A0A060WJH8_ONCMY Loading...

X-ray repair cross complementing 2

AlphaFold DB , UniProt , Accession A0A060WJH8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene xrcc2, Length 308 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
1M33.2Very low48.1Very low243 Ų243130.4 Ų130.4100%1.19774%0.744SS**  086.80-71.9174.9171.900107.7T3M1-T3 PolarHBondContact O-N 3.38Å
2T33.8Very low49.3Very low141 Ų141125.1 Ų125.187%0.86573%0.728SS**  trans-88.7101.4175.740.40000107.7T4T2-T4 PolarHBondContact O-N 3.18Å; T2-T4 VanDerWaalsContact O-N 3.11Å
3T33Very low50.5Low134 Ų134117.9 Ų117.982%0.82268%0.683SS**  trans-54.7109.8170.734.50000109.4M1 A5M1-T3 PolarHBondContact O-N 3.38Å; T3-A5 PolarHBondContact O-N 3.03Å
4T38.3Very low51.6Low136 Ų136115 Ų11583%0.83466%0.663SS**  trans-59.7103161.627.40000107.3T2 K6T2-T4 PolarHBondContact O-N 3.18Å; T2-T4 VanDerWaalsContact O-N 3.11Å; T4-K6 PolarHBondContact O-N 2.81Å
5A37.9Very low52.2Low95 Ų95115.6 Ų115.679%0.78566%0.655SS**  trans-60106.2168.100000107T3 M7T3-A5 PolarHBondContact O-N 3.03Å; A5-M7 VanDerWaalsContact C-N 3.27Å; A5-M7 PolarHBondContact O-N 3.21Å
6K42.7Very low52.7Low201 Ų201109.3 Ų109.387%0.87462%0.622SS**  trans-63.396.4166.2-101.9-177.1172.5-178.80106.2T4 T8T4-K6 PolarHBondContact O-N 2.81Å; K6-T8 PolarHBondContact O-N 3.25Å; K6-T8 VanDerWaalsContact O-N 3.13Å
7M50.5Low53.4Low133 Ų133109.7 Ų109.766%0.65561%0.611SS**  trans-62.5113.5170.1-154.4167.117700106.3A5 E9A5-M7 VanDerWaalsContact C-N 3.27Å; A5-M7 PolarHBondContact O-N 3.21Å; M7-E9 PolarHBondContact O-N 2.97Å; M7-E9 VanDerWaalsContact O-N 3.16Å
8T59Low53.9Low129 Ų129110.2 Ų110.279%0.79161%0.612SS**  trans-68.5110.4177.742.70000108.2K6 N10K6-T8 PolarHBondContact O-N 3.25Å; K6-T8 VanDerWaalsContact O-N 3.13Å; T8-N10 PolarHBondContact O-N 3.44Å
9E62.8Low54.4Low90 Ų90112.1 Ų112.142%0.42162%0.615SS.*  trans-62.8127175.5-171.5173.5-144.200109.4M7 Q13 L14 R17M7-E9 PolarHBondContact O-N 2.97Å; M7-E9 VanDerWaalsContact O-N 3.16Å; E9-Q13 VanDerWaalsContact CA-OE1 3.27Å; E9-Q13 HydrophobicContact CG-CB 3.67Å; E9-L14 HydrophobicContact CG-CB 4.47Å; E9-R17 WeakPolarHBondContact OE1-CD 3.12Å; E9-R17 IonicContact OE1-CZ 2.82Å; E9-R17 IonicContact OE1-NE 3.53Å; E9-R17 IonicContact OE1-NH1 2.69Å; E9-R17 PolarHBondContact OE1-NH1 3.37Å; E9-R17 IonicContact OE2-NH1 2.64Å
10N74.6Confident55.2Low86 Ų86108.7 Ų108.746%0.4661%0.607SS.*  trans-86.1162.3174.374.732.4000110.8T8 A12 Q13 L14T8-N10 PolarHBondContact O-N 3.44Å; N10-A12 VanDerWaalsContact C-N 3.26Å; N10-A12 PolarHBondContact O-N 3.08Å; N10-A12 PolarHBondContact OD1-N 3.06Å; N10-Q13 WeakPolarHBondContact O-CB 3.47Å; N10-Q13 PolarHBondContact O-N 3.18Å; N10-Q13 VanDerWaalsContact OD1-CG 3.24Å; N10-Q13 WeakPolarHBondContact OD1-CG 3.26Å; N10-Q13 PolarHBondContact OD1-N 3.26Å; N10-L14 PolarHBondContact O-N 3.22Å; N10-L14 VanDerWaalsContact O-N 3.08Å
11G63.3Low56.7Low46 Ų46104.4 Ų104.447%0.47458%0.582SS.*Hα-helixtrans-56.5-38-17700000113.4Q13 L14 F15G11-Q13 PolarHBondContact O-N 3.49Å; G11-L14 PolarHBondContact O-N 2.88Å; G11-F15 WeakPolarHBondContact O-CD2 3.31Å; G11-F15 PolarHBondContact O-N 2.85Å
12A62.2Low59.4Low67 Ų6798.8 Ų98.855%0.55455%0.547SS*.Hα-helixtrans-65.8-37.7177.500000112.4N10 L14 F15 A16N10-A12 VanDerWaalsContact C-N 3.26Å; N10-A12 PolarHBondContact O-N 3.08Å; N10-A12 PolarHBondContact OD1-N 3.06Å; A12-L14 VanDerWaalsContact C-N 3.35Å; A12-F15 PolarHBondContact O-N 3.06Å; A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 2.74Å
13Q64.6Low62.1Low32 Ų3295.3 Ų95.315%0.1553%0.529CS..Hα-helixtrans-63.8-41.4174-71170.1-26.700111.3E9 N10 G11 R17 C149E9-Q13 VanDerWaalsContact CA-OE1 3.27Å; E9-Q13 HydrophobicContact CG-CB 3.67Å; N10-Q13 WeakPolarHBondContact O-CB 3.47Å; N10-Q13 PolarHBondContact O-N 3.18Å; N10-Q13 VanDerWaalsContact OD1-CG 3.24Å; N10-Q13 WeakPolarHBondContact OD1-CG 3.26Å; N10-Q13 PolarHBondContact OD1-N 3.26Å; G11-Q13 PolarHBondContact O-N 3.49Å; Q13-R17 VanDerWaalsContact O-CG 3.31Å; Q13-R17 WeakPolarHBondContact O-CG 3.24Å; Q13-R17 PolarHBondContact O-N 2.92Å; Q13-C149 HydrophobicContact CG-CB 3.87Å
14L66.5Low64.9Low77 Ų7789 Ų8940%0.40349%0.49SS..Hα-helixtrans-64.8-45.9174.5-177.466.5000111.4E9 N10 G11 A12 R17 L18E9-L14 HydrophobicContact CG-CB 4.47Å; N10-L14 PolarHBondContact O-N 3.22Å; N10-L14 VanDerWaalsContact O-N 3.08Å; G11-L14 PolarHBondContact O-N 2.88Å; A12-L14 VanDerWaalsContact C-N 3.35Å; L14-R17 WeakPolarHBondContact O-CB 3.37Å; L14-R17 PolarHBondContact O-N 3.27Å; L14-L18 HydrophobicContact CD1-CD1 4.1Å; L14-L18 HydrophobicContact CD1-CG 4.38Å; L14-L18 HydrophobicContact CD2-CD1 4.38Å; L14-L18 HydrophobicContact CG-CD1 3.8Å; L14-L18 HydrophobicContact CG-CG 4.42Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.12Å; L14-L18 PolarHBondContact O-N 2.88Å
15F60Low67.5Low124 Ų12487.8 Ų87.854%0.54447%0.47SS..Hα-helixtrans-64.6-42179-84.1-71.3000112.7G11 A12 R17 L18 E19G11-F15 WeakPolarHBondContact O-CD2 3.31Å; G11-F15 PolarHBondContact O-N 2.85Å; A12-F15 PolarHBondContact O-N 3.06Å; F15-R17 PolarHBondContact O-N 3.31Å; F15-L18 PolarHBondContact O-N 3.47Å; F15-E19 PolarHBondContact O-N 2.8Å
16A60.6Low70Confident14 Ų1488.5 Ų88.512%0.11646%0.46CS..Hα-helixtrans-59.8-30.8174.900000112.5A12 P152A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 2.74Å; A16-P152 HydrophobicContact CB-CB 4.35Å
17R64.3Low72.5Confident117 Ų11779 Ų7944%0.44242%0.419SS..Hα-helixtrans-77.6-27.5173.5-68.2176.174.9-177.14.1113.4E9 Q13 L14 F15 D197E9-R17 WeakPolarHBondContact OE1-CD 3.12Å; E9-R17 IonicContact OE1-CZ 2.82Å; E9-R17 IonicContact OE1-NE 3.53Å; E9-R17 IonicContact OE1-NH1 2.69Å; E9-R17 PolarHBondContact OE1-NH1 3.37Å; E9-R17 IonicContact OE2-NH1 2.64Å; Q13-R17 VanDerWaalsContact O-CG 3.31Å; Q13-R17 WeakPolarHBondContact O-CG 3.24Å; Q13-R17 PolarHBondContact O-N 2.92Å; L14-R17 WeakPolarHBondContact O-CB 3.37Å; L14-R17 PolarHBondContact O-N 3.27Å; F15-R17 PolarHBondContact O-N 3.31Å; R17-D197 PolarHBondContact NE-O 2.72Å
18L62.3Low74.6Confident119 Ų11973.3 Ų73.362%0.62339%0.391SS*.Hα-helixtrans-92.4-34.9-175.5-69.9175.5000113.9L14 F15 G20L14-L18 HydrophobicContact CD1-CD1 4.1Å; L14-L18 HydrophobicContact CD1-CG 4.38Å; L14-L18 HydrophobicContact CD2-CD1 4.38Å; L14-L18 HydrophobicContact CG-CD1 3.8Å; L14-L18 HydrophobicContact CG-CG 4.42Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.12Å; L14-L18 PolarHBondContact O-N 2.88Å; F15-L18 PolarHBondContact O-N 3.47Å; L18-G20 PolarHBondContact O-N 3.18Å
19E63.3Low76.2Confident145 Ų14570.5 Ų70.568%0.67838%0.375SS*.SBendtrans-68.9-16.3-178.5-78.6-173.715500113F15F15-E19 PolarHBondContact O-N 2.8Å
20G71.3Confident77.7Confident44 Ų4471 Ų7145%0.45438%0.378SS..  trans71.1139.1177.500000112.1L18L18-G20 PolarHBondContact O-N 3.18Å
21R87.3Confident78.7Confident19 Ų1967 Ų677%0.07236%0.356CS..PPolyproline II helixtrans-77.8162.7175.7-62.6-165.2-173.2-90.42110.9Q40 F148 R151 P152 L154 Y198R21-Q40 PolarHBondContact O-NE2 3.13Å; R21-F148 PolarHBondContact NH2-O 2.84Å; R21-R151 PolarHBondContact NH1-O 2.74Å; R21-P152 VanDerWaalsContact NH1-CA 3.33Å; R21-P152 PolarHBondContact NH1-O 2.89Å; R21-L154 VanDerWaalsContact CZ-O 3.23Å; R21-L154 PolarHBondContact NH1-O 3.11Å; R21-Y198 PolarHBondContact NE-O 3.35Å
22R88.5Confident80.2Confident125 Ų12565 Ų6547%0.47233%0.334SS..PPolyproline II helixtrans-60.6143.5169.3-73.2-91.7-95.4-124.8-2109.4L74 V76R22-L74 PolarHBondContact NE-O 3.4Å; R22-L74 PolarHBondContact NH2-O 3.08Å; R22-V76 HydrophobicContact CB-CG1 3.52Å; R22-V76 HydrophobicContact CG-CG1 3.85Å
23S90.2Very high81.5Confident69 Ų6962.7 Ų62.748%0.48331%0.313SS..PPolyproline II helixtrans-74.6136.9177.5-178.10000110.2R25S23-R25 WeakPolarHBondContact OG-CB 3.49Å; S23-R25 PolarHBondContact OG-N 3.33Å
24L93.4Very high82.6Confident1 Ų167.7 Ų67.71%0.00534%0.341CS..  trans-104.612.3170.9-54.8-173000112.2D26 I27 P38 L74 V76 L156 V201L24-D26 PolarHBondContact O-N 3.24Å; L24-D26 VanDerWaalsContact O-N 3.15Å; L24-I27 HydrophobicContact CB-CB 4.36Å; L24-I27 VanDerWaalsContact O-CB 3.24Å; L24-I27 WeakPolarHBondContact O-CB 3.38Å; L24-I27 VanDerWaalsContact O-CG2 3.22Å; L24-I27 WeakPolarHBondContact O-CG2 2.98Å; L24-I27 PolarHBondContact O-N 3.47Å; L24-I27 VanDerWaalsContact O-N 3.08Å; L24-P38 CarbonylContact C-O 3.57Å; L24-L74 HydrophobicContact CD2-CD1 3.61Å; L24-V76 HydrophobicContact CD2-CG2 4.33Å; L24-L156 HydrophobicContact CD1-CB 4.1Å; L24-L156 HydrophobicContact CD1-CD1 4.28Å; L24-V201 HydrophobicContact CB-CG2 4.29Å; L24-V201 HydrophobicContact CD1-CB 3.74Å; L24-V201 HydrophobicContact CD1-CG1 4.34Å; L24-V201 HydrophobicContact CD1-CG2 3.7Å; L24-V201 HydrophobicContact CG-CG2 4.16Å
25R92.4Very high83.4Confident111 Ų11166.7 Ų66.742%0.41935%0.35SS..THydrogen-bonded Turntrans-53.4-40.5-175.7178.7174.2-85174.8-7.3112.1S23 G37 P38 I39S23-R25 WeakPolarHBondContact OG-CB 3.49Å; S23-R25 PolarHBondContact OG-N 3.33Å; R25-G37 VanDerWaalsContact O-CA 3.27Å; R25-G37 WeakPolarHBondContact O-CA 3.4Å; R25-P38 VanDerWaalsContact CA-O 3.31Å; R25-P38 WeakPolarHBondContact CA-O 3.37Å; R25-P38 PolarHBondContact N-O 2.89Å; R25-P38 VanDerWaalsContact N-O 3.12Å; R25-I39 HydrophobicContact CB-CG2 4.02Å; R25-I39 HydrophobicContact CG-CG2 4.35Å
26D91Very high84.9Confident109 Ų10961.3 Ų61.358%0.58333%0.328SS*.THydrogen-bonded Turntrans-104.422.3-174.2-52.2-53.8000112.1L24 E28L24-D26 PolarHBondContact O-N 3.24Å; L24-D26 VanDerWaalsContact O-N 3.15Å; D26-E28 PolarHBondContact O-N 3.36Å
27I94.4Very high86.5Confident1 Ų160.9 Ų60.91%0.00533%0.325CS..SBendtrans-57.6-32.8-176.7-166.5178.9000113.3L24 F32 P38 L61 H64 C65 L74 F203L24-I27 HydrophobicContact CB-CB 4.36Å; L24-I27 VanDerWaalsContact O-CB 3.24Å; L24-I27 WeakPolarHBondContact O-CB 3.38Å; L24-I27 VanDerWaalsContact O-CG2 3.22Å; L24-I27 WeakPolarHBondContact O-CG2 2.98Å; L24-I27 PolarHBondContact O-N 3.47Å; L24-I27 VanDerWaalsContact O-N 3.08Å; I27-F32 HydrophobicContact CG2-CD2 4.07Å; I27-F32 HydrophobicContact CG2-CE2 3.74Å; I27-P38 HydrophobicContact CG2-CG 3.86Å; I27-L61 HydrophobicContact CD1-CB 4.32Å; I27-L61 HydrophobicContact CD1-CD2 4.18Å; I27-L61 HydrophobicContact CG1-CD2 3.99Å; I27-L61 HydrophobicContact CG2-CD2 4.43Å; I27-H64 PolarHBondContact O-CD2 3.42Å; I27-H64 VanDerWaalsContact O-CD2 3.22Å; I27-C65 VanDerWaalsContact CD1-SG 3.53Å; I27-L74 HydrophobicContact CB-CD1 4.35Å; I27-L74 HydrophobicContact CG1-CD1 4.04Å; I27-F203 HydrophobicContact CG2-CZ 4.47Å
28E94.9Very high87.9Confident14 Ų1455.3 Ų55.37%0.06530%0.304CS..  trans-156.693.6173-177.947.2-103.800111.5D26 H30 I31 F32 H60 L61 F307D26-E28 PolarHBondContact O-N 3.36Å; E28-H30 PolarHBondContact O-N 3.24Å; E28-H30 WeakPolarHBondContact OE1-CB 3.42Å; E28-H30 IonicContact OE1-CE1 3.79Å; E28-H30 IonicContact OE1-CG 3.54Å; E28-H30 PolarHBondContact OE1-N 3.13Å; E28-H30 IonicContact OE1-ND1 3.82Å; E28-H30 PolarHBondContact OE1-ND1 3.15Å; E28-I31 HydrophobicContact CB-CB 4.41Å; E28-I31 HydrophobicContact CB-CD1 4.42Å; E28-I31 HydrophobicContact CG-CB 3.89Å; E28-I31 HydrophobicContact CG-CD1 3.69Å; E28-I31 HydrophobicContact CG-CG1 3.62Å; E28-I31 PolarHBondContact O-N 2.94Å; E28-F32 HydrophobicContact CB-CD2 4.25Å; E28-F32 HydrophobicContact CB-CE2 4.29Å; E28-F32 WeakPolarHBondContact O-CD2 3.21Å; E28-F32 PolarHBondContact O-N 3.12Å; E28-F32 VanDerWaalsContact O-N 3.14Å; E28-H60 IonicContact OE2-CD2 3.69Å; E28-H60 IonicContact OE2-CE1 3.99Å; E28-H60 IonicContact OE2-NE2 3.24Å; E28-H60 PolarHBondContact OE2-NE2 2.96Å; E28-L61 HydrophobicContact CB-CD2 3.53Å; E28-L61 HydrophobicContact CG-CD2 4.3Å; E28-F307 HydrophobicContact CG-CE2 3.98Å; E28-F307 HydrophobicContact CG-CZ 3.81Å; E28-F307 WeakPolarHBondContact OE2-CE2 3.33Å
29P92.9Very high89.4Confident71 Ų7152.8 Ų52.846%0.46129%0.291SS..THydrogen-bonded Turntrans-63.8-18.6-179.3-22.834.5000113.9K294P29-K294 WeakPolarHBondContact O-CE 3.38Å; P29-K294 PolarHBondContact O-NZ 3.32Å
30H94.5Very high90.8Very high101 Ų10148.4 Ų48.447%0.46827%0.27SS..THydrogen-bonded Turntrans-78.3-32.6177.8-60.884.8000111.9E28 K294 S296 F307E28-H30 PolarHBondContact O-N 3.24Å; E28-H30 WeakPolarHBondContact OE1-CB 3.42Å; E28-H30 IonicContact OE1-CE1 3.79Å; E28-H30 IonicContact OE1-CG 3.54Å; E28-H30 PolarHBondContact OE1-N 3.13Å; E28-H30 IonicContact OE1-ND1 3.82Å; E28-H30 PolarHBondContact OE1-ND1 3.15Å; H30-K294 WeakPolarHBondContact O-CE 3.28Å; H30-S296 VanDerWaalsContact O-CB 3.31Å; H30-S296 WeakPolarHBondContact O-CB 3.23Å; H30-F307 HydrophobicContact CB-CB 4.22Å; H30-F307 HydrophobicContact CB-CD1 3.49Å; H30-F307 VanDerWaalsContact CB-CD1 3.49Å; H30-F307 HydrophobicContact CB-CD2 3.7Å; H30-F307 HydrophobicContact CB-CE1 3.69Å; H30-F307 HydrophobicContact CB-CE2 3.9Å; H30-F307 HydrophobicContact CB-CG 3.51Å; H30-F307 HydrophobicContact CB-CZ 3.89Å; H30-F307 AromaticContact CG-CD2 3.67Å; H30-F307 AromaticContact CG-CG 3.63Å; H30-F307 AromaticContact ND1-CD2 3.74Å
31I95.3Very high91.9Very high1 Ų147.6 Ų47.61%0.00526%0.262CS..THydrogen-bonded Turntrans-84.4-45.6-178.7-65.5176.1000111E28 T57 V266 C285 F307E28-I31 HydrophobicContact CB-CB 4.41Å; E28-I31 HydrophobicContact CB-CD1 4.42Å; E28-I31 HydrophobicContact CG-CB 3.89Å; E28-I31 HydrophobicContact CG-CD1 3.69Å; E28-I31 HydrophobicContact CG-CG1 3.62Å; E28-I31 PolarHBondContact O-N 2.94Å; I31-T57 HydrophobicContact CD1-CG2 3.33Å; I31-V266 HydrophobicContact CG2-CG1 3.99Å; I31-V266 HydrophobicContact CG2-CG2 3.96Å; I31-C285 HydrophobicContact CG2-CB 4.43Å; I31-C285 WeakPolarHBondContact O-CB 2.97Å; I31-F307 HydrophobicContact CD1-CE1 4.31Å; I31-F307 HydrophobicContact CD1-CZ 3.87Å; I31-F307 HydrophobicContact CG1-CE1 3.74Å; I31-F307 HydrophobicContact CG1-CZ 3.63Å
32F94.7Very high92.4Very high3 Ų348 Ų481%0.01327%0.265CS..SBendtrans-97142.4-170.9-59-71.9000112.7I27 E28 P38 V44 F203 V266 K294I27-F32 HydrophobicContact CG2-CD2 4.07Å; I27-F32 HydrophobicContact CG2-CE2 3.74Å; E28-F32 HydrophobicContact CB-CD2 4.25Å; E28-F32 HydrophobicContact CB-CE2 4.29Å; E28-F32 WeakPolarHBondContact O-CD2 3.21Å; E28-F32 PolarHBondContact O-N 3.12Å; E28-F32 VanDerWaalsContact O-N 3.14Å; F32-P38 HydrophobicContact CD2-CG 4.37Å; F32-P38 HydrophobicContact CE1-CG 4.36Å; F32-P38 HydrophobicContact CE2-CG 4.09Å; F32-P38 HydrophobicContact CZ-CG 4.09Å; F32-V44 HydrophobicContact CE1-CG1 3.85Å; F32-V44 HydrophobicContact CE1-CG2 4.32Å; F32-V44 HydrophobicContact CZ-CG1 4Å; F32-V44 HydrophobicContact CZ-CG2 4.43Å; F32-F203 HydrophobicContact CE2-CE1 4.38Å; F32-F203 HydrophobicContact CE2-CZ 4.13Å; F32-F203 AromaticContact CZ-CE1 3.79Å; F32-F203 HydrophobicContact CZ-CE1 3.79Å; F32-F203 AromaticContact CZ-CZ 3.7Å; F32-F203 HydrophobicContact CZ-CZ 3.7Å; F32-V266 HydrophobicContact CE1-CG2 4.12Å; F32-K294 VanDerWaalsContact O-CD 3.27Å; F32-K294 WeakPolarHBondContact O-CD 3.29Å; F32-K294 WeakPolarHBondContact O-CE 3.39Å; F32-K294 PolarHBondContact O-NZ 2.98Å
33P89.8Confident92.9Very high19 Ų1942.1 Ų42.112%0.12324%0.243CC..PPolyproline II helixtrans-59.8147.8178.8-15.927.3000112.6G35 A36 G37 T287 K294P33-G35 PolarHBondContact O-N 3.15Å; P33-A36 HydrophobicContact CB-CB 4.22Å; P33-A36 CarbonylContact O-C 3.58Å; P33-A36 WeakPolarHBondContact O-CA 3.27Å; P33-A36 PolarHBondContact O-N 3.22Å; P33-G37 PolarHBondContact O-N 3.27Å; P33-T287 HydrophobicContact CG-CG2 3.89Å; P33-K294 HydrophobicContact CB-CB 4.43Å; P33-K294 HydrophobicContact CB-CD 4.45Å; P33-K294 HydrophobicContact CG-CB 4Å
34D86.5Confident93.3Very high137 Ų13738.8 Ų38.873%0.73322%0.22SC*.THydrogen-bonded Turntrans-60.8126.4-174.3-56.3-16.9000110.6A36 K294D34-A36 PolarHBondContact O-N 2.9Å; D34-K294 IonicContact OD1-NZ 3.42Å; D34-K294 PolarHBondContact OD1-NZ 3.21Å
35G85.1Confident93.5Very high57 Ų5738.9 Ų38.959%0.58822%0.221SC*.THydrogen-bonded Turntrans72.30.3-175.900000115.3P33P33-G35 PolarHBondContact O-N 3.15Å
36A90.5Very high93.7Very high11 Ų1133.6 Ų33.69%0.09120%0.201CC..  trans-128.936-179.500000112.3P33 D34 H264 T290P33-A36 HydrophobicContact CB-CB 4.22Å; P33-A36 CarbonylContact O-C 3.58Å; P33-A36 WeakPolarHBondContact O-CA 3.27Å; P33-A36 PolarHBondContact O-N 3.22Å; D34-A36 PolarHBondContact O-N 2.9Å; A36-H264 PolarHBondContact O-NE2 3.39Å; A36-H264 VanDerWaalsContact O-NE2 3.15Å; A36-T290 HydrophobicContact CB-CG2 3.61Å
37G93.2Very high93.8Very high5 Ų528.7 Ų28.75%0.05217%0.174CC..SBendtrans-79.5168.9163.900000112.9R25 P33 I39R25-G37 VanDerWaalsContact O-CA 3.27Å; R25-G37 WeakPolarHBondContact O-CA 3.4Å; P33-G37 PolarHBondContact O-N 3.27Å; G37-I39 PolarHBondContact O-N 2.72Å
38P95.1Very high93.7Very high0 Ų028.7 Ų28.70%018%0.175CC..  trans-67.1128.5-166.527-34.6000111.7L24 R25 I27 F32 D42 V44 V201 F203L24-P38 CarbonylContact C-O 3.57Å; R25-P38 VanDerWaalsContact CA-O 3.31Å; R25-P38 WeakPolarHBondContact CA-O 3.37Å; R25-P38 PolarHBondContact N-O 2.89Å; R25-P38 VanDerWaalsContact N-O 3.12Å; I27-P38 HydrophobicContact CG2-CG 3.86Å; F32-P38 HydrophobicContact CD2-CG 4.37Å; F32-P38 HydrophobicContact CE1-CG 4.36Å; F32-P38 HydrophobicContact CE2-CG 4.09Å; F32-P38 HydrophobicContact CZ-CG 4.09Å; P38-D42 HydrophobicContact CB-CB 4.36Å; P38-V44 HydrophobicContact CB-CG2 3.7Å; P38-V44 HydrophobicContact CG-CG2 4.19Å; P38-V201 HydrophobicContact CB-CG1 3.99Å; P38-F203 HydrophobicContact CB-CE2 4.43Å; P38-F203 HydrophobicContact CG-CE2 4.11Å; P38-F203 HydrophobicContact CG-CZ 3.95Å
39I94Very high93.5Very high66 Ų6630.3 Ų30.334%0.33819%0.186SC..  trans-111.5171.2175.560.2166.7000110.8R25 G37 G41 D42 V201R25-I39 HydrophobicContact CB-CG2 4.02Å; R25-I39 HydrophobicContact CG-CG2 4.35Å; G37-I39 PolarHBondContact O-N 2.72Å; I39-G41 PolarHBondContact O-N 3.16Å; I39-D42 WeakPolarHBondContact CG1-OD2 3.31Å; I39-D42 PolarHBondContact N-OD2 3.1Å; I39-D42 WeakPolarHBondContact O-CB 3.46Å; I39-D42 PolarHBondContact O-N 2.9Å; I39-V201 WeakPolarHBondContact O-CG2 3.29Å
40Q92.6Very high93.3Very high53 Ų5335.5 Ų35.525%0.24820%0.204CC..THydrogen-bonded Turntrans-54.8127.8179-63.9173.92.600112R21 R199R21-Q40 PolarHBondContact O-NE2 3.13Å; Q40-R199 HydrophobicContact CB-CB 3.96Å; Q40-R199 VanDerWaalsContact CB-O 3.25Å; Q40-R199 WeakPolarHBondContact CB-O 3.25Å; Q40-R199 HydrophobicContact CG-CB 4.36Å; Q40-R199 WeakPolarHBondContact CG-O 3.49Å
41G94.5Very high93.2Very high27 Ų2733.1 Ų33.128%0.27821%0.207SC..THydrogen-bonded Turntrans96.1-8.7-173.800000114I39 I200I39-G41 PolarHBondContact O-N 3.16Å; G41-I200 PolarHBondContact N-O 3.1Å
42D97.1Very high93.1Very high27 Ų2733.1 Ų33.114%0.14421%0.207CC..  trans-82.2148.6178.6-70.8-18.1000112.8P38 I39 V202 T263 H264P38-D42 HydrophobicContact CB-CB 4.36Å; I39-D42 WeakPolarHBondContact CG1-OD2 3.31Å; I39-D42 PolarHBondContact N-OD2 3.1Å; I39-D42 WeakPolarHBondContact O-CB 3.46Å; I39-D42 PolarHBondContact O-N 2.9Å; D42-V202 PolarHBondContact O-N 3.3Å; D42-T263 HydrophobicContact CB-CG2 4.39Å; D42-T263 VanDerWaalsContact CB-OG1 3.27Å; D42-T263 WeakPolarHBondContact CB-OG1 3.32Å; D42-H264 IonicContact OD2-CE1 2.96Å; D42-H264 PolarHBondContact OD2-CE1 3.25Å; D42-H264 VanDerWaalsContact OD2-CE1 3.24Å; D42-H264 IonicContact OD2-ND1 3.27Å
43V98.4Very high93.1Very high1 Ų133.3 Ų33.31%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-116125.8168.6-174.30000109.7L195 V202 W258 L261 T263 H264V43-L195 HydrophobicContact CG2-CD1 3.31Å; V43-L195 HydrophobicContact CG2-CD2 4.24Å; V43-L195 HydrophobicContact CG2-CG 4.41Å; V43-V202 CarbonylContact C-O 3.37Å; V43-V202 WeakPolarHBondContact CA-O 3.48Å; V43-V202 HydrophobicContact CG1-CB 4.27Å; V43-V202 HydrophobicContact CG1-CG1 4.2Å; V43-V202 HydrophobicContact CG2-CB 4.24Å; V43-W258 HydrophobicContact CG1-CH2 3.58Å; V43-W258 HydrophobicContact CG1-CZ2 4.14Å; V43-W258 HydrophobicContact CG1-CZ3 4.14Å; V43-L261 WeakPolarHBondContact CB-O 3.12Å; V43-L261 HydrophobicContact CG2-CB 4.11Å; V43-L261 WeakPolarHBondContact CG2-O 3.5Å; V43-T263 PolarHBondContact N-OG1 2.76Å; V43-T263 PolarHBondContact O-N 3.19Å; V43-T263 PolarHBondContact O-OG1 2.9Å; V43-H264 PolarHBondContact O-N 3.2Å; V43-H264 VanDerWaalsContact O-N 3.07Å
44V98.3Very high93.3Very high0 Ų033.4 Ų33.40%021%0.208CC..EExtended strand (participates in β ladder)trans-106.4120.6175.7-171.40000109.4F32 P38 F46 V202 F203 A204 H264 V266F32-V44 HydrophobicContact CE1-CG1 3.85Å; F32-V44 HydrophobicContact CE1-CG2 4.32Å; F32-V44 HydrophobicContact CZ-CG1 4Å; F32-V44 HydrophobicContact CZ-CG2 4.43Å; P38-V44 HydrophobicContact CB-CG2 3.7Å; P38-V44 HydrophobicContact CG-CG2 4.19Å; V44-F46 HydrophobicContact CG1-CD1 3.84Å; V44-F46 HydrophobicContact CG1-CE1 3.52Å; V44-V202 PolarHBondContact N-O 3.38Å; V44-F203 HydrophobicContact CB-CD1 3.97Å; V44-F203 HydrophobicContact CB-CD2 4.01Å; V44-F203 HydrophobicContact CB-CE1 3.96Å; V44-F203 HydrophobicContact CB-CE2 4.04Å; V44-F203 HydrophobicContact CB-CG 4.01Å; V44-F203 HydrophobicContact CB-CZ 4.03Å; V44-F203 HydrophobicContact CG1-CD1 4.08Å; V44-F203 HydrophobicContact CG1-CE1 3.86Å; V44-F203 HydrophobicContact CG1-CZ 4.23Å; V44-F203 HydrophobicContact CG2-CD2 3.97Å; V44-F203 HydrophobicContact CG2-CE1 4.14Å; V44-F203 HydrophobicContact CG2-CE2 3.58Å; V44-F203 HydrophobicContact CG2-CG 4.45Å; V44-F203 HydrophobicContact CG2-CZ 3.68Å; V44-F203 CarbonylContact O-C 3.58Å; V44-F203 WeakPolarHBondContact O-CA 3.33Å; V44-A204 PolarHBondContact O-N 3.42Å; V44-H264 CarbonylContact C-O 3.56Å; V44-H264 WeakPolarHBondContact CA-O 3.4Å; V44-H264 HydrophobicContact CB-CB 4.27Å; V44-H264 HydrophobicContact CG1-CB 4.02Å; V44-H264 HydrophobicContact CG2-CB 4Å; V44-V266 HydrophobicContact CG1-CG2 4.09Å
45E97.8Very high93.8Very high3 Ų328.8 Ų28.81%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-103.3119.7177.2-176.2-177-134.700110.5A204 T206 W258 V262 H264 R265 V266E45-A204 CarbonylContact C-O 3.56Å; E45-A204 WeakPolarHBondContact CA-O 3.43Å; E45-T206 HydrophobicContact CG-CG2 3.9Å; E45-T206 WeakPolarHBondContact OE1-CG2 3.34Å; E45-W258 HydrophobicContact CB-CZ2 4.44Å; E45-W258 HydrophobicContact CG-CZ2 4.38Å; E45-W258 PolarHBondContact OE1-NE1 2.82Å; E45-V262 HydrophobicContact CB-CB 4.5Å; E45-V262 HydrophobicContact CB-CG1 3.66Å; E45-V262 HydrophobicContact CB-CG2 3.94Å; E45-V262 HydrophobicContact CG-CG2 4.49Å; E45-H264 PolarHBondContact N-O 3.5Å; E45-R265 WeakPolarHBondContact O-CA 3.3Å; E45-R265 IonicContact OE1-NH2 3.59Å; E45-R265 IonicContact OE2-CZ 2.8Å; E45-R265 IonicContact OE2-NE 2.8Å; E45-R265 PolarHBondContact OE2-NE 2.92Å; E45-R265 IonicContact OE2-NH2 3.95Å; E45-R265 PolarHBondContact OE2-NH2 3.38Å; E45-V266 PolarHBondContact O-N 3.09Å
46F97.1Very high94.3Very high0 Ų027.9 Ų27.90%017%0.166CC..EExtended strand (participates in β ladder)trans-94.1117.6172-75.710.8000109V44 K54 T57 M58 L61 F203 A204 T205 T206 V266 F268V44-F46 HydrophobicContact CG1-CD1 3.84Å; V44-F46 HydrophobicContact CG1-CE1 3.52Å; F46-K54 HydrophobicContact CB-CD 4.49Å; F46-T57 HydrophobicContact CE2-CG2 3.86Å; F46-T57 HydrophobicContact CZ-CG2 4.17Å; F46-M58 HydrophobicContact CD2-CE 3.76Å; F46-M58 HydrophobicContact CE2-CE 4.11Å; F46-M58 HydrophobicContact CE2-SD 4.42Å; F46-M58 HydrophobicContact CG-CE 4.41Å; F46-L61 HydrophobicContact CE2-CD1 4.01Å; F46-L61 HydrophobicContact CZ-CD1 3.63Å; F46-F203 AromaticContact CE1-CD1 3.88Å; F46-F203 HydrophobicContact CE1-CD1 3.88Å; F46-F203 AromaticContact CE1-CE1 3.85Å; F46-F203 HydrophobicContact CE1-CE1 3.85Å; F46-F203 HydrophobicContact CE2-CD1 4.31Å; F46-F203 AromaticContact CZ-CD1 3.75Å; F46-F203 HydrophobicContact CZ-CD1 3.75Å; F46-F203 AromaticContact CZ-CE1 3.7Å; F46-F203 HydrophobicContact CZ-CE1 3.7Å; F46-A204 PolarHBondContact N-O 3.08Å; F46-T205 HydrophobicContact CB-CG2 4.22Å; F46-T205 CarbonylContact O-C 3.58Å; F46-T205 WeakPolarHBondContact O-CA 3.43Å; F46-T206 PolarHBondContact O-N 3.27Å; F46-T206 PolarHBondContact O-OG1 3.34Å; F46-V266 HydrophobicContact CD1-CB 3.78Å; F46-V266 HydrophobicContact CD1-CG2 3.95Å; F46-V266 HydrophobicContact CE1-CB 3.9Å; F46-V266 HydrophobicContact CE1-CG1 4.49Å; F46-V266 HydrophobicContact CE1-CG2 3.68Å; F46-F268 HydrophobicContact CB-CD2 4.33Å; F46-F268 HydrophobicContact CB-CE2 3.79Å; F46-F268 AromaticContact CD1-CE2 3.84Å; F46-F268 HydrophobicContact CD1-CE2 3.84Å; F46-F268 HydrophobicContact CD1-CZ 4.38Å; F46-F268 AromaticContact CD2-CE2 3.66Å; F46-F268 HydrophobicContact CD2-CE2 3.66Å; F46-F268 AromaticContact CD2-CZ 3.8Å; F46-F268 HydrophobicContact CD2-CZ 3.8Å; F46-F268 HydrophobicContact CE1-CE2 4.28Å; F46-F268 HydrophobicContact CE1-CZ 4.4Å; F46-F268 HydrophobicContact CE2-CE2 4.13Å; F46-F268 AromaticContact CE2-CZ 3.84Å; F46-F268 HydrophobicContact CE2-CZ 3.84Å; F46-F268 HydrophobicContact CG-CD2 4.48Å; F46-F268 AromaticContact CG-CE2 3.49Å; F46-F268 HydrophobicContact CG-CE2 3.49Å; F46-F268 VanDerWaalsContact CG-CE2 3.49Å; F46-F268 HydrophobicContact CG-CZ 4.08Å; F46-F268 HydrophobicContact CZ-CE2 4.4Å; F46-F268 HydrophobicContact CZ-CZ 4.13Å
47H94.3Very high94.7Very high5 Ų527.3 Ų27.32%0.02316%0.161CC..EExtended strand (participates in β ladder)trans-127141.1-176.6-172.979.2000110.7T206 F249 V266 L267 F268H47-T206 PolarHBondContact ND1-OG1 3.35Å; H47-F249 PolarHBondContact NE2-O 2.79Å; H47-F249 VanDerWaalsContact NE2-O 3.12Å; H47-V266 PolarHBondContact N-O 3.02Å; H47-L267 HydrophobicContact CB-CD2 3.99Å; H47-L267 CarbonylContact O-C 3.45Å; H47-L267 WeakPolarHBondContact O-CA 3.39Å; H47-F268 PolarHBondContact O-N 3.17Å
48G91.4Very high94.9Very high2 Ų227.1 Ų27.12%0.02116%0.159CC..EExtended strand (participates in β ladder)trans159.9165.2179.900000112K54 A208 F268G48-K54 PolarHBondContact O-NZ 3.01Å; G48-A208 VanDerWaalsContact O-CB 3.31Å; G48-A208 WeakPolarHBondContact O-CB 3.44Å; G48-F268 WeakPolarHBondContact CA-O 3.4Å
49T90.1Very high95Very high48 Ų4827.4 Ų27.429%0.29416%0.16SC..  trans-63.2160.5179.657.70000111.9S52 K54 A208 F249T49-S52 WeakPolarHBondContact O-CB 3.41Å; T49-S52 PolarHBondContact O-N 2.64Å; T49-S52 PolarHBondContact O-OG 3.34Å; T49-K54 PolarHBondContact O-NZ 2.81Å; T49-A208 HydrophobicContact CG2-CB 4.21Å; T49-F249 HydrophobicContact CG2-CD2 3.72Å; T49-F249 HydrophobicContact CG2-CE2 3.65Å; T49-F249 HydrophobicContact CG2-CG 4.3Å; T49-F249 HydrophobicContact CG2-CZ 4.14Å
50E89.4Confident95.2Very high179 Ų17924.9 Ų24.984%0.83615%0.147SC*.THydrogen-bonded Turntrans-54.1144.2170.4-164.5-177160.200110.8S52E50-S52 PolarHBondContact O-N 3.48Å
51G91.3Very high95.4Very high52 Ų5222.4 Ų22.454%0.53614%0.135SC..THydrogen-bonded Turntrans67.115.3-178.200000115.3G53 F281G51-G53 VanDerWaalsContact C-N 3.28Å; G51-G53 PolarHBondContact O-N 2.9Å; G51-F281 VanDerWaalsContact O-CE1 3.31Å; G51-F281 WeakPolarHBondContact O-CE1 3.34Å
52S93.4Very high95.6Very high0 Ų021.1 Ų21.10%012%0.122CC..SBendtrans-83.95.1176.373.30000114.6T49 E50 F268 F281T49-S52 WeakPolarHBondContact O-CB 3.41Å; T49-S52 PolarHBondContact O-N 2.64Å; T49-S52 PolarHBondContact O-OG 3.34Å; E50-S52 PolarHBondContact O-N 3.48Å; S52-F268 VanDerWaalsContact OG-CB 3.28Å; S52-F268 WeakPolarHBondContact OG-CB 3.41Å; S52-F281 WeakPolarHBondContact O-CD1 3.39Å
53G94.4Very high95.6Very high8 Ų820 Ų208%0.08212%0.116CC..SBendtrans923.4179.400000116.3G51 T55 E56 T57G51-G53 VanDerWaalsContact C-N 3.28Å; G51-G53 PolarHBondContact O-N 2.9Å; G53-T55 PolarHBondContact O-N 2.79Å; G53-E56 PolarHBondContact O-N 2.74Å; G53-T57 PolarHBondContact O-N 3.16Å; G53-T57 PolarHBondContact O-OG1 3.07Å; G53-T57 VanDerWaalsContact O-OG1 3.11Å
54K95.7Very high95.5Very high20 Ų2022.1 Ų22.19%0.08713%0.126CC..Hα-helixtrans-53-54.3-178.8-64.7-175.6-58.1-68.30113.3F46 G48 T49 E56 T57 M58 F268F46-K54 HydrophobicContact CB-CD 4.49Å; G48-K54 PolarHBondContact O-NZ 3.01Å; T49-K54 PolarHBondContact O-NZ 2.81Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-T57 PolarHBondContact O-N 3.19Å; K54-M58 PolarHBondContact O-N 2.9Å; K54-F268 HydrophobicContact CG-CB 4.02Å; K54-F268 HydrophobicContact CG-CD2 3.74Å; K54-F268 HydrophobicContact CG-CE2 4.33Å; K54-F268 HydrophobicContact CG-CG 3.84Å
55T95.6Very high95.4Very high41 Ų4122.1 Ų22.125%0.25213%0.126SC..Hα-helixtrans-67.4-36.6-177.2-51.30000111.4G53 M58 Y59G53-T55 PolarHBondContact O-N 2.79Å; T55-M58 CarbonylContact O-C 3.5Å; T55-M58 WeakPolarHBondContact O-CA 3.18Å; T55-M58 VanDerWaalsContact O-CB 3.3Å; T55-M58 WeakPolarHBondContact O-CB 3.32Å; T55-M58 PolarHBondContact O-N 3.28Å; T55-M58 VanDerWaalsContact O-N 3.12Å; T55-Y59 HydrophobicContact CG2-CE1 3.98Å; T55-Y59 HydrophobicContact CG2-CE2 3.94Å; T55-Y59 PolarHBondContact O-N 3.2Å
56E97.1Very high95.4Very high37 Ų3722 Ų2217%0.17313%0.125CC..Hα-helixtrans-64.8-41.7174.8-73-69.7146.200112.1G53 K54 M58 Y59 H60 R91 V300 V305G53-E56 PolarHBondContact O-N 2.74Å; K54-E56 VanDerWaalsContact C-N 3.35Å; E56-M58 VanDerWaalsContact C-N 3.31Å; E56-M58 PolarHBondContact O-N 2.72Å; E56-Y59 PolarHBondContact O-N 3.46Å; E56-H60 PolarHBondContact O-N 3.22Å; E56-R91 IonicContact OE1-CZ 3.85Å; E56-R91 IonicContact OE1-NE 3.42Å; E56-R91 PolarHBondContact OE1-NE 3.38Å; E56-R91 IonicContact OE1-NH2 3.68Å; E56-R91 IonicContact OE2-CZ 3.43Å; E56-R91 IonicContact OE2-NE 3.62Å; E56-R91 PolarHBondContact OE2-NE 2.9Å; E56-R91 IonicContact OE2-NH2 2.9Å; E56-R91 PolarHBondContact OE2-NH2 3.35Å; E56-V300 HydrophobicContact CB-CG1 4.21Å; E56-V300 HydrophobicContact CB-CG2 3.82Å; E56-V300 HydrophobicContact CG-CB 4.49Å; E56-V300 HydrophobicContact CG-CG1 3.68Å; E56-V300 HydrophobicContact CG-CG2 3.95Å; E56-V300 VanDerWaalsContact OE2-CG1 3.31Å; E56-V300 WeakPolarHBondContact OE2-CG1 3.48Å; E56-V305 HydrophobicContact CB-CG2 4.34Å
57T97.6Very high95.4Very high0 Ų022.4 Ų22.40%013%0.127CC..Hα-helixtrans-64.7-36.7170.9-56.80000111.7I31 F46 G53 K54 H60 L61 F268I31-T57 HydrophobicContact CD1-CG2 3.33Å; F46-T57 HydrophobicContact CE2-CG2 3.86Å; F46-T57 HydrophobicContact CZ-CG2 4.17Å; G53-T57 PolarHBondContact O-N 3.16Å; G53-T57 PolarHBondContact O-OG1 3.07Å; G53-T57 VanDerWaalsContact O-OG1 3.11Å; K54-T57 PolarHBondContact O-N 3.19Å; T57-H60 WeakPolarHBondContact O-CB 3.13Å; T57-H60 PolarHBondContact O-N 3.08Å; T57-L61 HydrophobicContact CG2-CD1 4.38Å; T57-L61 VanDerWaalsContact O-CG 3.29Å; T57-L61 WeakPolarHBondContact O-CG 3.25Å; T57-L61 PolarHBondContact O-N 2.89Å; T57-F268 HydrophobicContact CG2-CE1 4.05Å; T57-F268 HydrophobicContact CG2-CZ 3.92Å; T57-F268 WeakPolarHBondContact OG1-CE1 3.26Å
58M97.4Very high95.3Very high0 Ų023.3 Ų23.30%013%0.134CC..Hα-helixtrans-61.5-46.3173.6-160.468.67500111.4F46 K54 T55 E56 H60 L61 V62 Y80 V158 F203 T205F46-M58 HydrophobicContact CD2-CE 3.76Å; F46-M58 HydrophobicContact CE2-CE 4.11Å; F46-M58 HydrophobicContact CE2-SD 4.42Å; F46-M58 HydrophobicContact CG-CE 4.41Å; K54-M58 PolarHBondContact O-N 2.9Å; T55-M58 CarbonylContact O-C 3.5Å; T55-M58 WeakPolarHBondContact O-CA 3.18Å; T55-M58 VanDerWaalsContact O-CB 3.3Å; T55-M58 WeakPolarHBondContact O-CB 3.32Å; T55-M58 PolarHBondContact O-N 3.28Å; T55-M58 VanDerWaalsContact O-N 3.12Å; E56-M58 VanDerWaalsContact C-N 3.31Å; E56-M58 PolarHBondContact O-N 2.72Å; M58-H60 VanDerWaalsContact C-N 3.32Å; M58-H60 PolarHBondContact O-N 2.66Å; M58-L61 PolarHBondContact O-N 2.89Å; M58-V62 HydrophobicContact CG-CG2 4.39Å; M58-V62 WeakPolarHBondContact O-CB 3.39Å; M58-V62 VanDerWaalsContact O-CG2 3.27Å; M58-V62 WeakPolarHBondContact O-CG2 3.27Å; M58-V62 PolarHBondContact O-N 3.18Å; M58-Y80 HydrophobicContact CG-CE2 3.87Å; M58-V158 HydrophobicContact CE-CG1 3.84Å; M58-V158 HydrophobicContact CG-CG1 3.66Å; M58-V158 HydrophobicContact SD-CB 4.4Å; M58-V158 HydrophobicContact SD-CG1 3.51Å; M58-V158 VanDerWaalsContact SD-CG1 3.51Å; M58-V158 HydrophobicContact SD-CG2 3.99Å; M58-F203 HydrophobicContact CE-CB 4.12Å; M58-F203 HydrophobicContact SD-CB 3.95Å; M58-F203 HydrophobicContact SD-CD1 4.22Å; M58-F203 HydrophobicContact SD-CG 4.49Å; M58-T205 HydrophobicContact CE-CG2 3.56Å
59Y97.8Very high95.3Very high6 Ų625.5 Ų25.52%0.02415%0.152CC..Hα-helixtrans-61.8-38.2175.7-67.9-18000113.1T55 E56 T63 H86 F87 D88 R91 L92T55-Y59 HydrophobicContact CG2-CE1 3.98Å; T55-Y59 HydrophobicContact CG2-CE2 3.94Å; T55-Y59 PolarHBondContact O-N 3.2Å; E56-Y59 PolarHBondContact O-N 3.46Å; Y59-T63 WeakPolarHBondContact O-CB 3.42Å; Y59-T63 PolarHBondContact O-N 2.95Å; Y59-T63 PolarHBondContact O-OG1 2.91Å; Y59-H86 PolarHBondContact OH-O 3.32Å; Y59-F87 AromaticContact CE1-CD2 3.82Å; Y59-F87 HydrophobicContact CE1-CD2 3.82Å; Y59-F87 AromaticContact CE1-CE2 3.9Å; Y59-F87 HydrophobicContact CE1-CE2 3.9Å; Y59-F87 WeakPolarHBondContact OH-CA 3.49Å; Y59-D88 PolarHBondContact OH-N 3.32Å; Y59-R91 HydrophobicContact CD2-CB 4.43Å; Y59-R91 HydrophobicContact CD2-CG 3.73Å; Y59-R91 HydrophobicContact CE2-CB 4.03Å; Y59-R91 HydrophobicContact CE2-CG 3.66Å; Y59-L92 HydrophobicContact CD1-CD1 3.87Å; Y59-L92 HydrophobicContact CG-CD1 3.99Å
60H97.1Very high95.2Very high14 Ų1429.5 Ų29.57%0.06517%0.171CC..Hα-helixtrans-59.8-47.4173.2173.678.3000111.6E28 E56 T57 M58 H64 R99 V305E28-H60 IonicContact OE2-CD2 3.69Å; E28-H60 IonicContact OE2-CE1 3.99Å; E28-H60 IonicContact OE2-NE2 3.24Å; E28-H60 PolarHBondContact OE2-NE2 2.96Å; E56-H60 PolarHBondContact O-N 3.22Å; T57-H60 WeakPolarHBondContact O-CB 3.13Å; T57-H60 PolarHBondContact O-N 3.08Å; M58-H60 VanDerWaalsContact C-N 3.32Å; M58-H60 PolarHBondContact O-N 2.66Å; H60-H64 PolarHBondContact O-N 2.91Å; H60-R99 PolarHBondContact CE1-NH2 3.21Å; H60-R99 PolarHBondContact ND1-NH2 3.11Å; H60-R99 VanDerWaalsContact ND1-NH2 3.17Å; H60-V305 HydrophobicContact CB-CB 3.91Å; H60-V305 HydrophobicContact CB-CG2 3.99Å
61L97.5Very high95.1Very high1 Ų124 Ų241%0.00514%0.142CC..Hα-helixtrans-67.8-44.3178.6-65.1173.2000112.8I27 E28 F46 T57 M58 T63 H64 C65 F203I27-L61 HydrophobicContact CD1-CB 4.32Å; I27-L61 HydrophobicContact CD1-CD2 4.18Å; I27-L61 HydrophobicContact CG1-CD2 3.99Å; I27-L61 HydrophobicContact CG2-CD2 4.43Å; E28-L61 HydrophobicContact CB-CD2 3.53Å; E28-L61 HydrophobicContact CG-CD2 4.3Å; F46-L61 HydrophobicContact CE2-CD1 4.01Å; F46-L61 HydrophobicContact CZ-CD1 3.63Å; T57-L61 HydrophobicContact CG2-CD1 4.38Å; T57-L61 VanDerWaalsContact O-CG 3.29Å; T57-L61 WeakPolarHBondContact O-CG 3.25Å; T57-L61 PolarHBondContact O-N 2.89Å; M58-L61 PolarHBondContact O-N 2.89Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-T63 PolarHBondContact O-N 3.15Å; L61-H64 PolarHBondContact O-N 3.04Å; L61-C65 PolarHBondContact O-N 3.01Å; L61-C65 PolarHBondContact O-SG 3.5Å; L61-F203 HydrophobicContact CD1-CD1 3.89Å; L61-F203 HydrophobicContact CD1-CE1 3.38Å; L61-F203 HydrophobicContact CD1-CZ 4.2Å
62V98.1Very high94.9Very high0 Ų023.9 Ų23.90%014%0.142CC..Hα-helixtrans-60.9-45.2177.2171.40000110.1M58 H64 C65 I66 V78 Y80 L92 L126 V158M58-V62 HydrophobicContact CG-CG2 4.39Å; M58-V62 WeakPolarHBondContact O-CB 3.39Å; M58-V62 VanDerWaalsContact O-CG2 3.27Å; M58-V62 WeakPolarHBondContact O-CG2 3.27Å; M58-V62 PolarHBondContact O-N 3.18Å; V62-H64 PolarHBondContact O-N 3.29Å; V62-C65 WeakPolarHBondContact O-CB 3.42Å; V62-C65 PolarHBondContact O-N 3.22Å; V62-I66 WeakPolarHBondContact O-CG1 3.41Å; V62-I66 PolarHBondContact O-N 2.84Å; V62-V78 HydrophobicContact CG1-CG1 4.42Å; V62-V78 HydrophobicContact CG2-CG1 4.24Å; V62-Y80 HydrophobicContact CG2-CD2 4.24Å; V62-Y80 HydrophobicContact CG2-CE2 4.48Å; V62-L92 HydrophobicContact CB-CD1 4.36Å; V62-L92 HydrophobicContact CG1-CD1 4.2Å; V62-L92 HydrophobicContact CG1-CD2 4.28Å; V62-L126 HydrophobicContact CG1-CD1 3.88Å; V62-V158 HydrophobicContact CG2-CG2 4.1Å
63T97.3Very high94.9Very high2 Ų224.3 Ų24.31%0.01215%0.146CC..Hα-helixtrans-57-48.7175-62.80000111Y59 L61 C65 I66 L67 V95 L96 R99Y59-T63 WeakPolarHBondContact O-CB 3.42Å; Y59-T63 PolarHBondContact O-N 2.95Å; Y59-T63 PolarHBondContact O-OG1 2.91Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-T63 PolarHBondContact O-N 3.15Å; T63-C65 VanDerWaalsContact C-N 3.31Å; T63-C65 PolarHBondContact O-N 3.09Å; T63-I66 PolarHBondContact O-N 3.27Å; T63-L67 VanDerWaalsContact O-CB 3.27Å; T63-L67 WeakPolarHBondContact O-CB 3.37Å; T63-L67 PolarHBondContact O-N 3.49Å; T63-V95 HydrophobicContact CG2-CG1 4.25Å; T63-L96 HydrophobicContact CG2-CB 4.21Å; T63-L96 HydrophobicContact CG2-CD1 3.93Å; T63-R99 HydrophobicContact CG2-CB 4.43Å; T63-R99 HydrophobicContact CG2-CG 4.05Å
64H96.4Very high94.9Very high46 Ų4625.5 Ų25.521%0.21315%0.15CC..Hα-helixtrans-60.6-39.2177.8-177.365.9000112.4I27 H60 L61 V62 G72 G73 L74I27-H64 PolarHBondContact O-CD2 3.42Å; I27-H64 VanDerWaalsContact O-CD2 3.22Å; H60-H64 PolarHBondContact O-N 2.91Å; L61-H64 PolarHBondContact O-N 3.04Å; V62-H64 PolarHBondContact O-N 3.29Å; H64-G72 PolarHBondContact CE1-O 2.8Å; H64-G72 PolarHBondContact ND1-O 3.06Å; H64-G73 CarbonylContact O-C 3.58Å; H64-G73 VanDerWaalsContact O-CA 3.26Å; H64-G73 WeakPolarHBondContact O-CA 3.32Å; H64-L74 PolarHBondContact O-N 2.93Å
65C97.4Very high94.8Very high0 Ų028.8 Ų28.80%017%0.166CC..Hα-helixtrans-61.6-48.5175.2-79.60000113.1I27 L61 V62 T63 L67 E75 V76 V78I27-C65 VanDerWaalsContact CD1-SG 3.53Å; L61-C65 PolarHBondContact O-N 3.01Å; L61-C65 PolarHBondContact O-SG 3.5Å; V62-C65 WeakPolarHBondContact O-CB 3.42Å; V62-C65 PolarHBondContact O-N 3.22Å; T63-C65 VanDerWaalsContact C-N 3.31Å; T63-C65 PolarHBondContact O-N 3.09Å; C65-L67 VanDerWaalsContact C-N 3.33Å; C65-E75 PolarHBondContact O-N 3.15Å; C65-V76 HydrophobicContact CB-CG2 3.62Å; C65-V76 PolarHBondContact O-N 3.25Å; C65-V78 HydrophobicContact CB-CG2 3.58Å
66I97.5Very high94.8Very high0 Ų026.9 Ų26.90%015%0.154CC..Hα-helixtrans-86.1-2.8-174.170.7178.1000113.5V62 T63 V78 L92 L96 C122 L123 R125 L126V62-I66 WeakPolarHBondContact O-CG1 3.41Å; V62-I66 PolarHBondContact O-N 2.84Å; T63-I66 PolarHBondContact O-N 3.27Å; I66-V78 HydrophobicContact CG2-CB 4.37Å; I66-V78 HydrophobicContact CG2-CG2 3.79Å; I66-L92 HydrophobicContact CD1-CD2 4.49Å; I66-L96 HydrophobicContact CD1-CD2 4.37Å; I66-C122 HydrophobicContact CD1-CB 4.48Å; I66-C122 HydrophobicContact CG1-CB 4.36Å; I66-C122 WeakPolarHBondContact O-CB 3.31Å; I66-L123 HydrophobicContact CD1-CD2 4.44Å; I66-R125 HydrophobicContact CB-CB 4.17Å; I66-R125 HydrophobicContact CG2-CB 4.03Å; I66-R125 PolarHBondContact O-NE 3.02Å; I66-R125 PolarHBondContact O-NH2 2.69Å; I66-L126 HydrophobicContact CG2-CB 4.45Å
67L95.4Very high94.8Very high10 Ų1026 Ų265%0.05215%0.15CC..SBendtrans-77.9146.5177-171.873.2000110.4T63 C65 R71 G73 L74 E75 L96 L100T63-L67 VanDerWaalsContact O-CB 3.27Å; T63-L67 WeakPolarHBondContact O-CB 3.37Å; T63-L67 PolarHBondContact O-N 3.49Å; C65-L67 VanDerWaalsContact C-N 3.33Å; L67-R71 HydrophobicContact CD1-CB 4.46Å; L67-R71 HydrophobicContact CD2-CB 4.26Å; L67-R71 VanDerWaalsContact CD2-O 3.23Å; L67-R71 WeakPolarHBondContact CD2-O 3.24Å; L67-R71 HydrophobicContact CG-CB 4.14Å; L67-G73 CarbonylContact O-C 3.57Å; L67-G73 WeakPolarHBondContact O-CA 3.26Å; L67-L74 PolarHBondContact O-N 2.95Å; L67-E75 WeakPolarHBondContact O-CA 3.17Å; L67-E75 PolarHBondContact O-N 3.46Å; L67-L96 HydrophobicContact CD1-CD1 4.09Å; L67-L100 HydrophobicContact CD1-CD2 3.52Å; L67-L100 HydrophobicContact CD1-CG 3.84Å
68P93.1Very high94.9Very high24 Ų2426 Ų2616%0.15615%0.15CC..  trans-59.1147.7175.6-26.437.5000113.3D70 R71 G73P68-D70 WeakPolarHBondContact CB-OD1 3.22Å; P68-D70 PolarHBondContact O-N 2.92Å; P68-R71 HydrophobicContact CB-CB 4.43Å; P68-R71 HydrophobicContact CB-CG 4.32Å; P68-R71 CarbonylContact O-C 3.52Å; P68-R71 PolarHBondContact O-N 3.22Å; P68-R71 VanDerWaalsContact O-N 3.11Å; P68-G73 WeakPolarHBondContact O-CA 3.13Å; P68-G73 PolarHBondContact O-N 3.38Å
69A91Very high94.9Very high48 Ų4826.4 Ų26.440%0.39715%0.153SC..G310 helixtrans-68.7-32.9-17600000113.7R71 G72 G73 E75A69-R71 PolarHBondContact O-N 3.25Å; A69-G72 PolarHBondContact O-N 3.28Å; A69-G72 VanDerWaalsContact O-N 3.13Å; A69-G73 WeakPolarHBondContact CA-O 3.27Å; A69-E75 HydrophobicContact CB-CB 4.29Å
70D88Confident95Very high131 Ų13126.1 Ų26.170%0.70115%0.151SC*.G310 helixtrans-67.9-16.6173.164.3-29.1000113.1P68P68-D70 WeakPolarHBondContact CB-OD1 3.22Å; P68-D70 PolarHBondContact O-N 2.92Å
71R87.2Confident95Very high63 Ų6325.5 Ų25.524%0.23815%0.148CC..G310 helixtrans-10320.5172.6-59.2-67178.3177.6-6.6112.5L67 P68 A69 G73 D103 E107L67-R71 HydrophobicContact CD1-CB 4.46Å; L67-R71 HydrophobicContact CD2-CB 4.26Å; L67-R71 VanDerWaalsContact CD2-O 3.23Å; L67-R71 WeakPolarHBondContact CD2-O 3.24Å; L67-R71 HydrophobicContact CG-CB 4.14Å; P68-R71 HydrophobicContact CB-CB 4.43Å; P68-R71 HydrophobicContact CB-CG 4.32Å; P68-R71 CarbonylContact O-C 3.52Å; P68-R71 PolarHBondContact O-N 3.22Å; P68-R71 VanDerWaalsContact O-N 3.11Å; A69-R71 PolarHBondContact O-N 3.25Å; R71-G73 VanDerWaalsContact C-N 3.28Å; R71-G73 PolarHBondContact O-N 3.24Å; R71-D103 WeakPolarHBondContact CD-OD2 3.34Å; R71-D103 IonicContact NH1-OD2 3.99Å; R71-E107 IonicContact NH2-OE2 3.53Å
72G87.9Confident95.1Very high51 Ų5125.5 Ų25.553%0.52615%0.148SC..THydrogen-bonded Turntrans73.515.2178.700000114.7H64 A69H64-G72 PolarHBondContact CE1-O 2.8Å; H64-G72 PolarHBondContact ND1-O 3.06Å; A69-G72 PolarHBondContact O-N 3.28Å; A69-G72 VanDerWaalsContact O-N 3.13Å
73G93.2Very high95Very high9 Ų925.7 Ų25.79%0.09315%0.149CC..  trans-88.3-175.6170.200000113.6H64 L67 P68 A69 R71H64-G73 CarbonylContact O-C 3.58Å; H64-G73 VanDerWaalsContact O-CA 3.26Å; H64-G73 WeakPolarHBondContact O-CA 3.32Å; L67-G73 CarbonylContact O-C 3.57Å; L67-G73 WeakPolarHBondContact O-CA 3.26Å; P68-G73 WeakPolarHBondContact O-CA 3.13Å; P68-G73 PolarHBondContact O-N 3.38Å; A69-G73 WeakPolarHBondContact CA-O 3.27Å; R71-G73 VanDerWaalsContact C-N 3.28Å; R71-G73 PolarHBondContact O-N 3.24Å
74L94Very high94.7Very high32 Ų3227.7 Ų27.717%0.16816%0.16CC..  trans-102-14.4177.5-59.1178.5000113.8R22 L24 I27 H64 L67 V76R22-L74 PolarHBondContact NE-O 3.4Å; R22-L74 PolarHBondContact NH2-O 3.08Å; L24-L74 HydrophobicContact CD2-CD1 3.61Å; I27-L74 HydrophobicContact CB-CD1 4.35Å; I27-L74 HydrophobicContact CG1-CD1 4.04Å; H64-L74 PolarHBondContact O-N 2.93Å; L67-L74 PolarHBondContact O-N 2.95Å; L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 HydrophobicContact CB-CG1 4.19Å; L74-V76 HydrophobicContact CB-CG2 4.14Å; L74-V76 WeakPolarHBondContact O-CG1 3.41Å; L74-V76 PolarHBondContact O-N 3.24Å
75E94.4Very high94.5Very high89 Ų8932 Ų3242%0.41618%0.176SC..  trans53.345-179.5170.2145128.300112.2C65 L67 A69 R125C65-E75 PolarHBondContact O-N 3.15Å; L67-E75 WeakPolarHBondContact O-CA 3.17Å; L67-E75 PolarHBondContact O-N 3.46Å; A69-E75 HydrophobicContact CB-CB 4.29Å; E75-R125 IonicContact OE2-CZ 3.73Å; E75-R125 IonicContact OE2-NH1 2.73Å; E75-R125 PolarHBondContact OE2-NH1 3.14Å
76V95.6Very high94.3Very high1 Ų138 Ų381%0.00620%0.203CC..  trans-115.6157.7178.2-59.70000111.1R22 L24 C65 L74 C155R22-V76 HydrophobicContact CB-CG1 3.52Å; R22-V76 HydrophobicContact CG-CG1 3.85Å; L24-V76 HydrophobicContact CD2-CG2 4.33Å; C65-V76 HydrophobicContact CB-CG2 3.62Å; C65-V76 PolarHBondContact O-N 3.25Å; L74-V76 VanDerWaalsContact C-N 3.27Å; L74-V76 HydrophobicContact CB-CG1 4.19Å; L74-V76 HydrophobicContact CB-CG2 4.14Å; L74-V76 WeakPolarHBondContact O-CG1 3.41Å; L74-V76 PolarHBondContact O-N 3.24Å; V76-C155 HydrophobicContact CB-CB 4.18Å; V76-C155 HydrophobicContact CG1-CB 4.32Å; V76-C155 HydrophobicContact CG2-CB 4.46Å
77E97.6Very high94.3Very high19 Ų1939.4 Ų39.49%0.08921%0.209CC..EExtended strand (participates in β ladder)trans-87149.2174-59.5176.7148.900111.4R125 F127 R151 T153 L154 C155E77-R125 CarbonylContact C-O 3.08Å; E77-R125 WeakPolarHBondContact CA-O 3.46Å; E77-R125 WeakPolarHBondContact CB-O 3.27Å; E77-R125 HydrophobicContact CG-CB 4.06Å; E77-R125 HydrophobicContact CG-CG 4.18Å; E77-F127 HydrophobicContact CB-CE2 4.15Å; E77-F127 HydrophobicContact CG-CE2 4.33Å; E77-R151 IonicContact OE1-CZ 3.81Å; E77-R151 IonicContact OE1-NE 3.76Å; E77-R151 PolarHBondContact OE1-NE 3.2Å; E77-R151 IonicContact OE1-NH2 2.72Å; E77-R151 PolarHBondContact OE1-NH2 2.8Å; E77-R151 IonicContact OE2-CZ 3.9Å; E77-R151 IonicContact OE2-NE 2.92Å; E77-R151 PolarHBondContact OE2-NE 2.87Å; E77-R151 IonicContact OE2-NH2 3.82Å; E77-T153 PolarHBondContact N-O 3.35Å; E77-T153 PolarHBondContact OE2-OG1 3.34Å; E77-L154 HydrophobicContact CB-CB 4.14Å; E77-L154 HydrophobicContact CB-CD1 3.87Å; E77-L154 WeakPolarHBondContact O-CD1 3.5Å; E77-C155 PolarHBondContact O-N 3Å; E77-C155 VanDerWaalsContact O-N 3.15Å
78V98.5Very high94.4Very high0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-130132.5-176.7-176.70000109.9V62 C65 I66 R125 L126 F127 L156 V158V62-V78 HydrophobicContact CG1-CG1 4.42Å; V62-V78 HydrophobicContact CG2-CG1 4.24Å; C65-V78 HydrophobicContact CB-CG2 3.58Å; I66-V78 HydrophobicContact CG2-CB 4.37Å; I66-V78 HydrophobicContact CG2-CG2 3.79Å; V78-R125 PolarHBondContact N-O 2.88Å; V78-L126 HydrophobicContact CB-CD1 4.07Å; V78-L126 HydrophobicContact CG1-CD1 4.19Å; V78-F127 PolarHBondContact O-N 2.89Å; V78-L156 WeakPolarHBondContact CA-O 3.27Å; V78-L156 HydrophobicContact CG1-CB 4.31Å; V78-L156 HydrophobicContact CG1-CD2 3.99Å; V78-L156 HydrophobicContact CG1-CG 4.1Å; V78-L156 HydrophobicContact CG2-CB 4.23Å; V78-L156 HydrophobicContact CG2-CD2 4.12Å; V78-V158 HydrophobicContact CG1-CG2 4.05Å
79M98.6Very high94.5Very high9 Ų944.8 Ų44.84%0.04424%0.236CC..EExtended strand (participates in β ladder)trans-102.6116.5167.8175.165.565.600108.3V81 F127 V129 L144 T147 L154 L156 L157 V158M79-V81 HydrophobicContact CG-CG2 4.24Å; M79-F127 CarbonylContact C-O 3.54Å; M79-F127 WeakPolarHBondContact CA-O 3.09Å; M79-F127 HydrophobicContact CE-CB 3.7Å; M79-F127 HydrophobicContact CE-CG 4.32Å; M79-F127 HydrophobicContact SD-CB 3.89Å; M79-V129 HydrophobicContact SD-CG2 3.75Å; M79-L144 HydrophobicContact CE-CD2 3.4Å; M79-L144 HydrophobicContact CG-CD1 4.03Å; M79-L144 HydrophobicContact CG-CD2 3.83Å; M79-L144 HydrophobicContact SD-CD2 3.94Å; M79-T147 HydrophobicContact CE-CG2 4.29Å; M79-L154 HydrophobicContact CB-CD1 4Å; M79-L154 HydrophobicContact CB-CD2 4.4Å; M79-L156 PolarHBondContact N-O 3.38Å; M79-L157 HydrophobicContact CB-CD1 3.95Å; M79-L157 HydrophobicContact CG-CD1 3.62Å; M79-L157 CarbonylContact O-C 3.56Å; M79-L157 WeakPolarHBondContact O-CA 3.27Å; M79-V158 PolarHBondContact O-N 2.73Å
80Y98.7Very high94.8Very high0 Ų049 Ų490%025%0.251CS..EExtended strand (participates in β ladder)trans-104.9114.2176.6-160.8-73000109.8M58 V62 D82 F87 F127 V128 V129 V158 D160M58-Y80 HydrophobicContact CG-CE2 3.87Å; V62-Y80 HydrophobicContact CG2-CD2 4.24Å; V62-Y80 HydrophobicContact CG2-CE2 4.48Å; Y80-D82 HydrophobicContact CD1-CB 4.08Å; Y80-D82 HydrophobicContact CE1-CB 3.98Å; Y80-F87 AromaticContact CD1-CD2 3.87Å; Y80-F87 HydrophobicContact CD1-CD2 3.87Å; Y80-F87 HydrophobicContact CD1-CG 4.45Å; Y80-F87 HydrophobicContact CD2-CD2 4.23Å; Y80-F87 HydrophobicContact CD2-CE2 4.25Å; Y80-F87 HydrophobicContact CE1-CB 4.19Å; Y80-F87 AromaticContact CE1-CD2 3.72Å; Y80-F87 HydrophobicContact CE1-CD2 3.72Å; Y80-F87 HydrophobicContact CE1-CG 4.33Å; Y80-F87 HydrophobicContact CE2-CD2 4.06Å; Y80-F87 HydrophobicContact CE2-CE2 4.33Å; Y80-F87 HydrophobicContact CG-CD2 4.13Å; Y80-F87 HydrophobicContact CG-CE2 4.33Å; Y80-F87 AromaticContact CZ-CD2 3.82Å; Y80-F127 PolarHBondContact N-O 3.17Å; Y80-V128 CarbonylContact O-C 3.56Å; Y80-V128 WeakPolarHBondContact O-CA 3.29Å; Y80-V129 PolarHBondContact O-N 3.31Å; Y80-V158 HydrophobicContact CD2-CB 3.74Å; Y80-V158 HydrophobicContact CD2-CG1 3.62Å; Y80-V158 HydrophobicContact CD2-CG2 4.25Å; Y80-V158 HydrophobicContact CE2-CB 4.15Å; Y80-V158 HydrophobicContact CE2-CG1 3.48Å; Y80-V158 VanDerWaalsContact CE2-CG1 3.48Å; Y80-V158 HydrophobicContact CG-CB 4.2Å; Y80-V158 HydrophobicContact CG-CG1 4.24Å; Y80-D160 HydrophobicContact CE1-CB 3.78Å; Y80-D160 VanDerWaalsContact OH-CB 3.25Å; Y80-D160 WeakPolarHBondContact OH-CB 3.34Å; Y80-D160 PolarHBondContact OH-OD2 2.95Å
81V98.6Very high95.3Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-100.4107173.4-175.60000108.4M79 T83 V129 C131 L137 T140 L157 V158 I159 D160M79-V81 HydrophobicContact CG-CG2 4.24Å; V81-T83 HydrophobicContact CG1-CG2 4.32Å; V81-V129 CarbonylContact C-O 3.57Å; V81-V129 WeakPolarHBondContact CA-O 3.35Å; V81-C131 HydrophobicContact CG1-CB 4.42Å; V81-L137 HydrophobicContact CG1-CD1 3.69Å; V81-T140 HydrophobicContact CG2-CG2 4.3Å; V81-L157 HydrophobicContact CG2-CD1 3.89Å; V81-V158 PolarHBondContact N-O 2.86Å; V81-I159 HydrophobicContact CB-CG1 4.48Å; V81-I159 WeakPolarHBondContact O-CA 3.29Å; V81-D160 PolarHBondContact O-N 2.72Å
82D98.1Very high95.8Very high1 Ų141.9 Ų41.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-94118.3176.6177.812.4000109.2Y80 D84 Y85 H86 F87 V129 H130 C131Y80-D82 HydrophobicContact CD1-CB 4.08Å; Y80-D82 HydrophobicContact CE1-CB 3.98Å; D82-D84 PolarHBondContact OD1-N 2.57Å; D82-D84 VanDerWaalsContact OD1-N 3.12Å; D82-Y85 WeakPolarHBondContact OD1-CA 3.31Å; D82-Y85 PolarHBondContact OD1-N 3.14Å; D82-Y85 WeakPolarHBondContact OD2-CA 3.48Å; D82-Y85 PolarHBondContact OD2-N 3.3Å; D82-H86 PolarHBondContact OD1-N 3.03Å; D82-H86 PolarHBondContact OD2-N 3.11Å; D82-F87 HydrophobicContact CB-CB 4.05Å; D82-F87 VanDerWaalsContact OD2-CB 3.26Å; D82-F87 WeakPolarHBondContact OD2-CB 3.49Å; D82-F87 PolarHBondContact OD2-N 3.14Å; D82-F87 VanDerWaalsContact OD2-N 3.08Å; D82-V129 PolarHBondContact N-O 2.9Å; D82-H130 CarbonylContact O-C 3.3Å; D82-H130 VanDerWaalsContact O-CA 3.25Å; D82-H130 WeakPolarHBondContact O-CA 3.2Å; D82-H130 IonicContact OD2-CE1 3.83Å; D82-H130 PolarHBondContact OD2-CE1 2.94Å; D82-H130 IonicContact OD2-ND1 3.13Å; D82-H130 PolarHBondContact OD2-ND1 2.84Å; D82-H130 VanDerWaalsContact OD2-ND1 3.1Å; D82-C131 PolarHBondContact O-N 2.78Å
83T97.5Very high96.2Very high4 Ų440.8 Ų40.83%0.02520%0.197CC..SBendtrans-103.1-13.3-178.664.80000113.1V81 C131 L137 I159 D160 S161 A164 F165V81-T83 HydrophobicContact CG1-CG2 4.32Å; T83-C131 CarbonylContact C-O 3.59Å; T83-C131 WeakPolarHBondContact CA-O 3.37Å; T83-C131 HydrophobicContact CG2-CB 4.35Å; T83-L137 HydrophobicContact CG2-CD1 4.4Å; T83-L137 HydrophobicContact CG2-CD2 4.39Å; T83-I159 HydrophobicContact CG2-CG2 4.36Å; T83-D160 PolarHBondContact N-O 2.83Å; T83-D160 PolarHBondContact OG1-O 2.84Å; T83-S161 PolarHBondContact OG1-N 3.23Å; T83-S161 PolarHBondContact OG1-O 2.87Å; T83-A164 WeakPolarHBondContact OG1-CB 3.27Å; T83-F165 HydrophobicContact CG2-CE2 3.94Å; T83-F165 HydrophobicContact CG2-CZ 4.36Å
84D89.4Confident96.4Very high45 Ų4542.3 Ų42.324%0.24121%0.205CC..SBendtrans-116.82-173.3-64.8-55.6000111.9D82 H86 S161 A164 H207D82-D84 PolarHBondContact OD1-N 2.57Å; D82-D84 VanDerWaalsContact OD1-N 3.12Å; D84-H86 WeakPolarHBondContact CB-ND1 3.01Å; D84-H86 PolarHBondContact O-CE1 2.97Å; D84-H86 VanDerWaalsContact O-CE1 3.28Å; D84-H86 PolarHBondContact O-N 3.29Å; D84-H86 PolarHBondContact O-ND1 3.17Å; D84-S161 PolarHBondContact OD2-N 2.86Å; D84-S161 PolarHBondContact OD2-OG 2.89Å; D84-A164 WeakPolarHBondContact OD1-CB 3.46Å; D84-H207 IonicContact OD1-CE1 3.93Å; D84-H207 IonicContact OD2-CE1 3.19Å; D84-H207 PolarHBondContact OD2-CE1 2.95Å; D84-H207 IonicContact OD2-NE2 3.69Å
85Y93.5Very high96.5Very high137 Ų13740.8 Ų40.854%0.53720%0.197SC..SBendtrans60.231.2-179.6-68.7-97.1000113.5D82 H130D82-Y85 WeakPolarHBondContact OD1-CA 3.31Å; D82-Y85 PolarHBondContact OD1-N 3.14Å; D82-Y85 WeakPolarHBondContact OD2-CA 3.48Å; D82-Y85 PolarHBondContact OD2-N 3.3Å; Y85-H130 HydrophobicContact CD1-CB 4.24Å; Y85-H130 AromaticContact CD1-ND1 3.99Å; Y85-H130 HydrophobicContact CE1-CB 3.56Å; Y85-H130 AromaticContact CE1-CG 3.82Å; Y85-H130 HydrophobicContact CE2-CB 4.47Å
86H92Very high96.5Very high125 Ų12536.6 Ų36.658%0.57918%0.177SC*.  trans-100.6-1.5179.5-71.681.1000113Y59 D82 D84 D88Y59-H86 PolarHBondContact OH-O 3.32Å; D82-H86 PolarHBondContact OD1-N 3.03Å; D82-H86 PolarHBondContact OD2-N 3.11Å; D84-H86 WeakPolarHBondContact CB-ND1 3.01Å; D84-H86 PolarHBondContact O-CE1 2.97Å; D84-H86 VanDerWaalsContact O-CE1 3.28Å; D84-H86 PolarHBondContact O-N 3.29Å; D84-H86 PolarHBondContact O-ND1 3.17Å; H86-D88 PolarHBondContact O-N 3.17Å
87F97.2Very high96.4Very high29 Ų2941.3 Ų41.313%0.12720%0.199CC..  trans-65122.7175-178.9-94.1000110.6Y59 Y80 D82 M89 L92 L126 V128Y59-F87 AromaticContact CE1-CD2 3.82Å; Y59-F87 HydrophobicContact CE1-CD2 3.82Å; Y59-F87 AromaticContact CE1-CE2 3.9Å; Y59-F87 HydrophobicContact CE1-CE2 3.9Å; Y59-F87 WeakPolarHBondContact OH-CA 3.49Å; Y80-F87 AromaticContact CD1-CD2 3.87Å; Y80-F87 HydrophobicContact CD1-CD2 3.87Å; Y80-F87 HydrophobicContact CD1-CG 4.45Å; Y80-F87 HydrophobicContact CD2-CD2 4.23Å; Y80-F87 HydrophobicContact CD2-CE2 4.25Å; Y80-F87 HydrophobicContact CE1-CB 4.19Å; Y80-F87 AromaticContact CE1-CD2 3.72Å; Y80-F87 HydrophobicContact CE1-CD2 3.72Å; Y80-F87 HydrophobicContact CE1-CG 4.33Å; Y80-F87 HydrophobicContact CE2-CD2 4.06Å; Y80-F87 HydrophobicContact CE2-CE2 4.33Å; Y80-F87 HydrophobicContact CG-CD2 4.13Å; Y80-F87 HydrophobicContact CG-CE2 4.33Å; Y80-F87 AromaticContact CZ-CD2 3.82Å; D82-F87 HydrophobicContact CB-CB 4.05Å; D82-F87 VanDerWaalsContact OD2-CB 3.26Å; D82-F87 WeakPolarHBondContact OD2-CB 3.49Å; D82-F87 PolarHBondContact OD2-N 3.14Å; D82-F87 VanDerWaalsContact OD2-N 3.08Å; F87-M89 HydrophobicContact CE1-CB 3.96Å; F87-M89 HydrophobicContact CE1-CE 4.24Å; F87-M89 HydrophobicContact CE1-SD 4.02Å; F87-M89 HydrophobicContact CZ-CE 3.99Å; F87-M89 HydrophobicContact CZ-SD 4.31Å; F87-L92 HydrophobicContact CE2-CD2 4.47Å; F87-L92 HydrophobicContact CZ-CD2 4.12Å; F87-L126 HydrophobicContact CZ-CD2 3.99Å; F87-V128 HydrophobicContact CD1-CG1 4Å; F87-V128 HydrophobicContact CD1-CG2 4.37Å; F87-V128 HydrophobicContact CE1-CG1 4.31Å; F87-V128 HydrophobicContact CE1-CG2 3.85Å; F87-V128 HydrophobicContact CE2-CG2 4.42Å; F87-V128 HydrophobicContact CG-CG1 4.24Å; F87-V128 HydrophobicContact CZ-CG2 3.88Å
88D97.3Very high96.2Very high77 Ų7744 Ų4441%0.41221%0.212SC..  trans-113.7102.4-179.3-175.4-18.8000109Y59 H86 L90 R91 L92Y59-D88 PolarHBondContact OH-N 3.32Å; H86-D88 PolarHBondContact O-N 3.17Å; D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 2.91Å; D88-L90 WeakPolarHBondContact OD1-CA 3.39Å; D88-L90 WeakPolarHBondContact OD1-CB 3.47Å; D88-L90 PolarHBondContact OD1-N 2.83Å; D88-R91 HydrophobicContact CB-CB 3.86Å; D88-R91 PolarHBondContact O-N 2.9Å; D88-R91 PolarHBondContact OD1-N 3.38Å; D88-L92 PolarHBondContact O-N 2.93Å; D88-L92 VanDerWaalsContact O-N 3.16Å
89M97.1Very high95.8Very high71 Ų7147.3 Ų47.335%0.3522%0.224SC..Hα-helixtrans-62.9-37.8179.3-17577-86.300111.9F87 L92 V93 L123 L126F87-M89 HydrophobicContact CE1-CB 3.96Å; F87-M89 HydrophobicContact CE1-CE 4.24Å; F87-M89 HydrophobicContact CE1-SD 4.02Å; F87-M89 HydrophobicContact CZ-CE 3.99Å; F87-M89 HydrophobicContact CZ-SD 4.31Å; M89-L92 HydrophobicContact CE-CB 3.88Å; M89-L92 HydrophobicContact CE-CD2 3.51Å; M89-L92 HydrophobicContact CE-CG 4.21Å; M89-L92 PolarHBondContact O-N 3.4Å; M89-V93 HydrophobicContact CE-CG2 4.1Å; M89-V93 WeakPolarHBondContact O-CG2 3.48Å; M89-V93 PolarHBondContact O-N 3.42Å; M89-L123 HydrophobicContact CE-CD2 3.58Å; M89-L123 HydrophobicContact SD-CD2 4.5Å; M89-L126 HydrophobicContact CE-CD2 4.12Å
90L97.2Very high95.3Very high136 Ų13647.3 Ų47.371%0.71222%0.224SC*.Hα-helixtrans-66.6-43.2-178.6-62.1177.7000109.8D88 L92 V93 T94D88-L90 VanDerWaalsContact C-N 3.29Å; D88-L90 PolarHBondContact O-N 2.91Å; D88-L90 WeakPolarHBondContact OD1-CA 3.39Å; D88-L90 WeakPolarHBondContact OD1-CB 3.47Å; D88-L90 PolarHBondContact OD1-N 2.83Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-L92 PolarHBondContact O-N 3.45Å; L90-V93 PolarHBondContact O-N 2.89Å; L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 3.06Å; L90-T94 VanDerWaalsContact O-OG1 3.07Å
91R97.5Very high94.5Very high45 Ų4549 Ų4917%0.1724%0.242CC..Hα-helixtrans-59.2-44.9175.5-178.758.9-177.5144.76112E56 Y59 D88 T94 V95 M301 E302E56-R91 IonicContact OE1-CZ 3.85Å; E56-R91 IonicContact OE1-NE 3.42Å; E56-R91 PolarHBondContact OE1-NE 3.38Å; E56-R91 IonicContact OE1-NH2 3.68Å; E56-R91 IonicContact OE2-CZ 3.43Å; E56-R91 IonicContact OE2-NE 3.62Å; E56-R91 PolarHBondContact OE2-NE 2.9Å; E56-R91 IonicContact OE2-NH2 2.9Å; E56-R91 PolarHBondContact OE2-NH2 3.35Å; Y59-R91 HydrophobicContact CD2-CB 4.43Å; Y59-R91 HydrophobicContact CD2-CG 3.73Å; Y59-R91 HydrophobicContact CE2-CB 4.03Å; Y59-R91 HydrophobicContact CE2-CG 3.66Å; D88-R91 HydrophobicContact CB-CB 3.86Å; D88-R91 PolarHBondContact O-N 2.9Å; D88-R91 PolarHBondContact OD1-N 3.38Å; R91-T94 PolarHBondContact O-N 3.03Å; R91-V95 WeakPolarHBondContact O-CG2 3.39Å; R91-V95 PolarHBondContact O-N 3.26Å; R91-V95 VanDerWaalsContact O-N 3.14Å; R91-M301 PolarHBondContact NH2-O 3.46Å; R91-E302 PolarHBondContact NH1-O 3.08Å
92L97.8Very high92.9Very high0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-62.9-43.2176.8-17178.8000111.7Y59 V62 I66 F87 D88 M89 L90 T94 V95 L96 L123 L126Y59-L92 HydrophobicContact CD1-CD1 3.87Å; Y59-L92 HydrophobicContact CG-CD1 3.99Å; V62-L92 HydrophobicContact CB-CD1 4.36Å; V62-L92 HydrophobicContact CG1-CD1 4.2Å; V62-L92 HydrophobicContact CG1-CD2 4.28Å; I66-L92 HydrophobicContact CD1-CD2 4.49Å; F87-L92 HydrophobicContact CE2-CD2 4.47Å; F87-L92 HydrophobicContact CZ-CD2 4.12Å; D88-L92 PolarHBondContact O-N 2.93Å; D88-L92 VanDerWaalsContact O-N 3.16Å; M89-L92 HydrophobicContact CE-CB 3.88Å; M89-L92 HydrophobicContact CE-CD2 3.51Å; M89-L92 HydrophobicContact CE-CG 4.21Å; M89-L92 PolarHBondContact O-N 3.4Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-L92 PolarHBondContact O-N 3.45Å; L92-T94 PolarHBondContact O-N 2.88Å; L92-V95 PolarHBondContact O-N 3.46Å; L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 PolarHBondContact O-N 2.89Å; L92-L123 HydrophobicContact CD2-CD2 4.45Å; L92-L126 HydrophobicContact CD2-CD2 3.37Å
93V96.9Very high90.9Very high27 Ų2758 Ų5816%0.16429%0.286CS..Hα-helixtrans-60.4-44.9177170.70000111M89 L90 V95 L96 E97 V119 L123M89-V93 HydrophobicContact CE-CG2 4.1Å; M89-V93 WeakPolarHBondContact O-CG2 3.48Å; M89-V93 PolarHBondContact O-N 3.42Å; L90-V93 PolarHBondContact O-N 2.89Å; V93-V95 VanDerWaalsContact C-N 3.32Å; V93-V95 PolarHBondContact O-N 2.86Å; V93-L96 PolarHBondContact O-N 2.95Å; V93-L96 VanDerWaalsContact O-N 3.15Å; V93-E97 HydrophobicContact CG1-CG 4.05Å; V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 WeakPolarHBondContact O-CG 3.44Å; V93-E97 PolarHBondContact O-N 3.14Å; V93-V119 HydrophobicContact CG1-CG1 4.24Å; V93-L123 HydrophobicContact CG2-CD1 3.98Å; V93-L123 HydrophobicContact CG2-CD2 4.46Å
94T96.4Very high88.9Confident42 Ų4260.8 Ų60.826%0.25831%0.31SS..Hα-helixtrans-57.7-44.9176.3-57.50000111.8L90 R91 L92 Q98 E302L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 3.06Å; L90-T94 VanDerWaalsContact O-OG1 3.07Å; R91-T94 PolarHBondContact O-N 3.03Å; L92-T94 PolarHBondContact O-N 2.88Å; T94-Q98 VanDerWaalsContact O-CG 3.28Å; T94-Q98 WeakPolarHBondContact O-CG 3.39Å; T94-Q98 PolarHBondContact O-N 3.07Å; T94-E302 HydrophobicContact CG2-CG 3.89Å
95V96.2Very high87.2Confident0 Ų068 Ų680%034%0.339CS..Hα-helixtrans-62.9-44.4177174.20000110.8T63 R91 L92 V93 Q98 R99T63-V95 HydrophobicContact CG2-CG1 4.25Å; R91-V95 WeakPolarHBondContact O-CG2 3.39Å; R91-V95 PolarHBondContact O-N 3.26Å; R91-V95 VanDerWaalsContact O-N 3.14Å; L92-V95 PolarHBondContact O-N 3.46Å; V93-V95 VanDerWaalsContact C-N 3.32Å; V93-V95 PolarHBondContact O-N 2.86Å; V95-Q98 PolarHBondContact O-N 3.47Å; V95-R99 WeakPolarHBondContact O-CG 3.2Å; V95-R99 PolarHBondContact O-N 3.45Å
96L95.3Very high85.3Confident0 Ų064.7 Ų64.70%035%0.347CS..Hα-helixtrans-64.5-43.2179.8176.563.7000112.8T63 I66 L67 L92 V93 R99 L100 V119 C122 L123T63-L96 HydrophobicContact CG2-CB 4.21Å; T63-L96 HydrophobicContact CG2-CD1 3.93Å; I66-L96 HydrophobicContact CD1-CD2 4.37Å; L67-L96 HydrophobicContact CD1-CD1 4.09Å; L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 PolarHBondContact O-N 2.89Å; V93-L96 PolarHBondContact O-N 2.95Å; V93-L96 VanDerWaalsContact O-N 3.15Å; L96-R99 PolarHBondContact O-N 2.91Å; L96-L100 HydrophobicContact CD1-CD1 4.04Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 3.99Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.13Å; L96-V119 HydrophobicContact CD2-CG1 4.05Å; L96-C122 HydrophobicContact CD1-CB 4Å; L96-C122 HydrophobicContact CD2-CB 3.76Å; L96-C122 HydrophobicContact CG-CB 4.46Å; L96-L123 HydrophobicContact CD2-CD2 4.1Å; L96-L123 HydrophobicContact CD2-CG 4.23Å
97E93.7Very high83.3Confident100 Ų10065.5 Ų65.547%0.46735%0.351SS..Hα-helixtrans-61.6-44.2177.6-77.3175.6163.400111.9V93 R99 L100 G101 V119V93-E97 HydrophobicContact CG1-CG 4.05Å; V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 WeakPolarHBondContact O-CG 3.44Å; V93-E97 PolarHBondContact O-N 3.14Å; E97-R99 PolarHBondContact O-N 3.35Å; E97-L100 PolarHBondContact O-N 2.84Å; E97-G101 PolarHBondContact O-N 3.05Å; E97-V119 HydrophobicContact CG-CG2 3.74Å
98Q92.1Very high81.2Confident76 Ų7672.5 Ų72.536%0.35539%0.39SS..Hα-helixtrans-60.5-45.6176.9-68.6-68.5-21.700110.9T94 V95 L100 G101 E102T94-Q98 VanDerWaalsContact O-CG 3.28Å; T94-Q98 WeakPolarHBondContact O-CG 3.39Å; T94-Q98 PolarHBondContact O-N 3.07Å; V95-Q98 PolarHBondContact O-N 3.47Å; Q98-L100 VanDerWaalsContact C-N 3.35Å; Q98-L100 PolarHBondContact O-N 3.1Å; Q98-G101 PolarHBondContact O-N 2.8Å; Q98-E102 WeakPolarHBondContact O-CG 3.38Å; Q98-E102 PolarHBondContact O-N 2.93Å
99R89.8Confident78.8Confident69 Ų6973.3 Ų73.326%0.2640%0.401SS..Hα-helixtrans-62.7-38.2176.4-66.8-65.7-171.5-169.10.8113H60 T63 V95 L96 E97 G101 E102 V305H60-R99 PolarHBondContact CE1-NH2 3.21Å; H60-R99 PolarHBondContact ND1-NH2 3.11Å; H60-R99 VanDerWaalsContact ND1-NH2 3.17Å; T63-R99 HydrophobicContact CG2-CB 4.43Å; T63-R99 HydrophobicContact CG2-CG 4.05Å; V95-R99 WeakPolarHBondContact O-CG 3.2Å; V95-R99 PolarHBondContact O-N 3.45Å; L96-R99 PolarHBondContact O-N 2.91Å; E97-R99 PolarHBondContact O-N 3.35Å; R99-G101 VanDerWaalsContact C-N 3.35Å; R99-E102 IonicContact NH1-OE2 2.64Å; R99-V305 PolarHBondContact NH2-O 3.39Å
100L89.2Confident76.6Confident9 Ų973.7 Ų73.75%0.04742%0.423CS..Hα-helixtrans-73.3-26.9177.2-76167.9000113.3L67 L96 E97 Q98 R118 V119L67-L100 HydrophobicContact CD1-CD2 3.52Å; L67-L100 HydrophobicContact CD1-CG 3.84Å; L96-L100 HydrophobicContact CD1-CD1 4.04Å; L96-L100 HydrophobicContact CD1-CG 4.32Å; L96-L100 HydrophobicContact CG-CD1 3.99Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.13Å; E97-L100 PolarHBondContact O-N 2.84Å; Q98-L100 VanDerWaalsContact C-N 3.35Å; Q98-L100 PolarHBondContact O-N 3.1Å; L100-R118 HydrophobicContact CD1-CB 4.31Å; L100-R118 PolarHBondContact O-NH1 3.03Å; L100-R118 PolarHBondContact O-NH2 3.48Å; L100-R118 VanDerWaalsContact O-NH2 3.09Å; L100-V119 HydrophobicContact CD1-CG2 3.83Å
101G80.9Confident74.5Confident37 Ų3772 Ų7238%0.38143%0.429SS..Hα-helixtrans-86.8-24.3-177.800000114.9E97 Q98 R99 D103 A104E97-G101 PolarHBondContact O-N 3.05Å; Q98-G101 PolarHBondContact O-N 2.8Å; R99-G101 VanDerWaalsContact C-N 3.35Å; G101-D103 PolarHBondContact O-N 2.94Å; G101-A104 PolarHBondContact O-N 3Å
102E66.3Low72.8Confident113 Ų11374 Ų7453%0.52846%0.455SS..Hα-helixtrans-58-34177.7-80.2174.4162.900112.5Q98 R99Q98-E102 WeakPolarHBondContact O-CG 3.38Å; Q98-E102 PolarHBondContact O-N 2.93Å; R99-E102 IonicContact NH1-OE2 2.64Å
103D56.3Low71.3Confident75 Ų7577.6 Ų77.640%0.40148%0.477SS..THydrogen-bonded Turntrans-90.9-12-179.5-65.9-25.9000115R71 G101 K105R71-D103 WeakPolarHBondContact CD-OD2 3.34Å; R71-D103 IonicContact NH1-OD2 3.99Å; G101-D103 PolarHBondContact O-N 2.94Å; D103-K105 PolarHBondContact O-N 2.93Å; D103-K105 VanDerWaalsContact O-N 3.15Å
104A55.8Low70.6Confident63 Ų6382.6 Ų82.652%0.52150%0.499SS..THydrogen-bonded Turntrans-73.5-3.2-177.100000113.4G101 G106G101-A104 PolarHBondContact O-N 3Å; A104-G106 VanDerWaalsContact C-N 3.31Å
105K53.8Low69.9Low197 Ų19784.8 Ų84.886%0.85751%0.514SS*.THydrogen-bonded Turntrans-84.30.2179.2-66.3-177.3-179.5174.20114D103D103-K105 PolarHBondContact O-N 2.93Å; D103-K105 VanDerWaalsContact O-N 3.15Å
106G51.9Low69.5Low68 Ų6891.5 Ų91.570%0.70155%0.545SS*.SBendtrans-117.5-17-172.100000117.6A104A104-G106 VanDerWaalsContact C-N 3.31Å
107E50.8Low69.3Low141 Ų14196.7 Ų96.766%0.65957%0.569SS**  trans-128.2101.7-170.2-71.5-178.6154.600112.6R71 S109R71-E107 IonicContact NH2-OE2 3.53Å; E107-S109 PolarHBondContact O-N 3.3Å
108D52.8Low69.2Low177 Ų17794.7 Ų94.795%0.94756%0.557SS**  trans-83.187.2163.8-165.121000107.8
109S47.3Very low69.3Low93 Ų9391.7 Ų91.765%0.6554%0.544SS*.  trans-152.5140.3167.669.90000113.1E107E107-S109 PolarHBondContact O-N 3.3Å
110G50.2Low69.6Low79 Ų7995.6 Ų95.681%0.81456%0.559SS**SBendtrans-67.6157.6-160.800000116.6
111A52.7Low69.9Low100 Ų10098.2 Ų98.283%0.82658%0.582SS**  trans70.954.2-166.900000113.6V113A111-V113 PolarHBondContact O-N 3.47Å
112A62.2Low70.7Confident87 Ų8796.5 Ų96.572%0.71956%0.564SS**  trans-60.8111.1169.700000109.4E114A112-E114 PolarHBondContact O-N 3.2Å
113V67.1Low72.2Confident77 Ų7793.3 Ų93.347%0.46755%0.551SS.*  trans-58.8127.8165.4178.20000107.1A111 E117 R118A111-V113 PolarHBondContact O-N 3.47Å; V113-E117 HydrophobicContact CG1-CB 3.72Å; V113-E117 HydrophobicContact CG1-CG 3.82Å; V113-R118 HydrophobicContact CB-CG 4.07Å; V113-R118 HydrophobicContact CG1-CG 3.76Å
114E81.4Confident74.1Confident131 Ų13192.1 Ų92.161%0.61256%0.556SS**  trans-54.1139-178.8-72.5-63.6140.600110.2A112 E116 E117 R118A112-E114 PolarHBondContact O-N 3.2Å; E114-E116 PolarHBondContact O-N 2.81Å; E114-E116 VanDerWaalsContact O-N 3.07Å; E114-E117 PolarHBondContact O-N 2.64Å; E114-R118 PolarHBondContact O-N 3.04Å
115P83Confident76.2Confident89 Ų8990.8 Ų90.858%0.57854%0.537SS*.Hα-helixtrans-50.1-39.3-177.8-28.234.2000113.3E117 R118 V119P115-E117 PolarHBondContact O-N 2.82Å; P115-R118 PolarHBondContact O-N 3.26Å; P115-V119 WeakPolarHBondContact O-CG2 3.4Å; P115-V119 PolarHBondContact O-N 2.89Å
116E87.9Confident78.3Confident141 Ų14182.2 Ų82.266%0.65950%0.501SS*.Hα-helixtrans-63.6-36.7177.4-64-173.7179.900113.4E114 V119 R120E114-E116 PolarHBondContact O-N 2.81Å; E114-E116 VanDerWaalsContact O-N 3.07Å; E116-V119 PolarHBondContact O-N 2.96Å; E116-R120 VanDerWaalsContact O-CB 3.31Å; E116-R120 WeakPolarHBondContact O-CB 3.4Å; E116-R120 PolarHBondContact O-N 3.34Å
117E90.8Very high80.5Confident109 Ų10981.8 Ų81.851%0.50948%0.48SS..Hα-helixtrans-71.6-35.4179.2-174.8169.9-155.500111V113 E114 P115 R120 A121V113-E117 HydrophobicContact CG1-CB 3.72Å; V113-E117 HydrophobicContact CG1-CG 3.82Å; E114-E117 PolarHBondContact O-N 2.64Å; P115-E117 PolarHBondContact O-N 2.82Å; E117-R120 PolarHBondContact O-N 2.79Å; E117-A121 WeakPolarHBondContact O-CB 3.34Å; E117-A121 PolarHBondContact O-N 3.26Å
118R90.9Very high82.8Confident57 Ų5777.5 Ų77.522%0.21546%0.463CS..Hα-helixtrans-63.2-45.9171.6-63.617562.3-160.8-5.2111.7L100 V113 E114 P115 A121 C122L100-R118 HydrophobicContact CD1-CB 4.31Å; L100-R118 PolarHBondContact O-NH1 3.03Å; L100-R118 PolarHBondContact O-NH2 3.48Å; L100-R118 VanDerWaalsContact O-NH2 3.09Å; V113-R118 HydrophobicContact CB-CG 4.07Å; V113-R118 HydrophobicContact CG1-CG 3.76Å; E114-R118 PolarHBondContact O-N 3.04Å; P115-R118 PolarHBondContact O-N 3.26Å; R118-A121 PolarHBondContact O-N 3.47Å; R118-C122 PolarHBondContact O-N 3.5Å; R118-C122 VanDerWaalsContact O-N 3.14Å; R118-C122 PolarHBondContact O-SG 2.9Å
119V94.6Very high84.9Confident13 Ų1371.2 Ų71.28%0.07943%0.431CS..Hα-helixtrans-60.7-47.7175.6171.50000110.2V93 L96 E97 L100 P115 E116 A121 C122 L123V93-V119 HydrophobicContact CG1-CG1 4.24Å; L96-V119 HydrophobicContact CD2-CG1 4.05Å; E97-V119 HydrophobicContact CG-CG2 3.74Å; L100-V119 HydrophobicContact CD1-CG2 3.83Å; P115-V119 WeakPolarHBondContact O-CG2 3.4Å; P115-V119 PolarHBondContact O-N 2.89Å; E116-V119 PolarHBondContact O-N 2.96Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.19Å; V119-C122 WeakPolarHBondContact O-CB 3.26Å; V119-C122 PolarHBondContact O-N 3.21Å; V119-C122 VanDerWaalsContact O-N 3.13Å; V119-L123 HydrophobicContact CG1-CD1 3.89Å; V119-L123 HydrophobicContact CG1-CG 4.22Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.13Å
120R95.8Very high87.3Confident152 Ų15270.2 Ų70.257%0.57442%0.416SS*.Hα-helixtrans-58.7-42.4178.2-173-177.3-63.8104.54.8112.3E116 E117 C122 L123 G124E116-R120 VanDerWaalsContact O-CB 3.31Å; E116-R120 WeakPolarHBondContact O-CB 3.4Å; E116-R120 PolarHBondContact O-N 3.34Å; E117-R120 PolarHBondContact O-N 2.79Å; R120-C122 VanDerWaalsContact C-N 3.33Å; R120-C122 PolarHBondContact O-N 2.83Å; R120-L123 PolarHBondContact O-N 2.75Å; R120-G124 PolarHBondContact O-N 3.43Å
121A95.4Very high89.6Confident64 Ų6466.4 Ų66.453%0.52938%0.377SS..Hα-helixtrans-61.5-40.5176.700000112.1E117 R118 V119 G124E117-A121 WeakPolarHBondContact O-CB 3.34Å; E117-A121 PolarHBondContact O-N 3.26Å; R118-A121 PolarHBondContact O-N 3.47Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.19Å; A121-G124 PolarHBondContact O-N 3.22Å
122C97.2Very high91.7Very high1 Ų165.2 Ų65.21%0.00736%0.363CS..Hα-helixtrans-66.7-47.2175.1-60.60000111.6I66 L96 R118 V119 R120 G124 R125I66-C122 HydrophobicContact CD1-CB 4.48Å; I66-C122 HydrophobicContact CG1-CB 4.36Å; I66-C122 WeakPolarHBondContact O-CB 3.31Å; L96-C122 HydrophobicContact CD1-CB 4Å; L96-C122 HydrophobicContact CD2-CB 3.76Å; L96-C122 HydrophobicContact CG-CB 4.46Å; R118-C122 PolarHBondContact O-N 3.5Å; R118-C122 VanDerWaalsContact O-N 3.14Å; R118-C122 PolarHBondContact O-SG 2.9Å; V119-C122 WeakPolarHBondContact O-CB 3.26Å; V119-C122 PolarHBondContact O-N 3.21Å; V119-C122 VanDerWaalsContact O-N 3.13Å; R120-C122 VanDerWaalsContact C-N 3.33Å; R120-C122 PolarHBondContact O-N 2.83Å; C122-G124 PolarHBondContact O-N 2.76Å; C122-R125 WeakPolarHBondContact O-CB 3.36Å; C122-R125 PolarHBondContact O-N 3.04Å
123L97.8Very high93.3Very high46 Ų4663.1 Ų63.124%0.24134%0.343CS..Hα-helixtrans-63.5-25.8178.5-66.9179.4000112.9I66 M89 L92 V93 L96 V119 R120 R125 L126I66-L123 HydrophobicContact CD1-CD2 4.44Å; M89-L123 HydrophobicContact CE-CD2 3.58Å; M89-L123 HydrophobicContact SD-CD2 4.5Å; L92-L123 HydrophobicContact CD2-CD2 4.45Å; V93-L123 HydrophobicContact CG2-CD1 3.98Å; V93-L123 HydrophobicContact CG2-CD2 4.46Å; L96-L123 HydrophobicContact CD2-CD2 4.1Å; L96-L123 HydrophobicContact CD2-CG 4.23Å; V119-L123 HydrophobicContact CG1-CD1 3.89Å; V119-L123 HydrophobicContact CG1-CG 4.22Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.13Å; R120-L123 PolarHBondContact O-N 2.75Å; L123-R125 PolarHBondContact O-N 3.07Å; L123-R125 VanDerWaalsContact O-N 3.08Å; L123-L126 PolarHBondContact O-N 3.18Å
124G97.9Very high94.7Very high50 Ų5059.9 Ų59.952%0.51532%0.324SS..THydrogen-bonded Turntrans-59.6-15.9171.900000114.3R120 A121 C122R120-G124 PolarHBondContact O-N 3.43Å; A121-G124 PolarHBondContact O-N 3.22Å; C122-G124 PolarHBondContact O-N 2.76Å
125R97.9Very high95.4Very high34 Ų3457.6 Ų57.613%0.12832%0.318CS..THydrogen-bonded Turntrans-93.8-3.8174.7-64.7-176.1-83.8-136.8-0.7113.7I66 E75 E77 V78 C122 L123I66-R125 HydrophobicContact CB-CB 4.17Å; I66-R125 HydrophobicContact CG2-CB 4.03Å; I66-R125 PolarHBondContact O-NE 3.02Å; I66-R125 PolarHBondContact O-NH2 2.69Å; E75-R125 IonicContact OE2-CZ 3.73Å; E75-R125 IonicContact OE2-NH1 2.73Å; E75-R125 PolarHBondContact OE2-NH1 3.14Å; E77-R125 CarbonylContact C-O 3.08Å; E77-R125 WeakPolarHBondContact CA-O 3.46Å; E77-R125 WeakPolarHBondContact CB-O 3.27Å; E77-R125 HydrophobicContact CG-CB 4.06Å; E77-R125 HydrophobicContact CG-CG 4.18Å; V78-R125 PolarHBondContact N-O 2.88Å; C122-R125 WeakPolarHBondContact O-CB 3.36Å; C122-R125 PolarHBondContact O-N 3.04Å; L123-R125 PolarHBondContact O-N 3.07Å; L123-R125 VanDerWaalsContact O-N 3.08Å
126L98.6Very high96.1Very high18 Ų1856.4 Ų56.49%0.09431%0.305CS..EExtended strand (participates in β ladder)trans-105.6125.8-179.8179.764.8000110.9V62 I66 V78 F87 M89 L92 L123 V128V62-L126 HydrophobicContact CG1-CD1 3.88Å; I66-L126 HydrophobicContact CG2-CB 4.45Å; V78-L126 HydrophobicContact CB-CD1 4.07Å; V78-L126 HydrophobicContact CG1-CD1 4.19Å; F87-L126 HydrophobicContact CZ-CD2 3.99Å; M89-L126 HydrophobicContact CE-CD2 4.12Å; L92-L126 HydrophobicContact CD2-CD2 3.37Å; L123-L126 PolarHBondContact O-N 3.18Å; L126-V128 HydrophobicContact CD1-CG2 4.35Å; L126-V128 HydrophobicContact CD2-CG2 4.05Å; L126-V128 HydrophobicContact CG-CG2 3.91Å
127F98.3Very high96.6Very high58 Ų5850 Ų5025%0.25428%0.275SS..EExtended strand (participates in β ladder)trans-112.6127171.6-57.3-80.1000108.8E77 V78 M79 Y80 R151 L154E77-F127 HydrophobicContact CB-CE2 4.15Å; E77-F127 HydrophobicContact CG-CE2 4.33Å; V78-F127 PolarHBondContact O-N 2.89Å; M79-F127 CarbonylContact C-O 3.54Å; M79-F127 WeakPolarHBondContact CA-O 3.09Å; M79-F127 HydrophobicContact CE-CB 3.7Å; M79-F127 HydrophobicContact CE-CG 4.32Å; M79-F127 HydrophobicContact SD-CB 3.89Å; Y80-F127 PolarHBondContact N-O 3.17Å; F127-R151 VanDerWaalsContact CZ-NH2 3.27Å; F127-L154 HydrophobicContact CD2-CD1 4.46Å
128V98.2Very high96.9Very high51 Ų5146 Ų4631%0.30926%0.257SS..EExtended strand (participates in β ladder)trans-117.3130.5178.8-172.80000109.5Y80 F87 L126Y80-V128 CarbonylContact O-C 3.56Å; Y80-V128 WeakPolarHBondContact O-CA 3.29Å; F87-V128 HydrophobicContact CD1-CG1 4Å; F87-V128 HydrophobicContact CD1-CG2 4.37Å; F87-V128 HydrophobicContact CE1-CG1 4.31Å; F87-V128 HydrophobicContact CE1-CG2 3.85Å; F87-V128 HydrophobicContact CE2-CG2 4.42Å; F87-V128 HydrophobicContact CG-CG1 4.24Å; F87-V128 HydrophobicContact CZ-CG2 3.88Å; L126-V128 HydrophobicContact CD1-CG2 4.35Å; L126-V128 HydrophobicContact CD2-CG2 4.05Å; L126-V128 HydrophobicContact CG-CG2 3.91Å
129V98.1Very high97.2Very high46 Ų4648.7 Ų48.728%0.27928%0.275SS..EExtended strand (participates in β ladder)trans-129.7129176.81800000108.9M79 Y80 V81 D82 T140M79-V129 HydrophobicContact SD-CG2 3.75Å; Y80-V129 PolarHBondContact O-N 3.31Å; V81-V129 CarbonylContact C-O 3.57Å; V81-V129 WeakPolarHBondContact CA-O 3.35Å; D82-V129 PolarHBondContact N-O 2.9Å; V129-T140 HydrophobicContact CG1-CG2 3.95Å
130H97.8Very high97.3Very high71 Ų7148.9 Ų48.933%0.32928%0.277SS..EExtended strand (participates in β ladder)trans-95.3133.9174.9-57.3-74.6000111D82 Y85 Q136D82-H130 CarbonylContact O-C 3.3Å; D82-H130 VanDerWaalsContact O-CA 3.25Å; D82-H130 WeakPolarHBondContact O-CA 3.2Å; D82-H130 IonicContact OD2-CE1 3.83Å; D82-H130 PolarHBondContact OD2-CE1 2.94Å; D82-H130 IonicContact OD2-ND1 3.13Å; D82-H130 PolarHBondContact OD2-ND1 2.84Å; D82-H130 VanDerWaalsContact OD2-ND1 3.1Å; Y85-H130 HydrophobicContact CD1-CB 4.24Å; Y85-H130 AromaticContact CD1-ND1 3.99Å; Y85-H130 HydrophobicContact CE1-CB 3.56Å; Y85-H130 AromaticContact CE1-CG 3.82Å; Y85-H130 HydrophobicContact CE2-CB 4.47Å; H130-Q136 PolarHBondContact O-NE2 2.95Å
131C98.1Very high97.4Very high0 Ų041.7 Ų41.70%025%0.249CC..  trans-117.9133.6173-66.70000109.9V81 D82 T83 Q136 L137 T140 F165V81-C131 HydrophobicContact CG1-CB 4.42Å; D82-C131 PolarHBondContact O-N 2.78Å; T83-C131 CarbonylContact C-O 3.59Å; T83-C131 WeakPolarHBondContact CA-O 3.37Å; T83-C131 HydrophobicContact CG2-CB 4.35Å; C131-Q136 HydrophobicContact CB-CB 4.44Å; C131-Q136 HydrophobicContact CB-CG 4.35Å; C131-L137 HydrophobicContact CB-CB 4.25Å; C131-T140 PolarHBondContact SG-OG1 3.3Å; C131-T140 VanDerWaalsContact SG-OG1 3.35Å; C131-F165 WeakPolarHBondContact O-CZ 3.47Å
132S96.7Very high97.4Very high74 Ų7442.7 Ų42.752%0.51724%0.243SC..SBendtrans-107.4-4.1-178.362.10000113.5Q136 F165S132-Q136 PolarHBondContact OG-OE1 3.05Å; S132-F165 VanDerWaalsContact C-CE1 3.43Å; S132-F165 WeakPolarHBondContact O-CE1 3.4Å
133S96.7Very high97.3Very high43 Ų4350.1 Ų50.130%0.30127%0.272SS..SBendtrans-154.2162.1178.265.40000112.1V135 Q136 L137 F165S133-V135 PolarHBondContact O-N 2.78Å; S133-Q136 PolarHBondContact O-N 3.02Å; S133-Q136 PolarHBondContact OG-N 3.45Å; S133-L137 PolarHBondContact O-N 3.36Å; S133-F165 VanDerWaalsContact C-CD2 3.41Å; S133-F165 VanDerWaalsContact N-CZ 3.31Å; S133-F165 WeakPolarHBondContact O-CE2 3.28Å
134S96.1Very high97.1Very high10 Ų1048 Ų487%0.0726%0.261CS..Hα-helixtrans-59.7-34.5174.352.80000112.9L138 F165 D169 N183S134-L138 WeakPolarHBondContact O-CB 3.27Å; S134-L138 PolarHBondContact O-N 2.93Å; S134-F165 VanDerWaalsContact N-CG 3.34Å; S134-D169 WeakPolarHBondContact CB-OD1 3.3Å; S134-D169 WeakPolarHBondContact CB-OD2 3.35Å; S134-D169 VanDerWaalsContact OG-CG 3.28Å; S134-D169 PolarHBondContact OG-OD1 2.9Å; S134-D169 PolarHBondContact OG-OD2 2.95Å; S134-D169 VanDerWaalsContact OG-OD2 3.08Å; S134-N183 PolarHBondContact OG-ND2 3.43Å
135V95.8Very high96.8Very high82 Ų8247.3 Ų47.350%0.49724%0.244SC..Hα-helixtrans-68-44.5175.4178.80000110.9S133 L138 L139S133-V135 PolarHBondContact O-N 2.78Å; V135-L138 PolarHBondContact O-N 3.44Å; V135-L139 HydrophobicContact CG1-CD1 4.22Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 3.1Å
136Q97.7Very high96.4Very high65 Ų6549.4 Ų49.430%0.30426%0.258SS..Hα-helixtrans-63.3-43.5176.7-169.6-176.6-5.800111H130 C131 S132 S133 L138 L139 T140H130-Q136 PolarHBondContact O-NE2 2.95Å; C131-Q136 HydrophobicContact CB-CB 4.44Å; C131-Q136 HydrophobicContact CB-CG 4.35Å; S132-Q136 PolarHBondContact OG-OE1 3.05Å; S133-Q136 PolarHBondContact O-N 3.02Å; S133-Q136 PolarHBondContact OG-N 3.45Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 3.15Å; Q136-L139 PolarHBondContact O-N 3.25Å; Q136-T140 WeakPolarHBondContact O-CB 3.46Å; Q136-T140 PolarHBondContact O-N 2.93Å; Q136-T140 PolarHBondContact O-OG1 3.34Å
137L98Very high96.1Very high5 Ų549.3 Ų49.33%0.02626%0.258CS..Hα-helixtrans-57.3-46.9174.7177.460.9000111.5V81 T83 C131 S133 L139 T140 L141 I159 I162 F165V81-L137 HydrophobicContact CG1-CD1 3.69Å; T83-L137 HydrophobicContact CG2-CD1 4.4Å; T83-L137 HydrophobicContact CG2-CD2 4.39Å; C131-L137 HydrophobicContact CB-CB 4.25Å; S133-L137 PolarHBondContact O-N 3.36Å; L137-L139 PolarHBondContact O-N 2.74Å; L137-T140 WeakPolarHBondContact O-CB 3.41Å; L137-T140 PolarHBondContact O-N 3.46Å; L137-L141 HydrophobicContact CD1-CG 4.33Å; L137-L141 HydrophobicContact CG-CD1 4.43Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 2.87Å; L137-I159 HydrophobicContact CD1-CG2 4.44Å; L137-I162 HydrophobicContact CD2-CD1 4.25Å; L137-F165 HydrophobicContact CB-CE2 4.27Å; L137-F165 HydrophobicContact CD2-CD2 4.43Å; L137-F165 HydrophobicContact CD2-CE2 4.44Å
138L97.4Very high95.7Very high25 Ų2546.6 Ų46.613%0.13125%0.246CC..Hα-helixtrans-60.7-43.2178.2-179.162.8000112.3S134 V135 Q136 L141 H142 K186 L190S134-L138 WeakPolarHBondContact O-CB 3.27Å; S134-L138 PolarHBondContact O-N 2.93Å; V135-L138 PolarHBondContact O-N 3.44Å; Q136-L138 VanDerWaalsContact C-N 3.34Å; Q136-L138 PolarHBondContact O-N 3.15Å; L138-L141 PolarHBondContact O-N 3.28Å; L138-H142 PolarHBondContact O-CD2 2.91Å; L138-H142 PolarHBondContact O-N 2.77Å; L138-H142 VanDerWaalsContact O-N 3.1Å; L138-K186 HydrophobicContact CD1-CB 3.83Å; L138-K186 HydrophobicContact CD2-CB 4.11Å; L138-K186 HydrophobicContact CD2-CD 3.92Å; L138-L190 HydrophobicContact CD1-CD2 3.94Å
139L97.1Very high95.2Very high114 Ų11444.8 Ų44.860%0.59724%0.236SC*.Hα-helixtrans-65.8-41.8176.5-70.6172.7000111.9V135 Q136 L137 H142 Y143V135-L139 HydrophobicContact CG1-CD1 4.22Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 3.1Å; Q136-L139 PolarHBondContact O-N 3.25Å; L137-L139 PolarHBondContact O-N 2.74Å; L139-H142 WeakPolarHBondContact O-CB 3.37Å; L139-H142 PolarHBondContact O-N 3.37Å; L139-H142 VanDerWaalsContact O-N 3.16Å; L139-Y143 PolarHBondContact O-N 3.26Å
140T97.9Very high94.7Very high18 Ų1846.8 Ų46.811%0.1125%0.252CS..Hα-helixtrans-57.6-50.2174.6-63.80000110.2V81 V129 C131 Q136 L137 H142 Y143 L144V81-T140 HydrophobicContact CG2-CG2 4.3Å; V129-T140 HydrophobicContact CG1-CG2 3.95Å; C131-T140 PolarHBondContact SG-OG1 3.3Å; C131-T140 VanDerWaalsContact SG-OG1 3.35Å; Q136-T140 WeakPolarHBondContact O-CB 3.46Å; Q136-T140 PolarHBondContact O-N 2.93Å; Q136-T140 PolarHBondContact O-OG1 3.34Å; L137-T140 WeakPolarHBondContact O-CB 3.41Å; L137-T140 PolarHBondContact O-N 3.46Å; T140-H142 PolarHBondContact O-N 2.77Å; T140-Y143 WeakPolarHBondContact O-CB 3.49Å; T140-Y143 PolarHBondContact O-N 3.49Å; T140-L144 HydrophobicContact CG2-CG 4.46Å; T140-L144 WeakPolarHBondContact O-CG 3.27Å; T140-L144 PolarHBondContact O-N 3.39Å
141L97.4Very high94.5Very high0 Ų047.4 Ų47.40%025%0.252CS..Hα-helixtrans-58.7-35.2177.4-68.9177.7000112.4L137 L138 L144 L157 I159 C187 L190 L191L137-L141 HydrophobicContact CD1-CG 4.33Å; L137-L141 HydrophobicContact CG-CD1 4.43Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 2.87Å; L138-L141 PolarHBondContact O-N 3.28Å; L141-L144 HydrophobicContact CD2-CD1 4.18Å; L141-L144 PolarHBondContact O-N 3.37Å; L141-L157 HydrophobicContact CD2-CD2 4Å; L141-I159 HydrophobicContact CD2-CD1 4.32Å; L141-C187 HydrophobicContact CD1-CB 3.86Å; L141-L190 HydrophobicContact CB-CD2 3.33Å; L141-L190 HydrophobicContact CB-CG 3.96Å; L141-L190 HydrophobicContact CD1-CD2 4.44Å; L141-L191 HydrophobicContact CD1-CD2 4.31Å; L141-L191 HydrophobicContact CD1-CG 4.1Å; L141-L191 HydrophobicContact CD2-CD2 3.71Å; L141-L191 HydrophobicContact CD2-CG 4.4Å
142H95.6Very high93.9Very high85 Ų8549.9 Ų49.939%0.39427%0.267SS..Hα-helixtrans-68-41.6175.2-92.2-66.9000111.7L138 L139 T140 L144 E145 L190L138-H142 PolarHBondContact O-CD2 2.91Å; L138-H142 PolarHBondContact O-N 2.77Å; L138-H142 VanDerWaalsContact O-N 3.1Å; L139-H142 WeakPolarHBondContact O-CB 3.37Å; L139-H142 PolarHBondContact O-N 3.37Å; L139-H142 VanDerWaalsContact O-N 3.16Å; T140-H142 PolarHBondContact O-N 2.77Å; H142-L144 VanDerWaalsContact C-N 3.29Å; H142-L144 PolarHBondContact O-N 3.24Å; H142-E145 VanDerWaalsContact O-CB 3.29Å; H142-E145 WeakPolarHBondContact O-CB 3.06Å; H142-E145 PolarHBondContact O-N 2.95Å; H142-L190 HydrophobicContact CB-CD2 4.38Å
143Y94.4Very high93.7Very high157 Ų15749.6 Ų49.662%0.61626%0.263SS*.Hα-helixtrans-64-36176.3177.3-99.2000112L139 T140 E145 N146 T147L139-Y143 PolarHBondContact O-N 3.26Å; T140-Y143 WeakPolarHBondContact O-CB 3.49Å; T140-Y143 PolarHBondContact O-N 3.49Å; Y143-E145 PolarHBondContact O-N 2.93Å; Y143-E145 VanDerWaalsContact O-N 3.15Å; Y143-N146 PolarHBondContact O-N 3.15Å; Y143-N146 VanDerWaalsContact O-N 3.14Å; Y143-T147 WeakPolarHBondContact CE1-OG1 3.43Å
144L94.4Very high93.6Very high1 Ų147.5 Ų47.51%0.00525%0.248CC..Hα-helixtrans-60.5-23.6179.5-68.8-175.6000113.7M79 T140 L141 H142 N146 T147 F148 L157M79-L144 HydrophobicContact CE-CD2 3.4Å; M79-L144 HydrophobicContact CG-CD1 4.03Å; M79-L144 HydrophobicContact CG-CD2 3.83Å; M79-L144 HydrophobicContact SD-CD2 3.94Å; T140-L144 HydrophobicContact CG2-CG 4.46Å; T140-L144 WeakPolarHBondContact O-CG 3.27Å; T140-L144 PolarHBondContact O-N 3.39Å; L141-L144 HydrophobicContact CD2-CD1 4.18Å; L141-L144 PolarHBondContact O-N 3.37Å; H142-L144 VanDerWaalsContact C-N 3.29Å; H142-L144 PolarHBondContact O-N 3.24Å; L144-N146 VanDerWaalsContact C-N 3.27Å; L144-N146 PolarHBondContact O-N 2.9Å; L144-T147 PolarHBondContact O-N 2.87Å; L144-F148 HydrophobicContact CB-CD2 3.95Å; L144-F148 HydrophobicContact CB-CE2 3.55Å; L144-F148 HydrophobicContact CB-CZ 4.35Å; L144-F148 HydrophobicContact CD1-CE2 4.06Å; L144-F148 HydrophobicContact CD1-CZ 4.22Å; L144-F148 HydrophobicContact CG-CE2 4.35Å; L144-F148 WeakPolarHBondContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CG 3.36Å; L144-F148 PolarHBondContact O-N 2.81Å; L144-L157 HydrophobicContact CD1-CD1 3.69Å; L144-L157 HydrophobicContact CD1-CD2 4.01Å
145E90.1Very high93.5Very high36 Ų3647.2 Ų47.217%0.16825%0.246CC..Hα-helixtrans-51-48.1173-166.5168.2158.500110.9H142 Y143 C149 R193 L194 Y198H142-E145 VanDerWaalsContact O-CB 3.29Å; H142-E145 WeakPolarHBondContact O-CB 3.06Å; H142-E145 PolarHBondContact O-N 2.95Å; Y143-E145 PolarHBondContact O-N 2.93Å; Y143-E145 VanDerWaalsContact O-N 3.15Å; E145-C149 PolarHBondContact O-N 2.85Å; E145-C149 PolarHBondContact O-SG 3.21Å; E145-R193 IonicContact OE1-NH1 2.97Å; E145-R193 IonicContact OE2-CZ 3.34Å; E145-R193 IonicContact OE2-NH1 2.74Å; E145-R193 PolarHBondContact OE2-NH1 3.41Å; E145-R193 IonicContact OE2-NH2 3.1Å; E145-L194 HydrophobicContact CB-CD2 4.07Å; E145-L194 HydrophobicContact CG-CD2 4.36Å; E145-Y198 HydrophobicContact CG-CE2 3.87Å; E145-Y198 WeakPolarHBondContact CG-OH 3.21Å; E145-Y198 PolarHBondContact O-OH 2.86Å
146N89.3Confident93.6Very high78 Ų7843.3 Ų43.342%0.41722%0.223SC..Hα-helixtrans-71.4-33.5177.3-66.5-35.6000112.9Y143 L144 C149 S150Y143-N146 PolarHBondContact O-N 3.15Å; Y143-N146 VanDerWaalsContact O-N 3.14Å; L144-N146 VanDerWaalsContact C-N 3.27Å; L144-N146 PolarHBondContact O-N 2.9Å; N146-C149 WeakPolarHBondContact O-CB 3.49Å; N146-C149 PolarHBondContact O-N 3.34Å; N146-S150 PolarHBondContact O-N 2.92Å; N146-S150 PolarHBondContact O-OG 3.27Å
147T92.3Very high93.6Very high17 Ų1740.2 Ų40.210%0.10421%0.208CC..Hα-helixtrans-67-46.3177.9-53.80000110.9M79 Y143 L144 C149 S150 R151 L154M79-T147 HydrophobicContact CE-CG2 4.29Å; Y143-T147 WeakPolarHBondContact CE1-OG1 3.43Å; L144-T147 PolarHBondContact O-N 2.87Å; T147-C149 VanDerWaalsContact C-N 3.31Å; T147-C149 PolarHBondContact O-N 3.42Å; T147-S150 PolarHBondContact O-N 3.38Å; T147-S150 PolarHBondContact O-OG 3.08Å; T147-R151 HydrophobicContact CG2-CG 4.42Å; T147-R151 WeakPolarHBondContact O-CB 3.49Å; T147-R151 WeakPolarHBondContact O-CG 3.35Å; T147-R151 PolarHBondContact O-N 2.83Å; T147-L154 HydrophobicContact CG2-CD2 3.76Å
148F91.6Very high93.7Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-66.2-33.4177.6-67.8-58.4000112.4R21 L144 S150 L154 L157 L194 Y198 I200R21-F148 PolarHBondContact NH2-O 2.84Å; L144-F148 HydrophobicContact CB-CD2 3.95Å; L144-F148 HydrophobicContact CB-CE2 3.55Å; L144-F148 HydrophobicContact CB-CZ 4.35Å; L144-F148 HydrophobicContact CD1-CE2 4.06Å; L144-F148 HydrophobicContact CD1-CZ 4.22Å; L144-F148 HydrophobicContact CG-CE2 4.35Å; L144-F148 WeakPolarHBondContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CG 3.36Å; L144-F148 PolarHBondContact O-N 2.81Å; F148-S150 VanDerWaalsContact C-N 3.34Å; F148-L154 HydrophobicContact CD1-CB 4.3Å; F148-L154 HydrophobicContact CD1-CD2 3.51Å; F148-L154 HydrophobicContact CD1-CG 3.76Å; F148-L154 HydrophobicContact CE1-CD2 3.47Å; F148-L154 VanDerWaalsContact CE1-CD2 3.47Å; F148-L154 HydrophobicContact CE1-CG 3.6Å; F148-L154 HydrophobicContact CG-CD2 4.48Å; F148-L154 HydrophobicContact CZ-CD2 4.39Å; F148-L157 HydrophobicContact CZ-CB 4.13Å; F148-L157 HydrophobicContact CZ-CD2 4.27Å; F148-L194 HydrophobicContact CD2-CD2 4.16Å; F148-L194 HydrophobicContact CE2-CD1 4.2Å; F148-L194 HydrophobicContact CE2-CD2 4.5Å; F148-Y198 HydrophobicContact CB-CD1 3.69Å; F148-Y198 HydrophobicContact CB-CD2 4.08Å; F148-Y198 HydrophobicContact CB-CE1 4.23Å; F148-Y198 HydrophobicContact CB-CG 3.6Å; F148-Y198 HydrophobicContact CD2-CD2 4.46Å; F148-Y198 HydrophobicContact CG-CG 4.38Å; F148-I200 HydrophobicContact CD1-CD1 4.48Å; F148-I200 HydrophobicContact CD1-CG2 3.65Å; F148-I200 HydrophobicContact CD2-CD1 4.26Å; F148-I200 HydrophobicContact CE1-CD1 3.88Å; F148-I200 HydrophobicContact CE1-CG2 3.74Å; F148-I200 HydrophobicContact CE2-CD1 3.63Å; F148-I200 HydrophobicContact CG-CG2 4.23Å; F148-I200 HydrophobicContact CZ-CD1 3.43Å; F148-I200 VanDerWaalsContact CZ-CD1 3.43Å; F148-I200 HydrophobicContact CZ-CG2 4.4Å
149C86.6Confident93.7Very high13 Ų1338.8 Ų38.89%0.08820%0.201CC..Hα-helixtrans-58.5-42.8171.1-78.90000112.9Q13 E145 N146 T147 Y198Q13-C149 HydrophobicContact CG-CB 3.87Å; E145-C149 PolarHBondContact O-N 2.85Å; E145-C149 PolarHBondContact O-SG 3.21Å; N146-C149 WeakPolarHBondContact O-CB 3.49Å; N146-C149 PolarHBondContact O-N 3.34Å; T147-C149 VanDerWaalsContact C-N 3.31Å; T147-C149 PolarHBondContact O-N 3.42Å; C149-Y198 HydrophobicContact CB-CE1 4.27Å; C149-Y198 WeakPolarHBondContact SG-CE1 3.42Å; C149-Y198 PolarHBondContact SG-OH 3.14Å
150S88.8Confident93.7Very high89 Ų8933.9 Ų33.962%0.62218%0.175SC*.Hα-helixtrans-92.4-12-171.352.50000113.7N146 T147 F148N146-S150 PolarHBondContact O-N 2.92Å; N146-S150 PolarHBondContact O-OG 3.27Å; T147-S150 PolarHBondContact O-N 3.38Å; T147-S150 PolarHBondContact O-OG 3.08Å; F148-S150 VanDerWaalsContact C-N 3.34Å
151R91.6Very high93.6Very high84 Ų8433.1 Ų33.132%0.31717%0.17SC..  trans-126.186.7-176.9-55.1-169.381.493.14.1111.1R21 E77 F127 T147 T153 L154R21-R151 PolarHBondContact NH1-O 2.74Å; E77-R151 IonicContact OE1-CZ 3.81Å; E77-R151 IonicContact OE1-NE 3.76Å; E77-R151 PolarHBondContact OE1-NE 3.2Å; E77-R151 IonicContact OE1-NH2 2.72Å; E77-R151 PolarHBondContact OE1-NH2 2.8Å; E77-R151 IonicContact OE2-CZ 3.9Å; E77-R151 IonicContact OE2-NE 2.92Å; E77-R151 PolarHBondContact OE2-NE 2.87Å; E77-R151 IonicContact OE2-NH2 3.82Å; F127-R151 VanDerWaalsContact CZ-NH2 3.27Å; T147-R151 HydrophobicContact CG2-CG 4.42Å; T147-R151 WeakPolarHBondContact O-CB 3.49Å; T147-R151 WeakPolarHBondContact O-CG 3.35Å; T147-R151 PolarHBondContact O-N 2.83Å; R151-T153 PolarHBondContact O-N 3.5Å; R151-L154 HydrophobicContact CB-CB 3.86Å; R151-L154 WeakPolarHBondContact O-CB 3.42Å; R151-L154 PolarHBondContact O-N 2.85Å; R151-L154 VanDerWaalsContact O-N 3.16Å
152P87.3Confident93.6Very high51 Ų5133.4 Ų33.433%0.33117%0.172SC..THydrogen-bonded Turntrans-65.2-23.3179.125.4-33.3000113.1A16 R21 L154A16-P152 HydrophobicContact CB-CB 4.35Å; R21-P152 VanDerWaalsContact NH1-CA 3.33Å; R21-P152 PolarHBondContact NH1-O 2.89Å; P152-L154 VanDerWaalsContact C-N 3.31Å; P152-L154 PolarHBondContact O-N 3.12Å
153T91.2Very high93.5Very high68 Ų6829.5 Ų29.542%0.41715%0.154SC..THydrogen-bonded Turntrans-73.2-17.1174.841.10000114.3E77 R151 C155E77-T153 PolarHBondContact N-O 3.35Å; E77-T153 PolarHBondContact OE2-OG1 3.34Å; R151-T153 PolarHBondContact O-N 3.5Å; T153-C155 PolarHBondContact O-N 2.97Å; T153-C155 PolarHBondContact O-SG 2.91Å
154L95Very high93.6Very high0 Ų023 Ų230%013%0.133CC..EExtended strand (participates in β ladder)trans-77.389.6179.5-175.761.2000111.8R21 E77 M79 F127 T147 F148 R151 P152R21-L154 VanDerWaalsContact CZ-O 3.23Å; R21-L154 PolarHBondContact NH1-O 3.11Å; E77-L154 HydrophobicContact CB-CB 4.14Å; E77-L154 HydrophobicContact CB-CD1 3.87Å; E77-L154 WeakPolarHBondContact O-CD1 3.5Å; M79-L154 HydrophobicContact CB-CD1 4Å; M79-L154 HydrophobicContact CB-CD2 4.4Å; F127-L154 HydrophobicContact CD2-CD1 4.46Å; T147-L154 HydrophobicContact CG2-CD2 3.76Å; F148-L154 HydrophobicContact CD1-CB 4.3Å; F148-L154 HydrophobicContact CD1-CD2 3.51Å; F148-L154 HydrophobicContact CD1-CG 3.76Å; F148-L154 HydrophobicContact CE1-CD2 3.47Å; F148-L154 VanDerWaalsContact CE1-CD2 3.47Å; F148-L154 HydrophobicContact CE1-CG 3.6Å; F148-L154 HydrophobicContact CG-CD2 4.48Å; F148-L154 HydrophobicContact CZ-CD2 4.39Å; R151-L154 HydrophobicContact CB-CB 3.86Å; R151-L154 WeakPolarHBondContact O-CB 3.42Å; R151-L154 PolarHBondContact O-N 2.85Å; R151-L154 VanDerWaalsContact O-N 3.16Å; P152-L154 VanDerWaalsContact C-N 3.31Å; P152-L154 PolarHBondContact O-N 3.12Å
155C93.8Very high93.6Very high3 Ų324.3 Ų24.32%0.0214%0.139CC..EExtended strand (participates in β ladder)trans-97.1-24.2-169.9-57.10000113.7V76 E77 T153 V201V76-C155 HydrophobicContact CB-CB 4.18Å; V76-C155 HydrophobicContact CG1-CB 4.32Å; V76-C155 HydrophobicContact CG2-CB 4.46Å; E77-C155 PolarHBondContact O-N 3Å; E77-C155 VanDerWaalsContact O-N 3.15Å; T153-C155 PolarHBondContact O-N 2.97Å; T153-C155 PolarHBondContact O-SG 2.91Å; C155-V201 PolarHBondContact O-N 3.12Å
156L97.8Very high93.8Very high1 Ų122.9 Ų22.91%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-122.8128.7-171.9178.261.1000111.5L24 V78 M79 V158 V201 F203L24-L156 HydrophobicContact CD1-CB 4.1Å; L24-L156 HydrophobicContact CD1-CD1 4.28Å; V78-L156 WeakPolarHBondContact CA-O 3.27Å; V78-L156 HydrophobicContact CG1-CB 4.31Å; V78-L156 HydrophobicContact CG1-CD2 3.99Å; V78-L156 HydrophobicContact CG1-CG 4.1Å; V78-L156 HydrophobicContact CG2-CB 4.23Å; V78-L156 HydrophobicContact CG2-CD2 4.12Å; M79-L156 PolarHBondContact N-O 3.38Å; L156-V158 HydrophobicContact CD1-CG2 4.36Å; L156-V158 HydrophobicContact CD2-CG2 3.96Å; L156-V158 HydrophobicContact CG-CG2 3.93Å; L156-V201 HydrophobicContact CD1-CB 4.48Å; L156-F203 HydrophobicContact CD1-CB 4.25Å; L156-F203 HydrophobicContact CD1-CD2 3.38Å; L156-F203 HydrophobicContact CD1-CE2 4Å; L156-F203 HydrophobicContact CD1-CG 4.08Å
157L98.6Very high93.9Very high0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-109.3117.5166.2174.858.5000109.2M79 V81 L141 L144 F148 I159 L191 I200 V201 V202 F203M79-L157 HydrophobicContact CB-CD1 3.95Å; M79-L157 HydrophobicContact CG-CD1 3.62Å; M79-L157 CarbonylContact O-C 3.56Å; M79-L157 WeakPolarHBondContact O-CA 3.27Å; V81-L157 HydrophobicContact CG2-CD1 3.89Å; L141-L157 HydrophobicContact CD2-CD2 4Å; L144-L157 HydrophobicContact CD1-CD1 3.69Å; L144-L157 HydrophobicContact CD1-CD2 4.01Å; F148-L157 HydrophobicContact CZ-CB 4.13Å; F148-L157 HydrophobicContact CZ-CD2 4.27Å; L157-I159 HydrophobicContact CD1-CG1 4.42Å; L157-I159 HydrophobicContact CD2-CD1 4.33Å; L157-I159 HydrophobicContact CG-CD1 4.46Å; L157-I159 HydrophobicContact CG-CG1 4.15Å; L157-L191 HydrophobicContact CD2-CD2 3.71Å; L157-I200 HydrophobicContact CB-CD1 4.21Å; L157-I200 HydrophobicContact CD2-CD1 4.4Å; L157-V201 PolarHBondContact N-O 2.82Å; L157-V202 HydrophobicContact CB-CG2 4.16Å; L157-V202 HydrophobicContact CD2-CG2 4.19Å; L157-V202 HydrophobicContact CG-CG2 4.47Å; L157-V202 CarbonylContact O-C 3.56Å; L157-V202 VanDerWaalsContact O-CA 3.29Å; L157-V202 WeakPolarHBondContact O-CA 3.42Å; L157-F203 PolarHBondContact O-N 3.12Å
158V98.7Very high93.9Very high0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-99.8134.9172.3-179.10000109.3M58 V62 V78 M79 Y80 V81 L156 F203M58-V158 HydrophobicContact CE-CG1 3.84Å; M58-V158 HydrophobicContact CG-CG1 3.66Å; M58-V158 HydrophobicContact SD-CB 4.4Å; M58-V158 HydrophobicContact SD-CG1 3.51Å; M58-V158 VanDerWaalsContact SD-CG1 3.51Å; M58-V158 HydrophobicContact SD-CG2 3.99Å; V62-V158 HydrophobicContact CG2-CG2 4.1Å; V78-V158 HydrophobicContact CG1-CG2 4.05Å; M79-V158 PolarHBondContact O-N 2.73Å; Y80-V158 HydrophobicContact CD2-CB 3.74Å; Y80-V158 HydrophobicContact CD2-CG1 3.62Å; Y80-V158 HydrophobicContact CD2-CG2 4.25Å; Y80-V158 HydrophobicContact CE2-CB 4.15Å; Y80-V158 HydrophobicContact CE2-CG1 3.48Å; Y80-V158 VanDerWaalsContact CE2-CG1 3.48Å; Y80-V158 HydrophobicContact CG-CB 4.2Å; Y80-V158 HydrophobicContact CG-CG1 4.24Å; V81-V158 PolarHBondContact N-O 2.86Å; L156-V158 HydrophobicContact CD1-CG2 4.36Å; L156-V158 HydrophobicContact CD2-CG2 3.96Å; L156-V158 HydrophobicContact CG-CG2 3.93Å; V158-F203 CarbonylContact C-O 3.57Å; V158-F203 VanDerWaalsContact CA-O 3.25Å; V158-F203 WeakPolarHBondContact CA-O 3.31Å; V158-F203 HydrophobicContact CG2-CB 4.37Å
159I98.6Very high94Very high0 Ų028.7 Ų28.70%016%0.159CC..EExtended strand (participates in β ladder)trans-127.3104.7173.4-51.6176.6000108.7V81 T83 L137 L141 L157 I162 L191 V202 F203 A204 T205V81-I159 HydrophobicContact CB-CG1 4.48Å; V81-I159 WeakPolarHBondContact O-CA 3.29Å; T83-I159 HydrophobicContact CG2-CG2 4.36Å; L137-I159 HydrophobicContact CD1-CG2 4.44Å; L141-I159 HydrophobicContact CD2-CD1 4.32Å; L157-I159 HydrophobicContact CD1-CG1 4.42Å; L157-I159 HydrophobicContact CD2-CD1 4.33Å; L157-I159 HydrophobicContact CG-CD1 4.46Å; L157-I159 HydrophobicContact CG-CG1 4.15Å; I159-I162 HydrophobicContact CD1-CD1 4.22Å; I159-I162 HydrophobicContact CG2-CB 4.23Å; I159-I162 HydrophobicContact CG2-CD1 4.27Å; I159-L191 HydrophobicContact CD1-CD1 3.98Å; I159-L191 HydrophobicContact CD1-CD2 3.99Å; I159-V202 HydrophobicContact CD1-CG1 4.38Å; I159-F203 PolarHBondContact N-O 2.83Å; I159-A204 HydrophobicContact CB-CB 4.25Å; I159-A204 CarbonylContact O-C 3.52Å; I159-A204 VanDerWaalsContact O-CA 3.22Å; I159-A204 WeakPolarHBondContact O-CA 3.44Å; I159-T205 PolarHBondContact O-N 2.92Å
160D96.9Very high94.3Very high11 Ų1131.7 Ų31.76%0.05917%0.169CC..EExtended strand (participates in β ladder)trans-115.291179.9-168.118.6000109.2Y80 V81 T83 T205Y80-D160 HydrophobicContact CE1-CB 3.78Å; Y80-D160 VanDerWaalsContact OH-CB 3.25Å; Y80-D160 WeakPolarHBondContact OH-CB 3.34Å; Y80-D160 PolarHBondContact OH-OD2 2.95Å; V81-D160 PolarHBondContact O-N 2.72Å; T83-D160 PolarHBondContact N-O 2.83Å; T83-D160 PolarHBondContact OG1-O 2.84Å; D160-T205 WeakPolarHBondContact CA-OG1 3.44Å; D160-T205 HydrophobicContact CB-CG2 4.3Å; D160-T205 WeakPolarHBondContact OD1-CB 3.36Å; D160-T205 WeakPolarHBondContact OD1-CG2 3.45Å; D160-T205 PolarHBondContact OD1-OG1 3.11Å
161S95.6Very high94.4Very high1 Ų132.1 Ų32.11%0.00717%0.171CC..THydrogen-bonded Turncis-121.5149.23.8760000113.3T83 D84 S163 A164 T205 H207T83-S161 PolarHBondContact OG1-N 3.23Å; T83-S161 PolarHBondContact OG1-O 2.87Å; D84-S161 PolarHBondContact OD2-N 2.86Å; D84-S161 PolarHBondContact OD2-OG 2.89Å; S161-S163 PolarHBondContact O-N 3.08Å; S161-S163 VanDerWaalsContact O-N 3.13Å; S161-S163 PolarHBondContact OG-OG 2.87Å; S161-A164 PolarHBondContact O-N 3.46Å; S161-A164 PolarHBondContact OG-N 2.93Å; S161-A164 VanDerWaalsContact OG-N 3.13Å; S161-T205 WeakPolarHBondContact CA-O 3.34Å; S161-T205 VanDerWaalsContact CA-OG1 3.22Å; S161-T205 WeakPolarHBondContact CA-OG1 3.18Å; S161-T205 VanDerWaalsContact CB-O 3.3Å; S161-T205 WeakPolarHBondContact CB-O 3.25Å; S161-T205 WeakPolarHBondContact CB-OG1 3.41Å; S161-H207 PolarHBondContact OG-CE1 2.85Å; S161-H207 PolarHBondContact OG-ND1 2.9Å
162I96.6Very high94.4Very high7 Ų731.3 Ų31.34%0.03619%0.189CC..THydrogen-bonded Turntrans-65.8-18.6174.8-168.759.2000112.5L137 I159 L184 L191 A204 T205 T206 L254 W258L137-I162 HydrophobicContact CD2-CD1 4.25Å; I159-I162 HydrophobicContact CD1-CD1 4.22Å; I159-I162 HydrophobicContact CG2-CB 4.23Å; I159-I162 HydrophobicContact CG2-CD1 4.27Å; I162-L184 HydrophobicContact CD1-CD1 4.23Å; I162-L184 HydrophobicContact CG1-CD1 3.93Å; I162-L191 HydrophobicContact CD1-CD1 4.3Å; I162-A204 HydrophobicContact CB-CB 4.04Å; I162-A204 HydrophobicContact CG2-CB 3.96Å; I162-T205 WeakPolarHBondContact CG2-O 3.28Å; I162-T205 PolarHBondContact N-O 2.82Å; I162-T206 HydrophobicContact CG2-CG2 3.59Å; I162-L254 HydrophobicContact CG2-CD1 4.14Å; I162-W258 HydrophobicContact CB-CH2 4.33Å; I162-W258 HydrophobicContact CB-CZ2 4.47Å; I162-W258 HydrophobicContact CD1-CZ3 4.44Å; I162-W258 HydrophobicContact CG1-CD2 4.31Å; I162-W258 HydrophobicContact CG1-CE3 3.93Å; I162-W258 HydrophobicContact CG1-CH2 4.13Å; I162-W258 HydrophobicContact CG1-CZ2 4.48Å; I162-W258 HydrophobicContact CG1-CZ3 3.83Å; I162-W258 HydrophobicContact CG2-CD2 4.38Å; I162-W258 HydrophobicContact CG2-CH2 4.03Å; I162-W258 HydrophobicContact CG2-CZ2 3.69Å; I162-W258 HydrophobicContact CG2-CZ3 4.5Å
163S95.1Very high94.4Very high2 Ų229.4 Ų29.41%0.01418%0.179CC..THydrogen-bonded Turntrans-92-9-17762.50000115.1S161 F165 Y166 T206 H207 Y253S161-S163 PolarHBondContact O-N 3.08Å; S161-S163 VanDerWaalsContact O-N 3.13Å; S161-S163 PolarHBondContact OG-OG 2.87Å; S163-F165 VanDerWaalsContact C-N 3.3Å; S163-F165 PolarHBondContact O-N 3.44Å; S163-F165 VanDerWaalsContact O-N 3.16Å; S163-Y166 VanDerWaalsContact O-CB 3.28Å; S163-Y166 WeakPolarHBondContact O-CB 3.47Å; S163-Y166 PolarHBondContact O-N 3.28Å; S163-T206 WeakPolarHBondContact OG-CA 3.46Å; S163-H207 PolarHBondContact OG-N 3.16Å; S163-H207 PolarHBondContact OG-ND1 3.35Å; S163-Y253 VanDerWaalsContact CB-OH 3.26Å; S163-Y253 WeakPolarHBondContact CB-OH 3.33Å
164A95.1Very high94.4Very high22 Ų2228.4 Ų28.418%0.18218%0.182CC..THydrogen-bonded Turntrans-49.2-47.2-169.200000113.9T83 D84 S161T83-A164 WeakPolarHBondContact OG1-CB 3.27Å; D84-A164 WeakPolarHBondContact OD1-CB 3.46Å; S161-A164 PolarHBondContact O-N 3.46Å; S161-A164 PolarHBondContact OG-N 2.93Å; S161-A164 VanDerWaalsContact OG-N 3.13Å
165F95.4Very high94.1Very high28 Ų2837.8 Ų37.812%0.12323%0.226CC..THydrogen-bonded Turntrans-93.7-1.2-174.9-48.7-58.7000114T83 C131 S132 S133 S134 L137 S163 W167 V168 D169T83-F165 HydrophobicContact CG2-CE2 3.94Å; T83-F165 HydrophobicContact CG2-CZ 4.36Å; C131-F165 WeakPolarHBondContact O-CZ 3.47Å; S132-F165 VanDerWaalsContact C-CE1 3.43Å; S132-F165 WeakPolarHBondContact O-CE1 3.4Å; S133-F165 VanDerWaalsContact C-CD2 3.41Å; S133-F165 VanDerWaalsContact N-CZ 3.31Å; S133-F165 WeakPolarHBondContact O-CE2 3.28Å; S134-F165 VanDerWaalsContact N-CG 3.34Å; L137-F165 HydrophobicContact CB-CE2 4.27Å; L137-F165 HydrophobicContact CD2-CD2 4.43Å; L137-F165 HydrophobicContact CD2-CE2 4.44Å; S163-F165 VanDerWaalsContact C-N 3.3Å; S163-F165 PolarHBondContact O-N 3.44Å; S163-F165 VanDerWaalsContact O-N 3.16Å; F165-W167 PolarHBondContact O-N 2.99Å; F165-V168 PolarHBondContact O-N 3.26Å; F165-D169 PolarHBondContact O-N 2.85Å
166Y93.6Very high94.1Very high5 Ų540 Ų402%0.0224%0.241CC..Hα-helixtrans-56.6-47.8-169.6177.2-101.2000112.6S163 R170 E181 L184 Y253 L254S163-Y166 VanDerWaalsContact O-CB 3.28Å; S163-Y166 WeakPolarHBondContact O-CB 3.47Å; S163-Y166 PolarHBondContact O-N 3.28Å; Y166-R170 VanDerWaalsContact O-CB 3.29Å; Y166-R170 WeakPolarHBondContact O-CB 3.38Å; Y166-R170 PolarHBondContact O-N 2.85Å; Y166-R170 PolarHBondContact OH-NH1 3Å; Y166-E181 HydrophobicContact CE2-CG 4.25Å; Y166-E181 PolarHBondContact OH-OE1 2.97Å; Y166-E181 VanDerWaalsContact OH-OE1 3.08Å; Y166-L184 HydrophobicContact CD2-CD2 3.65Å; Y166-L184 HydrophobicContact CE2-CD2 4.03Å; Y166-Y253 AromaticContact CD1-CD2 3.73Å; Y166-Y253 HydrophobicContact CD1-CD2 3.73Å; Y166-Y253 AromaticContact CD1-CE2 3.72Å; Y166-Y253 HydrophobicContact CD1-CE2 3.72Å; Y166-Y253 AromaticContact CE1-CD2 3.64Å; Y166-Y253 HydrophobicContact CE1-CD2 3.64Å; Y166-Y253 HydrophobicContact CE1-CE2 4.15Å; Y166-Y253 HydrophobicContact CG-CE2 4.27Å; Y166-Y253 PolarHBondContact OH-O 3.35Å; Y166-L254 HydrophobicContact CD1-CD2 4.32Å; Y166-L254 HydrophobicContact CD2-CD2 3.8Å; Y166-L254 HydrophobicContact CE2-CD2 4.35Å; Y166-L254 HydrophobicContact CG-CD2 3.77Å
167W91.7Very high93.7Very high87 Ų8743.7 Ų43.733%0.3326%0.264SS..Hα-helixtrans-74.8-31.4-176-65.5112.1000113.3F165 R170 S171 I209 M210 Y253F165-W167 PolarHBondContact O-N 2.99Å; W167-R170 PolarHBondContact O-N 2.86Å; W167-S171 PolarHBondContact O-N 3.42Å; W167-S171 PolarHBondContact O-OG 3.4Å; W167-I209 VanDerWaalsContact NE1-CD1 3.31Å; W167-M210 HydrophobicContact CH2-CG 4.45Å; W167-M210 HydrophobicContact CH2-SD 4.1Å; W167-M210 HydrophobicContact CZ2-CG 4.14Å; W167-M210 HydrophobicContact CZ2-SD 4.28Å; W167-Y253 HydrophobicContact CH2-CD2 4.43Å; W167-Y253 AromaticContact CZ2-CD2 3.68Å; W167-Y253 HydrophobicContact CZ2-CD2 3.68Å; W167-Y253 HydrophobicContact CZ2-CE2 4.1Å; W167-Y253 HydrophobicContact CZ2-CG 4.23Å; W167-Y253 AromaticContact NE1-CE2 3.91Å
168V92.7Very high93.3Very high101 Ų10146.2 Ų46.261%0.61229%0.285SS*.Hα-helixtrans-68.6-44.2174.8178.70000110.4F165 R170 S171 G172F165-V168 PolarHBondContact O-N 3.26Å; V168-R170 VanDerWaalsContact C-N 3.29Å; V168-R170 PolarHBondContact O-N 3.47Å; V168-S171 PolarHBondContact O-N 3.48Å; V168-S171 PolarHBondContact O-OG 3.12Å; V168-G172 PolarHBondContact O-N 3.03Å; V168-G172 VanDerWaalsContact O-N 3.08Å
169D93.8Very high93Very high29 Ų2953.3 Ų53.316%0.15532%0.315CS..Hα-helixtrans-63.7-39174.3-72.4-17.4000111.3S134 F165 G172 G173 Q180 N183S134-D169 WeakPolarHBondContact CB-OD1 3.3Å; S134-D169 WeakPolarHBondContact CB-OD2 3.35Å; S134-D169 VanDerWaalsContact OG-CG 3.28Å; S134-D169 PolarHBondContact OG-OD1 2.9Å; S134-D169 PolarHBondContact OG-OD2 2.95Å; S134-D169 VanDerWaalsContact OG-OD2 3.08Å; F165-D169 PolarHBondContact O-N 2.85Å; D169-G172 PolarHBondContact O-N 3.34Å; D169-G173 PolarHBondContact O-N 2.9Å; D169-Q180 CarbonylContact C-O 3.58Å; D169-N183 PolarHBondContact OD1-ND2 3.16Å; D169-N183 WeakPolarHBondContact OD2-CB 3.33Å; D169-N183 PolarHBondContact OD2-ND2 3.16Å
170R91.7Very high92.7Very high77 Ų7754.6 Ų54.629%0.29132%0.322SS..Hα-helixtrans-64-41.4178.7-158.8-172.6-174.6130.83112.1Y166 W167 V168 G173 Q180Y166-R170 VanDerWaalsContact O-CB 3.29Å; Y166-R170 WeakPolarHBondContact O-CB 3.38Å; Y166-R170 PolarHBondContact O-N 2.85Å; Y166-R170 PolarHBondContact OH-NH1 3Å; W167-R170 PolarHBondContact O-N 2.86Å; V168-R170 VanDerWaalsContact C-N 3.29Å; V168-R170 PolarHBondContact O-N 3.47Å; R170-G173 PolarHBondContact O-N 3.44Å; R170-Q180 HydrophobicContact CB-CB 4.45Å; R170-Q180 HydrophobicContact CG-CB 3.85Å; R170-Q180 HydrophobicContact CG-CG 4.03Å; R170-Q180 VanDerWaalsContact NE-OE1 3.14Å; R170-Q180 WeakPolarHBondContact O-CG 3.27Å
171S92.1Very high92.5Very high97 Ų9755.6 Ų55.668%0.67833%0.326SS*.Hα-helixtrans-69-36.6176.466.50000111.8W167 V168 G173W167-S171 PolarHBondContact O-N 3.42Å; W167-S171 PolarHBondContact O-OG 3.4Å; V168-S171 PolarHBondContact O-N 3.48Å; V168-S171 PolarHBondContact O-OG 3.12Å; S171-G173 VanDerWaalsContact C-N 3.34Å; S171-G173 PolarHBondContact O-N 3.35Å
172G91.5Very high92.5Very high67 Ų6756.6 Ų56.669%0.69134%0.335SS*.Hα-helixtrans-71.4-21.4176.800000115.1V168 D169 G174V168-G172 PolarHBondContact O-N 3.03Å; V168-G172 VanDerWaalsContact O-N 3.08Å; D169-G172 PolarHBondContact O-N 3.34Å; G172-G174 VanDerWaalsContact C-N 3.3Å; G172-G174 PolarHBondContact O-N 3.16Å
173G87.3Confident92.4Very high12 Ų1258 Ų5812%0.12434%0.342CS..THydrogen-bonded Turntrans-75.5-6-175.400000116.5D169 R170 S171 K179D169-G173 PolarHBondContact O-N 2.9Å; R170-G173 PolarHBondContact O-N 3.44Å; S171-G173 VanDerWaalsContact C-N 3.34Å; S171-G173 PolarHBondContact O-N 3.35Å; G173-K179 WeakPolarHBondContact O-CB 3.47Å
174G90.9Very high92.4Very high46 Ų4658.4 Ų58.447%0.47434%0.344SS..THydrogen-bonded Turntrans64-143.7-175.900000112.3G172 S176 Q180G172-G174 VanDerWaalsContact C-N 3.3Å; G172-G174 PolarHBondContact O-N 3.16Å; G174-S176 VanDerWaalsContact C-N 3.33Å; G174-S176 PolarHBondContact O-N 3.39Å; G174-Q180 PolarHBondContact O-NE2 3.05Å
175E89.6Confident92.5Very high197 Ų19760.8 Ų60.892%0.92135%0.348SS*.THydrogen-bonded Turntrans-78.8-12.9-176.4-61.1-177.3163.200114.4V177E175-V177 PolarHBondContact O-N 3.07Å
176S93Very high92.6Very high50 Ų5064.3 Ų64.335%0.3536%0.364SS..  trans-90.3109.3-174.2-178.90000111.6G174 A178 K179 Q180G174-S176 VanDerWaalsContact C-N 3.33Å; G174-S176 PolarHBondContact O-N 3.39Å; S176-A178 PolarHBondContact O-N 2.98Å; S176-A178 VanDerWaalsContact O-N 3.09Å; S176-K179 WeakPolarHBondContact O-CA 3.48Å; S176-K179 PolarHBondContact O-N 2.91Å; S176-Q180 WeakPolarHBondContact O-CG 3.46Å; S176-Q180 PolarHBondContact O-N 3.18Å
177V88.5Confident92.7Very high79 Ų7964.2 Ų64.248%0.47936%0.364SS..Hα-helixtrans-52.5-34.7172.7179.80000111.7E175 K179 Q180 E181E175-V177 PolarHBondContact O-N 3.07Å; V177-K179 VanDerWaalsContact C-N 3.31Å; V177-K179 PolarHBondContact O-N 2.78Å; V177-Q180 PolarHBondContact O-N 2.88Å; V177-E181 HydrophobicContact CG1-CG 4.32Å; V177-E181 PolarHBondContact O-N 2.52Å
178A91.3Very high93Very high53 Ų5360.1 Ų60.144%0.43835%0.348SS..Hα-helixtrans-61.1-39.3177.600000112.8S176 A182 R185S176-A178 PolarHBondContact O-N 2.98Å; S176-A178 VanDerWaalsContact O-N 3.09Å; A178-A182 WeakPolarHBondContact O-CB 3.45Å; A178-A182 PolarHBondContact O-N 3.44Å; A178-R185 PolarHBondContact O-NH1 2.81Å; A178-R185 PolarHBondContact O-NH2 2.84Å
179K92.3Very high93.2Very high148 Ų14860.3 Ų60.364%0.64334%0.342SS*.Hα-helixtrans-77.6-43.6175.5-68.5-176.2179179.80111.7G173 S176 V177 E181 A182G173-K179 WeakPolarHBondContact O-CB 3.47Å; S176-K179 WeakPolarHBondContact O-CA 3.48Å; S176-K179 PolarHBondContact O-N 2.91Å; V177-K179 VanDerWaalsContact C-N 3.31Å; V177-K179 PolarHBondContact O-N 2.78Å; K179-E181 PolarHBondContact O-N 3.39Å; K179-A182 VanDerWaalsContact O-CB 3.3Å; K179-A182 WeakPolarHBondContact O-CB 3.42Å; K179-A182 PolarHBondContact O-N 2.77Å; K179-A182 VanDerWaalsContact O-N 3.11Å
180Q91.9Very high93.4Very high28 Ų2859.1 Ų59.113%0.13134%0.336CS..Hα-helixtrans-53.6-39.1177-70.7-174.4-1.800112.6D169 R170 G174 S176 V177D169-Q180 CarbonylContact C-O 3.58Å; R170-Q180 HydrophobicContact CB-CB 4.45Å; R170-Q180 HydrophobicContact CG-CB 3.85Å; R170-Q180 HydrophobicContact CG-CG 4.03Å; R170-Q180 VanDerWaalsContact NE-OE1 3.14Å; R170-Q180 WeakPolarHBondContact O-CG 3.27Å; G174-Q180 PolarHBondContact O-NE2 3.05Å; S176-Q180 WeakPolarHBondContact O-CG 3.46Å; S176-Q180 PolarHBondContact O-N 3.18Å; V177-Q180 PolarHBondContact O-N 2.88Å
181E93.3Very high93.7Very high31 Ų3155.5 Ų55.515%0.14532%0.322CS..THydrogen-bonded Turntrans-103.510.1-178.8-57.7-168.8151.900113.3Y166 V177 K179 N183 R185 S255Y166-E181 HydrophobicContact CE2-CG 4.25Å; Y166-E181 PolarHBondContact OH-OE1 2.97Å; Y166-E181 VanDerWaalsContact OH-OE1 3.08Å; V177-E181 HydrophobicContact CG1-CG 4.32Å; V177-E181 PolarHBondContact O-N 2.52Å; K179-E181 PolarHBondContact O-N 3.39Å; E181-N183 PolarHBondContact O-N 3.4Å; E181-R185 VanDerWaalsContact O-CB 3.23Å; E181-R185 WeakPolarHBondContact O-CB 3.38Å; E181-R185 PolarHBondContact O-N 3.27Å; E181-S255 WeakPolarHBondContact OE2-CB 3.37Å
182A94.8Very high93.9Very high23 Ų2353.1 Ų53.119%0.1930%0.302CS..Hα-helixtrans-60.8-44.1-169.900000112.8A178 K179 K186A178-A182 WeakPolarHBondContact O-CB 3.45Å; A178-A182 PolarHBondContact O-N 3.44Å; K179-A182 VanDerWaalsContact O-CB 3.3Å; K179-A182 WeakPolarHBondContact O-CB 3.42Å; K179-A182 PolarHBondContact O-N 2.77Å; K179-A182 VanDerWaalsContact O-N 3.11Å; A182-K186 VanDerWaalsContact O-CG 3.27Å; A182-K186 WeakPolarHBondContact O-CG 3.37Å; A182-K186 PolarHBondContact O-N 2.8Å
183N95Very high94.1Very high35 Ų3554 Ų5419%0.18729%0.285CS..Hα-helixtrans-70.6-48.7-177.2-65.3-26.1000111.5S134 D169 E181 R185 K186 C187S134-N183 PolarHBondContact OG-ND2 3.43Å; D169-N183 PolarHBondContact OD1-ND2 3.16Å; D169-N183 WeakPolarHBondContact OD2-CB 3.33Å; D169-N183 PolarHBondContact OD2-ND2 3.16Å; E181-N183 PolarHBondContact O-N 3.4Å; N183-R185 VanDerWaalsContact C-N 3.26Å; N183-R185 PolarHBondContact O-N 3.16Å; N183-K186 PolarHBondContact O-N 3.42Å; N183-K186 VanDerWaalsContact O-N 3.12Å; N183-C187 PolarHBondContact O-N 2.76Å; N183-C187 PolarHBondContact O-SG 2.77Å; N183-C187 VanDerWaalsContact O-SG 3.34Å
184L95.7Very high94.5Very high12 Ų1253.5 Ų53.56%0.06328%0.279CS..Hα-helixtrans-59.7-37.5175.9179.762.1000112I162 Y166 C187 S188 L254I162-L184 HydrophobicContact CD1-CD1 4.23Å; I162-L184 HydrophobicContact CG1-CD1 3.93Å; Y166-L184 HydrophobicContact CD2-CD2 3.65Å; Y166-L184 HydrophobicContact CE2-CD2 4.03Å; L184-C187 PolarHBondContact O-N 3.27Å; L184-S188 WeakPolarHBondContact O-CB 3.3Å; L184-S188 PolarHBondContact O-N 2.64Å; L184-S188 PolarHBondContact O-OG 3.31Å; L184-L254 HydrophobicContact CD2-CB 4.07Å; L184-L254 HydrophobicContact CD2-CD2 3.85Å; L184-L254 HydrophobicContact CD2-CG 4.46Å
185R96Very high94.7Very high72 Ų7251.6 Ų51.627%0.27226%0.258SS..Hα-helixtrans-61-49.1174.3-173.6-174.2-54.711714.9111.1A178 E181 N183 C187 S188 E189 A257A178-R185 PolarHBondContact O-NH1 2.81Å; A178-R185 PolarHBondContact O-NH2 2.84Å; E181-R185 VanDerWaalsContact O-CB 3.23Å; E181-R185 WeakPolarHBondContact O-CB 3.38Å; E181-R185 PolarHBondContact O-N 3.27Å; N183-R185 VanDerWaalsContact C-N 3.26Å; N183-R185 PolarHBondContact O-N 3.16Å; R185-C187 PolarHBondContact O-N 2.96Å; R185-S188 WeakPolarHBondContact O-CB 3.28Å; R185-S188 PolarHBondContact O-N 2.82Å; R185-E189 WeakPolarHBondContact CG-OE1 3.42Å; R185-E189 WeakPolarHBondContact O-CG 3.23Å; R185-E189 PolarHBondContact O-N 3.49Å; R185-A257 HydrophobicContact CG-CB 4.17Å
186K96.9Very high94.8Very high102 Ų10248.3 Ų48.344%0.44324%0.237SC..Hα-helixtrans-60.8-42.6176.5-70.8170-176.41770112.2L138 A182 N183 S188 E189 L190L138-K186 HydrophobicContact CD1-CB 3.83Å; L138-K186 HydrophobicContact CD2-CB 4.11Å; L138-K186 HydrophobicContact CD2-CD 3.92Å; A182-K186 VanDerWaalsContact O-CG 3.27Å; A182-K186 WeakPolarHBondContact O-CG 3.37Å; A182-K186 PolarHBondContact O-N 2.8Å; N183-K186 PolarHBondContact O-N 3.42Å; N183-K186 VanDerWaalsContact O-N 3.12Å; K186-S188 VanDerWaalsContact C-N 3.33Å; K186-S188 PolarHBondContact O-N 3.29Å; K186-E189 PolarHBondContact O-N 2.72Å; K186-L190 VanDerWaalsContact O-CB 3.27Å; K186-L190 WeakPolarHBondContact O-CB 3.33Å; K186-L190 PolarHBondContact O-N 2.74Å
187C97.7Very high94.7Very high3 Ų348.6 Ų48.62%0.0224%0.235CC..Hα-helixtrans-60.6-43.8174.7-66.90000111.1L141 N183 L184 R185 L190 L191L141-C187 HydrophobicContact CD1-CB 3.86Å; N183-C187 PolarHBondContact O-N 2.76Å; N183-C187 PolarHBondContact O-SG 2.77Å; N183-C187 VanDerWaalsContact O-SG 3.34Å; L184-C187 PolarHBondContact O-N 3.27Å; R185-C187 PolarHBondContact O-N 2.96Å; C187-L190 PolarHBondContact O-N 3.2Å; C187-L191 WeakPolarHBondContact O-CB 3.37Å; C187-L191 VanDerWaalsContact O-CG 3.27Å; C187-L191 WeakPolarHBondContact O-CG 3.35Å; C187-L191 PolarHBondContact O-N 2.86Å
188S97.6Very high94.8Very high1 Ų146.1 Ų46.11%0.00722%0.217CC..Hα-helixtrans-62.1-49.5177.1-55.90000111.1L184 R185 K186 L190 L191 D192 W258 L261L184-S188 WeakPolarHBondContact O-CB 3.3Å; L184-S188 PolarHBondContact O-N 2.64Å; L184-S188 PolarHBondContact O-OG 3.31Å; R185-S188 WeakPolarHBondContact O-CB 3.28Å; R185-S188 PolarHBondContact O-N 2.82Å; K186-S188 VanDerWaalsContact C-N 3.33Å; K186-S188 PolarHBondContact O-N 3.29Å; S188-L190 VanDerWaalsContact C-N 3.25Å; S188-L190 PolarHBondContact O-N 2.95Å; S188-L191 PolarHBondContact O-N 3.33Å; S188-D192 VanDerWaalsContact O-CB 3.26Å; S188-D192 WeakPolarHBondContact O-CB 3.27Å; S188-D192 PolarHBondContact O-N 3.45Å; S188-W258 PolarHBondContact OG-N 2.78Å; S188-L261 WeakPolarHBondContact O-CD1 3.5Å
189E96.6Very high94.9Very high104 Ų10450.3 Ų50.349%0.48622%0.221SC..Hα-helixtrans-59.4-36177.4-71.5166.8-178.600112.4R185 K186 R193R185-E189 WeakPolarHBondContact CG-OE1 3.42Å; R185-E189 WeakPolarHBondContact O-CG 3.23Å; R185-E189 PolarHBondContact O-N 3.49Å; K186-E189 PolarHBondContact O-N 2.72Å; E189-R193 PolarHBondContact O-N 3.22Å
190L96.8Very high95Very high4 Ų443.2 Ų43.22%0.02119%0.191CC..Hα-helixtrans-72.3-46.6176.6179.857.4000112L138 L141 H142 K186 C187 S188 D192 R193 L194L138-L190 HydrophobicContact CD1-CD2 3.94Å; L141-L190 HydrophobicContact CB-CD2 3.33Å; L141-L190 HydrophobicContact CB-CG 3.96Å; L141-L190 HydrophobicContact CD1-CD2 4.44Å; H142-L190 HydrophobicContact CB-CD2 4.38Å; K186-L190 VanDerWaalsContact O-CB 3.27Å; K186-L190 WeakPolarHBondContact O-CB 3.33Å; K186-L190 PolarHBondContact O-N 2.74Å; C187-L190 PolarHBondContact O-N 3.2Å; S188-L190 VanDerWaalsContact C-N 3.25Å; S188-L190 PolarHBondContact O-N 2.95Å; L190-D192 VanDerWaalsContact C-N 3.26Å; L190-D192 PolarHBondContact O-N 2.94Å; L190-R193 WeakPolarHBondContact O-CB 3.48Å; L190-R193 PolarHBondContact O-N 3.2Å; L190-R193 VanDerWaalsContact O-N 3.11Å; L190-L194 HydrophobicContact CG-CD1 4.44Å; L190-L194 WeakPolarHBondContact O-CG 3.35Å; L190-L194 PolarHBondContact O-N 2.84Å
191L98.1Very high95.3Very high1 Ų142 Ų421%0.00519%0.185CC..Hα-helixtrans-57.3-42.6174.2-73.6169.8000111.4L141 L157 I159 I162 C187 S188 R193 L194 L195 V202 W258L141-L191 HydrophobicContact CD1-CD2 4.31Å; L141-L191 HydrophobicContact CD1-CG 4.1Å; L141-L191 HydrophobicContact CD2-CD2 3.71Å; L141-L191 HydrophobicContact CD2-CG 4.4Å; L157-L191 HydrophobicContact CD2-CD2 3.71Å; I159-L191 HydrophobicContact CD1-CD1 3.98Å; I159-L191 HydrophobicContact CD1-CD2 3.99Å; I162-L191 HydrophobicContact CD1-CD1 4.3Å; C187-L191 WeakPolarHBondContact O-CB 3.37Å; C187-L191 VanDerWaalsContact O-CG 3.27Å; C187-L191 WeakPolarHBondContact O-CG 3.35Å; C187-L191 PolarHBondContact O-N 2.86Å; S188-L191 PolarHBondContact O-N 3.33Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 2.95Å; L191-L194 HydrophobicContact CD2-CD1 4.49Å; L191-L194 PolarHBondContact O-N 3.4Å; L191-L194 VanDerWaalsContact O-N 3.1Å; L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 WeakPolarHBondContact O-CD1 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 3.11Å; L191-V202 HydrophobicContact CD2-CG2 4.19Å; L191-W258 HydrophobicContact CD1-CZ3 3.92Å
192D97.3Very high95.5Very high48 Ų4840.6 Ų40.626%0.25718%0.178SC..Hα-helixtrans-58.6-39.7175.7-174.439.8000112.7S188 L190 R196 L261S188-D192 VanDerWaalsContact O-CB 3.26Å; S188-D192 WeakPolarHBondContact O-CB 3.27Å; S188-D192 PolarHBondContact O-N 3.45Å; L190-D192 VanDerWaalsContact C-N 3.26Å; L190-D192 PolarHBondContact O-N 2.94Å; D192-R196 VanDerWaalsContact CG-CZ 3.44Å; D192-R196 VanDerWaalsContact CG-NH2 3.3Å; D192-R196 WeakPolarHBondContact O-CG 3.44Å; D192-R196 PolarHBondContact O-N 3.5Å; D192-R196 PolarHBondContact O-NE 3.3Å; D192-R196 PolarHBondContact O-NH2 3.18Å; D192-R196 IonicContact OD1-CZ 2.64Å; D192-R196 IonicContact OD1-NH1 3.92Å; D192-R196 PolarHBondContact OD1-NH1 3Å; D192-R196 IonicContact OD1-NH2 2.72Å; D192-R196 IonicContact OD2-CZ 3.45Å; D192-R196 IonicContact OD2-NH1 3.48Å; D192-R196 PolarHBondContact OD2-NH1 3.43Å; D192-R196 IonicContact OD2-NH2 3.81Å; D192-R196 PolarHBondContact OD2-NH2 3.18Å; D192-L261 HydrophobicContact CB-CD1 4.18Å; D192-L261 HydrophobicContact CB-CD2 3.52Å; D192-L261 HydrophobicContact CB-CG 4.5Å; D192-L261 VanDerWaalsContact OD1-CD2 3.31Å; D192-L261 WeakPolarHBondContact OD1-CD2 3.26Å
193R95.3Very high95.7Very high85 Ų8539.5 Ų39.532%0.32117%0.17SC..Hα-helixtrans-65.6-48.3170-69.6-166.4-58.7124.8-2111.6E145 E189 L190 L191 L195 R196 D197E145-R193 IonicContact OE1-NH1 2.97Å; E145-R193 IonicContact OE2-CZ 3.34Å; E145-R193 IonicContact OE2-NH1 2.74Å; E145-R193 PolarHBondContact OE2-NH1 3.41Å; E145-R193 IonicContact OE2-NH2 3.1Å; E189-R193 PolarHBondContact O-N 3.22Å; L190-R193 WeakPolarHBondContact O-CB 3.48Å; L190-R193 PolarHBondContact O-N 3.2Å; L190-R193 VanDerWaalsContact O-N 3.11Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 2.95Å; R193-L195 VanDerWaalsContact C-N 3.31Å; R193-L195 PolarHBondContact O-N 2.69Å; R193-R196 PolarHBondContact O-N 2.8Å; R193-D197 WeakPolarHBondContact O-CB 3.23Å; R193-D197 PolarHBondContact O-N 3.34Å
194L94.9Very high95.9Very high2 Ų237.9 Ų37.91%0.0116%0.161CC..Hα-helixtrans-59.2-42.6-178.1-65.9174.1000112.2E145 F148 L190 L191 Y198 I200E145-L194 HydrophobicContact CB-CD2 4.07Å; E145-L194 HydrophobicContact CG-CD2 4.36Å; F148-L194 HydrophobicContact CD2-CD2 4.16Å; F148-L194 HydrophobicContact CE2-CD1 4.2Å; F148-L194 HydrophobicContact CE2-CD2 4.5Å; L190-L194 HydrophobicContact CG-CD1 4.44Å; L190-L194 WeakPolarHBondContact O-CG 3.35Å; L190-L194 PolarHBondContact O-N 2.84Å; L191-L194 HydrophobicContact CD2-CD1 4.49Å; L191-L194 PolarHBondContact O-N 3.4Å; L191-L194 VanDerWaalsContact O-N 3.1Å; L194-Y198 HydrophobicContact CB-CD2 4.39Å; L194-Y198 HydrophobicContact CD2-CD2 3.79Å; L194-Y198 HydrophobicContact CD2-CE2 3.71Å; L194-Y198 WeakPolarHBondContact O-CB 3.43Å; L194-Y198 WeakPolarHBondContact O-CD2 3.4Å; L194-Y198 PolarHBondContact O-N 2.96Å; L194-I200 HydrophobicContact CB-CD1 4.2Å
195L95.1Very high95.9Very high6 Ų637.4 Ų37.43%0.03116%0.158CC..Hα-helixtrans-60.3-45.4176.3-72.1161.4000111.9V43 L191 R193 R199 I200 V202V43-L195 HydrophobicContact CG2-CD1 3.31Å; V43-L195 HydrophobicContact CG2-CD2 4.24Å; V43-L195 HydrophobicContact CG2-CG 4.41Å; L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 WeakPolarHBondContact O-CD1 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.46Å; L191-L195 PolarHBondContact O-N 3.11Å; R193-L195 VanDerWaalsContact C-N 3.31Å; R193-L195 PolarHBondContact O-N 2.69Å; L195-R199 VanDerWaalsContact O-CA 3.32Å; L195-R199 WeakPolarHBondContact O-CA 3.34Å; L195-R199 PolarHBondContact O-N 2.85Å; L195-R199 VanDerWaalsContact O-N 3.08Å; L195-I200 HydrophobicContact CD2-CG1 4.15Å; L195-I200 WeakPolarHBondContact CD2-O 3.22Å; L195-V202 HydrophobicContact CD2-CB 4.34Å; L195-V202 HydrophobicContact CD2-CG2 3.7Å; L195-V202 HydrophobicContact CG-CG2 4.2Å
196R92.8Very high95.8Very high128 Ų12834 Ų3448%0.48315%0.146SC..Hα-helixtrans-69-45.9179.2-77.8-170.7-68.1-97.3-6113.3D192 R193D192-R196 VanDerWaalsContact CG-CZ 3.44Å; D192-R196 VanDerWaalsContact CG-NH2 3.3Å; D192-R196 WeakPolarHBondContact O-CG 3.44Å; D192-R196 PolarHBondContact O-N 3.5Å; D192-R196 PolarHBondContact O-NE 3.3Å; D192-R196 PolarHBondContact O-NH2 3.18Å; D192-R196 IonicContact OD1-CZ 2.64Å; D192-R196 IonicContact OD1-NH1 3.92Å; D192-R196 PolarHBondContact OD1-NH1 3Å; D192-R196 IonicContact OD1-NH2 2.72Å; D192-R196 IonicContact OD2-CZ 3.45Å; D192-R196 IonicContact OD2-NH1 3.48Å; D192-R196 PolarHBondContact OD2-NH1 3.43Å; D192-R196 IonicContact OD2-NH2 3.81Å; D192-R196 PolarHBondContact OD2-NH2 3.18Å; R193-R196 PolarHBondContact O-N 2.8Å
197D90.9Very high95.5Very high55 Ų5532.3 Ų32.329%0.29414%0.139SC..Hα-helixtrans-81.8-37.1-169-66-24.6000111.4R17 R193R17-D197 PolarHBondContact NE-O 2.72Å; R193-D197 WeakPolarHBondContact O-CB 3.23Å; R193-D197 PolarHBondContact O-N 3.34Å
198Y91.4Very high94.9Very high27 Ų2733 Ų3311%0.10615%0.145CC..Hα-helixtrans-108.2-5.6-175.2-58.8-71.8000114.6R21 E145 F148 C149 L194 I200R21-Y198 PolarHBondContact NE-O 3.35Å; E145-Y198 HydrophobicContact CG-CE2 3.87Å; E145-Y198 WeakPolarHBondContact CG-OH 3.21Å; E145-Y198 PolarHBondContact O-OH 2.86Å; F148-Y198 HydrophobicContact CB-CD1 3.69Å; F148-Y198 HydrophobicContact CB-CD2 4.08Å; F148-Y198 HydrophobicContact CB-CE1 4.23Å; F148-Y198 HydrophobicContact CB-CG 3.6Å; F148-Y198 HydrophobicContact CD2-CD2 4.46Å; F148-Y198 HydrophobicContact CG-CG 4.38Å; C149-Y198 HydrophobicContact CB-CE1 4.27Å; C149-Y198 WeakPolarHBondContact SG-CE1 3.42Å; C149-Y198 PolarHBondContact SG-OH 3.14Å; L194-Y198 HydrophobicContact CB-CD2 4.39Å; L194-Y198 HydrophobicContact CD2-CD2 3.79Å; L194-Y198 HydrophobicContact CD2-CE2 3.71Å; L194-Y198 WeakPolarHBondContact O-CB 3.43Å; L194-Y198 WeakPolarHBondContact O-CD2 3.4Å; L194-Y198 PolarHBondContact O-N 2.96Å; Y198-I200 PolarHBondContact O-N 3.34Å
199R91.8Very high93.8Very high141 Ų14137.2 Ų37.253%0.53217%0.166SC..  trans5539.8176.5-61.6-68.7-168.8160.33.7112.6Q40 L195Q40-R199 HydrophobicContact CB-CB 3.96Å; Q40-R199 VanDerWaalsContact CB-O 3.25Å; Q40-R199 WeakPolarHBondContact CB-O 3.25Å; Q40-R199 HydrophobicContact CG-CB 4.36Å; Q40-R199 WeakPolarHBondContact CG-O 3.49Å; L195-R199 VanDerWaalsContact O-CA 3.32Å; L195-R199 WeakPolarHBondContact O-CA 3.34Å; L195-R199 PolarHBondContact O-N 2.85Å; L195-R199 VanDerWaalsContact O-N 3.08Å
200I95.1Very high92.2Very high0 Ų035.4 Ų35.40%016%0.159CC..  trans-86170.6174.163.8174.7000110.8G41 F148 L157 L194 L195 Y198 V202G41-I200 PolarHBondContact N-O 3.1Å; F148-I200 HydrophobicContact CD1-CD1 4.48Å; F148-I200 HydrophobicContact CD1-CG2 3.65Å; F148-I200 HydrophobicContact CD2-CD1 4.26Å; F148-I200 HydrophobicContact CE1-CD1 3.88Å; F148-I200 HydrophobicContact CE1-CG2 3.74Å; F148-I200 HydrophobicContact CE2-CD1 3.63Å; F148-I200 HydrophobicContact CG-CG2 4.23Å; F148-I200 HydrophobicContact CZ-CD1 3.43Å; F148-I200 VanDerWaalsContact CZ-CD1 3.43Å; F148-I200 HydrophobicContact CZ-CG2 4.4Å; L157-I200 HydrophobicContact CB-CD1 4.21Å; L157-I200 HydrophobicContact CD2-CD1 4.4Å; L194-I200 HydrophobicContact CB-CD1 4.2Å; L195-I200 HydrophobicContact CD2-CG1 4.15Å; L195-I200 WeakPolarHBondContact CD2-O 3.22Å; Y198-I200 PolarHBondContact O-N 3.34Å; I200-V202 HydrophobicContact CD1-CG2 4.26Å
201V97.6Very high90.4Very high2 Ų242 Ų421%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-111.6140.3166.8-175.20000108.8L24 P38 I39 C155 L156 L157 F203L24-V201 HydrophobicContact CB-CG2 4.29Å; L24-V201 HydrophobicContact CD1-CB 3.74Å; L24-V201 HydrophobicContact CD1-CG1 4.34Å; L24-V201 HydrophobicContact CD1-CG2 3.7Å; L24-V201 HydrophobicContact CG-CG2 4.16Å; P38-V201 HydrophobicContact CB-CG1 3.99Å; I39-V201 WeakPolarHBondContact O-CG2 3.29Å; C155-V201 PolarHBondContact O-N 3.12Å; L156-V201 HydrophobicContact CD1-CB 4.48Å; L157-V201 PolarHBondContact N-O 2.82Å; V201-F203 HydrophobicContact CG1-CD2 3.94Å; V201-F203 HydrophobicContact CG1-CE2 3.7Å
202V98.6Very high88.2Confident1 Ų145.1 Ų45.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-112.2127.3177175.30000109.9D42 V43 V44 L157 I159 L191 L195 I200D42-V202 PolarHBondContact O-N 3.3Å; V43-V202 CarbonylContact C-O 3.37Å; V43-V202 WeakPolarHBondContact CA-O 3.48Å; V43-V202 HydrophobicContact CG1-CB 4.27Å; V43-V202 HydrophobicContact CG1-CG1 4.2Å; V43-V202 HydrophobicContact CG2-CB 4.24Å; V44-V202 PolarHBondContact N-O 3.38Å; L157-V202 HydrophobicContact CB-CG2 4.16Å; L157-V202 HydrophobicContact CD2-CG2 4.19Å; L157-V202 HydrophobicContact CG-CG2 4.47Å; L157-V202 CarbonylContact O-C 3.56Å; L157-V202 VanDerWaalsContact O-CA 3.29Å; L157-V202 WeakPolarHBondContact O-CA 3.42Å; I159-V202 HydrophobicContact CD1-CG1 4.38Å; L191-V202 HydrophobicContact CD2-CG2 4.19Å; L195-V202 HydrophobicContact CD2-CB 4.34Å; L195-V202 HydrophobicContact CD2-CG2 3.7Å; L195-V202 HydrophobicContact CG-CG2 4.2Å; I200-V202 HydrophobicContact CD1-CG2 4.26Å
203F98.6Very high85.8Confident1 Ų151.9 Ų51.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-108.6129.8166.3-83.8-119.5000108.2I27 F32 P38 V44 F46 M58 L61 L156 L157 V158 I159 V201I27-F203 HydrophobicContact CG2-CZ 4.47Å; F32-F203 HydrophobicContact CE2-CE1 4.38Å; F32-F203 HydrophobicContact CE2-CZ 4.13Å; F32-F203 AromaticContact CZ-CE1 3.79Å; F32-F203 HydrophobicContact CZ-CE1 3.79Å; F32-F203 AromaticContact CZ-CZ 3.7Å; F32-F203 HydrophobicContact CZ-CZ 3.7Å; P38-F203 HydrophobicContact CB-CE2 4.43Å; P38-F203 HydrophobicContact CG-CE2 4.11Å; P38-F203 HydrophobicContact CG-CZ 3.95Å; V44-F203 HydrophobicContact CB-CD1 3.97Å; V44-F203 HydrophobicContact CB-CD2 4.01Å; V44-F203 HydrophobicContact CB-CE1 3.96Å; V44-F203 HydrophobicContact CB-CE2 4.04Å; V44-F203 HydrophobicContact CB-CG 4.01Å; V44-F203 HydrophobicContact CB-CZ 4.03Å; V44-F203 HydrophobicContact CG1-CD1 4.08Å; V44-F203 HydrophobicContact CG1-CE1 3.86Å; V44-F203 HydrophobicContact CG1-CZ 4.23Å; V44-F203 HydrophobicContact CG2-CD2 3.97Å; V44-F203 HydrophobicContact CG2-CE1 4.14Å; V44-F203 HydrophobicContact CG2-CE2 3.58Å; V44-F203 HydrophobicContact CG2-CG 4.45Å; V44-F203 HydrophobicContact CG2-CZ 3.68Å; V44-F203 CarbonylContact O-C 3.58Å; V44-F203 WeakPolarHBondContact O-CA 3.33Å; F46-F203 AromaticContact CE1-CD1 3.88Å; F46-F203 HydrophobicContact CE1-CD1 3.88Å; F46-F203 AromaticContact CE1-CE1 3.85Å; F46-F203 HydrophobicContact CE1-CE1 3.85Å; F46-F203 HydrophobicContact CE2-CD1 4.31Å; F46-F203 AromaticContact CZ-CD1 3.75Å; F46-F203 HydrophobicContact CZ-CD1 3.75Å; F46-F203 AromaticContact CZ-CE1 3.7Å; F46-F203 HydrophobicContact CZ-CE1 3.7Å; M58-F203 HydrophobicContact CE-CB 4.12Å; M58-F203 HydrophobicContact SD-CB 3.95Å; M58-F203 HydrophobicContact SD-CD1 4.22Å; M58-F203 HydrophobicContact SD-CG 4.49Å; L61-F203 HydrophobicContact CD1-CD1 3.89Å; L61-F203 HydrophobicContact CD1-CE1 3.38Å; L61-F203 HydrophobicContact CD1-CZ 4.2Å; L156-F203 HydrophobicContact CD1-CB 4.25Å; L156-F203 HydrophobicContact CD1-CD2 3.38Å; L156-F203 HydrophobicContact CD1-CE2 4Å; L156-F203 HydrophobicContact CD1-CG 4.08Å; L157-F203 PolarHBondContact O-N 3.12Å; V158-F203 CarbonylContact C-O 3.57Å; V158-F203 VanDerWaalsContact CA-O 3.25Å; V158-F203 WeakPolarHBondContact CA-O 3.31Å; V158-F203 HydrophobicContact CG2-CB 4.37Å; I159-F203 PolarHBondContact N-O 2.83Å; V201-F203 HydrophobicContact CG1-CD2 3.94Å; V201-F203 HydrophobicContact CG1-CE2 3.7Å
204A98.3Very high83.1Confident0 Ų050.4 Ų50.40%024%0.235CC..EExtended strand (participates in β ladder)trans-136.5136.9178.200000111.3V44 E45 F46 I159 I162 W258V44-A204 PolarHBondContact O-N 3.42Å; E45-A204 CarbonylContact C-O 3.56Å; E45-A204 WeakPolarHBondContact CA-O 3.43Å; F46-A204 PolarHBondContact N-O 3.08Å; I159-A204 HydrophobicContact CB-CB 4.25Å; I159-A204 CarbonylContact O-C 3.52Å; I159-A204 VanDerWaalsContact O-CA 3.22Å; I159-A204 WeakPolarHBondContact O-CA 3.44Å; I162-A204 HydrophobicContact CB-CB 4.04Å; I162-A204 HydrophobicContact CG2-CB 3.96Å; A204-W258 HydrophobicContact CB-CH2 3.46Å; A204-W258 VanDerWaalsContact CB-CH2 3.46Å; A204-W258 HydrophobicContact CB-CZ2 3.76Å
205T96.9Very high80.5Confident2 Ų257.7 Ų57.71%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-90.1154.1170.873.20000110.4F46 M58 I159 D160 S161 I162F46-T205 HydrophobicContact CB-CG2 4.22Å; F46-T205 CarbonylContact O-C 3.58Å; F46-T205 WeakPolarHBondContact O-CA 3.43Å; M58-T205 HydrophobicContact CE-CG2 3.56Å; I159-T205 PolarHBondContact O-N 2.92Å; D160-T205 WeakPolarHBondContact CA-OG1 3.44Å; D160-T205 HydrophobicContact CB-CG2 4.3Å; D160-T205 WeakPolarHBondContact OD1-CB 3.36Å; D160-T205 WeakPolarHBondContact OD1-CG2 3.45Å; D160-T205 PolarHBondContact OD1-OG1 3.11Å; S161-T205 WeakPolarHBondContact CA-O 3.34Å; S161-T205 VanDerWaalsContact CA-OG1 3.22Å; S161-T205 WeakPolarHBondContact CA-OG1 3.18Å; S161-T205 VanDerWaalsContact CB-O 3.3Å; S161-T205 WeakPolarHBondContact CB-O 3.25Å; S161-T205 WeakPolarHBondContact CB-OG1 3.41Å; I162-T205 WeakPolarHBondContact CG2-O 3.28Å; I162-T205 PolarHBondContact N-O 2.82Å
206T94.2Very high77.8Confident1 Ų160.5 Ų60.51%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-134141.4172.556.10000110.8E45 F46 H47 I162 S163 L254E45-T206 HydrophobicContact CG-CG2 3.9Å; E45-T206 WeakPolarHBondContact OE1-CG2 3.34Å; F46-T206 PolarHBondContact O-N 3.27Å; F46-T206 PolarHBondContact O-OG1 3.34Å; H47-T206 PolarHBondContact ND1-OG1 3.35Å; I162-T206 HydrophobicContact CG2-CG2 3.59Å; S163-T206 WeakPolarHBondContact OG-CA 3.46Å; T206-L254 HydrophobicContact CG2-CD1 3.52Å
207H89.4Confident75.2Confident67 Ų6758.1 Ų58.131%0.3130%0.296SS..EExtended strand (participates in β ladder)trans-73.2134.5175.6-64.3107.4000111D84 S161 S163 I209 Y253D84-H207 IonicContact OD1-CE1 3.93Å; D84-H207 IonicContact OD2-CE1 3.19Å; D84-H207 PolarHBondContact OD2-CE1 2.95Å; D84-H207 IonicContact OD2-NE2 3.69Å; S161-H207 PolarHBondContact OG-CE1 2.85Å; S161-H207 PolarHBondContact OG-ND1 2.9Å; S163-H207 PolarHBondContact OG-N 3.16Å; S163-H207 PolarHBondContact OG-ND1 3.35Å; H207-I209 HydrophobicContact CB-CD1 3.72Å; H207-I209 HydrophobicContact CB-CG1 3.76Å; H207-I209 PolarHBondContact O-N 3.43Å; H207-Y253 WeakPolarHBondContact O-CE1 3.47Å; H207-Y253 PolarHBondContact O-OH 3.12Å
208A85.6Confident72.6Confident16 Ų1662 Ų6213%0.13231%0.312CS..  trans-9080.3171.900000110.5G48 T49 F249G48-A208 VanDerWaalsContact O-CB 3.31Å; G48-A208 WeakPolarHBondContact O-CB 3.44Å; T49-A208 HydrophobicContact CG2-CB 4.21Å; A208-F249 HydrophobicContact CB-CB 3.76Å; A208-F249 HydrophobicContact CB-CD1 4.2Å; A208-F249 HydrophobicContact CB-CG 4.09Å; A208-F249 VanDerWaalsContact O-CD1 3.27Å; A208-F249 WeakPolarHBondContact O-CD1 3.35Å; A208-F249 WeakPolarHBondContact O-CE1 3.44Å
209I74.7Confident70.2Confident90 Ų9063.6 Ų63.646%0.46233%0.331SS..  trans-95.1-40.1-175.6-61.7166.4000111.4W167 H207 R211W167-I209 VanDerWaalsContact NE1-CD1 3.31Å; H207-I209 HydrophobicContact CB-CD1 3.72Å; H207-I209 HydrophobicContact CB-CG1 3.76Å; H207-I209 PolarHBondContact O-N 3.43Å; I209-R211 PolarHBondContact O-N 2.84Å
210M63.7Low67.6Low66 Ų6663 Ų6333%0.32534%0.339SS..  trans-86.4115.2-173.5-73.2-161.56900111.9W167 F249 Y253W167-M210 HydrophobicContact CH2-CG 4.45Å; W167-M210 HydrophobicContact CH2-SD 4.1Å; W167-M210 HydrophobicContact CZ2-CG 4.14Å; W167-M210 HydrophobicContact CZ2-SD 4.28Å; M210-F249 WeakPolarHBondContact O-CA 3.3Å; M210-F249 WeakPolarHBondContact O-CD1 3.46Å; M210-Y253 HydrophobicContact SD-CG 4.46Å
211R57.5Low65Low143 Ų14369.7 Ų69.754%0.5437%0.374SS..  trans-75.1130.6169.1-71.7-178.9-177.7167.41.9111.6I209 Y213 N248 F249I209-R211 PolarHBondContact O-N 2.84Å; R211-Y213 HydrophobicContact CB-CD2 3.97Å; R211-Y213 HydrophobicContact CB-CE2 3.63Å; R211-Y213 WeakPolarHBondContact O-CD2 3.38Å; R211-Y213 PolarHBondContact O-N 2.84Å; R211-N248 CarbonylContact C-O 3.59Å; R211-N248 VanDerWaalsContact C-O 3.3Å; R211-N248 WeakPolarHBondContact CA-O 3.25Å; R211-F249 HydrophobicContact CB-CE1 4.35Å; R211-F249 HydrophobicContact CG-CD1 3.79Å; R211-F249 HydrophobicContact CG-CE1 3.21Å; R211-F249 HydrophobicContact CG-CE2 4.01Å; R211-F249 HydrophobicContact CG-CG 4.44Å; R211-F249 HydrophobicContact CG-CZ 3.36Å
212N52.8Low62.1Low66 Ų6672.8 Ų72.835%0.35340%0.4SS..  trans-61.594.4156.1-89.3-18.3000108.6G214 N248N212-G214 PolarHBondContact O-N 3.26Å; N212-N248 PolarHBondContact N-O 3.12Å
213Y46Very low59.4Low191 Ų19176.9 Ų76.975%0.74943%0.433SS*.  trans-80.331.9162.7-71.2-83.4000111.6R211 H215R211-Y213 HydrophobicContact CB-CD2 3.97Å; R211-Y213 HydrophobicContact CB-CE2 3.63Å; R211-Y213 WeakPolarHBondContact O-CD2 3.38Å; R211-Y213 PolarHBondContact O-N 2.84Å; Y213-H215 PolarHBondContact O-N 3.02Å
214G39.7Very low56.3Low54 Ų5485 Ų8556%0.55747%0.473SS*.SBendtrans-82.2109.1-178.400000111.8N212 S216N212-G214 PolarHBondContact O-N 3.26Å; G214-S216 VanDerWaalsContact C-N 3.29Å; G214-S216 PolarHBondContact O-N 3.36Å
215H38.8Very low53.1Low154 Ų15490.6 Ų90.671%0.71351%0.508SS*.SBendtrans53.311.1164.1-68.1-74.3000120.4Y213 A217 Q218Y213-H215 PolarHBondContact O-N 3.02Å; H215-A217 VanDerWaalsContact C-N 3.28Å; H215-A217 PolarHBondContact O-N 3.34Å; H215-Q218 PolarHBondContact O-N 2.93Å
216S39.4Very low50.1Low66 Ų6697 Ų9746%0.46255%0.549SS..Hα-helixtrans-69.3-26.4168.656.20000113G214 Q218 A219 D220G214-S216 VanDerWaalsContact C-N 3.29Å; G214-S216 PolarHBondContact O-N 3.36Å; S216-Q218 PolarHBondContact O-N 3.11Å; S216-Q218 VanDerWaalsContact O-N 3.17Å; S216-A219 PolarHBondContact O-N 3.34Å; S216-D220 PolarHBondContact O-N 3.13Å
217A38Very low47.1Very low78 Ų78100.1 Ų100.165%0.64558%0.582SS**Hα-helixtrans-67.1-15177.800000114.4H215H215-A217 VanDerWaalsContact C-N 3.28Å; H215-A217 PolarHBondContact O-N 3.34Å
218Q35.9Very low44.4Very low135 Ų135103.4 Ų103.463%0.63161%0.609SS**Hα-helixtrans-101.6-21178.9-154.4160.621.600112.7H215 S216 A222H215-Q218 PolarHBondContact O-N 2.93Å; S216-Q218 PolarHBondContact O-N 3.11Å; S216-Q218 VanDerWaalsContact O-N 3.17Å; Q218-A222 PolarHBondContact O-N 3.13Å
219A40.6Very low42.2Very low61 Ų61107.9 Ų107.950%0.50464%0.64SS.*Hα-helixtrans-72.7-35.5173.700000111.9S216 L221 A222 A223S216-A219 PolarHBondContact O-N 3.34Å; A219-L221 VanDerWaalsContact C-N 3.28Å; A219-L221 PolarHBondContact O-N 2.95Å; A219-A222 PolarHBondContact O-N 2.9Å; A219-A223 PolarHBondContact O-N 2.96Å
220D38.8Very low40Very low129 Ų129112.8 Ų112.869%0.6966%0.661SS**Hα-helixtrans-70.6-22.2178.2-70.1-21.5000113.2S216S216-D220 PolarHBondContact O-N 3.13Å
221L38.9Very low39Very low141 Ų141115.1 Ų115.174%0.73868%0.681SS**Hα-helixtrans-86.7-26.3175.5-74.4164.3000113.1A219A219-L221 VanDerWaalsContact C-N 3.28Å; A219-L221 PolarHBondContact O-N 2.95Å
222A37Very low37.7Very low67 Ų67113.9 Ų113.955%0.55469%0.694SS**Hα-helixtrans-83.5-16.8179.200000113.3Q218 A219 M224Q218-A222 PolarHBondContact O-N 3.13Å; A219-A222 PolarHBondContact O-N 2.9Å; A222-M224 PolarHBondContact O-N 3.2Å
223A41.8Very low36.6Very low86 Ų86115.6 Ų115.671%0.71171%0.711SS**THydrogen-bonded Turntrans-74.42.617800000114.6A219A219-A223 PolarHBondContact O-N 2.96Å
224M33.6Very low35.8Very low171 Ų171111.9 Ų111.984%0.84271%0.713SS**THydrogen-bonded Turntrans-99.65.5179.5-81.1-147145.500115.7A222A222-M224 PolarHBondContact O-N 3.2Å
225T32.3Very low35.3Very low118 Ų118115 Ų11572%0.72473%0.726SS**  trans-115.6115.4175.446.30000112G227T225-G227 PolarHBondContact O-N 3.26Å
226P33.4Very low34.8Very low136 Ų136111.9 Ų111.988%0.88372%0.721SS**  trans-81.2118.4174.830.3-28.1000110.1
227G30.9Very low34.6Very low67 Ų67114 Ų11469%0.69174%0.737SS**  trans-109.8145.2169.500000111.1T225T225-G227 PolarHBondContact O-N 3.26Å
228P33.2Very low34.2Very low136 Ų136120.4 Ų120.488%0.88374%0.744SS**  trans-80.2152.6-166.232.3-33.7000113.8
229S39.1Very low33.9Very low111 Ų111125.6 Ų125.678%0.77676%0.758SS**  trans-72.9143.5-177.949.60000115
230E28.8Very low33.3Very low193 Ų193131.4 Ų131.490%0.90278%0.775SS**  trans-144155147.8-80.6-156.8156.800112.4
231P42.5Very low33.2Very low115 Ų115135.4 Ų135.475%0.74778%0.78SS**  trans-114.4178.8-16440.2-26.8000115.2
232S31.3Very low32.8Very low117 Ų117132.6 Ų132.682%0.81877%0.77SS**  trans93.3145170.579.80000116.3
233S28.3Very low32.8Very low101 Ų101134.6 Ų134.671%0.70678%0.78SS**  cis-168.9150.9-12.843.40000109.5
234S29.1Very low32.5Very low113 Ų113134.5 Ų134.579%0.7977%0.774SS**  trans65.2113.4154.362.50000122.6
235S30Very low32.7Very low120 Ų120133.4 Ų133.484%0.83977%0.767SS**  trans72.598.9130.6-156.50000120.3
236S28.2Very low33.1Very low88 Ų88130.5 Ų130.562%0.61576%0.755SS**  -165.9131.3102.743.50000109.3W238S236-W238 PolarHBondContact O-N 3.4Å
237S36Very low34Very low112 Ų112125.3 Ų125.378%0.78372%0.722SS**  trans-71.888.9-174.1170.80000111.3
238W27.8Very low35Very low212 Ų212126.9 Ų126.980%0.80372%0.715SS**  trans-106.9114.5154.4-54.5100.7000106.2S236 Q240S236-W238 PolarHBondContact O-N 3.4Å; W238-Q240 PolarHBondContact O-N 3.2Å
239R30.1Very low36Very low243 Ų243121.9 Ų121.992%0.91768%0.679SS**  trans-69.583.2166.8-72.8-171.5-165.5-113.13.9107.2W241R239-W241 VanDerWaalsContact C-N 3.34Å; R239-W241 PolarHBondContact O-N 2.75Å
240Q29.1Very low37.1Very low184 Ų184118.6 Ų118.686%0.8665%0.653SS**  trans-65.798.8167.4-153.9168.334.800105.6W238W238-Q240 PolarHBondContact O-N 3.2Å
241W35Very low38.9Very low213 Ų213114.8 Ų114.881%0.80763%0.633SS**  trans-60134176.8-167.6-89.9000108.1R239 S243R239-W241 VanDerWaalsContact C-N 3.34Å; R239-W241 PolarHBondContact O-N 2.75Å; W241-S243 PolarHBondContact O-N 3.19Å; W241-S243 VanDerWaalsContact O-N 3.08Å
242P31.1Very low40.4Very low81 Ų81111.3 Ų111.353%0.52661%0.614SS.*  trans-57.8121.2177.5-19.831000108.8S244P242-S244 WeakPolarHBondContact CB-OG 3.42Å; P242-S244 PolarHBondContact O-N 3.08Å
243S37.6Very low42.9Very low109 Ų109106.7 Ų106.776%0.76258%0.579SS**G310 helixtrans-60.611.5173.3178.20000113.5W241 H245W241-S243 PolarHBondContact O-N 3.19Å; W241-S243 VanDerWaalsContact O-N 3.08Å; S243-H245 PolarHBondContact O-N 2.8Å
244S34.8Very low45.8Very low84 Ų84102.2 Ų102.259%0.58755%0.547SS*.G310 helixtrans-82.8-6-17455.40000114.5P242P242-S244 WeakPolarHBondContact CB-OG 3.42Å; P242-S244 PolarHBondContact O-N 3.08Å
245H37.7Very low48.6Very low148 Ų14896.9 Ų96.969%0.68551%0.51SS*.G310 helixtrans-123.314.2174.8-65.1-57.3000114.2S243 S247S243-H245 PolarHBondContact O-N 2.8Å; H245-S247 PolarHBondContact O-N 2.98Å
246A42.1Very low51.5Low58 Ų58100.1 Ų100.148%0.47950%0.504SS..SBendtrans-56.4111.9156.400000105.4N248A246-N248 PolarHBondContact O-N 2.93Å
247S50.5Low54.7Low27 Ų2797.2 Ų97.219%0.18949%0.485CS..  trans-55141.4-162.180.80000107.9H245 F249 D250H245-S247 PolarHBondContact O-N 2.98Å; S247-F249 PolarHBondContact O-N 3.31Å; S247-F249 PolarHBondContact OG-N 2.81Å; S247-D250 PolarHBondContact O-N 2.91Å; S247-D250 PolarHBondContact OG-OD1 3.24Å
248N52.1Low57.5Low100 Ų10091.9 Ų91.954%0.53545%0.448SS..THydrogen-bonded Turntrans-57.711.8172.5-76.9-38.6000111.9R211 N212 A246R211-N248 CarbonylContact C-O 3.59Å; R211-N248 VanDerWaalsContact C-O 3.3Å; R211-N248 WeakPolarHBondContact CA-O 3.25Å; N212-N248 PolarHBondContact N-O 3.12Å; A246-N248 PolarHBondContact O-N 2.93Å
249F55.7Low60.6Low31 Ų3185.6 Ų85.614%0.13643%0.427CS..THydrogen-bonded Turntrans-126.37.8-176.9-62.9-92.9000114.6H47 T49 A208 M210 R211 S247 K251H47-F249 PolarHBondContact NE2-O 2.79Å; H47-F249 VanDerWaalsContact NE2-O 3.12Å; T49-F249 HydrophobicContact CG2-CD2 3.72Å; T49-F249 HydrophobicContact CG2-CE2 3.65Å; T49-F249 HydrophobicContact CG2-CG 4.3Å; T49-F249 HydrophobicContact CG2-CZ 4.14Å; A208-F249 HydrophobicContact CB-CB 3.76Å; A208-F249 HydrophobicContact CB-CD1 4.2Å; A208-F249 HydrophobicContact CB-CG 4.09Å; A208-F249 VanDerWaalsContact O-CD1 3.27Å; A208-F249 WeakPolarHBondContact O-CD1 3.35Å; A208-F249 WeakPolarHBondContact O-CE1 3.44Å; M210-F249 WeakPolarHBondContact O-CA 3.3Å; M210-F249 WeakPolarHBondContact O-CD1 3.46Å; R211-F249 HydrophobicContact CB-CE1 4.35Å; R211-F249 HydrophobicContact CG-CD1 3.79Å; R211-F249 HydrophobicContact CG-CE1 3.21Å; R211-F249 HydrophobicContact CG-CE2 4.01Å; R211-F249 HydrophobicContact CG-CG 4.44Å; R211-F249 HydrophobicContact CG-CZ 3.36Å; S247-F249 PolarHBondContact O-N 3.31Å; S247-F249 PolarHBondContact OG-N 2.81Å; F249-K251 PolarHBondContact O-N 2.9Å
250D60.4Low63.7Low42 Ų4283.6 Ų83.623%0.22542%0.419CS..  trans-683.3-174.7-77.1-3.8000115.7S247 A252S247-D250 PolarHBondContact O-N 2.91Å; S247-D250 PolarHBondContact OG-OD1 3.24Å; D250-A252 PolarHBondContact O-N 3.23Å
251K66.9Low66.9Low112 Ų11275.9 Ų75.949%0.48738%0.384SS..  trans-73.5113.7-178.9-167.8171.5-178.41760111.1F249 Y253F249-K251 PolarHBondContact O-N 2.9Å; K251-Y253 PolarHBondContact O-N 3.23Å; K251-Y253 VanDerWaalsContact O-N 3.12Å
252A73.7Confident69.8Low42 Ų4266.6 Ų66.635%0.34735%0.351SS..  trans-60.8114.7170.600000110.6D250 Q259D250-A252 PolarHBondContact O-N 3.23Å; A252-Q259 HydrophobicContact CB-CG 4.42Å
253Y84.3Confident73Confident21 Ų2163.9 Ų63.98%0.08233%0.333CS..  trans-112.4-19.1179.868.5-90.1000113.3S163 Y166 W167 H207 M210 K251S163-Y253 VanDerWaalsContact CB-OH 3.26Å; S163-Y253 WeakPolarHBondContact CB-OH 3.33Å; Y166-Y253 AromaticContact CD1-CD2 3.73Å; Y166-Y253 HydrophobicContact CD1-CD2 3.73Å; Y166-Y253 AromaticContact CD1-CE2 3.72Å; Y166-Y253 HydrophobicContact CD1-CE2 3.72Å; Y166-Y253 AromaticContact CE1-CD2 3.64Å; Y166-Y253 HydrophobicContact CE1-CD2 3.64Å; Y166-Y253 HydrophobicContact CE1-CE2 4.15Å; Y166-Y253 HydrophobicContact CG-CE2 4.27Å; Y166-Y253 PolarHBondContact OH-O 3.35Å; W167-Y253 HydrophobicContact CH2-CD2 4.43Å; W167-Y253 AromaticContact CZ2-CD2 3.68Å; W167-Y253 HydrophobicContact CZ2-CD2 3.68Å; W167-Y253 HydrophobicContact CZ2-CE2 4.1Å; W167-Y253 HydrophobicContact CZ2-CG 4.23Å; W167-Y253 AromaticContact NE1-CE2 3.91Å; H207-Y253 WeakPolarHBondContact O-CE1 3.47Å; H207-Y253 PolarHBondContact O-OH 3.12Å; M210-Y253 HydrophobicContact SD-CG 4.46Å; K251-Y253 PolarHBondContact O-N 3.23Å; K251-Y253 VanDerWaalsContact O-N 3.12Å
254L89.8Confident75.8Confident7 Ų758.9 Ų58.94%0.03730%0.297CS..SBendtrans-68.7162.1176.8-64.6-179.3000111.6I162 Y166 L184 T206 W258 Q259I162-L254 HydrophobicContact CG2-CD1 4.14Å; Y166-L254 HydrophobicContact CD1-CD2 4.32Å; Y166-L254 HydrophobicContact CD2-CD2 3.8Å; Y166-L254 HydrophobicContact CE2-CD2 4.35Å; Y166-L254 HydrophobicContact CG-CD2 3.77Å; L184-L254 HydrophobicContact CD2-CB 4.07Å; L184-L254 HydrophobicContact CD2-CD2 3.85Å; L184-L254 HydrophobicContact CD2-CG 4.46Å; T206-L254 HydrophobicContact CG2-CD1 3.52Å; L254-W258 HydrophobicContact CB-CB 4.48Å; L254-W258 HydrophobicContact CB-CG 4.39Å; L254-W258 HydrophobicContact CD1-CG 4.22Å; L254-Q259 PolarHBondContact O-NE2 3.28Å
255S87.8Confident78.6Confident1 Ų157.3 Ų57.31%0.00728%0.279CS..  trans-55.2152.2-175.1770000113.2E181 A257 W258 Q259E181-S255 WeakPolarHBondContact OE2-CB 3.37Å; S255-A257 PolarHBondContact O-N 2.65Å; S255-A257 VanDerWaalsContact O-N 3.16Å; S255-W258 PolarHBondContact O-N 3.35Å; S255-W258 VanDerWaalsContact O-N 3.16Å; S255-W258 PolarHBondContact OG-N 2.87Å; S255-Q259 PolarHBondContact O-N 3.3Å; S255-Q259 VanDerWaalsContact O-N 3.16Å
256R91.6Very high81.4Confident188 Ų18850.3 Ų50.371%0.70925%0.246SC*.Hα-helixtrans-59.5-25.8175.2-72.3-172.5179.4179.4-0113.5R260R256-R260 VanDerWaalsContact O-CG 3.29Å; R256-R260 WeakPolarHBondContact O-CG 3.33Å; R256-R260 PolarHBondContact O-N 2.75Å
257A93.9Very high83.9Confident26 Ų2649.3 Ų49.322%0.21523%0.232CC..Hα-helixtrans-64.4-49176.700000110.4R185 S255 R260R185-A257 HydrophobicContact CG-CB 4.17Å; S255-A257 PolarHBondContact O-N 2.65Å; S255-A257 VanDerWaalsContact O-N 3.16Å; A257-R260 PolarHBondContact O-N 3.36Å
258W95.8Very high86Confident1 Ų148.2 Ų48.20%0.00422%0.224CC..Hα-helixtrans-59.6-49.7174.7175.3-105.8000112.1V43 E45 I162 S188 L191 A204 L254 S255 R260 L261 V262V43-W258 HydrophobicContact CG1-CH2 3.58Å; V43-W258 HydrophobicContact CG1-CZ2 4.14Å; V43-W258 HydrophobicContact CG1-CZ3 4.14Å; E45-W258 HydrophobicContact CB-CZ2 4.44Å; E45-W258 HydrophobicContact CG-CZ2 4.38Å; E45-W258 PolarHBondContact OE1-NE1 2.82Å; I162-W258 HydrophobicContact CB-CH2 4.33Å; I162-W258 HydrophobicContact CB-CZ2 4.47Å; I162-W258 HydrophobicContact CD1-CZ3 4.44Å; I162-W258 HydrophobicContact CG1-CD2 4.31Å; I162-W258 HydrophobicContact CG1-CE3 3.93Å; I162-W258 HydrophobicContact CG1-CH2 4.13Å; I162-W258 HydrophobicContact CG1-CZ2 4.48Å; I162-W258 HydrophobicContact CG1-CZ3 3.83Å; I162-W258 HydrophobicContact CG2-CD2 4.38Å; I162-W258 HydrophobicContact CG2-CH2 4.03Å; I162-W258 HydrophobicContact CG2-CZ2 3.69Å; I162-W258 HydrophobicContact CG2-CZ3 4.5Å; S188-W258 PolarHBondContact OG-N 2.78Å; L191-W258 HydrophobicContact CD1-CZ3 3.92Å; A204-W258 HydrophobicContact CB-CH2 3.46Å; A204-W258 VanDerWaalsContact CB-CH2 3.46Å; A204-W258 HydrophobicContact CB-CZ2 3.76Å; L254-W258 HydrophobicContact CB-CB 4.48Å; L254-W258 HydrophobicContact CB-CG 4.39Å; L254-W258 HydrophobicContact CD1-CG 4.22Å; S255-W258 PolarHBondContact O-N 3.35Å; S255-W258 VanDerWaalsContact O-N 3.16Å; S255-W258 PolarHBondContact OG-N 2.87Å; W258-R260 PolarHBondContact O-N 3.28Å; W258-R260 VanDerWaalsContact O-N 3.08Å; W258-L261 WeakPolarHBondContact O-CB 3.48Å; W258-L261 PolarHBondContact O-N 3.07Å; W258-V262 HydrophobicContact CD2-CG2 4.28Å; W258-V262 HydrophobicContact CZ2-CG2 3.87Å; W258-V262 PolarHBondContact O-N 3.08Å
259Q93.3Very high87.9Confident79 Ų7945.2 Ų45.237%0.36921%0.211SC..Hα-helixtrans-57.2-30.3-177.5-65.9179.130.200113.5A252 L254 S255A252-Q259 HydrophobicContact CB-CG 4.42Å; L254-Q259 PolarHBondContact O-NE2 3.28Å; S255-Q259 PolarHBondContact O-N 3.3Å; S255-Q259 VanDerWaalsContact O-N 3.16Å
260R94.6Very high89.5Confident201 Ų20149.7 Ų49.776%0.75823%0.231SC*.Hα-helixtrans-76.6-22.8177.8-73.9170.8179.4169.3-2.5113.6R256 A257 W258R256-R260 VanDerWaalsContact O-CG 3.29Å; R256-R260 WeakPolarHBondContact O-CG 3.33Å; R256-R260 PolarHBondContact O-N 2.75Å; A257-R260 PolarHBondContact O-N 3.36Å; W258-R260 PolarHBondContact O-N 3.28Å; W258-R260 VanDerWaalsContact O-N 3.08Å
261L96.3Very high90.7Very high23 Ų2349.3 Ų49.312%0.1224%0.237CC..Hα-helixtrans-82.5-31.5178.1-62174.5000111.9V43 S188 D192 W258 T263V43-L261 WeakPolarHBondContact CB-O 3.12Å; V43-L261 HydrophobicContact CG2-CB 4.11Å; V43-L261 WeakPolarHBondContact CG2-O 3.5Å; S188-L261 WeakPolarHBondContact O-CD1 3.5Å; D192-L261 HydrophobicContact CB-CD1 4.18Å; D192-L261 HydrophobicContact CB-CD2 3.52Å; D192-L261 HydrophobicContact CB-CG 4.5Å; D192-L261 VanDerWaalsContact OD1-CD2 3.31Å; D192-L261 WeakPolarHBondContact OD1-CD2 3.26Å; W258-L261 WeakPolarHBondContact O-CB 3.48Å; W258-L261 PolarHBondContact O-N 3.07Å; L261-T263 PolarHBondContact O-N 2.68Å; L261-T263 VanDerWaalsContact O-N 3.13Å
262V96.9Very high91.3Very high17 Ų1752.2 Ų52.210%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-62.3115.6-179.5179.70000110.2E45 W258 H264 R265E45-V262 HydrophobicContact CB-CB 4.5Å; E45-V262 HydrophobicContact CB-CG1 3.66Å; E45-V262 HydrophobicContact CB-CG2 3.94Å; E45-V262 HydrophobicContact CG-CG2 4.49Å; W258-V262 HydrophobicContact CD2-CG2 4.28Å; W258-V262 HydrophobicContact CZ2-CG2 3.87Å; W258-V262 PolarHBondContact O-N 3.08Å; V262-H264 VanDerWaalsContact CG1-O 3.27Å; V262-H264 WeakPolarHBondContact CG1-O 3.1Å; V262-R265 HydrophobicContact CG1-CB 4.34Å
263T96.9Very high91.7Very high25 Ų2554.2 Ų54.215%0.15326%0.26CS..EExtended strand (participates in β ladder)trans-99-30.5178.357.80000112.1D42 V43 L261 T287 T288D42-T263 HydrophobicContact CB-CG2 4.39Å; D42-T263 VanDerWaalsContact CB-OG1 3.27Å; D42-T263 WeakPolarHBondContact CB-OG1 3.32Å; V43-T263 PolarHBondContact N-OG1 2.76Å; V43-T263 PolarHBondContact O-N 3.19Å; V43-T263 PolarHBondContact O-OG1 2.9Å; L261-T263 PolarHBondContact O-N 2.68Å; L261-T263 VanDerWaalsContact O-N 3.13Å; T263-T287 WeakPolarHBondContact O-CA 3.4Å; T263-T288 PolarHBondContact O-N 3.28Å; T263-T288 PolarHBondContact O-OG1 3.35Å
264H96.2Very high91.5Very high3 Ų355.6 Ų55.61%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-130.3131.4179.2-60.871.4000108.4A36 D42 V43 V44 E45 V262 T286 T287A36-H264 PolarHBondContact O-NE2 3.39Å; A36-H264 VanDerWaalsContact O-NE2 3.15Å; D42-H264 IonicContact OD2-CE1 2.96Å; D42-H264 PolarHBondContact OD2-CE1 3.25Å; D42-H264 VanDerWaalsContact OD2-CE1 3.24Å; D42-H264 IonicContact OD2-ND1 3.27Å; V43-H264 PolarHBondContact O-N 3.2Å; V43-H264 VanDerWaalsContact O-N 3.07Å; V44-H264 CarbonylContact C-O 3.56Å; V44-H264 WeakPolarHBondContact CA-O 3.4Å; V44-H264 HydrophobicContact CB-CB 4.27Å; V44-H264 HydrophobicContact CG1-CB 4.02Å; V44-H264 HydrophobicContact CG2-CB 4Å; E45-H264 PolarHBondContact N-O 3.5Å; V262-H264 VanDerWaalsContact CG1-O 3.27Å; V262-H264 WeakPolarHBondContact CG1-O 3.1Å; H264-T286 CarbonylContact C-O 3.53Å; H264-T286 WeakPolarHBondContact CA-O 3.21Å; H264-T287 WeakPolarHBondContact CD2-CG2 3Å
265R95.1Very high90.9Very high52 Ų5265.3 Ų65.320%0.19631%0.313CS..EExtended strand (participates in β ladder)trans-121.5121.3172.6179.1176.3-76.8-148-3.6109.1E45 V262 L267 C285 T286E45-R265 WeakPolarHBondContact O-CA 3.3Å; E45-R265 IonicContact OE1-NH2 3.59Å; E45-R265 IonicContact OE2-CZ 2.8Å; E45-R265 IonicContact OE2-NE 2.8Å; E45-R265 PolarHBondContact OE2-NE 2.92Å; E45-R265 IonicContact OE2-NH2 3.95Å; E45-R265 PolarHBondContact OE2-NH2 3.38Å; V262-R265 HydrophobicContact CG1-CB 4.34Å; R265-L267 HydrophobicContact CG-CD2 4.02Å; R265-L267 HydrophobicContact CG-CG 4.44Å; R265-C285 WeakPolarHBondContact O-CA 3.46Å; R265-T286 PolarHBondContact N-O 3.25Å; R265-T286 PolarHBondContact O-N 3.46Å; R265-T286 PolarHBondContact O-OG1 3.37Å
266V95.6Very high90.5Very high0 Ų071.5 Ų71.50%035%0.346CS..EExtended strand (participates in β ladder)trans-108.4112.6176.9-170.90000108.6I31 F32 V44 E45 F46 H47 F268 A283 A284 C285I31-V266 HydrophobicContact CG2-CG1 3.99Å; I31-V266 HydrophobicContact CG2-CG2 3.96Å; F32-V266 HydrophobicContact CE1-CG2 4.12Å; V44-V266 HydrophobicContact CG1-CG2 4.09Å; E45-V266 PolarHBondContact O-N 3.09Å; F46-V266 HydrophobicContact CD1-CB 3.78Å; F46-V266 HydrophobicContact CD1-CG2 3.95Å; F46-V266 HydrophobicContact CE1-CB 3.9Å; F46-V266 HydrophobicContact CE1-CG1 4.49Å; F46-V266 HydrophobicContact CE1-CG2 3.68Å; H47-V266 PolarHBondContact N-O 3.02Å; V266-F268 HydrophobicContact CB-CD2 4.47Å; V266-F268 HydrophobicContact CB-CE2 3.8Å; V266-F268 HydrophobicContact CB-CZ 4.43Å; V266-F268 HydrophobicContact CG1-CD2 4.05Å; V266-F268 HydrophobicContact CG1-CE2 3.42Å; V266-F268 VanDerWaalsContact CG1-CE2 3.42Å; V266-F268 HydrophobicContact CG1-CZ 3.69Å; V266-F268 WeakPolarHBondContact O-CD2 3.46Å; V266-A283 HydrophobicContact CG1-CB 3.82Å; V266-A284 WeakPolarHBondContact CA-O 3.22Å; V266-C285 HydrophobicContact CG2-CB 4.08Å
267L94.4Very high90Very high37 Ų3773.3 Ų73.319%0.19435%0.353CS..EExtended strand (participates in β ladder)trans-90.8119.6177.4-60.3178.6000109.5H47 R265 A283 A284H47-L267 HydrophobicContact CB-CD2 3.99Å; H47-L267 CarbonylContact O-C 3.45Å; H47-L267 WeakPolarHBondContact O-CA 3.39Å; R265-L267 HydrophobicContact CG-CD2 4.02Å; R265-L267 HydrophobicContact CG-CG 4.44Å; L267-A283 CarbonylContact O-C 3.57Å; L267-A283 WeakPolarHBondContact O-CA 3.35Å; L267-A284 HydrophobicContact CB-CB 4.44Å; L267-A284 PolarHBondContact N-O 3.45Å; L267-A284 PolarHBondContact O-N 3.17Å
268F94.5Very high89.6Confident4 Ų476.7 Ų76.72%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-100.7133.2178.6-70.6-95.7000110.6F46 H47 G48 S52 K54 T57 V266 S282 A283 F298F46-F268 HydrophobicContact CB-CD2 4.33Å; F46-F268 HydrophobicContact CB-CE2 3.79Å; F46-F268 AromaticContact CD1-CE2 3.84Å; F46-F268 HydrophobicContact CD1-CE2 3.84Å; F46-F268 HydrophobicContact CD1-CZ 4.38Å; F46-F268 AromaticContact CD2-CE2 3.66Å; F46-F268 HydrophobicContact CD2-CE2 3.66Å; F46-F268 AromaticContact CD2-CZ 3.8Å; F46-F268 HydrophobicContact CD2-CZ 3.8Å; F46-F268 HydrophobicContact CE1-CE2 4.28Å; F46-F268 HydrophobicContact CE1-CZ 4.4Å; F46-F268 HydrophobicContact CE2-CE2 4.13Å; F46-F268 AromaticContact CE2-CZ 3.84Å; F46-F268 HydrophobicContact CE2-CZ 3.84Å; F46-F268 HydrophobicContact CG-CD2 4.48Å; F46-F268 AromaticContact CG-CE2 3.49Å; F46-F268 HydrophobicContact CG-CE2 3.49Å; F46-F268 VanDerWaalsContact CG-CE2 3.49Å; F46-F268 HydrophobicContact CG-CZ 4.08Å; F46-F268 HydrophobicContact CZ-CE2 4.4Å; F46-F268 HydrophobicContact CZ-CZ 4.13Å; H47-F268 PolarHBondContact O-N 3.17Å; G48-F268 WeakPolarHBondContact CA-O 3.4Å; S52-F268 VanDerWaalsContact OG-CB 3.28Å; S52-F268 WeakPolarHBondContact OG-CB 3.41Å; K54-F268 HydrophobicContact CG-CB 4.02Å; K54-F268 HydrophobicContact CG-CD2 3.74Å; K54-F268 HydrophobicContact CG-CE2 4.33Å; K54-F268 HydrophobicContact CG-CG 3.84Å; T57-F268 HydrophobicContact CG2-CE1 4.05Å; T57-F268 HydrophobicContact CG2-CZ 3.92Å; T57-F268 WeakPolarHBondContact OG1-CE1 3.26Å; V266-F268 HydrophobicContact CB-CD2 4.47Å; V266-F268 HydrophobicContact CB-CE2 3.8Å; V266-F268 HydrophobicContact CB-CZ 4.43Å; V266-F268 HydrophobicContact CG1-CD2 4.05Å; V266-F268 HydrophobicContact CG1-CE2 3.42Å; V266-F268 VanDerWaalsContact CG1-CE2 3.42Å; V266-F268 HydrophobicContact CG1-CZ 3.69Å; V266-F268 WeakPolarHBondContact O-CD2 3.46Å; F268-S282 WeakPolarHBondContact CA-O 3.31Å; F268-A283 HydrophobicContact CD1-CB 4.15Å; F268-A283 HydrophobicContact CE1-CB 3.9Å; F268-A283 HydrophobicContact CZ-CB 4.33Å; F268-F298 HydrophobicContact CD1-CE1 4.09Å; F268-F298 AromaticContact CD1-CZ 3.9Å; F268-F298 HydrophobicContact CD1-CZ 3.9Å; F268-F298 HydrophobicContact CE1-CE1 4.07Å; F268-F298 AromaticContact CE1-CZ 3.93Å; F268-F298 HydrophobicContact CE1-CZ 3.93Å
269S92Very high89.4Confident38 Ų3878.9 Ų78.927%0.26637%0.373SS..EExtended strand (participates in β ladder)trans-135.1149.8172.678.30000111.8F281 S282S269-F281 WeakPolarHBondContact O-CA 3.49Å; S269-S282 PolarHBondContact N-O 3.04Å; S269-S282 PolarHBondContact O-N 2.64Å; S269-S282 PolarHBondContact OG-OG 3.18Å
270K90.8Very high89.4Confident124 Ų12476.2 Ų76.254%0.53936%0.362SS..EExtended strand (participates in β ladder)trans-90.9115175.7-173.8175179.6177.30108.1Q279 F281K270-Q279 HydrophobicContact CG-CG 4.3Å; K270-F281 HydrophobicContact CB-CD1 4.41Å; K270-F281 HydrophobicContact CG-CD1 4.35Å; K270-F281 HydrophobicContact CG-CE1 4.08Å
271G84.7Confident89.5Confident35 Ų3567.6 Ų67.636%0.36133%0.33SS..EExtended strand (participates in β ladder)trans-86.1-162.9-178.900000113Q279 V280G271-Q279 PolarHBondContact O-NE2 3.46Å; G271-V280 WeakPolarHBondContact CA-O 3.31Å; G271-V280 PolarHBondContact N-O 3.47Å
272E78.6Confident89.4Confident172 Ų17268.1 Ų68.180%0.80434%0.336SS*.EExtended strand (participates in β ladder)trans-74.5157.4175.9-65-175.7172.800111.9V280E272-V280 PolarHBondContact O-N 2.76Å
273V82.9Confident89.4Confident84 Ų8467.4 Ų67.451%0.50933%0.331SS..EExtended strand (participates in β ladder)trans-82.8126.8171.2179.50000107.9K278V273-K278 CarbonylContact C-O 3.56Å; V273-K278 WeakPolarHBondContact CA-O 3.19Å
274T80.6Confident89.3Confident50 Ų5067.3 Ų67.331%0.30733%0.333SS..PPolyproline II helixtrans-64.6166.1178.368.50000111.6D276 R277 K278 V280T274-D276 PolarHBondContact O-N 2.94Å; T274-D276 VanDerWaalsContact O-N 3.11Å; T274-D276 PolarHBondContact OG1-N 3.42Å; T274-R277 WeakPolarHBondContact O-CA 3.44Å; T274-R277 PolarHBondContact O-N 3.44Å; T274-K278 PolarHBondContact N-O 3.29Å; T274-K278 PolarHBondContact OG1-N 3.03Å; T274-K278 PolarHBondContact OG1-O 3.16Å; T274-V280 HydrophobicContact CG2-CG2 3.36Å
275K76.4Confident89.2Confident212 Ų21267.1 Ų67.192%0.92233%0.332SS*.THydrogen-bonded Turntrans-54.6-29.5173.3-66.9-176.8179178.80112.7R277K275-R277 PolarHBondContact O-N 2.93Å
276D80.4Confident89.1Confident131 Ų13167 Ų6770%0.70134%0.337SS*.THydrogen-bonded Turntrans-84.315.7176.9-54.9-34.7000113.3T274 K278T274-D276 PolarHBondContact O-N 2.94Å; T274-D276 VanDerWaalsContact O-N 3.11Å; T274-D276 PolarHBondContact OG1-N 3.42Å; D276-K278 PolarHBondContact O-N 3.25Å
277R80.1Confident88.9Confident226 Ų22667.8 Ų67.885%0.85334%0.342SS*.SBendtrans6021.4-178.1-59.7-177.5173.5-177-1.9114.8T274 K275T274-R277 WeakPolarHBondContact O-CA 3.44Å; T274-R277 PolarHBondContact O-N 3.44Å; K275-R277 PolarHBondContact O-N 2.93Å
278K85.1Confident88.6Confident97 Ų9771.4 Ų71.442%0.42237%0.366SS..PPolyproline II helixtrans-89129.7174.5-65.2-174.8177.6-178.70110.3V273 T274 D276 V280V273-K278 CarbonylContact C-O 3.56Å; V273-K278 WeakPolarHBondContact CA-O 3.19Å; T274-K278 PolarHBondContact N-O 3.29Å; T274-K278 PolarHBondContact OG1-N 3.03Å; T274-K278 PolarHBondContact OG1-O 3.16Å; D276-K278 PolarHBondContact O-N 3.25Å; K278-V280 PolarHBondContact O-N 3Å
279Q92.6Very high88Confident46 Ų4675.1 Ų75.122%0.21539%0.392CS..EExtended strand (participates in β ladder)trans-74.8121.5174179.362.671.800109.7K270 G271 F281K270-Q279 HydrophobicContact CG-CG 4.3Å; G271-Q279 PolarHBondContact O-NE2 3.46Å; Q279-F281 HydrophobicContact CB-CE2 4.21Å; Q279-F281 HydrophobicContact CB-CZ 4.19Å; Q279-F281 HydrophobicContact CG-CD2 4.46Å; Q279-F281 HydrophobicContact CG-CE1 3.81Å; Q279-F281 HydrophobicContact CG-CE2 3.74Å; Q279-F281 HydrophobicContact CG-CZ 3.38Å
280V94.1Very high87.4Confident23 Ų2375.8 Ų75.814%0.13940%0.395CS..EExtended strand (participates in β ladder)trans-94.3139.5173.2-1750000109.6G271 E272 T274 K278 L308G271-V280 WeakPolarHBondContact CA-O 3.31Å; G271-V280 PolarHBondContact N-O 3.47Å; E272-V280 PolarHBondContact O-N 2.76Å; T274-V280 HydrophobicContact CG2-CG2 3.36Å; K278-V280 PolarHBondContact O-N 3Å; V280-L308 HydrophobicContact CG1-CD1 3.74Å; V280-L308 HydrophobicContact CG2-CD1 4.12Å
281F95.6Very high86.6Confident20 Ų2082.9 Ų82.99%0.08842%0.418CS..EExtended strand (participates in β ladder)trans-115.8158.2172.3-55.6-84.6000109G51 S52 S269 K270 Q279 S297 F298 V300G51-F281 VanDerWaalsContact O-CE1 3.31Å; G51-F281 WeakPolarHBondContact O-CE1 3.34Å; S52-F281 WeakPolarHBondContact O-CD1 3.39Å; S269-F281 WeakPolarHBondContact O-CA 3.49Å; K270-F281 HydrophobicContact CB-CD1 4.41Å; K270-F281 HydrophobicContact CG-CD1 4.35Å; K270-F281 HydrophobicContact CG-CE1 4.08Å; Q279-F281 HydrophobicContact CB-CE2 4.21Å; Q279-F281 HydrophobicContact CB-CZ 4.19Å; Q279-F281 HydrophobicContact CG-CD2 4.46Å; Q279-F281 HydrophobicContact CG-CE1 3.81Å; Q279-F281 HydrophobicContact CG-CE2 3.74Å; Q279-F281 HydrophobicContact CG-CZ 3.38Å; F281-S297 CarbonylContact O-C 3.52Å; F281-S297 VanDerWaalsContact O-CA 3.28Å; F281-S297 WeakPolarHBondContact O-CA 3.19Å; F281-F298 HydrophobicContact CB-CD1 4.07Å; F281-F298 HydrophobicContact CB-CD2 3.98Å; F281-F298 HydrophobicContact CB-CE1 3.66Å; F281-F298 HydrophobicContact CB-CE2 3.57Å; F281-F298 HydrophobicContact CB-CG 4.23Å; F281-F298 HydrophobicContact CB-CZ 3.4Å; F281-F298 HydrophobicContact CD2-CD2 4.21Å; F281-F298 AromaticContact CD2-CE2 3.97Å; F281-F298 HydrophobicContact CD2-CE2 3.97Å; F281-F298 HydrophobicContact CG-CD2 4.46Å; F281-F298 AromaticContact CG-CE2 3.95Å; F281-F298 HydrophobicContact CG-CE2 3.95Å; F281-F298 HydrophobicContact CG-CZ 4.13Å; F281-F298 PolarHBondContact N-O 3.29Å; F281-F298 PolarHBondContact O-N 3.5Å; F281-V300 HydrophobicContact CD2-CG2 3.92Å; F281-V300 HydrophobicContact CE2-CB 4.06Å; F281-V300 HydrophobicContact CE2-CG2 3.6Å; F281-V300 HydrophobicContact CZ-CG2 4.31Å
282S95Very high86.3Confident35 Ų3583 Ų8325%0.24542%0.42CS..EExtended strand (participates in β ladder)trans-128.9145.8169.962.30000110.8F268 S269 S296F268-S282 WeakPolarHBondContact CA-O 3.31Å; S269-S282 PolarHBondContact N-O 3.04Å; S269-S282 PolarHBondContact O-N 2.64Å; S269-S282 PolarHBondContact OG-OG 3.18Å; S282-S296 CarbonylContact C-O 3.59Å; S282-S296 VanDerWaalsContact CA-O 3.3Å; S282-S296 WeakPolarHBondContact CA-O 3.27Å
283A95.6Very high86.7Confident1 Ų178.8 Ų78.81%0.00841%0.406CS..EExtended strand (participates in β ladder)trans-122.3125.4171.800000108.4V266 L267 F268 C295 S296 F298V266-A283 HydrophobicContact CG1-CB 3.82Å; L267-A283 CarbonylContact O-C 3.57Å; L267-A283 WeakPolarHBondContact O-CA 3.35Å; F268-A283 HydrophobicContact CD1-CB 4.15Å; F268-A283 HydrophobicContact CE1-CB 3.9Å; F268-A283 HydrophobicContact CZ-CB 4.33Å; A283-C295 WeakPolarHBondContact O-CA 3.46Å; A283-S296 PolarHBondContact N-O 3.41Å; A283-S296 PolarHBondContact O-N 2.97Å; A283-F298 HydrophobicContact CB-CE1 4Å
284A94.7Very high87.2Confident23 Ų2377.1 Ų77.119%0.1939%0.392CS..EExtended strand (participates in β ladder)trans-115.7108.117600000109.3V266 L267 T293 K294V266-A284 WeakPolarHBondContact CA-O 3.22Å; L267-A284 HydrophobicContact CB-CB 4.44Å; L267-A284 PolarHBondContact N-O 3.45Å; L267-A284 PolarHBondContact O-N 3.17Å; A284-T293 HydrophobicContact CB-CG2 3.89Å; A284-K294 CarbonylContact C-O 3.56Å; A284-K294 WeakPolarHBondContact CA-O 3.33Å
285C94.9Very high87.8Confident0 Ų079.3 Ų79.30%041%0.408CS..EExtended strand (participates in β ladder)trans-92.2128.4179.3-175.10000110.9I31 R265 V266 T293 K294I31-C285 HydrophobicContact CG2-CB 4.43Å; I31-C285 WeakPolarHBondContact O-CB 2.97Å; R265-C285 WeakPolarHBondContact O-CA 3.46Å; V266-C285 HydrophobicContact CG2-CB 4.08Å; C285-T293 CarbonylContact O-C 3.54Å; C285-T293 VanDerWaalsContact O-CA 3.27Å; C285-T293 WeakPolarHBondContact O-CA 3.43Å; C285-T293 WeakPolarHBondContact O-CG2 3.47Å; C285-K294 PolarHBondContact N-O 3.32Å; C285-K294 PolarHBondContact O-N 3.47Å
286T93.3Very high88.7Confident50 Ų5069.9 Ų69.931%0.30737%0.369SS..EExtended strand (participates in β ladder)trans-116.6144.1167.353.20000108.9H264 R265 T293H264-T286 CarbonylContact C-O 3.53Å; H264-T286 WeakPolarHBondContact CA-O 3.21Å; R265-T286 PolarHBondContact N-O 3.25Å; R265-T286 PolarHBondContact O-N 3.46Å; R265-T286 PolarHBondContact O-OG1 3.37Å; T286-T293 HydrophobicContact CG2-CG2 3.97Å; T286-T293 WeakPolarHBondContact CG2-OG1 3.5Å
287T91.4Very high89.4Confident16 Ų1666.2 Ų66.210%0.09835%0.353CS..EExtended strand (participates in β ladder)trans-130.3152.8-176.771.50000109.9P33 T263 H264 S289 T290P33-T287 HydrophobicContact CG-CG2 3.89Å; T263-T287 WeakPolarHBondContact O-CA 3.4Å; H264-T287 WeakPolarHBondContact CD2-CG2 3Å; T287-S289 VanDerWaalsContact C-N 3.26Å; T287-S289 PolarHBondContact OG1-OG 3.33Å; T287-T290 VanDerWaalsContact O-O 3.08Å; T287-T290 PolarHBondContact OG1-N 3.4Å; T287-T290 VanDerWaalsContact OG1-N 3.14Å; T287-T290 PolarHBondContact OG1-OG1 3.22Å
288T88.3Confident90.1Very high113 Ų11355.5 Ų55.569%0.69331%0.313SS*.SBendtrans-73.8-20.4173.952.20000112.9T263T263-T288 PolarHBondContact O-N 3.28Å; T263-T288 PolarHBondContact O-OG1 3.35Å
289S80.6Confident90.7Very high81 Ų8151.2 Ų51.257%0.56630%0.295SS*.SBendtrans-85.2-26.7-176.857.40000113.7T287T287-S289 VanDerWaalsContact C-N 3.26Å; T287-S289 PolarHBondContact OG1-OG 3.33Å
290T80Confident90.8Very high53 Ų5351.2 Ų51.233%0.32530%0.298SS..SBendtrans-126.4144.8-177.267.20000112A36 T287 G292A36-T290 HydrophobicContact CB-CG2 3.61Å; T287-T290 VanDerWaalsContact O-O 3.08Å; T287-T290 PolarHBondContact OG1-N 3.4Å; T287-T290 VanDerWaalsContact OG1-N 3.14Å; T287-T290 PolarHBondContact OG1-OG1 3.22Å; T290-G292 PolarHBondContact O-N 3.5Å
291R72.9Confident90.8Very high272 Ų27253.3 Ų53.3100%1.02631%0.307SS*.SBendtrans-84.529.3-179.3-72.6-169.4177.2-168.20.5113.9
292G79.3Confident90.5Very high38 Ų3858.6 Ų58.639%0.39233%0.332SS..  trans-132162.9-175.200000113.2T290T290-G292 PolarHBondContact O-N 3.5Å
293T87.6Confident90.4Very high84 Ų8457.9 Ų57.952%0.51533%0.33SS..EExtended strand (participates in β ladder)trans-110.8125.4170.5-530000108.3A284 C285 T286A284-T293 HydrophobicContact CB-CG2 3.89Å; C285-T293 CarbonylContact O-C 3.54Å; C285-T293 VanDerWaalsContact O-CA 3.27Å; C285-T293 WeakPolarHBondContact O-CA 3.43Å; C285-T293 WeakPolarHBondContact O-CG2 3.47Å; T286-T293 HydrophobicContact CG2-CG2 3.97Å; T286-T293 WeakPolarHBondContact CG2-OG1 3.5Å
294K92.6Very high90.3Very high49 Ų4957.9 Ų57.921%0.21333%0.331CS..EExtended strand (participates in β ladder)trans-93.6126.2167.9-175.5159176.8177.70109P29 H30 F32 P33 D34 A284 C285P29-K294 WeakPolarHBondContact O-CE 3.38Å; P29-K294 PolarHBondContact O-NZ 3.32Å; H30-K294 WeakPolarHBondContact O-CE 3.28Å; F32-K294 VanDerWaalsContact O-CD 3.27Å; F32-K294 WeakPolarHBondContact O-CD 3.29Å; F32-K294 WeakPolarHBondContact O-CE 3.39Å; F32-K294 PolarHBondContact O-NZ 2.98Å; P33-K294 HydrophobicContact CB-CB 4.43Å; P33-K294 HydrophobicContact CB-CD 4.45Å; P33-K294 HydrophobicContact CG-CB 4Å; D34-K294 IonicContact OD1-NZ 3.42Å; D34-K294 PolarHBondContact OD1-NZ 3.21Å; A284-K294 CarbonylContact C-O 3.56Å; A284-K294 WeakPolarHBondContact CA-O 3.33Å; C285-K294 PolarHBondContact N-O 3.32Å; C285-K294 PolarHBondContact O-N 3.47Å
295C93.2Very high90.3Very high95 Ų9557 Ų5764%0.64232%0.322SS*.EExtended strand (participates in β ladder)trans-113.7133.1178.8-62.40000109.2A283A283-C295 WeakPolarHBondContact O-CA 3.46Å
296S94.9Very high90.3Very high15 Ų1562.1 Ų62.111%0.10535%0.347CS..EExtended strand (participates in β ladder)trans-130.3144.3173.759.30000109.7H30 S282 A283H30-S296 VanDerWaalsContact O-CB 3.31Å; H30-S296 WeakPolarHBondContact O-CB 3.23Å; S282-S296 CarbonylContact C-O 3.59Å; S282-S296 VanDerWaalsContact CA-O 3.3Å; S282-S296 WeakPolarHBondContact CA-O 3.27Å; A283-S296 PolarHBondContact N-O 3.41Å; A283-S296 PolarHBondContact O-N 2.97Å
297S95.3Very high90.4Very high54 Ų5461.4 Ų61.438%0.37834%0.339SS..EExtended strand (participates in β ladder)trans-106.1145.4170.1-62.30000109.3F281 F307 L308F281-S297 CarbonylContact O-C 3.52Å; F281-S297 VanDerWaalsContact O-CA 3.28Å; F281-S297 WeakPolarHBondContact O-CA 3.19Å; S297-F307 WeakPolarHBondContact O-CA 3.44Å; S297-L308 PolarHBondContact O-N 3.46Å
298F96.1Very high90.4Very high0 Ų068.1 Ų68.10%037%0.374CS..EExtended strand (participates in β ladder)trans-150.3160.9-179.366.4-87.1000112.2F268 F281 A283 V300 V305 Q306 F307F268-F298 HydrophobicContact CD1-CE1 4.09Å; F268-F298 AromaticContact CD1-CZ 3.9Å; F268-F298 HydrophobicContact CD1-CZ 3.9Å; F268-F298 HydrophobicContact CE1-CE1 4.07Å; F268-F298 AromaticContact CE1-CZ 3.93Å; F268-F298 HydrophobicContact CE1-CZ 3.93Å; F281-F298 HydrophobicContact CB-CD1 4.07Å; F281-F298 HydrophobicContact CB-CD2 3.98Å; F281-F298 HydrophobicContact CB-CE1 3.66Å; F281-F298 HydrophobicContact CB-CE2 3.57Å; F281-F298 HydrophobicContact CB-CG 4.23Å; F281-F298 HydrophobicContact CB-CZ 3.4Å; F281-F298 HydrophobicContact CD2-CD2 4.21Å; F281-F298 AromaticContact CD2-CE2 3.97Å; F281-F298 HydrophobicContact CD2-CE2 3.97Å; F281-F298 HydrophobicContact CG-CD2 4.46Å; F281-F298 AromaticContact CG-CE2 3.95Å; F281-F298 HydrophobicContact CG-CE2 3.95Å; F281-F298 HydrophobicContact CG-CZ 4.13Å; F281-F298 PolarHBondContact N-O 3.29Å; F281-F298 PolarHBondContact O-N 3.5Å; A283-F298 HydrophobicContact CB-CE1 4Å; F298-V300 HydrophobicContact CD2-CG2 4.5Å; F298-V300 HydrophobicContact CE2-CG2 4.19Å; F298-V305 HydrophobicContact CB-CG1 3.81Å; F298-V305 HydrophobicContact CD2-CB 4.45Å; F298-V305 HydrophobicContact CD2-CG1 3.63Å; F298-V305 HydrophobicContact CD2-CG2 4.12Å; F298-V305 HydrophobicContact CE2-CG1 4.37Å; F298-V305 HydrophobicContact CE2-CG2 4.19Å; F298-V305 HydrophobicContact CG-CG1 3.84Å; F298-Q306 CarbonylContact C-O 3.58Å; F298-Q306 VanDerWaalsContact CA-O 3.23Å; F298-Q306 WeakPolarHBondContact CA-O 3.42Å; F298-Q306 WeakPolarHBondContact CB-O 3.07Å; F298-F307 HydrophobicContact CB-CD1 3.84Å; F298-F307 HydrophobicContact CB-CE1 4.17Å; F298-F307 HydrophobicContact CB-CG 4.4Å; F298-F307 HydrophobicContact CD1-CE1 4.4Å
299C95.8Very high90.5Very high7 Ų765.9 Ų65.95%0.04736%0.358CS..EExtended strand (participates in β ladder)trans-112.6151.2169.1-67.70000109.6M301 Q306C299-M301 HydrophobicContact CB-CG 4.35Å; C299-M301 HydrophobicContact CB-SD 4.3Å; C299-Q306 PolarHBondContact N-O 2.72Å; C299-Q306 PolarHBondContact O-N 3.45Å
300V95.1Very high91Very high46 Ų4665.1 Ų65.128%0.27935%0.347SS..EExtended strand (participates in β ladder)trans-96118.4168.4176.50000107.8E56 F281 F298E56-V300 HydrophobicContact CB-CG1 4.21Å; E56-V300 HydrophobicContact CB-CG2 3.82Å; E56-V300 HydrophobicContact CG-CB 4.49Å; E56-V300 HydrophobicContact CG-CG1 3.68Å; E56-V300 HydrophobicContact CG-CG2 3.95Å; E56-V300 VanDerWaalsContact OE2-CG1 3.31Å; E56-V300 WeakPolarHBondContact OE2-CG1 3.48Å; F281-V300 HydrophobicContact CD2-CG2 3.92Å; F281-V300 HydrophobicContact CE2-CB 4.06Å; F281-V300 HydrophobicContact CE2-CG2 3.6Å; F281-V300 HydrophobicContact CZ-CG2 4.31Å; F298-V300 HydrophobicContact CD2-CG2 4.5Å; F298-V300 HydrophobicContact CE2-CG2 4.19Å
301M93.8Very high91.7Very high68 Ų6865.8 Ų65.834%0.33535%0.348SS..EExtended strand (participates in β ladder)trans-120176.3-177.9-58.5-65.7-70.100109.8R91 C299 G303 G304 Q306R91-M301 PolarHBondContact NH2-O 3.46Å; C299-M301 HydrophobicContact CB-CG 4.35Å; C299-M301 HydrophobicContact CB-SD 4.3Å; M301-G303 VanDerWaalsContact C-N 3.32Å; M301-G303 PolarHBondContact O-N 3.39Å; M301-G304 PolarHBondContact N-O 3.45Å; M301-G304 PolarHBondContact O-N 2.99Å; M301-Q306 HydrophobicContact CG-CB 4.2Å
302E91Very high92.8Very high131 Ų13153.6 Ų53.661%0.61231%0.308SS*.THydrogen-bonded Turntrans-57.2-45.1177.6-170.3176173.800112R91 T94 G304R91-E302 PolarHBondContact NH1-O 3.08Å; T94-E302 HydrophobicContact CG2-CG 3.89Å; E302-G304 PolarHBondContact O-N 2.9Å; E302-G304 VanDerWaalsContact O-N 3.12Å
303G90.9Very high93.6Very high19 Ų1954.6 Ų54.620%0.19630%0.303CS..THydrogen-bonded Turntrans-75.915.5173.900000115.7M301M301-G303 VanDerWaalsContact C-N 3.32Å; M301-G303 PolarHBondContact O-N 3.39Å
304G93.7Very high94Very high2 Ų252.7 Ų52.72%0.02129%0.289CS..EExtended strand (participates in β ladder)trans94.7-146177.600000113.4M301 E302M301-G304 PolarHBondContact N-O 3.45Å; M301-G304 PolarHBondContact O-N 2.99Å; E302-G304 PolarHBondContact O-N 2.9Å; E302-G304 VanDerWaalsContact O-N 3.12Å
305V96.3Very high94.1Very high3 Ų352.9 Ų52.92%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-77.1130.4-176.7172.20000111.1E56 H60 R99 F298 F307E56-V305 HydrophobicContact CB-CG2 4.34Å; H60-V305 HydrophobicContact CB-CB 3.91Å; H60-V305 HydrophobicContact CB-CG2 3.99Å; R99-V305 PolarHBondContact NH2-O 3.39Å; F298-V305 HydrophobicContact CB-CG1 3.81Å; F298-V305 HydrophobicContact CD2-CB 4.45Å; F298-V305 HydrophobicContact CD2-CG1 3.63Å; F298-V305 HydrophobicContact CD2-CG2 4.12Å; F298-V305 HydrophobicContact CE2-CG1 4.37Å; F298-V305 HydrophobicContact CE2-CG2 4.19Å; F298-V305 HydrophobicContact CG-CG1 3.84Å; V305-F307 HydrophobicContact CG1-CD2 4.31Å; V305-F307 HydrophobicContact CG1-CE1 4.23Å; V305-F307 HydrophobicContact CG1-CE2 3.84Å; V305-F307 HydrophobicContact CG1-CZ 3.79Å
306Q95.2Very high94.2Very high109 Ų10949.7 Ų49.751%0.50927%0.267SS..EExtended strand (participates in β ladder)trans-122.4115172.2-174.6178.113.800109.8F298 C299 M301F298-Q306 CarbonylContact C-O 3.58Å; F298-Q306 VanDerWaalsContact CA-O 3.23Å; F298-Q306 WeakPolarHBondContact CA-O 3.42Å; F298-Q306 WeakPolarHBondContact CB-O 3.07Å; C299-Q306 PolarHBondContact N-O 2.72Å; C299-Q306 PolarHBondContact O-N 3.45Å; M301-Q306 HydrophobicContact CG-CB 4.2Å
307F94.4Very high94.1Very high34 Ų3452.6 Ų52.615%0.14928%0.281CS..EExtended strand (participates in β ladder)trans-72.9149.9176-63.4-80.9000111.7E28 H30 I31 S297 F298 V305E28-F307 HydrophobicContact CG-CE2 3.98Å; E28-F307 HydrophobicContact CG-CZ 3.81Å; E28-F307 WeakPolarHBondContact OE2-CE2 3.33Å; H30-F307 HydrophobicContact CB-CB 4.22Å; H30-F307 HydrophobicContact CB-CD1 3.49Å; H30-F307 VanDerWaalsContact CB-CD1 3.49Å; H30-F307 HydrophobicContact CB-CD2 3.7Å; H30-F307 HydrophobicContact CB-CE1 3.69Å; H30-F307 HydrophobicContact CB-CE2 3.9Å; H30-F307 HydrophobicContact CB-CG 3.51Å; H30-F307 HydrophobicContact CB-CZ 3.89Å; H30-F307 AromaticContact CG-CD2 3.67Å; H30-F307 AromaticContact CG-CG 3.63Å; H30-F307 AromaticContact ND1-CD2 3.74Å; I31-F307 HydrophobicContact CD1-CE1 4.31Å; I31-F307 HydrophobicContact CD1-CZ 3.87Å; I31-F307 HydrophobicContact CG1-CE1 3.74Å; I31-F307 HydrophobicContact CG1-CZ 3.63Å; S297-F307 WeakPolarHBondContact O-CA 3.44Å; F298-F307 HydrophobicContact CB-CD1 3.84Å; F298-F307 HydrophobicContact CB-CE1 4.17Å; F298-F307 HydrophobicContact CB-CG 4.4Å; F298-F307 HydrophobicContact CD1-CE1 4.4Å; V305-F307 HydrophobicContact CG1-CD2 4.31Å; V305-F307 HydrophobicContact CG1-CE1 4.23Å; V305-F307 HydrophobicContact CG1-CE2 3.84Å; V305-F307 HydrophobicContact CG1-CZ 3.79Å
308L91.8Very high94Very high158 Ų15852.5 Ų52.583%0.82727%0.272SS*.  trans-102.90-177.1-59.9179.6000112.7V280 S297V280-L308 HydrophobicContact CG1-CD1 3.74Å; V280-L308 HydrophobicContact CG2-CD1 4.12Å; S297-L308 PolarHBondContact O-N 3.46Å

Retrieved 308 of 308 residues in 161.9 ms (Link to these results)

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