobicContact CZ2-CG1 3.88Å; W250-V464 HydrophobicContact CZ2-CG2 3.52Å; W250-V464 HydrophobicContact CZ3-CG2 3.85Å; F327-V464 HydrophobicContact CE1-CG1 3.73Å; F327-V464 HydrophobicContact CZ-CB 3.98Å; F327-V464 HydrophobicContact CZ-CG1 3.65Å; M460-V464 VanDerWaalsContact O-CG2 3.24Å; M460-V464 WeakPolarHBondContact O-CG2 3.48Å; M460-V464 PolarHBondContact O-N 2.84Å; N461-V464 PolarHBondContact O-N 3.27Å; N462-V464 PolarHBondContact O-N 3.11Å; V464-D466 VanDerWaalsContact C-N 3.31Å; V464-D466 PolarHBondContact O-N 2.9Å; V464-V467 PolarHBondContact O-N 3.48Å; V464-I468 HydrophobicContact CG1-CD1 3.81Å; V464-I468 HydrophobicContact CG1-CG1 4.4Å; V464-I468 WeakPolarHBondContact O-CG1 3.47Å; V464-I468 PolarHBondContact O-N 2.89Å
465I96.3Very high93.7Very high10 Ų1028.9 Ų28.95%0.05115%0.151CC..Hα-helixtrans-62.7-40.8177-63.1165000110.4F327 L330 I331 T334 N461 N462 I468 A469F327-I465 HydrophobicContact CE2-CD1 4.08Å; F327-I465 HydrophobicContact CE2-CG1 3.81Å; F327-I465 HydrophobicContact CZ-CG1 3.82Å; L330-I465 HydrophobicContact CB-CD1 4.1Å; I331-I465 HydrophobicContact CG1-CG1 4.35Å; T334-I465 HydrophobicContact CG2-CG2 3.94Å; T334-I465 VanDerWaalsContact OG1-CG2 3.25Å; T334-I465 WeakPolarHBondContact OG1-CG2 3.43Å; N461-I465 WeakPolarHBondContact O-CD1 3.38Å; N461-I465 WeakPolarHBondContact O-CG1 3.3Å; N461-I465 PolarHBondContact O-N 2.88Å; N462-I465 PolarHBondContact O-N 3.36Å; I465-I468 PolarHBondContact O-N 3.38Å; I465-A469 VanDerWaalsContact O-CB 3.26Å; I465-A469 WeakPolarHBondContact O-CB 3.48Å; I465-A469 PolarHBondContact O-N 3.13Å
466D96.9Very high94.7Very high15 Ų1523.4 Ų23.48%0.0813%0.125CC..Hα-helixtrans-63.4-43175.5-83.6-33.7000112.2Y418 A420 R445 N462 A463 V464 I468 A469 L470Y418-D466 PolarHBondContact OH-OD1 3.31Å; A420-D466 HydrophobicContact CB-CB 4.05Å; R445-D466 IonicContact CZ-OD1 3.74Å; R445-D466 VanDerWaalsContact NE-CG 3.31Å; R445-D466 IonicContact NE-OD1 3.03Å; R445-D466 PolarHBondContact NE-OD1 2.85Å; R445-D466 IonicContact NE-OD2 2.69Å; R445-D466 PolarHBondContact NE-OD2 3.38Å; R445-D466 IonicContact NH1-OD1 3.64Å; R445-D466 IonicContact NH2-OD1 3.27Å; R445-D466 PolarHBondContact NH2-OD1 2.68Å; N462-D466 PolarHBondContact O-N 3.42Å; A463-D466 PolarHBondContact O-N 3.27Å; V464-D466 VanDerWaalsContact C-N 3.31Å; V464-D466 PolarHBondContact O-N 2.9Å; D466-I468 PolarHBondContact O-N 3.48Å; D466-A469 PolarHBondContact O-N 3.11Å; D466-L470 WeakPolarHBondContact O-CB 3.21Å; D466-L470 WeakPolarHBondContact O-CG 3.02Å; D466-L470 PolarHBondContact O-N 3.29Å
467V97.4Very high95.2Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-58.7-47.1174.1165.50000111.8F215 A463 V464 L470 S471 I484 L487 A488 L491F215-V467 HydrophobicContact CE1-CG2 4.04Å; A463-V467 WeakPolarHBondContact O-CG2 3.4Å; A463-V467 PolarHBondContact O-N 2.92Å; V464-V467 PolarHBondContact O-N 3.48Å; V467-L470 PolarHBondContact O-N 2.76Å; V467-S471 PolarHBondContact O-N 3.37Å; V467-I484 HydrophobicContact CG2-CB 4.45Å; V467-I484 HydrophobicContact CG2-CD1 4.24Å; V467-I484 HydrophobicContact CG2-CG2 3.61Å; V467-L487 HydrophobicContact CG1-CB 4.32Å; V467-L487 HydrophobicContact CG1-CD2 3.93Å; V467-L487 HydrophobicContact CG1-CG 3.83Å; V467-A488 HydrophobicContact CG1-CB 4.36Å; V467-L491 HydrophobicContact CG1-CD1 3.69Å
468I97.5Very high95.6Very high26 Ų2617.4 Ų17.413%0.13310%0.095CC..Hα-helixtrans-67.3-38.1179.4-66.3170.5000110.8F327 I331 V464 I465 D466 S471 M472F327-I468 HydrophobicContact CE1-CD1 4.45Å; I331-I468 HydrophobicContact CD1-CD1 3.49Å; I331-I468 VanDerWaalsContact CD1-CD1 3.49Å; I331-I468 HydrophobicContact CG1-CD1 3.99Å; I331-I468 HydrophobicContact CG2-CG2 3.65Å; V464-I468 HydrophobicContact CG1-CD1 3.81Å; V464-I468 HydrophobicContact CG1-CG1 4.4Å; V464-I468 WeakPolarHBondContact O-CG1 3.47Å; V464-I468 PolarHBondContact O-N 2.89Å; I465-I468 PolarHBondContact O-N 3.38Å; D466-I468 PolarHBondContact O-N 3.48Å; I468-S471 PolarHBondContact O-N 2.92Å; I468-S471 PolarHBondContact O-OG 2.95Å; I468-M472 HydrophobicContact CG2-CG 4.38Å; I468-M472 VanDerWaalsContact O-CB 3.29Å; I468-M472 WeakPolarHBondContact O-CB 3.37Å; I468-M472 WeakPolarHBondContact O-CG 3.37Å; I468-M472 PolarHBondContact O-N 3.15Å
469A97.5Very high95.5Very high1 Ų113 Ų131%0.0087%0.072CC..Hα-helixtrans-66.9-43.1177.100000111.9T334 L335 F338 Y418 I465 D466 M472 T473T334-A469 HydrophobicContact CG2-CB 4.02Å; L335-A469 HydrophobicContact CD2-CB 4.4Å; F338-A469 HydrophobicContact CE1-CB 4Å; F338-A469 HydrophobicContact CZ-CB 4.33Å; Y418-A469 HydrophobicContact CD1-CB 4.3Å; Y418-A469 HydrophobicContact CD2-CB 4.4Å; Y418-A469 HydrophobicContact CE1-CB 3.57Å; Y418-A469 HydrophobicContact CE2-CB 3.67Å; Y418-A469 WeakPolarHBondContact OH-CB 3.46Å; I465-A469 VanDerWaalsContact O-CB 3.26Å; I465-A469 WeakPolarHBondContact O-CB 3.48Å; I465-A469 PolarHBondContact O-N 3.13Å; D466-A469 PolarHBondContact O-N 3.11Å; A469-M472 PolarHBondContact O-N 2.99Å; A469-M472 VanDerWaalsContact O-N 3.13Å; A469-T473 WeakPolarHBondContact O-CG2 3.13Å; A469-T473 PolarHBondContact O-N 3.09Å
470L98.3Very high95.4Very high0 Ų013.2 Ų13.20%07%0.072CC..Hα-helixtrans-58.8-46.5173.7-72.8167.8000111.7H349 Y418 A420 D466 V467 M472 T473 L476 A488H349-L470 HydrophobicContact CB-CD1 3.83Å; H349-L470 HydrophobicContact CB-CD2 4.21Å; Y418-L470 HydrophobicContact CD1-CD2 3.96Å; Y418-L470 HydrophobicContact CD1-CG 4.31Å; Y418-L470 HydrophobicContact CE1-CD2 4.35Å; Y418-L470 HydrophobicContact CE1-CG 4.26Å; A420-L470 HydrophobicContact CB-CD1 3.79Å; A420-L470 HydrophobicContact CB-CD2 4.07Å; A420-L470 HydrophobicContact CB-CG 4.03Å; D466-L470 WeakPolarHBondContact O-CB 3.21Å; D466-L470 WeakPolarHBondContact O-CG 3.02Å; D466-L470 PolarHBondContact O-N 3.29Å; V467-L470 PolarHBondContact O-N 2.76Å; L470-M472 PolarHBondContact O-N 2.8Å; L470-M472 VanDerWaalsContact O-N 3.15Å; L470-T473 PolarHBondContact O-N 2.95Å; L470-T473 VanDerWaalsContact O-N 3.16Å; L470-T473 PolarHBondContact O-OG1 3.27Å; L470-L476 HydrophobicContact CB-CD1 4.13Å; L470-L476 HydrophobicContact CD2-CD1 3.87Å; L470-L476 HydrophobicContact CG-CD1 4.47Å; L470-A488 HydrophobicContact CB-CB 3.72Å; L470-A488 HydrophobicContact CD1-CB 4.31Å
471S97.8Very high95Very high7 Ų713.3 Ų13.35%0.0497%0.074CC..Hα-helixtrans-64.3-19.8178.375.90000113.4V467 I468 A488 R495V467-S471 PolarHBondContact O-N 3.37Å; I468-S471 PolarHBondContact O-N 2.92Å; I468-S471 PolarHBondContact O-OG 2.95Å; S471-A488 WeakPolarHBondContact CA-O 3.23Å; S471-A488 WeakPolarHBondContact CB-O 3.37Å; S471-R495 VanDerWaalsContact O-CD 3.24Å; S471-R495 WeakPolarHBondContact O-CD 3.37Å; S471-R495 PolarHBondContact O-NH1 2.93Å
472M97.1Very high94.7Very high40 Ų4012.6 Ų12.620%0.1977%0.07CC..THydrogen-bonded Turntrans-93.92.4-179.5-70.9-65.5-9100114L335 F338 K339 I468 A469 L470 R495L335-M472 HydrophobicContact CD1-CE 3.86Å; L335-M472 HydrophobicContact CD1-CG 4.22Å; L335-M472 HydrophobicContact CD2-CB 3.55Å; L335-M472 HydrophobicContact CD2-CG 3.82Å; F338-M472 HydrophobicContact CZ-CB 4.27Å; K339-M472 WeakPolarHBondContact CE-O 3.35Å; K339-M472 VanDerWaalsContact NZ-CE 3.26Å; K339-M472 PolarHBondContact NZ-O 3.3Å; I468-M472 HydrophobicContact CG2-CG 4.38Å; I468-M472 VanDerWaalsContact O-CB 3.29Å; I468-M472 WeakPolarHBondContact O-CB 3.37Å; I468-M472 WeakPolarHBondContact O-CG 3.37Å; I468-M472 PolarHBondContact O-N 3.15Å; A469-M472 PolarHBondContact O-N 2.99Å; A469-M472 VanDerWaalsContact O-N 3.13Å; L470-M472 PolarHBondContact O-N 2.8Å; L470-M472 VanDerWaalsContact O-N 3.15Å; M472-R495 VanDerWaalsContact CA-NH1 3.28Å; M472-R495 PolarHBondContact O-NH1 3.07Å; M472-R495 PolarHBondContact O-NH2 3.29Å; M472-R495 VanDerWaalsContact SD-CD 3.55Å; M472-R495 HydrophobicContact SD-CG 4.2Å
473T97.3Very high94.4Very high0 Ų012.4 Ų12.40%07%0.069CC..SBendtrans-81167.2172.263.80000113F338 V345 G347 A469 L470 F475 R495F338-T473 HydrophobicContact CE2-CG2 4.18Å; F338-T473 HydrophobicContact CZ-CG2 4.49Å; V345-T473 HydrophobicContact CG1-CG2 4.34Å; V345-T473 WeakPolarHBondContact O-CB 3.26Å; G347-T473 PolarHBondContact N-OG1 3.08Å; A469-T473 WeakPolarHBondContact O-CG2 3.13Å; A469-T473 PolarHBondContact O-N 3.09Å; L470-T473 PolarHBondContact O-N 2.95Å; L470-T473 VanDerWaalsContact O-N 3.16Å; L470-T473 PolarHBondContact O-OG1 3.27Å; T473-F475 PolarHBondContact OG1-O 3.19Å; T473-R495 PolarHBondContact O-NH1 2.6Å
474D95.8Very high94.3Very high56 Ų5612.7 Ų12.730%0.2997%0.067SC..SBendtrans-84.1-20.5-177-59.1-76000113.2P344 V345 F375P344-D474 VanDerWaalsContact CA-OD2 3.26Å; P344-D474 WeakPolarHBondContact CA-OD2 3.13Å; P344-D474 HydrophobicContact CB-CB 4.38Å; V345-D474 PolarHBondContact N-OD2 3.37Å; V345-D474 PolarHBondContact O-N 2.86Å; F375-D474 HydrophobicContact CZ-CB 4.32Å
475F97Very high94.2Very high25 Ų2512.7 Ų12.711%0.117%0.067CC..EExtended strand (participates in β ladder)trans-153.4142.8175.4-166.9-109.2000109.3V346 G347 F375 T473 V477 L505 H507V346-F475 CarbonylContact C-O 3.56Å; V346-F475 WeakPolarHBondContact CA-O 3.32Å; V346-F475 HydrophobicContact CG1-CB 4.32Å; V346-F475 HydrophobicContact CG1-CD1 4.1Å; V346-F475 WeakPolarHBondContact CG1-O 3.16Å; V346-F475 HydrophobicContact CG2-CB 4.29Å; G347-F475 PolarHBondContact N-O 3.09Å; F375-F475 HydrophobicContact CB-CD1 4.01Å; F375-F475 HydrophobicContact CB-CE1 4.31Å; F375-F475 HydrophobicContact CB-CG 4.45Å; F375-F475 HydrophobicContact CD1-CB 4.4Å; F375-F475 HydrophobicContact CD2-CB 3.62Å; F375-F475 AromaticContact CD2-CD1 3.98Å; F375-F475 HydrophobicContact CD2-CD1 3.98Å; F375-F475 AromaticContact CD2-CD2 3.83Å; F375-F475 HydrophobicContact CD2-CD2 3.83Å; F375-F475 AromaticContact CD2-CG 3.54Å; F375-F475 HydrophobicContact CD2-CG 3.54Å; F375-F475 HydrophobicContact CE1-CB 4.28Å; F375-F475 HydrophobicContact CE2-CB 3.52Å; F375-F475 HydrophobicContact CE2-CD2 4.13Å; F375-F475 AromaticContact CE2-CG 3.92Å; F375-F475 HydrophobicContact CE2-CG 3.92Å; F375-F475 HydrophobicContact CG-CB 4.06Å; F375-F475 HydrophobicContact CG-CD1 4.06Å; F375-F475 HydrophobicContact CG-CG 4.04Å; F375-F475 HydrophobicContact CZ-CB 3.85Å; T473-F475 PolarHBondContact OG1-O 3.19Å; F475-V477 HydrophobicContact CD1-CG2 3.79Å; F475-V477 HydrophobicContact CE1-CG2 3.72Å; F475-L505 WeakPolarHBondContact CA-O 3.48Å; F475-L505 HydrophobicContact CD2-CB 4.36Å; F475-L505 WeakPolarHBondContact CD2-O 3.41Å; F475-L505 VanDerWaalsContact CE2-C 3.5Å; F475-H507 HydrophobicContact CE1-CB 4Å; F475-H507 HydrophobicContact CZ-CB 3.87Å
476L97.9Very high94Very high0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans-114.4130.3-179.3-178.161.4000111G347 L470 A488 M492 L505 C506 H507G347-L476 CarbonylContact O-C 3.56Å; G347-L476 WeakPolarHBondContact O-CA 3.48Å; L470-L476 HydrophobicContact CB-CD1 4.13Å; L470-L476 HydrophobicContact CD2-CD1 3.87Å; L470-L476 HydrophobicContact CG-CD1 4.47Å; L476-A488 HydrophobicContact CD2-CB 4.05Å; L476-M492 HydrophobicContact CB-CE 3.88Å; L476-L505 PolarHBondContact N-O 3.34Å; L476-C506 HydrophobicContact CB-CB 4.18Å; L476-C506 CarbonylContact O-C 3.57Å; L476-C506 WeakPolarHBondContact O-CA 3.47Å; L476-C506 PolarHBondContact O-SG 2.88Å; L476-C506 VanDerWaalsContact O-SG 3.41Å; L476-H507 PolarHBondContact O-N 3.37Å
477V97.7Very high93.8Very high0 Ų012.4 Ų12.40%06%0.064CC..EExtended strand (participates in β ladder)trans-122.3122.8174-176.20000109.1V346 G347 V348 H349 Y368 Q371 V372 F475 H507 I509V346-V477 HydrophobicContact CG1-CG2 3.83Å; G347-V477 PolarHBondContact O-N 3.22Å; V348-V477 WeakPolarHBondContact CA-O 3.4Å; V348-V477 HydrophobicContact CG2-CB 4.45Å; H349-V477 PolarHBondContact N-O 3.37Å; Y368-V477 HydrophobicContact CD1-CG1 4.09Å; Q371-V477 HydrophobicContact CB-CG1 3.9Å; Q371-V477 HydrophobicContact CB-CG2 4.04Å; Q371-V477 HydrophobicContact CG-CG1 4.35Å; V372-V477 HydrophobicContact CG2-CG2 4.15Å; F475-V477 HydrophobicContact CD1-CG2 3.79Å; F475-V477 HydrophobicContact CE1-CG2 3.72Å; V477-H507 WeakPolarHBondContact CA-O 3.44Å; V477-I509 HydrophobicContact CG1-CD1 4.24Å; V477-I509 HydrophobicContact CG1-CG1 4.43Å
478C95.2Very high93.8Very high0 Ų012.4 Ų12.40%06%0.064CC..EExtended strand (participates in β ladder)trans-161.8-163.1-174.373.70000113.5H349 C485 H507 S508 I509H349-C478 HydrophobicContact CB-CB 3.91Å; C478-C485 HydrophobicContact CB-CB 3.53Å; C478-C485 WeakPolarHBondContact CB-SG 3.47Å; C478-C485 WeakPolarHBondContact SG-CB 3.25Å; C478-C485 CovalentContact SG-SG 1.98Å; C478-C485 PolarHBondContact SG-SG 2.03Å; C478-H507 PolarHBondContact N-O 3.31Å; C478-S508 CarbonylContact O-C 3.54Å; C478-S508 VanDerWaalsContact O-CA 3.27Å; C478-S508 WeakPolarHBondContact O-CA 3.42Å; C478-I509 PolarHBondContact O-N 3.49Å
479T89.9Confident93.7Very high4 Ų411.3 Ų11.33%0.0256%0.058CC..  trans-116.4127.1163.847.40000110.4Y368 S481 S482 D510Y368-T479 WeakPolarHBondContact OH-CG2 3.47Å; T479-S481 VanDerWaalsContact C-N 3.28Å; T479-S481 PolarHBondContact O-N 2.76Å; T479-S482 WeakPolarHBondContact O-CB 3.35Å; T479-S482 PolarHBondContact O-N 2.88Å; T479-S482 VanDerWaalsContact O-N 3.11Å; T479-D510 WeakPolarHBondContact CA-OD1 3.31Å; T479-D510 VanDerWaalsContact CB-OD2 3.27Å; T479-D510 WeakPolarHBondContact CB-OD2 3.48Å; T479-D510 HydrophobicContact CG2-CB 4.21Å
480F87Confident93.6Very high12 Ų1211.4 Ų11.45%0.0536%0.058CC..THydrogen-bonded Turntrans-80.3-6.5178.2-76.2-34000113.9S482 C485 R486 Y489 C506 S508 D510 F511 F513F480-S482 PolarHBondContact O-N 3.32Å; F480-C485 HydrophobicContact CD1-CB 4.39Å; F480-R486 HydrophobicContact CB-CG 4.26Å; F480-R486 HydrophobicContact CD1-CG 3.88Å; F480-R486 HydrophobicContact CG-CG 4.36Å; F480-R486 WeakPolarHBondContact O-CD 2.9Å; F480-R486 PolarHBondContact O-NH1 2.69Å; F480-R486 VanDerWaalsContact O-NH1 3.09Å; F480-Y489 HydrophobicContact CE1-CD1 4.18Å; F480-Y489 HydrophobicContact CE1-CG 4.17Å; F480-Y489 AromaticContact CZ-CD1 3.96Å; F480-Y489 HydrophobicContact CZ-CD1 3.96Å; F480-Y489 HydrophobicContact CZ-CE1 4.36Å; F480-Y489 HydrophobicContact CZ-CG 4.07Å; F480-C506 HydrophobicContact CZ-CB 4.22Å; F480-C506 WeakPolarHBondContact CZ-SG 3.47Å; F480-S508 WeakPolarHBondContact CD2-OG 3.44Å; F480-S508 VanDerWaalsContact CE2-CB 3.5Å; F480-S508 PolarHBondContact N-OG 3.38Å; F480-D510 PolarHBondContact N-OD1 2.98Å; F480-F511 WeakPolarHBondContact CD2-O 3.25Å; F480-F513 HydrophobicContact CD1-CD2 4.06Å; F480-F513 VanDerWaalsContact CD2-CA 3.41Å; F480-F513 HydrophobicContact CD2-CB 3.69Å; F480-F513 AromaticContact CD2-CD2 3.98Å; F480-F513 HydrophobicContact CD2-CD2 3.98Å; F480-F513 HydrophobicContact CD2-CG 4.33Å; F480-F513 VanDerWaalsContact CD2-N 3.27Å; F480-F513 AromaticContact CE1-CD2 3.81Å; F480-F513 HydrophobicContact CE1-CD2 3.81Å; F480-F513 HydrophobicContact CE2-CB 3.34Å; F480-F513 AromaticContact CE2-CD2 3.78Å; F480-F513 HydrophobicContact CE2-CD2 3.78Å; F480-F513 HydrophobicContact CE2-CG 4.04Å; F480-F513 HydrophobicContact CG-CD2 4.14Å; F480-F513 HydrophobicContact CZ-CB 3.96Å; F480-F513 AromaticContact CZ-CD2 3.65Å; F480-F513 HydrophobicContact CZ-CD2 3.65Å; F480-F513 HydrophobicContact CZ-CG 4.24Å
481S82.4Confident93.6Very high17 Ų1712 Ų1212%0.1196%0.062CC..THydrogen-bonded Turntrans-59.2-22.3158.856.80000112.3K355 T479 D510K355-S481 WeakPolarHBondContact CE-O 3.27Å; K355-S481 PolarHBondContact NZ-O 3.14Å; T479-S481 VanDerWaalsContact C-N 3.28Å; T479-S481 PolarHBondContact O-N 2.76Å; S481-D510 WeakPolarHBondContact CB-OD2 3.06Å; S481-D510 PolarHBondContact N-OD2 3.47Å; S481-D510 PolarHBondContact OG-OD2 2.91Å
482S87.5Confident93.6Very high2 Ų211.7 Ų11.71%0.0146%0.059CC..SBendtrans-88.7120.8175-173.50000113.2H349 T479 F480 I484 C485 R486H349-S482 PolarHBondContact CE1-OG 3.35Å; H349-S482 VanDerWaalsContact CE1-OG 3.24Å; T479-S482 WeakPolarHBondContact O-CB 3.35Å; T479-S482 PolarHBondContact O-N 2.88Å; T479-S482 VanDerWaalsContact O-N 3.11Å; F480-S482 PolarHBondContact O-N 3.32Å; S482-I484 PolarHBondContact O-N 3.33Å; S482-I484 PolarHBondContact OG-N 2.9Å; S482-C485 PolarHBondContact O-N 2.81Å; S482-R486 PolarHBondContact O-N 2.97Å; S482-R486 VanDerWaalsContact O-N 3.13Å
483N87Confident93.5Very high19 Ų199.8 Ų9.810%0.1025%0.05CC..Hα-helixtrans-55.6-32170.6-66.7-42.7000113.2H220 W288 C485 R486 L487H220-N483 PolarHBondContact CE1-O 3.43Å; W288-N483 VanDerWaalsContact CE3-OD1 3.32Å; W288-N483 VanDerWaalsContact CH2-ND2 3.26Å; W288-N483 WeakPolarHBondContact CH2-ND2 3.48Å; W288-N483 WeakPolarHBondContact CH2-OD1 3.3Å; W288-N483 HydrophobicContact CZ3-CB 4.29Å; W288-N483 WeakPolarHBondContact CZ3-OD1 3.48Å; N483-C485 VanDerWaalsContact C-N 3.34Å; N483-C485 PolarHBondContact O-N 3.13Å; N483-R486 PolarHBondContact O-N 3.36Å; N483-R486 PolarHBondContact OD1-NE 2.98Å; N483-R486 PolarHBondContact OD1-NH2 3.48Å; N483-L487 VanDerWaalsContact O-CB 3.29Å; N483-L487 WeakPolarHBondContact O-CB 2.99Å; N483-L487 PolarHBondContact O-N 3.46Å
484I91.6Very high93.5Very high32 Ų3211.9 Ų11.916%0.1646%0.063CC..Hα-helixtrans-61.9-43.8176.6-61-58.5000110.7F215 H349 V467 S482 A488F215-I484 HydrophobicContact CD1-CD1 3.7Å; F215-I484 HydrophobicContact CE1-CD1 4.31Å; H349-I484 WeakPolarHBondContact NE2-CG2 3.33Å; V467-I484 HydrophobicContact CG2-CB 4.45Å; V467-I484 HydrophobicContact CG2-CD1 4.24Å; V467-I484 HydrophobicContact CG2-CG2 3.61Å; S482-I484 PolarHBondContact O-N 3.33Å; S482-I484 PolarHBondContact OG-N 2.9Å; I484-A488 PolarHBondContact O-N 3.45Å; I484-A488 VanDerWaalsContact O-N 3.08Å
485C93.1Very high93.5Very high0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-71.2-42.9178.1-173.30000112C478 F480 S482 N483 L487 A488 Y489C478-C485 HydrophobicContact CB-CB 3.53Å; C478-C485 WeakPolarHBondContact CB-SG 3.47Å; C478-C485 WeakPolarHBondContact SG-CB 3.25Å; C478-C485 CovalentContact SG-SG 1.98Å; C478-C485 PolarHBondContact SG-SG 2.03Å; F480-C485 HydrophobicContact CD1-CB 4.39Å; S482-C485 PolarHBondContact O-N 2.81Å; N483-C485 VanDerWaalsContact C-N 3.34Å; N483-C485 PolarHBondContact O-N 3.13Å; C485-L487 VanDerWaalsContact C-N 3.29Å; C485-L487 PolarHBondContact O-N 2.98Å; C485-A488 PolarHBondContact O-N 2.88Å; C485-A488 VanDerWaalsContact O-N 3.15Å; C485-Y489 PolarHBondContact O-N 3Å
486R91.7Very high93.3Very high19 Ų199.3 Ų9.37%0.0725%0.048CC..Hα-helixtrans-56.1-46.5176.6-68.4-164.2-71.3-139.818.8111.4F480 S482 N483 A488 Y489 E490 F513 E516F480-R486 HydrophobicContact CB-CG 4.26Å; F480-R486 HydrophobicContact CD1-CG 3.88Å; F480-R486 HydrophobicContact CG-CG 4.36Å; F480-R486 WeakPolarHBondContact O-CD 2.9Å; F480-R486 PolarHBondContact O-NH1 2.69Å; F480-R486 VanDerWaalsContact O-NH1 3.09Å; S482-R486 PolarHBondContact O-N 2.97Å; S482-R486 VanDerWaalsContact O-N 3.13Å; N483-R486 PolarHBondContact O-N 3.36Å; N483-R486 PolarHBondContact OD1-NE 2.98Å; N483-R486 PolarHBondContact OD1-NH2 3.48Å; R486-A488 PolarHBondContact O-N 2.92Å; R486-Y489 PolarHBondContact O-N 3.36Å; R486-E490 WeakPolarHBondContact O-CB 2.93Å; R486-E490 VanDerWaalsContact O-CD 3.26Å; R486-E490 WeakPolarHBondContact O-CG 3.41Å; R486-E490 PolarHBondContact O-N 3.24Å; R486-F513 HydrophobicContact CB-CE2 4.25Å; R486-F513 HydrophobicContact CG-CE2 4.11Å; R486-E516 IonicContact NH1-OE1 3.22Å; R486-E516 PolarHBondContact NH1-OE1 3.28Å; R486-E516 IonicContact NH1-OE2 3.81Å; R486-E516 PolarHBondContact NH1-OE2 3.18Å
487L93.7Very high93Very high0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-62.3-40.8177.2-17561.1000112.5F215 M219 M223 A317 V467 N483 C485 E490 L491F215-L487 HydrophobicContact CE1-CD2 3.98Å; F215-L487 HydrophobicContact CZ-CD2 3.94Å; M219-L487 HydrophobicContact CB-CD2 3.93Å; M219-L487 HydrophobicContact CE-CD1 4.44Å; M219-L487 HydrophobicContact CG-CD2 3.93Å; M223-L487 HydrophobicContact SD-CD1 3.94Å; A317-L487 HydrophobicContact CB-CD1 3.88Å; V467-L487 HydrophobicContact CG1-CB 4.32Å; V467-L487 HydrophobicContact CG1-CD2 3.93Å; V467-L487 HydrophobicContact CG1-CG 3.83Å; N483-L487 VanDerWaalsContact O-CB 3.29Å; N483-L487 WeakPolarHBondContact O-CB 2.99Å; N483-L487 PolarHBondContact O-N 3.46Å; C485-L487 VanDerWaalsContact C-N 3.29Å; C485-L487 PolarHBondContact O-N 2.98Å; L487-E490 WeakPolarHBondContact CA-OE2 3.49Å; L487-E490 PolarHBondContact O-N 2.89Å; L487-L491 HydrophobicContact CD1-CD1 4.5Å; L487-L491 HydrophobicContact CG-CD1 4.29Å; L487-L491 WeakPolarHBondContact O-CB 3.33Å; L487-L491 WeakPolarHBondContact O-CG 3.47Å; L487-L491 PolarHBondContact O-N 3.45Å
488A97.3Very high92.6Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-63.5-42.4175.100000111.9V467 L470 S471 L476 I484 C485 R486 L491 M492V467-A488 HydrophobicContact CG1-CB 4.36Å; L470-A488 HydrophobicContact CB-CB 3.72Å; L470-A488 HydrophobicContact CD1-CB 4.31Å; S471-A488 WeakPolarHBondContact CA-O 3.23Å; S471-A488 WeakPolarHBondContact CB-O 3.37Å; L476-A488 HydrophobicContact CD2-CB 4.05Å; I484-A488 PolarHBondContact O-N 3.45Å; I484-A488 VanDerWaalsContact O-N 3.08Å; C485-A488 PolarHBondContact O-N 2.88Å; C485-A488 VanDerWaalsContact O-N 3.15Å; R486-A488 PolarHBondContact O-N 2.92Å; A488-L491 PolarHBondContact O-N 3.34Å; A488-M492 WeakPolarHBondContact O-CB 3.31Å; A488-M492 PolarHBondContact O-N 3.06Å
489Y95.6Very high92.4Very high4 Ų422.8 Ų22.82%0.01611%0.114CC..Hα-helixtrans-67.3-40177174.8-117.4000112.7V310 F480 C485 R486 M492 Q493 T503 C506 F513V310-Y489 HydrophobicContact CB-CE1 4.4Å; V310-Y489 HydrophobicContact CG1-CD1 3.74Å; V310-Y489 HydrophobicContact CG1-CE1 3.4Å; V310-Y489 VanDerWaalsContact CG1-CE1 3.4Å; V310-Y489 HydrophobicContact CG2-CE1 4.32Å; F480-Y489 HydrophobicContact CE1-CD1 4.18Å; F480-Y489 HydrophobicContact CE1-CG 4.17Å; F480-Y489 AromaticContact CZ-CD1 3.96Å; F480-Y489 HydrophobicContact CZ-CD1 3.96Å; F480-Y489 HydrophobicContact CZ-CE1 4.36Å; F480-Y489 HydrophobicContact CZ-CG 4.07Å; C485-Y489 PolarHBondContact O-N 3Å; R486-Y489 PolarHBondContact O-N 3.36Å; Y489-M492 WeakPolarHBondContact O-CB 3.44Å; Y489-M492 PolarHBondContact O-N 3.48Å; Y489-Q493 WeakPolarHBondContact O-CG 3.23Å; Y489-Q493 PolarHBondContact O-N 3.48Å; Y489-Q493 PolarHBondContact O-NE2 2.75Å; Y489-T503 WeakPolarHBondContact OH-CA 3.3Å; Y489-T503 PolarHBondContact OH-O 2.96Å; Y489-C506 HydrophobicContact CD2-CB 3.37Å; Y489-C506 HydrophobicContact CE2-CB 3.55Å; Y489-C506 HydrophobicContact CG-CB 4.21Å; Y489-F513 AromaticContact CD1-CD2 3.36Å; Y489-F513 HydrophobicContact CD1-CD2 3.36Å; Y489-F513 AromaticContact CD1-CE2 3.41Å; Y489-F513 HydrophobicContact CD1-CE2 3.41Å; Y489-F513 VanDerWaalsContact CD1-CE2 3.41Å; Y489-F513 AromaticContact CD1-CG 3.96Å; Y489-F513 HydrophobicContact CD1-CG 3.96Å; Y489-F513 HydrophobicContact CD1-CZ 4.08Å; Y489-F513 HydrophobicContact CE1-CB 4.17Å; Y489-F513 HydrophobicContact CE1-CD1 4Å; Y489-F513 AromaticContact CE1-CD2 3.51Å; Y489-F513 HydrophobicContact CE1-CD2 3.51Å; Y489-F513 HydrophobicContact CE1-CE1 4.33Å; Y489-F513 AromaticContact CE1-CE2 3.82Å; Y489-F513 HydrophobicContact CE1-CE2 3.82Å; Y489-F513 AromaticContact CE1-CG 3.58Å; Y489-F513 HydrophobicContact CE1-CG 3.58Å; Y489-F513 HydrophobicContact CE1-CZ 4.19Å
490E94.9Very high92.4Very high2 Ų223 Ų231%0.00912%0.116CC..Hα-helixtrans-61.5-48.3174-71.6153.7-166.200110.9H220 M223 V310 A313 G314 R486 L487 M492 Q493 F513H220-E490 IonicContact CD2-OE1 3.37Å; H220-E490 IonicContact CD2-OE2 3.51Å; H220-E490 IonicContact CE1-OE1 2.68Å; H220-E490 IonicContact CE1-OE2 2.78Å; H220-E490 VanDerWaalsContact NE2-CD 3.27Å; H220-E490 IonicContact NE2-OE1 3.59Å; H220-E490 PolarHBondContact NE2-OE1 3.33Å; H220-E490 IonicContact NE2-OE2 2.72Å; H220-E490 PolarHBondContact NE2-OE2 3.26Å; M223-E490 WeakPolarHBondContact CE-OE2 3.28Å; V310-E490 HydrophobicContact CG1-CG 4.19Å; A313-E490 HydrophobicContact CB-CG 4.01Å; G314-E490 WeakPolarHBondContact CA-O 3.42Å; R486-E490 WeakPolarHBondContact O-CB 2.93Å; R486-E490 VanDerWaalsContact O-CD 3.26Å; R486-E490 WeakPolarHBondContact O-CG 3.41Å; R486-E490 PolarHBondContact O-N 3.24Å; L487-E490 WeakPolarHBondContact CA-OE2 3.49Å; L487-E490 PolarHBondContact O-N 2.89Å; E490-M492 VanDerWaalsContact C-N 3.28Å; E490-M492 PolarHBondContact O-N 3.27Å; E490-Q493 VanDerWaalsContact O-CB 3.32Å; E490-Q493 WeakPolarHBondContact O-CB 3.32Å; E490-Q493 PolarHBondContact O-N 3.18Å; E490-Q493 VanDerWaalsContact O-N 3.11Å; E490-F513 HydrophobicContact CG-CZ 4.4Å
491L97.5Very high92.6Very high13 Ų1323.5 Ų23.57%0.06812%0.12CC..Hα-helixtrans-62.7-34.2175.7-74.8169.4000112.5A317 A318 L321 V467 L487 A488 Q493 T494A317-L491 HydrophobicContact CB-CD2 3.71Å; A317-L491 HydrophobicContact CB-CG 4.12Å; A318-L491 HydrophobicContact CB-CD2 4.49Å; L321-L491 HydrophobicContact CD1-CD1 3.95Å; L321-L491 HydrophobicContact CD1-CD2 4.47Å; V467-L491 HydrophobicContact CG1-CD1 3.69Å; L487-L491 HydrophobicContact CD1-CD1 4.5Å; L487-L491 HydrophobicContact CG-CD1 4.29Å; L487-L491 WeakPolarHBondContact O-CB 3.33Å; L487-L491 WeakPolarHBondContact O-CG 3.47Å; L487-L491 PolarHBondContact O-N 3.45Å; A488-L491 PolarHBondContact O-N 3.34Å; L491-Q493 PolarHBondContact O-N 2.94Å; L491-T494 WeakPolarHBondContact O-CB 3.43Å; L491-T494 WeakPolarHBondContact O-CG2 3.16Å; L491-T494 PolarHBondContact O-N 3.1Å; L491-T494 PolarHBondContact O-OG1 2.72Å
492M97.8Very high93.1Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-58.5-33.4175.7-178.1-176.6-76.500111.4L476 A488 Y489 E490 T494 R495 L499 A502 L505L476-M492 HydrophobicContact CB-CE 3.88Å; A488-M492 WeakPolarHBondContact O-CB 3.31Å; A488-M492 PolarHBondContact O-N 3.06Å; Y489-M492 WeakPolarHBondContact O-CB 3.44Å; Y489-M492 PolarHBondContact O-N 3.48Å; E490-M492 VanDerWaalsContact C-N 3.28Å; E490-M492 PolarHBondContact O-N 3.27Å; M492-T494 PolarHBondContact O-N 2.9Å; M492-R495 WeakPolarHBondContact O-CB 3.38Å; M492-R495 PolarHBondContact O-N 3.47Å; M492-R495 VanDerWaalsContact O-N 3.14Å; M492-L499 HydrophobicContact CG-CD1 3.82Å; M492-L499 HydrophobicContact SD-CD1 4.41Å; M492-A502 HydrophobicContact CG-CB 3.99Å; M492-A502 HydrophobicContact SD-CB 4.33Å; M492-L505 HydrophobicContact SD-CB 3.92Å
493Q95.8Very high93.2Very high1 Ų123 Ų231%0.00512%0.116CC..THydrogen-bonded Turntrans-63.3-15.3178.8-52.5-44.4-56.700113.4H305 V310 Y489 E490 L491 R495 H496 A502H305-Q493 PolarHBondContact CE1-OE1 3.03Å; H305-Q493 VanDerWaalsContact CE1-OE1 3.29Å; H305-Q493 PolarHBondContact NE2-OE1 3.37Å; V310-Q493 HydrophobicContact CB-CG 4.3Å; V310-Q493 HydrophobicContact CG1-CG 3.61Å; Y489-Q493 WeakPolarHBondContact O-CG 3.23Å; Y489-Q493 PolarHBondContact O-N 3.48Å; Y489-Q493 PolarHBondContact O-NE2 2.75Å; E490-Q493 VanDerWaalsContact O-CB 3.32Å; E490-Q493 WeakPolarHBondContact O-CB 3.32Å; E490-Q493 PolarHBondContact O-N 3.18Å; E490-Q493 VanDerWaalsContact O-N 3.11Å; L491-Q493 PolarHBondContact O-N 2.94Å; Q493-R495 VanDerWaalsContact C-N 3.31Å; Q493-H496 PolarHBondContact O-CD2 2.81Å; Q493-H496 PolarHBondContact O-NE2 3Å; Q493-A502 PolarHBondContact NE2-O 3.34Å; Q493-A502 VanDerWaalsContact OE1-C 3.24Å
494T97.3Very high93.2Very high43 Ų4327.3 Ų27.326%0.26414%0.136SC..THydrogen-bonded Turntrans-81.2-11.4-179.972.50000113.3G314 A318 L491 M492 H496G314-T494 VanDerWaalsContact O-CG2 3.27Å; G314-T494 WeakPolarHBondContact O-CG2 3.5Å; A318-T494 HydrophobicContact CB-CG2 4.01Å; L491-T494 WeakPolarHBondContact O-CB 3.43Å; L491-T494 WeakPolarHBondContact O-CG2 3.16Å; L491-T494 PolarHBondContact O-N 3.1Å; L491-T494 PolarHBondContact O-OG1 2.72Å; M492-T494 PolarHBondContact O-N 2.9Å; T494-H496 PolarHBondContact O-CE1 3.2Å; T494-H496 VanDerWaalsContact O-CE1 3.29Å; T494-H496 PolarHBondContact O-N 3.49Å; T494-H496 PolarHBondContact O-ND1 3.21Å
495R96Very high93.3Very high21 Ų2127.9 Ų27.98%0.07914%0.139CC..  trans-84.544.7-175.2-64.6173.563.1-155.5-5.2113S471 M472 T473 M492 Q493 M497 E498 L499S471-R495 VanDerWaalsContact O-CD 3.24Å; S471-R495 WeakPolarHBondContact O-CD 3.37Å; S471-R495 PolarHBondContact O-NH1 2.93Å; M472-R495 VanDerWaalsContact CA-NH1 3.28Å; M472-R495 PolarHBondContact O-NH1 3.07Å; M472-R495 PolarHBondContact O-NH2 3.29Å; M472-R495 VanDerWaalsContact SD-CD 3.55Å; M472-R495 HydrophobicContact SD-CG 4.2Å; T473-R495 PolarHBondContact O-NH1 2.6Å; M492-R495 WeakPolarHBondContact O-CB 3.38Å; M492-R495 PolarHBondContact O-N 3.47Å; M492-R495 VanDerWaalsContact O-N 3.14Å; Q493-R495 VanDerWaalsContact C-N 3.31Å; R495-M497 VanDerWaalsContact C-N 3.26Å; R495-M497 PolarHBondContact O-N 3.21Å; R495-M497 VanDerWaalsContact O-N 3.17Å; R495-E498 IonicContact CZ-OE2 3.56Å; R495-E498 VanDerWaalsContact CZ-OE2 3.27Å; R495-E498 IonicContact NE-OE2 3.55Å; R495-E498 PolarHBondContact NE-OE2 2.84Å; R495-E498 IonicContact NH2-OE2 3.88Å; R495-E498 PolarHBondContact NH2-OE2 2.77Å; R495-E498 PolarHBondContact O-N 3.44Å; R495-L499 HydrophobicContact CB-CD1 4.12Å; R495-L499 HydrophobicContact CB-CG 4.24Å; R495-L499 PolarHBondContact O-N 2.74Å
496H93.4Very high93.3Very high6 Ų628.9 Ų28.93%0.02815%0.145CC..Hα-helixtrans-57-38.2-173-37110000113.4V176 L179 N180 A183 W311 Q315 Q493 T494 E498 G500V176-H496 WeakPolarHBondContact CG1-O 3.28Å; V176-H496 WeakPolarHBondContact CG2-O 3.4Å; L179-H496 HydrophobicContact CB-CB 3.9Å; N180-H496 HydrophobicContact CB-CB 4.5Å; A183-H496 VanDerWaalsContact CB-CE1 3.41Å; A183-H496 WeakPolarHBondContact CB-CE1 3.47Å; W311-H496 AromaticContact CD1-NE2 3.55Å; W311-H496 AromaticContact CE2-NE2 3.76Å; W311-H496 AromaticContact NE1-CD2 3.47Å; W311-H496 PolarHBondContact NE1-CD2 2.59Å; W311-H496 AromaticContact NE1-CE1 3.75Å; W311-H496 AromaticContact NE1-NE2 2.79Å; W311-H496 PolarHBondContact NE1-NE2 2.81Å; Q315-H496 PolarHBondContact NE2-CE1 3.29Å; Q493-H496 PolarHBondContact O-CD2 2.81Å; Q493-H496 PolarHBondContact O-NE2 3Å; T494-H496 PolarHBondContact O-CE1 3.2Å; T494-H496 VanDerWaalsContact O-CE1 3.29Å; T494-H496 PolarHBondContact O-N 3.49Å; T494-H496 PolarHBondContact O-ND1 3.21Å; H496-E498 VanDerWaalsContact C-N 3.27Å; H496-E498 PolarHBondContact O-N 2.87Å; H496-G500 VanDerWaalsContact O-CA 3.25Å; H496-G500 WeakPolarHBondContact O-CA 3.42Å; H496-G500 PolarHBondContact O-N 3.01Å
497M91.1Very high93.4Very high123 Ų12331.2 Ų31.261%0.60616%0.157SC*.Hα-helixtrans-68.2-27.6-177.6-65.4-58.4-59.300112.9V176 N180 R495V176-M497 HydrophobicContact CG1-CE 4.23Å; V176-M497 HydrophobicContact CG1-SD 3.74Å; N180-M497 HydrophobicContact CB-SD 3.95Å; R495-M497 VanDerWaalsContact C-N 3.26Å; R495-M497 PolarHBondContact O-N 3.21Å; R495-M497 VanDerWaalsContact O-N 3.17Å
498E89.1Confident93.2Very high120 Ų12032 Ų3256%0.56116%0.163SC*.Hα-helixtrans-95.7-45.7-179-65.3175.1-159.900111.4K339 R495 H496K339-E498 IonicContact NZ-OE2 3.97Å; R495-E498 IonicContact CZ-OE2 3.56Å; R495-E498 VanDerWaalsContact CZ-OE2 3.27Å; R495-E498 IonicContact NE-OE2 3.55Å; R495-E498 PolarHBondContact NE-OE2 2.84Å; R495-E498 IonicContact NH2-OE2 3.88Å; R495-E498 PolarHBondContact NH2-OE2 2.77Å; R495-E498 PolarHBondContact O-N 3.44Å; H496-E498 VanDerWaalsContact C-N 3.27Å; H496-E498 PolarHBondContact O-N 2.87Å
499L90.4Very high92.8Very high41 Ų4133.7 Ų33.722%0.21517%0.171CC..Hα-helixtrans-109.9-16.3-168.7-58.7-178.7000114M492 R495 D501 A502 L505M492-L499 HydrophobicContact CG-CD1 3.82Å; M492-L499 HydrophobicContact SD-CD1 4.41Å; R495-L499 HydrophobicContact CB-CD1 4.12Å; R495-L499 HydrophobicContact CB-CG 4.24Å; R495-L499 PolarHBondContact O-N 2.74Å; L499-D501 PolarHBondContact O-N 3.09Å; L499-A502 HydrophobicContact CB-CB 4.26Å; L499-A502 HydrophobicContact CD1-CB 4.15Å; L499-L505 HydrophobicContact CB-CD1 3.93Å; L499-L505 HydrophobicContact CD1-CD1 3.83Å; L499-L505 HydrophobicContact CD2-CD1 3.92Å; L499-L505 HydrophobicContact CG-CD1 4.1Å
500G90.5Very high92.2Very high7 Ų735.3 Ų35.37%0.07218%0.18CC..SBendtrans67.4-113.6-16900000111.7L179 H496L179-G500 WeakPolarHBondContact CD1-O 3.33Å; H496-G500 VanDerWaalsContact O-CA 3.25Å; H496-G500 WeakPolarHBondContact O-CA 3.42Å; H496-G500 PolarHBondContact O-N 3.01Å
501D90.9Very high91.1Very high24 Ų2440 Ų4013%0.12820%0.201CC..  trans-97.6112.4175173.5-2.7000108.3R175 L179 H305 E306 L499 T503R175-D501 IonicContact NH1-OD2 2.65Å; L179-D501 HydrophobicContact CD1-CB 4.37Å; H305-D501 WeakPolarHBondContact CA-OD2 3.4Å; H305-D501 IonicContact CD2-OD1 2.96Å; H305-D501 IonicContact CE1-OD1 3.86Å; H305-D501 PolarHBondContact CE1-OD1 3.2Å; H305-D501 IonicContact CG-OD1 3.89Å; H305-D501 IonicContact ND1-OD1 2.81Å; H305-D501 IonicContact NE2-OD1 3.51Å; H305-D501 PolarHBondContact NE2-OD1 2.88Å; E306-D501 PolarHBondContact N-OD2 2.94Å; L499-D501 PolarHBondContact O-N 3.09Å; D501-T503 VanDerWaalsContact OD1-CB 3.23Å; D501-T503 WeakPolarHBondContact OD1-CB 3.47Å; D501-T503 PolarHBondContact OD1-N 2.82Å; D501-T503 PolarHBondContact OD1-OG1 3.31Å
502A93.1Very high89.7Confident1 Ų142.2 Ų42.21%0.00822%0.221CC..  trans-95.514-173.200000113M492 Q493 L499 Q504 L505M492-A502 HydrophobicContact CG-CB 3.99Å; M492-A502 HydrophobicContact SD-CB 4.33Å; Q493-A502 PolarHBondContact NE2-O 3.34Å; Q493-A502 VanDerWaalsContact OE1-C 3.24Å; L499-A502 HydrophobicContact CB-CB 4.26Å; L499-A502 HydrophobicContact CD1-CB 4.15Å; A502-Q504 PolarHBondContact O-N 3.41Å; A502-L505 HydrophobicContact CB-CB 4.43Å; A502-L505 HydrophobicContact CB-CD1 3.96Å; A502-L505 HydrophobicContact CB-CG 4.42Å; A502-L505 PolarHBondContact O-N 3.49Å; A502-L505 VanDerWaalsContact O-N 3.08Å
503T89.6Confident88.1Confident7 Ų742.9 Ų42.94%0.04322%0.224CC..THydrogen-bonded Turntrans-54.9-39.8-178.5-57.60000112.1H305 E306 A307 Y489 D501H305-T503 PolarHBondContact CE1-OG1 3.32Å; H305-T503 PolarHBondContact ND1-OG1 2.93Å; E306-T503 HydrophobicContact CB-CG2 3.89Å; E306-T503 HydrophobicContact CG-CG2 3.95Å; A307-T503 HydrophobicContact CB-CG2 3.53Å; A307-T503 PolarHBondContact N-OG1 3.23Å; Y489-T503 WeakPolarHBondContact OH-CA 3.3Å; Y489-T503 PolarHBondContact OH-O 2.96Å; D501-T503 VanDerWaalsContact OD1-CB 3.23Å; D501-T503 WeakPolarHBondContact OD1-CB 3.47Å; D501-T503 PolarHBondContact OD1-N 2.82Å; D501-T503 PolarHBondContact OD1-OG1 3.31Å
504Q87.8Confident86.4Confident110 Ų11044.6 Ų44.651%0.51423%0.232SC..THydrogen-bonded Turntrans-938.7-176.2-61.5-61.1-30.200113.7E306 A502 C506E306-Q504 PolarHBondContact OE1-NE2 2.76Å; E306-Q504 WeakPolarHBondContact OE2-CG 3.32Å; E306-Q504 PolarHBondContact OE2-NE2 2.79Å; A502-Q504 PolarHBondContact O-N 3.41Å; Q504-C506 VanDerWaalsContact C-N 3.32Å
505L92.9Very high84.6Confident43 Ų4344.2 Ų44.223%0.22523%0.227CC..SBendtrans-97.324.1-176.7-59.1-178.7000112.9F475 L476 M492 L499 A502F475-L505 WeakPolarHBondContact CA-O 3.48Å; F475-L505 HydrophobicContact CD2-CB 4.36Å; F475-L505 WeakPolarHBondContact CD2-O 3.41Å; F475-L505 VanDerWaalsContact CE2-C 3.5Å; L476-L505 PolarHBondContact N-O 3.34Å; M492-L505 HydrophobicContact SD-CB 3.92Å; L499-L505 HydrophobicContact CB-CD1 3.93Å; L499-L505 HydrophobicContact CD1-CD1 3.83Å; L499-L505 HydrophobicContact CD2-CD1 3.92Å; L499-L505 HydrophobicContact CG-CD1 4.1Å; A502-L505 HydrophobicContact CB-CB 4.43Å; A502-L505 HydrophobicContact CB-CD1 3.96Å; A502-L505 HydrophobicContact CB-CG 4.42Å; A502-L505 PolarHBondContact O-N 3.49Å; A502-L505 VanDerWaalsContact O-N 3.08Å
506C93.8Very high82.6Confident21 Ų2145.4 Ų45.414%0.14223%0.234CC..EExtended strand (participates in β ladder)trans-141.2147.6174.8-169.90000111.4L476 F480 Y489 Q504L476-C506 HydrophobicContact CB-CB 4.18Å; L476-C506 CarbonylContact O-C 3.57Å; L476-C506 WeakPolarHBondContact O-CA 3.47Å; L476-C506 PolarHBondContact O-SG 2.88Å; L476-C506 VanDerWaalsContact O-SG 3.41Å; F480-C506 HydrophobicContact CZ-CB 4.22Å; F480-C506 WeakPolarHBondContact CZ-SG 3.47Å; Y489-C506 HydrophobicContact CD2-CB 3.37Å; Y489-C506 HydrophobicContact CE2-CB 3.55Å; Y489-C506 HydrophobicContact CG-CB 4.21Å; Q504-C506 VanDerWaalsContact C-N 3.32Å
507H91.9Very high80.8Confident68 Ų6845.2 Ų45.232%0.31523%0.233SC..EExtended strand (participates in β ladder)trans-130.6134.3169.5-170.990.1000110.2Q371 F475 L476 V477 C478Q371-H507 VanDerWaalsContact CG-CD2 3.5Å; Q371-H507 WeakPolarHBondContact CG-CD2 3.35Å; F475-H507 HydrophobicContact CE1-CB 4Å; F475-H507 HydrophobicContact CZ-CB 3.87Å; L476-H507 PolarHBondContact O-N 3.37Å; V477-H507 WeakPolarHBondContact CA-O 3.44Å; C478-H507 PolarHBondContact N-O 3.31Å
508S90.7Very high79.3Confident17 Ų1742.2 Ų42.212%0.11922%0.215CC..EExtended strand (participates in β ladder)trans-115.9132.3176.5178.90000110.1C478 F480 D510 F511C478-S508 CarbonylContact O-C 3.54Å; C478-S508 VanDerWaalsContact O-CA 3.27Å; C478-S508 WeakPolarHBondContact O-CA 3.42Å; F480-S508 WeakPolarHBondContact CD2-OG 3.44Å; F480-S508 VanDerWaalsContact CE2-CB 3.5Å; F480-S508 PolarHBondContact N-OG 3.38Å; S508-D510 PolarHBondContact OG-OD1 3.16Å; S508-F511 WeakPolarHBondContact CB-O 3.09Å; S508-F511 PolarHBondContact OG-O 2.83Å
509I88.2Confident77.9Confident35 Ų3541.4 Ų41.418%0.17921%0.21CC..SBendtrans-82.3-19.8-173.8-56.2172.2000111.8E367 Y368 V477 C478E367-I509 HydrophobicContact CB-CD1 4.24Å; E367-I509 HydrophobicContact CB-CG2 4.19Å; Y368-I509 HydrophobicContact CD1-CD1 3.28Å; Y368-I509 HydrophobicContact CD1-CG1 4.47Å; Y368-I509 HydrophobicContact CD2-CD1 3.66Å; Y368-I509 HydrophobicContact CE1-CD1 3.55Å; Y368-I509 HydrophobicContact CE2-CD1 3.92Å; Y368-I509 HydrophobicContact CG-CD1 3.32Å; V477-I509 HydrophobicContact CG1-CD1 4.24Å; V477-I509 HydrophobicContact CG1-CG1 4.43Å; C478-I509 PolarHBondContact O-N 3.49Å
510D82.8Confident76.5Confident39 Ų3942.1 Ų42.121%0.20921%0.21CC..SBendtrans-101-72.2-177.558.4-4.9000113.3T479 F480 S481 S508T479-D510 WeakPolarHBondContact CA-OD1 3.31Å; T479-D510 VanDerWaalsContact CB-OD2 3.27Å; T479-D510 WeakPolarHBondContact CB-OD2 3.48Å; T479-D510 HydrophobicContact CG2-CB 4.21Å; F480-D510 PolarHBondContact N-OD1 2.98Å; S481-D510 WeakPolarHBondContact CB-OD2 3.06Å; S481-D510 PolarHBondContact N-OD2 3.47Å; S481-D510 PolarHBondContact OG-OD2 2.91Å; S508-D510 PolarHBondContact OG-OD1 3.16Å
511F73.3Confident75.4Confident99 Ų9942.2 Ų42.243%0.43421%0.208SC..SBendtrans-121.7145.9-179.8-53.2-74.8000109.6F480 S508 E515F480-F511 WeakPolarHBondContact CD2-O 3.25Å; S508-F511 WeakPolarHBondContact CB-O 3.09Å; S508-F511 PolarHBondContact OG-O 2.83Å; F511-E515 WeakPolarHBondContact CD1-OE2 3.43Å
512A67.6Low74.9Confident60 Ų6045 Ų4550%0.49622%0.219SC..  trans-67147.2171.400000109.8H514 E515A512-H514 PolarHBondContact O-N 2.72Å; A512-E515 HydrophobicContact CB-CB 4.28Å; A512-E515 VanDerWaalsContact O-CB 3.27Å; A512-E515 WeakPolarHBondContact O-CB 3.48Å; A512-E515 PolarHBondContact O-N 2.9Å
513F63.8Low74.4Confident15 Ų1545.1 Ų45.17%0.06622%0.22CC..Hα-helixtrans-53.3-47.4179.8-167.5-89.3000110.8L289 V310 F480 R486 Y489 E490 E515L289-F513 HydrophobicContact CD1-CE1 3.85Å; L289-F513 HydrophobicContact CD1-CZ 4.34Å; L289-F513 HydrophobicContact CD2-CE1 3.63Å; L289-F513 HydrophobicContact CD2-CZ 3.71Å; L289-F513 HydrophobicContact CG-CE1 4.41Å; V310-F513 HydrophobicContact CB-CE1 4.19Å; V310-F513 HydrophobicContact CB-CZ 4.48Å; V310-F513 HydrophobicContact CG1-CE1 4.1Å; V310-F513 HydrophobicContact CG1-CZ 3.96Å; V310-F513 HydrophobicContact CG2-CD1 3.58Å; V310-F513 HydrophobicContact CG2-CE1 3.15Å; V310-F513 HydrophobicContact CG2-CZ 3.86Å; F480-F513 HydrophobicContact CD1-CD2 4.06Å; F480-F513 VanDerWaalsContact CD2-CA 3.41Å; F480-F513 HydrophobicContact CD2-CB 3.69Å; F480-F513 AromaticContact CD2-CD2 3.98Å; F480-F513 HydrophobicContact CD2-CD2 3.98Å; F480-F513 HydrophobicContact CD2-CG 4.33Å; F480-F513 VanDerWaalsContact CD2-N 3.27Å; F480-F513 AromaticContact CE1-CD2 3.81Å; F480-F513 HydrophobicContact CE1-CD2 3.81Å; F480-F513 HydrophobicContact CE2-CB 3.34Å; F480-F513 AromaticContact CE2-CD2 3.78Å; F480-F513 HydrophobicContact CE2-CD2 3.78Å; F480-F513 HydrophobicContact CE2-CG 4.04Å; F480-F513 HydrophobicContact CG-CD2 4.14Å; F480-F513 HydrophobicContact CZ-CB 3.96Å; F480-F513 AromaticContact CZ-CD2 3.65Å; F480-F513 HydrophobicContact CZ-CD2 3.65Å; F480-F513 HydrophobicContact CZ-CG 4.24Å; R486-F513 HydrophobicContact CB-CE2 4.25Å; R486-F513 HydrophobicContact CG-CE2 4.11Å; Y489-F513 AromaticContact CD1-CD2 3.36Å; Y489-F513 HydrophobicContact CD1-CD2 3.36Å; Y489-F513 AromaticContact CD1-CE2 3.41Å; Y489-F513 HydrophobicContact CD1-CE2 3.41Å; Y489-F513 VanDerWaalsContact CD1-CE2 3.41Å; Y489-F513 AromaticContact CD1-CG 3.96Å; Y489-F513 HydrophobicContact CD1-CG 3.96Å; Y489-F513 HydrophobicContact CD1-CZ 4.08Å; Y489-F513 HydrophobicContact CE1-CB 4.17Å; Y489-F513 HydrophobicContact CE1-CD1 4Å; Y489-F513 AromaticContact CE1-CD2 3.51Å; Y489-F513 HydrophobicContact CE1-CD2 3.51Å; Y489-F513 HydrophobicContact CE1-CE1 4.33Å; Y489-F513 AromaticContact CE1-CE2 3.82Å; Y489-F513 HydrophobicContact CE1-CE2 3.82Å; Y489-F513 AromaticContact CE1-CG 3.58Å; Y489-F513 HydrophobicContact CE1-CG 3.58Å; Y489-F513 HydrophobicContact CE1-CZ 4.19Å; E490-F513 HydrophobicContact CG-CZ 4.4Å; F513-E515 PolarHBondContact O-N 2.88Å
514H60Low74.3Confident37 Ų3746 Ų4617%0.17122%0.224CC..Hα-helixtrans-75.7-4.7-179.4-59.7-49.2000113.5A307 A512 E516 D517 Y518A307-H514 VanDerWaalsContact CB-CE1 3.46Å; A307-H514 WeakPolarHBondContact CB-CE1 3.35Å; A512-H514 PolarHBondContact O-N 2.72Å; H514-E516 PolarHBondContact O-N 2.74Å; H514-D517 HydrophobicContact CB-CB 4.3Å; H514-D517 IonicContact CE1-OD2 2.92Å; H514-D517 IonicContact CG-OD2 3.07Å; H514-D517 IonicContact ND1-OD2 3Å; H514-D517 PolarHBondContact ND1-OD2 3.31Å; H514-D517 CarbonylContact O-C 3.45Å; H514-D517 WeakPolarHBondContact O-CB 3.43Å; H514-D517 PolarHBondContact O-N 3.24Å; H514-Y518 HydrophobicContact CB-CD1 4.31Å; H514-Y518 HydrophobicContact CB-CD2 3.65Å; H514-Y518 HydrophobicContact CB-CE1 4.04Å; H514-Y518 HydrophobicContact CB-CE2 3.29Å; H514-Y518 HydrophobicContact CB-CG 4.16Å; H514-Y518 WeakPolarHBondContact O-CB 3.49Å; H514-Y518 WeakPolarHBondContact O-CD2 3.36Å; H514-Y518 PolarHBondContact O-N 3.18Å
515E59.9Low74.3Confident34 Ų3440.8 Ų40.816%0.15920%0.2CC..Hα-helixtrans-63.7-35.6179.2-161.9-171.1138.400111.4F511 A512 F513 K519F511-E515 WeakPolarHBondContact CD1-OE2 3.43Å; A512-E515 HydrophobicContact CB-CB 4.28Å; A512-E515 VanDerWaalsContact O-CB 3.27Å; A512-E515 WeakPolarHBondContact O-CB 3.48Å; A512-E515 PolarHBondContact O-N 2.9Å; F513-E515 PolarHBondContact O-N 2.88Å; E515-K519 VanDerWaalsContact O-CG 3.31Å; E515-K519 WeakPolarHBondContact O-CG 3.46Å; E515-K519 PolarHBondContact O-N 2.97Å; E515-K519 IonicContact OE1-NZ 2.9Å; E515-K519 PolarHBondContact OE1-NZ 2.03Å
516E54.8Low74Confident46 Ų4640.1 Ų40.122%0.21520%0.196CC..Hα-helixtrans-71-41.6172.2-67.3-172.9-171.700111.5R486 H514 Y518 K519 R520R486-E516 IonicContact NH1-OE1 3.22Å; R486-E516 PolarHBondContact NH1-OE1 3.28Å; R486-E516 IonicContact NH1-OE2 3.81Å; R486-E516 PolarHBondContact NH1-OE2 3.18Å; H514-E516 PolarHBondContact O-N 2.74Å; E516-Y518 PolarHBondContact O-N 2.76Å; E516-K519 PolarHBondContact O-N 3.29Å; E516-R520 WeakPolarHBondContact O-CD 3.41Å
517D54.5Low73.5Confident3 Ų340 Ų402%0.01619%0.194CC..Hα-helixtrans-57-49.8173.2-73.2-43.4000111.4L289 H514 K519 R520 L521L289-D517 VanDerWaalsContact CD1-CG 3.48Å; L289-D517 WeakPolarHBondContact CD1-OD1 3.03Å; H514-D517 HydrophobicContact CB-CB 4.3Å; H514-D517 IonicContact CE1-OD2 2.92Å; H514-D517 IonicContact CG-OD2 3.07Å; H514-D517 IonicContact ND1-OD2 3Å; H514-D517 PolarHBondContact ND1-OD2 3.31Å; H514-D517 CarbonylContact O-C 3.45Å; H514-D517 WeakPolarHBondContact O-CB 3.43Å; H514-D517 PolarHBondContact O-N 3.24Å; D517-K519 VanDerWaalsContact C-N 3.26Å; D517-K519 PolarHBondContact O-N 2.9Å; D517-R520 CarbonylContact O-C 3.43Å; D517-R520 WeakPolarHBondContact O-CA 3.2Å; D517-R520 WeakPolarHBondContact O-CB 3.44Å; D517-R520 PolarHBondContact O-N 3.08Å; D517-L521 HydrophobicContact CB-CD1 4.03Å; D517-L521 VanDerWaalsContact O-CG 3.28Å; D517-L521 WeakPolarHBondContact O-CG 3.34Å; D517-L521 PolarHBondContact O-N 3.27Å
518Y59.2Low73.2Confident60 Ų6040.2 Ų40.224%0.23520%0.202CC..Hα-helixtrans-66.6-26.7-174.7-69.6-33.9000112.4H514 E516 R520 L521 F523 P584H514-Y518 HydrophobicContact CB-CD1 4.31Å; H514-Y518 HydrophobicContact CB-CD2 3.65Å; H514-Y518 HydrophobicContact CB-CE1 4.04Å; H514-Y518 HydrophobicContact CB-CE2 3.29Å; H514-Y518 HydrophobicContact CB-CG 4.16Å; H514-Y518 WeakPolarHBondContact O-CB 3.49Å; H514-Y518 WeakPolarHBondContact O-CD2 3.36Å; H514-Y518 PolarHBondContact O-N 3.18Å; E516-Y518 PolarHBondContact O-N 2.76Å; Y518-R520 PolarHBondContact O-N 2.78Å; Y518-L521 HydrophobicContact CD1-CD1 4.25Å; Y518-F523 AromaticContact CD1-CE1 3.85Å; Y518-F523 HydrophobicContact CD1-CE1 3.85Å; Y518-F523 HydrophobicContact CD1-CE2 4.12Å; Y518-F523 AromaticContact CD1-CZ 3.18Å; Y518-F523 HydrophobicContact CD1-CZ 3.18Å; Y518-F523 HydrophobicContact CE1-CE1 4.1Å; Y518-F523 AromaticContact CE1-CZ 3.9Å; Y518-F523 HydrophobicContact CE1-CZ 3.9Å; Y518-F523 AromaticContact CG-CZ 3.66Å; Y518-F523 HydrophobicContact CG-CZ 3.66Å; Y518-F523 WeakPolarHBondContact O-CE2 3.04Å; Y518-P584 HydrophobicContact CE1-CB 4.24Å; Y518-P584 HydrophobicContact CE1-CG 4.23Å
519K60.6Low72.7Confident102 Ų10240.3 Ų40.344%0.44320%0.201SC..THydrogen-bonded Turntrans-66.4-18.8171.5-75.1167.1-172.2162.50112.5E515 E516 D517E515-K519 VanDerWaalsContact O-CG 3.31Å; E515-K519 WeakPolarHBondContact O-CG 3.46Å; E515-K519 PolarHBondContact O-N 2.97Å; E515-K519 IonicContact OE1-NZ 2.9Å; E515-K519 PolarHBondContact OE1-NZ 2.03Å; E516-K519 PolarHBondContact O-N 3.29Å; D517-K519 VanDerWaalsContact C-N 3.26Å; D517-K519 PolarHBondContact O-N 2.9Å
520R60Low72.3Confident56 Ų5648.2 Ų48.221%0.21123%0.234CC..THydrogen-bonded Turntrans-112.7-30.6-172.9-61.9159.6168.1-86.8-43.6113.3H286 N287 H291 E516 D517 Y518H286-R520 VanDerWaalsContact C-NH1 3.34Å; H286-R520 VanDerWaalsContact CA-NH1 3.33Å; N287-R520 VanDerWaalsContact CB-NE 3.29Å; N287-R520 PolarHBondContact ND2-NE 3.16Å; N287-R520 PolarHBondContact ND2-NH2 3.39Å; N287-R520 PolarHBondContact O-NH1 3.43Å; N287-R520 VanDerWaalsContact O-NH1 3.1Å; N287-R520 PolarHBondContact OD1-NH2 3.01Å; H291-R520 WeakPolarHBondContact CE1-CD 3.44Å; H291-R520 PolarHBondContact NE2-NH1 2.66Å; E516-R520 WeakPolarHBondContact O-CD 3.41Å; D517-R520 CarbonylContact O-C 3.43Å; D517-R520 WeakPolarHBondContact O-CA 3.2Å; D517-R520 WeakPolarHBondContact O-CB 3.44Å; D517-R520 PolarHBondContact O-N 3.08Å; Y518-R520 PolarHBondContact O-N 2.78Å
521L68.4Low72.1Confident9 Ų954.5 Ų54.55%0.04726%0.259CS..SBendtrans-70.5134.4176.5-68.1172.1000109Y309 D517 Y518 F523 P584Y309-L521 HydrophobicContact CE2-CD2 4Å; D517-L521 HydrophobicContact CB-CD1 4.03Å; D517-L521 VanDerWaalsContact O-CG 3.28Å; D517-L521 WeakPolarHBondContact O-CG 3.34Å; D517-L521 PolarHBondContact O-N 3.27Å; Y518-L521 HydrophobicContact CD1-CD1 4.25Å; L521-F523 HydrophobicContact CB-CE2 4.05Å; L521-F523 WeakPolarHBondContact O-CD2 3.41Å; L521-F523 VanDerWaalsContact O-CE2 3.3Å; L521-F523 WeakPolarHBondContact O-CE2 3.3Å; L521-P584 HydrophobicContact CD1-CB 3.94Å
522K79.2Confident72.1Confident83 Ų8350 Ų5036%0.36124%0.24SC..  trans-70.7152.8160.9-58.9-166.9-179.1-145.90108.5I539 V540 D541 R585K522-I539 HydrophobicContact CB-CG2 3.94Å; K522-I539 HydrophobicContact CD-CG2 3.97Å; K522-I539 HydrophobicContact CG-CG2 4.44Å; K522-V540 CarbonylContact C-O 3.08Å; K522-V540 VanDerWaalsContact CA-O 3.25Å; K522-V540 WeakPolarHBondContact CA-O 3.3Å; K522-D541 WeakPolarHBondContact CE-OD1 3.05Å; K522-D541 IonicContact NZ-OD1 3.81Å; K522-D541 PolarHBondContact NZ-OD1 3.14Å; K522-R585 HydrophobicContact CB-CB 4.34Å; K522-R585 WeakPolarHBondContact O-CA 3.49Å; K522-R585 WeakPolarHBondContact O-CB 3.14Å; K522-R585 PolarHBondContact O-N 3.34Å
523F84.4Confident72.8Confident4 Ų454.3 Ų54.32%0.01825%0.25CS..EExtended strand (participates in β ladder)trans-122.7142.9175.7-70-115.8000110.9Y518 L521 I539 V540 F543 F582 R583 P584Y518-F523 AromaticContact CD1-CE1 3.85Å; Y518-F523 HydrophobicContact CD1-CE1 3.85Å; Y518-F523 HydrophobicContact CD1-CE2 4.12Å; Y518-F523 AromaticContact CD1-CZ 3.18Å; Y518-F523 HydrophobicContact CD1-CZ 3.18Å; Y518-F523 HydrophobicContact CE1-CE1 4.1Å; Y518-F523 AromaticContact CE1-CZ 3.9Å; Y518-F523 HydrophobicContact CE1-CZ 3.9Å; Y518-F523 AromaticContact CG-CZ 3.66Å; Y518-F523 HydrophobicContact CG-CZ 3.66Å; Y518-F523 WeakPolarHBondContact O-CE2 3.04Å; L521-F523 HydrophobicContact CB-CE2 4.05Å; L521-F523 WeakPolarHBondContact O-CD2 3.41Å; L521-F523 VanDerWaalsContact O-CE2 3.3Å; L521-F523 WeakPolarHBondContact O-CE2 3.3Å; F523-I539 CarbonylContact O-C 3.57Å; F523-I539 WeakPolarHBondContact O-CA 3.44Å; F523-V540 HydrophobicContact CB-CB 4.11Å; F523-V540 PolarHBondContact N-O 2.05Å; F523-V540 PolarHBondContact O-N 3.42Å; F523-F543 HydrophobicContact CD1-CD2 4.16Å; F523-F543 HydrophobicContact CD1-CE2 4.36Å; F523-F543 HydrophobicContact CD1-CG 4.31Å; F523-F543 HydrophobicContact CD2-CB 3.54Å; F523-F543 HydrophobicContact CD2-CD1 4.47Å; F523-F543 HydrophobicContact CD2-CD2 4.28Å; F523-F543 AromaticContact CD2-CG 3.88Å; F523-F543 HydrophobicContact CD2-CG 3.88Å; F523-F543 AromaticContact CE1-CD1 3.93Å; F523-F543 HydrophobicContact CE1-CD1 3.93Å; F523-F543 HydrophobicContact CE1-CD2 4.19Å; F523-F543 AromaticContact CE1-CE1 3.97Å; F523-F543 HydrophobicContact CE1-CE1 3.97Å; F523-F543 HydrophobicContact CE1-CE2 4.26Å; F523-F543 HydrophobicContact CE1-CG 4.03Å; F523-F543 HydrophobicContact CE1-CZ 4.15Å; F523-F543 HydrophobicContact CE2-CB 3.41Å; F523-F543 VanDerWaalsContact CE2-CB 3.41Å; F523-F543 AromaticContact CE2-CD1 3.76Å; F523-F543 HydrophobicContact CE2-CD1 3.76Å; F523-F543 HydrophobicContact CE2-CD2 4.35Å; F523-F543 AromaticContact CE2-CG 3.6Å; F523-F543 HydrophobicContact CE2-CG 3.6Å; F523-F543 HydrophobicContact CG-CB 4.27Å; F523-F543 HydrophobicContact CG-CD2 4.18Å; F523-F543 HydrophobicContact CG-CG 4.22Å; F523-F543 HydrophobicContact CZ-CB 3.97Å; F523-F543 AromaticContact CZ-CD1 3.39Å; F523-F543 HydrophobicContact CZ-CD1 3.39Å; F523-F543 HydrophobicContact CZ-CD2 4.24Å; F523-F543 AromaticContact CZ-CE1 3.81Å; F523-F543 HydrophobicContact CZ-CE1 3.81Å; F523-F543 AromaticContact CZ-CG 3.61Å; F523-F543 HydrophobicContact CZ-CG 3.61Å; F523-F543 HydrophobicContact CZ-CZ 4.42Å; F523-F582 HydrophobicContact CB-CB 4.07Å; F523-F582 HydrophobicContact CB-CD1 4.49Å; F523-F582 HydrophobicContact CD1-CB 3.8Å; F523-F582 HydrophobicContact CG-CB 4.31Å; F523-R583 CarbonylContact C-O 3.54Å; F523-R583 VanDerWaalsContact CA-O 3.23Å; F523-R583 WeakPolarHBondContact CA-O 3.32Å; F523-R583 WeakPolarHBondContact CB-O 3.47Å; F523-P584 HydrophobicContact CD1-CB 4.2Å; F523-P584 VanDerWaalsContact CD1-N 3.3Å; F523-P584 HydrophobicContact CE1-CB 3.94Å; F523-P584 HydrophobicContact CE1-CG 4.44Å; F523-P584 HydrophobicContact CZ-CB 4.31Å
524D86.5Confident73.9Confident24 Ų2453.9 Ų53.913%0.12825%0.248CC..EExtended strand (participates in β ladder)trans-88.4134.2167.9-55.8-41.8000108.9I526 F582 R583 R585D524-I526 PolarHBondContact O-N 2.87Å; D524-F582 WeakPolarHBondContact O-CA 3.44Å; D524-R583 PolarHBondContact N-O 3.42Å; D524-R583 PolarHBondContact O-N 3.18Å; D524-R583 IonicContact OD2-CZ 3.89Å; D524-R583 IonicContact OD2-NE 3.77Å; D524-R583 IonicContact OD2-NH2 3.49Å; D524-R583 PolarHBondContact OD2-NH2 2.84Å; D524-R585 IonicContact OD1-NH1 2.81Å; D524-R585 PolarHBondContact OD1-NH1 2.95Å
525V87.8Confident75.3Confident1 Ų158.5 Ų58.51%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-71.3116165.9178.60000108.7I527 L534 K535 G537 D538 V540 F582V525-I527 VanDerWaalsContact CG1-O 3.29Å; V525-I527 WeakPolarHBondContact CG1-O 3.3Å; V525-L534 HydrophobicContact CG1-CB 4.19Å; V525-L534 HydrophobicContact CG2-CB 4.35Å; V525-K535 VanDerWaalsContact CB-O 3.25Å; V525-K535 WeakPolarHBondContact CB-O 3.34Å; V525-K535 WeakPolarHBondContact CG1-O 3.07Å; V525-G537 PolarHBondContact O-N 3.27Å; V525-D538 HydrophobicContact CB-CB 4.22Å; V525-D538 HydrophobicContact CG2-CB 3.85Å; V525-D538 PolarHBondContact N-O 3.47Å; V525-V540 HydrophobicContact CG2-CG2 4.17Å; V525-F582 HydrophobicContact CG2-CD1 3.97Å; V525-F582 HydrophobicContact CG2-CE1 3.7Å
526I86.4Confident76.6Confident30 Ų3064.9 Ų64.915%0.15429%0.292CS..  trans-103.6-14.4179.457163.3000112.7L10 D524 Y536 K581 R583L10-I526 HydrophobicContact CD1-CD1 4.48Å; L10-I526 HydrophobicContact CD2-CD1 3.7Å; D524-I526 PolarHBondContact O-N 2.87Å; I526-Y536 WeakPolarHBondContact O-CD2 3.08Å; I526-Y536 WeakPolarHBondContact O-CE2 3.32Å; I526-K581 WeakPolarHBondContact CG1-O 3.38Å; I526-K581 PolarHBondContact N-O 2.9Å; I526-R583 HydrophobicContact CD1-CB 4.34Å; I526-R583 HydrophobicContact CG2-CB 3.77Å
527I84Confident78.1Confident18 Ų1864.7 Ų64.79%0.09230%0.303CS..SBendtrans-134.5122.2174.6-62.9173.8000107.8W58 V525 Y580 K581W58-I527 HydrophobicContact CZ2-CD1 4.5Å; W58-I527 HydrophobicContact CZ2-CG2 4.25Å; V525-I527 VanDerWaalsContact CG1-O 3.29Å; V525-I527 WeakPolarHBondContact CG1-O 3.3Å; I527-Y580 HydrophobicContact CD1-CD2 3.83Å; I527-Y580 HydrophobicContact CD1-CE2 3.77Å; I527-K581 HydrophobicContact CB-CB 4.16Å; I527-K581 HydrophobicContact CB-CG 4.03Å; I527-K581 HydrophobicContact CG2-CD 4.33Å; I527-K581 HydrophobicContact CG2-CG 4.21Å; I527-K581 PolarHBondContact N-O 2.77Å
528P84.8Confident79.8Confident73 Ų7366.6 Ų66.647%0.47431%0.313SS..  trans-65.1151.5-179.227.1-34.3000111.9L534P528-L534 CarbonylContact C-O 3.55Å; P528-L534 VanDerWaalsContact CA-O 3.27Å; P528-L534 WeakPolarHBondContact CA-O 3.49Å; P528-L534 WeakPolarHBondContact CB-O 3.33Å
529D81.1Confident81.2Confident19 Ų1965.8 Ų65.810%0.10231%0.312CS..BIsolated β-bridgetrans-129.3113.4175.6-170.486.9000109.9K531 G532 H533 L534 K581D529-K531 VanDerWaalsContact C-N 3.31Å; D529-K531 PolarHBondContact O-N 3.21Å; D529-K531 WeakPolarHBondContact OD2-CA 3.44Å; D529-K531 WeakPolarHBondContact OD2-CB 3.35Å; D529-K531 PolarHBondContact OD2-N 3.27Å; D529-G532 PolarHBondContact OD2-N 2.92Å; D529-H533 PolarHBondContact O-N 2.86Å; D529-H533 VanDerWaalsContact O-N 3.15Å; D529-L534 HydrophobicContact CB-CB 4.04Å; D529-L534 HydrophobicContact CB-CD1 4.05Å; D529-L534 HydrophobicContact CB-CG 4.21Å; D529-L534 PolarHBondContact N-O 2.92Å; D529-L534 PolarHBondContact O-N 3.21Å; D529-K581 HydrophobicContact CB-CD 4.07Å; D529-K581 IonicContact OD1-NZ 3.03Å; D529-K581 PolarHBondContact OD1-NZ 3.29Å
530K80Confident82.4Confident201 Ų20160.9 Ų60.987%0.87429%0.291SS*.THydrogen-bonded Turntrans-68.2-31.8-178.1-69.8-175.4177.8-179.10112.4
531K77.5Confident83.4Confident170 Ų17061.4 Ų61.474%0.73930%0.298SS*.THydrogen-bonded Turntrans-76.5-38.5-173.9-174.6178.4-179175.90111.8D529D529-K531 VanDerWaalsContact C-N 3.31Å; D529-K531 PolarHBondContact O-N 3.21Å; D529-K531 WeakPolarHBondContact OD2-CA 3.44Å; D529-K531 WeakPolarHBondContact OD2-CB 3.35Å; D529-K531 PolarHBondContact OD2-N 3.27Å
532G73.1Confident84Confident4 Ų463.6 Ų63.64%0.04131%0.312CS..THydrogen-bonded Turntrans-93.310.1174.200000113.9D529 L534D529-G532 PolarHBondContact OD2-N 2.92Å; G532-L534 WeakPolarHBondContact O-CD2 3.32Å; G532-L534 WeakPolarHBondContact O-CG 3.48Å; G532-L534 PolarHBondContact O-N 2.85Å; G532-L534 VanDerWaalsContact O-N 3.15Å
533H83.2Confident84.1Confident152 Ų15260 Ų6070%0.70430%0.296SS*.THydrogen-bonded Turntrans52.633-179-58.4-72.8000114.8D529D529-H533 PolarHBondContact O-N 2.86Å; D529-H533 VanDerWaalsContact O-N 3.15Å
534L86.3Confident84Confident5 Ų564.7 Ų64.73%0.02632%0.316CS..BIsolated β-bridgetrans-91126.9-178.1-53.6178.7000111.2V525 P528 D529 G532 V553 L555 V577 F582V525-L534 HydrophobicContact CG1-CB 4.19Å; V525-L534 HydrophobicContact CG2-CB 4.35Å; P528-L534 CarbonylContact C-O 3.55Å; P528-L534 VanDerWaalsContact CA-O 3.27Å; P528-L534 WeakPolarHBondContact CA-O 3.49Å; P528-L534 WeakPolarHBondContact CB-O 3.33Å; D529-L534 HydrophobicContact CB-CB 4.04Å; D529-L534 HydrophobicContact CB-CD1 4.05Å; D529-L534 HydrophobicContact CB-CG 4.21Å; D529-L534 PolarHBondContact N-O 2.92Å; D529-L534 PolarHBondContact O-N 3.21Å; G532-L534 WeakPolarHBondContact O-CD2 3.32Å; G532-L534 WeakPolarHBondContact O-CG 3.48Å; G532-L534 PolarHBondContact O-N 2.85Å; G532-L534 VanDerWaalsContact O-N 3.15Å; L534-V553 HydrophobicContact CD1-CG2 4.41Å; L534-L555 HydrophobicContact CD2-CD1 3.81Å; L534-L555 HydrophobicContact CD2-CD2 3.85Å; L534-L555 HydrophobicContact CD2-CG 3.84Å; L534-V577 HydrophobicContact CD1-CG1 4.26Å; L534-V577 HydrophobicContact CD1-CG2 3.99Å; L534-F582 HydrophobicContact CD1-CE1 3.89Å; L534-F582 HydrophobicContact CD1-CZ 3.54Å
535K89.2Confident83.5Confident134 Ų13466.2 Ų66.258%0.58332%0.324SS*.PPolyproline II helixtrans-102155.2175.6-60.4171.4-173.2163.50110.9V525 G537 D538V525-K535 VanDerWaalsContact CB-O 3.25Å; V525-K535 WeakPolarHBondContact CB-O 3.34Å; V525-K535 WeakPolarHBondContact CG1-O 3.07Å; K535-G537 PolarHBondContact O-N 3.22Å; K535-D538 WeakPolarHBondContact CB-OD2 3.3Å; K535-D538 PolarHBondContact N-OD2 2.81Å; K535-D538 WeakPolarHBondContact O-CB 3.47Å; K535-D538 PolarHBondContact O-N 2.87Å
536Y88Confident82.7Confident168 Ų16869.7 Ų69.766%0.65934%0.341SS*.THydrogen-bonded Turntrans-60.9127.6173.5-178.8-86.8000110.4I526I526-Y536 WeakPolarHBondContact O-CD2 3.08Å; I526-Y536 WeakPolarHBondContact O-CE2 3.32Å
537G86.1Confident81.8Confident43 Ų4371.4 Ų71.444%0.44337%0.366SS..THydrogen-bonded Turntrans92.7-6.8-179.100000115.1V525 K535V525-G537 PolarHBondContact O-N 3.27Å; K535-G537 PolarHBondContact O-N 3.22Å
538D89.9Confident81Confident43 Ų4373 Ų7323%0.2337%0.374CS..PPolyproline II helixtrans-60.1146.8172.9-70.3-9000110.8V525 K535 L555V525-D538 HydrophobicContact CB-CB 4.22Å; V525-D538 HydrophobicContact CG2-CB 3.85Å; V525-D538 PolarHBondContact N-O 3.47Å; K535-D538 WeakPolarHBondContact CB-OD2 3.3Å; K535-D538 PolarHBondContact N-OD2 2.81Å; K535-D538 WeakPolarHBondContact O-CB 3.47Å; K535-D538 PolarHBondContact O-N 2.87Å; D538-L555 HydrophobicContact CB-CD2 3.75Å
539I88Confident80.1Confident42 Ų4270 Ų7022%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-102.7122.5-179.6-57.5171.2000109K522 F523 N556K522-I539 HydrophobicContact CB-CG2 3.94Å; K522-I539 HydrophobicContact CD-CG2 3.97Å; K522-I539 HydrophobicContact CG-CG2 4.44Å; F523-I539 CarbonylContact O-C 3.57Å; F523-I539 WeakPolarHBondContact O-CA 3.44Å; I539-N556 HydrophobicContact CB-CB 4.25Å; I539-N556 HydrophobicContact CG2-CB 4.19Å; I539-N556 WeakPolarHBondContact O-CB 3.45Å; I539-N556 PolarHBondContact O-N 3.05Å
540V86.7Confident80Confident0 Ų071.7 Ų71.70%037%0.366CS..EExtended strand (participates in β ladder)trans-91125.9171.3171.40000109.2K522 F523 V525 T542 F543 V553 K554 L555 F582K522-V540 CarbonylContact C-O 3.08Å; K522-V540 VanDerWaalsContact CA-O 3.25Å; K522-V540 WeakPolarHBondContact CA-O 3.3Å; F523-V540 HydrophobicContact CB-CB 4.11Å; F523-V540 PolarHBondContact N-O 2.05Å; F523-V540 PolarHBondContact O-N 3.42Å; V525-V540 HydrophobicContact CG2-CG2 4.17Å; V540-T542 WeakPolarHBondContact CG1-O 3.28Å; V540-F543 HydrophobicContact CG1-CB 4.15Å; V540-V553 HydrophobicContact CG1-CB 3.85Å; V540-V553 HydrophobicContact CG1-CG1 4.15Å; V540-V553 HydrophobicContact CG2-CB 4.28Å; V540-K554 CarbonylContact C-O 3.49Å; V540-K554 WeakPolarHBondContact CA-O 3.17Å; V540-K554 WeakPolarHBondContact CG1-O 3.45Å; V540-L555 HydrophobicContact CG2-CD2 4.09Å; V540-F582 HydrophobicContact CG2-CD1 3.68Å; V540-F582 HydrophobicContact CG2-CE1 3.44Å; V540-F582 VanDerWaalsContact CG2-CE1 3.44Å
541D81.6Confident80Confident66 Ų6662.1 Ų62.135%0.35332%0.324SS..EExtended strand (participates in β ladder)trans-91.9-32.8-179.6-148.949.6000111.9K522 K554 N556K522-D541 WeakPolarHBondContact CE-OD1 3.05Å; K522-D541 IonicContact NZ-OD1 3.81Å; K522-D541 PolarHBondContact NZ-OD1 3.14Å; D541-K554 PolarHBondContact N-O 3Å; D541-N556 HydrophobicContact CB-CB 4.06Å
542T81Confident80.4Confident56 Ų5654.6 Ų54.634%0.34429%0.293SS..EExtended strand (participates in β ladder)trans-121.1124.2174.2-50.20000109.6V540 V553 K554 L574V540-T542 WeakPolarHBondContact CG1-O 3.28Å; T542-V553 CarbonylContact O-C 3.58Å; T542-V553 VanDerWaalsContact O-CA 3.23Å; T542-V553 WeakPolarHBondContact O-CA 3.37Å; T542-K554 PolarHBondContact N-O 3.07Å; T542-K554 PolarHBondContact O-N 3.29Å; T542-L574 HydrophobicContact CG2-CD2 4.09Å
543F81.1Confident81.1Confident8 Ų854.4 Ų54.44%0.03529%0.291CS..EExtended strand (participates in β ladder)trans-129.2124.4174.6-179.2-85.7000109.8F523 V540 N545 A551 V553 A579 F582F523-F543 HydrophobicContact CD1-CD2 4.16Å; F523-F543 HydrophobicContact CD1-CE2 4.36Å; F523-F543 HydrophobicContact CD1-CG 4.31Å; F523-F543 HydrophobicContact CD2-CB 3.54Å; F523-F543 HydrophobicContact CD2-CD1 4.47Å; F523-F543 HydrophobicContact CD2-CD2 4.28Å; F523-F543 AromaticContact CD2-CG 3.88Å; F523-F543 HydrophobicContact CD2-CG 3.88Å; F523-F543 AromaticContact CE1-CD1 3.93Å; F523-F543 HydrophobicContact CE1-CD1 3.93Å; F523-F543 HydrophobicContact CE1-CD2 4.19Å; F523-F543 AromaticContact CE1-CE1 3.97Å; F523-F543 HydrophobicContact CE1-CE1 3.97Å; F523-F543 HydrophobicContact CE1-CE2 4.26Å; F523-F543 HydrophobicContact CE1-CG 4.03Å; F523-F543 HydrophobicContact CE1-CZ 4.15Å; F523-F543 HydrophobicContact CE2-CB 3.41Å; F523-F543 VanDerWaalsContact CE2-CB 3.41Å; F523-F543 AromaticContact CE2-CD1 3.76Å; F523-F543 HydrophobicContact CE2-CD1 3.76Å; F523-F543 HydrophobicContact CE2-CD2 4.35Å; F523-F543 AromaticContact CE2-CG 3.6Å; F523-F543 HydrophobicContact CE2-CG 3.6Å; F523-F543 HydrophobicContact CG-CB 4.27Å; F523-F543 HydrophobicContact CG-CD2 4.18Å; F523-F543 HydrophobicContact CG-CG 4.22Å; F523-F543 HydrophobicContact CZ-CB 3.97Å; F523-F543 AromaticContact CZ-CD1 3.39Å; F523-F543 HydrophobicContact CZ-CD1 3.39Å; F523-F543 HydrophobicContact CZ-CD2 4.24Å; F523-F543 AromaticContact CZ-CE1 3.81Å; F523-F543 HydrophobicContact CZ-CE1 3.81Å; F523-F543 AromaticContact CZ-CG 3.61Å; F523-F543 HydrophobicContact CZ-CG 3.61Å; F523-F543 HydrophobicContact CZ-CZ 4.42Å; V540-F543 HydrophobicContact CG1-CB 4.15Å; F543-N545 HydrophobicContact CE1-CB 3.92Å; F543-A551 HydrophobicContact CD2-CB 4.09Å; F543-A551 HydrophobicContact CE1-CB 4.35Å; F543-A551 HydrophobicContact CE2-CB 3.47Å; F543-A551 VanDerWaalsContact CE2-CB 3.47Å; F543-A551 HydrophobicContact CZ-CB 3.63Å; F543-V553 HydrophobicContact CD2-CG1 3.71Å; F543-V553 HydrophobicContact CE2-CG1 4.27Å; F543-A579 HydrophobicContact CZ-CB 4.29Å; F543-F582 HydrophobicContact CD2-CB 4.22Å; F543-F582 HydrophobicContact CD2-CD2 4.21Å; F543-F582 HydrophobicContact CD2-CG 4.1Å; F543-F582 HydrophobicContact CE2-CB 3.79Å; F543-F582 AromaticContact CE2-CD2 3.6Å; F543-F582 HydrophobicContact CE2-CD2 3.6Å; F543-F582 HydrophobicContact CE2-CE2 4.37Å; F543-F582 AromaticContact CE2-CG 3.79Å; F543-F582 HydrophobicContact CE2-CG 3.79Å
544K80.7Confident81.3Confident101 Ų10150.2 Ų50.244%0.43927%0.27SS..EExtended strand (participates in β ladder)trans-125110.5174.4-179.8-178.5178.5-179.10109.5A551 S552K544-A551 CarbonylContact O-C 3.55Å; K544-A551 WeakPolarHBondContact O-CA 3.5Å; K544-A551 WeakPolarHBondContact O-CB 3.27Å; K544-S552 PolarHBondContact N-O 3.36Å; K544-S552 PolarHBondContact O-N 3.08Å
545N76Confident81.2Confident56 Ų5652.2 Ų52.230%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-74.5135.2172.6-165.3-20.2000109.9F543 G547F543-N545 HydrophobicContact CE1-CB 3.92Å; N545-G547 PolarHBondContact OD1-N 2.91Å
546H72.5Confident80.7Confident75 Ų7547.5 Ų47.535%0.34726%0.262SS..  trans-98.20.1177.6-64.3-79.4000113.4N548 L550 S552H546-N548 VanDerWaalsContact CB-OD1 3.28Å; H546-N548 WeakPolarHBondContact CB-OD1 3.46Å; H546-N548 PolarHBondContact O-N 3.2Å; H546-N548 VanDerWaalsContact O-N 3.16Å; H546-L550 PolarHBondContact CD2-O 3.06Å; H546-L550 PolarHBondContact N-O 2.95Å; H546-S552 PolarHBondContact CE1-OG 3.22Å; H546-S552 PolarHBondContact NE2-N 3.29Å; H546-S552 PolarHBondContact NE2-OG 3.31Å
547G66.1Low79.6Confident66 Ų6644.8 Ų44.868%0.6826%0.256SS*.SBendtrans71.25-179.300000114.4N545N545-G547 PolarHBondContact OD1-N 2.91Å
548N67.7Low78Confident51 Ų5147.2 Ų47.227%0.27327%0.266SS..SBendtrans-121.514.4-170.373.9-4.5000112.3P17 V21 H546 L550P17-N548 CarbonylContact O-C 3.58Å; V21-N548 HydrophobicContact CG2-CB 3.47Å; V21-N548 VanDerWaalsContact CG2-CB 3.47Å; V21-N548 WeakPolarHBondContact CG2-O 3.15Å; H546-N548 VanDerWaalsContact CB-OD1 3.28Å; H546-N548 WeakPolarHBondContact CB-OD1 3.46Å; H546-N548 PolarHBondContact O-N 3.2Å; H546-N548 VanDerWaalsContact O-N 3.16Å; N548-L550 VanDerWaalsContact C-N 3.34Å; N548-L550 WeakPolarHBondContact OD1-CB 3.49Å; N548-L550 PolarHBondContact OD1-N 3.01Å
549G66.6Low75.6Confident11 Ų1149.7 Ų49.711%0.11329%0.286CS..SBendtrans89.6-9.7-176.300000114.9P17 A579P17-G549 VanDerWaalsContact CB-CA 3.49Å; P17-G549 VanDerWaalsContact CB-N 3.29Å; G549-A579 PolarHBondContact O-N 3.35Å
550L78.9Confident73.2Confident54 Ų5455.7 Ų55.728%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-105.4155176.3-56.6173.3000111.5H546 N548 I576 V577H546-L550 PolarHBondContact CD2-O 3.06Å; H546-L550 PolarHBondContact N-O 2.95Å; N548-L550 VanDerWaalsContact C-N 3.34Å; N548-L550 WeakPolarHBondContact OD1-CB 3.49Å; N548-L550 PolarHBondContact OD1-N 3.01Å; L550-I576 HydrophobicContact CB-CG2 3.96Å; L550-I576 HydrophobicContact CD1-CG2 3.89Å; L550-I576 HydrophobicContact CD2-CG2 4.47Å; L550-I576 HydrophobicContact CG-CG2 4.33Å; L550-V577 CarbonylContact C-O 3.44Å; L550-V577 WeakPolarHBondContact CA-O 3.38Å
551A80.1Confident70.6Confident0 Ų065.8 Ų65.80%036%0.357CS..EExtended strand (participates in β ladder)trans-133.2143.4171.100000110.5F543 K544 V553 I576 V577 A579F543-A551 HydrophobicContact CD2-CB 4.09Å; F543-A551 HydrophobicContact CE1-CB 4.35Å; F543-A551 HydrophobicContact CE2-CB 3.47Å; F543-A551 VanDerWaalsContact CE2-CB 3.47Å; F543-A551 HydrophobicContact CZ-CB 3.63Å; K544-A551 CarbonylContact O-C 3.55Å; K544-A551 WeakPolarHBondContact O-CA 3.5Å; K544-A551 WeakPolarHBondContact O-CB 3.27Å; A551-V553 HydrophobicContact CB-CG1 4.2Å; A551-I576 WeakPolarHBondContact O-CA 3.13Å; A551-V577 PolarHBondContact N-O 2.83Å; A551-V577 PolarHBondContact O-N 2.59Å; A551-A579 HydrophobicContact CB-CB 3.83Å
552S86.2Confident68.3Low11 Ų1171.6 Ų71.68%0.07738%0.38CS..EExtended strand (participates in β ladder)trans-88.3125165.8-76.50000109.2K544 H546 F575K544-S552 PolarHBondContact N-O 3.36Å; K544-S552 PolarHBondContact O-N 3.08Å; H546-S552 PolarHBondContact CE1-OG 3.22Å; H546-S552 PolarHBondContact NE2-N 3.29Å; H546-S552 PolarHBondContact NE2-OG 3.31Å; S552-F575 CarbonylContact C-O 3.59Å; S552-F575 VanDerWaalsContact CA-O 3.32Å; S552-F575 WeakPolarHBondContact CA-O 3.44Å
553V87.3Confident65.8Low0 Ų078.2 Ų78.20%041%0.406CS..EExtended strand (participates in β ladder)trans-129146.8-174.2-57.50000113.6L534 V540 T542 F543 A551 F575 V577 F582L534-V553 HydrophobicContact CD1-CG2 4.41Å; V540-V553 HydrophobicContact CG1-CB 3.85Å; V540-V553 HydrophobicContact CG1-CG1 4.15Å; V540-V553 HydrophobicContact CG2-CB 4.28Å; T542-V553 CarbonylContact O-C 3.58Å; T542-V553 VanDerWaalsContact O-CA 3.23Å; T542-V553 WeakPolarHBondContact O-CA 3.37Å; F543-V553 HydrophobicContact CD2-CG1 3.71Å; F543-V553 HydrophobicContact CE2-CG1 4.27Å; A551-V553 HydrophobicContact CB-CG1 4.2Å; V553-F575 HydrophobicContact CG2-CB 4.19Å; V553-F575 PolarHBondContact N-O 3.17Å; V553-F575 PolarHBondContact O-N 3.03Å; V553-V577 HydrophobicContact CG1-CG2 4.33Å; V553-V577 HydrophobicContact CG2-CG2 3.77Å; V553-F582 HydrophobicContact CB-CE1 4.41Å; V553-F582 HydrophobicContact CB-CZ 4.16Å; V553-F582 HydrophobicContact CG1-CD2 4.38Å; V553-F582 HydrophobicContact CG1-CE1 3.98Å; V553-F582 HydrophobicContact CG1-CE2 3.79Å; V553-F582 HydrophobicContact CG1-CZ 3.57Å; V553-F582 HydrophobicContact CG2-CE1 4.32Å; V553-F582 HydrophobicContact CG2-CZ 3.84Å
554K87.9Confident63.5Low64 Ų6483 Ų8328%0.27844%0.441SS..EExtended strand (participates in β ladder)trans-126.9126.6170.4-173.5175.6179.8170.50109.8V540 D541 T542 N572 L574V540-K554 CarbonylContact C-O 3.49Å; V540-K554 WeakPolarHBondContact CA-O 3.17Å; V540-K554 WeakPolarHBondContact CG1-O 3.45Å; D541-K554 PolarHBondContact N-O 3Å; T542-K554 PolarHBondContact N-O 3.07Å; T542-K554 PolarHBondContact O-N 3.29Å; K554-N572 PolarHBondContact NZ-OD1 3.02Å; K554-L574 HydrophobicContact CB-CD2 4.11Å
555L84.3Confident61.2Low48 Ų4885.7 Ų85.725%0.25146%0.46SS..EExtended strand (participates in β ladder)trans-71.9147.1176.5-74.8177.3000111.8L534 D538 V540 Q557L534-L555 HydrophobicContact CD2-CD1 3.81Å; L534-L555 HydrophobicContact CD2-CD2 3.85Å; L534-L555 HydrophobicContact CD2-CG 3.84Å; D538-L555 HydrophobicContact CB-CD2 3.75Å; V540-L555 HydrophobicContact CG2-CD2 4.09Å; L555-Q557 PolarHBondContact O-N 2.82Å
556N77.7Confident59Low35 Ų3590.3 Ų90.319%0.18749%0.485CS..  trans-75.5111.1172.4-176.911.5000110I539 D541 S558I539-N556 HydrophobicContact CB-CB 4.25Å; I539-N556 HydrophobicContact CG2-CB 4.19Å; I539-N556 WeakPolarHBondContact O-CB 3.45Å; I539-N556 PolarHBondContact O-N 3.05Å; D541-N556 HydrophobicContact CB-CB 4.06Å; N556-S558 VanDerWaalsContact CG-OG 3.31Å; N556-S558 PolarHBondContact ND2-OG 3.16Å; N556-S558 PolarHBondContact O-N 3.25Å; N556-S558 WeakPolarHBondContact OD1-CB 3.48Å; N556-S558 PolarHBondContact OD1-N 3.37Å; N556-S558 PolarHBondContact OD1-OG 3.2Å; N556-S558 VanDerWaalsContact OD1-OG 3.07Å
557Q64.6Low57Low111 Ų11193.6 Ų93.652%0.51950%0.501SS..  trans-76.42-177.1-70.1173.7-14.300114.1L555 S559L555-Q557 PolarHBondContact O-N 2.82Å; Q557-S559 PolarHBondContact O-N 2.72Å
558S52.4Low55.2Low94 Ų9499.6 Ų99.666%0.65751%0.513SS*.THydrogen-bonded Turntrans-75.28.2-174.5720000115.4N556N556-S558 VanDerWaalsContact CG-OG 3.31Å; N556-S558 PolarHBondContact ND2-OG 3.16Å; N556-S558 PolarHBondContact O-N 3.25Å; N556-S558 WeakPolarHBondContact OD1-CB 3.48Å; N556-S558 PolarHBondContact OD1-N 3.37Å; N556-S558 PolarHBondContact OD1-OG 3.2Å; N556-S558 VanDerWaalsContact OD1-OG 3.07Å
559S40.2Very low53.7Low95 Ų95105.3 Ų105.366%0.66453%0.532SS*.THydrogen-bonded Turntrans-111.3-10.6-177.1-50.60000115.1Q557Q557-S559 PolarHBondContact O-N 2.72Å
560E38.6Very low52.3Low168 Ų168111.1 Ų111.179%0.78556%0.558SS**  trans-127.861.9-174.9-71.2-175.1166.600111.9
561K31.8Very low50.7Low212 Ų212114.8 Ų114.892%0.92257%0.574SS**  trans-103.468.9153.3-84.5-172.1177.2179.90109.1
562K32.3Very low49.3Very low188 Ų188121.2 Ų121.282%0.81761%0.608SS**SBendtrans-142.1102.5161.2-79.1-166.2176.7-177.90109.3
563E29.4Very low48.3Very low194 Ų194126.5 Ų126.591%0.90763%0.631SS**  trans44.589.3146.3-65.1173.2160.100117.3
564S33.1Very low47.8Very low110 Ų110130.7 Ų130.777%0.76965%0.654SS**  trans-157.7117.6134.450.50000110.3
565N31.6Very low47.6Very low156 Ų156131.1 Ų131.183%0.83466%0.655SS**  trans-65.2136.2164.8-73-29.8000108.1
566N30.2Very low47.6Very low153 Ų153134.1 Ų134.182%0.81867%0.67SS**  trans95.364.7176.2-54.3-20.9000117.1
567Q29.8Very low48Very low145 Ų145132.7 Ų132.768%0.67866%0.663SS**  trans-165.5120.1136.5-109.4152.9-7.400109.8Y569Q567-Y569 VanDerWaalsContact C-N 3.28Å; Q567-Y569 HydrophobicContact CB-CD2 3.87Å; Q567-Y569 HydrophobicContact CB-CE2 3.48Å; Q567-Y569 VanDerWaalsContact CB-CE2 3.48Å; Q567-Y569 VanDerWaalsContact O-CD2 3.28Å; Q567-Y569 WeakPolarHBondContact O-CD2 3.43Å; Q567-Y569 PolarHBondContact O-N 2.83Å; Q567-Y569 PolarHBondContact OE1-OH 2.8Å
568M28.2Very low48.8Very low192 Ų192128.8 Ų128.895%0.94665%0.647SS**  trans-67.385.6172.4-170.4176.684.600108.1
569Y35.7Very low50.1Low170 Ų170125.1 Ų125.167%0.66762%0.623SS**  trans-74126.4177.2-80.3-83.5000109.7Q567 E571Q567-Y569 VanDerWaalsContact C-N 3.28Å; Q567-Y569 HydrophobicContact CB-CD2 3.87Å; Q567-Y569 HydrophobicContact CB-CE2 3.48Å; Q567-Y569 VanDerWaalsContact CB-CE2 3.48Å; Q567-Y569 VanDerWaalsContact O-CD2 3.28Å; Q567-Y569 WeakPolarHBondContact O-CD2 3.43Å; Q567-Y569 PolarHBondContact O-N 2.83Å; Q567-Y569 PolarHBondContact OE1-OH 2.8Å; Y569-E571 PolarHBondContact O-N 3.42Å
570M38.8Very low51.6Low134 Ų134123.3 Ų123.366%0.6660%0.602SS**  trans-56.994.5178.1-67.1-113.4-76.800111N572 E573M570-N572 PolarHBondContact O-N 2.58Å; M570-E573 VanDerWaalsContact CE-OE2 3.23Å; M570-E573 WeakPolarHBondContact CE-OE2 3.12Å
571E43.8Very low53.8Low131 Ų131116.1 Ų116.161%0.61257%0.568SS**  trans-821.4-160.6-115.2175.5-174.900116.2Y569Y569-E571 PolarHBondContact O-N 3.42Å
572N51.2Low56.2Low134 Ų134106.7 Ų106.772%0.71753%0.527SS*.SBendtrans-142.24.4-171.1-86.6-34.8000118.3K554 M570K554-N572 PolarHBondContact NZ-OD1 3.02Å; M570-N572 PolarHBondContact O-N 2.58Å
573E64.5Low58.5Low122 Ų122101.3 Ų101.357%0.5750%0.501SS*.PPolyproline II helixtrans-91.3132.3-178.1-69.4-168.9159.300112.9M570 F575M570-E573 VanDerWaalsContact CE-OE2 3.23Å; M570-E573 WeakPolarHBondContact CE-OE2 3.12Å; E573-F575 PolarHBondContact O-N 2.86Å
574L78.1Confident60.8Low89 Ų8993.8 Ų93.847%0.46647%0.469SS..PPolyproline II helixtrans-70.7121.4168.1-78.6161.7000109T542 K554T542-L574 HydrophobicContact CG2-CD2 4.09Å; K554-L574 HydrophobicContact CB-CD2 4.11Å
575F83.1Confident62.8Low72 Ų7293.1 Ų93.132%0.31645%0.45SS..EExtended strand (participates in β ladder)trans-81.3131.9175.4-58.4-83.1000110.1S552 V553 E573 V577S552-F575 CarbonylContact C-O 3.59Å; S552-F575 VanDerWaalsContact CA-O 3.32Å; S552-F575 WeakPolarHBondContact CA-O 3.44Å; V553-F575 HydrophobicContact CG2-CB 4.19Å; V553-F575 PolarHBondContact N-O 3.17Å; V553-F575 PolarHBondContact O-N 3.03Å; E573-F575 PolarHBondContact O-N 2.86Å; F575-V577 HydrophobicContact CB-CG1 4.38Å
576I85.2Confident64.4Low111 Ų11187.5 Ų87.557%0.56942%0.42SS*.EExtended strand (participates in β ladder)trans-89.1116.5171.8-58.9176.6000108.4L550 A551L550-I576 HydrophobicContact CB-CG2 3.96Å; L550-I576 HydrophobicContact CD1-CG2 3.89Å; L550-I576 HydrophobicContact CD2-CG2 4.47Å; L550-I576 HydrophobicContact CG-CG2 4.33Å; A551-I576 WeakPolarHBondContact O-CA 3.13Å
577V84.4Confident65.6Low6 Ų685 Ų854%0.03641%0.406CS..EExtended strand (participates in β ladder)trans-141.3165.3179.3-60.60000111L534 L550 A551 V553 F575 A579 F582L534-V577 HydrophobicContact CD1-CG1 4.26Å; L534-V577 HydrophobicContact CD1-CG2 3.99Å; L550-V577 CarbonylContact C-O 3.44Å; L550-V577 WeakPolarHBondContact CA-O 3.38Å; A551-V577 PolarHBondContact N-O 2.83Å; A551-V577 PolarHBondContact O-N 2.59Å; V553-V577 HydrophobicContact CG1-CG2 4.33Å; V553-V577 HydrophobicContact CG2-CG2 3.77Å; F575-V577 HydrophobicContact CB-CG1 4.38Å; V577-A579 PolarHBondContact O-N 3.31Å; V577-F582 HydrophobicContact CG2-CE2 3.3Å; V577-F582 HydrophobicContact CG2-CZ 3.27Å
578P82.9Confident66.7Low28 Ų2882.1 Ų82.118%0.18239%0.394CS..EExtended strand (participates in β ladder)trans-62.8127.5-179.6-24.135000113Y580 K581 F582P578-Y580 HydrophobicContact CB-CD1 3.59Å; P578-Y580 HydrophobicContact CB-CE1 3.2Å; P578-Y580 HydrophobicContact CG-CE1 4.09Å; P578-Y580 PolarHBondContact O-N 3.48Å; P578-K581 HydrophobicContact CB-CD 4.45Å; P578-K581 HydrophobicContact CB-CG 4.33Å; P578-K581 WeakPolarHBondContact O-CB 3.41Å; P578-K581 WeakPolarHBondContact O-CG 3.39Å; P578-K581 PolarHBondContact O-N 3.27Å; P578-F582 WeakPolarHBondContact O-CE2 3.25Å
579A78.3Confident67.6Low17 Ų1775.5 Ų75.514%0.1437%0.365CS..G310 helixtrans-62.5-28.4-172.800000113.4F543 G549 A551 V577 K581 F582F543-A579 HydrophobicContact CZ-CB 4.29Å; G549-A579 PolarHBondContact O-N 3.35Å; A551-A579 HydrophobicContact CB-CB 3.83Å; V577-A579 PolarHBondContact O-N 3.31Å; A579-K581 PolarHBondContact O-N 2.78Å; A579-K581 VanDerWaalsContact O-N 3.13Å; A579-F582 WeakPolarHBondContact O-CD2 3.4Å; A579-F582 PolarHBondContact O-N 3.05Å
580Y73.5Confident68.1Low58 Ų5872 Ų7223%0.22735%0.351CS..G310 helixtrans-66.9-12.1-178.871-101.2000114L14 W58 I527 P578 F582L14-Y580 HydrophobicContact CD2-CD2 3.85Å; L14-Y580 HydrophobicContact CD2-CG 3.84Å; W58-Y580 HydrophobicContact CH2-CD2 4.33Å; W58-Y580 AromaticContact CH2-CE2 3.32Å; W58-Y580 HydrophobicContact CH2-CE2 3.32Å; W58-Y580 AromaticContact CH2-CZ 3.48Å; W58-Y580 VanDerWaalsContact CH2-CZ 3.48Å; W58-Y580 WeakPolarHBondContact CH2-OH 3.31Å; W58-Y580 AromaticContact CZ2-CE2 3.94Å; W58-Y580 HydrophobicContact CZ2-CE2 3.94Å; W58-Y580 HydrophobicContact CZ3-CE2 4.15Å; W58-Y580 AromaticContact CZ3-CZ 3.91Å; I527-Y580 HydrophobicContact CD1-CD2 3.83Å; I527-Y580 HydrophobicContact CD1-CE2 3.77Å; P578-Y580 HydrophobicContact CB-CD1 3.59Å; P578-Y580 HydrophobicContact CB-CE1 3.2Å; P578-Y580 HydrophobicContact CG-CE1 4.09Å; P578-Y580 PolarHBondContact O-N 3.48Å; Y580-F582 PolarHBondContact O-N 2.72Å
581K83.2Confident67.9Low16 Ų1670.2 Ų70.27%0.0735%0.351CS..G310 helixtrans-77.1-5.5-178.4-62.4-169.3178-165.50113.7I526 I527 D529 P578 A579I526-K581 WeakPolarHBondContact CG1-O 3.38Å; I526-K581 PolarHBondContact N-O 2.9Å; I527-K581 HydrophobicContact CB-CB 4.16Å; I527-K581 HydrophobicContact CB-CG 4.03Å; I527-K581 HydrophobicContact CG2-CD 4.33Å; I527-K581 HydrophobicContact CG2-CG 4.21Å; I527-K581 PolarHBondContact N-O 2.77Å; D529-K581 HydrophobicContact CB-CD 4.07Å; D529-K581 IonicContact OD1-NZ 3.03Å; D529-K581 PolarHBondContact OD1-NZ 3.29Å; P578-K581 HydrophobicContact CB-CD 4.45Å; P578-K581 HydrophobicContact CB-CG 4.33Å; P578-K581 WeakPolarHBondContact O-CB 3.41Å; P578-K581 WeakPolarHBondContact O-CG 3.39Å; P578-K581 PolarHBondContact O-N 3.27Å; A579-K581 PolarHBondContact O-N 2.78Å; A579-K581 VanDerWaalsContact O-N 3.13Å
582F83.8Confident67.7Low14 Ų1472.3 Ų72.36%0.06137%0.367CS..EExtended strand (participates in β ladder)trans-118.7149.4-172.1-55.2-83.9000111.4F523 D524 V525 L534 V540 F543 V553 V577 P578 A579 Y580F523-F582 HydrophobicContact CB-CB 4.07Å; F523-F582 HydrophobicContact CB-CD1 4.49Å; F523-F582 HydrophobicContact CD1-CB 3.8Å; F523-F582 HydrophobicContact CG-CB 4.31Å; D524-F582 WeakPolarHBondContact O-CA 3.44Å; V525-F582 HydrophobicContact CG2-CD1 3.97Å; V525-F582 HydrophobicContact CG2-CE1 3.7Å; L534-F582 HydrophobicContact CD1-CE1 3.89Å; L534-F582 HydrophobicContact CD1-CZ 3.54Å; V540-F582 HydrophobicContact CG2-CD1 3.68Å; V540-F582 HydrophobicContact CG2-CE1 3.44Å; V540-F582 VanDerWaalsContact CG2-CE1 3.44Å; F543-F582 HydrophobicContact CD2-CB 4.22Å; F543-F582 HydrophobicContact CD2-CD2 4.21Å; F543-F582 HydrophobicContact CD2-CG 4.1Å; F543-F582 HydrophobicContact CE2-CB 3.79Å; F543-F582 AromaticContact CE2-CD2 3.6Å; F543-F582 HydrophobicContact CE2-CD2 3.6Å; F543-F582 HydrophobicContact CE2-CE2 4.37Å; F543-F582 AromaticContact CE2-CG 3.79Å; F543-F582 HydrophobicContact CE2-CG 3.79Å; V553-F582 HydrophobicContact CB-CE1 4.41Å; V553-F582 HydrophobicContact CB-CZ 4.16Å; V553-F582 HydrophobicContact CG1-CD2 4.38Å; V553-F582 HydrophobicContact CG1-CE1 3.98Å; V553-F582 HydrophobicContact CG1-CE2 3.79Å; V553-F582 HydrophobicContact CG1-CZ 3.57Å; V553-F582 HydrophobicContact CG2-CE1 4.32Å; V553-F582 HydrophobicContact CG2-CZ 3.84Å; V577-F582 HydrophobicContact CG2-CE2 3.3Å; V577-F582 HydrophobicContact CG2-CZ 3.27Å; P578-F582 WeakPolarHBondContact O-CE2 3.25Å; A579-F582 WeakPolarHBondContact O-CD2 3.4Å; A579-F582 PolarHBondContact O-N 3.05Å; Y580-F582 PolarHBondContact O-N 2.72Å
583R80.7Confident68.5Low75 Ų7569.3 Ų69.328%0.28335%0.349SS..EExtended strand (participates in β ladder)trans-126.9131.2172.2-176.3-173.368.2-157.2-3.4109.6F523 D524 I526 R585F523-R583 CarbonylContact C-O 3.54Å; F523-R583 VanDerWaalsContact CA-O 3.23Å; F523-R583 WeakPolarHBondContact CA-O 3.32Å; F523-R583 WeakPolarHBondContact CB-O 3.47Å; D524-R583 PolarHBondContact N-O 3.42Å; D524-R583 PolarHBondContact O-N 3.18Å; D524-R583 IonicContact OD2-CZ 3.89Å; D524-R583 IonicContact OD2-NE 3.77Å; D524-R583 IonicContact OD2-NH2 3.49Å; D524-R583 PolarHBondContact OD2-NH2 2.84Å; I526-R583 HydrophobicContact CD1-CB 4.34Å; I526-R583 HydrophobicContact CG2-CB 3.77Å; R583-R585 PolarHBondContact O-N 3.38Å
584P76.8Confident68.7Low36 Ų3666.5 Ų66.523%0.23434%0.338CS..EExtended strand (participates in β ladder)trans-59.9136.2175.224.6-33.2000110.4Y518 L521 F523 I586Y518-P584 HydrophobicContact CE1-CB 4.24Å; Y518-P584 HydrophobicContact CE1-CG 4.23Å; L521-P584 HydrophobicContact CD1-CB 3.94Å; F523-P584 HydrophobicContact CD1-CB 4.2Å; F523-P584 VanDerWaalsContact CD1-N 3.3Å; F523-P584 HydrophobicContact CE1-CB 3.94Å; F523-P584 HydrophobicContact CE1-CG 4.44Å; F523-P584 HydrophobicContact CZ-CB 4.31Å; P584-I586 PolarHBondContact O-N 3.32Å
585R74.3Confident68.2Low96 Ų9665.2 Ų65.236%0.36233%0.331SS..  trans-88.193.7176.5-171.3172178.8143.7-8.7108.9K522 D524 R583 N587K522-R585 HydrophobicContact CB-CB 4.34Å; K522-R585 WeakPolarHBondContact O-CA 3.49Å; K522-R585 WeakPolarHBondContact O-CB 3.14Å; K522-R585 PolarHBondContact O-N 3.34Å; D524-R585 IonicContact OD1-NH1 2.81Å; D524-R585 PolarHBondContact OD1-NH1 2.95Å; R583-R585 PolarHBondContact O-N 3.38Å; R585-N587 VanDerWaalsContact C-N 3.26Å; R585-N587 HydrophobicContact CG-CB 4.41Å; R585-N587 PolarHBondContact O-N 2.81Å; R585-N587 VanDerWaalsContact O-N 3.09Å
586I65.9Low67.3Low39 Ų3964.8 Ų64.820%0.233%0.332CS..  trans-86.174.7175.5-50.6166.8000107.4L293 L302 Y309 P584L293-I586 HydrophobicContact CD1-CG2 4.44Å; L302-I586 HydrophobicContact CD1-CG2 4.38Å; L302-I586 HydrophobicContact CD2-CB 3.91Å; L302-I586 HydrophobicContact CD2-CD1 3.48Å; L302-I586 VanDerWaalsContact CD2-CD1 3.48Å; L302-I586 HydrophobicContact CD2-CG1 4.3Å; L302-I586 HydrophobicContact CD2-CG2 3.74Å; L302-I586 HydrophobicContact CG-CG2 4.36Å; Y309-I586 HydrophobicContact CE2-CG2 3.97Å; P584-I586 PolarHBondContact O-N 3.32Å
587N54.4Low66.2Low99 Ų9961.9 Ų61.953%0.52932%0.317SS..  trans-150.878.2174.7-100.7-8.6000108.8R585R585-N587 VanDerWaalsContact C-N 3.26Å; R585-N587 HydrophobicContact CG-CB 4.41Å; R585-N587 PolarHBondContact O-N 2.81Å; R585-N587 VanDerWaalsContact O-N 3.09Å
588I53.6Low65Low85 Ų8565.7 Ų65.744%0.43634%0.335SS..  trans-131.3110.9156.9-47.2174000102.8H291 V292H291-I588 HydrophobicContact CB-CD1 4.45Å; V292-I588 VanDerWaalsContact CG1-O 3.31Å; V292-I588 WeakPolarHBondContact CG1-O 3.33Å; V292-I588 HydrophobicContact CG2-CB 4.23Å; V292-I588 HydrophobicContact CG2-CG2 3.64Å
589T47.7Very low63.7Low53 Ų5368.4 Ų68.433%0.32535%0.346SS..BIsolated β-bridgetrans-122.7132179.548.70000106.2I295 N298 S591I295-T589 HydrophobicContact CB-CG2 4.28Å; I295-T589 HydrophobicContact CG1-CG2 4.03Å; N298-T589 HydrophobicContact CB-CG2 4.29Å; T589-S591 PolarHBondContact O-N 2.93Å
590W45Very low62.6Low97 Ų9772.3 Ų72.337%0.36736%0.362SS..  trans-65.5132.1167.9-89.491.7000108E231 V292E231-W590 HydrophobicContact CB-CD2 3.81Å; E231-W590 HydrophobicContact CB-CE3 4.16Å; E231-W590 HydrophobicContact CB-CG 4.2Å; E231-W590 HydrophobicContact CB-CH2 4.13Å; E231-W590 HydrophobicContact CB-CZ2 3.77Å; E231-W590 HydrophobicContact CB-CZ3 4.3Å; E231-W590 VanDerWaalsContact CG-CD1 3.47Å; E231-W590 HydrophobicContact CG-CD2 4.16Å; E231-W590 HydrophobicContact CG-CG 4.08Å; E231-W590 HydrophobicContact CG-CZ2 4.37Å; E231-W590 PolarHBondContact OE1-NE1 3.21Å; E231-W590 VanDerWaalsContact OE1-NE1 3.16Å; E231-W590 VanDerWaalsContact OE2-CE2 3.25Å; E231-W590 VanDerWaalsContact OE2-CZ2 3.3Å; E231-W590 WeakPolarHBondContact OE2-CZ2 3.43Å; E231-W590 PolarHBondContact OE2-NE1 3.03Å; V292-W590 HydrophobicContact CG1-CB 4.13Å; V292-W590 HydrophobicContact CG1-CG 3.95Å
591S36.3Very low61.7Low96 Ų9673.5 Ų73.567%0.67137%0.373SS*.  trans-72.9127.3160.852.60000106.9T589T589-S591 PolarHBondContact O-N 2.93Å
592N38.8Very low59.8Low176 Ų17678.7 Ų78.794%0.94140%0.401SS*.  trans-40.20173.8-72.5-1.9000112.1

Retrieved 592 of 592 residues in 601.9 ms (Link to these results)

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