A0A5K4EZV2_SCHMA Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB , UniProt , Accession A0A5K4EZV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 628 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
1M47.3Very low78.9Confident200 Ų20081.4 Ų81.499%0.98545%0.446SS*.  01470-67.5-175.4-167.500107.2
2S62.4Low80.1Confident74 Ų7475.4 Ų75.452%0.51741%0.413SS..  trans-56.9141.5166.7175.90000108.4D4 S7S2-D4 VanDerWaalsContact C-N 3.29Å; S2-D4 WeakPolarHBondContact OG-CB 3.43Å; S2-D4 PolarHBondContact OG-N 3.48Å; S2-S7 WeakPolarHBondContact CB-OG 3.44Å; S2-S7 PolarHBondContact O-OG 2.8Å
3S72.1Confident81Confident36 Ų3672.4 Ų72.425%0.25240%0.4SS..  trans-86.9-3.3175.945.40000112.3E27 S28S3-E27 VanDerWaalsContact CB-OE2 3.31Å; S3-E27 WeakPolarHBondContact CB-OE2 3.5Å; S3-E27 CarbonylContact O-C 3.59Å; S3-E27 WeakPolarHBondContact O-CA 3.31Å; S3-E27 PolarHBondContact OG-OE2 3.2Å; S3-S28 PolarHBondContact O-N 3.12Å; S3-S28 PolarHBondContact O-OG 2.9Å
4D84.1Confident81.8Confident61 Ų6175.4 Ų75.433%0.32641%0.41SS..BIsolated β-bridgetrans-62.4141.8177-175.926.5000112.2S2 N6 S7S2-D4 VanDerWaalsContact C-N 3.29Å; S2-D4 WeakPolarHBondContact OG-CB 3.43Å; S2-D4 PolarHBondContact OG-N 3.48Å; D4-N6 PolarHBondContact O-N 3.33Å; D4-N6 WeakPolarHBondContact OD2-CB 3.42Å; D4-N6 PolarHBondContact OD2-ND2 3.35Å; D4-S7 WeakPolarHBondContact O-CB 3.34Å; D4-S7 PolarHBondContact O-N 3.17Å; D4-S7 PolarHBondContact O-OG 3.06Å
5W86.1Confident82.5Confident12 Ų1270.6 Ų70.65%0.04539%0.385CS..G310 helixtrans-60.9-30.9178.9-68.9100.1000113.2S7 L8 L12 L17 I20 F25 Q32 I36 I61W5-S7 PolarHBondContact O-N 3.28Å; W5-L8 HydrophobicContact CE3-CD1 3.97Å; W5-L8 HydrophobicContact CZ3-CD1 4.48Å; W5-L8 WeakPolarHBondContact O-CG 3.24Å; W5-L8 PolarHBondContact O-N 2.91Å; W5-L12 HydrophobicContact CE3-CD1 4.23Å; W5-L17 HydrophobicContact CB-CD2 4.08Å; W5-I20 HydrophobicContact CD2-CD1 4.04Å; W5-I20 HydrophobicContact CD2-CG2 4.1Å; W5-I20 HydrophobicContact CE3-CD1 3.95Å; W5-I20 HydrophobicContact CG-CG2 4.25Å; W5-I20 HydrophobicContact CH2-CD1 4.46Å; W5-I20 HydrophobicContact CZ2-CG2 3.98Å; W5-I20 HydrophobicContact CZ3-CD1 4.18Å; W5-F25 HydrophobicContact CZ2-CB 4.42Å; W5-F25 PolarHBondContact NE1-O 2.83Å; W5-Q32 HydrophobicContact CH2-CB 4.39Å; W5-Q32 HydrophobicContact CH2-CG 4.45Å; W5-Q32 HydrophobicContact CZ3-CB 4.47Å; W5-I36 HydrophobicContact CZ3-CD1 3.91Å; W5-I61 HydrophobicContact CE3-CD1 4.38Å; W5-I61 HydrophobicContact CH2-CD1 3.71Å; W5-I61 HydrophobicContact CZ3-CD1 3.48Å; W5-I61 VanDerWaalsContact CZ3-CD1 3.48Å
6N84Confident83.2Confident114 Ų11466.2 Ų66.261%0.6136%0.361SS*.G310 helixtrans-74.5-14.6177.4-56.3-61.8000113.1D4 L8D4-N6 PolarHBondContact O-N 3.33Å; D4-N6 WeakPolarHBondContact OD2-CB 3.42Å; D4-N6 PolarHBondContact OD2-ND2 3.35Å; N6-L8 VanDerWaalsContact C-N 3.34Å
7S82.8Confident83.9Confident53 Ų5365.2 Ų65.237%0.37136%0.355SS..G310 helixtrans-88.4-2.1179.376.30000113.8S2 D4 W5S2-S7 WeakPolarHBondContact CB-OG 3.44Å; S2-S7 PolarHBondContact O-OG 2.8Å; D4-S7 WeakPolarHBondContact O-CB 3.34Å; D4-S7 PolarHBondContact O-N 3.17Å; D4-S7 PolarHBondContact O-OG 3.06Å; W5-S7 PolarHBondContact O-N 3.28Å
8L85.7Confident84.4Confident14 Ų1466.6 Ų66.67%0.07336%0.357CS..SBendtrans-57.1145170.9-68176.6000109.7W5 N6 V10 L12 Q33 I36W5-L8 HydrophobicContact CE3-CD1 3.97Å; W5-L8 HydrophobicContact CZ3-CD1 4.48Å; W5-L8 WeakPolarHBondContact O-CG 3.24Å; W5-L8 PolarHBondContact O-N 2.91Å; N6-L8 VanDerWaalsContact C-N 3.34Å; L8-V10 HydrophobicContact CB-CG2 4.25Å; L8-V10 PolarHBondContact O-N 3.32Å; L8-L12 HydrophobicContact CD1-CD1 3.97Å; L8-L12 HydrophobicContact CD1-CG 4.38Å; L8-Q33 HydrophobicContact CD2-CB 4.23Å; L8-Q33 HydrophobicContact CD2-CG 4.03Å; L8-I36 HydrophobicContact CD1-CD1 4.39Å
9P86.8Confident85Confident107 Ų10763.1 Ų63.170%0.69534%0.338SS*.SBendtrans-67.95178.930.4-37.6000113.4P37P9-P37 HydrophobicContact CG-CB 3.75Å; P9-P37 HydrophobicContact CG-CG 3.4Å; P9-P37 VanDerWaalsContact CG-CG 3.4Å
10V87.4Confident85.4Confident31 Ų3160.1 Ų60.119%0.18832%0.322CS..SBendtrans-134133.9-179.1-69.10000108.5L8 I36 P37 L40L8-V10 HydrophobicContact CB-CG2 4.25Å; L8-V10 PolarHBondContact O-N 3.32Å; V10-I36 HydrophobicContact CG2-CG2 4.23Å; V10-P37 HydrophobicContact CG1-CB 4.18Å; V10-P37 HydrophobicContact CG2-CB 4.4Å; V10-P37 HydrophobicContact CG2-CG 4.14Å; V10-L40 HydrophobicContact CB-CD1 4.1Å; V10-L40 HydrophobicContact CG1-CD1 4.49Å; V10-L40 HydrophobicContact CG2-CD1 3.73Å
11K89.2Confident85.7Confident193 Ų19363.2 Ų63.284%0.83934%0.339SS*.PPolyproline II helixtrans-77127.7175.8-171.7175.3-179.2178.70109.8
12L92.7Very high87.8Confident10 Ų1056 Ų565%0.05231%0.311CS..PPolyproline II helixtrans-89.9147.3173.8-59.4-177.4000110.7W5 L8 I16 L17 I20 I36 L40 I61W5-L12 HydrophobicContact CE3-CD1 4.23Å; L8-L12 HydrophobicContact CD1-CD1 3.97Å; L8-L12 HydrophobicContact CD1-CG 4.38Å; L12-I16 HydrophobicContact CD1-CG2 4.4Å; L12-L17 HydrophobicContact CB-CD2 4.17Å; L12-L17 HydrophobicContact CB-CG 4.15Å; L12-L17 HydrophobicContact CD1-CD2 4.18Å; L12-I20 HydrophobicContact CD1-CD1 4.22Å; L12-I36 HydrophobicContact CD2-CG2 4.27Å; L12-L40 HydrophobicContact CD2-CD1 4.41Å; L12-I61 HydrophobicContact CD1-CG2 4.1Å; L12-I61 HydrophobicContact CD2-CG2 3.79Å
13S92.1Very high89.1Confident36 Ų3655.6 Ų55.625%0.25230%0.303SS..PPolyproline II helixtrans-62.4147.1174.8-62.10000112.4G15 I16 L17 E65S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.47Å; S13-I16 WeakPolarHBondContact O-CB 3.43Å; S13-I16 PolarHBondContact O-N 3.19Å; S13-L17 PolarHBondContact O-N 3.39Å; S13-L17 VanDerWaalsContact O-N 3.14Å; S13-E65 WeakPolarHBondContact CB-OE2 3.49Å; S13-E65 PolarHBondContact N-OE2 3.29Å; S13-E65 PolarHBondContact OG-OE1 3.1Å; S13-E65 PolarHBondContact OG-OE2 2.8Å
14E92.4Very high89.7Confident115 Ų11556.4 Ų56.454%0.53732%0.317SS..Hα-helixtrans-57-42.5-176.9-177.4-174.716700112.8I16 L17 K18 T108E14-I16 PolarHBondContact O-N 3.22Å; E14-L17 PolarHBondContact O-N 3.34Å; E14-K18 HydrophobicContact CG-CD 4.36Å; E14-K18 WeakPolarHBondContact O-CG 3.46Å; E14-K18 PolarHBondContact O-N 3.16Å; E14-K18 WeakPolarHBondContact OE1-CE 3.17Å; E14-K18 IonicContact OE1-NZ 3.1Å; E14-K18 PolarHBondContact OE1-NZ 3.45Å; E14-T108 HydrophobicContact CB-CG2 4.02Å; E14-T108 HydrophobicContact CG-CG2 4.15Å
15G92.5Very high89.8Confident3 Ų358 Ų583%0.03132%0.321CS..Hα-helixtrans-61.7-31.4177.200000113.3S13 A19 Y104 T108S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.47Å; G15-A19 WeakPolarHBondContact O-CB 3.05Å; G15-A19 PolarHBondContact O-N 2.64Å; G15-A19 VanDerWaalsContact O-N 3.12Å; G15-Y104 WeakPolarHBondContact O-CB 3.31Å; G15-T108 WeakPolarHBondContact CA-OG1 3.48Å
16I94.2Very high89.6Confident0 Ų065.8 Ų65.80%036%0.355CS..Hα-helixtrans-72.5-45.3176-64.7179.9000109.9L12 S13 E14 K18 A19 I20 I61 L64 E65 L68 F101 V105L12-I16 HydrophobicContact CD1-CG2 4.4Å; S13-I16 WeakPolarHBondContact O-CB 3.43Å; S13-I16 PolarHBondContact O-N 3.19Å; E14-I16 PolarHBondContact O-N 3.22Å; I16-K18 PolarHBondContact O-N 2.86Å; I16-A19 WeakPolarHBondContact O-CB 3.36Å; I16-A19 PolarHBondContact O-N 3.49Å; I16-A19 VanDerWaalsContact O-N 3.15Å; I16-I20 HydrophobicContact CG2-CD1 3.94Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.26Å; I16-I61 HydrophobicContact CG2-CG1 4.3Å; I16-I61 HydrophobicContact CG2-CG2 4.01Å; I16-L64 HydrophobicContact CD1-CB 3.98Å; I16-E65 HydrophobicContact CD1-CB 3.92Å; I16-E65 WeakPolarHBondContact CD1-OE2 3.39Å; I16-L68 HydrophobicContact CD1-CD1 4.16Å; I16-L68 HydrophobicContact CG1-CD1 4.5Å; I16-F101 HydrophobicContact CG2-CD1 4.28Å; I16-F101 HydrophobicContact CG2-CE1 3.91Å; I16-V105 HydrophobicContact CG1-CG2 3.98Å
17L93.9Very high89.7Confident49 Ų4966.1 Ų66.126%0.25735%0.353SS..Hα-helixtrans-61.1-43.5177.4-69.2172.2000111.7W5 L12 S13 E14 A19 I20 D21W5-L17 HydrophobicContact CB-CD2 4.08Å; L12-L17 HydrophobicContact CB-CD2 4.17Å; L12-L17 HydrophobicContact CB-CG 4.15Å; L12-L17 HydrophobicContact CD1-CD2 4.18Å; S13-L17 PolarHBondContact O-N 3.39Å; S13-L17 VanDerWaalsContact O-N 3.14Å; E14-L17 PolarHBondContact O-N 3.34Å; L17-A19 VanDerWaalsContact C-N 3.31Å; L17-A19 PolarHBondContact O-N 3.4Å; L17-I20 PolarHBondContact O-N 3.26Å; L17-D21 WeakPolarHBondContact O-CB 3.4Å; L17-D21 PolarHBondContact O-N 3.46Å
18K93.9Very high90Very high91 Ų9163.8 Ų63.840%0.39634%0.336SS..Hα-helixtrans-60.6-38.9173.7-72178.8-178.7168.10112.5E14 I16 A22 Y104E14-K18 HydrophobicContact CG-CD 4.36Å; E14-K18 WeakPolarHBondContact O-CG 3.46Å; E14-K18 PolarHBondContact O-N 3.16Å; E14-K18 WeakPolarHBondContact OE1-CE 3.17Å; E14-K18 IonicContact OE1-NZ 3.1Å; E14-K18 PolarHBondContact OE1-NZ 3.45Å; I16-K18 PolarHBondContact O-N 2.86Å; K18-A22 VanDerWaalsContact O-CB 3.32Å; K18-A22 WeakPolarHBondContact O-CB 3.44Å; K18-A22 PolarHBondContact O-N 2.9Å; K18-Y104 HydrophobicContact CB-CD1 3.78Å; K18-Y104 HydrophobicContact CB-CE1 4.41Å; K18-Y104 HydrophobicContact CB-CG 4.48Å
19A94.5Very high90.1Very high0 Ų066.5 Ų66.50%035%0.351CS..Hα-helixtrans-66.4-40.6176.800000112.3G15 I16 L17 L23 H100 F101 Y104G15-A19 WeakPolarHBondContact O-CB 3.05Å; G15-A19 PolarHBondContact O-N 2.64Å; G15-A19 VanDerWaalsContact O-N 3.12Å; I16-A19 WeakPolarHBondContact O-CB 3.36Å; I16-A19 PolarHBondContact O-N 3.49Å; I16-A19 VanDerWaalsContact O-N 3.15Å; L17-A19 VanDerWaalsContact C-N 3.31Å; L17-A19 PolarHBondContact O-N 3.4Å; A19-L23 WeakPolarHBondContact O-CG 3.46Å; A19-L23 PolarHBondContact O-N 3.01Å; A19-H100 PolarHBondContact O-NE2 3.12Å; A19-F101 HydrophobicContact CB-CB 4.39Å; A19-F101 HydrophobicContact CB-CD1 3.49Å; A19-F101 VanDerWaalsContact CB-CD1 3.49Å; A19-F101 HydrophobicContact CB-CD2 4.39Å; A19-F101 HydrophobicContact CB-CE1 3.75Å; A19-F101 HydrophobicContact CB-CG 3.85Å; A19-F101 HydrophobicContact CB-CZ 4.32Å; A19-Y104 HydrophobicContact CB-CD2 3.76Å; A19-Y104 HydrophobicContact CB-CG 3.96Å
20I93.7Very high90.1Very high3 Ų364.5 Ų64.52%0.01534%0.338CS..Hα-helixtrans-63.4-48.8176.5-68.9167.5000110.3W5 L12 I16 L17 A22 L23 G24 F25 I61 F101W5-I20 HydrophobicContact CD2-CD1 4.04Å; W5-I20 HydrophobicContact CD2-CG2 4.1Å; W5-I20 HydrophobicContact CE3-CD1 3.95Å; W5-I20 HydrophobicContact CG-CG2 4.25Å; W5-I20 HydrophobicContact CH2-CD1 4.46Å; W5-I20 HydrophobicContact CZ2-CG2 3.98Å; W5-I20 HydrophobicContact CZ3-CD1 4.18Å; L12-I20 HydrophobicContact CD1-CD1 4.22Å; I16-I20 HydrophobicContact CG2-CD1 3.94Å; I16-I20 VanDerWaalsContact O-CG1 3.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.26Å; L17-I20 PolarHBondContact O-N 3.26Å; I20-A22 VanDerWaalsContact C-N 3.32Å; I20-A22 PolarHBondContact O-N 3.05Å; I20-L23 WeakPolarHBondContact O-CB 3.36Å; I20-L23 PolarHBondContact O-N 2.64Å; I20-G24 PolarHBondContact O-N 3.16Å; I20-F25 HydrophobicContact CG2-CB 4.1Å; I20-F25 VanDerWaalsContact CG2-O 3.3Å; I20-F25 WeakPolarHBondContact CG2-O 3.41Å; I20-F25 PolarHBondContact O-N 3.17Å; I20-I61 HydrophobicContact CD1-CD1 3.73Å; I20-I61 HydrophobicContact CD1-CG1 4.38Å; I20-I61 HydrophobicContact CG1-CD1 4.29Å; I20-F101 HydrophobicContact CD1-CE1 4.48Å; I20-F101 HydrophobicContact CG1-CE1 3.76Å; I20-F101 HydrophobicContact CG1-CZ 3.74Å
21D91.7Very high90.2Very high126 Ų12663.1 Ų63.167%0.67433%0.329SS*.Hα-helixtrans-60-42.4178.8-175.157.9000111.5L17 L23 G24L17-D21 WeakPolarHBondContact O-CB 3.4Å; L17-D21 PolarHBondContact O-N 3.46Å; D21-L23 PolarHBondContact O-N 3.26Å; D21-G24 WeakPolarHBondContact O-CA 3.26Å; D21-G24 PolarHBondContact O-N 3.22Å
22A92.5Very high90.4Very high49 Ų4954.1 Ų54.141%0.40529%0.29SS..Hα-helixtrans-65-22.6175.600000114.5K18 I20 G24 Y104K18-A22 VanDerWaalsContact O-CB 3.32Å; K18-A22 WeakPolarHBondContact O-CB 3.44Å; K18-A22 PolarHBondContact O-N 2.9Å; I20-A22 VanDerWaalsContact C-N 3.32Å; I20-A22 PolarHBondContact O-N 3.05Å; A22-G24 VanDerWaalsContact C-N 3.31Å; A22-Y104 HydrophobicContact CB-CE1 4.15Å; A22-Y104 HydrophobicContact CB-CE2 4.13Å; A22-Y104 WeakPolarHBondContact CB-OH 3.3Å
23L88Confident90.3Very high64 Ų6455.2 Ų55.234%0.33530%0.295SS..THydrogen-bonded Turntrans-83.2-9.6170.4-67.6172.1000112.6A19 I20 D21 F25 H100 F101A19-L23 WeakPolarHBondContact O-CG 3.46Å; A19-L23 PolarHBondContact O-N 3.01Å; I20-L23 WeakPolarHBondContact O-CB 3.36Å; I20-L23 PolarHBondContact O-N 2.64Å; D21-L23 PolarHBondContact O-N 3.26Å; L23-F25 HydrophobicContact CB-CD2 3.49Å; L23-F25 VanDerWaalsContact CB-CD2 3.49Å; L23-F25 HydrophobicContact CB-CE2 3.58Å; L23-F25 HydrophobicContact CB-CG 4.46Å; L23-F25 HydrophobicContact CD1-CD2 4.13Å; L23-F25 HydrophobicContact CD1-CE2 3.9Å; L23-F25 HydrophobicContact CG-CD2 4.44Å; L23-F25 HydrophobicContact CG-CE2 4.28Å; L23-H100 WeakPolarHBondContact CG-NE2 3.48Å; L23-F101 HydrophobicContact CD1-CD2 4.49Å; L23-F101 HydrophobicContact CD1-CE2 3.66Å; L23-F101 HydrophobicContact CD1-CZ 4.26Å
24G86.2Confident90.2Very high53 Ų5359.4 Ų59.455%0.54631%0.306SS..THydrogen-bonded Turntrans80.613.7-18000000114.6I20 D21 A22 K26I20-G24 PolarHBondContact O-N 3.16Å; D21-G24 WeakPolarHBondContact O-CA 3.26Å; D21-G24 PolarHBondContact O-N 3.22Å; A22-G24 VanDerWaalsContact C-N 3.31Å; G24-K26 PolarHBondContact O-N 2.72Å
25F85Confident90.3Very high94 Ų9454 Ų5441%0.41228%0.281SS..  trans-84.592.4179.3-62.6-56.2000110.8W5 I20 L23 E27 L57W5-F25 HydrophobicContact CZ2-CB 4.42Å; W5-F25 PolarHBondContact NE1-O 2.83Å; I20-F25 HydrophobicContact CG2-CB 4.1Å; I20-F25 VanDerWaalsContact CG2-O 3.3Å; I20-F25 WeakPolarHBondContact CG2-O 3.41Å; I20-F25 PolarHBondContact O-N 3.17Å; L23-F25 HydrophobicContact CB-CD2 3.49Å; L23-F25 VanDerWaalsContact CB-CD2 3.49Å; L23-F25 HydrophobicContact CB-CE2 3.58Å; L23-F25 HydrophobicContact CB-CG 4.46Å; L23-F25 HydrophobicContact CD1-CD2 4.13Å; L23-F25 HydrophobicContact CD1-CE2 3.9Å; L23-F25 HydrophobicContact CG-CD2 4.44Å; L23-F25 HydrophobicContact CG-CE2 4.28Å; F25-E27 PolarHBondContact O-N 3.17Å; F25-L57 HydrophobicContact CD2-CD1 3.55Å; F25-L57 HydrophobicContact CE2-CD1 3.74Å; F25-L57 HydrophobicContact CG-CD1 4.23Å
26K82.7Confident90.5Very high177 Ų17753.8 Ų53.877%0.7728%0.279SS*.  trans-68.3-33.5-177.6-63.2-173.7177.9-175.60114G24G24-K26 PolarHBondContact O-N 2.72Å
27E86.6Confident90.5Very high120 Ų12054.6 Ų54.656%0.56128%0.284SS*.BIsolated β-bridgetrans-129147.1-173-69.9-177.8-165.300111.4S3 F25S3-E27 VanDerWaalsContact CB-OE2 3.31Å; S3-E27 WeakPolarHBondContact CB-OE2 3.5Å; S3-E27 CarbonylContact O-C 3.59Å; S3-E27 WeakPolarHBondContact O-CA 3.31Å; S3-E27 PolarHBondContact OG-OE2 3.2Å; F25-E27 PolarHBondContact O-N 3.17Å
28S87.9Confident90.5Very high4 Ų453.7 Ų53.73%0.02828%0.28CS..  trans-82.2134175.262.50000111.1S3 Q33S3-S28 PolarHBondContact O-N 3.12Å; S3-S28 PolarHBondContact O-OG 2.9Å; S28-Q33 PolarHBondContact O-NE2 2.82Å; S28-Q33 VanDerWaalsContact O-NE2 3.15Å; S28-Q33 VanDerWaalsContact OG-CG 3.23Å; S28-Q33 WeakPolarHBondContact OG-CG 3.28Å; S28-Q33 PolarHBondContact OG-NE2 2.73Å; S28-Q33 VanDerWaalsContact OG-NE2 3.14Å
29L87.9Confident90.6Very high72 Ų7249.4 Ų49.438%0.37726%0.261SS..  trans-79.8156.3176.8-66173.2000111V31 Q32 Q33 S53L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 3.25Å; L29-V31 VanDerWaalsContact O-N 3.16Å; L29-Q32 HydrophobicContact CB-CG 4.43Å; L29-Q32 WeakPolarHBondContact O-CA 3.2Å; L29-Q32 VanDerWaalsContact O-CB 3.26Å; L29-Q32 WeakPolarHBondContact O-CB 3.25Å; L29-Q32 PolarHBondContact O-N 3.39Å; L29-Q33 PolarHBondContact O-N 2.79Å; L29-S53 WeakPolarHBondContact CD1-O 3.33Å
30P87.8Confident90.6Very high65 Ų6550.2 Ų50.242%0.42227%0.266SS..Hα-helixtrans-52.4-44.3-175.3-29.935.6000114.1Q32 Q33 Y34 V241P30-Q32 PolarHBondContact O-N 3.47Å; P30-Q33 WeakPolarHBondContact O-CB 3.04Å; P30-Q33 PolarHBondContact O-N 2.77Å; P30-Q33 VanDerWaalsContact O-N 3.14Å; P30-Y34 HydrophobicContact CB-CE2 4.47Å; P30-Y34 WeakPolarHBondContact O-CD2 3.24Å; P30-Y34 PolarHBondContact O-N 2.88Å; P30-Y34 VanDerWaalsContact O-N 3.09Å; P30-V241 HydrophobicContact CB-CG1 4Å
31V88.9Confident90.5Very high1 Ų153.9 Ų53.91%0.00629%0.288CS..Hα-helixtrans-60.2-33.6177.173.30000112.3L29 V35 A49 S53 K55 A58 V241L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 3.25Å; L29-V31 VanDerWaalsContact O-N 3.16Å; V31-V35 HydrophobicContact CG2-CG2 3.94Å; V31-V35 WeakPolarHBondContact O-CB 3.13Å; V31-V35 WeakPolarHBondContact O-CG2 3.41Å; V31-V35 PolarHBondContact O-N 2.85Å; V31-A49 HydrophobicContact CB-CB 4.25Å; V31-A49 HydrophobicContact CG2-CB 3.9Å; V31-S53 WeakPolarHBondContact CG1-O 3.33Å; V31-K55 HydrophobicContact CG2-CG 4.49Å; V31-A58 HydrophobicContact CG1-CB 4.26Å; V31-V241 HydrophobicContact CB-CG2 4.03Å; V31-V241 HydrophobicContact CG2-CG2 4.23Å
32Q93.2Very high90.3Very high5 Ų551.3 Ų51.32%0.02328%0.28CS..Hα-helixtrans-71.7-43.2177.1-61.1161-2.600110.3W5 L29 P30 Y34 I36 G54 A58W5-Q32 HydrophobicContact CH2-CB 4.39Å; W5-Q32 HydrophobicContact CH2-CG 4.45Å; W5-Q32 HydrophobicContact CZ3-CB 4.47Å; L29-Q32 HydrophobicContact CB-CG 4.43Å; L29-Q32 WeakPolarHBondContact O-CA 3.2Å; L29-Q32 VanDerWaalsContact O-CB 3.26Å; L29-Q32 WeakPolarHBondContact O-CB 3.25Å; L29-Q32 PolarHBondContact O-N 3.39Å; P30-Q32 PolarHBondContact O-N 3.47Å; Q32-Y34 VanDerWaalsContact C-N 3.31Å; Q32-Y34 PolarHBondContact O-N 3.4Å; Q32-I36 HydrophobicContact CB-CD1 3.85Å; Q32-I36 HydrophobicContact CB-CG1 4.49Å; Q32-I36 VanDerWaalsContact O-CB 3.24Å; Q32-I36 WeakPolarHBondContact O-CB 3.5Å; Q32-I36 WeakPolarHBondContact O-CD1 3.07Å; Q32-I36 WeakPolarHBondContact O-CG1 3.35Å; Q32-I36 PolarHBondContact O-N 2.62Å; Q32-G54 PolarHBondContact NE2-O 3.22Å; Q32-A58 HydrophobicContact CB-CB 4.36Å; Q32-A58 HydrophobicContact CG-CB 3.83Å
33Q90.7Very high90.3Very high33 Ų3353.6 Ų53.615%0.15428%0.281CS..Hα-helixtrans-59.7-39.2178.6-66.4175.2-8.200113.1L8 S28 L29 P30 P37L8-Q33 HydrophobicContact CD2-CB 4.23Å; L8-Q33 HydrophobicContact CD2-CG 4.03Å; S28-Q33 PolarHBondContact O-NE2 2.82Å; S28-Q33 VanDerWaalsContact O-NE2 3.15Å; S28-Q33 VanDerWaalsContact OG-CG 3.23Å; S28-Q33 WeakPolarHBondContact OG-CG 3.28Å; S28-Q33 PolarHBondContact OG-NE2 2.73Å; S28-Q33 VanDerWaalsContact OG-NE2 3.14Å; L29-Q33 PolarHBondContact O-N 2.79Å; P30-Q33 WeakPolarHBondContact O-CB 3.04Å; P30-Q33 PolarHBondContact O-N 2.77Å; P30-Q33 VanDerWaalsContact O-N 3.14Å; Q33-P37 WeakPolarHBondContact O-CD 3.1Å; Q33-P37 VanDerWaalsContact O-CG 3.24Å; Q33-P37 WeakPolarHBondContact O-CG 3.5Å
34Y90.7Very high90.7Very high124 Ų12451 Ų5149%0.48627%0.267SS..Hα-helixtrans-83.3-43.9179.3-67.7-68.9000112.9P30 Q32 L38P30-Y34 HydrophobicContact CB-CE2 4.47Å; P30-Y34 WeakPolarHBondContact O-CD2 3.24Å; P30-Y34 PolarHBondContact O-N 2.88Å; P30-Y34 VanDerWaalsContact O-N 3.09Å; Q32-Y34 VanDerWaalsContact C-N 3.31Å; Q32-Y34 PolarHBondContact O-N 3.4Å; Y34-L38 VanDerWaalsContact O-CD1 3.26Å; Y34-L38 WeakPolarHBondContact O-CD1 3.5Å; Y34-L38 WeakPolarHBondContact O-CG 3.23Å
35V94.3Very high91.1Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-76.3-39.5-171.4172.80000112.5V31 L38 L39 V45 A47 A58 F217 V239V31-V35 HydrophobicContact CG2-CG2 3.94Å; V31-V35 WeakPolarHBondContact O-CB 3.13Å; V31-V35 WeakPolarHBondContact O-CG2 3.41Å; V31-V35 PolarHBondContact O-N 2.85Å; V35-L38 PolarHBondContact O-N 3.38Å; V35-L39 HydrophobicContact CG1-CD1 3.71Å; V35-L39 HydrophobicContact CG1-CG 4.17Å; V35-L39 PolarHBondContact O-N 3.45Å; V35-V45 HydrophobicContact CG1-CG1 4.26Å; V35-V45 HydrophobicContact CG2-CG1 4.19Å; V35-A47 HydrophobicContact CG2-CB 3.88Å; V35-A58 HydrophobicContact CB-CB 4.21Å; V35-A58 HydrophobicContact CG1-CB 4.32Å; V35-F217 HydrophobicContact CG1-CE1 3.89Å; V35-F217 HydrophobicContact CG1-CZ 3.69Å; V35-F217 HydrophobicContact CG2-CE1 4.42Å; V35-V239 HydrophobicContact CG2-CB 4.47Å; V35-V239 HydrophobicContact CG2-CG1 4.26Å
36I95.8Very high91.5Very high0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-59.5-50.6-175-64.2172.7000111.1W5 L8 V10 L12 Q32 L38 L39 L40 I61 P62W5-I36 HydrophobicContact CZ3-CD1 3.91Å; L8-I36 HydrophobicContact CD1-CD1 4.39Å; V10-I36 HydrophobicContact CG2-CG2 4.23Å; L12-I36 HydrophobicContact CD2-CG2 4.27Å; Q32-I36 HydrophobicContact CB-CD1 3.85Å; Q32-I36 HydrophobicContact CB-CG1 4.49Å; Q32-I36 VanDerWaalsContact O-CB 3.24Å; Q32-I36 WeakPolarHBondContact O-CB 3.5Å; Q32-I36 WeakPolarHBondContact O-CD1 3.07Å; Q32-I36 WeakPolarHBondContact O-CG1 3.35Å; Q32-I36 PolarHBondContact O-N 2.62Å; I36-L38 VanDerWaalsContact C-N 3.33Å; I36-L38 PolarHBondContact O-N 3.03Å; I36-L39 PolarHBondContact O-N 3.22Å; I36-L40 HydrophobicContact CG2-CD1 3.8Å; I36-L40 HydrophobicContact CG2-CG 4.49Å; I36-L40 WeakPolarHBondContact O-CB 3.37Å; I36-L40 VanDerWaalsContact O-CG 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.34Å; I36-L40 PolarHBondContact O-N 3.39Å; I36-L40 VanDerWaalsContact O-N 3.09Å; I36-I61 HydrophobicContact CD1-CB 4.19Å; I36-I61 HydrophobicContact CD1-CD1 3.93Å; I36-I61 HydrophobicContact CD1-CG2 4.14Å; I36-I61 HydrophobicContact CG2-CG2 4.23Å; I36-P62 HydrophobicContact CG1-CG 4.46Å
37P94.6Very high91.9Very high16 Ų1636.4 Ų36.410%0.10419%0.191CC..Hα-helixtrans-63.1-36.2177.5-23.536000113.5P9 V10 Q33 L40 T41P9-P37 HydrophobicContact CG-CB 3.75Å; P9-P37 HydrophobicContact CG-CG 3.4Å; P9-P37 VanDerWaalsContact CG-CG 3.4Å; V10-P37 HydrophobicContact CG1-CB 4.18Å; V10-P37 HydrophobicContact CG2-CB 4.4Å; V10-P37 HydrophobicContact CG2-CG 4.14Å; Q33-P37 WeakPolarHBondContact O-CD 3.1Å; Q33-P37 VanDerWaalsContact O-CG 3.24Å; Q33-P37 WeakPolarHBondContact O-CG 3.5Å; P37-L40 PolarHBondContact O-N 2.91Å; P37-T41 WeakPolarHBondContact O-CB 3.39Å; P37-T41 VanDerWaalsContact O-CG2 3.31Å; P37-T41 WeakPolarHBondContact O-CG2 3.34Å; P37-T41 PolarHBondContact O-N 3.09Å; P37-T41 PolarHBondContact O-OG1 3.36Å
38L94.6Very high91.9Very high31 Ų3132 Ų3216%0.16217%0.171CC..Hα-helixtrans-65.3-47.1-179.7-69.3171.3000111.8Y34 V35 I36 L40 T41 K43 V45 V237 V239Y34-L38 VanDerWaalsContact O-CD1 3.26Å; Y34-L38 WeakPolarHBondContact O-CD1 3.5Å; Y34-L38 WeakPolarHBondContact O-CG 3.23Å; V35-L38 PolarHBondContact O-N 3.38Å; I36-L38 VanDerWaalsContact C-N 3.33Å; I36-L38 PolarHBondContact O-N 3.03Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.49Å; L38-T41 WeakPolarHBondContact CA-OG1 3.44Å; L38-T41 PolarHBondContact O-N 3.11Å; L38-T41 PolarHBondContact O-OG1 2.88Å; L38-T41 VanDerWaalsContact O-OG1 3.06Å; L38-K43 HydrophobicContact CD2-CD 3.9Å; L38-K43 WeakPolarHBondContact O-CB 3.47Å; L38-K43 PolarHBondContact O-N 3.44Å; L38-K43 VanDerWaalsContact O-N 3.12Å; L38-V45 HydrophobicContact CB-CG2 3.63Å; L38-V45 HydrophobicContact CD1-CG2 4.34Å; L38-V237 HydrophobicContact CD1-CB 4.32Å; L38-V237 HydrophobicContact CD1-CG1 3.81Å; L38-V237 HydrophobicContact CD2-CG1 4.23Å; L38-V237 HydrophobicContact CD2-CG2 4.35Å; L38-V239 HydrophobicContact CD1-CG2 3.45Å; L38-V239 VanDerWaalsContact CD1-CG2 3.45Å
39L94.8Very high91.7Very high1 Ų131.9 Ų31.91%0.00517%0.17CC..Hα-helixtrans-64.2-38.8176.3-72.9174.5000111.4V35 I36 T41 S42 V45 P62 F217V35-L39 HydrophobicContact CG1-CD1 3.71Å; V35-L39 HydrophobicContact CG1-CG 4.17Å; V35-L39 PolarHBondContact O-N 3.45Å; I36-L39 PolarHBondContact O-N 3.22Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.2Å; L39-S42 PolarHBondContact O-N 3.38Å; L39-V45 HydrophobicContact CD2-CB 4.13Å; L39-V45 HydrophobicContact CD2-CG2 3.85Å; L39-V45 HydrophobicContact CG-CB 4.42Å; L39-V45 HydrophobicContact CG-CG2 3.93Å; L39-P62 HydrophobicContact CB-CB 3.73Å; L39-P62 HydrophobicContact CB-CG 4.06Å; L39-P62 HydrophobicContact CD1-CB 4.13Å; L39-P62 HydrophobicContact CD1-CG 3.53Å; L39-P62 HydrophobicContact CG-CG 4.43Å; L39-F217 HydrophobicContact CD1-CZ 4.41Å
40L94.6Very high91.1Very high17 Ų1729.4 Ų29.49%0.08916%0.157CC..Hα-helixtrans-71-26178.5-68.8177.8000114.2V10 L12 I36 P37 L38 S42 P62 E65 I66V10-L40 HydrophobicContact CB-CD1 4.1Å; V10-L40 HydrophobicContact CG1-CD1 4.49Å; V10-L40 HydrophobicContact CG2-CD1 3.73Å; L12-L40 HydrophobicContact CD2-CD1 4.41Å; I36-L40 HydrophobicContact CG2-CD1 3.8Å; I36-L40 HydrophobicContact CG2-CG 4.49Å; I36-L40 WeakPolarHBondContact O-CB 3.37Å; I36-L40 VanDerWaalsContact O-CG 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.34Å; I36-L40 PolarHBondContact O-N 3.39Å; I36-L40 VanDerWaalsContact O-N 3.09Å; P37-L40 PolarHBondContact O-N 2.91Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.49Å; L40-S42 PolarHBondContact O-N 3.45Å; L40-P62 HydrophobicContact CD2-CB 4.09Å; L40-P62 HydrophobicContact CG-CB 4.06Å; L40-E65 HydrophobicContact CD1-CG 3.98Å; L40-E65 HydrophobicContact CD2-CB 3.74Å; L40-E65 HydrophobicContact CD2-CG 3.51Å; L40-E65 HydrophobicContact CG-CG 4.43Å; L40-I66 HydrophobicContact CD2-CG1 3.93Å
41T91.9Very high90.3Very high80 Ų8026.9 Ų26.949%0.49114%0.14SC..THydrogen-bonded Turntrans-85.817.3172.853.30000112.9P37 L38 L39 K43P37-T41 WeakPolarHBondContact O-CB 3.39Å; P37-T41 VanDerWaalsContact O-CG2 3.31Å; P37-T41 WeakPolarHBondContact O-CG2 3.34Å; P37-T41 PolarHBondContact O-N 3.09Å; P37-T41 PolarHBondContact O-OG1 3.36Å; L38-T41 WeakPolarHBondContact CA-OG1 3.44Å; L38-T41 PolarHBondContact O-N 3.11Å; L38-T41 PolarHBondContact O-OG1 2.88Å; L38-T41 VanDerWaalsContact O-OG1 3.06Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-T41 PolarHBondContact O-N 3.2Å; T41-K43 PolarHBondContact O-N 3.02Å
42S88.6Confident89.4Confident71 Ų7128.6 Ų28.650%0.49716%0.158SC..THydrogen-bonded Turntrans65.531.9175.5-47.70000115.1L39 L40 R213L39-S42 PolarHBondContact O-N 3.38Å; L40-S42 PolarHBondContact O-N 3.45Å; S42-R213 PolarHBondContact OG-NE 3.48Å; S42-R213 PolarHBondContact OG-NH2 2.81Å
43K91.8Very high88.6Confident98 Ų9829.3 Ų29.343%0.42616%0.163SC..  trans-98.5143.3170.8-55.5-174-175.5178.70110.4L38 T41 V237L38-K43 HydrophobicContact CD2-CD 3.9Å; L38-K43 WeakPolarHBondContact O-CB 3.47Å; L38-K43 PolarHBondContact O-N 3.44Å; L38-K43 VanDerWaalsContact O-N 3.12Å; T41-K43 PolarHBondContact O-N 3.02Å; K43-V237 HydrophobicContact CB-CG2 4.2Å; K43-V237 HydrophobicContact CD-CG2 3.63Å; K43-V237 HydrophobicContact CG-CG2 4.49Å
44D95.6Very high88.2Confident10 Ų1028.7 Ų28.75%0.05317%0.166CC..  trans-73.1147163.3-76.33.8000108.9R213 T214 L233 R234 P236 V237D44-R213 WeakPolarHBondContact OD1-CA 3.22Å; D44-T214 VanDerWaalsContact CA-O 3.3Å; D44-T214 WeakPolarHBondContact CA-O 3.48Å; D44-T214 WeakPolarHBondContact CB-O 3.31Å; D44-T214 PolarHBondContact OD1-N 2.93Å; D44-L233 HydrophobicContact CB-CB 4.12Å; D44-L233 HydrophobicContact CB-CD2 4.27Å; D44-L233 HydrophobicContact CB-CG 4.23Å; D44-L233 WeakPolarHBondContact OD2-CA 3.43Å; D44-R234 PolarHBondContact OD2-N 3.44Å; D44-P236 HydrophobicContact CB-CB 4.11Å; D44-P236 CarbonylContact O-C 3.46Å; D44-P236 WeakPolarHBondContact O-CA 3.31Å; D44-V237 PolarHBondContact O-N 3.1Å
45V95.3Very high88.1Confident0 Ų023.5 Ų23.50%015%0.146CC..EExtended strand (participates in β ladder)trans-130.9131.2-175.7179.20000110V35 L38 L39 A47 T214 G215 L216 L233 V237 V239V35-V45 HydrophobicContact CG1-CG1 4.26Å; V35-V45 HydrophobicContact CG2-CG1 4.19Å; L38-V45 HydrophobicContact CB-CG2 3.63Å; L38-V45 HydrophobicContact CD1-CG2 4.34Å; L39-V45 HydrophobicContact CD2-CB 4.13Å; L39-V45 HydrophobicContact CD2-CG2 3.85Å; L39-V45 HydrophobicContact CG-CB 4.42Å; L39-V45 HydrophobicContact CG-CG2 3.93Å; V45-A47 HydrophobicContact CG1-CB 4.03Å; V45-T214 PolarHBondContact N-O 3.07Å; V45-G215 CarbonylContact O-C 3.56Å; V45-G215 WeakPolarHBondContact O-CA 3.49Å; V45-L216 PolarHBondContact O-N 3.01Å; V45-L233 WeakPolarHBondContact O-CD2 3.44Å; V45-V237 WeakPolarHBondContact CA-O 3.42Å; V45-V239 HydrophobicContact CG1-CG2 4.06Å
46A93.6Very high88Confident13 Ų1324.7 Ų24.711%0.10715%0.154CC..EExtended strand (participates in β ladder)trans-108.9102.1163.800000107.6L216 V229 L233 V237 R238 V239A46-L216 CarbonylContact C-O 3.58Å; A46-L216 WeakPolarHBondContact CA-O 3.31Å; A46-V229 HydrophobicContact CB-CG1 4.38Å; A46-V229 HydrophobicContact CB-CG2 4.07Å; A46-L233 HydrophobicContact CB-CD2 4.31Å; A46-V237 PolarHBondContact N-O 3.43Å; A46-R238 WeakPolarHBondContact O-CA 3.37Å; A46-V239 PolarHBondContact O-N 3.09Å
47A91.8Very high87.9Confident3 Ų325.3 Ų25.33%0.02516%0.157CC..EExtended strand (participates in β ladder)trans-102.7120.7-17600000111.1V35 V45 L216 F217 S218 V239V35-A47 HydrophobicContact CG2-CB 3.88Å; V45-A47 HydrophobicContact CG1-CB 4.03Å; A47-L216 PolarHBondContact N-O 3.3Å; A47-F217 HydrophobicContact CB-CD1 3.68Å; A47-F217 HydrophobicContact CB-CE1 3.68Å; A47-F217 HydrophobicContact CB-CG 4.47Å; A47-F217 HydrophobicContact CB-CZ 4.43Å; A47-F217 WeakPolarHBondContact O-CA 3.49Å; A47-S218 PolarHBondContact O-N 3.35Å; A47-V239 CarbonylContact C-O 3.55Å; A47-V239 WeakPolarHBondContact CA-O 3.3Å
48E86.3Confident87.9Confident28 Ų2824.5 Ų24.513%0.13115%0.152CC..EExtended strand (participates in β ladder)trans-104117.8168.8-175.6177.2-14500109.2S218 T220 Q221 V239 T240 V241E48-S218 WeakPolarHBondContact CA-O 3.05Å; E48-T220 WeakPolarHBondContact OE1-CA 3.31Å; E48-Q221 PolarHBondContact OE1-N 3.14Å; E48-Q221 WeakPolarHBondContact OE2-CG 3.22Å; E48-Q221 PolarHBondContact OE2-NE2 2.73Å; E48-V239 PolarHBondContact N-O 3.47Å; E48-T240 HydrophobicContact CB-CG2 4.46Å; E48-T240 WeakPolarHBondContact O-CA 3.43Å; E48-V241 PolarHBondContact O-N 2.7Å
49A82.4Confident88Confident1 Ų123 Ų231%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-150.6149.2171.400000110.5V31 S53 K55 S218 V241V31-A49 HydrophobicContact CB-CB 4.25Å; V31-A49 HydrophobicContact CG2-CB 3.9Å; A49-S53 VanDerWaalsContact CB-OG 3.26Å; A49-S53 WeakPolarHBondContact CB-OG 3.17Å; A49-K55 HydrophobicContact CB-CD 4.04Å; A49-K55 HydrophobicContact CB-CG 4.06Å; A49-K55 WeakPolarHBondContact O-CE 3.49Å; A49-K55 PolarHBondContact O-NZ 3.14Å; A49-S218 PolarHBondContact N-O 3.36Å; A49-S218 VanDerWaalsContact N-O 3.15Å; A49-V241 HydrophobicContact CB-CB 4.13Å
50I76.3Confident88.1Confident21 Ų2123 Ų2311%0.10814%0.144CC..  trans-60.4161.9-179.463.5170.4000112.1G52 S53 Q243 R260I50-G52 PolarHBondContact O-N 3.06Å; I50-S53 VanDerWaalsContact O-CB 3.29Å; I50-S53 WeakPolarHBondContact O-CB 3.41Å; I50-S53 PolarHBondContact O-N 2.69Å; I50-S53 PolarHBondContact O-OG 3.01Å; I50-Q243 HydrophobicContact CD1-CG 4.06Å; I50-R260 WeakPolarHBondContact CG2-O 3.28Å
51T71Confident88.2Confident12 Ų1222.2 Ų22.27%0.07414%0.14CC..THydrogen-bonded Turntrans-65.5137.9176.255.70000110.4S53T51-S53 VanDerWaalsContact C-N 3.32Å
52G69.5Low88.5Confident36 Ų3618.4 Ų18.437%0.37112%0.116SC..THydrogen-bonded Turntrans84.1-1-176.500000115.1I50 G54I50-G52 PolarHBondContact O-N 3.06Å; G52-G54 PolarHBondContact O-N 3.06Å
53S76.8Confident88.9Confident20 Ų2015.1 Ų15.114%0.149%0.093CC..SBendtrans-72.2-0.6175.956.80000115.1L29 V31 A49 I50 T51 K55L29-S53 WeakPolarHBondContact CD1-O 3.33Å; V31-S53 WeakPolarHBondContact CG1-O 3.33Å; A49-S53 VanDerWaalsContact CB-OG 3.26Å; A49-S53 WeakPolarHBondContact CB-OG 3.17Å; I50-S53 VanDerWaalsContact O-CB 3.29Å; I50-S53 WeakPolarHBondContact O-CB 3.41Å; I50-S53 PolarHBondContact O-N 2.69Å; I50-S53 PolarHBondContact O-OG 3.01Å; T51-S53 VanDerWaalsContact C-N 3.32Å; S53-K55 WeakPolarHBondContact OG-CG 3.38Å
54G81.9Confident89.1Confident21 Ų2110.5 Ų10.522%0.2167%0.073CC..SBendtrans88.819179.500000116.2Q32 G52 T56 L57 A58Q32-G54 PolarHBondContact NE2-O 3.22Å; G52-G54 PolarHBondContact O-N 3.06Å; G54-T56 PolarHBondContact O-N 3.03Å; G54-L57 PolarHBondContact O-N 3.28Å; G54-A58 PolarHBondContact O-N 2.99Å
55K88.5Confident89.1Confident14 Ų1410.6 Ų10.66%0.0617%0.073CC..Hα-helixtrans-50.4-39.4-179.6-65.6-172-69.2-156.40114.2V31 A49 S53 L57 A58 F59 F217 S218V31-K55 HydrophobicContact CG2-CG 4.49Å; A49-K55 HydrophobicContact CB-CD 4.04Å; A49-K55 HydrophobicContact CB-CG 4.06Å; A49-K55 WeakPolarHBondContact O-CE 3.49Å; A49-K55 PolarHBondContact O-NZ 3.14Å; S53-K55 WeakPolarHBondContact OG-CG 3.38Å; K55-L57 PolarHBondContact O-N 3.23Å; K55-A58 WeakPolarHBondContact O-CA 3.38Å; K55-A58 VanDerWaalsContact O-CB 3.26Å; K55-A58 WeakPolarHBondContact O-CB 3.22Å; K55-A58 PolarHBondContact O-N 3.29Å; K55-F59 WeakPolarHBondContact O-CD1 3.11Å; K55-F59 PolarHBondContact O-N 3.28Å; K55-F217 HydrophobicContact CB-CD1 4.21Å; K55-F217 HydrophobicContact CD-CD1 4.48Å; K55-F217 HydrophobicContact CG-CD1 4.45Å; K55-S218 PolarHBondContact NZ-O 2.88Å
56T92.1Very high89.1Confident26 Ų2610.9 Ų10.916%0.168%0.075CC..Hα-helixtrans-59.3-47-175.9-510000112.4G54 A58 F59 V60 I94 I97G54-T56 PolarHBondContact O-N 3.03Å; T56-A58 VanDerWaalsContact C-N 3.29Å; T56-A58 PolarHBondContact O-N 3.14Å; T56-F59 HydrophobicContact CG2-CE2 4.22Å; T56-F59 HydrophobicContact CG2-CZ 3.94Å; T56-F59 WeakPolarHBondContact O-CD2 3.47Å; T56-F59 PolarHBondContact O-N 2.96Å; T56-V60 HydrophobicContact CG2-CG2 4.15Å; T56-V60 WeakPolarHBondContact O-CB 3.43Å; T56-V60 VanDerWaalsContact O-CG2 3.25Å; T56-V60 WeakPolarHBondContact O-CG2 3.43Å; T56-V60 PolarHBondContact O-N 3.44Å; T56-I94 HydrophobicContact CG2-CG1 4.13Å; T56-I97 HydrophobicContact CG2-CD1 3.62Å
57L94Very high89.2Confident12 Ų1210.4 Ų10.46%0.0637%0.07CC..Hα-helixtrans-69.6-30.7176-63.7-176.6000112.2F25 G54 K55 F59 V60 I61 I97 F101F25-L57 HydrophobicContact CD2-CD1 3.55Å; F25-L57 HydrophobicContact CE2-CD1 3.74Å; F25-L57 HydrophobicContact CG-CD1 4.23Å; G54-L57 PolarHBondContact O-N 3.28Å; K55-L57 PolarHBondContact O-N 3.23Å; L57-F59 PolarHBondContact O-N 3.02Å; L57-V60 PolarHBondContact O-N 3.48Å; L57-I61 HydrophobicContact CB-CD1 4.05Å; L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.29Å; L57-I61 VanDerWaalsContact O-N 3.12Å; L57-I97 HydrophobicContact CD2-CG2 3.98Å; L57-F101 HydrophobicContact CD2-CE2 3.66Å; L57-F101 HydrophobicContact CD2-CZ 3.84Å
58A94.5Very high89.2Confident0 Ų011.7 Ų11.70%08%0.077CC..Hα-helixtrans-60.6-26.2178.200000112.9V31 Q32 V35 G54 K55 T56 P62 F217V31-A58 HydrophobicContact CG1-CB 4.26Å; Q32-A58 HydrophobicContact CB-CB 4.36Å; Q32-A58 HydrophobicContact CG-CB 3.83Å; V35-A58 HydrophobicContact CB-CB 4.21Å; V35-A58 HydrophobicContact CG1-CB 4.32Å; G54-A58 PolarHBondContact O-N 2.99Å; K55-A58 WeakPolarHBondContact O-CA 3.38Å; K55-A58 VanDerWaalsContact O-CB 3.26Å; K55-A58 WeakPolarHBondContact O-CB 3.22Å; K55-A58 PolarHBondContact O-N 3.29Å; T56-A58 VanDerWaalsContact C-N 3.29Å; T56-A58 PolarHBondContact O-N 3.14Å; A58-P62 VanDerWaalsContact O-CD 3.28Å; A58-P62 WeakPolarHBondContact O-CD 3.22Å; A58-P62 WeakPolarHBondContact O-CG 3.48Å; A58-F217 HydrophobicContact CB-CE1 4.36Å
59F96.3Very high89.4Confident0 Ų016.2 Ų16.20%010%0.096CC..Hα-helixtrans-105-30.6171.661.3-109.7000115.2K55 T56 L57 P62 V63 I83 I94 I185 D187 F217K55-F59 WeakPolarHBondContact O-CD1 3.11Å; K55-F59 PolarHBondContact O-N 3.28Å; T56-F59 HydrophobicContact CG2-CE2 4.22Å; T56-F59 HydrophobicContact CG2-CZ 3.94Å; T56-F59 WeakPolarHBondContact O-CD2 3.47Å; T56-F59 PolarHBondContact O-N 2.96Å; L57-F59 PolarHBondContact O-N 3.02Å; F59-P62 WeakPolarHBondContact O-CD 3.38Å; F59-P62 WeakPolarHBondContact O-CG 3.46Å; F59-V63 WeakPolarHBondContact O-CB 3.26Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 2.77Å; F59-V63 VanDerWaalsContact O-N 3.15Å; F59-I83 HydrophobicContact CD2-CD1 4.32Å; F59-I83 HydrophobicContact CE2-CD1 4.14Å; F59-I83 HydrophobicContact CE2-CG2 4.03Å; F59-I83 HydrophobicContact CZ-CG2 4.49Å; F59-I94 HydrophobicContact CE2-CG2 4.2Å; F59-I94 HydrophobicContact CZ-CD1 4.11Å; F59-I94 HydrophobicContact CZ-CG1 4.4Å; F59-I185 HydrophobicContact CB-CD1 3.85Å; F59-I185 HydrophobicContact CB-CG1 4.13Å; F59-I185 HydrophobicContact CB-CG2 4.07Å; F59-I185 HydrophobicContact CD1-CG2 3.98Å; F59-I185 HydrophobicContact CD2-CG1 4.31Å; F59-I185 HydrophobicContact CD2-CG2 3.82Å; F59-I185 HydrophobicContact CE1-CG2 4.3Å; F59-I185 HydrophobicContact CE2-CG2 4.19Å; F59-I185 HydrophobicContact CG-CG1 4.44Å; F59-I185 HydrophobicContact CG-CG2 3.72Å; F59-I185 HydrophobicContact CZ-CG2 4.41Å; F59-D187 HydrophobicContact CE1-CB 4.31Å; F59-D187 HydrophobicContact CZ-CB 4.3Å; F59-F217 HydrophobicContact CB-CD2 4.28Å; F59-F217 HydrophobicContact CB-CE1 4.33Å; F59-F217 HydrophobicContact CB-CE2 3.53Å; F59-F217 HydrophobicContact CB-CZ 3.56Å; F59-F217 HydrophobicContact CD1-CD1 4.08Å; F59-F217 AromaticContact CD1-CD2 3.74Å; F59-F217 HydrophobicContact CD1-CD2 3.74Å; F59-F217 HydrophobicContact CD1-CE1 4.13Å; F59-F217 AromaticContact CD1-CE2 3.83Å; F59-F217 HydrophobicContact CD1-CE2 3.83Å; F59-F217 AromaticContact CD1-CG 3.9Å; F59-F217 HydrophobicContact CD1-CG 3.9Å; F59-F217 HydrophobicContact CD1-CZ 4.03Å; F59-F217 HydrophobicContact CE1-CD2 4.47Å; F59-F217 HydrophobicContact CE1-CG 4.44Å; F59-F217 HydrophobicContact CG-CD2 4.36Å; F59-F217 HydrophobicContact CG-CE2 4.08Å; F59-F217 HydrophobicContact CG-CZ 4.3Å
60V97.7Very high89.7Confident1 Ų118 Ų181%0.00610%0.103CC..Hα-helixtrans-66.4-44.1-179.6168.40000111.3T56 L57 V63 L64 I97 V98 F101T56-V60 HydrophobicContact CG2-CG2 4.15Å; T56-V60 WeakPolarHBondContact O-CB 3.43Å; T56-V60 VanDerWaalsContact O-CG2 3.25Å; T56-V60 WeakPolarHBondContact O-CG2 3.43Å; T56-V60 PolarHBondContact O-N 3.44Å; L57-V60 PolarHBondContact O-N 3.48Å; V60-V63 WeakPolarHBondContact O-CB 3.31Å; V60-V63 PolarHBondContact O-N 3.47Å; V60-L64 HydrophobicContact CG1-CD1 3.82Å; V60-L64 WeakPolarHBondContact O-CD1 3.21Å; V60-L64 WeakPolarHBondContact O-CG 3.14Å; V60-L64 PolarHBondContact O-N 2.61Å; V60-L64 VanDerWaalsContact O-N 3.13Å; V60-I97 HydrophobicContact CG1-CG2 4.35Å; V60-I97 HydrophobicContact CG2-CG2 4.46Å; V60-V98 HydrophobicContact CG1-CG2 4.15Å; V60-V98 HydrophobicContact CG2-CG2 3.98Å; V60-F101 HydrophobicContact CG1-CD2 4.21Å; V60-F101 HydrophobicContact CG1-CG 4.42Å
61I97.3Very high90.2Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-58.6-54.6179.9-68.7167.6000111.7W5 L12 I16 I20 I36 L57 V63 L64 E65 F101W5-I61 HydrophobicContact CE3-CD1 4.38Å; W5-I61 HydrophobicContact CH2-CD1 3.71Å; W5-I61 HydrophobicContact CZ3-CD1 3.48Å; W5-I61 VanDerWaalsContact CZ3-CD1 3.48Å; L12-I61 HydrophobicContact CD1-CG2 4.1Å; L12-I61 HydrophobicContact CD2-CG2 3.79Å; I16-I61 HydrophobicContact CG2-CG1 4.3Å; I16-I61 HydrophobicContact CG2-CG2 4.01Å; I20-I61 HydrophobicContact CD1-CD1 3.73Å; I20-I61 HydrophobicContact CD1-CG1 4.38Å; I20-I61 HydrophobicContact CG1-CD1 4.29Å; I36-I61 HydrophobicContact CD1-CB 4.19Å; I36-I61 HydrophobicContact CD1-CD1 3.93Å; I36-I61 HydrophobicContact CD1-CG2 4.14Å; I36-I61 HydrophobicContact CG2-CG2 4.23Å; L57-I61 HydrophobicContact CB-CD1 4.05Å; L57-I61 WeakPolarHBondContact O-CB 3.41Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.29Å; L57-I61 VanDerWaalsContact O-N 3.12Å; I61-V63 VanDerWaalsContact C-N 3.31Å; I61-V63 PolarHBondContact O-N 2.95Å; I61-L64 PolarHBondContact O-N 3.15Å; I61-E65 PolarHBondContact O-N 3.41Å; I61-F101 HydrophobicContact CG1-CE1 4.07Å; I61-F101 HydrophobicContact CG1-CZ 4.21Å
62P96.9Very high91Very high0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-68.3-31.2-178.623.3-32.2000112.3I36 L39 L40 A58 F59 L64 E65 I66I36-P62 HydrophobicContact CG1-CG 4.46Å; L39-P62 HydrophobicContact CB-CB 3.73Å; L39-P62 HydrophobicContact CB-CG 4.06Å; L39-P62 HydrophobicContact CD1-CB 4.13Å; L39-P62 HydrophobicContact CD1-CG 3.53Å; L39-P62 HydrophobicContact CG-CG 4.43Å; L40-P62 HydrophobicContact CD2-CB 4.09Å; L40-P62 HydrophobicContact CG-CB 4.06Å; A58-P62 VanDerWaalsContact O-CD 3.28Å; A58-P62 WeakPolarHBondContact O-CD 3.22Å; A58-P62 WeakPolarHBondContact O-CG 3.48Å; F59-P62 WeakPolarHBondContact O-CD 3.38Å; F59-P62 WeakPolarHBondContact O-CG 3.46Å; P62-L64 PolarHBondContact O-N 3.14Å; P62-E65 PolarHBondContact O-N 2.87Å; P62-I66 WeakPolarHBondContact O-CB 3.48Å; P62-I66 VanDerWaalsContact O-CD1 3.25Å; P62-I66 WeakPolarHBondContact O-CD1 3.11Å; P62-I66 WeakPolarHBondContact O-CG1 3.48Å; P62-I66 PolarHBondContact O-N 3.47Å
63V97.5Very high91.9Very high2 Ų235 Ų351%0.01217%0.171CC..Hα-helixtrans-53.8-53.9170.7161.40000110F59 V60 I61 E65 I66 L67 A81 I145 V183 I185F59-V63 WeakPolarHBondContact O-CB 3.26Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 2.77Å; F59-V63 VanDerWaalsContact O-N 3.15Å; V60-V63 WeakPolarHBondContact O-CB 3.31Å; V60-V63 PolarHBondContact O-N 3.47Å; I61-V63 VanDerWaalsContact C-N 3.31Å; I61-V63 PolarHBondContact O-N 2.95Å; V63-E65 PolarHBondContact O-N 3.22Å; V63-I66 PolarHBondContact O-N 3.31Å; V63-L67 HydrophobicContact CG1-CD1 4Å; V63-L67 WeakPolarHBondContact O-CG 3.24Å; V63-L67 PolarHBondContact O-N 3.4Å; V63-L67 VanDerWaalsContact O-N 3.11Å; V63-A81 HydrophobicContact CG1-CB 3.42Å; V63-A81 VanDerWaalsContact CG1-CB 3.42Å; V63-A81 HydrophobicContact CG2-CB 4.44Å; V63-I145 HydrophobicContact CG1-CD1 4.08Å; V63-V183 HydrophobicContact CG2-CB 4.17Å; V63-V183 HydrophobicContact CG2-CG1 3.66Å; V63-I185 HydrophobicContact CG2-CD1 4.19Å; V63-I185 HydrophobicContact CG2-CG1 3.85Å
64L96.5Very high92.6Very high0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-63.2-44.9-177.7-69.4158000112.2I16 V60 I61 P62 I66 L67 L68 F101 I102 F114 I145I16-L64 HydrophobicContact CD1-CB 3.98Å; V60-L64 HydrophobicContact CG1-CD1 3.82Å; V60-L64 WeakPolarHBondContact O-CD1 3.21Å; V60-L64 WeakPolarHBondContact O-CG 3.14Å; V60-L64 PolarHBondContact O-N 2.61Å; V60-L64 VanDerWaalsContact O-N 3.13Å; I61-L64 PolarHBondContact O-N 3.15Å; P62-L64 PolarHBondContact O-N 3.14Å; L64-I66 VanDerWaalsContact C-N 3.34Å; L64-I66 PolarHBondContact O-N 2.73Å; L64-L67 PolarHBondContact O-N 3.48Å; L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.41Å; L64-F101 HydrophobicContact CD1-CB 3.35Å; L64-F101 HydrophobicContact CD1-CD1 3.63Å; L64-F101 HydrophobicContact CD1-CG 3.66Å; L64-I102 HydrophobicContact CD2-CG1 4.25Å; L64-F114 HydrophobicContact CD2-CD2 4.04Å; L64-F114 HydrophobicContact CD2-CE2 4.31Å; L64-I145 HydrophobicContact CD2-CD1 3.59Å; L64-I145 HydrophobicContact CG-CD1 4.35Å
65E95.3Very high93Very high13 Ų1339.9 Ų39.96%0.06118%0.184CC..Hα-helixtrans-66.4-34.1-178.9-177.965.6-141.500112.2S13 I16 L40 I61 P62 V63 K69S13-E65 WeakPolarHBondContact CB-OE2 3.49Å; S13-E65 PolarHBondContact N-OE2 3.29Å; S13-E65 PolarHBondContact OG-OE1 3.1Å; S13-E65 PolarHBondContact OG-OE2 2.8Å; I16-E65 HydrophobicContact CD1-CB 3.92Å; I16-E65 WeakPolarHBondContact CD1-OE2 3.39Å; L40-E65 HydrophobicContact CD1-CG 3.98Å; L40-E65 HydrophobicContact CD2-CB 3.74Å; L40-E65 HydrophobicContact CD2-CG 3.51Å; L40-E65 HydrophobicContact CG-CG 4.43Å; I61-E65 PolarHBondContact O-N 3.41Å; P62-E65 PolarHBondContact O-N 2.87Å; V63-E65 PolarHBondContact O-N 3.22Å; E65-K69 WeakPolarHBondContact O-CG 3.14Å; E65-K69 PolarHBondContact O-N 2.71Å; E65-K69 WeakPolarHBondContact OE1-CE 3.28Å; E65-K69 IonicContact OE1-NZ 3.84Å
66I94.9Very high92.8Very high6 Ų643 Ų433%0.03120%0.204CC..Hα-helixtrans-64.2-47.5171.5-71.5159.4000110.4L40 P62 V63 L64 L68 K69 E182 V183 R213L40-I66 HydrophobicContact CD2-CG1 3.93Å; P62-I66 WeakPolarHBondContact O-CB 3.48Å; P62-I66 VanDerWaalsContact O-CD1 3.25Å; P62-I66 WeakPolarHBondContact O-CD1 3.11Å; P62-I66 WeakPolarHBondContact O-CG1 3.48Å; P62-I66 PolarHBondContact O-N 3.47Å; V63-I66 PolarHBondContact O-N 3.31Å; L64-I66 VanDerWaalsContact C-N 3.34Å; L64-I66 PolarHBondContact O-N 2.73Å; I66-L68 VanDerWaalsContact C-N 3.27Å; I66-L68 PolarHBondContact O-N 3.04Å; I66-K69 PolarHBondContact O-N 3.48Å; I66-E182 HydrophobicContact CG2-CB 4.27Å; I66-V183 HydrophobicContact CB-CG2 4.09Å; I66-V183 HydrophobicContact CD1-CG2 3.7Å; I66-V183 HydrophobicContact CG1-CG2 4.49Å; I66-V183 HydrophobicContact CG2-CG2 3.73Å; I66-R213 VanDerWaalsContact CG2-NH1 3.31Å
67L95.1Very high92.6Very high2 Ų246.5 Ų46.51%0.0122%0.215CC..Hα-helixtrans-66.1-30.7-178.2-61.8175.3000112.5V63 L64 R70 W74 A81 F114 T144 I145V63-L67 HydrophobicContact CG1-CD1 4Å; V63-L67 WeakPolarHBondContact O-CG 3.24Å; V63-L67 PolarHBondContact O-N 3.4Å; V63-L67 VanDerWaalsContact O-N 3.11Å; L64-L67 PolarHBondContact O-N 3.48Å; L67-R70 WeakPolarHBondContact O-CB 3.13Å; L67-W74 HydrophobicContact CB-CZ2 4.17Å; L67-W74 HydrophobicContact CD2-CH2 3.6Å; L67-W74 HydrophobicContact CD2-CZ2 3.2Å; L67-W74 HydrophobicContact CG-CZ2 4.24Å; L67-W74 PolarHBondContact O-NE1 3.27Å; L67-A81 HydrophobicContact CD1-CB 4.05Å; L67-F114 HydrophobicContact CB-CE1 4.43Å; L67-F114 HydrophobicContact CB-CE2 3.81Å; L67-F114 HydrophobicContact CB-CZ 3.61Å; L67-T144 HydrophobicContact CD1-CG2 4.29Å; L67-I145 HydrophobicContact CD1-CD1 3.76Å; L67-I145 HydrophobicContact CD1-CG1 3.54Å
68L92.8Very high92.6Very high31 Ų3146.6 Ų46.616%0.16222%0.215CC..Hα-helixtrans-70.5-29.7176.4-79168.1000113.1I16 L64 I66 R70 V105 C112 F114I16-L68 HydrophobicContact CD1-CD1 4.16Å; I16-L68 HydrophobicContact CG1-CD1 4.5Å; L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.41Å; I66-L68 VanDerWaalsContact C-N 3.27Å; I66-L68 PolarHBondContact O-N 3.04Å; L68-R70 PolarHBondContact O-N 3.13Å; L68-V105 HydrophobicContact CD1-CG1 3.93Å; L68-V105 HydrophobicContact CD1-CG2 4.42Å; L68-V105 HydrophobicContact CD2-CG1 3.61Å; L68-V105 HydrophobicContact CG-CG1 4.09Å; L68-C112 HydrophobicContact CD2-CB 4.38Å; L68-C112 VanDerWaalsContact CD2-SG 3.59Å; L68-F114 HydrophobicContact CD2-CE2 4.09Å; L68-F114 HydrophobicContact CD2-CZ 3.81Å; L68-F114 HydrophobicContact CG-CE2 3.92Å; L68-F114 HydrophobicContact CG-CZ 3.87Å
69K90.6Very high92.7Very high123 Ų12346.6 Ų46.654%0.53522%0.215SC..THydrogen-bonded Turntrans-73.3-4179.5-73.8171.5-176.5177.40113.8E65 I66 K71E65-K69 WeakPolarHBondContact O-CG 3.14Å; E65-K69 PolarHBondContact O-N 2.71Å; E65-K69 WeakPolarHBondContact OE1-CE 3.28Å; E65-K69 IonicContact OE1-NZ 3.84Å; I66-K69 PolarHBondContact O-N 3.48Å; K69-K71 PolarHBondContact O-N 3.3Å
70R89.1Confident92.7Very high39 Ų3946.6 Ų46.615%0.14722%0.215CC..  trans-73126.5-177.6-170.1175.1140.6161.7-11.1110.8L67 L68 R72 P73 W74 E78 E182L67-R70 WeakPolarHBondContact O-CB 3.13Å; L68-R70 PolarHBondContact O-N 3.13Å; R70-R72 VanDerWaalsContact C-N 3.31Å; R70-R72 PolarHBondContact NE-O 3.08Å; R70-R72 VanDerWaalsContact NH2-NH2 3.17Å; R70-R72 PolarHBondContact O-N 2.93Å; R70-P73 PolarHBondContact NH2-O 2.95Å; R70-W74 HydrophobicContact CB-CZ2 4.39Å; R70-W74 HydrophobicContact CG-CZ2 4.48Å; R70-W74 VanDerWaalsContact NH1-CE3 3.32Å; R70-E78 IonicContact CZ-OE2 3.53Å; R70-E78 IonicContact NH1-OE2 3.48Å; R70-E78 IonicContact NH2-OE1 2.74Å; R70-E78 PolarHBondContact NH2-OE1 3.05Å; R70-E78 IonicContact NH2-OE2 3.41Å; R70-E78 PolarHBondContact NH2-OE2 2.92Å; R70-E182 WeakPolarHBondContact CD-OE1 3.41Å
71K86Confident92.7Very high218 Ų21846.6 Ų46.695%0.94822%0.215SC*.SBendtrans-64.5-27.4-174.1-64.1-174.9177.7-176.50115.3K69K69-K71 PolarHBondContact O-N 3.3Å
72R88.8Confident92.8Very high118 Ų11846.6 Ų46.645%0.44522%0.215SC..SBendtrans-115.2144.717970.8177.1179.196.50.5109.7R70 E78R70-R72 VanDerWaalsContact C-N 3.31Å; R70-R72 PolarHBondContact NE-O 3.08Å; R70-R72 VanDerWaalsContact NH2-NH2 3.17Å; R70-R72 PolarHBondContact O-N 2.93Å; R72-E78 IonicContact CZ-OE1 2.66Å; R72-E78 VanDerWaalsContact CZ-OE1 3.26Å; R72-E78 IonicContact NH1-OE1 2.67Å; R72-E78 PolarHBondContact NH1-OE1 3.12Å; R72-E78 IonicContact NH1-OE2 2.64Å; R72-E78 IonicContact NH2-OE1 3.11Å; R72-E78 PolarHBondContact NH2-OE1 2.94Å
73P87.3Confident92.8Very high90 Ų9046.6 Ų46.658%0.58422%0.215SC*.PPolyproline II helixtrans-58.7153.6179.124.7-34.1000111.5R70R70-P73 PolarHBondContact NH2-O 2.95Å
74W91.2Very high92.8Very high33 Ų3346.5 Ų46.513%0.12522%0.215CC..PPolyproline II helixtrans-73.1127.6174.8-70.786.7000109.6L67 R70 E78 F114 T144 E182L67-W74 HydrophobicContact CB-CZ2 4.17Å; L67-W74 HydrophobicContact CD2-CH2 3.6Å; L67-W74 HydrophobicContact CD2-CZ2 3.2Å; L67-W74 HydrophobicContact CG-CZ2 4.24Å; L67-W74 PolarHBondContact O-NE1 3.27Å; R70-W74 HydrophobicContact CB-CZ2 4.39Å; R70-W74 HydrophobicContact CG-CZ2 4.48Å; R70-W74 VanDerWaalsContact NH1-CE3 3.32Å; W74-E78 HydrophobicContact CE3-CB 3.82Å; W74-E78 HydrophobicContact CZ3-CB 4.21Å; W74-F114 AromaticContact CD1-CE1 3.42Å; W74-F114 VanDerWaalsContact CD1-CE1 3.42Å; W74-F114 HydrophobicContact CG-CE1 4.4Å; W74-F114 AromaticContact NE1-CE1 3.73Å; W74-T144 HydrophobicContact CB-CG2 4.08Å; W74-T144 HydrophobicContact CD2-CG2 3.59Å; W74-T144 HydrophobicContact CE3-CG2 3.97Å; W74-T144 HydrophobicContact CG-CG2 3.61Å; W74-E182 HydrophobicContact CH2-CG 4.16Å
75Q90.3Very high92.7Very high110 Ų11046.5 Ų46.551%0.51422%0.215SC..PPolyproline II helixtrans-79.1155.5173.3-59.1179.4-6.500110Y77 E78Q75-Y77 PolarHBondContact O-N 3.11Å; Q75-E78 HydrophobicContact CB-CG 3.95Å; Q75-E78 PolarHBondContact N-OE2 2.8Å; Q75-E78 PolarHBondContact O-N 3.33Å
76T85.4Confident92.4Very high79 Ų7946 Ų4649%0.48521%0.213SC..THydrogen-bonded Turntrans-46.2-45.8-175.5-48.50000113.2G142 S143T76-G142 WeakPolarHBondContact O-CA 3.06Å; T76-S143 PolarHBondContact O-N 3.21Å
77Y88.2Confident91.9Very high100 Ų10046.2 Ų46.239%0.39221%0.214SC..THydrogen-bonded Turntrans-94.37.2-175.6-55.9-58000114.8Q75 F138 K139 G177Q75-Y77 PolarHBondContact O-N 3.11Å; Y77-F138 HydrophobicContact CD1-CE1 4.06Å; Y77-K139 VanDerWaalsContact CE1-O 3.26Å; Y77-K139 WeakPolarHBondContact CE1-O 3.26Å; Y77-K139 PolarHBondContact OH-O 3.46Å; Y77-G177 WeakPolarHBondContact O-CA 3.18Å
78E93.6Very high91.4Very high14 Ų1447 Ų477%0.06522%0.22CC..  trans-88.7120178.5-69.1178.1146.700111R70 R72 W74 Q75 S180R70-E78 IonicContact CZ-OE2 3.53Å; R70-E78 IonicContact NH1-OE2 3.48Å; R70-E78 IonicContact NH2-OE1 2.74Å; R70-E78 PolarHBondContact NH2-OE1 3.05Å; R70-E78 IonicContact NH2-OE2 3.41Å; R70-E78 PolarHBondContact NH2-OE2 2.92Å; R72-E78 IonicContact CZ-OE1 2.66Å; R72-E78 VanDerWaalsContact CZ-OE1 3.26Å; R72-E78 IonicContact NH1-OE1 2.67Å; R72-E78 PolarHBondContact NH1-OE1 3.12Å; R72-E78 IonicContact NH1-OE2 2.64Å; R72-E78 IonicContact NH2-OE1 3.11Å; R72-E78 PolarHBondContact NH2-OE1 2.94Å; W74-E78 HydrophobicContact CE3-CB 3.82Å; W74-E78 HydrophobicContact CZ3-CB 4.21Å; Q75-E78 HydrophobicContact CB-CG 3.95Å; Q75-E78 PolarHBondContact N-OE2 2.8Å; Q75-E78 PolarHBondContact O-N 3.33Å; E78-S180 WeakPolarHBondContact CG-OG 2.96Å
79I96.1Very high90.9Very high0 Ų046 Ų460%021%0.214CC..  trans-95109.9175.6-57.6165.9000107.3A81 F138 S143 L146 I174 G177 L178 S180 M181I79-A81 WeakPolarHBondContact CG2-O 3.46Å; I79-F138 HydrophobicContact CD1-CE2 3.7Å; I79-F138 HydrophobicContact CD1-CZ 3.81Å; I79-F138 HydrophobicContact CG1-CE2 3.82Å; I79-F138 HydrophobicContact CG1-CZ 3.95Å; I79-S143 WeakPolarHBondContact CA-O 3.47Å; I79-S143 WeakPolarHBondContact CG1-O 3.4Å; I79-L146 HydrophobicContact CD1-CD2 4.17Å; I79-L146 HydrophobicContact CG2-CB 3.98Å; I79-I174 HydrophobicContact CD1-CG2 4.29Å; I79-G177 PolarHBondContact N-O 3.48Å; I79-G177 VanDerWaalsContact N-O 3.12Å; I79-L178 HydrophobicContact CD1-CD2 3.8Å; I79-L178 HydrophobicContact CD1-CG 4.01Å; I79-L178 HydrophobicContact CG2-CD2 4.37Å; I79-S180 CarbonylContact O-C 3.5Å; I79-S180 VanDerWaalsContact O-C 3.28Å; I79-M181 WeakPolarHBondContact O-CA 3.37Å; I79-M181 PolarHBondContact O-N 2.92Å; I79-M181 VanDerWaalsContact O-N 3.11Å
80G96Very high90.7Very high0 Ų040.2 Ų40.20%019%0.189CC..  trans-85.4-32.2179.500000114T144 E182 V183G80-T144 PolarHBondContact N-O 2.96Å; G80-E182 PolarHBondContact O-N 2.85Å; G80-V183 PolarHBondContact O-N 3.24Å; G80-V183 VanDerWaalsContact O-N 3.1Å
81A98.3Very high90.8Very high0 Ų038.4 Ų38.40%018%0.182CC..EExtended strand (participates in β ladder)trans-136.3142.1176.100000112.8V63 L67 I79 T144 I145 L146 V183V63-A81 HydrophobicContact CG1-CB 3.42Å; V63-A81 VanDerWaalsContact CG1-CB 3.42Å; V63-A81 HydrophobicContact CG2-CB 4.44Å; L67-A81 HydrophobicContact CD1-CB 4.05Å; I79-A81 WeakPolarHBondContact CG2-O 3.46Å; A81-T144 PolarHBondContact N-O 3.45Å; A81-T144 VanDerWaalsContact N-O 3.13Å; A81-I145 HydrophobicContact CB-CG1 4.38Å; A81-I145 HydrophobicContact CB-CG2 4.3Å; A81-L146 PolarHBondContact O-N 2.86Å; A81-V183 CarbonylContact C-O 3.58Å; A81-V183 VanDerWaalsContact CA-O 3.24Å; A81-V183 WeakPolarHBondContact CA-O 3.23Å; A81-V183 HydrophobicContact CB-CB 4.19Å
82L98.3Very high90.9Very high0 Ų029.3 Ų29.30%014%0.144CC..EExtended strand (participates in β ladder)trans-122125.2171.9172.562.6000109.9L84 L146 A148 L153 L178 M181 V183 L184 I185 I204L82-L84 HydrophobicContact CD1-CD2 3.84Å; L82-L84 HydrophobicContact CD1-CG 4.41Å; L82-L84 HydrophobicContact CD2-CD1 4.48Å; L82-L84 HydrophobicContact CD2-CD2 4.09Å; L82-L84 HydrophobicContact CD2-CG 4.18Å; L82-L84 HydrophobicContact CG-CD2 4.04Å; L82-L84 HydrophobicContact CG-CG 4.09Å; L82-L146 CarbonylContact C-O 3.48Å; L82-L146 WeakPolarHBondContact CA-O 3.4Å; L82-L146 HydrophobicContact CD1-CB 4.16Å; L82-L146 HydrophobicContact CD1-CD2 4.15Å; L82-L146 HydrophobicContact CD1-CG 4.08Å; L82-L146 WeakPolarHBondContact CD1-O 3.44Å; L82-A148 HydrophobicContact CD1-CB 4.42Å; L82-L153 HydrophobicContact CD1-CD2 3.75Å; L82-L153 HydrophobicContact CD2-CD2 3.68Å; L82-L153 HydrophobicContact CG-CD2 4.38Å; L82-L178 HydrophobicContact CD2-CD2 4.35Å; L82-M181 HydrophobicContact CB-CE 3.26Å; L82-M181 HydrophobicContact CB-SD 3.86Å; L82-M181 HydrophobicContact CD2-CE 3.78Å; L82-M181 HydrophobicContact CG-CE 4.15Å; L82-V183 PolarHBondContact N-O 2.95Å; L82-L184 HydrophobicContact CB-CD1 4.17Å; L82-L184 HydrophobicContact CD2-CD1 3.94Å; L82-L184 HydrophobicContact CG-CD1 4.02Å; L82-L184 CarbonylContact O-C 3.41Å; L82-L184 WeakPolarHBondContact O-CA 3.37Å; L82-I185 PolarHBondContact O-N 3.46Å; L82-I204 HydrophobicContact CD2-CG2 3.95Å
83I98.4Very high90.9Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-112.3111.8173.7-53.7171000108.3F59 I94 V98 I145 L146 V147 A148 I185F59-I83 HydrophobicContact CD2-CD1 4.32Å; F59-I83 HydrophobicContact CE2-CD1 4.14Å; F59-I83 HydrophobicContact CE2-CG2 4.03Å; F59-I83 HydrophobicContact CZ-CG2 4.49Å; I83-I94 HydrophobicContact CD1-CG2 3.93Å; I83-I94 HydrophobicContact CG2-CD1 4.2Å; I83-I94 HydrophobicContact CG2-CG2 4.11Å; I83-V98 HydrophobicContact CD1-CG2 4.12Å; I83-I145 HydrophobicContact CD1-CG2 4.37Å; I83-L146 PolarHBondContact N-O 3.02Å; I83-V147 HydrophobicContact CB-CG1 4.38Å; I83-V147 HydrophobicContact CB-CG2 4.37Å; I83-V147 HydrophobicContact CD1-CG2 4.33Å; I83-V147 CarbonylContact O-C 3.59Å; I83-V147 WeakPolarHBondContact O-CA 3.39Å; I83-A148 PolarHBondContact O-N 2.96Å; I83-I185 HydrophobicContact CB-CB 4.32Å; I83-I185 HydrophobicContact CG1-CB 4.02Å; I83-I185 HydrophobicContact CG1-CG1 4.17Å; I83-I185 HydrophobicContact CG2-CB 4.09Å; I83-I185 HydrophobicContact CG2-CG2 4.1Å
84L97.2Very high91.2Very high0 Ų020.1 Ų20.10%010%0.099CC..EExtended strand (participates in β ladder)trans-94128.6175.1-64.7-176.4000110.5L82 A148 L153 I185 L186 D187 I201 I204L82-L84 HydrophobicContact CD1-CD2 3.84Å; L82-L84 HydrophobicContact CD1-CG 4.41Å; L82-L84 HydrophobicContact CD2-CD1 4.48Å; L82-L84 HydrophobicContact CD2-CD2 4.09Å; L82-L84 HydrophobicContact CD2-CG 4.18Å; L82-L84 HydrophobicContact CG-CD2 4.04Å; L82-L84 HydrophobicContact CG-CG 4.09Å; L84-A148 WeakPolarHBondContact CA-O 3.49Å; L84-A148 HydrophobicContact CD2-CB 4.2Å; L84-L153 HydrophobicContact CD2-CD2 3.95Å; L84-I185 PolarHBondContact N-O 3.17Å; L84-L186 HydrophobicContact CB-CD2 3.92Å; L84-L186 HydrophobicContact CD1-CD2 3.73Å; L84-L186 HydrophobicContact CG-CD2 4.19Å; L84-D187 PolarHBondContact O-N 3.48Å; L84-I201 HydrophobicContact CD1-CG1 4.5Å; L84-I204 HydrophobicContact CD1-CD1 4.19Å; L84-I204 HydrophobicContact CD1-CG2 4.45Å; L84-I204 HydrophobicContact CD2-CD1 4.49Å
85S93.2Very high91.4Very high0 Ų021.9 Ų21.90%011%0.106CC..  trans-131.7142.4-179.8-176.50000110.5T87 L90 A148 T149 P150S85-T87 PolarHBondContact O-N 2.95Å; S85-L90 WeakPolarHBondContact OG-CB 3.26Å; S85-L90 VanDerWaalsContact OG-CD2 3.23Å; S85-L90 WeakPolarHBondContact OG-CD2 3.39Å; S85-L90 WeakPolarHBondContact OG-CG 3.37Å; S85-A148 PolarHBondContact N-O 2.85Å; S85-T149 WeakPolarHBondContact O-CA 3.46Å; S85-T149 WeakPolarHBondContact O-CG2 3.47Å; S85-P150 WeakPolarHBondContact O-CD 3.37Å
86P88.6Confident91.5Very high4 Ų420.4 Ų20.43%0.02610%0.099CC..SBendtrans-69.8-31.1-172.325.3-37000114.4L90 D187 E188 R191 L192 M195P86-L90 HydrophobicContact CG-CD2 4.43Å; P86-D187 VanDerWaalsContact CD-O 3.29Å; P86-D187 WeakPolarHBondContact CD-O 3.37Å; P86-E188 HydrophobicContact CG-CB 3.76Å; P86-E188 HydrophobicContact CG-CG 4.5Å; P86-R191 HydrophobicContact CB-CB 4.2Å; P86-R191 HydrophobicContact CB-CG 3.74Å; P86-R191 HydrophobicContact CG-CB 4.03Å; P86-R191 HydrophobicContact CG-CG 3.82Å; P86-L192 HydrophobicContact CB-CD2 3.84Å; P86-L192 HydrophobicContact CB-CG 4.21Å; P86-M195 HydrophobicContact CB-SD 3.92Å
87T85.3Confident91.9Very high10 Ų1018.3 Ų18.36%0.0618%0.084CC..SBendtrans-117.5152.4-174.469.30000111.7S85 E89 L90 A91 V353S85-T87 PolarHBondContact O-N 2.95Å; T87-E89 VanDerWaalsContact C-N 3.3Å; T87-E89 PolarHBondContact O-N 3.1Å; T87-L90 VanDerWaalsContact OG1-CB 3.23Å; T87-L90 WeakPolarHBondContact OG1-CB 3.39Å; T87-L90 PolarHBondContact OG1-N 2.8Å; T87-A91 WeakPolarHBondContact O-CB 3.4Å; T87-A91 PolarHBondContact O-N 3.38Å; T87-A91 VanDerWaalsContact O-N 3.07Å; T87-V353 HydrophobicContact CG2-CG2 4.37Å
88C84.3Confident92.4Very high19 Ų1913.6 Ų13.613%0.1287%0.066CC..Hα-helixtrans-66-39.1179.6-610000110.5A91 N92 T120C88-A91 PolarHBondContact O-N 3.4Å; C88-N92 PolarHBondContact O-N 3.13Å; C88-N92 PolarHBondContact O-ND2 3.47Å; C88-T120 HydrophobicContact CB-CG2 4.25Å
89E83.3Confident92.5Very high9 Ų914.8 Ų14.84%0.0428%0.075CC..Hα-helixtrans-62.3-46.4179.1-67.873.4-164.900111.7T87 N92 Q93 R333 M354 I358T87-E89 VanDerWaalsContact C-N 3.3Å; T87-E89 PolarHBondContact O-N 3.1Å; E89-N92 PolarHBondContact O-N 2.78Å; E89-Q93 PolarHBondContact O-N 2.96Å; E89-R333 VanDerWaalsContact CD-NH2 3.28Å; E89-R333 IonicContact OE1-CZ 3.66Å; E89-R333 IonicContact OE1-NE 2.93Å; E89-R333 PolarHBondContact OE1-NE 2.96Å; E89-R333 IonicContact OE1-NH2 2.83Å; E89-R333 PolarHBondContact OE1-NH2 3.36Å; E89-R333 IonicContact OE2-NH2 3.36Å; E89-R333 PolarHBondContact OE2-NH2 3.06Å; E89-R333 VanDerWaalsContact OE2-NH2 3.16Å; E89-M354 HydrophobicContact CG-SD 4.28Å; E89-I358 HydrophobicContact CB-CD1 3.37Å; E89-I358 HydrophobicContact CB-CG1 3.81Å; E89-I358 HydrophobicContact CG-CD1 3.94Å
90L86.7Confident92.5Very high2 Ų216.9 Ų16.91%0.019%0.085CC..Hα-helixtrans-66.5-42.6178.3-175.455.2000111.7S85 P86 T87 N92 Q93 I94 D187 E188 G357S85-L90 WeakPolarHBondContact OG-CB 3.26Å; S85-L90 VanDerWaalsContact OG-CD2 3.23Å; S85-L90 WeakPolarHBondContact OG-CD2 3.39Å; S85-L90 WeakPolarHBondContact OG-CG 3.37Å; P86-L90 HydrophobicContact CG-CD2 4.43Å; T87-L90 VanDerWaalsContact OG1-CB 3.23Å; T87-L90 WeakPolarHBondContact OG1-CB 3.39Å; T87-L90 PolarHBondContact OG1-N 2.8Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 2.8Å; L90-Q93 PolarHBondContact O-N 3.15Å; L90-I94 HydrophobicContact CD1-CD1 4.37Å; L90-I94 HydrophobicContact CD1-CG1 4.45Å; L90-I94 HydrophobicContact CG-CD1 4.1Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.03Å; L90-D187 WeakPolarHBondContact CD2-OD2 3.18Å; L90-E188 HydrophobicContact CD2-CG 3.69Å; L90-G357 VanDerWaalsContact CD1-C 3.47Å; L90-G357 WeakPolarHBondContact CD1-O 3.4Å
91A90.5Very high92.5Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-58.3-43.2173.900000112.5T87 C88 I94 Y95 V118 T120 V147 T149T87-A91 WeakPolarHBondContact O-CB 3.4Å; T87-A91 PolarHBondContact O-N 3.38Å; T87-A91 VanDerWaalsContact O-N 3.07Å; C88-A91 PolarHBondContact O-N 3.4Å; A91-I94 PolarHBondContact O-N 2.9Å; A91-Y95 WeakPolarHBondContact O-CB 3.3Å; A91-Y95 PolarHBondContact O-N 3.39Å; A91-V118 HydrophobicContact CB-CG2 4.35Å; A91-T120 HydrophobicContact CB-CG2 3.53Å; A91-V147 HydrophobicContact CB-CG1 4.04Å; A91-V147 WeakPolarHBondContact O-CG1 3.32Å; A91-T149 HydrophobicContact CB-CG2 4.42Å
92N88.9Confident92.4Very high27 Ų2717.5 Ų17.514%0.1449%0.089CC..Hα-helixtrans-66.9-38.7176.6-76.3-66.8000111.9C88 E89 L90 Y95 E96 F334C88-N92 PolarHBondContact O-N 3.13Å; C88-N92 PolarHBondContact O-ND2 3.47Å; E89-N92 PolarHBondContact O-N 2.78Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 2.8Å; N92-Y95 WeakPolarHBondContact O-CB 3.32Å; N92-Y95 PolarHBondContact O-N 3.19Å; N92-E96 WeakPolarHBondContact O-CG 3.42Å; N92-E96 PolarHBondContact O-N 3.37Å; N92-F334 HydrophobicContact CB-CD2 4.29Å; N92-F334 HydrophobicContact CB-CE2 4.01Å
93Q88.5Confident92.2Very high16 Ų1624.3 Ų24.38%0.07512%0.118CC..Hα-helixtrans-62.7-43.6175.1-177.7-177.5-47.900112E89 L90 Y95 E96 I97 D359E89-Q93 PolarHBondContact O-N 2.96Å; L90-Q93 PolarHBondContact O-N 3.15Å; Q93-Y95 VanDerWaalsContact C-N 3.33Å; Q93-E96 PolarHBondContact O-N 3.46Å; Q93-I97 HydrophobicContact CG-CD1 4.42Å; Q93-I97 WeakPolarHBondContact O-CG1 3.27Å; Q93-I97 PolarHBondContact O-N 3.2Å; Q93-I97 VanDerWaalsContact O-N 3.14Å; Q93-D359 VanDerWaalsContact NE2-CB 3.33Å
94I93Very high92Very high0 Ų027.1 Ų27.10%013%0.129CC..Hα-helixtrans-63.6-42.5174.9-65.5164.7000110.1T56 F59 I83 L90 A91 E96 I97 V98 V147 D187T56-I94 HydrophobicContact CG2-CG1 4.13Å; F59-I94 HydrophobicContact CE2-CG2 4.2Å; F59-I94 HydrophobicContact CZ-CD1 4.11Å; F59-I94 HydrophobicContact CZ-CG1 4.4Å; I83-I94 HydrophobicContact CD1-CG2 3.93Å; I83-I94 HydrophobicContact CG2-CD1 4.2Å; I83-I94 HydrophobicContact CG2-CG2 4.11Å; L90-I94 HydrophobicContact CD1-CD1 4.37Å; L90-I94 HydrophobicContact CD1-CG1 4.45Å; L90-I94 HydrophobicContact CG-CD1 4.1Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 3.03Å; A91-I94 PolarHBondContact O-N 2.9Å; I94-E96 PolarHBondContact O-N 3.12Å; I94-I97 PolarHBondContact O-N 3.26Å; I94-V98 HydrophobicContact CG2-CG2 4.15Å; I94-V98 WeakPolarHBondContact O-CG2 3.32Å; I94-V98 PolarHBondContact O-N 3.13Å; I94-V147 HydrophobicContact CB-CG1 4.11Å; I94-V147 HydrophobicContact CG2-CG1 4.04Å; I94-V147 HydrophobicContact CG2-CG2 4.09Å; I94-D187 HydrophobicContact CD1-CB 4.43Å; I94-D187 WeakPolarHBondContact CD1-OD2 3.35Å
95Y94.9Very high91.8Very high70 Ų7027.1 Ų27.128%0.27513%0.129SC..Hα-helixtrans-60.4-41.1176.4170.1-99.3000112.7A91 N92 Q93 I97 V98 S99 A116 V118A91-Y95 WeakPolarHBondContact O-CB 3.3Å; A91-Y95 PolarHBondContact O-N 3.39Å; N92-Y95 WeakPolarHBondContact O-CB 3.32Å; N92-Y95 PolarHBondContact O-N 3.19Å; Q93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-I97 VanDerWaalsContact C-N 3.34Å; Y95-I97 PolarHBondContact O-N 3.05Å; Y95-V98 PolarHBondContact O-N 2.9Å; Y95-S99 WeakPolarHBondContact CE2-OG 3.47Å; Y95-S99 VanDerWaalsContact O-CB 3.25Å; Y95-S99 WeakPolarHBondContact O-CB 3.5Å; Y95-S99 PolarHBondContact O-N 3.35Å; Y95-S99 PolarHBondContact O-OG 3.16Å; Y95-A116 HydrophobicContact CD2-CB 4.05Å; Y95-A116 HydrophobicContact CE2-CB 3.8Å; Y95-V118 HydrophobicContact CD1-CB 4.23Å; Y95-V118 HydrophobicContact CD1-CG1 3.73Å; Y95-V118 HydrophobicContact CD2-CB 3.72Å; Y95-V118 HydrophobicContact CD2-CG1 3.92Å; Y95-V118 HydrophobicContact CE1-CG1 4.04Å; Y95-V118 HydrophobicContact CE2-CB 4.36Å; Y95-V118 HydrophobicContact CE2-CG1 4.2Å; Y95-V118 HydrophobicContact CG-CB 3.63Å; Y95-V118 HydrophobicContact CG-CG1 3.67Å; Y95-V118 HydrophobicContact CG-CG2 4.4Å
96E92.6Very high91.8Very high78 Ų7829.2 Ų29.236%0.36414%0.14SC..Hα-helixtrans-59.2-45.3173.7-74.8175.1-179.700111.1N92 Q93 I94 S99 H100 F334 K341N92-E96 WeakPolarHBondContact O-CG 3.42Å; N92-E96 PolarHBondContact O-N 3.37Å; Q93-E96 PolarHBondContact O-N 3.46Å; I94-E96 PolarHBondContact O-N 3.12Å; E96-S99 PolarHBondContact O-N 3.28Å; E96-H100 WeakPolarHBondContact O-CB 3.2Å; E96-H100 PolarHBondContact O-N 2.98Å; E96-F334 WeakPolarHBondContact OE1-CZ 3.44Å; E96-K341 IonicContact OE2-NZ 3.49Å
97I94.4Very high91.9Very high35 Ų3533 Ų3318%0.17917%0.171CC..Hα-helixtrans-64.1-50.3177.6-64.9164.4000110.3T56 L57 V60 Q93 I94 Y95 S99 H100 F101T56-I97 HydrophobicContact CG2-CD1 3.62Å; L57-I97 HydrophobicContact CD2-CG2 3.98Å; V60-I97 HydrophobicContact CG1-CG2 4.35Å; V60-I97 HydrophobicContact CG2-CG2 4.46Å; Q93-I97 HydrophobicContact CG-CD1 4.42Å; Q93-I97 WeakPolarHBondContact O-CG1 3.27Å; Q93-I97 PolarHBondContact O-N 3.2Å; Q93-I97 VanDerWaalsContact O-N 3.14Å; I94-I97 PolarHBondContact O-N 3.26Å; Y95-I97 VanDerWaalsContact C-N 3.34Å; Y95-I97 PolarHBondContact O-N 3.05Å; I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 3.23Å; I97-H100 WeakPolarHBondContact O-CB 3.46Å; I97-H100 PolarHBondContact O-N 3.41Å; I97-H100 VanDerWaalsContact O-N 3.17Å; I97-F101 HydrophobicContact CG2-CD2 4.02Å; I97-F101 HydrophobicContact CG2-CE2 3.96Å; I97-F101 WeakPolarHBondContact O-CD2 3.28Å; I97-F101 PolarHBondContact O-N 2.95Å
98V97.4Very high92Very high1 Ų134.5 Ų34.51%0.00618%0.181CC..Hα-helixtrans-57.7-44.3177.7169.60000111.1V60 I83 I94 Y95 H100 F101 I102 A116 I145V60-V98 HydrophobicContact CG1-CG2 4.15Å; V60-V98 HydrophobicContact CG2-CG2 3.98Å; I83-V98 HydrophobicContact CD1-CG2 4.12Å; I94-V98 HydrophobicContact CG2-CG2 4.15Å; I94-V98 WeakPolarHBondContact O-CG2 3.32Å; I94-V98 PolarHBondContact O-N 3.13Å; Y95-V98 PolarHBondContact O-N 2.9Å; V98-H100 VanDerWaalsContact C-N 3.32Å; V98-H100 PolarHBondContact O-N 3.39Å; V98-F101 PolarHBondContact O-N 2.93Å; V98-I102 HydrophobicContact CG1-CD1 3.79Å; V98-I102 HydrophobicContact CG1-CG1 4.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 3.07Å; V98-A116 HydrophobicContact CG1-CB 3.86Å; V98-I145 HydrophobicContact CG1-CB 4.12Å; V98-I145 HydrophobicContact CG1-CD1 3.92Å; V98-I145 HydrophobicContact CG1-CG2 3.85Å
99S96.1Very high91.8Very high39 Ų3935 Ų3527%0.27319%0.185SC..Hα-helixtrans-63.2-38.9178.8-59.10000112Y95 E96 I97 I102 K103Y95-S99 WeakPolarHBondContact CE2-OG 3.47Å; Y95-S99 VanDerWaalsContact O-CB 3.25Å; Y95-S99 WeakPolarHBondContact O-CB 3.5Å; Y95-S99 PolarHBondContact O-N 3.35Å; Y95-S99 PolarHBondContact O-OG 3.16Å; E96-S99 PolarHBondContact O-N 3.28Å; I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 3.23Å; S99-I102 PolarHBondContact O-N 3.23Å; S99-K103 PolarHBondContact O-N 2.83Å
100H95.9Very high91.1Very high44 Ų4442.5 Ų42.520%0.20423%0.225CC..Hα-helixtrans-58.5-50.9172.9175.386.4000110.9A19 L23 E96 I97 V98 I102 K103 Y104A19-H100 PolarHBondContact O-NE2 3.12Å; L23-H100 WeakPolarHBondContact CG-NE2 3.48Å; E96-H100 WeakPolarHBondContact O-CB 3.2Å; E96-H100 PolarHBondContact O-N 2.98Å; I97-H100 WeakPolarHBondContact O-CB 3.46Å; I97-H100 PolarHBondContact O-N 3.41Å; I97-H100 VanDerWaalsContact O-N 3.17Å; V98-H100 VanDerWaalsContact C-N 3.32Å; V98-H100 PolarHBondContact O-N 3.39Å; H100-I102 PolarHBondContact O-N 3.36Å; H100-K103 WeakPolarHBondContact O-CB 3.47Å; H100-K103 PolarHBondContact O-N 3.33Å; H100-Y104 AromaticContact CE1-CE2 3.44Å; H100-Y104 VanDerWaalsContact CE1-CE2 3.44Å; H100-Y104 WeakPolarHBondContact CE1-CE2 3.26Å; H100-Y104 AromaticContact ND1-CE2 3.95Å; H100-Y104 AromaticContact NE2-CE2 3.62Å; H100-Y104 VanDerWaalsContact O-CD2 3.29Å; H100-Y104 WeakPolarHBondContact O-CD2 3.49Å
101F96.9Very high90.4Very high0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-63.5-43.1178.9-85.2-98.7000113.1I16 A19 I20 L23 L57 V60 I61 L64 I97 V98 K103 Y104 V105I16-F101 HydrophobicContact CG2-CD1 4.28Å; I16-F101 HydrophobicContact CG2-CE1 3.91Å; A19-F101 HydrophobicContact CB-CB 4.39Å; A19-F101 HydrophobicContact CB-CD1 3.49Å; A19-F101 VanDerWaalsContact CB-CD1 3.49Å; A19-F101 HydrophobicContact CB-CD2 4.39Å; A19-F101 HydrophobicContact CB-CE1 3.75Å; A19-F101 HydrophobicContact CB-CG 3.85Å; A19-F101 HydrophobicContact CB-CZ 4.32Å; I20-F101 HydrophobicContact CD1-CE1 4.48Å; I20-F101 HydrophobicContact CG1-CE1 3.76Å; I20-F101 HydrophobicContact CG1-CZ 3.74Å; L23-F101 HydrophobicContact CD1-CD2 4.49Å; L23-F101 HydrophobicContact CD1-CE2 3.66Å; L23-F101 HydrophobicContact CD1-CZ 4.26Å; L57-F101 HydrophobicContact CD2-CE2 3.66Å; L57-F101 HydrophobicContact CD2-CZ 3.84Å; V60-F101 HydrophobicContact CG1-CD2 4.21Å; V60-F101 HydrophobicContact CG1-CG 4.42Å; I61-F101 HydrophobicContact CG1-CE1 4.07Å; I61-F101 HydrophobicContact CG1-CZ 4.21Å; L64-F101 HydrophobicContact CD1-CB 3.35Å; L64-F101 HydrophobicContact CD1-CD1 3.63Å; L64-F101 HydrophobicContact CD1-CG 3.66Å; I97-F101 HydrophobicContact CG2-CD2 4.02Å; I97-F101 HydrophobicContact CG2-CE2 3.96Å; I97-F101 WeakPolarHBondContact O-CD2 3.28Å; I97-F101 PolarHBondContact O-N 2.95Å; V98-F101 PolarHBondContact O-N 2.93Å; F101-K103 PolarHBondContact O-N 3.35Å; F101-Y104 PolarHBondContact O-N 3.2Å; F101-Y104 VanDerWaalsContact O-N 3.12Å; F101-V105 WeakPolarHBondContact O-CG2 3.47Å; F101-V105 PolarHBondContact O-N 3.48Å
102I95.2Very high89.6Confident14 Ų1450.7 Ų50.77%0.07227%0.271CS..Hα-helixtrans-54.6-40.1178.1-76.9176.5000111.3L64 V98 S99 H100 Y104 V105 N106 F114 A116 I145L64-I102 HydrophobicContact CD2-CG1 4.25Å; V98-I102 HydrophobicContact CG1-CD1 3.79Å; V98-I102 HydrophobicContact CG1-CG1 4.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 3.07Å; S99-I102 PolarHBondContact O-N 3.23Å; H100-I102 PolarHBondContact O-N 3.36Å; I102-Y104 VanDerWaalsContact C-N 3.33Å; I102-Y104 PolarHBondContact O-N 2.9Å; I102-V105 PolarHBondContact O-N 3.18Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.28Å; I102-N106 WeakPolarHBondContact O-CB 3.41Å; I102-N106 PolarHBondContact O-N 3.28Å; I102-F114 HydrophobicContact CD1-CB 4.16Å; I102-F114 HydrophobicContact CG1-CB 3.98Å; I102-F114 HydrophobicContact CG2-CB 4.11Å; I102-F114 WeakPolarHBondContact CG2-O 3.3Å; I102-A116 HydrophobicContact CD1-CB 3.57Å; I102-I145 HydrophobicContact CD1-CD1 4.28Å
103K94.5Very high89.4Confident142 Ų14255.8 Ų55.862%0.61730%0.298SS*.Hα-helixtrans-54.6-47178-177.9-171.5172.6-170.80112.1S99 H100 F101 A107S99-K103 PolarHBondContact O-N 2.83Å; H100-K103 WeakPolarHBondContact O-CB 3.47Å; H100-K103 PolarHBondContact O-N 3.33Å; F101-K103 PolarHBondContact O-N 3.35Å; K103-A107 VanDerWaalsContact O-CB 3.27Å; K103-A107 WeakPolarHBondContact O-CB 3.4Å; K103-A107 PolarHBondContact O-N 3.25Å
104Y94.8Very high89.6Confident60 Ų6055.2 Ų55.224%0.23530%0.295CS..Hα-helixtrans-78-36.1-178.7-68.3-93.4000112.4G15 K18 A19 A22 H100 F101 I102 A107 T108G15-Y104 WeakPolarHBondContact O-CB 3.31Å; K18-Y104 HydrophobicContact CB-CD1 3.78Å; K18-Y104 HydrophobicContact CB-CE1 4.41Å; K18-Y104 HydrophobicContact CB-CG 4.48Å; A19-Y104 HydrophobicContact CB-CD2 3.76Å; A19-Y104 HydrophobicContact CB-CG 3.96Å; A22-Y104 HydrophobicContact CB-CE1 4.15Å; A22-Y104 HydrophobicContact CB-CE2 4.13Å; A22-Y104 WeakPolarHBondContact CB-OH 3.3Å; H100-Y104 AromaticContact CE1-CE2 3.44Å; H100-Y104 VanDerWaalsContact CE1-CE2 3.44Å; H100-Y104 WeakPolarHBondContact CE1-CE2 3.26Å; H100-Y104 AromaticContact ND1-CE2 3.95Å; H100-Y104 AromaticContact NE2-CE2 3.62Å; H100-Y104 VanDerWaalsContact O-CD2 3.29Å; H100-Y104 WeakPolarHBondContact O-CD2 3.49Å; F101-Y104 PolarHBondContact O-N 3.2Å; F101-Y104 VanDerWaalsContact O-N 3.12Å; I102-Y104 VanDerWaalsContact C-N 3.33Å; I102-Y104 PolarHBondContact O-N 2.9Å; Y104-A107 PolarHBondContact O-N 2.97Å; Y104-T108 WeakPolarHBondContact O-CB 3.49Å; Y104-T108 PolarHBondContact O-N 2.79Å; Y104-T108 VanDerWaalsContact O-N 3.07Å; Y104-T108 PolarHBondContact O-OG1 3.07Å
105V93.3Very high89.6Confident0 Ų056.7 Ų56.70%031%0.306CS..Hα-helixtrans-61.9-49.3177.11690000110.8I16 L68 F101 I102 A107 T108 S109 F114I16-V105 HydrophobicContact CG1-CG2 3.98Å; L68-V105 HydrophobicContact CD1-CG1 3.93Å; L68-V105 HydrophobicContact CD1-CG2 4.42Å; L68-V105 HydrophobicContact CD2-CG1 3.61Å; L68-V105 HydrophobicContact CG-CG1 4.09Å; F101-V105 WeakPolarHBondContact O-CG2 3.47Å; F101-V105 PolarHBondContact O-N 3.48Å; I102-V105 PolarHBondContact O-N 3.18Å; V105-A107 VanDerWaalsContact C-N 3.34Å; V105-A107 PolarHBondContact O-N 2.83Å; V105-T108 PolarHBondContact O-N 3.4Å; V105-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 PolarHBondContact O-N 3.41Å; V105-S109 PolarHBondContact O-OG 3.15Å; V105-F114 HydrophobicContact CG1-CD2 4.04Å; V105-F114 HydrophobicContact CG1-CE2 4.06Å
106N92.2Very high89.6Confident44 Ų4454.1 Ų54.124%0.23530%0.299CS..Hα-helixtrans-67.3-33.2177.5-69.2-4.3000112.1I102 T108 C112 F114I102-N106 WeakPolarHBondContact CG2-ND2 3.28Å; I102-N106 WeakPolarHBondContact O-CB 3.41Å; I102-N106 PolarHBondContact O-N 3.28Å; N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.06Å; N106-C112 PolarHBondContact OD1-O 2.94Å; N106-F114 PolarHBondContact ND2-N 3.49Å; N106-F114 PolarHBondContact ND2-O 3.42Å; N106-F114 PolarHBondContact OD1-N 3.21Å
107A90.4Very high89.7Confident82 Ų8251.2 Ų51.268%0.67829%0.286SS*.Hα-helixtrans-71.4-22.2177.200000113.6K103 Y104 V105K103-A107 VanDerWaalsContact O-CB 3.27Å; K103-A107 WeakPolarHBondContact O-CB 3.4Å; K103-A107 PolarHBondContact O-N 3.25Å; Y104-A107 PolarHBondContact O-N 2.97Å; V105-A107 VanDerWaalsContact C-N 3.34Å; V105-A107 PolarHBondContact O-N 2.83Å
108T87.8Confident89.7Confident43 Ų4350.8 Ų50.826%0.26429%0.285SS..Hα-helixtrans-101.1-22.9-177.1-48.80000112.3E14 G15 Y104 V105 N106E14-T108 HydrophobicContact CB-CG2 4.02Å; E14-T108 HydrophobicContact CG-CG2 4.15Å; G15-T108 WeakPolarHBondContact CA-OG1 3.48Å; Y104-T108 WeakPolarHBondContact O-CB 3.49Å; Y104-T108 PolarHBondContact O-N 2.79Å; Y104-T108 VanDerWaalsContact O-N 3.07Å; Y104-T108 PolarHBondContact O-OG1 3.07Å; V105-T108 PolarHBondContact O-N 3.4Å; N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.06Å
109S80.3Confident89.4Confident30 Ų3050.8 Ų50.821%0.2129%0.285CS..  trans-113.6108-172.6-44.70000110.3V105 D111 C112V105-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 PolarHBondContact O-N 3.41Å; V105-S109 PolarHBondContact O-OG 3.15Å; S109-D111 PolarHBondContact O-N 3.12Å; S109-D111 VanDerWaalsContact O-N 3.16Å; S109-C112 PolarHBondContact O-N 3.01Å
110N69Low88.9Confident165 Ų16549.2 Ų49.288%0.88227%0.273SS*.THydrogen-bonded Turntrans-59.9-28.6-173.2-67.3-22.4000114.3
111D70.8Confident87.8Confident141 Ų14150.7 Ų50.775%0.75429%0.289SS*.THydrogen-bonded Turntrans-102.27.9-176.2-69-34.3000114.3S109S109-D111 PolarHBondContact O-N 3.12Å; S109-D111 VanDerWaalsContact O-N 3.16Å
112C74.4Confident85.9Confident33 Ų3351.2 Ų51.222%0.22329%0.293CS..  trans-112123.4-176.5-61.80000111.8L68 N106 S109 F114L68-C112 HydrophobicContact CD2-CB 4.38Å; L68-C112 VanDerWaalsContact CD2-SG 3.59Å; N106-C112 PolarHBondContact OD1-O 2.94Å; S109-C112 PolarHBondContact O-N 3.01Å; C112-F114 HydrophobicContact CB-CD1 4.36Å; C112-F114 HydrophobicContact CB-CE1 4.2Å
113N85Confident83.7Confident134 Ų13451.7 Ų51.772%0.71730%0.301SS*.  trans-122.569.5168.8-171.616.8000109.6
114F92.8Very high80.9Confident4 Ų454.7 Ų54.72%0.01831%0.308CS..  trans-68.3137.6176.4-70.12.6000109.6L64 L67 L68 W74 I102 V105 N106 C112 T144L64-F114 HydrophobicContact CD2-CD2 4.04Å; L64-F114 HydrophobicContact CD2-CE2 4.31Å; L67-F114 HydrophobicContact CB-CE1 4.43Å; L67-F114 HydrophobicContact CB-CE2 3.81Å; L67-F114 HydrophobicContact CB-CZ 3.61Å; L68-F114 HydrophobicContact CD2-CE2 4.09Å; L68-F114 HydrophobicContact CD2-CZ 3.81Å; L68-F114 HydrophobicContact CG-CE2 3.92Å; L68-F114 HydrophobicContact CG-CZ 3.87Å; W74-F114 AromaticContact CD1-CE1 3.42Å; W74-F114 VanDerWaalsContact CD1-CE1 3.42Å; W74-F114 HydrophobicContact CG-CE1 4.4Å; W74-F114 AromaticContact NE1-CE1 3.73Å; I102-F114 HydrophobicContact CD1-CB 4.16Å; I102-F114 HydrophobicContact CG1-CB 3.98Å; I102-F114 HydrophobicContact CG2-CB 4.11Å; I102-F114 WeakPolarHBondContact CG2-O 3.3Å; V105-F114 HydrophobicContact CG1-CD2 4.04Å; V105-F114 HydrophobicContact CG1-CE2 4.06Å; N106-F114 PolarHBondContact ND2-N 3.49Å; N106-F114 PolarHBondContact ND2-O 3.42Å; N106-F114 PolarHBondContact OD1-N 3.21Å; C112-F114 HydrophobicContact CB-CD1 4.36Å; C112-F114 HydrophobicContact CB-CE1 4.2Å; F114-T144 HydrophobicContact CD1-CG2 4.04Å; F114-T144 HydrophobicContact CE1-CG2 4.48Å; F114-T144 HydrophobicContact CG-CG2 4.34Å
115S93.2Very high78.2Confident32 Ų3252.5 Ų52.522%0.22430%0.302CS..  trans-125.9147.7171.762.90000110.1S143 T144 I145S115-S143 VanDerWaalsContact OG-CA 3.3Å; S115-S143 WeakPolarHBondContact OG-CA 3.4Å; S115-T144 PolarHBondContact N-OG1 3.48Å; S115-T144 WeakPolarHBondContact O-CA 3.34Å; S115-T144 WeakPolarHBondContact O-CB 3.35Å; S115-T144 PolarHBondContact O-N 2.79Å; S115-T144 PolarHBondContact OG-N 3.48Å; S115-I145 PolarHBondContact O-N 3.15Å
116A94.8Very high75.7Confident15 Ų1558.5 Ų58.512%0.12434%0.344CS..EExtended strand (participates in β ladder)trans-120.1147.8173.500000111.1Y95 V98 I102 I145Y95-A116 HydrophobicContact CD2-CB 4.05Å; Y95-A116 HydrophobicContact CE2-CB 3.8Å; V98-A116 HydrophobicContact CG1-CB 3.86Å; I102-A116 HydrophobicContact CD1-CB 3.57Å; A116-I145 WeakPolarHBondContact CA-O 3.13Å; A116-I145 HydrophobicContact CB-CB 4.47Å
117L94.5Very high73.5Confident18 Ų1859.3 Ų59.39%0.09436%0.363CS..EExtended strand (participates in β ladder)trans-131.7157.9167.7-72.4-178.9000110F119 F138 G142 S143 I145 L146 V147L117-F119 HydrophobicContact CB-CE1 4.15Å; L117-F119 HydrophobicContact CD1-CE1 4.17Å; L117-F119 HydrophobicContact CD1-CZ 4.33Å; L117-F138 HydrophobicContact CD1-CB 4.1Å; L117-F138 HydrophobicContact CD1-CD2 4.03Å; L117-G142 WeakPolarHBondContact CD1-O 2.86Å; L117-S143 PolarHBondContact N-OG 3.35Å; L117-S143 VanDerWaalsContact N-OG 3.17Å; L117-I145 PolarHBondContact N-O 3.4Å; L117-L146 HydrophobicContact CB-CD1 3.97Å; L117-V147 PolarHBondContact O-N 3.16Å
118V93.4Very high72Confident26 Ų2656 Ų5616%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-126.6119.1177.158.10000111.3A91 Y95 T120 V147A91-V118 HydrophobicContact CB-CG2 4.35Å; Y95-V118 HydrophobicContact CD1-CB 4.23Å; Y95-V118 HydrophobicContact CD1-CG1 3.73Å; Y95-V118 HydrophobicContact CD2-CB 3.72Å; Y95-V118 HydrophobicContact CD2-CG1 3.92Å; Y95-V118 HydrophobicContact CE1-CG1 4.04Å; Y95-V118 HydrophobicContact CE2-CB 4.36Å; Y95-V118 HydrophobicContact CE2-CG1 4.2Å; Y95-V118 HydrophobicContact CG-CB 3.63Å; Y95-V118 HydrophobicContact CG-CG1 3.67Å; Y95-V118 HydrophobicContact CG-CG2 4.4Å; V118-T120 HydrophobicContact CG2-CG2 3.61Å; V118-V147 CarbonylContact C-O 3.55Å; V118-V147 WeakPolarHBondContact CA-O 3.33Å; V118-V147 HydrophobicContact CG2-CB 4.48Å
119F91.6Very high71.1Confident1 Ų155.1 Ų55.10%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-107.6100.1179-64.9-16.8000110.6L117 D134 F138 L146 V147 A148 T149 R152 L153 L156 I174L117-F119 HydrophobicContact CB-CE1 4.15Å; L117-F119 HydrophobicContact CD1-CE1 4.17Å; L117-F119 HydrophobicContact CD1-CZ 4.33Å; F119-D134 HydrophobicContact CD1-CB 3.79Å; F119-D134 HydrophobicContact CE1-CB 3.89Å; F119-D134 HydrophobicContact CG-CB 4.49Å; F119-F138 HydrophobicContact CZ-CB 4.03Å; F119-F138 AromaticContact CZ-CD2 4Å; F119-F138 HydrophobicContact CZ-CD2 4Å; F119-F138 HydrophobicContact CZ-CG 4.35Å; F119-L146 HydrophobicContact CD1-CD1 4.2Å; F119-L146 HydrophobicContact CD2-CD1 3.59Å; F119-L146 HydrophobicContact CD2-CD2 3.84Å; F119-L146 HydrophobicContact CD2-CG 4.2Å; F119-L146 HydrophobicContact CE1-CD1 4.12Å; F119-L146 HydrophobicContact CE2-CD1 3.51Å; F119-L146 HydrophobicContact CE2-CD2 3.67Å; F119-L146 HydrophobicContact CE2-CG 4.22Å; F119-L146 HydrophobicContact CG-CD1 3.92Å; F119-L146 HydrophobicContact CZ-CD1 3.77Å; F119-V147 PolarHBondContact N-O 2.95Å; F119-A148 HydrophobicContact CB-CB 3.94Å; F119-A148 VanDerWaalsContact O-CA 3.28Å; F119-A148 WeakPolarHBondContact O-CA 3.33Å; F119-T149 PolarHBondContact O-N 2.82Å; F119-R152 HydrophobicContact CB-CG 3.94Å; F119-L153 HydrophobicContact CD2-CD1 4.16Å; F119-L156 HydrophobicContact CB-CD1 4.14Å; F119-L156 HydrophobicContact CD1-CD1 4.19Å; F119-L156 HydrophobicContact CD2-CD1 3.41Å; F119-L156 VanDerWaalsContact CD2-CD1 3.41Å; F119-L156 HydrophobicContact CE2-CD1 3.79Å; F119-L156 HydrophobicContact CG-CD1 3.66Å; F119-L156 HydrophobicContact CZ-CD1 4.34Å; F119-I174 HydrophobicContact CE2-CD1 4.06Å; F119-I174 HydrophobicContact CZ-CD1 4.47Å
120T85.8Confident70.9Confident5 Ų555.5 Ų55.53%0.03133%0.331CS..  trans-128.7151.6-17965.40000111.3C88 A91 V118 S122 T149 R152C88-T120 HydrophobicContact CB-CG2 4.25Å; A91-T120 HydrophobicContact CB-CG2 3.53Å; V118-T120 HydrophobicContact CG2-CG2 3.61Å; T120-S122 PolarHBondContact O-N 3.4Å; T120-T149 HydrophobicContact CG2-CG2 4.21Å; T120-R152 VanDerWaalsContact O-CZ 3.26Å; T120-R152 PolarHBondContact O-NH2 2.8Å
121S73.3Confident71.5Confident76 Ų7652.2 Ų52.253%0.53131%0.309SS..  trans-83.951.3172.9-167.90000111.8
122S57.2Low72Confident11 Ų1152.3 Ų52.38%0.07730%0.303CS..  trans-72.1131166.3-1730000108.2T120 A128T120-S122 PolarHBondContact O-N 3.4Å; S122-A128 VanDerWaalsContact CB-CB 3.49Å; S122-A128 WeakPolarHBondContact O-CB 3.26Å; S122-A128 VanDerWaalsContact OG-CB 3.29Å; S122-A128 WeakPolarHBondContact OG-CB 3.29Å
123G47.6Very low72.4Confident24 Ų2455 Ų5525%0.24731%0.312CS..  trans-69.4140.1172.400000110.3S125 A128 N330G123-S125 VanDerWaalsContact C-N 3.26Å; G123-S125 PolarHBondContact O-N 2.75Å; G123-A128 WeakPolarHBondContact O-CB 3.47Å; G123-N330 CarbonylContact C-O 3.55Å; G123-N330 WeakPolarHBondContact CA-O 3.49Å
124R36.6Very low72.6Confident204 Ų20448.8 Ų48.877%0.7728%0.279SS*.SBendtrans-19.549.9177.4-56.1178.565.21190.8120.3
125S37.3Very low72.2Confident15 Ų1550.1 Ų50.111%0.10529%0.285CS..SBendtrans-117.1123.2171.7-164.60000110.8G123 G127 A128 K332 D335G123-S125 VanDerWaalsContact C-N 3.26Å; G123-S125 PolarHBondContact O-N 2.75Å; S125-G127 PolarHBondContact O-N 3.18Å; S125-A128 WeakPolarHBondContact O-CB 3.34Å; S125-A128 PolarHBondContact O-N 2.92Å; S125-K332 WeakPolarHBondContact OG-CA 3.49Å; S125-K332 WeakPolarHBondContact OG-CG 3.47Å; S125-K332 PolarHBondContact OG-N 3Å; S125-D335 PolarHBondContact OG-OD2 3.43Å; S125-D335 VanDerWaalsContact OG-OD2 3.12Å
126S40.8Very low71.9Confident126 Ų12650.6 Ų50.688%0.88129%0.285SS*.THydrogen-bonded Turntrans29.7-29.4165.8-105.60000122.9
127G46.3Very low71.5Confident61 Ų6152.1 Ų52.163%0.62929%0.291SS*.THydrogen-bonded Turntrans-125.7-2163.700000113.6S125 T129S125-G127 PolarHBondContact O-N 3.18Å; G127-T129 PolarHBondContact O-N 3.45Å
128A58.8Low71.3Confident12 Ų1251.3 Ų51.310%0.09929%0.286CS..  trans-82114.2179.800000110.9S122 G123 S125S122-A128 VanDerWaalsContact CB-CB 3.49Å; S122-A128 WeakPolarHBondContact O-CB 3.26Å; S122-A128 VanDerWaalsContact OG-CB 3.29Å; S122-A128 WeakPolarHBondContact OG-CB 3.29Å; G123-A128 WeakPolarHBondContact O-CB 3.47Å; S125-A128 WeakPolarHBondContact O-CB 3.34Å; S125-A128 PolarHBondContact O-N 2.92Å
129T68.9Low70.9Confident25 Ų2554.4 Ų54.415%0.15330%0.298CS..  trans-82.8139.7-179.9460000111.5G127 Q133 D134 R152G127-T129 PolarHBondContact O-N 3.45Å; T129-Q133 HydrophobicContact CG2-CB 4.25Å; T129-D134 WeakPolarHBondContact CB-OD1 3.38Å; T129-D134 PolarHBondContact OG1-OD1 3.2Å; T129-D134 PolarHBondContact OG1-OD2 2.89Å; T129-R152 PolarHBondContact O-NH1 2.77Å; T129-R152 PolarHBondContact O-NH2 2.85Å
130T77.2Confident70.6Confident38 Ų3861 Ų6123%0.23333%0.329CS..  trans-69.4161.9162.564.70000110.1F132 Q133 D134T130-F132 PolarHBondContact O-N 3.39Å; T130-Q133 PolarHBondContact O-N 2.99Å; T130-Q133 WeakPolarHBondContact OG1-CB 3.23Å; T130-Q133 VanDerWaalsContact OG1-CG 3.3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.18Å; T130-Q133 PolarHBondContact OG1-N 3.28Å; T130-Q133 VanDerWaalsContact OG1-N 3.08Å; T130-Q133 PolarHBondContact OG1-OE1 3.27Å; T130-D134 PolarHBondContact O-N 2.81Å
131K81.8Confident70.7Confident95 Ų9567.1 Ų67.141%0.41336%0.355SS..Hα-helixtrans-55.1-39.4174.6-63.7-163.7-77.9-173.40112D134 F135 D155 L156K131-D134 PolarHBondContact O-N 3.29Å; K131-F135 WeakPolarHBondContact O-CB 3.43Å; K131-F135 PolarHBondContact O-N 3.48Å; K131-D155 HydrophobicContact CD-CB 3.85Å; K131-D155 WeakPolarHBondContact CD-OD2 3.46Å; K131-D155 IonicContact NZ-OD2 3.94Å; K131-D155 PolarHBondContact NZ-OD2 3.35Å; K131-L156 HydrophobicContact CB-CD2 4.06Å; K131-L156 VanDerWaalsContact O-CD2 3.25Å; K131-L156 WeakPolarHBondContact O-CD2 3.39Å
132F80.3Confident71.4Confident143 Ų14363.5 Ų63.563%0.62733%0.329SS*.Hα-helixtrans-64.9-41.8175.9-173.8-104000112.1T130 F135 N136T130-F132 PolarHBondContact O-N 3.39Å; F132-F135 PolarHBondContact O-N 3.48Å; F132-N136 WeakPolarHBondContact CD1-ND2 3.4Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.3Å; F132-N136 VanDerWaalsContact CZ-ND2 3.32Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.06Å; F132-N136 WeakPolarHBondContact O-CB 3.43Å; F132-N136 VanDerWaalsContact O-CG 3.26Å; F132-N136 PolarHBondContact O-N 3.46Å; F132-N136 PolarHBondContact O-OD1 3.45Å
133Q84.3Confident73.1Confident91 Ų9163 Ų6343%0.42533%0.326SS..Hα-helixtrans-67.2-41.4175.7-75.9167.9-28.400112.7T129 T130 F135 N136 N137T129-Q133 HydrophobicContact CG2-CB 4.25Å; T130-Q133 PolarHBondContact O-N 2.99Å; T130-Q133 WeakPolarHBondContact OG1-CB 3.23Å; T130-Q133 VanDerWaalsContact OG1-CG 3.3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.18Å; T130-Q133 PolarHBondContact OG1-N 3.28Å; T130-Q133 VanDerWaalsContact OG1-N 3.08Å; T130-Q133 PolarHBondContact OG1-OE1 3.27Å; Q133-F135 VanDerWaalsContact C-N 3.28Å; Q133-F135 PolarHBondContact O-N 3.2Å; Q133-N136 PolarHBondContact O-N 3.46Å; Q133-N137 VanDerWaalsContact O-CB 3.24Å; Q133-N137 WeakPolarHBondContact O-CB 3.48Å; Q133-N137 PolarHBondContact O-N 3.29Å; Q133-N137 PolarHBondContact O-ND2 3.38Å
134D87.8Confident75.4Confident2 Ų262 Ų621%0.01132%0.315CS..Hα-helixtrans-57.6-46.2173.9-78.6-27.8000111.1F119 T129 T130 K131 N137 F138 R152 L156F119-D134 HydrophobicContact CD1-CB 3.79Å; F119-D134 HydrophobicContact CE1-CB 3.89Å; F119-D134 HydrophobicContact CG-CB 4.49Å; T129-D134 WeakPolarHBondContact CB-OD1 3.38Å; T129-D134 PolarHBondContact OG1-OD1 3.2Å; T129-D134 PolarHBondContact OG1-OD2 2.89Å; T130-D134 PolarHBondContact O-N 2.81Å; K131-D134 PolarHBondContact O-N 3.29Å; D134-N137 PolarHBondContact O-N 3.46Å; D134-F138 PolarHBondContact O-N 3.02Å; D134-R152 IonicContact OD2-CZ 2.7Å; D134-R152 IonicContact OD2-NE 3.81Å; D134-R152 IonicContact OD2-NH1 3.9Å; D134-R152 PolarHBondContact OD2-NH1 2.68Å; D134-L156 HydrophobicContact CB-CD1 3.76Å; D134-L156 HydrophobicContact CB-CD2 4.15Å
135F85.4Confident78.3Confident33 Ų3352.3 Ų52.315%0.14528%0.279CS..Hα-helixtrans-64.9-43.2179.6-169.7-107.7000112.2K131 F132 Q133 F138 K139 L156 P173 I174K131-F135 WeakPolarHBondContact O-CB 3.43Å; K131-F135 PolarHBondContact O-N 3.48Å; F132-F135 PolarHBondContact O-N 3.48Å; Q133-F135 VanDerWaalsContact C-N 3.28Å; Q133-F135 PolarHBondContact O-N 3.2Å; F135-F138 PolarHBondContact O-N 2.89Å; F135-K139 HydrophobicContact CD1-CD 4.05Å; F135-K139 HydrophobicContact CE1-CD 3.78Å; F135-K139 HydrophobicContact CE1-CG 4.45Å; F135-K139 HydrophobicContact CZ-CD 4.42Å; F135-K139 PolarHBondContact O-N 2.88Å; F135-L156 HydrophobicContact CB-CD2 4.26Å; F135-P173 HydrophobicContact CE2-CG 4.21Å; F135-P173 HydrophobicContact CZ-CG 4.27Å; F135-I174 HydrophobicContact CD2-CD1 3.91Å; F135-I174 HydrophobicContact CE2-CD1 4.36Å
136N85.7Confident81.2Confident42 Ų4251.6 Ų51.623%0.22527%0.274CS..Hα-helixtrans-67.8-43.1176.4-71.6-0.9000112F132 Q133 F138 K139 E140F132-N136 WeakPolarHBondContact CD1-ND2 3.4Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.3Å; F132-N136 VanDerWaalsContact CZ-ND2 3.32Å; F132-N136 WeakPolarHBondContact CZ-ND2 3.06Å; F132-N136 WeakPolarHBondContact O-CB 3.43Å; F132-N136 VanDerWaalsContact O-CG 3.26Å; F132-N136 PolarHBondContact O-N 3.46Å; F132-N136 PolarHBondContact O-OD1 3.45Å; Q133-N136 PolarHBondContact O-N 3.46Å; N136-F138 PolarHBondContact O-N 3.23Å; N136-K139 WeakPolarHBondContact O-CB 3.5Å; N136-K139 PolarHBondContact O-N 3.48Å; N136-E140 WeakPolarHBondContact O-CB 3.26Å; N136-E140 WeakPolarHBondContact O-CG 3.1Å; N136-E140 PolarHBondContact O-N 2.86Å
137N87.7Confident83.9Confident47 Ų4745.6 Ų45.625%0.25123%0.232SC..Hα-helixtrans-56.4-40.7174.5-74.4-18.3000111Q133 D134 K141Q133-N137 VanDerWaalsContact O-CB 3.24Å; Q133-N137 WeakPolarHBondContact O-CB 3.48Å; Q133-N137 PolarHBondContact O-N 3.29Å; Q133-N137 PolarHBondContact O-ND2 3.38Å; D134-N137 PolarHBondContact O-N 3.46Å; N137-K141 WeakPolarHBondContact O-CB 3.18Å; N137-K141 PolarHBondContact O-N 3.22Å
138F89Confident86.2Confident0 Ų042.7 Ų42.70%020%0.202CC..Hα-helixtrans-67-42.3174.1-171.7-89.9000112.6Y77 I79 L117 F119 D134 F135 N136 E140 G142 P173 I174Y77-F138 HydrophobicContact CD1-CE1 4.06Å; I79-F138 HydrophobicContact CD1-CE2 3.7Å; I79-F138 HydrophobicContact CD1-CZ 3.81Å; I79-F138 HydrophobicContact CG1-CE2 3.82Å; I79-F138 HydrophobicContact CG1-CZ 3.95Å; L117-F138 HydrophobicContact CD1-CB 4.1Å; L117-F138 HydrophobicContact CD1-CD2 4.03Å; F119-F138 HydrophobicContact CZ-CB 4.03Å; F119-F138 AromaticContact CZ-CD2 4Å; F119-F138 HydrophobicContact CZ-CD2 4Å; F119-F138 HydrophobicContact CZ-CG 4.35Å; D134-F138 PolarHBondContact O-N 3.02Å; F135-F138 PolarHBondContact O-N 2.89Å; N136-F138 PolarHBondContact O-N 3.23Å; F138-E140 VanDerWaalsContact C-N 3.32Å; F138-E140 PolarHBondContact O-N 3.46Å; F138-G142 VanDerWaalsContact O-CA 3.23Å; F138-G142 WeakPolarHBondContact O-CA 3.25Å; F138-G142 PolarHBondContact O-N 3.13Å; F138-P173 HydrophobicContact CD1-CB 4.22Å; F138-P173 HydrophobicContact CD1-CG 4.09Å; F138-P173 HydrophobicContact CE1-CB 3.92Å; F138-P173 HydrophobicContact CE1-CG 4.26Å; F138-I174 HydrophobicContact CD1-CG1 3.64Å; F138-I174 HydrophobicContact CD2-CG1 4.27Å; F138-I174 HydrophobicContact CE1-CB 4.46Å; F138-I174 HydrophobicContact CE1-CG1 3.87Å; F138-I174 HydrophobicContact CE2-CG1 4.48Å; F138-I174 HydrophobicContact CG-CG1 3.86Å; F138-I174 HydrophobicContact CZ-CG1 4.3Å
139K85Confident87.8Confident92 Ų9242.5 Ų42.540%0.420%0.2SC..Hα-helixtrans-62.5-38176.8-81.3-175.9163.8-174.40112.9Y77 F135 N136 P173Y77-K139 VanDerWaalsContact CE1-O 3.26Å; Y77-K139 WeakPolarHBondContact CE1-O 3.26Å; Y77-K139 PolarHBondContact OH-O 3.46Å; F135-K139 HydrophobicContact CD1-CD 4.05Å; F135-K139 HydrophobicContact CE1-CD 3.78Å; F135-K139 HydrophobicContact CE1-CG 4.45Å; F135-K139 HydrophobicContact CZ-CD 4.42Å; F135-K139 PolarHBondContact O-N 2.88Å; N136-K139 WeakPolarHBondContact O-CB 3.5Å; N136-K139 PolarHBondContact O-N 3.48Å; K139-P173 HydrophobicContact CG-CG 3.98Å
140E86.3Confident89Confident138 Ų13841.3 Ų41.365%0.64519%0.192SC*.Hα-helixtrans-80.6-46.3-177.8-70.8171.5-16700112.4N136 F138N136-E140 WeakPolarHBondContact O-CB 3.26Å; N136-E140 WeakPolarHBondContact O-CG 3.1Å; N136-E140 PolarHBondContact O-N 2.86Å; F138-E140 VanDerWaalsContact C-N 3.32Å; F138-E140 PolarHBondContact O-N 3.46Å
141K86.6Confident89.6Confident134 Ų13440.6 Ų40.658%0.58319%0.192SC*.Hα-helixtrans-104.6-23.3-169.7-60.2-179.5175177.70113.9N137N137-K141 WeakPolarHBondContact O-CB 3.18Å; N137-K141 PolarHBondContact O-N 3.22Å
142G88.2Confident90Very high0 Ų037 Ų370%018%0.176CC..  trans65.5-175.2-166.300000113.1T76 L117 F138T76-G142 WeakPolarHBondContact O-CA 3.06Å; L117-G142 WeakPolarHBondContact CD1-O 2.86Å; F138-G142 VanDerWaalsContact O-CA 3.23Å; F138-G142 WeakPolarHBondContact O-CA 3.25Å; F138-G142 PolarHBondContact O-N 3.13Å
143S93.9Very high90.6Very high0 Ų030.1 Ų30.10%015%0.146CC..  trans-162.4118.7173.8-176.20000111.3T76 I79 S115 L117 I145T76-S143 PolarHBondContact O-N 3.21Å; I79-S143 WeakPolarHBondContact CA-O 3.47Å; I79-S143 WeakPolarHBondContact CG1-O 3.4Å; S115-S143 VanDerWaalsContact OG-CA 3.3Å; S115-S143 WeakPolarHBondContact OG-CA 3.4Å; L117-S143 PolarHBondContact N-OG 3.35Å; L117-S143 VanDerWaalsContact N-OG 3.17Å; S143-I145 VanDerWaalsContact OG-C 3.28Å; S143-I145 PolarHBondContact OG-O 3.08Å
144T95.6Very high91Very high5 Ų526.5 Ų26.53%0.03113%0.129CC..SBendtrans-73.3-41.3170.2-42.20000111.5L67 W74 G80 A81 F114 S115L67-T144 HydrophobicContact CD1-CG2 4.29Å; W74-T144 HydrophobicContact CB-CG2 4.08Å; W74-T144 HydrophobicContact CD2-CG2 3.59Å; W74-T144 HydrophobicContact CE3-CG2 3.97Å; W74-T144 HydrophobicContact CG-CG2 3.61Å; G80-T144 PolarHBondContact N-O 2.96Å; A81-T144 PolarHBondContact N-O 3.45Å; A81-T144 VanDerWaalsContact N-O 3.13Å; F114-T144 HydrophobicContact CD1-CG2 4.04Å; F114-T144 HydrophobicContact CE1-CG2 4.48Å; F114-T144 HydrophobicContact CG-CG2 4.34Å; S115-T144 PolarHBondContact N-OG1 3.48Å; S115-T144 WeakPolarHBondContact O-CA 3.34Å; S115-T144 WeakPolarHBondContact O-CB 3.35Å; S115-T144 PolarHBondContact O-N 2.79Å; S115-T144 PolarHBondContact OG-N 3.48Å
145I97.8Very high91Very high0 Ų029.5 Ų29.50%015%0.145CC..EExtended strand (participates in β ladder)trans-120.5115.7178.3-55.3177.7000109.8V63 L64 L67 A81 I83 V98 I102 S115 A116 L117 S143V63-I145 HydrophobicContact CG1-CD1 4.08Å; L64-I145 HydrophobicContact CD2-CD1 3.59Å; L64-I145 HydrophobicContact CG-CD1 4.35Å; L67-I145 HydrophobicContact CD1-CD1 3.76Å; L67-I145 HydrophobicContact CD1-CG1 3.54Å; A81-I145 HydrophobicContact CB-CG1 4.38Å; A81-I145 HydrophobicContact CB-CG2 4.3Å; I83-I145 HydrophobicContact CD1-CG2 4.37Å; V98-I145 HydrophobicContact CG1-CB 4.12Å; V98-I145 HydrophobicContact CG1-CD1 3.92Å; V98-I145 HydrophobicContact CG1-CG2 3.85Å; I102-I145 HydrophobicContact CD1-CD1 4.28Å; S115-I145 PolarHBondContact O-N 3.15Å; A116-I145 WeakPolarHBondContact CA-O 3.13Å; A116-I145 HydrophobicContact CB-CB 4.47Å; L117-I145 PolarHBondContact N-O 3.4Å; S143-I145 VanDerWaalsContact OG-C 3.28Å; S143-I145 PolarHBondContact OG-O 3.08Å
146L97.3Very high91.1Very high0 Ų028 Ų280%014%0.139CC..EExtended strand (participates in β ladder)trans-103.5124.2179.2-17560.2000110.8I79 A81 L82 I83 L117 F119 L153I79-L146 HydrophobicContact CD1-CD2 4.17Å; I79-L146 HydrophobicContact CG2-CB 3.98Å; A81-L146 PolarHBondContact O-N 2.86Å; L82-L146 CarbonylContact C-O 3.48Å; L82-L146 WeakPolarHBondContact CA-O 3.4Å; L82-L146 HydrophobicContact CD1-CB 4.16Å; L82-L146 HydrophobicContact CD1-CD2 4.15Å; L82-L146 HydrophobicContact CD1-CG 4.08Å; L82-L146 WeakPolarHBondContact CD1-O 3.44Å; I83-L146 PolarHBondContact N-O 3.02Å; L117-L146 HydrophobicContact CB-CD1 3.97Å; F119-L146 HydrophobicContact CD1-CD1 4.2Å; F119-L146 HydrophobicContact CD2-CD1 3.59Å; F119-L146 HydrophobicContact CD2-CD2 3.84Å; F119-L146 HydrophobicContact CD2-CG 4.2Å; F119-L146 HydrophobicContact CE1-CD1 4.12Å; F119-L146 HydrophobicContact CE2-CD1 3.51Å; F119-L146 HydrophobicContact CE2-CD2 3.67Å; F119-L146 HydrophobicContact CE2-CG 4.22Å; F119-L146 HydrophobicContact CG-CD1 3.92Å; F119-L146 HydrophobicContact CZ-CD1 3.77Å; L146-L153 HydrophobicContact CD2-CD1 3.96Å
147V97.2Very high91.1Very high0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-106129.4170.5-170.60000108.7I83 A91 I94 L117 V118 F119I83-V147 HydrophobicContact CB-CG1 4.38Å; I83-V147 HydrophobicContact CB-CG2 4.37Å; I83-V147 HydrophobicContact CD1-CG2 4.33Å; I83-V147 CarbonylContact O-C 3.59Å; I83-V147 WeakPolarHBondContact O-CA 3.39Å; A91-V147 HydrophobicContact CB-CG1 4.04Å; A91-V147 WeakPolarHBondContact O-CG1 3.32Å; I94-V147 HydrophobicContact CB-CG1 4.11Å; I94-V147 HydrophobicContact CG2-CG1 4.04Å; I94-V147 HydrophobicContact CG2-CG2 4.09Å; L117-V147 PolarHBondContact O-N 3.16Å; V118-V147 CarbonylContact C-O 3.55Å; V118-V147 WeakPolarHBondContact CA-O 3.33Å; V118-V147 HydrophobicContact CG2-CB 4.48Å; F119-V147 PolarHBondContact N-O 2.95Å
148A95.3Very high90.8Very high0 Ų027.6 Ų27.60%014%0.136CC..EExtended strand (participates in β ladder)trans-150154.4-174.800000114.4L82 I83 L84 S85 F119 L153L82-A148 HydrophobicContact CD1-CB 4.42Å; I83-A148 PolarHBondContact O-N 2.96Å; L84-A148 WeakPolarHBondContact CA-O 3.49Å; L84-A148 HydrophobicContact CD2-CB 4.2Å; S85-A148 PolarHBondContact N-O 2.85Å; F119-A148 HydrophobicContact CB-CB 3.94Å; F119-A148 VanDerWaalsContact O-CA 3.28Å; F119-A148 WeakPolarHBondContact O-CA 3.33Å; A148-L153 HydrophobicContact CB-CB 3.93Å; A148-L153 HydrophobicContact CB-CD2 4.36Å
149T92.3Very high90Very high8 Ų829.5 Ų29.55%0.04915%0.152CC..  trans-83.3139.5158.462.40000110S85 A91 F119 T120 G151 R152 L153S85-T149 WeakPolarHBondContact O-CA 3.46Å; S85-T149 WeakPolarHBondContact O-CG2 3.47Å; A91-T149 HydrophobicContact CB-CG2 4.42Å; F119-T149 PolarHBondContact O-N 2.82Å; T120-T149 HydrophobicContact CG2-CG2 4.21Å; T149-G151 VanDerWaalsContact C-N 3.26Å; T149-G151 PolarHBondContact O-N 2.89Å; T149-R152 PolarHBondContact O-N 2.9Å; T149-R152 VanDerWaalsContact O-N 3.11Å; T149-L153 PolarHBondContact O-N 2.86Å; T149-L153 VanDerWaalsContact O-N 3.12Å
150P93.7Very high88.8Confident0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-55.7-40.9-174.4-23.327.5000113.2S85 R152 N154 L192 F197 Q200 I201 I204S85-P150 WeakPolarHBondContact O-CD 3.37Å; P150-R152 PolarHBondContact O-N 3.09Å; P150-N154 WeakPolarHBondContact O-CB 3.29Å; P150-N154 PolarHBondContact O-N 2.83Å; P150-L192 HydrophobicContact CG-CD2 3.5Å; P150-F197 HydrophobicContact CB-CB 4.06Å; P150-F197 HydrophobicContact CB-CD1 4.11Å; P150-F197 HydrophobicContact CB-CG 4.13Å; P150-F197 HydrophobicContact CG-CB 4.01Å; P150-F197 HydrophobicContact CG-CD1 4.39Å; P150-F197 HydrophobicContact CG-CD2 4.29Å; P150-F197 HydrophobicContact CG-CG 4Å; P150-Q200 HydrophobicContact CB-CB 4.11Å; P150-I201 HydrophobicContact CB-CG1 4.16Å; P150-I201 HydrophobicContact CG-CD1 4.49Å; P150-I201 HydrophobicContact CG-CG1 4.18Å; P150-I204 HydrophobicContact CB-CD1 4.11Å
151G91.1Very high87.1Confident22 Ų2220.7 Ų20.723%0.22712%0.12CC..Hα-helixtrans-61.2-43.8179.300000113.4T149 D155T149-G151 VanDerWaalsContact C-N 3.26Å; T149-G151 PolarHBondContact O-N 2.89Å; G151-D155 WeakPolarHBondContact O-CB 3.37Å; G151-D155 PolarHBondContact O-N 2.81Å; G151-D155 VanDerWaalsContact O-N 3.07Å
152R89.8Confident85.2Confident19 Ų1921.2 Ų21.27%0.07213%0.128CC..Hα-helixtrans-71.6-42.1-179.5178.759.772.6107.40.2111.3F119 T120 T129 D134 T149 P150 D155 L156F119-R152 HydrophobicContact CB-CG 3.94Å; T120-R152 VanDerWaalsContact O-CZ 3.26Å; T120-R152 PolarHBondContact O-NH2 2.8Å; T129-R152 PolarHBondContact O-NH1 2.77Å; T129-R152 PolarHBondContact O-NH2 2.85Å; D134-R152 IonicContact OD2-CZ 2.7Å; D134-R152 IonicContact OD2-NE 3.81Å; D134-R152 IonicContact OD2-NH1 3.9Å; D134-R152 PolarHBondContact OD2-NH1 2.68Å; T149-R152 PolarHBondContact O-N 2.9Å; T149-R152 VanDerWaalsContact O-N 3.11Å; P150-R152 PolarHBondContact O-N 3.09Å; R152-D155 WeakPolarHBondContact O-CB 3.5Å; R152-D155 PolarHBondContact O-N 2.84Å; R152-L156 HydrophobicContact CG-CD1 4.27Å; R152-L156 WeakPolarHBondContact O-CG 3.44Å; R152-L156 PolarHBondContact O-N 2.86Å; R152-L156 VanDerWaalsContact O-N 3.12Å
153L93.3Very high83.1Confident0 Ų026 Ų260%016%0.157CC..Hα-helixtrans-63.3-46176.8178.258.8000111.6L82 L84 F119 L146 A148 T149 D155 L156 I157 I174 I204L82-L153 HydrophobicContact CD1-CD2 3.75Å; L82-L153 HydrophobicContact CD2-CD2 3.68Å; L82-L153 HydrophobicContact CG-CD2 4.38Å; L84-L153 HydrophobicContact CD2-CD2 3.95Å; F119-L153 HydrophobicContact CD2-CD1 4.16Å; L146-L153 HydrophobicContact CD2-CD1 3.96Å; A148-L153 HydrophobicContact CB-CB 3.93Å; A148-L153 HydrophobicContact CB-CD2 4.36Å; T149-L153 PolarHBondContact O-N 2.86Å; T149-L153 VanDerWaalsContact O-N 3.12Å; L153-D155 VanDerWaalsContact C-N 3.3Å; L153-D155 PolarHBondContact O-N 2.86Å; L153-L156 PolarHBondContact O-N 3.01Å; L153-L156 VanDerWaalsContact O-N 3.08Å; L153-I157 HydrophobicContact CD1-CD1 4.09Å; L153-I157 HydrophobicContact CD1-CG1 4.2Å; L153-I157 HydrophobicContact CG-CD1 3.86Å; L153-I157 HydrophobicContact CG-CG1 4.41Å; L153-I157 WeakPolarHBondContact O-CG1 3.16Å; L153-I157 PolarHBondContact O-N 3.02Å; L153-I174 HydrophobicContact CD1-CG2 4.18Å; L153-I204 HydrophobicContact CB-CD1 4.3Å; L153-I204 HydrophobicContact CD2-CD1 4.02Å; L153-I204 HydrophobicContact CD2-CG1 4.23Å; L153-I204 HydrophobicContact CD2-CG2 4.08Å; L153-I204 HydrophobicContact CG-CD1 4.25Å; L153-I204 HydrophobicContact CG-CG1 4.34Å
154N91.3Very high80.6Confident15 Ų1529 Ų298%0.0817%0.173CC..Hα-helixtrans-59.3-42.2177.6-174.271.8000111.7P150 L156 I157 L158 Q200 T203 I204P150-N154 WeakPolarHBondContact O-CB 3.29Å; P150-N154 PolarHBondContact O-N 2.83Å; N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 2.99Å; N154-I157 PolarHBondContact O-N 3.19Å; N154-L158 WeakPolarHBondContact ND2-CD1 3.34Å; N154-L158 WeakPolarHBondContact O-CB 3.41Å; N154-L158 VanDerWaalsContact O-CG 3.29Å; N154-L158 WeakPolarHBondContact O-CG 3.36Å; N154-L158 PolarHBondContact O-N 2.9Å; N154-Q200 HydrophobicContact CB-CB 4.09Å; N154-Q200 HydrophobicContact CB-CG 4.16Å; N154-T203 WeakPolarHBondContact OD1-CB 3.43Å; N154-T203 WeakPolarHBondContact OD1-CG2 3.44Å; N154-I204 HydrophobicContact CB-CD1 4.44Å; N154-I204 HydrophobicContact CB-CG1 4.45Å
155D88Confident78.1Confident65 Ų6540 Ų4035%0.34822%0.215SC..Hα-helixtrans-58.7-39.7173.9-95.825.9000112.7K131 G151 R152 L153 A159K131-D155 HydrophobicContact CD-CB 3.85Å; K131-D155 WeakPolarHBondContact CD-OD2 3.46Å; K131-D155 IonicContact NZ-OD2 3.94Å; K131-D155 PolarHBondContact NZ-OD2 3.35Å; G151-D155 WeakPolarHBondContact O-CB 3.37Å; G151-D155 PolarHBondContact O-N 2.81Å; G151-D155 VanDerWaalsContact O-N 3.07Å; R152-D155 WeakPolarHBondContact O-CB 3.5Å; R152-D155 PolarHBondContact O-N 2.84Å; L153-D155 VanDerWaalsContact C-N 3.3Å; L153-D155 PolarHBondContact O-N 2.86Å; D155-A159 WeakPolarHBondContact O-CB 3.41Å; D155-A159 PolarHBondContact O-N 2.88Å
156L88Confident75.6Confident2 Ų243.7 Ų43.71%0.0125%0.254CS..Hα-helixtrans-74.7-35.5179.7-68.8171000112.6F119 K131 D134 F135 R152 L153 N154 N172 I174F119-L156 HydrophobicContact CB-CD1 4.14Å; F119-L156 HydrophobicContact CD1-CD1 4.19Å; F119-L156 HydrophobicContact CD2-CD1 3.41Å; F119-L156 VanDerWaalsContact CD2-CD1 3.41Å; F119-L156 HydrophobicContact CE2-CD1 3.79Å; F119-L156 HydrophobicContact CG-CD1 3.66Å; F119-L156 HydrophobicContact CZ-CD1 4.34Å; K131-L156 HydrophobicContact CB-CD2 4.06Å; K131-L156 VanDerWaalsContact O-CD2 3.25Å; K131-L156 WeakPolarHBondContact O-CD2 3.39Å; D134-L156 HydrophobicContact CB-CD1 3.76Å; D134-L156 HydrophobicContact CB-CD2 4.15Å; F135-L156 HydrophobicContact CB-CD2 4.26Å; R152-L156 HydrophobicContact CG-CD1 4.27Å; R152-L156 WeakPolarHBondContact O-CG 3.44Å; R152-L156 PolarHBondContact O-N 2.86Å; R152-L156 VanDerWaalsContact O-N 3.12Å; L153-L156 PolarHBondContact O-N 3.01Å; L153-L156 VanDerWaalsContact O-N 3.08Å; N154-L156 VanDerWaalsContact C-N 3.31Å; N154-L156 PolarHBondContact O-N 2.99Å; L156-N172 PolarHBondContact O-ND2 2.89Å; L156-I174 HydrophobicContact CB-CD1 3.89Å; L156-I174 HydrophobicContact CD1-CD1 4.44Å
157I86.7Confident73.1Confident1 Ų150 Ų501%0.00529%0.287CS..Hα-helixtrans-61.4-49.1171.7-70.4169.9000109.5L153 N154 N172 I175 L178 I204 F207L153-I157 HydrophobicContact CD1-CD1 4.09Å; L153-I157 HydrophobicContact CD1-CG1 4.2Å; L153-I157 HydrophobicContact CG-CD1 3.86Å; L153-I157 HydrophobicContact CG-CG1 4.41Å; L153-I157 WeakPolarHBondContact O-CG1 3.16Å; L153-I157 PolarHBondContact O-N 3.02Å; N154-I157 PolarHBondContact O-N 3.19Å; I157-N172 PolarHBondContact O-ND2 3.23Å; I157-I175 HydrophobicContact CG2-CD1 3.95Å; I157-I175 HydrophobicContact CG2-CG1 4.06Å; I157-L178 HydrophobicContact CD1-CD1 3.88Å; I157-L178 HydrophobicContact CG1-CD1 4.3Å; I157-I204 HydrophobicContact CD1-CG1 4.01Å; I157-F207 HydrophobicContact CG2-CD2 3.76Å; I157-F207 HydrophobicContact CG2-CE2 3.55Å; I157-F207 HydrophobicContact CG2-CG 4.38Å; I157-F207 HydrophobicContact CG2-CZ 3.98Å
158L81.1Confident70.7Confident79 Ų7951.9 Ų51.941%0.41431%0.306SS..Hα-helixtrans-74-32.9-177.8-66.6177.3000113.8N154 G160 A161N154-L158 WeakPolarHBondContact ND2-CD1 3.34Å; N154-L158 WeakPolarHBondContact O-CB 3.41Å; N154-L158 VanDerWaalsContact O-CG 3.29Å; N154-L158 WeakPolarHBondContact O-CG 3.36Å; N154-L158 PolarHBondContact O-N 2.9Å; L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 2.95Å; L158-A161 VanDerWaalsContact O-CB 3.3Å; L158-A161 WeakPolarHBondContact O-CB 3.42Å; L158-A161 PolarHBondContact O-N 3.34Å; L158-A161 VanDerWaalsContact O-N 3.1Å
159A72.1Confident68.5Low39 Ų3955.7 Ų55.732%0.32233%0.327SS..Hα-helixtrans-63.4-38.417900000112.1D155 A161 I162 V163D155-A159 WeakPolarHBondContact O-CB 3.41Å; D155-A159 PolarHBondContact O-N 2.88Å; A159-A161 PolarHBondContact O-N 2.63Å; A159-I162 PolarHBondContact O-N 3.25Å; A159-I162 VanDerWaalsContact O-N 3.17Å; A159-V163 PolarHBondContact O-N 3.17Å
160G58.3Low66.5Low4 Ų461.3 Ų61.34%0.04135%0.354CS..Hα-helixtrans-67.2-19.317500000113.8L158 I162L158-G160 VanDerWaalsContact C-N 3.32Å; L158-G160 PolarHBondContact O-N 2.95Å; G160-I162 VanDerWaalsContact C-N 3.26Å; G160-I162 PolarHBondContact O-N 2.6Å
161A50.7Low65.2Low42 Ų4263 Ų6335%0.34737%0.368SS..Hα-helixtrans-73.4-17.2174.400000113.2L158 A159 N169L158-A161 VanDerWaalsContact O-CB 3.3Å; L158-A161 WeakPolarHBondContact O-CB 3.42Å; L158-A161 PolarHBondContact O-N 3.34Å; L158-A161 VanDerWaalsContact O-N 3.1Å; A159-A161 PolarHBondContact O-N 2.63Å; A161-N169 WeakPolarHBondContact CB-OD1 3.4Å
162I47.1Very low64.7Low144 Ų14461.9 Ų61.974%0.73836%0.357SS*.Hα-helixtrans-104.3-30.1-172.8-59.6174.5000112.4A159 G160A159-I162 PolarHBondContact O-N 3.25Å; A159-I162 VanDerWaalsContact O-N 3.17Å; G160-I162 VanDerWaalsContact C-N 3.26Å; G160-I162 PolarHBondContact O-N 2.6Å
163V44.3Very low64.5Low101 Ų10161.9 Ų61.961%0.61236%0.359SS*.Hα-helixtrans-86.3-23.1-170.2-178.40000113.6A159 Y165A159-V163 PolarHBondContact O-N 3.17Å; V163-Y165 PolarHBondContact O-N 3.18Å
164D41.9Very low64.4Low63 Ų6361.9 Ų61.934%0.33736%0.359SS..SBendtrans-89.6104.9179.2-76.1-47.1000111.7G166 A171D164-G166 PolarHBondContact O-N 3.4Å; D164-A171 HydrophobicContact CB-CB 3.87Å; D164-A171 VanDerWaalsContact CG-CB 3.49Å; D164-A171 WeakPolarHBondContact OD2-CB 3.45Å
165Y43.6Very low64.2Low235 Ų23561.4 Ų61.492%0.92236%0.357SS*.THydrogen-bonded Turntrans-51.769.7172.2-71.8-96.2000113.4V163V163-Y165 PolarHBondContact O-N 3.18Å
166G43.7Very low64.2Low78 Ų7866.2 Ų66.280%0.80437%0.37SS*.THydrogen-bonded Turntrans96.40.4169.600000116.8D164 G168D164-G166 PolarHBondContact O-N 3.4Å; G166-G168 VanDerWaalsContact C-N 3.31Å
167L44.4Very low64.4Low132 Ų13266.1 Ų66.169%0.69137%0.369SS*.THydrogen-bonded Turntrans-86.50.7171.9-84.6115.6000114.2A171L167-A171 HydrophobicContact CB-CB 4.05Å
168G47.7Very low64.7Low40 Ų4066 Ų6641%0.41237%0.369SS..G310 helixtrans64.2-176.6176.300000113.6G166 M170 A171G166-G168 VanDerWaalsContact C-N 3.31Å; G168-M170 PolarHBondContact O-N 3.42Å; G168-A171 PolarHBondContact O-N 2.83Å
169N48.3Very low65.2Low80 Ų8069.3 Ų69.343%0.42838%0.376SS..G310 helixtrans-52.6-14.6178.8-67.9-27.3000114.4A161 A171 N172 I175A161-N169 WeakPolarHBondContact CB-OD1 3.4Å; N169-A171 VanDerWaalsContact C-N 3.3Å; N169-A171 PolarHBondContact O-N 3.43Å; N169-N172 PolarHBondContact O-N 2.82Å; N169-I175 HydrophobicContact CB-CD1 4.3Å
170M51.1Low66.2Low126 Ų12669 Ų6962%0.62137%0.371SS*.G310 helixtrans-71.1-22.3-177.3-165.7145.9-72.200113.6G168 N172G168-M170 PolarHBondContact O-N 3.42Å; M170-N172 VanDerWaalsContact C-N 3.35Å
171A66.1Low68Low35 Ų3569 Ų6929%0.28937%0.37SS..G310 helixtrans-80.5-13.1179.400000113.9D164 L167 G168 N169 P173D164-A171 HydrophobicContact CB-CB 3.87Å; D164-A171 VanDerWaalsContact CG-CB 3.49Å; D164-A171 WeakPolarHBondContact OD2-CB 3.45Å; L167-A171 HydrophobicContact CB-CB 4.05Å; G168-A171 PolarHBondContact O-N 2.83Å; N169-A171 VanDerWaalsContact C-N 3.3Å; N169-A171 PolarHBondContact O-N 3.43Å; A171-P173 WeakPolarHBondContact O-CD 3.33Å
172N81.8Confident70.1Confident0 Ų069.3 Ų69.30%037%0.365CS..  trans-74.7109.7174.8-171.5-20.7000110.3L156 I157 N169 M170 I174 I175 R176L156-N172 PolarHBondContact O-ND2 2.89Å; I157-N172 PolarHBondContact O-ND2 3.23Å; N169-N172 PolarHBondContact O-N 2.82Å; M170-N172 VanDerWaalsContact C-N 3.35Å; N172-I174 PolarHBondContact O-N 3.35Å; N172-I174 VanDerWaalsContact O-N 3.16Å; N172-I174 WeakPolarHBondContact OD1-CB 3.43Å; N172-I174 PolarHBondContact OD1-N 3.44Å; N172-I175 HydrophobicContact CB-CB 4.21Å; N172-I175 HydrophobicContact CB-CD1 3.85Å; N172-I175 HydrophobicContact CB-CG1 3.92Å; N172-I175 PolarHBondContact O-N 3.2Å; N172-I175 VanDerWaalsContact O-N 3.08Å; N172-R176 PolarHBondContact O-N 3.06Å; N172-R176 VanDerWaalsContact O-N 3.15Å
173P85.5Confident72.5Confident18 Ų1862.5 Ų62.512%0.11733%0.33CS..Hα-helixtrans-64.2-25.3-175.529.8-37.5000112F135 F138 K139 A171 G177F135-P173 HydrophobicContact CE2-CG 4.21Å; F135-P173 HydrophobicContact CZ-CG 4.27Å; F138-P173 HydrophobicContact CD1-CB 4.22Å; F138-P173 HydrophobicContact CD1-CG 4.09Å; F138-P173 HydrophobicContact CE1-CB 3.92Å; F138-P173 HydrophobicContact CE1-CG 4.26Å; K139-P173 HydrophobicContact CG-CG 3.98Å; A171-P173 WeakPolarHBondContact O-CD 3.33Å; P173-G177 PolarHBondContact O-N 3.49Å
174I89.6Confident75.1Confident0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-66.8-47.7175.2-59.6170.9000109.8I79 F119 F135 F138 L153 L156 N172 R176 G177 L178I79-I174 HydrophobicContact CD1-CG2 4.29Å; F119-I174 HydrophobicContact CE2-CD1 4.06Å; F119-I174 HydrophobicContact CZ-CD1 4.47Å; F135-I174 HydrophobicContact CD2-CD1 3.91Å; F135-I174 HydrophobicContact CE2-CD1 4.36Å; F138-I174 HydrophobicContact CD1-CG1 3.64Å; F138-I174 HydrophobicContact CD2-CG1 4.27Å; F138-I174 HydrophobicContact CE1-CB 4.46Å; F138-I174 HydrophobicContact CE1-CG1 3.87Å; F138-I174 HydrophobicContact CE2-CG1 4.48Å; F138-I174 HydrophobicContact CG-CG1 3.86Å; F138-I174 HydrophobicContact CZ-CG1 4.3Å; L153-I174 HydrophobicContact CD1-CG2 4.18Å; L156-I174 HydrophobicContact CB-CD1 3.89Å; L156-I174 HydrophobicContact CD1-CD1 4.44Å; N172-I174 PolarHBondContact O-N 3.35Å; N172-I174 VanDerWaalsContact O-N 3.16Å; N172-I174 WeakPolarHBondContact OD1-CB 3.43Å; N172-I174 PolarHBondContact OD1-N 3.44Å; I174-R176 VanDerWaalsContact C-N 3.3Å; I174-R176 PolarHBondContact O-N 3.17Å; I174-G177 PolarHBondContact O-N 3.37Å; I174-G177 VanDerWaalsContact O-N 3.09Å; I174-L178 HydrophobicContact CG2-CD1 4.22Å; I174-L178 HydrophobicContact CG2-CG 4.35Å; I174-L178 VanDerWaalsContact O-CG 3.3Å; I174-L178 WeakPolarHBondContact O-CG 3.18Å; I174-L178 PolarHBondContact O-N 3.32Å
175I88.8Confident77.7Confident6 Ų654.8 Ų54.83%0.03129%0.285CS..Hα-helixtrans-61.2-42.8178.8-63.5178.8000110.2I157 N169 N172 G177 L178 F207I157-I175 HydrophobicContact CG2-CD1 3.95Å; I157-I175 HydrophobicContact CG2-CG1 4.06Å; N169-I175 HydrophobicContact CB-CD1 4.3Å; N172-I175 HydrophobicContact CB-CB 4.21Å; N172-I175 HydrophobicContact CB-CD1 3.85Å; N172-I175 HydrophobicContact CB-CG1 3.92Å; N172-I175 PolarHBondContact O-N 3.2Å; N172-I175 VanDerWaalsContact O-N 3.08Å; I175-G177 VanDerWaalsContact C-N 3.32Å; I175-G177 PolarHBondContact O-N 2.99Å; I175-L178 PolarHBondContact O-N 3.31Å; I175-F207 HydrophobicContact CD1-CD1 4.38Å; I175-F207 HydrophobicContact CD1-CE1 4.14Å; I175-F207 HydrophobicContact CG2-CD1 3.91Å; I175-F207 HydrophobicContact CG2-CE1 4.46Å
176R88Confident80.2Confident165 Ų16543.6 Ų43.662%0.62324%0.241SC*.Hα-helixtrans-59.5-44.7173.9179.8179168.6137.4-1.8111.2N172 I174 R179N172-R176 PolarHBondContact O-N 3.06Å; N172-R176 VanDerWaalsContact O-N 3.15Å; I174-R176 VanDerWaalsContact C-N 3.3Å; I174-R176 PolarHBondContact O-N 3.17Å; R176-R179 WeakPolarHBondContact O-CB 3.16Å; R176-R179 PolarHBondContact O-N 2.95Å
177G91.2Very high82.6Confident0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-63.6-40.618000000114.1Y77 I79 P173 I174 I175 R179 S180Y77-G177 WeakPolarHBondContact O-CA 3.18Å; I79-G177 PolarHBondContact N-O 3.48Å; I79-G177 VanDerWaalsContact N-O 3.12Å; P173-G177 PolarHBondContact O-N 3.49Å; I174-G177 PolarHBondContact O-N 3.37Å; I174-G177 VanDerWaalsContact O-N 3.09Å; I175-G177 VanDerWaalsContact C-N 3.32Å; I175-G177 PolarHBondContact O-N 2.99Å; G177-R179 PolarHBondContact O-N 3.2Å; G177-R179 VanDerWaalsContact O-N 3.13Å; G177-S180 PolarHBondContact O-N 3.29Å
178L93.5Very high84.8Confident0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-61.3-21.1178.7-69.1173.7000113.3I79 L82 I157 I174 I175 S180 M181 L208 P209I79-L178 HydrophobicContact CD1-CD2 3.8Å; I79-L178 HydrophobicContact CD1-CG 4.01Å; I79-L178 HydrophobicContact CG2-CD2 4.37Å; L82-L178 HydrophobicContact CD2-CD2 4.35Å; I157-L178 HydrophobicContact CD1-CD1 3.88Å; I157-L178 HydrophobicContact CG1-CD1 4.3Å; I174-L178 HydrophobicContact CG2-CD1 4.22Å; I174-L178 HydrophobicContact CG2-CG 4.35Å; I174-L178 VanDerWaalsContact O-CG 3.3Å; I174-L178 WeakPolarHBondContact O-CG 3.18Å; I174-L178 PolarHBondContact O-N 3.32Å; I175-L178 PolarHBondContact O-N 3.31Å; L178-S180 PolarHBondContact O-N 2.86Å; L178-M181 HydrophobicContact CD2-CE 3.33Å; L178-M181 HydrophobicContact CG-CE 4.49Å; L178-M181 WeakPolarHBondContact O-CB 3.49Å; L178-M181 PolarHBondContact O-N 3.24Å; L178-L208 HydrophobicContact CB-CD2 3.93Å; L178-L208 HydrophobicContact CD1-CD2 4.17Å; L178-L208 HydrophobicContact CD2-CD2 3.92Å; L178-L208 HydrophobicContact CG-CD2 4.21Å; L178-P209 WeakPolarHBondContact O-CD 3.34Å
179R91.5Very high86.8Confident147 Ų14732 Ų3256%0.55515%0.152SC*.THydrogen-bonded Turntrans-67.5-20.7175.5-64.6-179.9177.5-177.9-3.2113.6R176 G177 M181R176-R179 WeakPolarHBondContact O-CB 3.16Å; R176-R179 PolarHBondContact O-N 2.95Å; G177-R179 PolarHBondContact O-N 3.2Å; G177-R179 VanDerWaalsContact O-N 3.13Å; R179-M181 VanDerWaalsContact C-N 3.31Å
180S93.1Very high88.6Confident33 Ų3328.4 Ų28.423%0.23113%0.132CC..THydrogen-bonded Turntrans-92.67.9179.2-54.60000113E78 I79 G177 L178 E182E78-S180 WeakPolarHBondContact CG-OG 2.96Å; I79-S180 CarbonylContact O-C 3.5Å; I79-S180 VanDerWaalsContact O-C 3.28Å; G177-S180 PolarHBondContact O-N 3.29Å; L178-S180 PolarHBondContact O-N 2.86Å; S180-E182 PolarHBondContact O-N 3.09Å
181M95.6Very high90.2Very high4 Ų423.8 Ų23.82%0.0211%0.108CC..  trans-69.5128.3-175-176.5-176-59.300111.9I79 L82 L178 R179 V183 L184 L208 P209I79-M181 WeakPolarHBondContact O-CA 3.37Å; I79-M181 PolarHBondContact O-N 2.92Å; I79-M181 VanDerWaalsContact O-N 3.11Å; L82-M181 HydrophobicContact CB-CE 3.26Å; L82-M181 HydrophobicContact CB-SD 3.86Å; L82-M181 HydrophobicContact CD2-CE 3.78Å; L82-M181 HydrophobicContact CG-CE 4.15Å; L178-M181 HydrophobicContact CD2-CE 3.33Å; L178-M181 HydrophobicContact CG-CE 4.49Å; L178-M181 WeakPolarHBondContact O-CB 3.49Å; L178-M181 PolarHBondContact O-N 3.24Å; R179-M181 VanDerWaalsContact C-N 3.31Å; M181-V183 WeakPolarHBondContact CG-O 3.48Å; M181-L184 HydrophobicContact SD-CB 4.14Å; M181-L208 HydrophobicContact CE-CD1 4.2Å; M181-L208 HydrophobicContact CE-CD2 3.33Å; M181-L208 HydrophobicContact CE-CG 4.33Å; M181-L208 HydrophobicContact SD-CD1 3.78Å; M181-L208 HydrophobicContact SD-CD2 3.85Å; M181-L208 HydrophobicContact SD-CG 4.27Å; M181-P209 HydrophobicContact CB-CG 4.13Å; M181-P209 WeakPolarHBondContact O-CG 3.29Å
182E95.5Very high91.3Very high49 Ų4922.1 Ų22.123%0.2299%0.094CC..  trans-103-28.2175.1-66.1-169.2-150.900112.4I66 R70 W74 G80 S180 R213I66-E182 HydrophobicContact CG2-CB 4.27Å; R70-E182 WeakPolarHBondContact CD-OE1 3.41Å; W74-E182 HydrophobicContact CH2-CG 4.16Å; G80-E182 PolarHBondContact O-N 2.85Å; S180-E182 PolarHBondContact O-N 3.09Å; E182-R213 PolarHBondContact O-N 3.01Å; E182-R213 IonicContact OE2-NH1 3.26Å
183V97.7Very high91.6Very high1 Ų122.3 Ų22.31%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-134128.2-176-165.60000112.2V63 I66 G80 A81 L82 M181 I185 R213V63-V183 HydrophobicContact CG2-CB 4.17Å; V63-V183 HydrophobicContact CG2-CG1 3.66Å; I66-V183 HydrophobicContact CB-CG2 4.09Å; I66-V183 HydrophobicContact CD1-CG2 3.7Å; I66-V183 HydrophobicContact CG1-CG2 4.49Å; I66-V183 HydrophobicContact CG2-CG2 3.73Å; G80-V183 PolarHBondContact O-N 3.24Å; G80-V183 VanDerWaalsContact O-N 3.1Å; A81-V183 CarbonylContact C-O 3.58Å; A81-V183 VanDerWaalsContact CA-O 3.24Å; A81-V183 WeakPolarHBondContact CA-O 3.23Å; A81-V183 HydrophobicContact CB-CB 4.19Å; L82-V183 PolarHBondContact N-O 2.95Å; M181-V183 WeakPolarHBondContact CG-O 3.48Å; V183-I185 HydrophobicContact CG1-CD1 3.85Å; V183-I185 HydrophobicContact CG1-CG1 4.22Å; V183-R213 CarbonylContact C-O 3.28Å; V183-R213 VanDerWaalsContact CA-O 3.31Å; V183-R213 WeakPolarHBondContact CA-O 3.46Å
184L97.7Very high91.3Very high0 Ų024.4 Ų24.40%010%0.104CC..EExtended strand (participates in β ladder)trans-113127.3169173.866.5000109.6L82 M181 L186 L205 L208 R213 T214 G215L82-L184 HydrophobicContact CB-CD1 4.17Å; L82-L184 HydrophobicContact CD2-CD1 3.94Å; L82-L184 HydrophobicContact CG-CD1 4.02Å; L82-L184 CarbonylContact O-C 3.41Å; L82-L184 WeakPolarHBondContact O-CA 3.37Å; M181-L184 HydrophobicContact SD-CB 4.14Å; L184-L186 HydrophobicContact CD1-CD2 4.16Å; L184-L186 HydrophobicContact CD2-CD2 4.38Å; L184-L186 HydrophobicContact CG-CD2 4.28Å; L184-L186 HydrophobicContact CG-CG 4.46Å; L184-L205 HydrophobicContact CD2-CD2 3.43Å; L184-L205 VanDerWaalsContact CD2-CD2 3.43Å; L184-L208 HydrophobicContact CD1-CD1 4.04Å; L184-L208 HydrophobicContact CD2-CD1 3.85Å; L184-L208 HydrophobicContact CG-CD1 4.4Å; L184-R213 PolarHBondContact N-O 3.25Å; L184-T214 HydrophobicContact CB-CG2 4.23Å; L184-T214 HydrophobicContact CD2-CG2 3.98Å; L184-T214 HydrophobicContact CG-CG2 4.18Å; L184-T214 CarbonylContact O-C 3.58Å; L184-T214 VanDerWaalsContact O-CA 3.26Å; L184-T214 WeakPolarHBondContact O-CA 3.34Å; L184-G215 PolarHBondContact O-N 3.4Å
185I98Very high90.9Very high1 Ų128.4 Ų28.41%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-115.2130172.2-55-59.3000109.6F59 V63 L82 I83 L84 V183 G215 F217F59-I185 HydrophobicContact CB-CD1 3.85Å; F59-I185 HydrophobicContact CB-CG1 4.13Å; F59-I185 HydrophobicContact CB-CG2 4.07Å; F59-I185 HydrophobicContact CD1-CG2 3.98Å; F59-I185 HydrophobicContact CD2-CG1 4.31Å; F59-I185 HydrophobicContact CD2-CG2 3.82Å; F59-I185 HydrophobicContact CE1-CG2 4.3Å; F59-I185 HydrophobicContact CE2-CG2 4.19Å; F59-I185 HydrophobicContact CG-CG1 4.44Å; F59-I185 HydrophobicContact CG-CG2 3.72Å; F59-I185 HydrophobicContact CZ-CG2 4.41Å; V63-I185 HydrophobicContact CG2-CD1 4.19Å; V63-I185 HydrophobicContact CG2-CG1 3.85Å; L82-I185 PolarHBondContact O-N 3.46Å; I83-I185 HydrophobicContact CB-CB 4.32Å; I83-I185 HydrophobicContact CG1-CB 4.02Å; I83-I185 HydrophobicContact CG1-CG1 4.17Å; I83-I185 HydrophobicContact CG2-CB 4.09Å; I83-I185 HydrophobicContact CG2-CG2 4.1Å; L84-I185 PolarHBondContact N-O 3.17Å; V183-I185 HydrophobicContact CG1-CD1 3.85Å; V183-I185 HydrophobicContact CG1-CG1 4.22Å; I185-G215 CarbonylContact C-O 3.55Å; I185-G215 VanDerWaalsContact CA-O 3.29Å; I185-G215 WeakPolarHBondContact CA-O 3.39Å; I185-F217 HydrophobicContact CD1-CE2 4.22Å; I185-F217 HydrophobicContact CG2-CD2 3.9Å; I185-F217 HydrophobicContact CG2-CE2 4.09Å
186L96.3Very high90.7Very high0 Ų030 Ų300%014%0.141CC..EExtended strand (participates in β ladder)trans-110.899.3171.4-57.4-179.4000108.1L84 L184 L192 G215 L216 F217 L228L84-L186 HydrophobicContact CB-CD2 3.92Å; L84-L186 HydrophobicContact CD1-CD2 3.73Å; L84-L186 HydrophobicContact CG-CD2 4.19Å; L184-L186 HydrophobicContact CD1-CD2 4.16Å; L184-L186 HydrophobicContact CD2-CD2 4.38Å; L184-L186 HydrophobicContact CG-CD2 4.28Å; L184-L186 HydrophobicContact CG-CG 4.46Å; L186-L192 HydrophobicContact CB-CD1 4.35Å; L186-G215 PolarHBondContact N-O 2.76Å; L186-L216 HydrophobicContact CB-CG 4.5Å; L186-L216 HydrophobicContact CD1-CD1 4.32Å; L186-F217 PolarHBondContact O-N 3.5Å; L186-L228 HydrophobicContact CD1-CD1 4.41Å; L186-L228 HydrophobicContact CD1-CD2 4.08Å; L186-L228 HydrophobicContact CD1-CG 4.27Å
187D94.1Very high90.7Very high4 Ų423.9 Ų23.92%0.02112%0.119CC..SBendtrans-88.9142.3179-171.432.5000111.3F59 L84 P86 L90 I94 A189 L192F59-D187 HydrophobicContact CE1-CB 4.31Å; F59-D187 HydrophobicContact CZ-CB 4.3Å; L84-D187 PolarHBondContact O-N 3.48Å; P86-D187 VanDerWaalsContact CD-O 3.29Å; P86-D187 WeakPolarHBondContact CD-O 3.37Å; L90-D187 WeakPolarHBondContact CD2-OD2 3.18Å; I94-D187 HydrophobicContact CD1-CB 4.43Å; I94-D187 WeakPolarHBondContact CD1-OD2 3.35Å; D187-A189 PolarHBondContact O-N 3.15Å; D187-L192 WeakPolarHBondContact O-CD1 3.43Å
188E89.4Confident90.6Very high4 Ų427.9 Ų27.92%0.01914%0.138CC..SBendtrans47.155.9-174.4-59.6-84.6-151.900111.6P86 L90 D190 R191 L192 F217 G357P86-E188 HydrophobicContact CG-CB 3.76Å; P86-E188 HydrophobicContact CG-CG 4.5Å; L90-E188 HydrophobicContact CD2-CG 3.69Å; E188-D190 PolarHBondContact O-N 2.92Å; E188-R191 HydrophobicContact CB-CB 4.08Å; E188-R191 WeakPolarHBondContact O-CA 3.18Å; E188-R191 VanDerWaalsContact O-CB 3.31Å; E188-R191 WeakPolarHBondContact O-CB 3.48Å; E188-R191 PolarHBondContact O-N 3.01Å; E188-L192 PolarHBondContact O-N 2.94Å; E188-F217 WeakPolarHBondContact CA-O 3.25Å; E188-F217 PolarHBondContact N-O 3.46Å; E188-G357 VanDerWaalsContact OE1-CA 3.24Å; E188-G357 WeakPolarHBondContact OE1-CA 3.42Å; E188-G357 PolarHBondContact OE1-N 3.29Å
189A90.4Very high90.4Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-63.3-36.2-169.700000115.1D187 R191 L192 L193 L216 F217 L228D187-A189 PolarHBondContact O-N 3.15Å; A189-R191 VanDerWaalsContact C-N 3.27Å; A189-R191 PolarHBondContact O-N 3.19Å; A189-L192 WeakPolarHBondContact O-CB 3.28Å; A189-L192 PolarHBondContact O-N 2.88Å; A189-L193 WeakPolarHBondContact O-CG 3.5Å; A189-L193 PolarHBondContact O-N 3.42Å; A189-L216 HydrophobicContact CB-CD1 3.76Å; A189-L216 HydrophobicContact CB-CD2 3.83Å; A189-L216 HydrophobicContact CB-CG 3.6Å; A189-F217 PolarHBondContact N-O 3.21Å; A189-L228 HydrophobicContact CB-CD2 4.23Å
190D86.6Confident90.4Very high3 Ų326.5 Ų26.52%0.01615%0.146CC..Hα-helixtrans-53.5-47.1167.653.5-23.6000110.8E188 L192 L193 E194 S218 T220 V225 R356E188-D190 PolarHBondContact O-N 2.92Å; D190-L192 PolarHBondContact O-N 3.46Å; D190-L193 PolarHBondContact O-N 2.97Å; D190-E194 WeakPolarHBondContact O-CG 3.48Å; D190-E194 PolarHBondContact O-N 3.49Å; D190-S218 WeakPolarHBondContact CB-OG 3.48Å; D190-S218 PolarHBondContact OD1-OG 3.26Å; D190-S218 PolarHBondContact OD2-OG 2.91Å; D190-T220 WeakPolarHBondContact CB-OG1 3.4Å; D190-T220 PolarHBondContact OD2-OG1 2.92Å; D190-V225 VanDerWaalsContact CA-CG2 3.5Å; D190-V225 HydrophobicContact CB-CG2 3.81Å; D190-R356 IonicContact OD2-NH2 2.62Å
191R83.5Confident90.4Very high29 Ų2925 Ų2511%0.10914%0.135CC..Hα-helixtrans-67.3-37.3179.1-173.652.5163-158-15.5112.9P86 E188 A189 L193 E194 M195 D352 E377P86-R191 HydrophobicContact CB-CB 4.2Å; P86-R191 HydrophobicContact CB-CG 3.74Å; P86-R191 HydrophobicContact CG-CB 4.03Å; P86-R191 HydrophobicContact CG-CG 3.82Å; E188-R191 HydrophobicContact CB-CB 4.08Å; E188-R191 WeakPolarHBondContact O-CA 3.18Å; E188-R191 VanDerWaalsContact O-CB 3.31Å; E188-R191 WeakPolarHBondContact O-CB 3.48Å; E188-R191 PolarHBondContact O-N 3.01Å; A189-R191 VanDerWaalsContact C-N 3.27Å; A189-R191 PolarHBondContact O-N 3.19Å; R191-L193 PolarHBondContact O-N 3.41Å; R191-E194 WeakPolarHBondContact CD-OE2 3.29Å; R191-E194 IonicContact CZ-OE2 3.27Å; R191-E194 IonicContact NH1-OE2 3.58Å; R191-E194 PolarHBondContact NH1-OE2 3.31Å; R191-E194 PolarHBondContact O-N 3.43Å; R191-M195 HydrophobicContact CG-CG 4.31Å; R191-M195 HydrophobicContact CG-SD 3.97Å; R191-M195 WeakPolarHBondContact O-CB 3.37Å; R191-M195 VanDerWaalsContact O-CG 3.3Å; R191-M195 WeakPolarHBondContact O-CG 3.39Å; R191-M195 PolarHBondContact O-N 3.04Å; R191-D352 PolarHBondContact NH2-O 3.35Å; R191-D352 VanDerWaalsContact NH2-O 3.11Å; R191-E377 IonicContact CZ-OE2 3.08Å; R191-E377 IonicContact NH1-OE2 3.69Å; R191-E377 PolarHBondContact NH1-OE2 3.12Å; R191-E377 IonicContact NH2-OE2 2.81Å; R191-E377 PolarHBondContact NH2-OE2 2.74Å
192L89.1Confident90.1Very high0 Ų028.3 Ų28.30%015%0.153CC..Hα-helixtrans-55.7-42.9173.8-73.5172.9000111.2P86 P150 L186 D187 E188 A189 D190 F197 I201P86-L192 HydrophobicContact CB-CD2 3.84Å; P86-L192 HydrophobicContact CB-CG 4.21Å; P150-L192 HydrophobicContact CG-CD2 3.5Å; L186-L192 HydrophobicContact CB-CD1 4.35Å; D187-L192 WeakPolarHBondContact O-CD1 3.43Å; E188-L192 PolarHBondContact O-N 2.94Å; A189-L192 WeakPolarHBondContact O-CB 3.28Å; A189-L192 PolarHBondContact O-N 2.88Å; D190-L192 PolarHBondContact O-N 3.46Å; L192-F197 HydrophobicContact CD2-CD2 4.12Å; L192-F197 VanDerWaalsContact O-CB 3.32Å; L192-F197 WeakPolarHBondContact O-CB 3.49Å; L192-F197 PolarHBondContact O-N 2.87Å; L192-I201 HydrophobicContact CB-CD1 3.84Å; L192-I201 HydrophobicContact CD1-CD1 4.08Å; L192-I201 HydrophobicContact CD2-CD1 4.38Å; L192-I201 HydrophobicContact CG-CD1 4.35Å
193L87.8Confident89.9Confident4 Ų428.2 Ų28.22%0.02116%0.155CC..Hα-helixtrans-77.5-39.4-178.9-62.8173000113.3A189 D190 R191 M195 G196 E198 R224 V225 L228A189-L193 WeakPolarHBondContact O-CG 3.5Å; A189-L193 PolarHBondContact O-N 3.42Å; D190-L193 PolarHBondContact O-N 2.97Å; R191-L193 PolarHBondContact O-N 3.41Å; L193-M195 VanDerWaalsContact C-N 3.3Å; L193-M195 PolarHBondContact O-N 3.16Å; L193-G196 PolarHBondContact O-N 2.63Å; L193-E198 HydrophobicContact CD2-CB 3.9Å; L193-E198 HydrophobicContact CD2-CG 4.02Å; L193-R224 HydrophobicContact CD1-CB 3.88Å; L193-R224 WeakPolarHBondContact CD1-O 3.29Å; L193-R224 PolarHBondContact O-NH1 3.36Å; L193-R224 PolarHBondContact O-NH2 3.12Å; L193-V225 HydrophobicContact CD1-CB 4.48Å; L193-V225 HydrophobicContact CD1-CG2 3.94Å; L193-L228 HydrophobicContact CD1-CB 4.03Å; L193-L228 HydrophobicContact CD1-CD2 3.94Å; L193-L228 HydrophobicContact CD2-CD2 4.12Å; L193-L228 HydrophobicContact CG-CD2 4.09Å
194E81Confident89.6Confident62 Ų6228.1 Ų28.129%0.2916%0.155SC..Hα-helixtrans-57.6-42.9172.8-77.2178.3-176.400111.3D190 R191 G196 R356D190-E194 WeakPolarHBondContact O-CG 3.48Å; D190-E194 PolarHBondContact O-N 3.49Å; R191-E194 WeakPolarHBondContact CD-OE2 3.29Å; R191-E194 IonicContact CZ-OE2 3.27Å; R191-E194 IonicContact NH1-OE2 3.58Å; R191-E194 PolarHBondContact NH1-OE2 3.31Å; R191-E194 PolarHBondContact O-N 3.43Å; E194-G196 PolarHBondContact O-N 3.1Å; E194-R356 IonicContact OE1-CZ 2.68Å; E194-R356 IonicContact OE1-NH1 3.39Å; E194-R356 IonicContact OE1-NH2 3.82Å; E194-R356 PolarHBondContact OE1-NH2 3.25Å; E194-R356 IonicContact OE2-CZ 3.49Å; E194-R356 IonicContact OE2-NH1 3.25Å; E194-R356 PolarHBondContact OE2-NH1 3.07Å; E194-R356 IonicContact OE2-NH2 3.46Å; E194-R356 PolarHBondContact OE2-NH2 2.87Å
195M80.1Confident89.3Confident84 Ų8429.2 Ų29.241%0.41416%0.161SC..THydrogen-bonded Turntrans-73.3-3.9177.9-68.7-177.570.300113.3P86 R191 L193 F197P86-M195 HydrophobicContact CB-SD 3.92Å; R191-M195 HydrophobicContact CG-CG 4.31Å; R191-M195 HydrophobicContact CG-SD 3.97Å; R191-M195 WeakPolarHBondContact O-CB 3.37Å; R191-M195 VanDerWaalsContact O-CG 3.3Å; R191-M195 WeakPolarHBondContact O-CG 3.39Å; R191-M195 PolarHBondContact O-N 3.04Å; L193-M195 VanDerWaalsContact C-N 3.3Å; L193-M195 PolarHBondContact O-N 3.16Å; M195-F197 HydrophobicContact CB-CD2 3.68Å; M195-F197 HydrophobicContact CB-CE2 3.61Å; M195-F197 HydrophobicContact CB-CZ 4.48Å; M195-F197 HydrophobicContact CE-CE2 3.71Å; M195-F197 HydrophobicContact CE-CZ 4.07Å; M195-F197 HydrophobicContact CG-CE2 4.36Å; M195-F197 HydrophobicContact SD-CE2 3.92Å
196G84.6Confident88.9Confident40 Ų4033.3 Ų33.341%0.41219%0.189SC..THydrogen-bonded Turntrans78.224.5177.100000114.1L193 E194 E198 Q200L193-G196 PolarHBondContact O-N 2.63Å; E194-G196 PolarHBondContact O-N 3.1Å; G196-E198 PolarHBondContact O-N 3.4Å; G196-Q200 PolarHBondContact O-OE1 2.76Å
197F88.1Confident88.6Confident36 Ų3635.9 Ų35.916%0.15820%0.201CC..THydrogen-bonded Turntrans-77.8-0.5178.6-68.2-59.8000114.5P150 L192 M195 S199 Q200 I201P150-F197 HydrophobicContact CB-CB 4.06Å; P150-F197 HydrophobicContact CB-CD1 4.11Å; P150-F197 HydrophobicContact CB-CG 4.13Å; P150-F197 HydrophobicContact CG-CB 4.01Å; P150-F197 HydrophobicContact CG-CD1 4.39Å; P150-F197 HydrophobicContact CG-CD2 4.29Å; P150-F197 HydrophobicContact CG-CG 4Å; L192-F197 HydrophobicContact CD2-CD2 4.12Å; L192-F197 VanDerWaalsContact O-CB 3.32Å; L192-F197 WeakPolarHBondContact O-CB 3.49Å; L192-F197 PolarHBondContact O-N 2.87Å; M195-F197 HydrophobicContact CB-CD2 3.68Å; M195-F197 HydrophobicContact CB-CE2 3.61Å; M195-F197 HydrophobicContact CB-CZ 4.48Å; M195-F197 HydrophobicContact CE-CE2 3.71Å; M195-F197 HydrophobicContact CE-CZ 4.07Å; M195-F197 HydrophobicContact CG-CE2 4.36Å; M195-F197 HydrophobicContact SD-CE2 3.92Å; F197-S199 VanDerWaalsContact C-N 3.28Å; F197-S199 PolarHBondContact O-N 3Å; F197-Q200 VanDerWaalsContact C-OE1 3.31Å; F197-Q200 VanDerWaalsContact CA-OE1 3.25Å; F197-Q200 PolarHBondContact O-N 3.07Å; F197-Q200 PolarHBondContact O-OE1 2.98Å; F197-I201 HydrophobicContact CB-CD1 4.11Å; F197-I201 HydrophobicContact CB-CG1 4.38Å; F197-I201 WeakPolarHBondContact O-CG1 3.4Å; F197-I201 PolarHBondContact O-N 3.07Å
198E88.8Confident88.5Confident84 Ų8436.2 Ų36.239%0.39320%0.202SC..Hα-helixtrans-50.5-45.5-177.3-170.6-177.7159.800112.8L193 G196 Q200 I201 N202 R224L193-E198 HydrophobicContact CD2-CB 3.9Å; L193-E198 HydrophobicContact CD2-CG 4.02Å; G196-E198 PolarHBondContact O-N 3.4Å; E198-Q200 PolarHBondContact O-N 2.91Å; E198-I201 PolarHBondContact O-N 3.18Å; E198-N202 WeakPolarHBondContact O-CB 3.15Å; E198-N202 VanDerWaalsContact O-CG 3.27Å; E198-N202 PolarHBondContact O-N 3.22Å; E198-N202 PolarHBondContact O-ND2 3.43Å; E198-R224 IonicContact OE2-CZ 3.52Å; E198-R224 IonicContact OE2-NE 3.47Å; E198-R224 IonicContact OE2-NH2 3.92Å; E198-R224 PolarHBondContact OE2-NH2 3.31Å
199S89.6Confident88.7Confident69 Ų6937.6 Ų37.648%0.48321%0.212SC..Hα-helixtrans-64.3-38178.7650000113.3F197 T203F197-S199 VanDerWaalsContact C-N 3.28Å; F197-S199 PolarHBondContact O-N 3Å; S199-T203 PolarHBondContact O-N 3.27Å; S199-T203 VanDerWaalsContact O-N 3.07Å; S199-T203 PolarHBondContact O-OG1 2.9Å
200Q91.3Very high88.5Confident50 Ų5047.5 Ų47.523%0.23426%0.255CS..Hα-helixtrans-72.2-40.8178.2-66.875.81100110.2P150 N154 G196 F197 E198 T203 I204P150-Q200 HydrophobicContact CB-CB 4.11Å; N154-Q200 HydrophobicContact CB-CB 4.09Å; N154-Q200 HydrophobicContact CB-CG 4.16Å; G196-Q200 PolarHBondContact O-OE1 2.76Å; F197-Q200 VanDerWaalsContact C-OE1 3.31Å; F197-Q200 VanDerWaalsContact CA-OE1 3.25Å; F197-Q200 PolarHBondContact O-N 3.07Å; F197-Q200 PolarHBondContact O-OE1 2.98Å; E198-Q200 PolarHBondContact O-N 2.91Å; Q200-T203 PolarHBondContact O-N 3.02Å; Q200-I204 WeakPolarHBondContact O-CD1 3.34Å; Q200-I204 VanDerWaalsContact O-CG1 3.23Å; Q200-I204 WeakPolarHBondContact O-CG1 3.33Å; Q200-I204 PolarHBondContact O-N 3.04Å
201I93.1Very high88.7Confident0 Ų055.8 Ų55.80%029%0.293CS..Hα-helixtrans-61.4-50.9175.5-68.6167.6000109.6L84 P150 L192 F197 E198 T203 I204 L205 L228L84-I201 HydrophobicContact CD1-CG1 4.5Å; P150-I201 HydrophobicContact CB-CG1 4.16Å; P150-I201 HydrophobicContact CG-CD1 4.49Å; P150-I201 HydrophobicContact CG-CG1 4.18Å; L192-I201 HydrophobicContact CB-CD1 3.84Å; L192-I201 HydrophobicContact CD1-CD1 4.08Å; L192-I201 HydrophobicContact CD2-CD1 4.38Å; L192-I201 HydrophobicContact CG-CD1 4.35Å; F197-I201 HydrophobicContact CB-CD1 4.11Å; F197-I201 HydrophobicContact CB-CG1 4.38Å; F197-I201 WeakPolarHBondContact O-CG1 3.4Å; F197-I201 PolarHBondContact O-N 3.07Å; E198-I201 PolarHBondContact O-N 3.18Å; I201-T203 PolarHBondContact O-N 3.45Å; I201-I204 CarbonylContact O-C 3.55Å; I201-I204 WeakPolarHBondContact O-CB 3.47Å; I201-I204 PolarHBondContact O-N 3.39Å; I201-L205 HydrophobicContact CG2-CD1 3.87Å; I201-L205 HydrophobicContact CG2-CG 4Å; I201-L205 WeakPolarHBondContact O-CB 3.45Å; I201-L205 VanDerWaalsContact O-CG 3.26Å; I201-L205 WeakPolarHBondContact O-CG 3.42Å; I201-L205 PolarHBondContact O-N 2.99Å; I201-L228 HydrophobicContact CG2-CD1 4.09Å
202N90.5Very high89.2Confident74 Ų7456.3 Ų56.340%0.39630%0.295SS..Hα-helixtrans-57.8-38.6177.4-71.1-18.6000112.4E198 S206E198-N202 WeakPolarHBondContact O-CB 3.15Å; E198-N202 VanDerWaalsContact O-CG 3.27Å; E198-N202 PolarHBondContact O-N 3.22Å; E198-N202 PolarHBondContact O-ND2 3.43Å; N202-S206 PolarHBondContact O-N 3.39Å; N202-S206 VanDerWaalsContact O-N 3.16Å
203T90Very high89.5Confident47 Ų4759.1 Ų59.129%0.28831%0.306SS..Hα-helixtrans-63.8-48.5173.9-55.10000110.9N154 S199 Q200 I201 L205 S206 F207N154-T203 WeakPolarHBondContact OD1-CB 3.43Å; N154-T203 WeakPolarHBondContact OD1-CG2 3.44Å; S199-T203 PolarHBondContact O-N 3.27Å; S199-T203 VanDerWaalsContact O-N 3.07Å; S199-T203 PolarHBondContact O-OG1 2.9Å; Q200-T203 PolarHBondContact O-N 3.02Å; I201-T203 PolarHBondContact O-N 3.45Å; T203-L205 PolarHBondContact O-N 2.88Å; T203-S206 WeakPolarHBondContact O-CB 3.33Å; T203-S206 PolarHBondContact O-N 2.84Å; T203-S206 PolarHBondContact O-OG 3.28Å; T203-F207 HydrophobicContact CG2-CE2 4.03Å; T203-F207 WeakPolarHBondContact O-CD2 3.19Å
204I91.7Very high89.9Confident0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-58.4-50.6177.1-68.3158.8000110.4L82 L84 P150 L153 N154 I157 Q200 I201 S206 F207 L208L82-I204 HydrophobicContact CD2-CG2 3.95Å; L84-I204 HydrophobicContact CD1-CD1 4.19Å; L84-I204 HydrophobicContact CD1-CG2 4.45Å; L84-I204 HydrophobicContact CD2-CD1 4.49Å; P150-I204 HydrophobicContact CB-CD1 4.11Å; L153-I204 HydrophobicContact CB-CD1 4.3Å; L153-I204 HydrophobicContact CD2-CD1 4.02Å; L153-I204 HydrophobicContact CD2-CG1 4.23Å; L153-I204 HydrophobicContact CD2-CG2 4.08Å; L153-I204 HydrophobicContact CG-CD1 4.25Å; L153-I204 HydrophobicContact CG-CG1 4.34Å; N154-I204 HydrophobicContact CB-CD1 4.44Å; N154-I204 HydrophobicContact CB-CG1 4.45Å; I157-I204 HydrophobicContact CD1-CG1 4.01Å; Q200-I204 WeakPolarHBondContact O-CD1 3.34Å; Q200-I204 VanDerWaalsContact O-CG1 3.23Å; Q200-I204 WeakPolarHBondContact O-CG1 3.33Å; Q200-I204 PolarHBondContact O-N 3.04Å; I201-I204 CarbonylContact O-C 3.55Å; I201-I204 WeakPolarHBondContact O-CB 3.47Å; I201-I204 PolarHBondContact O-N 3.39Å; I204-S206 PolarHBondContact O-N 3.03Å; I204-S206 VanDerWaalsContact O-N 3.13Å; I204-F207 PolarHBondContact O-N 3Å; I204-L208 HydrophobicContact CG2-CD1 4.31Å; I204-L208 HydrophobicContact CG2-CD2 4.45Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å
205L91.2Very high90.6Very high23 Ų2356 Ų5612%0.1229%0.292CS..Hα-helixtrans-54.4-32.9179.8-68.5-179.5000112.4L184 I201 T203 F207 L208L184-L205 HydrophobicContact CD2-CD2 3.43Å; L184-L205 VanDerWaalsContact CD2-CD2 3.43Å; I201-L205 HydrophobicContact CG2-CD1 3.87Å; I201-L205 HydrophobicContact CG2-CG 4Å; I201-L205 WeakPolarHBondContact O-CB 3.45Å; I201-L205 VanDerWaalsContact O-CG 3.26Å; I201-L205 WeakPolarHBondContact O-CG 3.42Å; I201-L205 PolarHBondContact O-N 2.99Å; T203-L205 PolarHBondContact O-N 2.88Å; L205-F207 VanDerWaalsContact C-N 3.25Å; L205-F207 PolarHBondContact O-N 2.92Å; L205-L208 HydrophobicContact CD2-CD1 4.07Å; L205-L208 PolarHBondContact O-N 3.46Å
206S89.6Confident91.3Very high86 Ų8652.2 Ų52.260%0.60127%0.273SS*.Hα-helixtrans-66.4-23.1178.279.10000114.2N202 T203 I204N202-S206 PolarHBondContact O-N 3.39Å; N202-S206 VanDerWaalsContact O-N 3.16Å; T203-S206 WeakPolarHBondContact O-CB 3.33Å; T203-S206 PolarHBondContact O-N 2.84Å; T203-S206 PolarHBondContact O-OG 3.28Å; I204-S206 PolarHBondContact O-N 3.03Å; I204-S206 VanDerWaalsContact O-N 3.13Å
207F89.6Confident91.7Very high54 Ų5450.3 Ų50.324%0.23725%0.253CS..THydrogen-bonded Turntrans-94-5.9176.5-66.2-78000113.3I157 I175 T203 I204 L205I157-F207 HydrophobicContact CG2-CD2 3.76Å; I157-F207 HydrophobicContact CG2-CE2 3.55Å; I157-F207 HydrophobicContact CG2-CG 4.38Å; I157-F207 HydrophobicContact CG2-CZ 3.98Å; I175-F207 HydrophobicContact CD1-CD1 4.38Å; I175-F207 HydrophobicContact CD1-CE1 4.14Å; I175-F207 HydrophobicContact CG2-CD1 3.91Å; I175-F207 HydrophobicContact CG2-CE1 4.46Å; T203-F207 HydrophobicContact CG2-CE2 4.03Å; T203-F207 WeakPolarHBondContact O-CD2 3.19Å; I204-F207 PolarHBondContact O-N 3Å; L205-F207 VanDerWaalsContact C-N 3.25Å; L205-F207 PolarHBondContact O-N 2.92Å
208L92.7Very high91.7Very high11 Ų1148.8 Ų48.86%0.05825%0.247CC..SBendtrans-90.8146.8-177.3-56.6-171.1000111.4L178 M181 L184 I204 L205 K210 R212L178-L208 HydrophobicContact CB-CD2 3.93Å; L178-L208 HydrophobicContact CD1-CD2 4.17Å; L178-L208 HydrophobicContact CD2-CD2 3.92Å; L178-L208 HydrophobicContact CG-CD2 4.21Å; M181-L208 HydrophobicContact CE-CD1 4.2Å; M181-L208 HydrophobicContact CE-CD2 3.33Å; M181-L208 HydrophobicContact CE-CG 4.33Å; M181-L208 HydrophobicContact SD-CD1 3.78Å; M181-L208 HydrophobicContact SD-CD2 3.85Å; M181-L208 HydrophobicContact SD-CG 4.27Å; L184-L208 HydrophobicContact CD1-CD1 4.04Å; L184-L208 HydrophobicContact CD2-CD1 3.85Å; L184-L208 HydrophobicContact CG-CD1 4.4Å; I204-L208 HydrophobicContact CG2-CD1 4.31Å; I204-L208 HydrophobicContact CG2-CD2 4.45Å; I204-L208 HydrophobicContact CG2-CG 4.41Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; L205-L208 HydrophobicContact CD2-CD1 4.07Å; L205-L208 PolarHBondContact O-N 3.46Å; L208-K210 PolarHBondContact O-N 3.38Å; L208-R212 VanDerWaalsContact CB-NH1 3.26Å
209P92.5Very high91.2Very high33 Ų3345.5 Ų45.521%0.21423%0.234CC..  trans-60.9137.8175.425.3-33.9000110.8L178 M181 Q211 R212L178-P209 WeakPolarHBondContact O-CD 3.34Å; M181-P209 HydrophobicContact CB-CG 4.13Å; M181-P209 WeakPolarHBondContact O-CG 3.29Å; P209-Q211 VanDerWaalsContact C-N 3.27Å; P209-Q211 PolarHBondContact O-N 2.98Å; P209-R212 WeakPolarHBondContact O-CD 3.47Å; P209-R212 WeakPolarHBondContact O-CG 3.37Å; P209-R212 PolarHBondContact O-NH1 2.93Å
210K88Confident90.5Very high208 Ų20842.6 Ų42.690%0.90421%0.214SC*.SBendtrans-63.7-33.7178.8-66.9-174179.8-178.60112.4L208 R212L208-K210 PolarHBondContact O-N 3.38Å; K210-R212 PolarHBondContact O-N 3.15Å
211Q90.5Very high89.5Confident177 Ų17744.4 Ų44.483%0.82722%0.222SC*.SBendtrans-91.997.5175.6-175.2173.1-3.800109.1P209P209-Q211 VanDerWaalsContact C-N 3.27Å; P209-Q211 PolarHBondContact O-N 2.98Å
212R93.6Very high88.7Confident41 Ų4146.6 Ų46.616%0.15524%0.235CC..  trans-154.1158.8176.363.2-177.8-176.6-98.9-4.9108.4L208 P209 K210L208-R212 VanDerWaalsContact CB-NH1 3.26Å; P209-R212 WeakPolarHBondContact O-CD 3.47Å; P209-R212 WeakPolarHBondContact O-CG 3.37Å; P209-R212 PolarHBondContact O-NH1 2.93Å; K210-R212 PolarHBondContact O-N 3.15Å
213R94.6Very high88.1Confident59 Ų5948 Ų4822%0.22325%0.246CC..EExtended strand (participates in β ladder)trans-84.4135.8168.6-65.7169.4-171.396.9-0.6108.8S42 D44 I66 E182 V183 L184S42-R213 PolarHBondContact OG-NE 3.48Å; S42-R213 PolarHBondContact OG-NH2 2.81Å; D44-R213 WeakPolarHBondContact OD1-CA 3.22Å; I66-R213 VanDerWaalsContact CG2-NH1 3.31Å; E182-R213 PolarHBondContact O-N 3.01Å; E182-R213 IonicContact OE2-NH1 3.26Å; V183-R213 CarbonylContact C-O 3.28Å; V183-R213 VanDerWaalsContact CA-O 3.31Å; V183-R213 WeakPolarHBondContact CA-O 3.46Å; L184-R213 PolarHBondContact N-O 3.25Å
214T96.4Very high87.7Confident1 Ų150.5 Ų50.51%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-126.8124.4-179.5-53.80000110.7D44 V45 L184 L233D44-T214 VanDerWaalsContact CA-O 3.3Å; D44-T214 WeakPolarHBondContact CA-O 3.48Å; D44-T214 WeakPolarHBondContact CB-O 3.31Å; D44-T214 PolarHBondContact OD1-N 2.93Å; V45-T214 PolarHBondContact N-O 3.07Å; L184-T214 HydrophobicContact CB-CG2 4.23Å; L184-T214 HydrophobicContact CD2-CG2 3.98Å; L184-T214 HydrophobicContact CG-CG2 4.18Å; L184-T214 CarbonylContact O-C 3.58Å; L184-T214 VanDerWaalsContact O-CA 3.26Å; L184-T214 WeakPolarHBondContact O-CA 3.34Å; T214-L233 HydrophobicContact CG2-CD1 3.52Å; T214-L233 HydrophobicContact CG2-CG 3.74Å
215G96.3Very high87.3Confident0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-111.2117.2174.200000110.5V45 L184 I185 L186V45-G215 CarbonylContact O-C 3.56Å; V45-G215 WeakPolarHBondContact O-CA 3.49Å; L184-G215 PolarHBondContact O-N 3.4Å; I185-G215 CarbonylContact C-O 3.55Å; I185-G215 VanDerWaalsContact CA-O 3.29Å; I185-G215 WeakPolarHBondContact CA-O 3.39Å; L186-G215 PolarHBondContact N-O 2.76Å
216L95.1Very high87Confident4 Ų452.2 Ų52.22%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-103.2126.3172-177.6147.4000109V45 A46 A47 L186 A189 V225 L228 V229 L233V45-L216 PolarHBondContact O-N 3.01Å; A46-L216 CarbonylContact C-O 3.58Å; A46-L216 WeakPolarHBondContact CA-O 3.31Å; A47-L216 PolarHBondContact N-O 3.3Å; L186-L216 HydrophobicContact CB-CG 4.5Å; L186-L216 HydrophobicContact CD1-CD1 4.32Å; A189-L216 HydrophobicContact CB-CD1 3.76Å; A189-L216 HydrophobicContact CB-CD2 3.83Å; A189-L216 HydrophobicContact CB-CG 3.6Å; L216-V225 HydrophobicContact CD1-CG1 4.42Å; L216-V225 HydrophobicContact CD2-CG1 3.82Å; L216-L228 HydrophobicContact CD1-CD2 3.94Å; L216-L228 HydrophobicContact CD1-CG 4.08Å; L216-V229 HydrophobicContact CD1-CG2 3.7Å; L216-V229 HydrophobicContact CD2-CG2 4.08Å; L216-V229 HydrophobicContact CG-CG2 4.36Å; L216-L233 HydrophobicContact CB-CD1 4.26Å; L216-L233 HydrophobicContact CB-CD2 4.12Å
217F93.4Very high86.9Confident0 Ų052.3 Ų52.30%025%0.252CS..EExtended strand (participates in β ladder)trans-120.5126.9179.9-65.7-97000109.1V35 L39 A47 K55 A58 F59 I185 L186 E188 A189V35-F217 HydrophobicContact CG1-CE1 3.89Å; V35-F217 HydrophobicContact CG1-CZ 3.69Å; V35-F217 HydrophobicContact CG2-CE1 4.42Å; L39-F217 HydrophobicContact CD1-CZ 4.41Å; A47-F217 HydrophobicContact CB-CD1 3.68Å; A47-F217 HydrophobicContact CB-CE1 3.68Å; A47-F217 HydrophobicContact CB-CG 4.47Å; A47-F217 HydrophobicContact CB-CZ 4.43Å; A47-F217 WeakPolarHBondContact O-CA 3.49Å; K55-F217 HydrophobicContact CB-CD1 4.21Å; K55-F217 HydrophobicContact CD-CD1 4.48Å; K55-F217 HydrophobicContact CG-CD1 4.45Å; A58-F217 HydrophobicContact CB-CE1 4.36Å; F59-F217 HydrophobicContact CB-CD2 4.28Å; F59-F217 HydrophobicContact CB-CE1 4.33Å; F59-F217 HydrophobicContact CB-CE2 3.53Å; F59-F217 HydrophobicContact CB-CZ 3.56Å; F59-F217 HydrophobicContact CD1-CD1 4.08Å; F59-F217 AromaticContact CD1-CD2 3.74Å; F59-F217 HydrophobicContact CD1-CD2 3.74Å; F59-F217 HydrophobicContact CD1-CE1 4.13Å; F59-F217 AromaticContact CD1-CE2 3.83Å; F59-F217 HydrophobicContact CD1-CE2 3.83Å; F59-F217 AromaticContact CD1-CG 3.9Å; F59-F217 HydrophobicContact CD1-CG 3.9Å; F59-F217 HydrophobicContact CD1-CZ 4.03Å; F59-F217 HydrophobicContact CE1-CD2 4.47Å; F59-F217 HydrophobicContact CE1-CG 4.44Å; F59-F217 HydrophobicContact CG-CD2 4.36Å; F59-F217 HydrophobicContact CG-CE2 4.08Å; F59-F217 HydrophobicContact CG-CZ 4.3Å; I185-F217 HydrophobicContact CD1-CE2 4.22Å; I185-F217 HydrophobicContact CG2-CD2 3.9Å; I185-F217 HydrophobicContact CG2-CE2 4.09Å; L186-F217 PolarHBondContact O-N 3.5Å; E188-F217 WeakPolarHBondContact CA-O 3.25Å; E188-F217 PolarHBondContact N-O 3.46Å; A189-F217 PolarHBondContact N-O 3.21Å
218S87.9Confident86.7Confident4 Ų450.1 Ų50.13%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-145.1163.9175-172.60000110.5A47 E48 A49 K55 D190 T220A47-S218 PolarHBondContact O-N 3.35Å; E48-S218 WeakPolarHBondContact CA-O 3.05Å; A49-S218 PolarHBondContact N-O 3.36Å; A49-S218 VanDerWaalsContact N-O 3.15Å; K55-S218 PolarHBondContact NZ-O 2.88Å; D190-S218 WeakPolarHBondContact CB-OG 3.48Å; D190-S218 PolarHBondContact OD1-OG 3.26Å; D190-S218 PolarHBondContact OD2-OG 2.91Å; S218-T220 PolarHBondContact OG-N 3.2Å; S218-T220 PolarHBondContact OG-O 3.43Å; S218-T220 VanDerWaalsContact OG-O 3.04Å
219A78.3Confident86.4Confident15 Ų1550.1 Ų50.112%0.12424%0.243CC..SBendtrans-95.5-14.5169.800000112.1
220T73.4Confident86Confident8 Ų856.9 Ų56.95%0.04927%0.265CS..SBendtrans-136.3137.7-179.4650000111.5E48 D190 S218E48-T220 WeakPolarHBondContact OE1-CA 3.31Å; D190-T220 WeakPolarHBondContact CB-OG1 3.4Å; D190-T220 PolarHBondContact OD2-OG1 2.92Å; S218-T220 PolarHBondContact OG-N 3.2Å; S218-T220 PolarHBondContact OG-O 3.43Å; S218-T220 VanDerWaalsContact OG-O 3.04Å
221Q71.2Confident85.6Confident88 Ų8850.4 Ų50.441%0.41125%0.25SS..  trans-86.1111.2164.7-75-174.879.400110.2E48E48-Q221 PolarHBondContact OE1-N 3.14Å; E48-Q221 WeakPolarHBondContact OE2-CG 3.22Å; E48-Q221 PolarHBondContact OE2-NE2 2.73Å
222T76.2Confident85.2Confident45 Ų4542.4 Ų42.428%0.27622%0.215SC..  trans-116.4156.9169.666.40000109.5R224 V225 E226T222-R224 PolarHBondContact O-N 3.49Å; T222-V225 WeakPolarHBondContact O-CA 3.3Å; T222-V225 WeakPolarHBondContact O-CB 3.43Å; T222-V225 PolarHBondContact O-N 2.84Å; T222-V225 VanDerWaalsContact OG1-CG2 3.28Å; T222-V225 WeakPolarHBondContact OG1-CG2 3.49Å; T222-V225 PolarHBondContact OG1-N 3.48Å; T222-E226 PolarHBondContact O-N 3.42Å
223T77.7Confident84.9Confident103 Ų10341.2 Ų41.263%0.63221%0.211SC*.Hα-helixtrans-53.5-39.7178.453.10000112.4V225 E226 D227T223-V225 VanDerWaalsContact C-N 3.33Å; T223-V225 PolarHBondContact O-N 3.5Å; T223-E226 WeakPolarHBondContact O-CA 3.39Å; T223-E226 WeakPolarHBondContact O-CB 3.43Å; T223-E226 PolarHBondContact O-N 3.29Å; T223-E226 VanDerWaalsContact O-N 3.1Å; T223-D227 PolarHBondContact O-N 2.92Å
224R82Confident84.5Confident101 Ų10148.3 Ų48.338%0.38124%0.238SC..Hα-helixtrans-65.8-35.3176.7-62.8-174.467.3-158.8-3.5112.6L193 E198 T222 E226 D227 L228L193-R224 HydrophobicContact CD1-CB 3.88Å; L193-R224 WeakPolarHBondContact CD1-O 3.29Å; L193-R224 PolarHBondContact O-NH1 3.36Å; L193-R224 PolarHBondContact O-NH2 3.12Å; E198-R224 IonicContact OE2-CZ 3.52Å; E198-R224 IonicContact OE2-NE 3.47Å; E198-R224 IonicContact OE2-NH2 3.92Å; E198-R224 PolarHBondContact OE2-NH2 3.31Å; T222-R224 PolarHBondContact O-N 3.49Å; R224-E226 VanDerWaalsContact C-N 3.33Å; R224-D227 PolarHBondContact O-N 3.43Å; R224-L228 WeakPolarHBondContact O-CB 3.18Å; R224-L228 PolarHBondContact O-N 3.47Å
225V83Confident84.1Confident6 Ų655.4 Ų55.44%0.03628%0.276CS..Hα-helixtrans-66.3-40.3172.3173.90000109.6D190 L193 L216 T222 T223 D227 L228 V229D190-V225 VanDerWaalsContact CA-CG2 3.5Å; D190-V225 HydrophobicContact CB-CG2 3.81Å; L193-V225 HydrophobicContact CD1-CB 4.48Å; L193-V225 HydrophobicContact CD1-CG2 3.94Å; L216-V225 HydrophobicContact CD1-CG1 4.42Å; L216-V225 HydrophobicContact CD2-CG1 3.82Å; T222-V225 WeakPolarHBondContact O-CA 3.3Å; T222-V225 WeakPolarHBondContact O-CB 3.43Å; T222-V225 PolarHBondContact O-N 2.84Å; T222-V225 VanDerWaalsContact OG1-CG2 3.28Å; T222-V225 WeakPolarHBondContact OG1-CG2 3.49Å; T222-V225 PolarHBondContact OG1-N 3.48Å; T223-V225 VanDerWaalsContact C-N 3.33Å; T223-V225 PolarHBondContact O-N 3.5Å; V225-D227 PolarHBondContact O-N 2.95Å; V225-L228 CarbonylContact O-C 3.52Å; V225-L228 WeakPolarHBondContact O-CB 3.39Å; V225-L228 PolarHBondContact O-N 2.97Å; V225-V229 HydrophobicContact CG1-CG2 4.43Å; V225-V229 VanDerWaalsContact O-CG2 3.28Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 2.72Å
226E86Confident83.9Confident52 Ų5257 Ų5724%0.24329%0.287CS..Hα-helixtrans-63.1-40175.5-60.3-159.5117.800112.8T222 T223 R224 L228 V229 R230 R238T222-E226 PolarHBondContact O-N 3.42Å; T223-E226 WeakPolarHBondContact O-CA 3.39Å; T223-E226 WeakPolarHBondContact O-CB 3.43Å; T223-E226 PolarHBondContact O-N 3.29Å; T223-E226 VanDerWaalsContact O-N 3.1Å; R224-E226 VanDerWaalsContact C-N 3.33Å; E226-L228 VanDerWaalsContact C-N 3.33Å; E226-V229 WeakPolarHBondContact O-CB 3.14Å; E226-V229 PolarHBondContact O-N 2.92Å; E226-R230 WeakPolarHBondContact O-CG 3.35Å; E226-R230 PolarHBondContact O-N 3.34Å; E226-R238 IonicContact OE1-CZ 2.88Å; E226-R238 IonicContact OE1-NH1 2.73Å; E226-R238 PolarHBondContact OE1-NH1 3.17Å; E226-R238 IonicContact OE1-NH2 3.4Å; E226-R238 PolarHBondContact OE1-NH2 3.31Å; E226-R238 VanDerWaalsContact OE1-NH2 3.08Å
227D85.6Confident83.7Confident89 Ų8959 Ų5948%0.47630%0.299SS..Hα-helixtrans-63.4-41.4174.3-68.3-28.1000111.2T223 R224 V225 V229 R230 A231T223-D227 PolarHBondContact O-N 2.92Å; R224-D227 PolarHBondContact O-N 3.43Å; V225-D227 PolarHBondContact O-N 2.95Å; D227-V229 VanDerWaalsContact C-N 3.32Å; D227-V229 PolarHBondContact O-N 3.01Å; D227-R230 PolarHBondContact O-N 3Å; D227-A231 VanDerWaalsContact O-CB 3.31Å; D227-A231 WeakPolarHBondContact O-CB 3.25Å; D227-A231 PolarHBondContact O-N 3.19Å
228L85.4Confident83.6Confident8 Ų865.1 Ų65.14%0.04232%0.322CS..Hα-helixtrans-63.8-38.1173.6-178.264.5000111.8L186 A189 L193 I201 L216 R224 V225 E226 A231 G232L186-L228 HydrophobicContact CD1-CD1 4.41Å; L186-L228 HydrophobicContact CD1-CD2 4.08Å; L186-L228 HydrophobicContact CD1-CG 4.27Å; A189-L228 HydrophobicContact CB-CD2 4.23Å; L193-L228 HydrophobicContact CD1-CB 4.03Å; L193-L228 HydrophobicContact CD1-CD2 3.94Å; L193-L228 HydrophobicContact CD2-CD2 4.12Å; L193-L228 HydrophobicContact CG-CD2 4.09Å; I201-L228 HydrophobicContact CG2-CD1 4.09Å; L216-L228 HydrophobicContact CD1-CD2 3.94Å; L216-L228 HydrophobicContact CD1-CG 4.08Å; R224-L228 WeakPolarHBondContact O-CB 3.18Å; R224-L228 PolarHBondContact O-N 3.47Å; V225-L228 CarbonylContact O-C 3.52Å; V225-L228 WeakPolarHBondContact O-CB 3.39Å; V225-L228 PolarHBondContact O-N 2.97Å; E226-L228 VanDerWaalsContact C-N 3.33Å; L228-A231 PolarHBondContact O-N 3.46Å; L228-G232 WeakPolarHBondContact O-CA 3.34Å; L228-G232 PolarHBondContact O-N 2.99Å
229V86.7Confident83.6Confident10 Ų1065.7 Ų65.76%0.06133%0.325CS..Hα-helixtrans-61-48.7173.9169.50000110.1A46 L216 V225 E226 D227 A231 G232 L233 P236A46-V229 HydrophobicContact CB-CG1 4.38Å; A46-V229 HydrophobicContact CB-CG2 4.07Å; L216-V229 HydrophobicContact CD1-CG2 3.7Å; L216-V229 HydrophobicContact CD2-CG2 4.08Å; L216-V229 HydrophobicContact CG-CG2 4.36Å; V225-V229 HydrophobicContact CG1-CG2 4.43Å; V225-V229 VanDerWaalsContact O-CG2 3.28Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 2.72Å; E226-V229 WeakPolarHBondContact O-CB 3.14Å; E226-V229 PolarHBondContact O-N 2.92Å; D227-V229 VanDerWaalsContact C-N 3.32Å; D227-V229 PolarHBondContact O-N 3.01Å; V229-A231 VanDerWaalsContact C-N 3.34Å; V229-A231 PolarHBondContact O-N 3.06Å; V229-G232 PolarHBondContact O-N 2.8Å; V229-L233 HydrophobicContact CG1-CD2 4.39Å; V229-L233 WeakPolarHBondContact O-CB 3.38Å; V229-L233 PolarHBondContact O-N 3.34Å; V229-P236 HydrophobicContact CG1-CB 4.45Å; V229-P236 HydrophobicContact CG1-CG 3.57Å
230R84.8Confident83.9Confident175 Ų17568.1 Ų68.166%0.6634%0.339SS*.Hα-helixtrans-64.7-36.4179.6-69.8171.9-176.7177.42.7112.8E226 D227E226-R230 WeakPolarHBondContact O-CG 3.35Å; E226-R230 PolarHBondContact O-N 3.34Å; D227-R230 PolarHBondContact O-N 3Å
231A80Confident84Confident73 Ų7369 Ų6960%0.60334%0.344SS*.Hα-helixtrans-79.5-32.4-18000000113.1D227 L228 V229D227-A231 VanDerWaalsContact O-CB 3.31Å; D227-A231 WeakPolarHBondContact O-CB 3.25Å; D227-A231 PolarHBondContact O-N 3.19Å; L228-A231 PolarHBondContact O-N 3.46Å; V229-A231 VanDerWaalsContact C-N 3.34Å; V229-A231 PolarHBondContact O-N 3.06Å
232G81.6Confident83.8Confident8 Ų867 Ų678%0.08234%0.339CS..Hα-helixtrans-101-28.8-169.900000115.7L228 V229L228-G232 WeakPolarHBondContact O-CA 3.34Å; L228-G232 PolarHBondContact O-N 2.99Å; V229-G232 PolarHBondContact O-N 2.8Å
233L87Confident82.8Confident16 Ų1668.9 Ų68.98%0.08435%0.345CS..  trans-115.1151.7-170.2-71.164.1000111.5D44 V45 A46 T214 L216 V229 P236D44-L233 HydrophobicContact CB-CB 4.12Å; D44-L233 HydrophobicContact CB-CD2 4.27Å; D44-L233 HydrophobicContact CB-CG 4.23Å; D44-L233 WeakPolarHBondContact OD2-CA 3.43Å; V45-L233 WeakPolarHBondContact O-CD2 3.44Å; A46-L233 HydrophobicContact CB-CD2 4.31Å; T214-L233 HydrophobicContact CG2-CD1 3.52Å; T214-L233 HydrophobicContact CG2-CG 3.74Å; L216-L233 HydrophobicContact CB-CD1 4.26Å; L216-L233 HydrophobicContact CB-CD2 4.12Å; V229-L233 HydrophobicContact CG1-CD2 4.39Å; V229-L233 WeakPolarHBondContact O-CB 3.38Å; V229-L233 PolarHBondContact O-N 3.34Å; L233-P236 HydrophobicContact CB-CB 3.88Å; L233-P236 HydrophobicContact CB-CG 3.93Å; L233-P236 HydrophobicContact CD2-CB 3.57Å; L233-P236 HydrophobicContact CD2-CG 4.2Å; L233-P236 HydrophobicContact CG-CB 4.34Å
234R86.4Confident81.3Confident208 Ų20871 Ų7179%0.78535%0.348SS*.SBendtrans-108.6110.9177.7-179.7178.9174163.2-1.5110.7D44D44-R234 PolarHBondContact OD2-N 3.44Å
235N87.6Confident79.4Confident151 Ų15168.7 Ų68.781%0.80735%0.345SS*.SBendtrans44.557.9-178.5-17034.5000113
236P91.8Very high77.5Confident34 Ų3476.3 Ų76.322%0.22138%0.38CS..PPolyproline II helixtrans-71.2141-171.729.1-34.1000112.3D44 V229 L233D44-P236 HydrophobicContact CB-CB 4.11Å; D44-P236 CarbonylContact O-C 3.46Å; D44-P236 WeakPolarHBondContact O-CA 3.31Å; V229-P236 HydrophobicContact CG1-CB 4.45Å; V229-P236 HydrophobicContact CG1-CG 3.57Å; L233-P236 HydrophobicContact CB-CB 3.88Å; L233-P236 HydrophobicContact CB-CG 3.93Å; L233-P236 HydrophobicContact CD2-CB 3.57Å; L233-P236 HydrophobicContact CD2-CG 4.2Å; L233-P236 HydrophobicContact CG-CB 4.34Å
237V92.8Very high75.4Confident45 Ų4581.6 Ų81.627%0.27340%0.403SS..EExtended strand (participates in β ladder)trans-77.1125.2166.5-179.30000108.6L38 K43 D44 V45 A46 V239L38-V237 HydrophobicContact CD1-CB 4.32Å; L38-V237 HydrophobicContact CD1-CG1 3.81Å; L38-V237 HydrophobicContact CD2-CG1 4.23Å; L38-V237 HydrophobicContact CD2-CG2 4.35Å; K43-V237 HydrophobicContact CB-CG2 4.2Å; K43-V237 HydrophobicContact CD-CG2 3.63Å; K43-V237 HydrophobicContact CG-CG2 4.49Å; D44-V237 PolarHBondContact O-N 3.1Å; V45-V237 WeakPolarHBondContact CA-O 3.42Å; A46-V237 PolarHBondContact N-O 3.43Å; V237-V239 HydrophobicContact CG1-CG2 4.25Å
238R90Very high73.3Confident129 Ų12978.7 Ų78.749%0.48739%0.386SS..EExtended strand (participates in β ladder)trans-84.1127.2173.1-64-171.9-179.7-154.50.4109.2A46 E226A46-R238 WeakPolarHBondContact O-CA 3.37Å; E226-R238 IonicContact OE1-CZ 2.88Å; E226-R238 IonicContact OE1-NH1 2.73Å; E226-R238 PolarHBondContact OE1-NH1 3.17Å; E226-R238 IonicContact OE1-NH2 3.4Å; E226-R238 PolarHBondContact OE1-NH2 3.31Å; E226-R238 VanDerWaalsContact OE1-NH2 3.08Å
239V88.6Confident71.4Confident15 Ų1584.1 Ų84.19%0.09141%0.414CS..EExtended strand (participates in β ladder)trans-123.2112.7175.7-179.70000107.4V35 L38 V45 A46 A47 E48 V237 V241V35-V239 HydrophobicContact CG2-CB 4.47Å; V35-V239 HydrophobicContact CG2-CG1 4.26Å; L38-V239 HydrophobicContact CD1-CG2 3.45Å; L38-V239 VanDerWaalsContact CD1-CG2 3.45Å; V45-V239 HydrophobicContact CG1-CG2 4.06Å; A46-V239 PolarHBondContact O-N 3.09Å; A47-V239 CarbonylContact C-O 3.55Å; A47-V239 WeakPolarHBondContact CA-O 3.3Å; E48-V239 PolarHBondContact N-O 3.47Å; V237-V239 HydrophobicContact CG1-CG2 4.25Å; V239-V241 HydrophobicContact CG1-CG2 4.03Å
240T84.4Confident69.4Low67 Ų6791.8 Ų91.841%0.41145%0.45SS..EExtended strand (participates in β ladder)trans-110.9119.8174.1-60.60000108.2E48E48-T240 HydrophobicContact CB-CG2 4.46Å; E48-T240 WeakPolarHBondContact O-CA 3.43Å
241V75.3Confident67.3Low26 Ų2686.9 Ų86.916%0.15844%0.441CS..EExtended strand (participates in β ladder)trans-111.4102.7176.4-176.60000108.4P30 V31 E48 A49 V239P30-V241 HydrophobicContact CB-CG1 4Å; V31-V241 HydrophobicContact CB-CG2 4.03Å; V31-V241 HydrophobicContact CG2-CG2 4.23Å; E48-V241 PolarHBondContact O-N 2.7Å; A49-V241 HydrophobicContact CB-CB 4.13Å; V239-V241 HydrophobicContact CG1-CG2 4.03Å
242S66.6Low65.5Low45 Ų4588.9 Ų88.932%0.31545%0.446SS..  trans-98.6140.7170.5-58.30000109.5Q244S242-Q244 PolarHBondContact O-N 3.33Å
243Q56.3Low63.5Low85 Ų8595.7 Ų95.740%0.39748%0.48SS..  trans-78.1110.6166.5-75.7-171.4-49.200107.4I50I50-Q243 HydrophobicContact CD1-CG 4.06Å
244Q46.3Very low61.3Low147 Ų14798.8 Ų98.869%0.68750%0.497SS*.  trans-83.6127.4169.7-68.9178.1-13.100108.8S242 E248S242-Q244 PolarHBondContact O-N 3.33Å; Q244-E248 WeakPolarHBondContact CA-OE2 3.4Å
245T40.8Very low59.2Low53 Ų5394.2 Ų94.233%0.32549%0.494SS..  trans-81.2154.9168.6-59.40000109.3K247 E248 Q259T245-K247 HydrophobicContact CG2-CB 4.45Å; T245-K247 PolarHBondContact O-N 3.06Å; T245-K247 VanDerWaalsContact O-N 3.09Å; T245-E248 WeakPolarHBondContact O-CB 3.49Å; T245-E248 PolarHBondContact O-N 3.2Å; T245-Q259 PolarHBondContact OG1-OE1 3.12Å
246Q43.5Very low57.2Low166 Ų16689.5 Ų89.578%0.77647%0.473SS*.Hα-helixtrans-51.8-30.7172.9-83173.8-22.800113.7E248 L249Q246-E248 PolarHBondContact O-N 3.33Å; Q246-L249 WeakPolarHBondContact O-CB 3.28Å; Q246-L249 PolarHBondContact O-N 3.35Å
247K41.2Very low54.9Low164 Ų16491.6 Ų91.671%0.71348%0.482SS*.Hα-helixtrans-62.8-24.6173.6-82.9-173.5172-1760114T245 E250T245-K247 HydrophobicContact CG2-CB 4.45Å; T245-K247 PolarHBondContact O-N 3.06Å; T245-K247 VanDerWaalsContact O-N 3.09Å; K247-E250 PolarHBondContact O-N 2.84Å
248E42.9Very low52.9Low27 Ų2794 Ų9413%0.12649%0.49CS..Hα-helixtrans-82.4-20.4176.6-75.5164.3-149.900112.8Q244 T245 Q246 E250 C251 V252 L257Q244-E248 WeakPolarHBondContact CA-OE2 3.4Å; T245-E248 WeakPolarHBondContact O-CB 3.49Å; T245-E248 PolarHBondContact O-N 3.2Å; Q246-E248 PolarHBondContact O-N 3.33Å; E248-E250 PolarHBondContact O-N 3.41Å; E248-C251 CarbonylContact O-C 3.54Å; E248-C251 VanDerWaalsContact O-C 3.24Å; E248-C251 PolarHBondContact O-N 3.21Å; E248-V252 PolarHBondContact O-N 2.99Å; E248-L257 HydrophobicContact CG-CB 4.28Å; E248-L257 HydrophobicContact CG-CD2 3.94Å
249L44.1Very low51.2Low122 Ų12290.8 Ų90.864%0.63948%0.481SS*.Hα-helixtrans-64.1-23.3169.4-74.8161.4000111.5Q246 V252Q246-L249 WeakPolarHBondContact O-CB 3.28Å; Q246-L249 PolarHBondContact O-N 3.35Å; L249-V252 WeakPolarHBondContact O-CG2 3.06Å
250E46.5Very low50Low172 Ų17294.2 Ų94.280%0.80449%0.492SS*.Hα-helixtrans-86.3-23.4172.4-65.4178.2171.800112.4K247 E248K247-E250 PolarHBondContact O-N 2.84Å; E248-E250 PolarHBondContact O-N 3.41Å
251C40.3Very low49.3Very low72 Ų7291.3 Ų91.349%0.48647%0.474SS..  trans-116.454.6-177.2-630000112.1E248 N253E248-C251 CarbonylContact O-C 3.54Å; E248-C251 VanDerWaalsContact O-C 3.24Å; E248-C251 PolarHBondContact O-N 3.21Å; C251-N253 PolarHBondContact O-N 3.31Å
252V40.9Very low49.1Very low114 Ų11490.7 Ų90.769%0.69147%0.47SS*.THydrogen-bonded Turntrans-61.3-16.4-174.5177.40000114.1E248 L249E248-V252 PolarHBondContact O-N 2.99Å; L249-V252 WeakPolarHBondContact O-CG2 3.06Å
253N39.5Very low49.3Very low151 Ų15192.5 Ų92.581%0.80748%0.483SS*.THydrogen-bonded Turntrans-1054.3-169.3-69-18.2000115.9C251 P255C251-N253 PolarHBondContact O-N 3.31Å; N253-P255 WeakPolarHBondContact O-CD 3.24Å
254D42Very low50.5Low82 Ų8289.9 Ų89.944%0.43948%0.476SS..  trans-105.895.8175.5-159.6-15.1000111.9S256 L257D254-S256 PolarHBondContact O-N 2.86Å; D254-S256 WeakPolarHBondContact OD1-CB 3.39Å; D254-S256 PolarHBondContact OD1-N 2.95Å; D254-S256 PolarHBondContact OD1-OG 3.38Å; D254-S256 PolarHBondContact OD2-OG 3.38Å; D254-L257 HydrophobicContact CB-CD1 4.32Å; D254-L257 PolarHBondContact O-N 3.07Å
255P41.1Very low52.4Low111 Ų11183.6 Ų83.672%0.72145%0.447SS*.G310 helixtrans-62-8.7175.324.5-32.1000113.4N253 L257N253-P255 WeakPolarHBondContact O-CD 3.24Å; P255-L257 VanDerWaalsContact C-N 3.31Å
256S46Very low54.8Low53 Ų5386.2 Ų86.237%0.37146%0.455SS..G310 helixtrans-74.5-16.1177.276.20000114.1D254 Q258 Q414D254-S256 PolarHBondContact O-N 2.86Å; D254-S256 WeakPolarHBondContact OD1-CB 3.39Å; D254-S256 PolarHBondContact OD1-N 2.95Å; D254-S256 PolarHBondContact OD1-OG 3.38Å; D254-S256 PolarHBondContact OD2-OG 3.38Å; S256-Q258 VanDerWaalsContact C-N 3.3Å; S256-Q258 PolarHBondContact O-N 3.36Å; S256-Q414 WeakPolarHBondContact O-CG 3.36Å
257L43.6Very low57.1Low77 Ų7778.9 Ų78.940%0.40342%0.422SS..G310 helixtrans-86.922.9-175.7-106.9114.6000115E248 D254 P255 Q259E248-L257 HydrophobicContact CG-CB 4.28Å; E248-L257 HydrophobicContact CG-CD2 3.94Å; D254-L257 HydrophobicContact CB-CD1 4.32Å; D254-L257 PolarHBondContact O-N 3.07Å; P255-L257 VanDerWaalsContact C-N 3.31Å; L257-Q259 PolarHBondContact O-N 3.4Å
258Q50.3Low59.7Low97 Ų9772.3 Ų72.345%0.45339%0.393SS..  trans-66.394.1173.2-75.5179.3-7.900110.9S256 R260S256-Q258 VanDerWaalsContact C-N 3.3Å; S256-Q258 PolarHBondContact O-N 3.36Å; Q258-R260 PolarHBondContact O-N 2.91Å; Q258-R260 VanDerWaalsContact O-N 3.07Å
259Q54.8Low62.2Low60 Ų6073.3 Ų73.328%0.2840%0.396SS..  trans-64.3111.5177.8-162.1174.87.900110.2T245 L257 I261T245-Q259 PolarHBondContact OG1-OE1 3.12Å; L257-Q259 PolarHBondContact O-N 3.4Å; Q259-I261 PolarHBondContact O-N 3.08Å
260R63.8Low64.6Low88 Ų8867.5 Ų67.533%0.33237%0.366SS..  trans-81.3-1.3-179.1-64.7-176.8174.7-171.5-2.8113.9I50 Q258 V379I50-R260 WeakPolarHBondContact CG2-O 3.28Å; Q258-R260 PolarHBondContact O-N 2.91Å; Q258-R260 VanDerWaalsContact O-N 3.07Å; R260-V379 HydrophobicContact CB-CG1 4.06Å
261I70.3Confident66.8Low6 Ų661.5 Ų61.53%0.03134%0.339CS..SBendtrans-125.3145.7-167.2-69.1-178.5000110Q259 S263 L265 V379 V415Q259-I261 PolarHBondContact O-N 3.08Å; I261-S263 PolarHBondContact O-N 2.89Å; I261-L265 HydrophobicContact CG2-CB 3.76Å; I261-L265 HydrophobicContact CG2-CD2 3.32Å; I261-L265 HydrophobicContact CG2-CG 4.03Å; I261-V379 HydrophobicContact CD1-CG1 4.47Å; I261-V379 HydrophobicContact CG1-CG1 3.84Å; I261-V415 HydrophobicContact CD1-CB 3.97Å; I261-V415 HydrophobicContact CD1-CG1 3.39Å; I261-V415 HydrophobicContact CD1-CG2 3.33Å; I261-V415 HydrophobicContact CG1-CG2 4.32Å
262P69.5Low69.3Low13 Ų1358.1 Ų58.18%0.08432%0.316CS..  trans-56.5136173.2-23.433.9000112.8A264 L265 A386P262-A264 VanDerWaalsContact C-N 3.25Å; P262-A264 PolarHBondContact O-N 3.46Å; P262-L265 VanDerWaalsContact O-CB 3.27Å; P262-L265 WeakPolarHBondContact O-CB 3.23Å; P262-L265 PolarHBondContact O-N 3.04Å; P262-A386 HydrophobicContact CB-CB 4.22Å; P262-A386 WeakPolarHBondContact CB-O 3.39Å
263S71.4Confident71.7Confident82 Ų8254.3 Ų54.357%0.57329%0.29SS*.THydrogen-bonded Turntrans-60.8-30-178.254.90000114.4I261 L265I261-S263 PolarHBondContact O-N 2.89Å; S263-L265 PolarHBondContact O-N 3.21Å
264A81.2Confident74.2Confident31 Ų3147.5 Ų47.526%0.25626%0.255SS..THydrogen-bonded Turntrans-80.63.5177.600000114P262 A386 G392P262-A264 VanDerWaalsContact C-N 3.25Å; P262-A264 PolarHBondContact O-N 3.46Å; A264-A386 HydrophobicContact CB-CB 4.4Å; A264-G392 PolarHBondContact O-N 3.45Å
265L86.2Confident76.5Confident14 Ų1445.7 Ų45.77%0.07325%0.245CC..EExtended strand (participates in β ladder)trans-88.9119.5177-175.662.2000111.1I261 P262 S263 N267 C382 T385 A386 G392 A394I261-L265 HydrophobicContact CG2-CB 3.76Å; I261-L265 HydrophobicContact CG2-CD2 3.32Å; I261-L265 HydrophobicContact CG2-CG 4.03Å; P262-L265 VanDerWaalsContact O-CB 3.27Å; P262-L265 WeakPolarHBondContact O-CB 3.23Å; P262-L265 PolarHBondContact O-N 3.04Å; S263-L265 PolarHBondContact O-N 3.21Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.33Å; L265-C382 HydrophobicContact CD2-CB 3.74Å; L265-T385 HydrophobicContact CD1-CG2 3.27Å; L265-A386 HydrophobicContact CB-CB 3.66Å; L265-A386 HydrophobicContact CD1-CB 3.96Å; L265-A386 HydrophobicContact CG-CB 4.4Å; L265-G392 WeakPolarHBondContact CA-O 3.24Å; L265-G392 WeakPolarHBondContact CD1-O 3.47Å; L265-A394 HydrophobicContact CD1-CB 4.32Å
266Q90.9Very high78.8Confident108 Ų10842.1 Ų42.151%0.50522%0.219SC..EExtended strand (participates in β ladder)trans-92.7121.1167.4-62-173.3-19.200109.9F268 G392 N393 A394Q266-F268 HydrophobicContact CB-CD2 4.39Å; Q266-F268 HydrophobicContact CB-CE2 3.5Å; Q266-F268 HydrophobicContact CB-CZ 3.73Å; Q266-G392 PolarHBondContact N-O 3.18Å; Q266-N393 CarbonylContact O-C 3.24Å; Q266-N393 WeakPolarHBondContact O-CA 3.11Å; Q266-N393 PolarHBondContact OE1-OD1 3.21Å; Q266-A394 PolarHBondContact O-N 3.36Å
267N92.4Very high81.1Confident12 Ų1240.1 Ų40.16%0.06420%0.203CC..EExtended strand (participates in β ladder)trans-103.7130.5176.5-61.7-70000109.8L265 C382 A394 V415 L417 L418L265-N267 WeakPolarHBondContact CD2-OD1 3.33Å; N267-C382 WeakPolarHBondContact OD1-CB 3.23Å; N267-A394 CarbonylContact C-O 3.51Å; N267-V415 HydrophobicContact CB-CG1 4.44Å; N267-L417 HydrophobicContact CB-CG 4.1Å; N267-L417 WeakPolarHBondContact O-CA 3.37Å; N267-L418 PolarHBondContact O-N 2.99Å
268F95Very high83.4Confident27 Ų2736.8 Ų36.812%0.11819%0.186CC..EExtended strand (participates in β ladder)trans-124.2155.2-179.3-58.3-81.2000110.4Q266 W365 N393 A394 L395 L396 L418 M420Q266-F268 HydrophobicContact CB-CD2 4.39Å; Q266-F268 HydrophobicContact CB-CE2 3.5Å; Q266-F268 HydrophobicContact CB-CZ 3.73Å; F268-W365 HydrophobicContact CD2-CH2 4.23Å; F268-W365 HydrophobicContact CD2-CZ3 4.1Å; F268-W365 HydrophobicContact CE2-CH2 4.17Å; F268-W365 HydrophobicContact CE2-CZ3 4.43Å; F268-N393 HydrophobicContact CE2-CB 4.27Å; F268-A394 PolarHBondContact N-O 3.31Å; F268-L395 HydrophobicContact CB-CD1 3.68Å; F268-L395 WeakPolarHBondContact O-CA 3.34Å; F268-L396 PolarHBondContact O-N 2.9Å; F268-L418 CarbonylContact C-O 3.56Å; F268-L418 WeakPolarHBondContact CA-O 3.38Å; F268-L418 HydrophobicContact CD1-CB 3.84Å; F268-L418 HydrophobicContact CE1-CB 4.15Å; F268-L418 HydrophobicContact CE1-CD1 4.18Å; F268-M420 HydrophobicContact CB-CB 4.23Å; F268-M420 HydrophobicContact CB-CE 3.8Å; F268-M420 HydrophobicContact CD1-CB 4.37Å; F268-M420 HydrophobicContact CD1-CE 3.44Å; F268-M420 VanDerWaalsContact CD1-CE 3.44Å; F268-M420 HydrophobicContact CD2-CE 3.6Å; F268-M420 HydrophobicContact CE1-CE 3.79Å; F268-M420 HydrophobicContact CE2-CE 3.94Å; F268-M420 HydrophobicContact CG-CE 3.32Å; F268-M420 HydrophobicContact CZ-CE 4.03Å
269Y95.7Very high85.2Confident47 Ų4732.3 Ų32.318%0.18417%0.165CC..EExtended strand (participates in β ladder)trans-130.4153.6163.777.1-79.4000110.3I271 L396 V398 I406 L417 L418 H419 M420Y269-I271 HydrophobicContact CD2-CG1 4.45Å; Y269-I271 HydrophobicContact CE2-CD1 4.47Å; Y269-I271 HydrophobicContact CE2-CG1 4.17Å; Y269-L396 CarbonylContact C-O 3.52Å; Y269-L396 VanDerWaalsContact CA-O 3.26Å; Y269-L396 WeakPolarHBondContact CA-O 3.41Å; Y269-V398 HydrophobicContact CD2-CG2 3.93Å; Y269-I406 HydrophobicContact CD1-CD1 4.34Å; Y269-I406 HydrophobicContact CD1-CG1 4.46Å; Y269-I406 HydrophobicContact CD1-CG2 4.11Å; Y269-I406 HydrophobicContact CD2-CD1 3.91Å; Y269-I406 HydrophobicContact CD2-CG1 3.87Å; Y269-I406 HydrophobicContact CE1-CG2 4.09Å; Y269-I406 HydrophobicContact CE2-CG1 4.13Å; Y269-I406 HydrophobicContact CG-CD1 3.72Å; Y269-I406 HydrophobicContact CG-CG1 4.03Å; Y269-I406 HydrophobicContact CG-CG2 4.49Å; Y269-L417 HydrophobicContact CD1-CB 3.74Å; Y269-L417 HydrophobicContact CG-CB 4.45Å; Y269-L418 WeakPolarHBondContact CD1-O 3.19Å; Y269-L418 PolarHBondContact N-O 3.12Å; Y269-H419 HydrophobicContact CD1-CB 4.48Å; Y269-H419 VanDerWaalsContact CE1-CA 3.46Å; Y269-H419 HydrophobicContact CE1-CB 3.71Å; Y269-H419 HydrophobicContact CE2-CB 4.5Å; Y269-H419 AromaticContact CE2-CE1 3.96Å; Y269-H419 AromaticContact CE2-ND1 3.22Å; Y269-H419 WeakPolarHBondContact CE2-ND1 3.37Å; Y269-H419 AromaticContact CZ-CG 3.83Å; Y269-H419 AromaticContact CZ-ND1 3.19Å; Y269-H419 PolarHBondContact OH-ND1 3.17Å; Y269-H419 VanDerWaalsContact OH-ND1 3.13Å; Y269-M420 PolarHBondContact O-N 3.21Å
270T94.6Very high86.9Confident0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-136.1140.9172-168.60000109.9V272 L280 L395 L396 F397 V398 M420 L425T270-V272 HydrophobicContact CG2-CG1 4.43Å; T270-V272 PolarHBondContact O-N 3.4Å; T270-L280 HydrophobicContact CG2-CD2 3.94Å; T270-L395 HydrophobicContact CG2-CD1 4.05Å; T270-L395 HydrophobicContact CG2-CG 4.44Å; T270-L396 PolarHBondContact N-O 3.48Å; T270-F397 HydrophobicContact CG2-CD1 3.55Å; T270-F397 HydrophobicContact CG2-CE1 3.78Å; T270-F397 HydrophobicContact CG2-CG 4.49Å; T270-V398 PolarHBondContact O-N 3.03Å; T270-V398 VanDerWaalsContact O-N 3.15Å; T270-M420 WeakPolarHBondContact CB-O 3.33Å; T270-M420 PolarHBondContact OG1-O 3.27Å; T270-L425 HydrophobicContact CG2-CD1 4Å
271I93.4Very high88.2Confident46 Ų4626 Ų2624%0.23614%0.14CC..EExtended strand (participates in β ladder)trans-85.7109.2178.2-60.3176.3000108.4Y269 V398 S400 R422Y269-I271 HydrophobicContact CD2-CG1 4.45Å; Y269-I271 HydrophobicContact CE2-CD1 4.47Å; Y269-I271 HydrophobicContact CE2-CG1 4.17Å; I271-V398 CarbonylContact C-O 3.15Å; I271-V398 VanDerWaalsContact CA-O 3.27Å; I271-V398 WeakPolarHBondContact CA-O 3.19Å; I271-V398 HydrophobicContact CG1-CG2 4.25Å; I271-S400 WeakPolarHBondContact CG2-OG 3.07Å; I271-R422 VanDerWaalsContact O-CZ 3.28Å; I271-R422 PolarHBondContact O-NE 3.11Å; I271-R422 PolarHBondContact O-NH2 3.05Å
272V92Very high89.2Confident2 Ų225.8 Ų25.81%0.01214%0.139CC..  trans-134131.3-176.860.70000110.8T270 E276 K277 L280 F397 V398 T399T270-V272 HydrophobicContact CG2-CG1 4.43Å; T270-V272 PolarHBondContact O-N 3.4Å; V272-E276 HydrophobicContact CG2-CB 3.75Å; V272-K277 HydrophobicContact CG1-CG 3.94Å; V272-K277 HydrophobicContact CG2-CG 4.28Å; V272-L280 HydrophobicContact CB-CD2 4.16Å; V272-L280 HydrophobicContact CG1-CD2 4.41Å; V272-L280 HydrophobicContact CG2-CD2 4.03Å; V272-F397 HydrophobicContact CG1-CB 3.61Å; V272-F397 HydrophobicContact CG1-CD1 4.28Å; V272-F397 HydrophobicContact CG1-CD2 3.91Å; V272-F397 HydrophobicContact CG1-CG 3.69Å; V272-V398 PolarHBondContact N-O 2.87Å; V272-T399 WeakPolarHBondContact O-CA 3.46Å
273E92Very high89.9Confident33 Ų3326.8 Ų26.815%0.15414%0.141CC..  trans-73.4154.2179.4-65.2-61.6136.100111.1D275 E276 K277 S400 R488E273-D275 VanDerWaalsContact C-N 3.26Å; E273-D275 PolarHBondContact O-N 3.43Å; E273-E276 HydrophobicContact CB-CG 4.29Å; E273-E276 PolarHBondContact O-N 2.95Å; E273-K277 PolarHBondContact O-N 2.98Å; E273-S400 PolarHBondContact OE1-OG 3.48Å; E273-R488 VanDerWaalsContact CD-NH1 3.31Å; E273-R488 IonicContact OE2-CZ 3.7Å; E273-R488 IonicContact OE2-NH1 2.76Å; E273-R488 PolarHBondContact OE2-NH1 3.43Å
274S91.9Very high90.8Very high9 Ų923 Ų236%0.06311%0.114CC..THydrogen-bonded Turntrans-60.8-32.1-168-700000114.2E276S274-E276 VanDerWaalsContact C-N 3.33Å
275D91.3Very high91.2Very high44 Ų4421.5 Ų21.524%0.23510%0.102CC..THydrogen-bonded Turntrans-74.8-19.9175.446-17.9000114.2E273 R488 N491E273-D275 VanDerWaalsContact C-N 3.26Å; E273-D275 PolarHBondContact O-N 3.43Å; D275-R488 HydrophobicContact CB-CB 4.38Å; D275-R488 WeakPolarHBondContact CB-O 3.31Å; D275-N491 HydrophobicContact CB-CB 4.1Å
276E89.5Confident91.2Very high35 Ų3522.3 Ų22.316%0.16411%0.106CC..THydrogen-bonded Turntrans-98-17-173.3-57.5-180148.900113V272 E273 S274 I278 S279 L280 R422 K438V272-E276 HydrophobicContact CG2-CB 3.75Å; E273-E276 HydrophobicContact CB-CG 4.29Å; E273-E276 PolarHBondContact O-N 2.95Å; S274-E276 VanDerWaalsContact C-N 3.33Å; E276-I278 VanDerWaalsContact C-N 3.29Å; E276-I278 PolarHBondContact O-N 3.37Å; E276-S279 WeakPolarHBondContact O-CB 3.35Å; E276-S279 PolarHBondContact O-N 2.78Å; E276-S279 VanDerWaalsContact O-N 3.08Å; E276-L280 PolarHBondContact O-N 2.96Å; E276-R422 IonicContact OE1-NH1 2.76Å; E276-R422 IonicContact OE2-CZ 2.66Å; E276-R422 VanDerWaalsContact OE2-CZ 3.31Å; E276-R422 IonicContact OE2-NH1 3.74Å; E276-R422 PolarHBondContact OE2-NH1 2.99Å; E276-R422 IonicContact OE2-NH2 2.96Å; E276-R422 PolarHBondContact OE2-NH2 2.84Å; E276-K438 VanDerWaalsContact CD-NZ 3.26Å; E276-K438 HydrophobicContact CG-CD 4.17Å; E276-K438 WeakPolarHBondContact OE1-CD 3.42Å; E276-K438 VanDerWaalsContact OE1-CE 3.23Å; E276-K438 WeakPolarHBondContact OE1-CE 3.47Å; E276-K438 IonicContact OE1-NZ 3.76Å; E276-K438 PolarHBondContact OE1-NZ 3.48Å; E276-K438 IonicContact OE2-NZ 3.33Å; E276-K438 PolarHBondContact OE2-NZ 3.46Å
277K92.4Very high91Very high11 Ų1119.3 Ų19.35%0.0489%0.093CC..Hα-helixtrans-49.5-46.6-177-71.2-173.3176-166.30112.8V272 E273 L280 I281 C369 D370 F397V272-K277 HydrophobicContact CG1-CG 3.94Å; V272-K277 HydrophobicContact CG2-CG 4.28Å; E273-K277 PolarHBondContact O-N 2.98Å; K277-L280 PolarHBondContact O-N 2.85Å; K277-I281 VanDerWaalsContact O-CG1 3.31Å; K277-I281 WeakPolarHBondContact O-CG1 3.44Å; K277-I281 PolarHBondContact O-N 2.49Å; K277-C369 WeakPolarHBondContact CD-O 3.38Å; K277-C369 WeakPolarHBondContact CE-O 3.27Å; K277-C369 PolarHBondContact NZ-O 3.48Å; K277-D370 IonicContact NZ-OD1 2.68Å; K277-D370 PolarHBondContact NZ-OD1 2.8Å; K277-F397 HydrophobicContact CB-CD2 4.24Å; K277-F397 HydrophobicContact CG-CD2 4.14Å
278I92.6Very high90.8Very high7 Ų720.3 Ų20.34%0.03610%0.097CC..Hα-helixtrans-72.7-37.8-177.4-55.1-53.2000111.8E276 L280 I281 V282 F297 F306 I309 L310 L313 I445E276-I278 VanDerWaalsContact C-N 3.29Å; E276-I278 PolarHBondContact O-N 3.37Å; I278-L280 VanDerWaalsContact C-N 3.26Å; I278-L280 PolarHBondContact O-N 3.32Å; I278-I281 HydrophobicContact CD1-CD1 3.81Å; I278-I281 PolarHBondContact O-N 2.82Å; I278-V282 HydrophobicContact CG2-CG2 4.5Å; I278-V282 WeakPolarHBondContact O-CG2 3.48Å; I278-V282 PolarHBondContact O-N 3.41Å; I278-F297 HydrophobicContact CD1-CE1 4.22Å; I278-F297 HydrophobicContact CD1-CZ 4.44Å; I278-F306 HydrophobicContact CD1-CD1 3.45Å; I278-F306 VanDerWaalsContact CD1-CD1 3.45Å; I278-F306 HydrophobicContact CD1-CD2 4.3Å; I278-F306 HydrophobicContact CD1-CE1 3.42Å; I278-F306 VanDerWaalsContact CD1-CE1 3.42Å; I278-F306 HydrophobicContact CD1-CE2 4.25Å; I278-F306 HydrophobicContact CD1-CG 3.92Å; I278-F306 HydrophobicContact CD1-CZ 3.83Å; I278-F306 HydrophobicContact CG1-CD1 3.82Å; I278-F306 HydrophobicContact CG1-CE1 3.45Å; I278-F306 VanDerWaalsContact CG1-CE1 3.45Å; I278-F306 HydrophobicContact CG1-CZ 4.09Å; I278-I309 HydrophobicContact CG2-CG2 4.3Å; I278-L310 HydrophobicContact CG2-CD2 4.27Å; I278-L313 HydrophobicContact CG2-CD1 4.39Å; I278-I445 HydrophobicContact CB-CD1 4.08Å; I278-I445 HydrophobicContact CG2-CD1 3.77Å
279S88.9Confident90.4Very high3 Ų321.9 Ų21.92%0.02110%0.102CC..Hα-helixtrans-58.6-42.7173.6-58.50000110.8E276 V282 R283 I441E276-S279 WeakPolarHBondContact O-CB 3.35Å; E276-S279 PolarHBondContact O-N 2.78Å; E276-S279 VanDerWaalsContact O-N 3.08Å; S279-V282 PolarHBondContact O-N 3.12Å; S279-R283 WeakPolarHBondContact O-CG 3.34Å; S279-R283 PolarHBondContact O-N 3.36Å; S279-R283 VanDerWaalsContact O-N 3.13Å; S279-I441 WeakPolarHBondContact OG-CB 3.23Å; S279-I441 WeakPolarHBondContact OG-CG2 3.4Å
280L89.2Confident90.1Very high15 Ų1528.7 Ų28.78%0.07913%0.133CC..Hα-helixtrans-64.6-44.2175.3-172.756.9000112T270 V272 E276 K277 I278 V282 R283 F284 F397 L425T270-L280 HydrophobicContact CG2-CD2 3.94Å; V272-L280 HydrophobicContact CB-CD2 4.16Å; V272-L280 HydrophobicContact CG1-CD2 4.41Å; V272-L280 HydrophobicContact CG2-CD2 4.03Å; E276-L280 PolarHBondContact O-N 2.96Å; K277-L280 PolarHBondContact O-N 2.85Å; I278-L280 VanDerWaalsContact C-N 3.26Å; I278-L280 PolarHBondContact O-N 3.32Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 3.16Å; L280-R283 PolarHBondContact O-N 2.94Å; L280-F284 VanDerWaalsContact O-CB 3.32Å; L280-F284 WeakPolarHBondContact O-CB 3.49Å; L280-F284 PolarHBondContact O-N 3.1Å; L280-F397 HydrophobicContact CB-CE2 4.37Å; L280-F397 HydrophobicContact CB-CZ 4.29Å; L280-F397 HydrophobicContact CD2-CD1 4.45Å; L280-F397 HydrophobicContact CD2-CE1 3.77Å; L280-F397 HydrophobicContact CD2-CE2 4.06Å; L280-F397 HydrophobicContact CD2-CZ 3.56Å; L280-F397 HydrophobicContact CG-CE1 4.39Å; L280-F397 HydrophobicContact CG-CE2 4.33Å; L280-F397 HydrophobicContact CG-CZ 3.78Å; L280-L425 HydrophobicContact CD1-CB 4.16Å; L280-L425 HydrophobicContact CD1-CD1 4.28Å; L280-L425 HydrophobicContact CD2-CD1 4.35Å
281I92Very high89.9Confident0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-58.7-44.1175.8-68.7165.1000111.5K277 I278 F284 I285 I295 F297 L310 C369 F397K277-I281 VanDerWaalsContact O-CG1 3.31Å; K277-I281 WeakPolarHBondContact O-CG1 3.44Å; K277-I281 PolarHBondContact O-N 2.49Å; I278-I281 HydrophobicContact CD1-CD1 3.81Å; I278-I281 PolarHBondContact O-N 2.82Å; I281-F284 PolarHBondContact O-N 2.99Å; I281-I285 HydrophobicContact CG2-CD1 3.57Å; I281-I285 HydrophobicContact CG2-CG1 4.27Å; I281-I285 WeakPolarHBondContact O-CB 3.12Å; I281-I285 VanDerWaalsContact O-CG1 3.24Å; I281-I285 WeakPolarHBondContact O-CG1 3.33Å; I281-I285 PolarHBondContact O-N 2.98Å; I281-I295 HydrophobicContact CG2-CD1 3.87Å; I281-F297 HydrophobicContact CD1-CE1 4.38Å; I281-F297 HydrophobicContact CD1-CZ 3.93Å; I281-L310 HydrophobicContact CG2-CD1 4.08Å; I281-L310 HydrophobicContact CG2-CD2 3.99Å; I281-C369 HydrophobicContact CD1-CB 4.47Å; I281-C369 WeakPolarHBondContact CD1-SG 3.41Å; I281-F397 HydrophobicContact CD1-CE2 4.4Å; I281-F397 HydrophobicContact CG1-CE2 3.78Å; I281-F397 HydrophobicContact CG1-CZ 4.28Å
282V90.2Very high89.9Confident3 Ų329.8 Ų29.82%0.01814%0.137CC..Hα-helixtrans-58.4-51.8179169.10000109.4I278 S279 L280 F284 I285 L286 L310 L313 L314 I441I278-V282 HydrophobicContact CG2-CG2 4.5Å; I278-V282 WeakPolarHBondContact O-CG2 3.48Å; I278-V282 PolarHBondContact O-N 3.41Å; S279-V282 PolarHBondContact O-N 3.12Å; L280-V282 VanDerWaalsContact C-N 3.32Å; L280-V282 PolarHBondContact O-N 3.16Å; V282-F284 PolarHBondContact O-N 3.07Å; V282-I285 WeakPolarHBondContact O-CB 3.47Å; V282-I285 PolarHBondContact O-N 3.39Å; V282-L286 HydrophobicContact CG1-CD2 4.19Å; V282-L286 HydrophobicContact CG1-CG 4.42Å; V282-L286 VanDerWaalsContact O-CD2 3.26Å; V282-L286 WeakPolarHBondContact O-CD2 3.5Å; V282-L286 WeakPolarHBondContact O-CG 3.38Å; V282-L286 PolarHBondContact O-N 3.24Å; V282-L310 HydrophobicContact CG2-CD2 3.65Å; V282-L313 HydrophobicContact CG2-CB 4.49Å; V282-L313 HydrophobicContact CG2-CD1 3.76Å; V282-L314 HydrophobicContact CG1-CD2 4.08Å; V282-I441 HydrophobicContact CB-CD1 4.25Å; V282-I441 HydrophobicContact CG1-CD1 4.18Å
283R86.1Confident90.1Very high33 Ų3329.7 Ų29.713%0.12514%0.136CC..Hα-helixtrans-58.1-46.7178-70.4169.4176.7-167.63.3112.4S279 L280 I285 L286 M287 N426 I429 D436S279-R283 WeakPolarHBondContact O-CG 3.34Å; S279-R283 PolarHBondContact O-N 3.36Å; S279-R283 VanDerWaalsContact O-N 3.13Å; L280-R283 PolarHBondContact O-N 2.94Å; R283-I285 PolarHBondContact O-N 2.96Å; R283-L286 CarbonylContact O-C 3.6Å; R283-L286 VanDerWaalsContact O-CA 3.3Å; R283-L286 WeakPolarHBondContact O-CA 3.31Å; R283-L286 WeakPolarHBondContact O-CB 3.49Å; R283-L286 PolarHBondContact O-N 2.88Å; R283-M287 PolarHBondContact O-N 2.86Å; R283-N426 PolarHBondContact NH1-OD1 2.81Å; R283-I429 HydrophobicContact CB-CD1 3.85Å; R283-I429 HydrophobicContact CB-CG1 4.43Å; R283-I429 HydrophobicContact CG-CD1 3.57Å; R283-I429 HydrophobicContact CG-CG1 4.46Å; R283-D436 PolarHBondContact NH2-O 2.81Å
284F89.1Confident90.3Very high2 Ų228.3 Ų28.31%0.00913%0.13CC..Hα-helixtrans-58.2-47.4177.2-160.5-81.1000111.7L280 I281 V282 L286 M287 H288 I293 W365 I367 L395 L425L280-F284 VanDerWaalsContact O-CB 3.32Å; L280-F284 WeakPolarHBondContact O-CB 3.49Å; L280-F284 PolarHBondContact O-N 3.1Å; I281-F284 PolarHBondContact O-N 2.99Å; V282-F284 PolarHBondContact O-N 3.07Å; F284-L286 PolarHBondContact O-N 3.48Å; F284-M287 PolarHBondContact O-N 3.49Å; F284-M287 VanDerWaalsContact O-N 3.17Å; F284-H288 AromaticContact CD1-CD2 3.51Å; F284-H288 HydrophobicContact CE1-CB 4.33Å; F284-H288 AromaticContact CE1-CD2 3.24Å; F284-H288 WeakPolarHBondContact CE1-CD2 3.38Å; F284-H288 AromaticContact CE1-CG 3.77Å; F284-H288 AromaticContact CE1-NE2 3.76Å; F284-H288 AromaticContact CE2-CD2 3.91Å; F284-H288 AromaticContact CE2-NE2 3.74Å; F284-H288 AromaticContact CG-CD2 3.96Å; F284-H288 AromaticContact CZ-CD2 3.44Å; F284-H288 VanDerWaalsContact CZ-CD2 3.44Å; F284-H288 WeakPolarHBondContact CZ-CD2 3.46Å; F284-H288 AromaticContact CZ-NE2 3.42Å; F284-H288 WeakPolarHBondContact CZ-NE2 3.42Å; F284-H288 PolarHBondContact O-CD2 2.72Å; F284-H288 VanDerWaalsContact O-CD2 3.32Å; F284-H288 PolarHBondContact O-N 3.09Å; F284-I293 HydrophobicContact CD1-CD1 4.25Å; F284-I293 HydrophobicContact CE1-CD1 4.47Å; F284-W365 HydrophobicContact CE1-CB 4.01Å; F284-W365 AromaticContact CE1-CD2 3.95Å; F284-W365 HydrophobicContact CE1-CD2 3.95Å; F284-W365 HydrophobicContact CE1-CE3 4.26Å; F284-W365 AromaticContact CE1-CG 3.82Å; F284-W365 HydrophobicContact CE1-CG 3.82Å; F284-W365 HydrophobicContact CE2-CE3 4.36Å; F284-W365 HydrophobicContact CE2-CZ3 4.42Å; F284-W365 HydrophobicContact CZ-CB 4.38Å; F284-W365 AromaticContact CZ-CD2 3.45Å; F284-W365 HydrophobicContact CZ-CD2 3.45Å; F284-W365 VanDerWaalsContact CZ-CD2 3.45Å; F284-W365 AromaticContact CZ-CE2 3.89Å; F284-W365 AromaticContact CZ-CE3 3.49Å; F284-W365 HydrophobicContact CZ-CE3 3.49Å; F284-W365 VanDerWaalsContact CZ-CE3 3.49Å; F284-W365 AromaticContact CZ-CG 3.85Å; F284-W365 HydrophobicContact CZ-CG 3.85Å; F284-W365 HydrophobicContact CZ-CH2 4.33Å; F284-W365 HydrophobicContact CZ-CZ2 4.32Å; F284-W365 AromaticContact CZ-CZ3 3.94Å; F284-W365 HydrophobicContact CZ-CZ3 3.94Å; F284-I367 HydrophobicContact CB-CD1 4.42Å; F284-I367 HydrophobicContact CD1-CD1 3.4Å; F284-I367 VanDerWaalsContact CD1-CD1 3.4Å; F284-I367 HydrophobicContact CD1-CG1 4.36Å; F284-I367 HydrophobicContact CE1-CD1 3.75Å; F284-I367 HydrophobicContact CE1-CG1 4.24Å; F284-I367 HydrophobicContact CG-CD1 3.88Å; F284-I367 HydrophobicContact CZ-CD1 4.49Å; F284-L395 HydrophobicContact CD2-CD2 4.22Å; F284-L395 HydrophobicContact CE2-CD2 3.8Å; F284-L425 HydrophobicContact CD2-CD2 3.69Å; F284-L425 HydrophobicContact CE2-CD2 3.72Å
285I90.1Very high90.5Very high1 Ų127.9 Ų27.91%0.00513%0.127CC..Hα-helixtrans-59-31.7172.6-73.1167.3000111.3I281 V282 R283 R289 I293 I295 L310 L314 I347I281-I285 HydrophobicContact CG2-CD1 3.57Å; I281-I285 HydrophobicContact CG2-CG1 4.27Å; I281-I285 WeakPolarHBondContact O-CB 3.12Å; I281-I285 VanDerWaalsContact O-CG1 3.24Å; I281-I285 WeakPolarHBondContact O-CG1 3.33Å; I281-I285 PolarHBondContact O-N 2.98Å; V282-I285 WeakPolarHBondContact O-CB 3.47Å; V282-I285 PolarHBondContact O-N 3.39Å; R283-I285 PolarHBondContact O-N 2.96Å; I285-R289 WeakPolarHBondContact O-CD 3.48Å; I285-R289 PolarHBondContact O-NH1 3.41Å; I285-I293 HydrophobicContact CG1-CD1 4.37Å; I285-I295 HydrophobicContact CD1-CD1 4.09Å; I285-I295 HydrophobicContact CG1-CD1 4.4Å; I285-L310 HydrophobicContact CD1-CD1 4.07Å; I285-L310 HydrophobicContact CD1-CD2 4.39Å; I285-L314 HydrophobicContact CG2-CD1 3.9Å; I285-I347 HydrophobicContact CB-CD1 4.22Å; I285-I347 HydrophobicContact CD1-CD1 4.05Å; I285-I347 HydrophobicContact CD1-CG2 4.32Å; I285-I347 HydrophobicContact CG1-CD1 3.85Å; I285-I347 HydrophobicContact CG1-CG1 4.48Å; I285-I347 HydrophobicContact CG2-CD1 3.43Å; I285-I347 VanDerWaalsContact CG2-CD1 3.43Å
286L87Confident90.8Very high30 Ų3025.8 Ų25.816%0.15712%0.116CC..Hα-helixtrans-73.5-30.9178.7-46.3-162.6000114V282 R283 F284 R289 L314 I433V282-L286 HydrophobicContact CG1-CD2 4.19Å; V282-L286 HydrophobicContact CG1-CG 4.42Å; V282-L286 VanDerWaalsContact O-CD2 3.26Å; V282-L286 WeakPolarHBondContact O-CD2 3.5Å; V282-L286 WeakPolarHBondContact O-CG 3.38Å; V282-L286 PolarHBondContact O-N 3.24Å; R283-L286 CarbonylContact O-C 3.6Å; R283-L286 VanDerWaalsContact O-CA 3.3Å; R283-L286 WeakPolarHBondContact O-CA 3.31Å; R283-L286 WeakPolarHBondContact O-CB 3.49Å; R283-L286 PolarHBondContact O-N 2.88Å; F284-L286 PolarHBondContact O-N 3.48Å; L286-R289 VanDerWaalsContact CB-NH2 3.33Å; L286-R289 VanDerWaalsContact CD2-CZ 3.49Å; L286-R289 WeakPolarHBondContact O-CD 2.98Å; L286-R289 WeakPolarHBondContact O-CG 3.39Å; L286-R289 PolarHBondContact O-NE 3.41Å; L286-L314 HydrophobicContact CD2-CD2 3.28Å; L286-I433 HydrophobicContact CD1-CD1 3.72Å
287M85.3Confident91.1Very high45 Ų4524.2 Ų24.222%0.22211%0.108CC..Hα-helixtrans-82-44.9179.2-70.6162.564.600111.4R283 F284 R289 L425 H428 I429R283-M287 PolarHBondContact O-N 2.86Å; F284-M287 PolarHBondContact O-N 3.49Å; F284-M287 VanDerWaalsContact O-N 3.17Å; M287-R289 VanDerWaalsContact C-N 3.25Å; M287-R289 PolarHBondContact O-N 3.21Å; M287-L425 WeakPolarHBondContact CE-O 3.44Å; M287-H428 HydrophobicContact CE-CB 3.69Å; M287-H428 HydrophobicContact CG-CB 4.05Å; M287-H428 HydrophobicContact SD-CB 4.37Å; M287-I429 HydrophobicContact SD-CG1 4.1Å
288H88.9Confident91.2Very high33 Ų3324.2 Ų24.215%0.15311%0.11CC..  trans-88.749.2-174.9-64.5-81.6000112.6F284 K290 E291 I293 W365F284-H288 AromaticContact CD1-CD2 3.51Å; F284-H288 HydrophobicContact CE1-CB 4.33Å; F284-H288 AromaticContact CE1-CD2 3.24Å; F284-H288 WeakPolarHBondContact CE1-CD2 3.38Å; F284-H288 AromaticContact CE1-CG 3.77Å; F284-H288 AromaticContact CE1-NE2 3.76Å; F284-H288 AromaticContact CE2-CD2 3.91Å; F284-H288 AromaticContact CE2-NE2 3.74Å; F284-H288 AromaticContact CG-CD2 3.96Å; F284-H288 AromaticContact CZ-CD2 3.44Å; F284-H288 VanDerWaalsContact CZ-CD2 3.44Å; F284-H288 WeakPolarHBondContact CZ-CD2 3.46Å; F284-H288 AromaticContact CZ-NE2 3.42Å; F284-H288 WeakPolarHBondContact CZ-NE2 3.42Å; F284-H288 PolarHBondContact O-CD2 2.72Å; F284-H288 VanDerWaalsContact O-CD2 3.32Å; F284-H288 PolarHBondContact O-N 3.09Å; H288-K290 VanDerWaalsContact C-N 3.3Å; H288-K290 PolarHBondContact O-N 3.16Å; H288-E291 WeakPolarHBondContact CB-OE2 3.47Å; H288-E291 IonicContact CE1-OE2 3.85Å; H288-E291 IonicContact CG-OE2 3.52Å; H288-E291 IonicContact ND1-OE2 2.85Å; H288-E291 PolarHBondContact ND1-OE2 3.41Å; H288-E291 PolarHBondContact O-N 3.18Å; H288-I293 HydrophobicContact CB-CD1 3.74Å; H288-I293 HydrophobicContact CB-CG1 4.43Å; H288-W365 AromaticContact CE1-CE2 3.67Å; H288-W365 AromaticContact CE1-CZ2 3.95Å; H288-W365 AromaticContact CE1-NE1 3.31Å; H288-W365 PolarHBondContact CE1-NE1 2.95Å; H288-W365 VanDerWaalsContact CE1-NE1 3.31Å; H288-W365 AromaticContact ND1-CD1 3.62Å; H288-W365 AromaticContact ND1-NE1 3.29Å; H288-W365 PolarHBondContact ND1-NE1 2.96Å
289R87Confident91.3Very high60 Ų6024.7 Ų24.723%0.22611%0.113CC..THydrogen-bonded Turntrans-67.4-26.3-173.3-64.6-65.5-168.6-173.25.4114I285 L286 M287 Q318 R321I285-R289 WeakPolarHBondContact O-CD 3.48Å; I285-R289 PolarHBondContact O-NH1 3.41Å; L286-R289 VanDerWaalsContact CB-NH2 3.33Å; L286-R289 VanDerWaalsContact CD2-CZ 3.49Å; L286-R289 WeakPolarHBondContact O-CD 2.98Å; L286-R289 WeakPolarHBondContact O-CG 3.39Å; L286-R289 PolarHBondContact O-NE 3.41Å; M287-R289 VanDerWaalsContact C-N 3.25Å; M287-R289 PolarHBondContact O-N 3.21Å; R289-Q318 VanDerWaalsContact NH1-CG 3.28Å; R289-Q318 VanDerWaalsContact NH2-CD 3.26Å; R289-R321 PolarHBondContact O-NH1 2.93Å; R289-R321 PolarHBondContact O-NH2 2.91Å
290K88.6Confident91.6Very high190 Ų19025.9 Ų25.983%0.82612%0.121SC*.THydrogen-bonded Turntrans-94.1-5.6-174.2-64.6-178.5-179.3176.70112.8H288H288-K290 VanDerWaalsContact C-N 3.3Å; H288-K290 PolarHBondContact O-N 3.16Å
291E90.6Very high92Very high62 Ų6225.9 Ų25.929%0.2912%0.124SC..SBendtrans-107.2165.4-172-65.1170.297.800112.7H288 R321 W365H288-E291 WeakPolarHBondContact CB-OE2 3.47Å; H288-E291 IonicContact CE1-OE2 3.85Å; H288-E291 IonicContact CG-OE2 3.52Å; H288-E291 IonicContact ND1-OE2 2.85Å; H288-E291 PolarHBondContact ND1-OE2 3.41Å; H288-E291 PolarHBondContact O-N 3.18Å; E291-R321 PolarHBondContact O-NH2 2.95Å; E291-W365 PolarHBondContact OE1-NE1 3.5Å
292K94.2Very high92.3Very high7 Ų725.9 Ų25.93%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-86.6133.5162.9-71.4-179.8-174.3175.50110.4K341 T343 S344 G346 V360 P361 H362 G364 W365K292-K341 PolarHBondContact NZ-O 2.89Å; K292-T343 WeakPolarHBondContact CE-O 3.48Å; K292-T343 PolarHBondContact NZ-O 2.97Å; K292-S344 WeakPolarHBondContact CG-O 3.39Å; K292-G346 CarbonylContact C-O 3.38Å; K292-G346 VanDerWaalsContact CA-O 3.29Å; K292-G346 WeakPolarHBondContact CA-O 3.45Å; K292-V360 HydrophobicContact CD-CG1 4.28Å; K292-P361 WeakPolarHBondContact CD-O 3.31Å; K292-P361 PolarHBondContact NZ-O 2.81Å; K292-H362 WeakPolarHBondContact CB-O 3.39Å; K292-G364 PolarHBondContact O-N 3.49Å; K292-W365 PolarHBondContact O-N 2.91Å
293I95Very high92.6Very high0 Ų025.7 Ų25.70%012%0.123CC..EExtended strand (participates in β ladder)trans-123.4128.4178.9-48.4176000109.1F284 I285 H288 I295 G346 I347 L348 W365 I367F284-I293 HydrophobicContact CD1-CD1 4.25Å; F284-I293 HydrophobicContact CE1-CD1 4.47Å; I285-I293 HydrophobicContact CG1-CD1 4.37Å; H288-I293 HydrophobicContact CB-CD1 3.74Å; H288-I293 HydrophobicContact CB-CG1 4.43Å; I293-I295 HydrophobicContact CG2-CD1 4.16Å; I293-I295 HydrophobicContact CG2-CG1 3.75Å; I293-G346 PolarHBondContact N-O 3.34Å; I293-I347 HydrophobicContact CB-CG1 4.34Å; I293-I347 HydrophobicContact CD1-CG1 4.39Å; I293-I347 CarbonylContact O-C 3.6Å; I293-I347 WeakPolarHBondContact O-CA 3.39Å; I293-L348 PolarHBondContact O-N 3.06Å; I293-W365 CarbonylContact C-O 3.58Å; I293-W365 WeakPolarHBondContact CA-O 3.41Å; I293-W365 HydrophobicContact CG1-CB 4.5Å; I293-W365 HydrophobicContact CG2-CB 4.25Å; I293-I367 HydrophobicContact CG2-CD1 3.73Å; I293-I367 HydrophobicContact CG2-CG1 4.02Å
294L95.5Very high93.1Very high4 Ų426 Ų262%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-107122.1172.6-172.164.3000108.9F296 L348 C350 I363 W365 V366 I367 R384L294-F296 HydrophobicContact CD2-CE2 3.52Å; L294-F296 HydrophobicContact CD2-CZ 3.62Å; L294-F296 HydrophobicContact CG-CD2 4.44Å; L294-F296 HydrophobicContact CG-CE2 3.82Å; L294-F296 HydrophobicContact CG-CZ 4.12Å; L294-L348 HydrophobicContact CD1-CB 3.79Å; L294-L348 HydrophobicContact CD1-CD2 3.69Å; L294-L348 HydrophobicContact CD1-CG 3.84Å; L294-C350 WeakPolarHBondContact CD1-SG 3.13Å; L294-I363 HydrophobicContact CB-CD1 4.32Å; L294-I363 HydrophobicContact CB-CG2 4.21Å; L294-I363 HydrophobicContact CD2-CD1 4.03Å; L294-W365 PolarHBondContact N-O 3.39Å; L294-V366 HydrophobicContact CB-CG2 4.38Å; L294-V366 CarbonylContact O-C 3.59Å; L294-V366 WeakPolarHBondContact O-CA 3.42Å; L294-I367 PolarHBondContact O-N 3.29Å; L294-R384 HydrophobicContact CD2-CB 3.66Å; L294-R384 HydrophobicContact CD2-CG 3.67Å
295I97.1Very high93.5Very high0 Ų025.9 Ų25.90%013%0.126CC..EExtended strand (participates in β ladder)trans-119113.1-173.8-51.8-176.3000109.7I281 I285 I293 F297 I347 L348 L349 C350 I367 C369I281-I295 HydrophobicContact CG2-CD1 3.87Å; I285-I295 HydrophobicContact CD1-CD1 4.09Å; I285-I295 HydrophobicContact CG1-CD1 4.4Å; I293-I295 HydrophobicContact CG2-CD1 4.16Å; I293-I295 HydrophobicContact CG2-CG1 3.75Å; I295-F297 HydrophobicContact CB-CE2 4.48Å; I295-F297 HydrophobicContact CG2-CD2 4.23Å; I295-F297 HydrophobicContact CG2-CE2 3.62Å; I295-F297 HydrophobicContact CG2-CZ 4.15Å; I295-I347 HydrophobicContact CD1-CG2 3.73Å; I295-I347 HydrophobicContact CG1-CG2 4.24Å; I295-L348 PolarHBondContact N-O 3.17Å; I295-L349 HydrophobicContact CB-CG 4.42Å; I295-L349 CarbonylContact O-C 3.58Å; I295-L349 WeakPolarHBondContact O-CA 3.32Å; I295-C350 PolarHBondContact O-N 2.86Å; I295-I367 CarbonylContact C-O 3.48Å; I295-I367 WeakPolarHBondContact CA-O 3.35Å; I295-I367 HydrophobicContact CD1-CD1 4.25Å; I295-I367 HydrophobicContact CG1-CB 4.24Å; I295-I367 HydrophobicContact CG1-CD1 4.19Å; I295-I367 HydrophobicContact CG2-CB 4.29Å; I295-I367 HydrophobicContact CG2-CG2 4.45Å; I295-C369 WeakPolarHBondContact CG2-SG 3.19Å
296F97.1Very high93.9Very high0 Ų026.1 Ų26.10%013%0.127CC..EExtended strand (participates in β ladder)trans-89.4130.2177.9-72.7-81.3000111.9L294 C350 M354 A355 V366 I367 C369 R381 R384L294-F296 HydrophobicContact CD2-CE2 3.52Å; L294-F296 HydrophobicContact CD2-CZ 3.62Å; L294-F296 HydrophobicContact CG-CD2 4.44Å; L294-F296 HydrophobicContact CG-CE2 3.82Å; L294-F296 HydrophobicContact CG-CZ 4.12Å; F296-C350 WeakPolarHBondContact CA-O 3.29Å; F296-C350 WeakPolarHBondContact CE1-SG 3.2Å; F296-M354 HydrophobicContact CE1-CB 4.25Å; F296-A355 HydrophobicContact CE1-CB 3.69Å; F296-A355 HydrophobicContact CZ-CB 3.9Å; F296-V366 HydrophobicContact CD2-CG1 3.77Å; F296-V366 HydrophobicContact CE2-CG1 3.72Å; F296-I367 PolarHBondContact N-O 3.22Å; F296-C369 WeakPolarHBondContact O-CB 3.01Å; F296-C369 PolarHBondContact O-N 3.11Å; F296-R381 HydrophobicContact CD1-CG 3.91Å; F296-R381 HydrophobicContact CD2-CB 3.9Å; F296-R381 HydrophobicContact CD2-CG 3.75Å; F296-R381 HydrophobicContact CE1-CG 3.97Å; F296-R381 HydrophobicContact CE2-CB 3.77Å; F296-R381 HydrophobicContact CE2-CG 3.79Å; F296-R381 HydrophobicContact CG-CB 4.45Å; F296-R381 HydrophobicContact CG-CG 3.81Å; F296-R381 HydrophobicContact CZ-CB 4.25Å; F296-R381 HydrophobicContact CZ-CG 3.91Å; F296-R384 HydrophobicContact CE2-CG 4.3Å; F296-R384 HydrophobicContact CZ-CG 4.09Å
297F96.8Very high94.4Very high3 Ų326.6 Ų26.61%0.01313%0.127CC..  trans-116.9150.2169.6-73.8-84.8000110.7I278 I281 I295 T299 C302 V303 F306 L349 C350 C369I278-F297 HydrophobicContact CD1-CE1 4.22Å; I278-F297 HydrophobicContact CD1-CZ 4.44Å; I281-F297 HydrophobicContact CD1-CE1 4.38Å; I281-F297 HydrophobicContact CD1-CZ 3.93Å; I295-F297 HydrophobicContact CB-CE2 4.48Å; I295-F297 HydrophobicContact CG2-CD2 4.23Å; I295-F297 HydrophobicContact CG2-CE2 3.62Å; I295-F297 HydrophobicContact CG2-CZ 4.15Å; F297-T299 VanDerWaalsContact C-N 3.29Å; F297-T299 PolarHBondContact O-N 3.11Å; F297-C302 HydrophobicContact CB-CB 4.02Å; F297-C302 HydrophobicContact CD1-CB 4.2Å; F297-C302 HydrophobicContact CG-CB 4.35Å; F297-V303 HydrophobicContact CB-CG2 3.81Å; F297-V303 HydrophobicContact CD2-CG2 4.26Å; F297-V303 HydrophobicContact CG-CG2 4.42Å; F297-F306 AromaticContact CD1-CD2 3.66Å; F297-F306 HydrophobicContact CD1-CD2 3.66Å; F297-F306 HydrophobicContact CD1-CE2 4.13Å; F297-F306 HydrophobicContact CE1-CB 4.11Å; F297-F306 AromaticContact CE1-CD2 3.28Å; F297-F306 HydrophobicContact CE1-CD2 3.28Å; F297-F306 AromaticContact CE1-CE2 3.86Å; F297-F306 HydrophobicContact CE1-CE2 3.86Å; F297-F306 AromaticContact CE1-CG 3.85Å; F297-F306 HydrophobicContact CE1-CG 3.85Å; F297-F306 HydrophobicContact CE2-CB 4.3Å; F297-F306 HydrophobicContact CZ-CB 3.79Å; F297-F306 AromaticContact CZ-CD2 3.89Å; F297-F306 HydrophobicContact CZ-CD2 3.89Å; F297-F306 HydrophobicContact CZ-CG 4.02Å; F297-L349 HydrophobicContact CD2-CB 4.4Å; F297-L349 HydrophobicContact CD2-CD2 4.2Å; F297-L349 HydrophobicContact CD2-CG 4.31Å; F297-L349 HydrophobicContact CE2-CB 4.32Å; F297-L349 HydrophobicContact CE2-CD2 3.5Å; F297-L349 VanDerWaalsContact CE2-CD2 3.5Å; F297-L349 HydrophobicContact CE2-CG 3.75Å; F297-L349 HydrophobicContact CZ-CD2 4.26Å; F297-C350 PolarHBondContact N-O 2.93Å; F297-C369 HydrophobicContact CD1-CB 4.08Å; F297-C369 HydrophobicContact CE1-CB 3.99Å
298A93.9Very high94.9Very high10 Ų1026.1 Ų26.18%0.08313%0.128CC..SBendtrans-57-34.8-179.500000114.8D370 Y466 F469A298-D370 HydrophobicContact CB-CB 3.99Å; A298-D370 WeakPolarHBondContact CB-OD2 3.42Å; A298-D370 PolarHBondContact N-OD2 3.14Å; A298-Y466 HydrophobicContact CB-CD2 4Å; A298-Y466 HydrophobicContact CB-CE2 4.13Å; A298-F469 HydrophobicContact CB-CD1 3.48Å; A298-F469 VanDerWaalsContact CB-CD1 3.48Å; A298-F469 HydrophobicContact CB-CD2 4.19Å; A298-F469 HydrophobicContact CB-CE1 3.46Å; A298-F469 VanDerWaalsContact CB-CE1 3.46Å; A298-F469 HydrophobicContact CB-CE2 4.15Å; A298-F469 HydrophobicContact CB-CG 3.87Å; A298-F469 HydrophobicContact CB-CZ 3.81Å
299T95.7Very high95.3Very high17 Ų1724.6 Ų24.610%0.10412%0.121CC..SBendtrans-137.3156-172.383.20000114.3F297 A301 C302 V303 T351 S465 F469F297-T299 VanDerWaalsContact C-N 3.29Å; F297-T299 PolarHBondContact O-N 3.11Å; T299-A301 PolarHBondContact O-N 2.82Å; T299-A301 PolarHBondContact OG1-N 3.03Å; T299-C302 WeakPolarHBondContact O-CB 3.46Å; T299-C302 PolarHBondContact O-N 2.85Å; T299-C302 PolarHBondContact OG1-N 3.23Å; T299-C302 VanDerWaalsContact OG1-N 3.08Å; T299-C302 PolarHBondContact OG1-SG 3.47Å; T299-V303 PolarHBondContact O-N 3.37Å; T299-T351 VanDerWaalsContact C-CG2 3.49Å; T299-S465 PolarHBondContact OG1-OG 3.36Å; T299-F469 HydrophobicContact CG2-CB 3.76Å; T299-F469 HydrophobicContact CG2-CG 4.26Å
300C94.6Very high95.6Very high28 Ų2821.7 Ų21.719%0.18911%0.11CC..Hα-helixtrans-56.1-38.7173.1-68.90000112.7V303 D304 H326C300-V303 PolarHBondContact O-N 3.05Å; C300-D304 PolarHBondContact O-N 3.26Å; C300-H326 HydrophobicContact CB-CB 4.29Å; C300-H326 WeakPolarHBondContact CB-ND1 3.48Å; C300-H326 PolarHBondContact SG-ND1 3.27Å; C300-H326 VanDerWaalsContact SG-ND1 3.43Å
301A97.1Very high95.9Very high15 Ų1516.2 Ų16.212%0.1249%0.086CC..Hα-helixtrans-72.7-34.5-178.500000111.3T299 D304 Y305 R461 A462 S465T299-A301 PolarHBondContact O-N 2.82Å; T299-A301 PolarHBondContact OG1-N 3.03Å; A301-D304 PolarHBondContact O-N 2.8Å; A301-Y305 VanDerWaalsContact O-CB 3.22Å; A301-Y305 WeakPolarHBondContact O-CB 3.3Å; A301-Y305 PolarHBondContact O-N 3.42Å; A301-R461 HydrophobicContact CB-CG 4.16Å; A301-A462 HydrophobicContact CB-CB 4.32Å; A301-S465 WeakPolarHBondContact CB-OG 3.44Å
302C97.9Very high96Very high0 Ų015.3 Ų15.30%09%0.093CC..Hα-helixtrans-61.7-48170.2-64.70000111.2F297 T299 D304 Y305 F306F297-C302 HydrophobicContact CB-CB 4.02Å; F297-C302 HydrophobicContact CD1-CB 4.2Å; F297-C302 HydrophobicContact CG-CB 4.35Å; T299-C302 WeakPolarHBondContact O-CB 3.46Å; T299-C302 PolarHBondContact O-N 2.85Å; T299-C302 PolarHBondContact OG1-N 3.23Å; T299-C302 VanDerWaalsContact OG1-N 3.08Å; T299-C302 PolarHBondContact OG1-SG 3.47Å; C302-D304 VanDerWaalsContact C-N 3.33Å; C302-D304 PolarHBondContact O-N 2.95Å; C302-Y305 PolarHBondContact O-N 3.21Å; C302-F306 HydrophobicContact CB-CD2 4.03Å; C302-F306 HydrophobicContact CB-CE2 4.12Å; C302-F306 WeakPolarHBondContact O-CB 3.49Å; C302-F306 VanDerWaalsContact O-CD2 3.25Å; C302-F306 WeakPolarHBondContact O-CD2 3.36Å; C302-F306 PolarHBondContact O-N 3.16Å
303V97.2Very high95.8Very high0 Ų015.5 Ų15.50%010%0.095CC..Hα-helixtrans-55.5-48.1174.6171.90000111.3F297 T299 C300 Y305 Y307 R324 H326 L349 C350 T351F297-V303 HydrophobicContact CB-CG2 3.81Å; F297-V303 HydrophobicContact CD2-CG2 4.26Å; F297-V303 HydrophobicContact CG-CG2 4.42Å; T299-V303 PolarHBondContact O-N 3.37Å; C300-V303 PolarHBondContact O-N 3.05Å; V303-Y305 PolarHBondContact O-N 2.94Å; V303-Y307 WeakPolarHBondContact O-CB 3.49Å; V303-Y307 PolarHBondContact O-N 3.5Å; V303-R324 HydrophobicContact CG1-CB 3.73Å; V303-H326 HydrophobicContact CG1-CB 4.44Å; V303-L349 HydrophobicContact CG1-CB 4.15Å; V303-L349 WeakPolarHBondContact CG1-O 3.48Å; V303-C350 WeakPolarHBondContact CG2-O 3.21Å; V303-T351 HydrophobicContact CG2-CG2 3.73Å
304D96.2Very high95.5Very high39 Ų3916.2 Ų16.221%0.20910%0.099CC..Hα-helixtrans-62.6-42.5-179.8-89.5-39.1000113C300 A301 C302 C308 R324 H326C300-D304 PolarHBondContact O-N 3.26Å; A301-D304 PolarHBondContact O-N 2.8Å; C302-D304 VanDerWaalsContact C-N 3.33Å; C302-D304 PolarHBondContact O-N 2.95Å; D304-C308 PolarHBondContact O-SG 3.48Å; D304-R324 PolarHBondContact O-NH1 2.87Å; D304-R324 VanDerWaalsContact O-NH1 3.13Å; D304-R324 IonicContact OD1-CZ 3.32Å; D304-R324 IonicContact OD1-NE 2.7Å; D304-R324 PolarHBondContact OD1-NE 3.23Å; D304-R324 IonicContact OD1-NH1 3.43Å; D304-R324 PolarHBondContact OD1-NH1 3.08Å; D304-R324 IonicContact OD1-NH2 3.31Å; D304-R324 PolarHBondContact OD1-NH2 3.4Å; D304-H326 IonicContact OD1-NE2 2.73Å; D304-H326 PolarHBondContact OD1-NE2 3.43Å; D304-H326 IonicContact OD2-CE1 3.64Å; D304-H326 PolarHBondContact OD2-CE1 3.14Å; D304-H326 IonicContact OD2-NE2 3.2Å; D304-H326 PolarHBondContact OD2-NE2 3.21Å
305Y98.3Very high95.1Very high0 Ų018.9 Ų18.90%012%0.117CC..Hα-helixtrans-72.4-54.8-178.1172.4-113.8000111.6A301 C302 V303 Y307 C308 I309 C449 L455 K458 A459 A462 F493A301-Y305 VanDerWaalsContact O-CB 3.22Å; A301-Y305 WeakPolarHBondContact O-CB 3.3Å; A301-Y305 PolarHBondContact O-N 3.42Å; C302-Y305 PolarHBondContact O-N 3.21Å; V303-Y305 PolarHBondContact O-N 2.94Å; Y305-Y307 VanDerWaalsContact C-N 3.26Å; Y305-Y307 PolarHBondContact O-N 3.37Å; Y305-C308 WeakPolarHBondContact O-CA 3.32Å; Y305-C308 WeakPolarHBondContact O-CB 3.3Å; Y305-C308 PolarHBondContact O-N 3.08Å; Y305-I309 HydrophobicContact CD1-CG1 4.36Å; Y305-I309 HydrophobicContact CD2-CG1 4.18Å; Y305-I309 HydrophobicContact CE1-CG1 3.83Å; Y305-I309 HydrophobicContact CE2-CD1 3.75Å; Y305-I309 HydrophobicContact CE2-CG1 3.62Å; Y305-I309 VanDerWaalsContact CZ-CG1 3.41Å; Y305-I309 PolarHBondContact O-N 3.35Å; Y305-I309 WeakPolarHBondContact OH-CD1 3.2Å; Y305-C449 PolarHBondContact OH-SG 2.94Å; Y305-L455 HydrophobicContact CD2-CD1 3.83Å; Y305-L455 HydrophobicContact CE2-CD1 3.75Å; Y305-L455 HydrophobicContact CE2-CG 4.19Å; Y305-K458 HydrophobicContact CD2-CB 3.93Å; Y305-A459 HydrophobicContact CD2-CB 3.97Å; Y305-A459 HydrophobicContact CE1-CB 4.24Å; Y305-A459 HydrophobicContact CE2-CB 3.35Å; Y305-A462 HydrophobicContact CD1-CB 4.04Å; Y305-A462 HydrophobicContact CG-CB 4.02Å; Y305-F493 HydrophobicContact CD1-CD1 4.25Å; Y305-F493 HydrophobicContact CE1-CD1 4.19Å; Y305-F493 PolarHBondContact OH-O 2.99Å
306F98Very high94.5Very high6 Ų625 Ų253%0.02615%0.149CC..Hα-helixtrans-68.2-26.4-178-68.3-58.3000112.8I278 F297 C302 C308 I309 L310 L349 F493I278-F306 HydrophobicContact CD1-CD1 3.45Å; I278-F306 VanDerWaalsContact CD1-CD1 3.45Å; I278-F306 HydrophobicContact CD1-CD2 4.3Å; I278-F306 HydrophobicContact CD1-CE1 3.42Å; I278-F306 VanDerWaalsContact CD1-CE1 3.42Å; I278-F306 HydrophobicContact CD1-CE2 4.25Å; I278-F306 HydrophobicContact CD1-CG 3.92Å; I278-F306 HydrophobicContact CD1-CZ 3.83Å; I278-F306 HydrophobicContact CG1-CD1 3.82Å; I278-F306 HydrophobicContact CG1-CE1 3.45Å; I278-F306 VanDerWaalsContact CG1-CE1 3.45Å; I278-F306 HydrophobicContact CG1-CZ 4.09Å; F297-F306 AromaticContact CD1-CD2 3.66Å; F297-F306 HydrophobicContact CD1-CD2 3.66Å; F297-F306 HydrophobicContact CD1-CE2 4.13Å; F297-F306 HydrophobicContact CE1-CB 4.11Å; F297-F306 AromaticContact CE1-CD2 3.28Å; F297-F306 HydrophobicContact CE1-CD2 3.28Å; F297-F306 AromaticContact CE1-CE2 3.86Å; F297-F306 HydrophobicContact CE1-CE2 3.86Å; F297-F306 AromaticContact CE1-CG 3.85Å; F297-F306 HydrophobicContact CE1-CG 3.85Å; F297-F306 HydrophobicContact CE2-CB 4.3Å; F297-F306 HydrophobicContact CZ-CB 3.79Å; F297-F306 AromaticContact CZ-CD2 3.89Å; F297-F306 HydrophobicContact CZ-CD2 3.89Å; F297-F306 HydrophobicContact CZ-CG 4.02Å; C302-F306 HydrophobicContact CB-CD2 4.03Å; C302-F306 HydrophobicContact CB-CE2 4.12Å; C302-F306 WeakPolarHBondContact O-CB 3.49Å; C302-F306 VanDerWaalsContact O-CD2 3.25Å; C302-F306 WeakPolarHBondContact O-CD2 3.36Å; C302-F306 PolarHBondContact O-N 3.16Å; F306-C308 VanDerWaalsContact C-N 3.33Å; F306-C308 PolarHBondContact O-N 3.21Å; F306-I309 HydrophobicContact CD1-CB 4.45Å; F306-I309 HydrophobicContact CD1-CG1 4.5Å; F306-I309 PolarHBondContact O-N 3.49Å; F306-L310 WeakPolarHBondContact O-CB 3.42Å; F306-L310 VanDerWaalsContact O-CG 3.31Å; F306-L310 WeakPolarHBondContact O-CG 3.48Å; F306-L310 PolarHBondContact O-N 2.93Å; F306-L349 HydrophobicContact CB-CD2 4.2Å; F306-F493 HydrophobicContact CE2-CD1 4.43Å; F306-F493 AromaticContact CE2-CE1 3.85Å; F306-F493 HydrophobicContact CE2-CE1 3.85Å; F306-F493 HydrophobicContact CE2-CE2 4.19Å; F306-F493 AromaticContact CE2-CZ 3.74Å; F306-F493 HydrophobicContact CE2-CZ 3.74Å; F306-F493 AromaticContact CZ-CD1 3.93Å; F306-F493 HydrophobicContact CZ-CD1 3.93Å; F306-F493 AromaticContact CZ-CD2 3.91Å; F306-F493 HydrophobicContact CZ-CD2 3.91Å; F306-F493 AromaticContact CZ-CE1 3.78Å; F306-F493 HydrophobicContact CZ-CE1 3.78Å; F306-F493 AromaticContact CZ-CE2 3.76Å; F306-F493 HydrophobicContact CZ-CE2 3.76Å; F306-F493 HydrophobicContact CZ-CG 4.02Å; F306-F493 AromaticContact CZ-CZ 3.71Å; F306-F493 HydrophobicContact CZ-CZ 3.71Å
307Y97Very high94Very high40 Ų4033.6 Ų33.616%0.15719%0.187CC..Hα-helixtrans-57.3-45.1165.5170.5-96.2000112.2V303 Y305 K311 I322 R324V303-Y307 WeakPolarHBondContact O-CB 3.49Å; V303-Y307 PolarHBondContact O-N 3.5Å; Y305-Y307 VanDerWaalsContact C-N 3.26Å; Y305-Y307 PolarHBondContact O-N 3.37Å; Y307-K311 HydrophobicContact CD1-CD 4.42Å; Y307-K311 HydrophobicContact CD2-CD 4.28Å; Y307-K311 HydrophobicContact CE1-CD 3.82Å; Y307-K311 HydrophobicContact CE2-CD 3.63Å; Y307-K311 HydrophobicContact CE2-CG 4.4Å; Y307-K311 WeakPolarHBondContact O-CB 3.07Å; Y307-K311 VanDerWaalsContact O-CG 3.28Å; Y307-K311 WeakPolarHBondContact O-CG 3.31Å; Y307-K311 PolarHBondContact O-N 2.83Å; Y307-K311 WeakPolarHBondContact OH-CD 3.48Å; Y307-K311 PolarHBondContact OH-NZ 3Å; Y307-K311 VanDerWaalsContact OH-NZ 3.14Å; Y307-I322 HydrophobicContact CD2-CG2 3.66Å; Y307-I322 HydrophobicContact CE2-CG2 3.93Å; Y307-R324 HydrophobicContact CD1-CG 4.33Å; Y307-R324 VanDerWaalsContact CD1-NH1 3.33Å; Y307-R324 HydrophobicContact CD2-CB 3.75Å; Y307-R324 HydrophobicContact CD2-CG 3.82Å; Y307-R324 HydrophobicContact CE2-CB 4.4Å; Y307-R324 HydrophobicContact CE2-CG 4.16Å; Y307-R324 HydrophobicContact CG-CB 4.05Å; Y307-R324 HydrophobicContact CG-CG 3.92Å
308C96.3Very high93.5Very high35 Ų3535.8 Ų35.824%0.23620%0.197CC..Hα-helixtrans-66.7-41.4176.5-69.30000111.5D304 Y305 F306 G312 L455 K458D304-C308 PolarHBondContact O-SG 3.48Å; Y305-C308 WeakPolarHBondContact O-CA 3.32Å; Y305-C308 WeakPolarHBondContact O-CB 3.3Å; Y305-C308 PolarHBondContact O-N 3.08Å; F306-C308 VanDerWaalsContact C-N 3.33Å; F306-C308 PolarHBondContact O-N 3.21Å; C308-G312 PolarHBondContact O-N 3.23Å; C308-L455 HydrophobicContact CB-CD1 3.6Å; C308-K458 PolarHBondContact SG-NZ 2.82Å
309I96.2Very high93.2Very high0 Ų035.7 Ų35.70%020%0.195CC..Hα-helixtrans-63.1-54.9178.9-66.7-61.4000111.7I278 Y305 F306 K311 G312 L313 I445 L448 L455I278-I309 HydrophobicContact CG2-CG2 4.3Å; Y305-I309 HydrophobicContact CD1-CG1 4.36Å; Y305-I309 HydrophobicContact CD2-CG1 4.18Å; Y305-I309 HydrophobicContact CE1-CG1 3.83Å; Y305-I309 HydrophobicContact CE2-CD1 3.75Å; Y305-I309 HydrophobicContact CE2-CG1 3.62Å; Y305-I309 VanDerWaalsContact CZ-CG1 3.41Å; Y305-I309 PolarHBondContact O-N 3.35Å; Y305-I309 WeakPolarHBondContact OH-CD1 3.2Å; F306-I309 HydrophobicContact CD1-CB 4.45Å; F306-I309 HydrophobicContact CD1-CG1 4.5Å; F306-I309 PolarHBondContact O-N 3.49Å; I309-K311 PolarHBondContact O-N 2.88Å; I309-G312 CarbonylContact O-C 3.49Å; I309-G312 WeakPolarHBondContact O-CA 3.49Å; I309-G312 PolarHBondContact O-N 2.89Å; I309-L313 HydrophobicContact CG2-CD1 3.63Å; I309-L313 HydrophobicContact CG2-CG 4.1Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.5Å; I309-I445 HydrophobicContact CD1-CG2 3.88Å; I309-I445 HydrophobicContact CG1-CG2 4.45Å; I309-I445 HydrophobicContact CG2-CD1 4.13Å; I309-I445 HydrophobicContact CG2-CG1 3.77Å; I309-I445 HydrophobicContact CG2-CG2 4.28Å; I309-L448 HydrophobicContact CD1-CD1 4.35Å; I309-L455 HydrophobicContact CD1-CD1 4.15Å; I309-L455 HydrophobicContact CD1-CD2 3.95Å; I309-L455 HydrophobicContact CD1-CG 4.26Å
310L95.2Very high92.9Very high0 Ų041.5 Ų41.50%022%0.219CC..Hα-helixtrans-59.2-37.6-179-67.8177.4000111.6I278 I281 V282 I285 F306 G312 L313 L314 I322 L349I278-L310 HydrophobicContact CG2-CD2 4.27Å; I281-L310 HydrophobicContact CG2-CD1 4.08Å; I281-L310 HydrophobicContact CG2-CD2 3.99Å; V282-L310 HydrophobicContact CG2-CD2 3.65Å; I285-L310 HydrophobicContact CD1-CD1 4.07Å; I285-L310 HydrophobicContact CD1-CD2 4.39Å; F306-L310 WeakPolarHBondContact O-CB 3.42Å; F306-L310 VanDerWaalsContact O-CG 3.31Å; F306-L310 WeakPolarHBondContact O-CG 3.48Å; F306-L310 PolarHBondContact O-N 2.93Å; L310-G312 VanDerWaalsContact C-N 3.3Å; L310-G312 PolarHBondContact O-N 2.85Å; L310-L313 PolarHBondContact O-N 2.93Å; L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 VanDerWaalsContact O-CG 3.24Å; L310-L314 WeakPolarHBondContact O-CG 3.5Å; L310-L314 PolarHBondContact O-N 3.39Å; L310-I322 HydrophobicContact CB-CD1 3.76Å; L310-L349 HydrophobicContact CD1-CD1 4.02Å; L310-L349 HydrophobicContact CD1-CD2 3.8Å; L310-L349 HydrophobicContact CD1-CG 4.36Å
311K94.4Very high92.8Very high74 Ų7442.1 Ų42.132%0.32222%0.218SC..Hα-helixtrans-68.1-28.2174.3-70.9-168.373.1169.70113.9Y307 I309 S319 I322Y307-K311 HydrophobicContact CD1-CD 4.42Å; Y307-K311 HydrophobicContact CD2-CD 4.28Å; Y307-K311 HydrophobicContact CE1-CD 3.82Å; Y307-K311 HydrophobicContact CE2-CD 3.63Å; Y307-K311 HydrophobicContact CE2-CG 4.4Å; Y307-K311 WeakPolarHBondContact O-CB 3.07Å; Y307-K311 VanDerWaalsContact O-CG 3.28Å; Y307-K311 WeakPolarHBondContact O-CG 3.31Å; Y307-K311 PolarHBondContact O-N 2.83Å; Y307-K311 WeakPolarHBondContact OH-CD 3.48Å; Y307-K311 PolarHBondContact OH-NZ 3Å; Y307-K311 VanDerWaalsContact OH-NZ 3.14Å; I309-K311 PolarHBondContact O-N 2.88Å; K311-S319 WeakPolarHBondContact CE-O 3.38Å; K311-I322 HydrophobicContact CG-CB 4.31Å; K311-I322 HydrophobicContact CG-CD1 4.41Å; K311-I322 HydrophobicContact CG-CG2 4.47Å
312G91.6Very high92.7Very high43 Ų4341.4 Ų41.444%0.44321%0.212SC..Hα-helixtrans-80.5-27.4174.800000113.7C308 I309 L310C308-G312 PolarHBondContact O-N 3.23Å; I309-G312 CarbonylContact O-C 3.49Å; I309-G312 WeakPolarHBondContact O-CA 3.49Å; I309-G312 PolarHBondContact O-N 2.89Å; L310-G312 VanDerWaalsContact C-N 3.3Å; L310-G312 PolarHBondContact O-N 2.85Å
313L90.3Very high92.5Very high11 Ų1142.3 Ų42.36%0.05822%0.216CC..Hα-helixtrans-84.1-31.2178.9-66.9176.6000113.2I278 V282 I309 L310 I441 R444 I445 L448I278-L313 HydrophobicContact CG2-CD1 4.39Å; V282-L313 HydrophobicContact CG2-CB 4.49Å; V282-L313 HydrophobicContact CG2-CD1 3.76Å; I309-L313 HydrophobicContact CG2-CD1 3.63Å; I309-L313 HydrophobicContact CG2-CG 4.1Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.5Å; L310-L313 PolarHBondContact O-N 2.93Å; L313-I441 HydrophobicContact CD1-CG2 3.95Å; L313-R444 HydrophobicContact CD2-CB 3.68Å; L313-R444 PolarHBondContact O-NH2 2.9Å; L313-I445 HydrophobicContact CD1-CD1 4.21Å; L313-I445 HydrophobicContact CD1-CG1 3.8Å; L313-I445 HydrophobicContact CD2-CG1 4.15Å; L313-I445 HydrophobicContact CG-CG1 4.41Å; L313-L448 HydrophobicContact CD2-CD1 4.01Å; L313-L448 HydrophobicContact CG-CD1 4.2Å
314L89.4Confident92.3Very high16 Ų1644.7 Ų44.78%0.08423%0.225CC..SBendtrans-95.1156.1-175.9-62.1172.9000112.4V282 I285 L286 L310 Q318 I322V282-L314 HydrophobicContact CG1-CD2 4.08Å; I285-L314 HydrophobicContact CG2-CD1 3.9Å; L286-L314 HydrophobicContact CD2-CD2 3.28Å; L310-L314 WeakPolarHBondContact O-CB 3.28Å; L310-L314 VanDerWaalsContact O-CG 3.24Å; L310-L314 WeakPolarHBondContact O-CG 3.5Å; L310-L314 PolarHBondContact O-N 3.39Å; L314-Q318 HydrophobicContact CB-CB 3.96Å; L314-I322 HydrophobicContact CD1-CD1 3.49Å; L314-I322 VanDerWaalsContact CD1-CD1 3.49Å
315S86.3Confident92Very high59 Ų5942.9 Ų42.941%0.41322%0.215SC..  trans-61.9158.6176.874.80000111.9K317 Q318 S319S315-K317 PolarHBondContact O-N 2.73Å; S315-K317 VanDerWaalsContact O-N 3.16Å; S315-Q318 PolarHBondContact O-N 3.04Å; S315-Q318 VanDerWaalsContact OG-CG 3.29Å; S315-Q318 WeakPolarHBondContact OG-CG 3.25Å; S315-Q318 PolarHBondContact OG-OE1 3.4Å; S315-S319 WeakPolarHBondContact O-CB 3.37Å; S315-S319 PolarHBondContact O-N 3.38Å; S315-S319 PolarHBondContact O-OG 2.84Å
316L85.8Confident91.6Very high128 Ų12843 Ų4367%0.6722%0.216SC*.Hα-helixtrans-57.2-35.4-177-174.262.4000113.2S319 K320L316-S319 WeakPolarHBondContact CA-OG 3.38Å; L316-S319 PolarHBondContact O-OG 3.4Å; L316-K320 VanDerWaalsContact O-CG 3.31Å; L316-K320 WeakPolarHBondContact O-CG 3.44Å; L316-K320 PolarHBondContact O-N 2.87Å
317K85.7Confident90.7Very high182 Ų18244.9 Ų44.979%0.79124%0.237SC*.Hα-helixtrans-66.8-42.2176-68.5-175.8-179.8179.70111.3S315S315-K317 PolarHBondContact O-N 2.73Å; S315-K317 VanDerWaalsContact O-N 3.16Å
318Q86Confident89.9Confident49 Ų4951.4 Ų51.423%0.22926%0.261CS..Hα-helixtrans-72.4-41.8-179.2-65.1164.74.900111.4R289 L314 S315 K320 R321R289-Q318 VanDerWaalsContact NH1-CG 3.28Å; R289-Q318 VanDerWaalsContact NH2-CD 3.26Å; L314-Q318 HydrophobicContact CB-CB 3.96Å; S315-Q318 PolarHBondContact O-N 3.04Å; S315-Q318 VanDerWaalsContact OG-CG 3.29Å; S315-Q318 WeakPolarHBondContact OG-CG 3.25Å; S315-Q318 PolarHBondContact OG-OE1 3.4Å; Q318-K320 PolarHBondContact O-N 3.35Å; Q318-R321 WeakPolarHBondContact O-CB 3.22Å; Q318-R321 PolarHBondContact O-N 3.02Å; Q318-R321 VanDerWaalsContact O-N 3.12Å
319S88.1Confident89.2Confident7 Ų751 Ų515%0.04926%0.257CS..Hα-helixtrans-66.9-22.4-179.271.80000113.7K311 S315 L316 R321 I322K311-S319 WeakPolarHBondContact CE-O 3.38Å; S315-S319 WeakPolarHBondContact O-CB 3.37Å; S315-S319 PolarHBondContact O-N 3.38Å; S315-S319 PolarHBondContact O-OG 2.84Å; L316-S319 WeakPolarHBondContact CA-OG 3.38Å; L316-S319 PolarHBondContact O-OG 3.4Å; S319-R321 VanDerWaalsContact C-N 3.26Å; S319-R321 PolarHBondContact O-N 2.68Å; S319-I322 PolarHBondContact O-N 3.37Å
320K90.1Very high87.7Confident140 Ų14056.8 Ų56.861%0.60929%0.288SS*.THydrogen-bonded Turntrans-65.9-25.5173-79.1175.1-178.3-174.60113.4L316 Q318 I322 Q323L316-K320 VanDerWaalsContact O-CG 3.31Å; L316-K320 WeakPolarHBondContact O-CG 3.44Å; L316-K320 PolarHBondContact O-N 2.87Å; Q318-K320 PolarHBondContact O-N 3.35Å; K320-I322 VanDerWaalsContact C-N 3.31Å; K320-Q323 PolarHBondContact O-NE2 2.96Å
321R91.3Very high86.5Confident41 Ų4163.6 Ų63.616%0.15532%0.317CS..THydrogen-bonded Turntrans-77.5-18.7178.9-64.2171.955.3-167.4-9.1113.2R289 E291 Q318 S319 N345 I347R289-R321 PolarHBondContact O-NH1 2.93Å; R289-R321 PolarHBondContact O-NH2 2.91Å; E291-R321 PolarHBondContact O-NH2 2.95Å; Q318-R321 WeakPolarHBondContact O-CB 3.22Å; Q318-R321 PolarHBondContact O-N 3.02Å; Q318-R321 VanDerWaalsContact O-N 3.12Å; S319-R321 VanDerWaalsContact C-N 3.26Å; S319-R321 PolarHBondContact O-N 2.68Å; R321-N345 PolarHBondContact NE-O 3.08Å; R321-I347 PolarHBondContact O-N 2.87Å
322I94.9Very high85.4Confident0 Ų066.2 Ų66.20%033%0.329CS..EExtended strand (participates in β ladder)trans-82.7125.5-177.4-62.7171.2000110Y307 L310 K311 L314 S319 K320 I347 L349Y307-I322 HydrophobicContact CD2-CG2 3.66Å; Y307-I322 HydrophobicContact CE2-CG2 3.93Å; L310-I322 HydrophobicContact CB-CD1 3.76Å; K311-I322 HydrophobicContact CG-CB 4.31Å; K311-I322 HydrophobicContact CG-CD1 4.41Å; K311-I322 HydrophobicContact CG-CG2 4.47Å; L314-I322 HydrophobicContact CD1-CD1 3.49Å; L314-I322 VanDerWaalsContact CD1-CD1 3.49Å; S319-I322 PolarHBondContact O-N 3.37Å; K320-I322 VanDerWaalsContact C-N 3.31Å; I322-I347 CarbonylContact C-O 3.52Å; I322-I347 WeakPolarHBondContact CA-O 3.46Å; I322-I347 HydrophobicContact CG1-CB 4.04Å; I322-I347 HydrophobicContact CG1-CD1 3.86Å; I322-I347 HydrophobicContact CG1-CG2 4.35Å; I322-L349 HydrophobicContact CG2-CD1 3.6Å
323Q94Very high84.7Confident18 Ų1865.1 Ų65.18%0.08431%0.311CS..EExtended strand (participates in β ladder)trans-121.2167.2169.7-56.3-53.2-37.900109.8K320 I347 L348 L349K320-Q323 PolarHBondContact O-NE2 2.96Å; Q323-I347 PolarHBondContact N-O 2.93Å; Q323-L348 HydrophobicContact CB-CD1 3.97Å; Q323-L349 PolarHBondContact O-N 2.55Å
324R93.7Very high84Confident50 Ų5067.5 Ų67.519%0.18932%0.321CS..EExtended strand (participates in β ladder)trans-138.5146.2175.464.1172.7-178.5-170.621.6112V303 D304 Y307 L349V303-R324 HydrophobicContact CG1-CB 3.73Å; D304-R324 PolarHBondContact O-NH1 2.87Å; D304-R324 VanDerWaalsContact O-NH1 3.13Å; D304-R324 IonicContact OD1-CZ 3.32Å; D304-R324 IonicContact OD1-NE 2.7Å; D304-R324 PolarHBondContact OD1-NE 3.23Å; D304-R324 IonicContact OD1-NH1 3.43Å; D304-R324 PolarHBondContact OD1-NH1 3.08Å; D304-R324 IonicContact OD1-NH2 3.31Å; D304-R324 PolarHBondContact OD1-NH2 3.4Å; Y307-R324 HydrophobicContact CD1-CG 4.33Å; Y307-R324 VanDerWaalsContact CD1-NH1 3.33Å; Y307-R324 HydrophobicContact CD2-CB 3.75Å; Y307-R324 HydrophobicContact CD2-CG 3.82Å; Y307-R324 HydrophobicContact CE2-CB 4.4Å; Y307-R324 HydrophobicContact CE2-CG 4.16Å; Y307-R324 HydrophobicContact CG-CB 4.05Å; Y307-R324 HydrophobicContact CG-CG 3.92Å; R324-L349 CarbonylContact C-O 3.59Å; R324-L349 WeakPolarHBondContact CA-O 3.12Å; R324-L349 HydrophobicContact CB-CB 4.4Å
325L90.3Very high83.7Confident1 Ų169.7 Ų69.71%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-148.9122.6179.3-169.651.5000112.1L329 R333 F337 L348 L349 C350 T351 M354L325-L329 HydrophobicContact CD1-CD2 4.14Å; L325-R333 HydrophobicContact CD1-CB 3.91Å; L325-R333 HydrophobicContact CD1-CG 3.84Å; L325-F337 HydrophobicContact CD2-CB 3.97Å; L325-F337 HydrophobicContact CD2-CD2 4.19Å; L325-F337 HydrophobicContact CD2-CG 4.45Å; L325-L348 HydrophobicContact CB-CD1 3.89Å; L325-L349 PolarHBondContact N-O 3.41Å; L325-C350 WeakPolarHBondContact O-CA 3.26Å; L325-C350 VanDerWaalsContact O-CB 3.25Å; L325-C350 WeakPolarHBondContact O-CB 3.14Å; L325-T351 PolarHBondContact O-N 3.49Å; L325-M354 HydrophobicContact CB-CG 4.23Å; L325-M354 HydrophobicContact CB-SD 4.42Å; L325-M354 HydrophobicContact CD2-CE 3.61Å; L325-M354 HydrophobicContact CD2-CG 4.02Å; L325-M354 HydrophobicContact CD2-SD 3.19Å; L325-M354 WeakPolarHBondContact CD2-SD 3.36Å; L325-M354 HydrophobicContact CG-CG 4.08Å; L325-M354 HydrophobicContact CG-SD 3.71Å
326H89.4Confident83.7Confident3 Ų368.6 Ų68.61%0.01432%0.322CS..  trans-154.2161.9-1806492.3000111C300 V303 D304 R328 L329 R333 T351C300-H326 HydrophobicContact CB-CB 4.29Å; C300-H326 WeakPolarHBondContact CB-ND1 3.48Å; C300-H326 PolarHBondContact SG-ND1 3.27Å; C300-H326 VanDerWaalsContact SG-ND1 3.43Å; V303-H326 HydrophobicContact CG1-CB 4.44Å; D304-H326 IonicContact OD1-NE2 2.73Å; D304-H326 PolarHBondContact OD1-NE2 3.43Å; D304-H326 IonicContact OD2-CE1 3.64Å; D304-H326 PolarHBondContact OD2-CE1 3.14Å; D304-H326 IonicContact OD2-NE2 3.2Å; D304-H326 PolarHBondContact OD2-NE2 3.21Å; H326-R328 PolarHBondContact ND1-N 3.33Å; H326-R328 PolarHBondContact O-N 3.19Å; H326-L329 WeakPolarHBondContact O-CB 3.29Å; H326-L329 PolarHBondContact O-N 3.36Å; H326-R333 PolarHBondContact O-NH1 3.45Å; H326-T351 HydrophobicContact CB-CG2 3.95Å
327G78.8Confident83.6Confident46 Ų4662.8 Ų62.847%0.47429%0.292SS..THydrogen-bonded Turntrans-51.3-27.4-172.600000116.6R333G327-R333 PolarHBondContact O-NH1 3.46Å
328R81.3Confident83.5Confident176 Ų17656 Ų5666%0.66427%0.265SS*.THydrogen-bonded Turntrans-99.77.7-175.5-62.4-175178.9-179.90.2114.4H326 N330H326-R328 PolarHBondContact ND1-N 3.33Å; H326-R328 PolarHBondContact O-N 3.19Å; R328-N330 PolarHBondContact O-N 3.08Å; R328-N330 PolarHBondContact O-OD1 2.96Å
329L79.7Confident83.6Confident26 Ų2659.2 Ų59.214%0.13628%0.279CS..  trans-76.7110.1177.3-17064.1000109.5L325 H326 R333 L336L325-L329 HydrophobicContact CD1-CD2 4.14Å; H326-L329 WeakPolarHBondContact O-CB 3.29Å; H326-L329 PolarHBondContact O-N 3.36Å; L329-R333 HydrophobicContact CB-CG 3.86Å; L329-R333 HydrophobicContact CD2-CG 3.98Å; L329-R333 HydrophobicContact CG-CG 4Å; L329-R333 WeakPolarHBondContact O-CD 3.39Å; L329-R333 VanDerWaalsContact O-CG 3.26Å; L329-R333 WeakPolarHBondContact O-CG 3.38Å; L329-L336 HydrophobicContact CD2-CD1 3.68Å
330N66.5Low83.7Confident122 Ų12259 Ų5965%0.65228%0.277SS*.  trans-83.1-20.1-171.2-69.7-16.9000114.5G123 R328G123-N330 CarbonylContact C-O 3.55Å; G123-N330 WeakPolarHBondContact CA-O 3.49Å; R328-N330 PolarHBondContact O-N 3.08Å; R328-N330 PolarHBondContact O-OD1 2.96Å
331K68.1Low83.6Confident143 Ų14354.8 Ų54.862%0.62226%0.259SS*.SBendtrans-135.2151.8-174.9-61.8-177.9-179.4-178.80109.9R333K331-R333 PolarHBondContact O-N 3.16Å
332K71.8Confident83.4Confident129 Ų12958.8 Ų58.856%0.56128%0.283SS*.SBendtrans60.316.1174.9-53.9-176.3179-173.90116.1S125 F334 D335 L336S125-K332 WeakPolarHBondContact OG-CA 3.49Å; S125-K332 WeakPolarHBondContact OG-CG 3.47Å; S125-K332 PolarHBondContact OG-N 3Å; K332-F334 PolarHBondContact O-N 2.88Å; K332-D335 HydrophobicContact CB-CB 4.4Å; K332-D335 PolarHBondContact O-N 3.31Å; K332-L336 HydrophobicContact CB-CD1 4.09Å; K332-L336 HydrophobicContact CB-CG 4.07Å; K332-L336 WeakPolarHBondContact O-CB 3.38Å; K332-L336 WeakPolarHBondContact O-CD1 3.49Å; K332-L336 WeakPolarHBondContact O-CG 3.46Å; K332-L336 PolarHBondContact O-N 3.11Å
333R78Confident83.2Confident20 Ų2061 Ų618%0.07530%0.297CS..Hα-helixtrans-55-54.1-179.5-74.4-177.674.4131.4-7.8112.1E89 L325 H326 G327 L329 K331 L336 F337E89-R333 VanDerWaalsContact CD-NH2 3.28Å; E89-R333 IonicContact OE1-CZ 3.66Å; E89-R333 IonicContact OE1-NE 2.93Å; E89-R333 PolarHBondContact OE1-NE 2.96Å; E89-R333 IonicContact OE1-NH2 2.83Å; E89-R333 PolarHBondContact OE1-NH2 3.36Å; E89-R333 IonicContact OE2-NH2 3.36Å; E89-R333 PolarHBondContact OE2-NH2 3.06Å; E89-R333 VanDerWaalsContact OE2-NH2 3.16Å; L325-R333 HydrophobicContact CD1-CB 3.91Å; L325-R333 HydrophobicContact CD1-CG 3.84Å; H326-R333 PolarHBondContact O-NH1 3.45Å; G327-R333 PolarHBondContact O-NH1 3.46Å; L329-R333 HydrophobicContact CB-CG 3.86Å; L329-R333 HydrophobicContact CD2-CG 3.98Å; L329-R333 HydrophobicContact CG-CG 4Å; L329-R333 WeakPolarHBondContact O-CD 3.39Å; L329-R333 VanDerWaalsContact O-CG 3.26Å; L329-R333 WeakPolarHBondContact O-CG 3.38Å; K331-R333 PolarHBondContact O-N 3.16Å; R333-L336 PolarHBondContact O-N 3.27Å; R333-F337 VanDerWaalsContact O-CB 3.31Å; R333-F337 WeakPolarHBondContact O-CB 3.05Å; R333-F337 PolarHBondContact O-N 2.75Å
334F75.8Confident82.9Confident62 Ų6264.8 Ų64.827%0.27233%0.325SS..Hα-helixtrans-62.9-50.6179.6-175.3-102.3000110.6N92 E96 K332 L336 F337 T338N92-F334 HydrophobicContact CB-CD2 4.29Å; N92-F334 HydrophobicContact CB-CE2 4.01Å; E96-F334 WeakPolarHBondContact OE1-CZ 3.44Å; K332-F334 PolarHBondContact O-N 2.88Å; F334-L336 VanDerWaalsContact C-N 3.3Å; F334-L336 PolarHBondContact O-N 3.24Å; F334-F337 CarbonylContact O-C 3.58Å; F334-F337 WeakPolarHBondContact O-CA 3.4Å; F334-F337 WeakPolarHBondContact O-CB 3.42Å; F334-F337 PolarHBondContact O-N 3.29Å; F334-T338 WeakPolarHBondContact O-CB 3.39Å; F334-T338 PolarHBondContact O-N 3.4Å; F334-T338 PolarHBondContact O-OG1 2.97Å; F334-T338 VanDerWaalsContact O-OG1 3.05Å
335D82.4Confident82.7Confident62 Ų6265 Ų6533%0.33233%0.33SS..Hα-helixtrans-56.8-41.4178.5-46.4-33.1000112.9S125 K332 K339S125-D335 PolarHBondContact OG-OD2 3.43Å; S125-D335 VanDerWaalsContact OG-OD2 3.12Å; K332-D335 HydrophobicContact CB-CB 4.4Å; K332-D335 PolarHBondContact O-N 3.31Å; D335-K339 WeakPolarHBondContact O-CB 3.48Å; D335-K339 PolarHBondContact O-N 2.99Å
336L85.6Confident82.8Confident35 Ų3565 Ų6518%0.18333%0.33CS..Hα-helixtrans-68.2-40.7177-69.6167000111.4L329 K332 R333 F334 F340L329-L336 HydrophobicContact CD2-CD1 3.68Å; K332-L336 HydrophobicContact CB-CD1 4.09Å; K332-L336 HydrophobicContact CB-CG 4.07Å; K332-L336 WeakPolarHBondContact O-CB 3.38Å; K332-L336 WeakPolarHBondContact O-CD1 3.49Å; K332-L336 WeakPolarHBondContact O-CG 3.46Å; K332-L336 PolarHBondContact O-N 3.11Å; R333-L336 PolarHBondContact O-N 3.27Å; F334-L336 VanDerWaalsContact C-N 3.3Å; F334-L336 PolarHBondContact O-N 3.24Å; L336-F340 WeakPolarHBondContact O-CB 3.3Å; L336-F340 PolarHBondContact O-N 2.94Å
337F84.4Confident83.1Confident7 Ų764.9 Ų64.93%0.03133%0.33CS..Hα-helixtrans-63.5-52.2175.7175.2-111.2000111.1L325 R333 F334 K339 F340 K341 M354 I358 V360L325-F337 HydrophobicContact CD2-CB 3.97Å; L325-F337 HydrophobicContact CD2-CD2 4.19Å; L325-F337 HydrophobicContact CD2-CG 4.45Å; R333-F337 VanDerWaalsContact O-CB 3.31Å; R333-F337 WeakPolarHBondContact O-CB 3.05Å; R333-F337 PolarHBondContact O-N 2.75Å; F334-F337 CarbonylContact O-C 3.58Å; F334-F337 WeakPolarHBondContact O-CA 3.4Å; F334-F337 WeakPolarHBondContact O-CB 3.42Å; F334-F337 PolarHBondContact O-N 3.29Å; F337-K339 VanDerWaalsContact C-N 3.31Å; F337-K339 PolarHBondContact O-N 3.32Å; F337-F340 PolarHBondContact O-N 2.94Å; F337-F340 VanDerWaalsContact O-N 3.07Å; F337-K341 HydrophobicContact CE1-CD 4.28Å; F337-K341 HydrophobicContact CZ-CD 4.38Å; F337-K341 WeakPolarHBondContact O-CB 3.09Å; F337-K341 PolarHBondContact O-N 3.22Å; F337-M354 HydrophobicContact CD2-CE 3.5Å; F337-M354 VanDerWaalsContact CD2-CE 3.5Å; F337-M354 HydrophobicContact CE2-CE 3.57Å; F337-I358 HydrophobicContact CD2-CG2 4.35Å; F337-I358 HydrophobicContact CE1-CG2 4.26Å; F337-I358 HydrophobicContact CE2-CG2 3.26Å; F337-I358 HydrophobicContact CZ-CG2 3.21Å; F337-V360 HydrophobicContact CE2-CG2 3.6Å; F337-V360 HydrophobicContact CZ-CG2 4.1Å
338T83.7Confident83.9Confident39 Ų3962.8 Ų62.824%0.23931%0.307CS..Hα-helixtrans-59.3-42.4177.7-55.90000111.2F334 F340 K341 N342F334-T338 WeakPolarHBondContact O-CB 3.39Å; F334-T338 PolarHBondContact O-N 3.4Å; F334-T338 PolarHBondContact O-OG1 2.97Å; F334-T338 VanDerWaalsContact O-OG1 3.05Å; T338-F340 VanDerWaalsContact C-N 3.34Å; T338-F340 PolarHBondContact O-N 3.46Å; T338-K341 PolarHBondContact O-N 3.22Å; T338-N342 WeakPolarHBondContact O-CB 3.47Å; T338-N342 VanDerWaalsContact O-CG 3.23Å; T338-N342 PolarHBondContact O-N 3.14Å; T338-N342 PolarHBondContact O-ND2 2.87Å
339K88.6Confident84.7Confident117 Ų11754.4 Ų54.451%0.50928%0.276SS..Hα-helixtrans-58.7-44.8173.9-177.1178.6-178.5-178.80112D335 F337 T343D335-K339 WeakPolarHBondContact O-CB 3.48Å; D335-K339 PolarHBondContact O-N 2.99Å; F337-K339 VanDerWaalsContact C-N 3.31Å; F337-K339 PolarHBondContact O-N 3.32Å; K339-T343 PolarHBondContact O-N 2.96Å; K339-T343 PolarHBondContact O-OG1 2.83Å
340F90.1Very high85.4Confident2 Ų253.1 Ų53.11%0.00927%0.269CS..Hα-helixtrans-67.7-43.4177.7177-107.5000112L336 F337 T338 N342 T343 L348 V360L336-F340 WeakPolarHBondContact O-CB 3.3Å; L336-F340 PolarHBondContact O-N 2.94Å; F337-F340 PolarHBondContact O-N 2.94Å; F337-F340 VanDerWaalsContact O-N 3.07Å; T338-F340 VanDerWaalsContact C-N 3.34Å; T338-F340 PolarHBondContact O-N 3.46Å; F340-N342 VanDerWaalsContact C-N 3.28Å; F340-N342 PolarHBondContact O-N 3.05Å; F340-T343 PolarHBondContact O-N 3.44Å; F340-L348 HydrophobicContact CD1-CB 3.89Å; F340-L348 HydrophobicContact CD1-CD2 3.6Å; F340-L348 HydrophobicContact CD1-CG 4.3Å; F340-L348 HydrophobicContact CD2-CB 3.79Å; F340-L348 HydrophobicContact CE1-CB 3.6Å; F340-L348 HydrophobicContact CE1-CD2 3.7Å; F340-L348 HydrophobicContact CE1-CG 4.28Å; F340-L348 HydrophobicContact CE2-CB 3.53Å; F340-L348 HydrophobicContact CG-CB 3.97Å; F340-L348 HydrophobicContact CG-CD2 4.21Å; F340-L348 HydrophobicContact CZ-CB 3.43Å; F340-L348 VanDerWaalsContact CZ-CB 3.43Å; F340-L348 HydrophobicContact CZ-CD2 4.42Å; F340-V360 HydrophobicContact CD1-CG1 4.04Å; F340-V360 HydrophobicContact CD1-CG2 4.41Å; F340-V360 HydrophobicContact CE1-CG1 3.67Å; F340-V360 HydrophobicContact CE1-CG2 4.3Å
341K86.7Confident86.6Confident52 Ų5248 Ų4823%0.22624%0.242CC..Hα-helixtrans-53.9-45.5176.3-172-178.1178.2-176.70111.2E96 K292 F337 T338E96-K341 IonicContact OE2-NZ 3.49Å; K292-K341 PolarHBondContact NZ-O 2.89Å; F337-K341 HydrophobicContact CE1-CD 4.28Å; F337-K341 HydrophobicContact CZ-CD 4.38Å; F337-K341 WeakPolarHBondContact O-CB 3.09Å; F337-K341 PolarHBondContact O-N 3.22Å; T338-K341 PolarHBondContact O-N 3.22Å
342N88.3Confident87.5Confident125 Ų12542 Ų4267%0.66822%0.217SC*.Hα-helixtrans-84.7-9.9-174.9-63.4-8.4000115T338 F340T338-N342 WeakPolarHBondContact O-CB 3.47Å; T338-N342 VanDerWaalsContact O-CG 3.23Å; T338-N342 PolarHBondContact O-N 3.14Å; T338-N342 PolarHBondContact O-ND2 2.87Å; F340-N342 VanDerWaalsContact C-N 3.28Å; F340-N342 PolarHBondContact O-N 3.05Å
343T90.2Very high87.9Confident47 Ų4737 Ų3729%0.28820%0.197SC..  trans-77.2150.2175.7-58.70000109.1K292 K339 F340K292-T343 WeakPolarHBondContact CE-O 3.48Å; K292-T343 PolarHBondContact NZ-O 2.97Å; K339-T343 PolarHBondContact O-N 2.96Å; K339-T343 PolarHBondContact O-OG1 2.83Å; F340-T343 PolarHBondContact O-N 3.44Å
344S87.2Confident87.9Confident96 Ų9636.1 Ų36.167%0.67119%0.194SC*.SBendtrans-84-32.9172.754.60000112.9K292K292-S344 WeakPolarHBondContact CG-O 3.39Å
345N89.8Confident87.8Confident54 Ų5433.2 Ų33.229%0.28918%0.181SC..SBendtrans-131.788.6179.760.13.8000112.8R321R321-N345 PolarHBondContact NE-O 3.08Å
346G93.6Very high87.5Confident1 Ų130.5 Ų30.51%0.0117%0.166CC..  trans-118163.9-177.500000113.2K292 I293K292-G346 CarbonylContact C-O 3.38Å; K292-G346 VanDerWaalsContact CA-O 3.29Å; K292-G346 WeakPolarHBondContact CA-O 3.45Å; I293-G346 PolarHBondContact N-O 3.34Å
347I95.5Very high86.5Confident2 Ų229.6 Ų29.61%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-124.8124.5166.8-57.7154.6000108I285 I293 I295 R321 I322 Q323 L349I285-I347 HydrophobicContact CB-CD1 4.22Å; I285-I347 HydrophobicContact CD1-CD1 4.05Å; I285-I347 HydrophobicContact CD1-CG2 4.32Å; I285-I347 HydrophobicContact CG1-CD1 3.85Å; I285-I347 HydrophobicContact CG1-CG1 4.48Å; I285-I347 HydrophobicContact CG2-CD1 3.43Å; I285-I347 VanDerWaalsContact CG2-CD1 3.43Å; I293-I347 HydrophobicContact CB-CG1 4.34Å; I293-I347 HydrophobicContact CD1-CG1 4.39Å; I293-I347 CarbonylContact O-C 3.6Å; I293-I347 WeakPolarHBondContact O-CA 3.39Å; I295-I347 HydrophobicContact CD1-CG2 3.73Å; I295-I347 HydrophobicContact CG1-CG2 4.24Å; R321-I347 PolarHBondContact O-N 2.87Å; I322-I347 CarbonylContact C-O 3.52Å; I322-I347 WeakPolarHBondContact CA-O 3.46Å; I322-I347 HydrophobicContact CG1-CB 4.04Å; I322-I347 HydrophobicContact CG1-CD1 3.86Å; I322-I347 HydrophobicContact CG1-CG2 4.35Å; Q323-I347 PolarHBondContact N-O 2.93Å; I347-L349 HydrophobicContact CG2-CD1 3.95Å
348L95.5Very high86Confident1 Ų129.4 Ų29.41%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-117.1116.9177.3178.862.5000110.5I293 L294 I295 Q323 L325 F340 C350 M354I293-L348 PolarHBondContact O-N 3.06Å; L294-L348 HydrophobicContact CD1-CB 3.79Å; L294-L348 HydrophobicContact CD1-CD2 3.69Å; L294-L348 HydrophobicContact CD1-CG 3.84Å; I295-L348 PolarHBondContact N-O 3.17Å; Q323-L348 HydrophobicContact CB-CD1 3.97Å; L325-L348 HydrophobicContact CB-CD1 3.89Å; F340-L348 HydrophobicContact CD1-CB 3.89Å; F340-L348 HydrophobicContact CD1-CD2 3.6Å; F340-L348 HydrophobicContact CD1-CG 4.3Å; F340-L348 HydrophobicContact CD2-CB 3.79Å; F340-L348 HydrophobicContact CE1-CB 3.6Å; F340-L348 HydrophobicContact CE1-CD2 3.7Å; F340-L348 HydrophobicContact CE1-CG 4.28Å; F340-L348 HydrophobicContact CE2-CB 3.53Å; F340-L348 HydrophobicContact CG-CB 3.97Å; F340-L348 HydrophobicContact CG-CD2 4.21Å; F340-L348 HydrophobicContact CZ-CB 3.43Å; F340-L348 VanDerWaalsContact CZ-CB 3.43Å; F340-L348 HydrophobicContact CZ-CD2 4.42Å; L348-C350 HydrophobicContact CG-CB 4.46Å; L348-M354 HydrophobicContact CD2-CE 4.09Å
349L96.8Very high85.4Confident0 Ų030.2 Ų30.20%017%0.167CC..EExtended strand (participates in β ladder)trans-88.4124.9170.6-7672.6000109.3I295 F297 V303 F306 L310 I322 Q323 R324 L325 I347I295-L349 HydrophobicContact CB-CG 4.42Å; I295-L349 CarbonylContact O-C 3.58Å; I295-L349 WeakPolarHBondContact O-CA 3.32Å; F297-L349 HydrophobicContact CD2-CB 4.4Å; F297-L349 HydrophobicContact CD2-CD2 4.2Å; F297-L349 HydrophobicContact CD2-CG 4.31Å; F297-L349 HydrophobicContact CE2-CB 4.32Å; F297-L349 HydrophobicContact CE2-CD2 3.5Å; F297-L349 VanDerWaalsContact CE2-CD2 3.5Å; F297-L349 HydrophobicContact CE2-CG 3.75Å; F297-L349 HydrophobicContact CZ-CD2 4.26Å; V303-L349 HydrophobicContact CG1-CB 4.15Å; V303-L349 WeakPolarHBondContact CG1-O 3.48Å; F306-L349 HydrophobicContact CB-CD2 4.2Å; L310-L349 HydrophobicContact CD1-CD1 4.02Å; L310-L349 HydrophobicContact CD1-CD2 3.8Å; L310-L349 HydrophobicContact CD1-CG 4.36Å; I322-L349 HydrophobicContact CG2-CD1 3.6Å; Q323-L349 PolarHBondContact O-N 2.55Å; R324-L349 CarbonylContact C-O 3.59Å; R324-L349 WeakPolarHBondContact CA-O 3.12Å; R324-L349 HydrophobicContact CB-CB 4.4Å; L325-L349 PolarHBondContact N-O 3.41Å; I347-L349 HydrophobicContact CG2-CD1 3.95Å
350C94.1Very high84.9Confident0 Ų025 Ų250%015%0.146CC..EExtended strand (participates in β ladder)trans-144.9169-176.3570000114.6L294 I295 F296 F297 V303 L325 L348 M354L294-C350 WeakPolarHBondContact CD1-SG 3.13Å; I295-C350 PolarHBondContact O-N 2.86Å; F296-C350 WeakPolarHBondContact CA-O 3.29Å; F296-C350 WeakPolarHBondContact CE1-SG 3.2Å; F297-C350 PolarHBondContact N-O 2.93Å; V303-C350 WeakPolarHBondContact CG2-O 3.21Å; L325-C350 WeakPolarHBondContact O-CA 3.26Å; L325-C350 VanDerWaalsContact O-CB 3.25Å; L325-C350 WeakPolarHBondContact O-CB 3.14Å; L348-C350 HydrophobicContact CG-CB 4.46Å; C350-M354 HydrophobicContact CB-CB 3.77Å; C350-M354 HydrophobicContact CB-CG 3.51Å
351T92.3Very high84.3Confident14 Ų1427.2 Ų27.29%0.08616%0.16CC..  trans-102.5-179.4165.853.20000108.8T299 V303 L325 H326 V353 M354T299-T351 VanDerWaalsContact C-CG2 3.49Å; V303-T351 HydrophobicContact CG2-CG2 3.73Å; L325-T351 PolarHBondContact O-N 3.49Å; H326-T351 HydrophobicContact CB-CG2 3.95Å; T351-V353 PolarHBondContact O-N 3.29Å; T351-M354 PolarHBondContact O-N 3.04Å
352D87.1Confident84.2Confident16 Ų1630.9 Ų30.99%0.08618%0.178CC..G310 helixtrans-58.7-3.7177.1-60.2-31.4000115.5R191 M354 A355 E377 R381R191-D352 PolarHBondContact NH2-O 3.35Å; R191-D352 VanDerWaalsContact NH2-O 3.11Å; D352-M354 PolarHBondContact O-N 2.99Å; D352-A355 HydrophobicContact CB-CB 4.35Å; D352-A355 PolarHBondContact O-N 3.34Å; D352-E377 HydrophobicContact CB-CG 3.94Å; D352-E377 VanDerWaalsContact CG-CG 3.43Å; D352-E377 WeakPolarHBondContact OD1-CG 3.43Å; D352-R381 VanDerWaalsContact CG-NH2 3.32Å; D352-R381 IonicContact OD1-CZ 2.79Å; D352-R381 IonicContact OD1-NE 2.76Å; D352-R381 PolarHBondContact OD1-NE 3.44Å; D352-R381 IonicContact OD1-NH2 2.82Å; D352-R381 PolarHBondContact OD1-NH2 2.77Å; D352-R381 IonicContact OD2-NH2 3.81Å; D352-R381 PolarHBondContact OD2-NH2 2.8Å; D352-R381 VanDerWaalsContact OD2-NH2 3.12Å
353V79.3Confident84.4Confident24 Ų2425.3 Ų25.315%0.14515%0.148CC..G310 helixtrans-60.5-27.7165.777.10000112.2T87 T351T87-V353 HydrophobicContact CG2-CG2 4.37Å; T351-V353 PolarHBondContact O-N 3.29Å
354M79.3Confident84.4Confident3 Ų323.7 Ų23.72%0.01514%0.141CC..G310 helixtrans-99.30.3179.1-62.1-54.3-69.300114.1E89 F296 L325 F337 L348 C350 T351 D352 I358 R384E89-M354 HydrophobicContact CG-SD 4.28Å; F296-M354 HydrophobicContact CE1-CB 4.25Å; L325-M354 HydrophobicContact CB-CG 4.23Å; L325-M354 HydrophobicContact CB-SD 4.42Å; L325-M354 HydrophobicContact CD2-CE 3.61Å; L325-M354 HydrophobicContact CD2-CG 4.02Å; L325-M354 HydrophobicContact CD2-SD 3.19Å; L325-M354 WeakPolarHBondContact CD2-SD 3.36Å; L325-M354 HydrophobicContact CG-CG 4.08Å; L325-M354 HydrophobicContact CG-SD 3.71Å; F337-M354 HydrophobicContact CD2-CE 3.5Å; F337-M354 VanDerWaalsContact CD2-CE 3.5Å; F337-M354 HydrophobicContact CE2-CE 3.57Å; L348-M354 HydrophobicContact CD2-CE 4.09Å; C350-M354 HydrophobicContact CB-CB 3.77Å; C350-M354 HydrophobicContact CB-CG 3.51Å; T351-M354 PolarHBondContact O-N 3.04Å; D352-M354 PolarHBondContact O-N 2.99Å; M354-I358 HydrophobicContact CE-CB 4.35Å; M354-I358 HydrophobicContact CE-CD1 3.38Å; M354-I358 HydrophobicContact CE-CG1 4.44Å; M354-I358 HydrophobicContact CE-CG2 3.79Å; M354-I358 HydrophobicContact SD-CD1 3.25Å; M354-I358 WeakPolarHBondContact SD-CD1 3.19Å; M354-R384 WeakPolarHBondContact O-CD 3.39Å
355A74.3Confident84.8Confident0 Ų020.2 Ų20.20%011%0.113CC..SBendtrans-81.5-16.1-174.100000113.6F296 D352 E377 H380 R381 R384F296-A355 HydrophobicContact CE1-CB 3.69Å; F296-A355 HydrophobicContact CZ-CB 3.9Å; D352-A355 HydrophobicContact CB-CB 4.35Å; D352-A355 PolarHBondContact O-N 3.34Å; A355-E377 HydrophobicContact CB-CG 4.45Å; A355-E377 WeakPolarHBondContact CB-OE1 2.66Å; A355-H380 HydrophobicContact CB-CB 4.48Å; A355-H380 CarbonylContact O-C 3.59Å; A355-H380 WeakPolarHBondContact O-CB 3.34Å; A355-R381 HydrophobicContact CB-CG 3.71Å; A355-R384 WeakPolarHBondContact O-CD 3.49Å; A355-R384 PolarHBondContact O-NE 2.79Å; A355-R384 PolarHBondContact O-NH2 3.25Å; A355-R384 VanDerWaalsContact O-NH2 3.16Å
356R74.9Confident85.1Confident5 Ų517.6 Ų17.62%0.01910%0.099CC..SBendtrans-129.4151-176.2-74.8-172.2174.7115.4-27.3113.7D190 E194 I358 E377 H380 R384D190-R356 IonicContact OD2-NH2 2.62Å; E194-R356 IonicContact OE1-CZ 2.68Å; E194-R356 IonicContact OE1-NH1 3.39Å; E194-R356 IonicContact OE1-NH2 3.82Å; E194-R356 PolarHBondContact OE1-NH2 3.25Å; E194-R356 IonicContact OE2-CZ 3.49Å; E194-R356 IonicContact OE2-NH1 3.25Å; E194-R356 PolarHBondContact OE2-NH1 3.07Å; E194-R356 IonicContact OE2-NH2 3.46Å; E194-R356 PolarHBondContact OE2-NH2 2.87Å; R356-I358 PolarHBondContact O-N 3.37Å; R356-E377 IonicContact CZ-OE1 3Å; R356-E377 IonicContact NH1-OE1 3.32Å; R356-E377 PolarHBondContact NH1-OE1 3.12Å; R356-E377 IonicContact NH1-OE2 2.91Å; R356-E377 PolarHBondContact NH1-OE2 2.66Å; R356-H380 HydrophobicContact CG-CB 3.59Å; R356-H380 VanDerWaalsContact CZ-NE2 3.29Å; R356-H380 PolarHBondContact NE-CD2 3.05Å; R356-H380 PolarHBondContact NE-CE1 3.44Å; R356-H380 PolarHBondContact NE-NE2 2.91Å; R356-H380 PolarHBondContact NH2-CD2 2.85Å; R356-H380 PolarHBondContact NH2-NE2 3.44Å; R356-R384 VanDerWaalsContact CA-NH1 3.31Å
357G65.7Low85.2Confident16 Ų1617.6 Ų17.617%0.16510%0.099CC..SBendtrans53.8-28.2-179.200000119.9L90 E188 D359L90-G357 VanDerWaalsContact CD1-C 3.47Å; L90-G357 WeakPolarHBondContact CD1-O 3.4Å; E188-G357 VanDerWaalsContact OE1-CA 3.24Å; E188-G357 WeakPolarHBondContact OE1-CA 3.42Å; E188-G357 PolarHBondContact OE1-N 3.29Å; G357-D359 PolarHBondContact O-N 2.77Å
358I72.4Confident85.3Confident3 Ų317.5 Ų17.52%0.01510%0.098CC..  trans-70.1131.8-173.1-61.3171.5000110E89 F337 M354 R356 V360 R384 R387E89-I358 HydrophobicContact CB-CD1 3.37Å; E89-I358 HydrophobicContact CB-CG1 3.81Å; E89-I358 HydrophobicContact CG-CD1 3.94Å; F337-I358 HydrophobicContact CD2-CG2 4.35Å; F337-I358 HydrophobicContact CE1-CG2 4.26Å; F337-I358 HydrophobicContact CE2-CG2 3.26Å; F337-I358 HydrophobicContact CZ-CG2 3.21Å; M354-I358 HydrophobicContact CE-CB 4.35Å; M354-I358 HydrophobicContact CE-CD1 3.38Å; M354-I358 HydrophobicContact CE-CG1 4.44Å; M354-I358 HydrophobicContact CE-CG2 3.79Å; M354-I358 HydrophobicContact SD-CD1 3.25Å; M354-I358 WeakPolarHBondContact SD-CD1 3.19Å; R356-I358 PolarHBondContact O-N 3.37Å; I358-V360 HydrophobicContact CG2-CG2 4.16Å; I358-R384 PolarHBondContact O-NH1 3.01Å; I358-R387 PolarHBondContact O-NH1 2.87Å; I358-R387 PolarHBondContact O-NH2 2.9Å; I358-R387 VanDerWaalsContact O-NH2 3.11Å
359D71.9Confident85.3Confident56 Ų5617.5 Ų17.530%0.29910%0.098SC..  trans-103.8109.3178.9-163.539000112.2Q93 G357 R387Q93-D359 VanDerWaalsContact NE2-CB 3.33Å; G357-D359 PolarHBondContact O-N 2.77Å; D359-R387 WeakPolarHBondContact OD1-CD 3.44Å; D359-R387 IonicContact OD1-CZ 3.56Å; D359-R387 IonicContact OD1-NH1 2.93Å; D359-R387 PolarHBondContact OD1-NH1 3.29Å
360V78.5Confident85.1Confident9 Ų918 Ų186%0.05510%0.101CC..  trans-118.2113.5172.4-178.90000106.8K292 F337 F340 I358 I363K292-V360 HydrophobicContact CD-CG1 4.28Å; F337-V360 HydrophobicContact CE2-CG2 3.6Å; F337-V360 HydrophobicContact CZ-CG2 4.1Å; F340-V360 HydrophobicContact CD1-CG1 4.04Å; F340-V360 HydrophobicContact CD1-CG2 4.41Å; F340-V360 HydrophobicContact CE1-CG1 3.67Å; F340-V360 HydrophobicContact CE1-CG2 4.3Å; I358-V360 HydrophobicContact CG2-CG2 4.16Å; V360-I363 HydrophobicContact CB-CD1 3.65Å; V360-I363 HydrophobicContact CB-CG1 4.04Å; V360-I363 HydrophobicContact CG1-CD1 3.96Å; V360-I363 HydrophobicContact CG1-CG1 3.84Å; V360-I363 HydrophobicContact CG2-CD1 4.44Å
361P77.7Confident85.1Confident47 Ų4718 Ų1831%0.30510%0.101SC..THydrogen-bonded Turntrans-71.7148.4-176.830.1-35.5000110.9K292 I363K292-P361 WeakPolarHBondContact CD-O 3.31Å; K292-P361 PolarHBondContact NZ-O 2.81Å; P361-I363 PolarHBondContact O-N 3.23Å
362H84.8Confident85Confident129 Ų12917.3 Ų17.360%0.59710%0.097SC*.THydrogen-bonded Turntrans57.939.3172.7-46.2-71.2000114.8K292 G364 L390K292-H362 WeakPolarHBondContact CB-O 3.39Å; H362-G364 PolarHBondContact O-N 3.34Å; H362-L390 WeakPolarHBondContact ND1-CD1 3.49Å
363I91.2Very high84.9Confident8 Ų819 Ų194%0.04111%0.108CC..EExtended strand (participates in β ladder)trans-69.2115.1164.3-65.5172.2000107.2L294 V360 P361 W365 V366 R384 T385L294-I363 HydrophobicContact CB-CD1 4.32Å; L294-I363 HydrophobicContact CB-CG2 4.21Å; L294-I363 HydrophobicContact CD2-CD1 4.03Å; V360-I363 HydrophobicContact CB-CD1 3.65Å; V360-I363 HydrophobicContact CB-CG1 4.04Å; V360-I363 HydrophobicContact CG1-CD1 3.96Å; V360-I363 HydrophobicContact CG1-CG1 3.84Å; V360-I363 HydrophobicContact CG2-CD1 4.44Å; P361-I363 PolarHBondContact O-N 3.23Å; I363-W365 WeakPolarHBondContact CG2-O 3.41Å; I363-V366 HydrophobicContact CG2-CG2 3.99Å; I363-R384 HydrophobicContact CD1-CB 4.24Å; I363-R384 WeakPolarHBondContact CD1-O 3.39Å; I363-T385 WeakPolarHBondContact O-CB 3.4Å; I363-T385 PolarHBondContact O-OG1 2.91Å
364G91.2Very high85.2Confident14 Ų1418.7 Ų18.714%0.14411%0.105CC..EExtended strand (participates in β ladder)trans-78.6-39.5175.300000111.8K292 H362 N393K292-G364 PolarHBondContact O-N 3.49Å; H362-G364 PolarHBondContact O-N 3.34Å; G364-N393 PolarHBondContact O-N 3.42Å
365W95.1Very high85.4Confident22 Ų2218.8 Ų18.88%0.08311%0.107CC..EExtended strand (participates in β ladder)trans-132.9132.9-175-74.588.8000113.8F268 F284 H288 E291 K292 I293 L294 I363 N393 L395 M420F268-W365 HydrophobicContact CD2-CH2 4.23Å; F268-W365 HydrophobicContact CD2-CZ3 4.1Å; F268-W365 HydrophobicContact CE2-CH2 4.17Å; F268-W365 HydrophobicContact CE2-CZ3 4.43Å; F284-W365 HydrophobicContact CE1-CB 4.01Å; F284-W365 AromaticContact CE1-CD2 3.95Å; F284-W365 HydrophobicContact CE1-CD2 3.95Å; F284-W365 HydrophobicContact CE1-CE3 4.26Å; F284-W365 AromaticContact CE1-CG 3.82Å; F284-W365 HydrophobicContact CE1-CG 3.82Å; F284-W365 HydrophobicContact CE2-CE3 4.36Å; F284-W365 HydrophobicContact CE2-CZ3 4.42Å; F284-W365 HydrophobicContact CZ-CB 4.38Å; F284-W365 AromaticContact CZ-CD2 3.45Å; F284-W365 HydrophobicContact CZ-CD2 3.45Å; F284-W365 VanDerWaalsContact CZ-CD2 3.45Å; F284-W365 AromaticContact CZ-CE2 3.89Å; F284-W365 AromaticContact CZ-CE3 3.49Å; F284-W365 HydrophobicContact CZ-CE3 3.49Å; F284-W365 VanDerWaalsContact CZ-CE3 3.49Å; F284-W365 AromaticContact CZ-CG 3.85Å; F284-W365 HydrophobicContact CZ-CG 3.85Å; F284-W365 HydrophobicContact CZ-CH2 4.33Å; F284-W365 HydrophobicContact CZ-CZ2 4.32Å; F284-W365 AromaticContact CZ-CZ3 3.94Å; F284-W365 HydrophobicContact CZ-CZ3 3.94Å; H288-W365 AromaticContact CE1-CE2 3.67Å; H288-W365 AromaticContact CE1-CZ2 3.95Å; H288-W365 AromaticContact CE1-NE1 3.31Å; H288-W365 PolarHBondContact CE1-NE1 2.95Å; H288-W365 VanDerWaalsContact CE1-NE1 3.31Å; H288-W365 AromaticContact ND1-CD1 3.62Å; H288-W365 AromaticContact ND1-NE1 3.29Å; H288-W365 PolarHBondContact ND1-NE1 2.96Å; E291-W365 PolarHBondContact OE1-NE1 3.5Å; K292-W365 PolarHBondContact O-N 2.91Å; I293-W365 CarbonylContact C-O 3.58Å; I293-W365 WeakPolarHBondContact CA-O 3.41Å; I293-W365 HydrophobicContact CG1-CB 4.5Å; I293-W365 HydrophobicContact CG2-CB 4.25Å; L294-W365 PolarHBondContact N-O 3.39Å; I363-W365 WeakPolarHBondContact CG2-O 3.41Å; W365-N393 CarbonylContact C-O 3.55Å; W365-N393 WeakPolarHBondContact CA-O 3.3Å; W365-N393 HydrophobicContact CD2-CB 3.52Å; W365-N393 HydrophobicContact CE3-CB 3.37Å; W365-N393 HydrophobicContact CG-CB 4.36Å; W365-N393 HydrophobicContact CH2-CB 3.53Å; W365-N393 HydrophobicContact CZ2-CB 3.65Å; W365-N393 HydrophobicContact CZ3-CB 3.39Å; W365-L395 HydrophobicContact CE3-CB 4.39Å; W365-L395 HydrophobicContact CZ3-CB 4.19Å; W365-M420 HydrophobicContact CH2-CE 3.87Å; W365-M420 HydrophobicContact CZ3-CE 4.28Å
366V95.2Very high85.7Confident0 Ų020.4 Ų20.40%012%0.115CC..EExtended strand (participates in β ladder)trans-109114.9165.3177.90000109.2L294 F296 I363 Q368 R381 R384 T385 N393 A394 L395L294-V366 HydrophobicContact CB-CG2 4.38Å; L294-V366 CarbonylContact O-C 3.59Å; L294-V366 WeakPolarHBondContact O-CA 3.42Å; F296-V366 HydrophobicContact CD2-CG1 3.77Å; F296-V366 HydrophobicContact CE2-CG1 3.72Å; I363-V366 HydrophobicContact CG2-CG2 3.99Å; V366-Q368 HydrophobicContact CG1-CG 4.33Å; V366-R381 WeakPolarHBondContact CG1-O 3.4Å; V366-R384 HydrophobicContact CG2-CB 3.93Å; V366-T385 HydrophobicContact CB-CG2 4.46Å; V366-T385 HydrophobicContact CG2-CG2 3.75Å; V366-N393 PolarHBondContact N-O 2.71Å; V366-A394 HydrophobicContact CB-CB 4.16Å; V366-A394 CarbonylContact O-C 3.6Å; V366-A394 WeakPolarHBondContact O-CA 3.22Å; V366-L395 PolarHBondContact O-N 3.14Å
367I96.6Very high86.2Confident0 Ų020.3 Ų20.30%012%0.115CC..EExtended strand (participates in β ladder)trans-100.9126.3175-54.3176.7000108.8F284 I293 L294 I295 F296 L395 F397F284-I367 HydrophobicContact CB-CD1 4.42Å; F284-I367 HydrophobicContact CD1-CD1 3.4Å; F284-I367 VanDerWaalsContact CD1-CD1 3.4Å; F284-I367 HydrophobicContact CD1-CG1 4.36Å; F284-I367 HydrophobicContact CE1-CD1 3.75Å; F284-I367 HydrophobicContact CE1-CG1 4.24Å; F284-I367 HydrophobicContact CG-CD1 3.88Å; F284-I367 HydrophobicContact CZ-CD1 4.49Å; I293-I367 HydrophobicContact CG2-CD1 3.73Å; I293-I367 HydrophobicContact CG2-CG1 4.02Å; L294-I367 PolarHBondContact O-N 3.29Å; I295-I367 CarbonylContact C-O 3.48Å; I295-I367 WeakPolarHBondContact CA-O 3.35Å; I295-I367 HydrophobicContact CD1-CD1 4.25Å; I295-I367 HydrophobicContact CG1-CB 4.24Å; I295-I367 HydrophobicContact CG1-CD1 4.19Å; I295-I367 HydrophobicContact CG2-CB 4.29Å; I295-I367 HydrophobicContact CG2-CG2 4.45Å; F296-I367 PolarHBondContact N-O 3.22Å; I367-L395 CarbonylContact C-O 3.58Å; I367-L395 WeakPolarHBondContact CA-O 3.36Å; I367-F397 HydrophobicContact CG2-CE1 4.03Å; I367-F397 HydrophobicContact CG2-CE2 4.28Å; I367-F397 HydrophobicContact CG2-CZ 3.88Å
368Q96.9Very high87.3Confident0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-106.395.1172.7-53.6-170.146.800108.1V366 D370 F378 R381 L395 L396 F397V366-Q368 HydrophobicContact CG1-CG 4.33Å; Q368-D370 PolarHBondContact O-N 3.15Å; Q368-F378 VanDerWaalsContact NE2-CD2 3.31Å; Q368-F378 VanDerWaalsContact OE1-CD2 3.26Å; Q368-R381 HydrophobicContact CG-CB 4.23Å; Q368-L395 PolarHBondContact N-O 3.29Å; Q368-L396 HydrophobicContact CB-CD1 3.69Å; Q368-F397 PolarHBondContact O-N 3.47Å
369C95.8Very high87.9Confident1 Ų120 Ų201%0.00711%0.11CC..SBendtrans-65.6-26.2-176-61.80000113K277 I281 I295 F296 F297 F397K277-C369 WeakPolarHBondContact CD-O 3.38Å; K277-C369 WeakPolarHBondContact CE-O 3.27Å; K277-C369 PolarHBondContact NZ-O 3.48Å; I281-C369 HydrophobicContact CD1-CB 4.47Å; I281-C369 WeakPolarHBondContact CD1-SG 3.41Å; I295-C369 WeakPolarHBondContact CG2-SG 3.19Å; F296-C369 WeakPolarHBondContact O-CB 3.01Å; F296-C369 PolarHBondContact O-N 3.11Å; F297-C369 HydrophobicContact CD1-CB 4.08Å; F297-C369 HydrophobicContact CE1-CB 3.99Å; C369-F397 WeakPolarHBondContact O-CB 3.45Å
370D93.2Very high88.5Confident10 Ų1017.5 Ų17.55%0.05310%0.097CC..SBendtrans-137.9143.8-177.8-47.5-58000108.8K277 A298 Q368 R381 Y466K277-D370 IonicContact NZ-OD1 2.68Å; K277-D370 PolarHBondContact NZ-OD1 2.8Å; A298-D370 HydrophobicContact CB-CB 3.99Å; A298-D370 WeakPolarHBondContact CB-OD2 3.42Å; A298-D370 PolarHBondContact N-OD2 3.14Å; Q368-D370 PolarHBondContact O-N 3.15Å; D370-R381 PolarHBondContact O-NH1 2.87Å; D370-Y466 HydrophobicContact CB-CE2 4.13Å; D370-Y466 VanDerWaalsContact CG-CE2 3.49Å; D370-Y466 VanDerWaalsContact OD1-CE2 3.28Å; D370-Y466 WeakPolarHBondContact OD1-CE2 3.35Å
371P93.6Very high89Confident1 Ų117.1 Ų17.11%0.0069%0.094CC..  trans-49.4134.4168.6-28.736000111.5Y405 F469 L479P371-Y405 HydrophobicContact CB-CD1 4.2Å; P371-Y405 HydrophobicContact CB-CE1 3.84Å; P371-Y405 HydrophobicContact CG-CD1 4.36Å; P371-Y405 HydrophobicContact CG-CE1 4.45Å; P371-F469 WeakPolarHBondContact O-CZ 3.26Å; P371-L479 HydrophobicContact CB-CD1 3.6Å; P371-L479 HydrophobicContact CG-CD1 4.03Å; P371-L479 HydrophobicContact CG-CD2 4.19Å
372P91.3Very high89.5Confident0 Ų014.9 Ų14.90%08%0.08CC..  trans-67.2153.5177.121.7-26.4000112.2N374 E377 F378 R381 H473P372-N374 WeakPolarHBondContact CB-O 3.46Å; P372-N374 WeakPolarHBondContact CG-O 3.16Å; P372-N374 PolarHBondContact O-N 2.98Å; P372-E377 HydrophobicContact CB-CB 3.83Å; P372-E377 HydrophobicContact CB-CG 4.06Å; P372-F378 HydrophobicContact CG-CB 3.67Å; P372-F378 HydrophobicContact CG-CD2 4.49Å; P372-R381 VanDerWaalsContact CB-CZ 3.45Å; P372-H473 PolarHBondContact O-CE1 3.27Å; P372-H473 PolarHBondContact O-NE2 3.12Å
373T85.2Confident89.4Confident50 Ų508.8 Ų8.831%0.3075%0.052SC..SBendtrans-43.8-38.3-179.2-41.30000114F469 H473 E474T373-F469 HydrophobicContact CG2-CE2 4.31Å; T373-F469 WeakPolarHBondContact OG1-CE2 3.48Å; T373-H473 PolarHBondContact O-CE1 3.32Å; T373-E474 PolarHBondContact O-N 3.26Å
374N83.6Confident89.1Confident18 Ų188.6 Ų8.610%0.0965%0.051CC..SBendtrans-138.2159.9174.967.429.5000110.3P372 N376 E377 E474P372-N374 WeakPolarHBondContact CB-O 3.46Å; P372-N374 WeakPolarHBondContact CG-O 3.16Å; P372-N374 PolarHBondContact O-N 2.98Å; N374-N376 VanDerWaalsContact C-N 3.33Å; N374-N376 PolarHBondContact O-N 3.23Å; N374-N376 PolarHBondContact OD1-N 3.1Å; N374-E377 PolarHBondContact O-N 3.35Å; N374-E377 WeakPolarHBondContact OD1-CB 3.18Å; N374-E377 PolarHBondContact OD1-N 3.3Å; N374-E474 HydrophobicContact CB-CG 4.38Å; N374-E474 WeakPolarHBondContact CB-OE2 3.43Å
375A83.6Confident89Confident6 Ų68.1 Ų8.15%0.055%0.045CC..Hα-helixtrans-71.9-23.7-17600000114E377 F378 F408 L409 Q413A375-E377 VanDerWaalsContact C-N 3.32Å; A375-E377 PolarHBondContact O-N 3.34Å; A375-F378 WeakPolarHBondContact O-CB 3.32Å; A375-F378 PolarHBondContact O-N 2.9Å; A375-F408 HydrophobicContact CB-CD1 4.21Å; A375-F408 HydrophobicContact CB-CE1 3.6Å; A375-L409 HydrophobicContact CB-CD2 3.89Å; A375-Q413 HydrophobicContact CB-CG 3.7Å
376N81.1Confident88.3Confident34 Ų347.3 Ų7.318%0.1824%0.043CC..Hα-helixtrans-62.9-41173.1-71.3-2.6000111N374 F378 V379 H380 Q413N374-N376 VanDerWaalsContact C-N 3.33Å; N374-N376 PolarHBondContact O-N 3.23Å; N374-N376 PolarHBondContact OD1-N 3.1Å; N376-F378 PolarHBondContact O-N 3.3Å; N376-V379 WeakPolarHBondContact O-CB 3.34Å; N376-V379 PolarHBondContact O-N 3.36Å; N376-V379 VanDerWaalsContact O-N 3.08Å; N376-H380 PolarHBondContact O-CD2 2.96Å; N376-H380 PolarHBondContact O-N 3.26Å; N376-Q413 PolarHBondContact OD1-NE2 3.4Å; N376-Q413 PolarHBondContact OD1-OE1 3.01Å; N376-Q413 VanDerWaalsContact OD1-OE1 3.1Å
377E85.7Confident87.4Confident3 Ų38.5 Ų8.51%0.0145%0.047CC..Hα-helixtrans-63.5-22.8178.9-168.280.9-105.700112.6R191 D352 A355 R356 P372 N374 A375 H380 R381R191-E377 IonicContact CZ-OE2 3.08Å; R191-E377 IonicContact NH1-OE2 3.69Å; R191-E377 PolarHBondContact NH1-OE2 3.12Å; R191-E377 IonicContact NH2-OE2 2.81Å; R191-E377 PolarHBondContact NH2-OE2 2.74Å; D352-E377 HydrophobicContact CB-CG 3.94Å; D352-E377 VanDerWaalsContact CG-CG 3.43Å; D352-E377 WeakPolarHBondContact OD1-CG 3.43Å; A355-E377 HydrophobicContact CB-CG 4.45Å; A355-E377 WeakPolarHBondContact CB-OE1 2.66Å; R356-E377 IonicContact CZ-OE1 3Å; R356-E377 IonicContact NH1-OE1 3.32Å; R356-E377 PolarHBondContact NH1-OE1 3.12Å; R356-E377 IonicContact NH1-OE2 2.91Å; R356-E377 PolarHBondContact NH1-OE2 2.66Å; P372-E377 HydrophobicContact CB-CB 3.83Å; P372-E377 HydrophobicContact CB-CG 4.06Å; N374-E377 PolarHBondContact O-N 3.35Å; N374-E377 WeakPolarHBondContact OD1-CB 3.18Å; N374-E377 PolarHBondContact OD1-N 3.3Å; A375-E377 VanDerWaalsContact C-N 3.32Å; A375-E377 PolarHBondContact O-N 3.34Å; E377-H380 PolarHBondContact O-N 2.74Å; E377-R381 WeakPolarHBondContact O-CB 3.38Å; E377-R381 VanDerWaalsContact O-CG 3.28Å; E377-R381 WeakPolarHBondContact O-CG 3.4Å; E377-R381 PolarHBondContact O-N 3.12Å
378F89.2Confident86Confident2 Ų213.4 Ų13.41%0.0098%0.08CC..Hα-helixtrans-57.7-51.6169.9178.8-90.7000111.5Q368 P372 A375 N376 H380 R381 C382 L396 L409 V415 L417Q368-F378 VanDerWaalsContact NE2-CD2 3.31Å; Q368-F378 VanDerWaalsContact OE1-CD2 3.26Å; P372-F378 HydrophobicContact CG-CB 3.67Å; P372-F378 HydrophobicContact CG-CD2 4.49Å; A375-F378 WeakPolarHBondContact O-CB 3.32Å; A375-F378 PolarHBondContact O-N 2.9Å; N376-F378 PolarHBondContact O-N 3.3Å; F378-H380 PolarHBondContact O-N 2.74Å; F378-R381 PolarHBondContact O-N 2.62Å; F378-C382 PolarHBondContact O-N 3.32Å; F378-C382 PolarHBondContact O-SG 2.84Å; F378-C382 VanDerWaalsContact O-SG 3.4Å; F378-L396 HydrophobicContact CD2-CD2 4.32Å; F378-L396 HydrophobicContact CE2-CB 4.06Å; F378-L396 HydrophobicContact CE2-CD1 4.33Å; F378-L396 HydrophobicContact CE2-CD2 3.85Å; F378-L396 HydrophobicContact CE2-CG 4.29Å; F378-L409 HydrophobicContact CB-CD2 3.95Å; F378-L409 HydrophobicContact CD1-CD1 4.16Å; F378-L409 HydrophobicContact CD1-CD2 4.15Å; F378-L409 HydrophobicContact CD2-CD1 3.79Å; F378-L409 HydrophobicContact CD2-CD2 4.46Å; F378-L409 HydrophobicContact CE1-CD1 4.24Å; F378-L409 HydrophobicContact CE2-CD1 3.86Å; F378-L409 HydrophobicContact CG-CD1 3.96Å; F378-L409 HydrophobicContact CG-CD2 3.91Å; F378-L409 HydrophobicContact CZ-CD1 4.1Å; F378-V415 HydrophobicContact CE1-CB 4.36Å; F378-V415 HydrophobicContact CE1-CG1 3.83Å; F378-L417 HydrophobicContact CE1-CD1 4.27Å; F378-L417 HydrophobicContact CE2-CD2 4.08Å; F378-L417 HydrophobicContact CZ-CD1 4.08Å; F378-L417 HydrophobicContact CZ-CD2 3.69Å; F378-L417 HydrophobicContact CZ-CG 4.12Å
379V84.9Confident84.7Confident11 Ų1117 Ų177%0.06712%0.117CC..Hα-helixtrans-58.2-38.9179.7178.30000110.5R260 I261 N376 C382 G383 Q413 V415R260-V379 HydrophobicContact CB-CG1 4.06Å; I261-V379 HydrophobicContact CD1-CG1 4.47Å; I261-V379 HydrophobicContact CG1-CG1 3.84Å; N376-V379 WeakPolarHBondContact O-CB 3.34Å; N376-V379 PolarHBondContact O-N 3.36Å; N376-V379 VanDerWaalsContact O-N 3.08Å; V379-C382 PolarHBondContact O-SG 2.67Å; V379-G383 PolarHBondContact O-N 2.94Å; V379-Q413 HydrophobicContact CG2-CB 4.14Å; V379-Q413 HydrophobicContact CG2-CG 4.47Å; V379-V415 HydrophobicContact CG2-CG2 4.05Å
380H84.1Confident83.9Confident3 Ų320.6 Ų20.61%0.01414%0.136CC..Hα-helixtrans-72.2-42.2-179.7-63.2-59000113.1A355 R356 N376 E377 F378 G383 R384A355-H380 HydrophobicContact CB-CB 4.48Å; A355-H380 CarbonylContact O-C 3.59Å; A355-H380 WeakPolarHBondContact O-CB 3.34Å; R356-H380 HydrophobicContact CG-CB 3.59Å; R356-H380 VanDerWaalsContact CZ-NE2 3.29Å; R356-H380 PolarHBondContact NE-CD2 3.05Å; R356-H380 PolarHBondContact NE-CE1 3.44Å; R356-H380 PolarHBondContact NE-NE2 2.91Å; R356-H380 PolarHBondContact NH2-CD2 2.85Å; R356-H380 PolarHBondContact NH2-NE2 3.44Å; N376-H380 PolarHBondContact O-CD2 2.96Å; N376-H380 PolarHBondContact O-N 3.26Å; E377-H380 PolarHBondContact O-N 2.74Å; F378-H380 PolarHBondContact O-N 2.74Å; H380-G383 PolarHBondContact O-N 2.65Å; H380-R384 PolarHBondContact O-NE 3.05Å
381R90.2Very high83.5Confident0 Ų028.1 Ų28.10%017%0.171CC..Hα-helixtrans-58.5-53.6173.4-73.6175.1176.7-173.54.5110.8F296 D352 A355 V366 Q368 D370 P372 E377 F378 G383 R384F296-R381 HydrophobicContact CD1-CG 3.91Å; F296-R381 HydrophobicContact CD2-CB 3.9Å; F296-R381 HydrophobicContact CD2-CG 3.75Å; F296-R381 HydrophobicContact CE1-CG 3.97Å; F296-R381 HydrophobicContact CE2-CB 3.77Å; F296-R381 HydrophobicContact CE2-CG 3.79Å; F296-R381 HydrophobicContact CG-CB 4.45Å; F296-R381 HydrophobicContact CG-CG 3.81Å; F296-R381 HydrophobicContact CZ-CB 4.25Å; F296-R381 HydrophobicContact CZ-CG 3.91Å; D352-R381 VanDerWaalsContact CG-NH2 3.32Å; D352-R381 IonicContact OD1-CZ 2.79Å; D352-R381 IonicContact OD1-NE 2.76Å; D352-R381 PolarHBondContact OD1-NE 3.44Å; D352-R381 IonicContact OD1-NH2 2.82Å; D352-R381 PolarHBondContact OD1-NH2 2.77Å; D352-R381 IonicContact OD2-NH2 3.81Å; D352-R381 PolarHBondContact OD2-NH2 2.8Å; D352-R381 VanDerWaalsContact OD2-NH2 3.12Å; A355-R381 HydrophobicContact CB-CG 3.71Å; V366-R381 WeakPolarHBondContact CG1-O 3.4Å; Q368-R381 HydrophobicContact CG-CB 4.23Å; D370-R381 PolarHBondContact O-NH1 2.87Å; P372-R381 VanDerWaalsContact CB-CZ 3.45Å; E377-R381 WeakPolarHBondContact O-CB 3.38Å; E377-R381 VanDerWaalsContact O-CG 3.28Å; E377-R381 WeakPolarHBondContact O-CG 3.4Å; E377-R381 PolarHBondContact O-N 3.12Å; F378-R381 PolarHBondContact O-N 2.62Å; R381-G383 VanDerWaalsContact C-N 3.33Å; R381-G383 PolarHBondContact O-N 3.38Å; R381-R384 VanDerWaalsContact O-CB 3.29Å; R381-R384 WeakPolarHBondContact O-CB 3.5Å; R381-R384 WeakPolarHBondContact O-CG 3.4Å; R381-R384 PolarHBondContact O-N 2.88Å; R381-R384 VanDerWaalsContact O-N 3.14Å
382C88Confident83.3Confident0 Ų028.1 Ų28.10%017%0.171CC..Hα-helixtrans-66.3-35.8-17872.70000111.4L265 N267 F378 V379 R384 T385 A394L265-C382 HydrophobicContact CD2-CB 3.74Å; N267-C382 WeakPolarHBondContact OD1-CB 3.23Å; F378-C382 PolarHBondContact O-N 3.32Å; F378-C382 PolarHBondContact O-SG 2.84Å; F378-C382 VanDerWaalsContact O-SG 3.4Å; V379-C382 PolarHBondContact O-SG 2.67Å; C382-R384 PolarHBondContact O-N 2.8Å; C382-T385 PolarHBondContact O-N 3.07Å; C382-A394 HydrophobicContact CB-CB 3.58Å
383G82.8Confident83.4Confident1 Ų129.8 Ų29.81%0.0118%0.18CC..THydrogen-bonded Turntrans-6711.2171.900000115.9V379 H380 R381 R387V379-G383 PolarHBondContact O-N 2.94Å; H380-G383 PolarHBondContact O-N 2.65Å; R381-G383 VanDerWaalsContact C-N 3.33Å; R381-G383 PolarHBondContact O-N 3.38Å; G383-R387 PolarHBondContact O-NE 2.85Å; G383-R387 VanDerWaalsContact O-NE 3.14Å; G383-R387 PolarHBondContact O-NH2 3.33Å; G383-R387 VanDerWaalsContact O-NH2 3.17Å
384R84.6Confident83.8Confident5 Ų527.4 Ų27.42%0.01917%0.166CC..THydrogen-bonded Turntrans-79.6-20.3167.4-64.2-51.494.6172.84.2112.9L294 F296 M354 A355 R356 I358 I363 V366 H380 R381 C382L294-R384 HydrophobicContact CD2-CB 3.66Å; L294-R384 HydrophobicContact CD2-CG 3.67Å; F296-R384 HydrophobicContact CE2-CG 4.3Å; F296-R384 HydrophobicContact CZ-CG 4.09Å; M354-R384 WeakPolarHBondContact O-CD 3.39Å; A355-R384 WeakPolarHBondContact O-CD 3.49Å; A355-R384 PolarHBondContact O-NE 2.79Å; A355-R384 PolarHBondContact O-NH2 3.25Å; A355-R384 VanDerWaalsContact O-NH2 3.16Å; R356-R384 VanDerWaalsContact CA-NH1 3.31Å; I358-R384 PolarHBondContact O-NH1 3.01Å; I363-R384 HydrophobicContact CD1-CB 4.24Å; I363-R384 WeakPolarHBondContact CD1-O 3.39Å; V366-R384 HydrophobicContact CG2-CB 3.93Å; H380-R384 PolarHBondContact O-NE 3.05Å; R381-R384 VanDerWaalsContact O-CB 3.29Å; R381-R384 WeakPolarHBondContact O-CB 3.5Å; R381-R384 WeakPolarHBondContact O-CG 3.4Å; R381-R384 PolarHBondContact O-N 2.88Å; R381-R384 VanDerWaalsContact O-N 3.14Å; C382-R384 PolarHBondContact O-N 2.8Å
385T87.4Confident84.4Confident3 Ų326.6 Ų26.62%0.01816%0.161CC..SBendtrans-110.4-179.6171.3-174.90000110.3L265 I363 V366 C382 G392 N393L265-T385 HydrophobicContact CD1-CG2 3.27Å; I363-T385 WeakPolarHBondContact O-CB 3.4Å; I363-T385 PolarHBondContact O-OG1 2.91Å; V366-T385 HydrophobicContact CB-CG2 4.46Å; V366-T385 HydrophobicContact CG2-CG2 3.75Å; C382-T385 PolarHBondContact O-N 3.07Å; T385-G392 WeakPolarHBondContact OG1-CA 3.36Å; T385-N393 WeakPolarHBondContact CG2-O 3.3Å
386A81.8Confident85Confident6 Ų626.3 Ų26.35%0.0516%0.159CC..SBendtrans55.548.8-176.300000114.8P262 A264 L265 L390P262-A386 HydrophobicContact CB-CB 4.22Å; P262-A386 WeakPolarHBondContact CB-O 3.39Å; A264-A386 HydrophobicContact CB-CB 4.4Å; L265-A386 HydrophobicContact CB-CB 3.66Å; L265-A386 HydrophobicContact CD1-CB 3.96Å; L265-A386 HydrophobicContact CG-CB 4.4Å; A386-L390 CarbonylContact C-O 3.58Å; A386-L390 WeakPolarHBondContact CA-O 3.24Å
387R76.6Confident85.7Confident24 Ų2424.7 Ų24.79%0.09115%0.15CC..  trans-103.3150.1-177.8-68-171.2177-175.16.8112.7I358 D359 G383 G389 L390I358-R387 PolarHBondContact O-NH1 2.87Å; I358-R387 PolarHBondContact O-NH2 2.9Å; I358-R387 VanDerWaalsContact O-NH2 3.11Å; D359-R387 WeakPolarHBondContact OD1-CD 3.44Å; D359-R387 IonicContact OD1-CZ 3.56Å; D359-R387 IonicContact OD1-NH1 2.93Å; D359-R387 PolarHBondContact OD1-NH1 3.29Å; G383-R387 PolarHBondContact O-NE 2.85Å; G383-R387 VanDerWaalsContact O-NE 3.14Å; G383-R387 PolarHBondContact O-NH2 3.33Å; G383-R387 VanDerWaalsContact O-NH2 3.17Å; R387-G389 PolarHBondContact O-N 3.42Å; R387-L390 VanDerWaalsContact O-CB 3.31Å; R387-L390 WeakPolarHBondContact O-CB 3.48Å; R387-L390 WeakPolarHBondContact O-CG 3.32Å; R387-L390 PolarHBondContact O-N 2.74Å
388C67.3Low86.2Confident103 Ų10324.5 Ų24.570%0.69615%0.149SC*.THydrogen-bonded Turntrans5438.6176.2-55.60000112.7L390C388-L390 VanDerWaalsContact C-N 3.27Å; C388-L390 PolarHBondContact O-N 3.29Å
389G68.6Low86.3Confident75 Ų7524.7 Ų24.777%0.77315%0.151SC*.THydrogen-bonded Turntrans79.3-1.9-179.700000115.5R387R387-G389 PolarHBondContact O-N 3.42Å
390L78.7Confident86.6Confident77 Ų7727.5 Ų27.540%0.40317%0.171SC..  trans-71.3150.5171.8-61.5173.5000110.6H362 A386 R387 C388H362-L390 WeakPolarHBondContact ND1-CD1 3.49Å; A386-L390 CarbonylContact C-O 3.58Å; A386-L390 WeakPolarHBondContact CA-O 3.24Å; R387-L390 VanDerWaalsContact O-CB 3.31Å; R387-L390 WeakPolarHBondContact O-CB 3.48Å; R387-L390 WeakPolarHBondContact O-CG 3.32Å; R387-L390 PolarHBondContact O-N 2.74Å; C388-L390 VanDerWaalsContact C-N 3.27Å; C388-L390 PolarHBondContact O-N 3.29Å
391E85.8Confident86.9Confident169 Ų16932.3 Ų32.379%0.7919%0.193SC*.  trans-73.2156.7168.4-64.9-179.117200111.2
392G89.4Confident87.1Confident1 Ų132.3 Ų32.31%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-162.3153.6-179.700000112.7A264 L265 Q266 T385A264-G392 PolarHBondContact O-N 3.45Å; L265-G392 WeakPolarHBondContact CA-O 3.24Å; L265-G392 WeakPolarHBondContact CD1-O 3.47Å; Q266-G392 PolarHBondContact N-O 3.18Å; T385-G392 WeakPolarHBondContact OG1-CA 3.36Å
393N93.2Very high87.2Confident34 Ų3433.9 Ų33.918%0.18221%0.206CC..EExtended strand (participates in β ladder)trans-126137.9-178.5-57.9-61000111.4Q266 F268 G364 W365 V366 T385Q266-N393 CarbonylContact O-C 3.24Å; Q266-N393 WeakPolarHBondContact O-CA 3.11Å; Q266-N393 PolarHBondContact OE1-OD1 3.21Å; F268-N393 HydrophobicContact CE2-CB 4.27Å; G364-N393 PolarHBondContact O-N 3.42Å; W365-N393 CarbonylContact C-O 3.55Å; W365-N393 WeakPolarHBondContact CA-O 3.3Å; W365-N393 HydrophobicContact CD2-CB 3.52Å; W365-N393 HydrophobicContact CE3-CB 3.37Å; W365-N393 HydrophobicContact CG-CB 4.36Å; W365-N393 HydrophobicContact CH2-CB 3.53Å; W365-N393 HydrophobicContact CZ2-CB 3.65Å; W365-N393 HydrophobicContact CZ3-CB 3.39Å; V366-N393 PolarHBondContact N-O 2.71Å; T385-N393 WeakPolarHBondContact CG2-O 3.3Å
394A94Very high87.7Confident1 Ų136.3 Ų36.31%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-125.1134.7172.300000110.7L265 Q266 N267 F268 V366 C382L265-A394 HydrophobicContact CD1-CB 4.32Å; Q266-A394 PolarHBondContact O-N 3.36Å; N267-A394 CarbonylContact C-O 3.51Å; F268-A394 PolarHBondContact N-O 3.31Å; V366-A394 HydrophobicContact CB-CB 4.16Å; V366-A394 CarbonylContact O-C 3.6Å; V366-A394 WeakPolarHBondContact O-CA 3.22Å; C382-A394 HydrophobicContact CB-CB 3.58Å
395L95.6Very high88.1Confident0 Ų036 Ų360%023%0.225CC..EExtended strand (participates in β ladder)trans-124.3119.4-178.6179.959.6000110.6F268 T270 F284 W365 V366 I367 Q368 F397 M420 L425F268-L395 HydrophobicContact CB-CD1 3.68Å; F268-L395 WeakPolarHBondContact O-CA 3.34Å; T270-L395 HydrophobicContact CG2-CD1 4.05Å; T270-L395 HydrophobicContact CG2-CG 4.44Å; F284-L395 HydrophobicContact CD2-CD2 4.22Å; F284-L395 HydrophobicContact CE2-CD2 3.8Å; W365-L395 HydrophobicContact CE3-CB 4.39Å; W365-L395 HydrophobicContact CZ3-CB 4.19Å; V366-L395 PolarHBondContact O-N 3.14Å; I367-L395 CarbonylContact C-O 3.58Å; I367-L395 WeakPolarHBondContact CA-O 3.36Å; Q368-L395 PolarHBondContact N-O 3.29Å; L395-F397 HydrophobicContact CD2-CD1 4.45Å; L395-F397 HydrophobicContact CD2-CE1 3.68Å; L395-F397 HydrophobicContact CG-CD1 4.15Å; L395-F397 HydrophobicContact CG-CE1 3.84Å; L395-M420 HydrophobicContact CD1-CB 4.41Å; L395-M420 HydrophobicContact CD1-SD 4.13Å; L395-M420 HydrophobicContact CD2-SD 4.25Å; L395-L425 HydrophobicContact CD2-CD2 3.93Å
396L96.6Very high88.4Confident0 Ų036.5 Ų36.50%023%0.227CC..EExtended strand (participates in β ladder)trans-96.2130174.6-179.863.7000111.2F268 Y269 T270 Q368 F378 V398 Y405 I406 L409 L417F268-L396 PolarHBondContact O-N 2.9Å; Y269-L396 CarbonylContact C-O 3.52Å; Y269-L396 VanDerWaalsContact CA-O 3.26Å; Y269-L396 WeakPolarHBondContact CA-O 3.41Å; T270-L396 PolarHBondContact N-O 3.48Å; Q368-L396 HydrophobicContact CB-CD1 3.69Å; F378-L396 HydrophobicContact CD2-CD2 4.32Å; F378-L396 HydrophobicContact CE2-CB 4.06Å; F378-L396 HydrophobicContact CE2-CD1 4.33Å; F378-L396 HydrophobicContact CE2-CD2 3.85Å; F378-L396 HydrophobicContact CE2-CG 4.29Å; L396-V398 HydrophobicContact CD2-CG1 3.87Å; L396-V398 HydrophobicContact CG-CG1 3.97Å; L396-Y405 HydrophobicContact CD2-CD1 4.17Å; L396-Y405 HydrophobicContact CD2-CE1 4.26Å; L396-I406 HydrophobicContact CD2-CD1 3.82Å; L396-L409 HydrophobicContact CD2-CD1 3.87Å; L396-L417 HydrophobicContact CB-CD2 3.96Å; L396-L417 HydrophobicContact CD2-CD2 3.92Å
397F95.7Very high88.9Confident0 Ų041.4 Ų41.40%025%0.253CS..EExtended strand (participates in β ladder)trans-92125.4170.3-68.82.3000109.6T270 V272 K277 L280 I281 I367 Q368 C369 L395T270-F397 HydrophobicContact CG2-CD1 3.55Å; T270-F397 HydrophobicContact CG2-CE1 3.78Å; T270-F397 HydrophobicContact CG2-CG 4.49Å; V272-F397 HydrophobicContact CG1-CB 3.61Å; V272-F397 HydrophobicContact CG1-CD1 4.28Å; V272-F397 HydrophobicContact CG1-CD2 3.91Å; V272-F397 HydrophobicContact CG1-CG 3.69Å; K277-F397 HydrophobicContact CB-CD2 4.24Å; K277-F397 HydrophobicContact CG-CD2 4.14Å; L280-F397 HydrophobicContact CB-CE2 4.37Å; L280-F397 HydrophobicContact CB-CZ 4.29Å; L280-F397 HydrophobicContact CD2-CD1 4.45Å; L280-F397 HydrophobicContact CD2-CE1 3.77Å; L280-F397 HydrophobicContact CD2-CE2 4.06Å; L280-F397 HydrophobicContact CD2-CZ 3.56Å; L280-F397 HydrophobicContact CG-CE1 4.39Å; L280-F397 HydrophobicContact CG-CE2 4.33Å; L280-F397 HydrophobicContact CG-CZ 3.78Å; I281-F397 HydrophobicContact CD1-CE2 4.4Å; I281-F397 HydrophobicContact CG1-CE2 3.78Å; I281-F397 HydrophobicContact CG1-CZ 4.28Å; I367-F397 HydrophobicContact CG2-CE1 4.03Å; I367-F397 HydrophobicContact CG2-CE2 4.28Å; I367-F397 HydrophobicContact CG2-CZ 3.88Å; Q368-F397 PolarHBondContact O-N 3.47Å; C369-F397 WeakPolarHBondContact O-CB 3.45Å; L395-F397 HydrophobicContact CD2-CD1 4.45Å; L395-F397 HydrophobicContact CD2-CE1 3.68Å; L395-F397 HydrophobicContact CG-CD1 4.15Å; L395-F397 HydrophobicContact CG-CE1 3.84Å
398V94.9Very high89.6Confident0 Ų042.9 Ų42.90%026%0.26CS..EExtended strand (participates in β ladder)trans-128.7146172.4-68.40000109.4Y269 T270 I271 V272 L396 E402 I406Y269-V398 HydrophobicContact CD2-CG2 3.93Å; T270-V398 PolarHBondContact O-N 3.03Å; T270-V398 VanDerWaalsContact O-N 3.15Å; I271-V398 CarbonylContact C-O 3.15Å; I271-V398 VanDerWaalsContact CA-O 3.27Å; I271-V398 WeakPolarHBondContact CA-O 3.19Å; I271-V398 HydrophobicContact CG1-CG2 4.25Å; V272-V398 PolarHBondContact N-O 2.87Å; L396-V398 HydrophobicContact CD2-CG1 3.87Å; L396-V398 HydrophobicContact CG-CG1 3.97Å; V398-E402 WeakPolarHBondContact CA-OE2 3.37Å; V398-E402 HydrophobicContact CB-CB 3.98Å; V398-E402 HydrophobicContact CG1-CB 4.37Å; V398-I406 HydrophobicContact CG1-CD1 3.9Å; V398-I406 HydrophobicContact CG2-CD1 4.24Å; V398-I406 HydrophobicContact CG2-CG1 4.44Å
399T93.1Very high90.8Very high6 Ų638 Ų384%0.03723%0.227CC..  trans-78.9169.5165.371.90000110.6V272 E401 E402 A403V272-T399 WeakPolarHBondContact O-CA 3.46Å; T399-E401 PolarHBondContact O-N 3.3Å; T399-E401 PolarHBondContact OG1-N 2.76Å; T399-E402 PolarHBondContact N-OE2 2.92Å; T399-E402 PolarHBondContact O-N 3.39Å; T399-E402 WeakPolarHBondContact OG1-CG 3.4Å; T399-E402 PolarHBondContact OG1-N 3.39Å; T399-A403 PolarHBondContact O-N 2.85Å
400S90.8Very high91.7Very high69 Ų6938.8 Ų38.848%0.48321%0.21SC..G310 helixtrans-56.8-35.8175.6-52.10000112.3I271 E273 E402 A403I271-S400 WeakPolarHBondContact CG2-OG 3.07Å; E273-S400 PolarHBondContact OE1-OG 3.48Å; S400-E402 VanDerWaalsContact C-N 3.35Å; S400-A403 WeakPolarHBondContact O-CB 3.42Å
401E89.6Confident92.1Very high104 Ų10440.3 Ų40.349%0.48622%0.218SC..G310 helixtrans-74.3-25.5177-61.3-178.7166.300113.2T399 K483T399-E401 PolarHBondContact O-N 3.3Å; T399-E401 PolarHBondContact OG1-N 2.76Å; E401-K483 VanDerWaalsContact OE2-C 3.29Å; E401-K483 VanDerWaalsContact OE2-O 3.11Å
402E93.9Very high92Very high1 Ų136 Ų361%0.00520%0.2CC..G310 helixtrans-87.2-6.2-179.8-64171.2166.500112.1V398 T399 S400 A404 Y405 Y470 L479V398-E402 WeakPolarHBondContact CA-OE2 3.37Å; V398-E402 HydrophobicContact CB-CB 3.98Å; V398-E402 HydrophobicContact CG1-CB 4.37Å; T399-E402 PolarHBondContact N-OE2 2.92Å; T399-E402 PolarHBondContact O-N 3.39Å; T399-E402 WeakPolarHBondContact OG1-CG 3.4Å; T399-E402 PolarHBondContact OG1-N 3.39Å; S400-E402 VanDerWaalsContact C-N 3.35Å; E402-A404 PolarHBondContact O-N 3.41Å; E402-A404 VanDerWaalsContact O-N 3.1Å; E402-Y405 WeakPolarHBondContact O-CB 3.41Å; E402-Y405 PolarHBondContact O-N 3.02Å; E402-Y470 WeakPolarHBondContact CG-OH 3.14Å; E402-Y470 VanDerWaalsContact OE1-CE2 3.27Å; E402-Y470 WeakPolarHBondContact OE1-CE2 3.48Å; E402-Y470 PolarHBondContact OE1-OH 3Å; E402-L479 HydrophobicContact CB-CD2 3.75Å; E402-L479 HydrophobicContact CG-CD2 3.56Å
403A91.1Very high91.7Very high32 Ų3236.7 Ų36.726%0.26420%0.203SC..THydrogen-bonded Turntrans-56.4-32-173.200000114T399 S400 Y405 I406T399-A403 PolarHBondContact O-N 2.85Å; S400-A403 WeakPolarHBondContact O-CB 3.42Å; A403-Y405 PolarHBondContact O-N 3.19Å; A403-Y405 VanDerWaalsContact O-N 3.13Å; A403-I406 WeakPolarHBondContact O-CB 3.48Å; A403-I406 WeakPolarHBondContact O-CG1 3.25Å; A403-I406 PolarHBondContact O-N 3.14Å
404A92.6Very high91.1Very high52 Ų5238.8 Ų38.843%0.4321%0.211SC..Hα-helixtrans-61.6-20.5175.200000113.4E402 I406 N407 F408 L478E402-A404 PolarHBondContact O-N 3.41Å; E402-A404 VanDerWaalsContact O-N 3.1Å; A404-I406 PolarHBondContact O-N 3.49Å; A404-N407 PolarHBondContact O-N 3.42Å; A404-F408 PolarHBondContact O-N 3.43Å; A404-L478 HydrophobicContact CB-CD2 4.23Å
405Y94.1Very high90.7Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-63.8-27.1174.3-172.7-111.9000112.6P371 L396 E402 A403 F408 L409 C475 L479P371-Y405 HydrophobicContact CB-CD1 4.2Å; P371-Y405 HydrophobicContact CB-CE1 3.84Å; P371-Y405 HydrophobicContact CG-CD1 4.36Å; P371-Y405 HydrophobicContact CG-CE1 4.45Å; L396-Y405 HydrophobicContact CD2-CD1 4.17Å; L396-Y405 HydrophobicContact CD2-CE1 4.26Å; E402-Y405 WeakPolarHBondContact O-CB 3.41Å; E402-Y405 PolarHBondContact O-N 3.02Å; A403-Y405 PolarHBondContact O-N 3.19Å; A403-Y405 VanDerWaalsContact O-N 3.13Å; Y405-F408 HydrophobicContact CD2-CD1 4.2Å; Y405-F408 HydrophobicContact CE2-CD1 4.03Å; Y405-F408 WeakPolarHBondContact O-CB 3.46Å; Y405-F408 PolarHBondContact O-N 3.4Å; Y405-L409 HydrophobicContact CD1-CD1 4Å; Y405-L409 HydrophobicContact CD1-CG 4.19Å; Y405-L409 HydrophobicContact CE1-CD1 3.7Å; Y405-L409 HydrophobicContact CE1-CD2 4Å; Y405-L409 HydrophobicContact CE1-CG 3.86Å; Y405-L409 WeakPolarHBondContact O-CG 3.36Å; Y405-L409 PolarHBondContact O-N 3.08Å; Y405-C475 HydrophobicContact CD2-CB 4.42Å; Y405-C475 HydrophobicContact CE2-CB 4.21Å; Y405-L479 HydrophobicContact CD2-CD1 3.99Å; Y405-L479 HydrophobicContact CD2-CG 4.29Å; Y405-L479 HydrophobicContact CE2-CD1 4.13Å; Y405-L479 HydrophobicContact CG-CD1 4.39Å; Y405-L479 HydrophobicContact CG-CD2 4.37Å
406I93.3Very high90.3Very high13 Ų1343.9 Ų43.97%0.06724%0.239CC..Hα-helixtrans-64.7-47.7177.5-54-58.1000110.6Y269 L396 V398 A403 A404 F408 L409 H410 L417Y269-I406 HydrophobicContact CD1-CD1 4.34Å; Y269-I406 HydrophobicContact CD1-CG1 4.46Å; Y269-I406 HydrophobicContact CD1-CG2 4.11Å; Y269-I406 HydrophobicContact CD2-CD1 3.91Å; Y269-I406 HydrophobicContact CD2-CG1 3.87Å; Y269-I406 HydrophobicContact CE1-CG2 4.09Å; Y269-I406 HydrophobicContact CE2-CG1 4.13Å; Y269-I406 HydrophobicContact CG-CD1 3.72Å; Y269-I406 HydrophobicContact CG-CG1 4.03Å; Y269-I406 HydrophobicContact CG-CG2 4.49Å; L396-I406 HydrophobicContact CD2-CD1 3.82Å; V398-I406 HydrophobicContact CG1-CD1 3.9Å; V398-I406 HydrophobicContact CG2-CD1 4.24Å; V398-I406 HydrophobicContact CG2-CG1 4.44Å; A403-I406 WeakPolarHBondContact O-CB 3.48Å; A403-I406 WeakPolarHBondContact O-CG1 3.25Å; A403-I406 PolarHBondContact O-N 3.14Å; A404-I406 PolarHBondContact O-N 3.49Å; I406-F408 VanDerWaalsContact C-N 3.25Å; I406-F408 PolarHBondContact O-N 3.2Å; I406-L409 WeakPolarHBondContact O-CB 3.03Å; I406-L409 PolarHBondContact O-N 3.09Å; I406-L409 VanDerWaalsContact O-N 3.14Å; I406-H410 PolarHBondContact O-N 2.82Å; I406-L417 HydrophobicContact CD1-CD2 4.1Å; I406-L417 HydrophobicContact CG2-CB 4.27Å
407N92Very high90.1Very high109 Ų10944.8 Ų44.858%0.58324%0.244SC*.Hα-helixtrans-63.6-34.3175.4-68-9.8000111.6A404 H410 I411A404-N407 PolarHBondContact O-N 3.42Å; N407-H410 WeakPolarHBondContact O-CB 3.15Å; N407-H410 PolarHBondContact O-N 3.11Å; N407-I411 WeakPolarHBondContact O-CD1 3.22Å; N407-I411 WeakPolarHBondContact O-CG1 3.17Å; N407-I411 PolarHBondContact O-N 3.41Å
408F92.3Very high89.9Confident55 Ų5549.9 Ų49.924%0.24127%0.27CS..Hα-helixtrans-63.3-41.9173.8-179.6-91.2000112.4A375 A404 Y405 I406 N412 C475 L478A375-F408 HydrophobicContact CB-CD1 4.21Å; A375-F408 HydrophobicContact CB-CE1 3.6Å; A404-F408 PolarHBondContact O-N 3.43Å; Y405-F408 HydrophobicContact CD2-CD1 4.2Å; Y405-F408 HydrophobicContact CE2-CD1 4.03Å; Y405-F408 WeakPolarHBondContact O-CB 3.46Å; Y405-F408 PolarHBondContact O-N 3.4Å; I406-F408 VanDerWaalsContact C-N 3.25Å; I406-F408 PolarHBondContact O-N 3.2Å; F408-N412 WeakPolarHBondContact CD2-ND2 3.18Å; F408-N412 HydrophobicContact CE1-CB 4.25Å; F408-N412 HydrophobicContact CE2-CB 4.39Å; F408-N412 WeakPolarHBondContact CE2-ND2 3.33Å; F408-N412 HydrophobicContact CZ-CB 4.14Å; F408-N412 VanDerWaalsContact O-CB 3.3Å; F408-N412 WeakPolarHBondContact O-CB 3.26Å; F408-N412 PolarHBondContact O-N 3.13Å; F408-N412 PolarHBondContact O-ND2 2.86Å; F408-C475 VanDerWaalsContact CE1-SG 3.57Å; F408-L478 HydrophobicContact CB-CD1 3.41Å; F408-L478 VanDerWaalsContact CB-CD1 3.41Å; F408-L478 HydrophobicContact CD1-CD1 4.36Å; F408-L478 HydrophobicContact CD2-CD1 3.57Å; F408-L478 HydrophobicContact CE2-CD1 4.45Å; F408-L478 HydrophobicContact CG-CD1 3.52Å
409L90.9Very high89.8Confident0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-63.9-43174.3-69.3176.2000111.6A375 F378 L396 Y405 I406 Q413 Q414 V415 L417A375-L409 HydrophobicContact CB-CD2 3.89Å; F378-L409 HydrophobicContact CB-CD2 3.95Å; F378-L409 HydrophobicContact CD1-CD1 4.16Å; F378-L409 HydrophobicContact CD1-CD2 4.15Å; F378-L409 HydrophobicContact CD2-CD1 3.79Å; F378-L409 HydrophobicContact CD2-CD2 4.46Å; F378-L409 HydrophobicContact CE1-CD1 4.24Å; F378-L409 HydrophobicContact CE2-CD1 3.86Å; F378-L409 HydrophobicContact CG-CD1 3.96Å; F378-L409 HydrophobicContact CG-CD2 3.91Å; F378-L409 HydrophobicContact CZ-CD1 4.1Å; L396-L409 HydrophobicContact CD2-CD1 3.87Å; Y405-L409 HydrophobicContact CD1-CD1 4Å; Y405-L409 HydrophobicContact CD1-CG 4.19Å; Y405-L409 HydrophobicContact CE1-CD1 3.7Å; Y405-L409 HydrophobicContact CE1-CD2 4Å; Y405-L409 HydrophobicContact CE1-CG 3.86Å; Y405-L409 WeakPolarHBondContact O-CG 3.36Å; Y405-L409 PolarHBondContact O-N 3.08Å; I406-L409 WeakPolarHBondContact O-CB 3.03Å; I406-L409 PolarHBondContact O-N 3.09Å; I406-L409 VanDerWaalsContact O-N 3.14Å; L409-Q413 HydrophobicContact CD2-CG 4.22Å; L409-Q413 CarbonylContact O-C 3.57Å; L409-Q413 WeakPolarHBondContact O-CA 3.46Å; L409-Q413 VanDerWaalsContact O-CB 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.38Å; L409-Q413 PolarHBondContact O-N 3.1Å; L409-Q414 PolarHBondContact O-N 3.23Å; L409-V415 PolarHBondContact O-N 3.04Å; L409-L417 HydrophobicContact CB-CD1 4.18Å; L409-L417 HydrophobicContact CD1-CD1 3.99Å; L409-L417 HydrophobicContact CD1-CD2 4.27Å
410H88.9Confident89.6Confident92 Ų9253.5 Ų53.543%0.42629%0.287SS..Hα-helixtrans-56-54.7174.5177.6-81.1000111.1I406 N407 Q414 V415 N416I406-H410 PolarHBondContact O-N 2.82Å; N407-H410 WeakPolarHBondContact O-CB 3.15Å; N407-H410 PolarHBondContact O-N 3.11Å; H410-Q414 WeakPolarHBondContact O-CA 3.5Å; H410-Q414 PolarHBondContact O-N 2.79Å; H410-Q414 VanDerWaalsContact O-N 3.09Å; H410-V415 VanDerWaalsContact CA-O 3.31Å; H410-V415 WeakPolarHBondContact CA-O 3.19Å; H410-V415 PolarHBondContact N-O 3.3Å; H410-N416 PolarHBondContact CD2-OD1 3.15Å; H410-N416 PolarHBondContact NE2-OD1 3.04Å
411I86.3Confident89.2Confident109 Ų10954.7 Ų54.756%0.55929%0.285SS*.Hα-helixtrans-70.7-45.1-174.7-65.8160.4000112.5N407 Q414N407-I411 WeakPolarHBondContact O-CD1 3.22Å; N407-I411 WeakPolarHBondContact O-CG1 3.17Å; N407-I411 PolarHBondContact O-N 3.41Å; I411-Q414 PolarHBondContact O-NE2 3.43Å; I411-Q414 VanDerWaalsContact O-NE2 3.16Å
412N84.7Confident88.4Confident79 Ų7952.8 Ų52.842%0.42227%0.273SS..Hα-helixtrans-95.2-24.1-168.2-64.2-89.5000113.7F408F408-N412 WeakPolarHBondContact CD2-ND2 3.18Å; F408-N412 HydrophobicContact CE1-CB 4.25Å; F408-N412 HydrophobicContact CE2-CB 4.39Å; F408-N412 WeakPolarHBondContact CE2-ND2 3.33Å; F408-N412 HydrophobicContact CZ-CB 4.14Å; F408-N412 VanDerWaalsContact O-CB 3.3Å; F408-N412 WeakPolarHBondContact O-CB 3.26Å; F408-N412 PolarHBondContact O-N 3.13Å; F408-N412 PolarHBondContact O-ND2 2.86Å
413Q82.8Confident87.1Confident14 Ų1458.2 Ų58.27%0.06530%0.298CS..Hα-helixtrans-114.2-4.6-179.9-58.6-61.6-37.200112.8A375 N376 V379 L409 V415A375-Q413 HydrophobicContact CB-CG 3.7Å; N376-Q413 PolarHBondContact OD1-NE2 3.4Å; N376-Q413 PolarHBondContact OD1-OE1 3.01Å; N376-Q413 VanDerWaalsContact OD1-OE1 3.1Å; V379-Q413 HydrophobicContact CG2-CB 4.14Å; V379-Q413 HydrophobicContact CG2-CG 4.47Å; L409-Q413 HydrophobicContact CD2-CG 4.22Å; L409-Q413 CarbonylContact O-C 3.57Å; L409-Q413 WeakPolarHBondContact O-CA 3.46Å; L409-Q413 VanDerWaalsContact O-CB 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.38Å; L409-Q413 PolarHBondContact O-N 3.1Å; Q413-V415 HydrophobicContact CB-CG2 3.79Å; Q413-V415 WeakPolarHBondContact O-CG2 3.29Å; Q413-V415 PolarHBondContact O-N 3.41Å
414Q80.5Confident86Confident78 Ų7861.7 Ų61.736%0.36431%0.309SS..  trans56.641.6-177.4-56.4-64.2-20.800111.3S256 L409 H410 I411S256-Q414 WeakPolarHBondContact O-CG 3.36Å; L409-Q414 PolarHBondContact O-N 3.23Å; H410-Q414 WeakPolarHBondContact O-CA 3.5Å; H410-Q414 PolarHBondContact O-N 2.79Å; H410-Q414 VanDerWaalsContact O-N 3.09Å; I411-Q414 PolarHBondContact O-NE2 3.43Å; I411-Q414 VanDerWaalsContact O-NE2 3.16Å
415V84.5Confident84.8Confident4 Ų459.5 Ų59.52%0.02429%0.29CS..  trans-117.2119179.6-169.30000110.9I261 N267 F378 V379 L409 H410 Q413 L417I261-V415 HydrophobicContact CD1-CB 3.97Å; I261-V415 HydrophobicContact CD1-CG1 3.39Å; I261-V415 HydrophobicContact CD1-CG2 3.33Å; I261-V415 HydrophobicContact CG1-CG2 4.32Å; N267-V415 HydrophobicContact CB-CG1 4.44Å; F378-V415 HydrophobicContact CE1-CB 4.36Å; F378-V415 HydrophobicContact CE1-CG1 3.83Å; V379-V415 HydrophobicContact CG2-CG2 4.05Å; L409-V415 PolarHBondContact O-N 3.04Å; H410-V415 VanDerWaalsContact CA-O 3.31Å; H410-V415 WeakPolarHBondContact CA-O 3.19Å; H410-V415 PolarHBondContact N-O 3.3Å; Q413-V415 HydrophobicContact CB-CG2 3.79Å; Q413-V415 WeakPolarHBondContact O-CG2 3.29Å; Q413-V415 PolarHBondContact O-N 3.41Å; V415-L417 HydrophobicContact CB-CD1 4.3Å; V415-L417 HydrophobicContact CG1-CD1 3.91Å; V415-L417 WeakPolarHBondContact O-CD1 3.38Å
416N88.3Confident83.3Confident105 Ų10561.9 Ų61.956%0.56130%0.303SS*.  trans-88.5126.2174.7-59.3-16.2000108.8H410H410-N416 PolarHBondContact CD2-OD1 3.15Å; H410-N416 PolarHBondContact NE2-OD1 3.04Å
417L91.3Very high81.5Confident19 Ų1967.9 Ų67.910%0.09933%0.331CS..  trans-112.3127173.2-68.679.5000108.3N267 Y269 F378 L396 I406 L409 V415N267-L417 HydrophobicContact CB-CG 4.1Å; N267-L417 WeakPolarHBondContact O-CA 3.37Å; Y269-L417 HydrophobicContact CD1-CB 3.74Å; Y269-L417 HydrophobicContact CG-CB 4.45Å; F378-L417 HydrophobicContact CE1-CD1 4.27Å; F378-L417 HydrophobicContact CE2-CD2 4.08Å; F378-L417 HydrophobicContact CZ-CD1 4.08Å; F378-L417 HydrophobicContact CZ-CD2 3.69Å; F378-L417 HydrophobicContact CZ-CG 4.12Å; L396-L417 HydrophobicContact CB-CD2 3.96Å; L396-L417 HydrophobicContact CD2-CD2 3.92Å; I406-L417 HydrophobicContact CD1-CD2 4.1Å; I406-L417 HydrophobicContact CG2-CB 4.27Å; L409-L417 HydrophobicContact CB-CD1 4.18Å; L409-L417 HydrophobicContact CD1-CD1 3.99Å; L409-L417 HydrophobicContact CD1-CD2 4.27Å; V415-L417 HydrophobicContact CB-CD1 4.3Å; V415-L417 HydrophobicContact CG1-CD1 3.91Å; V415-L417 WeakPolarHBondContact O-CD1 3.38Å
418L91.6Very high79.4Confident106 Ų10669 Ų6956%0.55533%0.332SS*.EExtended strand (participates in β ladder)trans-82137.6174.6-60.6175.7000109.7N267 F268 Y269 M420N267-L418 PolarHBondContact O-N 2.99Å; F268-L418 CarbonylContact C-O 3.56Å; F268-L418 WeakPolarHBondContact CA-O 3.38Å; F268-L418 HydrophobicContact CD1-CB 3.84Å; F268-L418 HydrophobicContact CE1-CB 4.15Å; F268-L418 HydrophobicContact CE1-CD1 4.18Å; Y269-L418 WeakPolarHBondContact CD1-O 3.19Å; Y269-L418 PolarHBondContact N-O 3.12Å; L418-M420 PolarHBondContact O-N 2.96Å
419H92.9Very high77.4Confident67 Ų6769.4 Ų69.431%0.3134%0.336SS..EExtended strand (participates in β ladder)trans-68.1130.3173.8-167.996.9000109.3Y269 E421Y269-H419 HydrophobicContact CD1-CB 4.48Å; Y269-H419 VanDerWaalsContact CE1-CA 3.46Å; Y269-H419 HydrophobicContact CE1-CB 3.71Å; Y269-H419 HydrophobicContact CE2-CB 4.5Å; Y269-H419 AromaticContact CE2-CE1 3.96Å; Y269-H419 AromaticContact CE2-ND1 3.22Å; Y269-H419 WeakPolarHBondContact CE2-ND1 3.37Å; Y269-H419 AromaticContact CZ-CG 3.83Å; Y269-H419 AromaticContact CZ-ND1 3.19Å; Y269-H419 PolarHBondContact OH-ND1 3.17Å; Y269-H419 VanDerWaalsContact OH-ND1 3.13Å; H419-E421 IonicContact CD2-OE1 2.86Å; H419-E421 PolarHBondContact CD2-OE1 3.05Å; H419-E421 IonicContact CD2-OE2 3.87Å; H419-E421 IonicContact NE2-OE1 3.99Å; H419-E421 IonicContact NE2-OE2 3.82Å; H419-E421 PolarHBondContact NE2-OE2 3.29Å
420M88.3Confident75.2Confident16 Ų1673.6 Ų73.68%0.07936%0.362CS..  trans-113.7110.7172.8-173.6178.6-75.800108.6F268 Y269 T270 W365 L395 L418 L425F268-M420 HydrophobicContact CB-CB 4.23Å; F268-M420 HydrophobicContact CB-CE 3.8Å; F268-M420 HydrophobicContact CD1-CB 4.37Å; F268-M420 HydrophobicContact CD1-CE 3.44Å; F268-M420 VanDerWaalsContact CD1-CE 3.44Å; F268-M420 HydrophobicContact CD2-CE 3.6Å; F268-M420 HydrophobicContact CE1-CE 3.79Å; F268-M420 HydrophobicContact CE2-CE 3.94Å; F268-M420 HydrophobicContact CG-CE 3.32Å; F268-M420 HydrophobicContact CZ-CE 4.03Å; Y269-M420 PolarHBondContact O-N 3.21Å; T270-M420 WeakPolarHBondContact CB-O 3.33Å; T270-M420 PolarHBondContact OG1-O 3.27Å; W365-M420 HydrophobicContact CH2-CE 3.87Å; W365-M420 HydrophobicContact CZ3-CE 4.28Å; L395-M420 HydrophobicContact CD1-CB 4.41Å; L395-M420 HydrophobicContact CD1-SD 4.13Å; L395-M420 HydrophobicContact CD2-SD 4.25Å; L418-M420 PolarHBondContact O-N 2.96Å; M420-L425 HydrophobicContact CG-CD1 4.16Å; M420-L425 HydrophobicContact CG-CD2 4.44Å; M420-L425 HydrophobicContact CG-CG 3.98Å; M420-L425 HydrophobicContact SD-CD1 4.21Å; M420-L425 HydrophobicContact SD-CD2 3.58Å; M420-L425 VanDerWaalsContact SD-CD2 3.58Å; M420-L425 HydrophobicContact SD-CG 3.79Å
421E83.7Confident73.1Confident94 Ų9474.5 Ų74.544%0.43938%0.376SS..  trans-65.3152.5-177.8-70.9-64.5171.500111.3H419 E423 E424 L425H419-E421 IonicContact CD2-OE1 2.86Å; H419-E421 PolarHBondContact CD2-OE1 3.05Å; H419-E421 IonicContact CD2-OE2 3.87Å; H419-E421 IonicContact NE2-OE1 3.99Å; H419-E421 IonicContact NE2-OE2 3.82Å; H419-E421 PolarHBondContact NE2-OE2 3.29Å; E421-E423 PolarHBondContact O-N 2.85Å; E421-E424 HydrophobicContact CB-CG 4.41Å; E421-E424 PolarHBondContact O-N 2.81Å; E421-L425 PolarHBondContact O-N 3.39Å
422R71.9Confident71.3Confident63 Ų6376.3 Ų76.324%0.23839%0.386CS..Hα-helixtrans-65.6-30.8-178.6-69.1-170.9-172.3-177.56.1111.6I271 E276 L425 N426I271-R422 VanDerWaalsContact O-CZ 3.28Å; I271-R422 PolarHBondContact O-NE 3.11Å; I271-R422 PolarHBondContact O-NH2 3.05Å; E276-R422 IonicContact OE1-NH1 2.76Å; E276-R422 IonicContact OE2-CZ 2.66Å; E276-R422 VanDerWaalsContact OE2-CZ 3.31Å; E276-R422 IonicContact OE2-NH1 3.74Å; E276-R422 PolarHBondContact OE2-NH1 2.99Å; E276-R422 IonicContact OE2-NH2 2.96Å; E276-R422 PolarHBondContact OE2-NH2 2.84Å; R422-L425 CarbonylContact O-C 3.58Å; R422-L425 WeakPolarHBondContact O-CB 3.29Å; R422-L425 PolarHBondContact O-N 2.85Å; R422-N426 WeakPolarHBondContact O-CB 3.42Å; R422-N426 VanDerWaalsContact O-CG 3.25Å; R422-N426 PolarHBondContact O-N 2.89Å; R422-N426 PolarHBondContact O-ND2 3.44Å
423E67.8Low69.6Low115 Ų11576.4 Ų76.454%0.53739%0.386SS..Hα-helixtrans-63.4-47.1179.7-69.366.6-148.100110E421 L425 N426 Q427E421-E423 PolarHBondContact O-N 2.85Å; E423-L425 PolarHBondContact O-N 3.13Å; E423-N426 CarbonylContact O-C 3.03Å; E423-N426 WeakPolarHBondContact O-CA 3.24Å; E423-N426 PolarHBondContact O-N 2.96Å; E423-Q427 VanDerWaalsContact O-CG 3.26Å; E423-Q427 WeakPolarHBondContact O-CG 3.41Å; E423-Q427 PolarHBondContact O-N 3.2Å
424E68Low68Low106 Ų10680.3 Ų80.350%0.49542%0.42SS..Hα-helixtrans-58.1-39.8175.2-64.1178.2-167.400111.4E421 N426E421-E424 HydrophobicContact CB-CG 4.41Å; E421-E424 PolarHBondContact O-N 2.81Å; E424-N426 VanDerWaalsContact C-N 3.25Å; E424-N426 PolarHBondContact O-N 2.93Å
425L67Low66.4Low5 Ų582 Ų823%0.02644%0.435CS..Hα-helixtrans-69.4-17.9174.5-74.1161.8000113.9T270 L280 F284 M287 L395 M420 E421 R422 E423T270-L425 HydrophobicContact CG2-CD1 4Å; L280-L425 HydrophobicContact CD1-CB 4.16Å; L280-L425 HydrophobicContact CD1-CD1 4.28Å; L280-L425 HydrophobicContact CD2-CD1 4.35Å; F284-L425 HydrophobicContact CD2-CD2 3.69Å; F284-L425 HydrophobicContact CE2-CD2 3.72Å; M287-L425 WeakPolarHBondContact CE-O 3.44Å; L395-L425 HydrophobicContact CD2-CD2 3.93Å; M420-L425 HydrophobicContact CG-CD1 4.16Å; M420-L425 HydrophobicContact CG-CD2 4.44Å; M420-L425 HydrophobicContact CG-CG 3.98Å; M420-L425 HydrophobicContact SD-CD1 4.21Å; M420-L425 HydrophobicContact SD-CD2 3.58Å; M420-L425 VanDerWaalsContact SD-CD2 3.58Å; M420-L425 HydrophobicContact SD-CG 3.79Å; E421-L425 PolarHBondContact O-N 3.39Å; R422-L425 CarbonylContact O-C 3.58Å; R422-L425 WeakPolarHBondContact O-CB 3.29Å; R422-L425 PolarHBondContact O-N 2.85Å; E423-L425 PolarHBondContact O-N 3.13Å
426N62.4Low64.8Low51 Ų5183.1 Ų83.127%0.27344%0.441SS..Hα-helixtrans-106.3-20.4-178.5-70.9-47.5000113.5R283 R422 E423 E424 H428 I429R283-N426 PolarHBondContact NH1-OD1 2.81Å; R422-N426 WeakPolarHBondContact O-CB 3.42Å; R422-N426 VanDerWaalsContact O-CG 3.25Å; R422-N426 PolarHBondContact O-N 2.89Å; R422-N426 PolarHBondContact O-ND2 3.44Å; E423-N426 CarbonylContact O-C 3.03Å; E423-N426 WeakPolarHBondContact O-CA 3.24Å; E423-N426 PolarHBondContact O-N 2.96Å; E424-N426 VanDerWaalsContact C-N 3.25Å; E424-N426 PolarHBondContact O-N 2.93Å; N426-H428 PolarHBondContact O-N 2.79Å; N426-I429 HydrophobicContact CB-CD1 4.26Å; N426-I429 PolarHBondContact O-N 2.94Å
427Q55.3Low63.2Low139 Ų13982.2 Ų82.265%0.6544%0.44SS*.THydrogen-bonded Turntrans-56.8-22.1-170.5-87.8171.825.700114.5E423E423-Q427 VanDerWaalsContact O-CG 3.26Å; E423-Q427 WeakPolarHBondContact O-CG 3.41Å; E423-Q427 PolarHBondContact O-N 3.2Å
428H48.9Very low61.5Low133 Ų13384.8 Ų84.862%0.61645%0.45SS*.THydrogen-bonded Turntrans-10612.8178.5-60.2-70.3000115.3M287 N426 T430M287-H428 HydrophobicContact CE-CB 3.69Å; M287-H428 HydrophobicContact CG-CB 4.05Å; M287-H428 HydrophobicContact SD-CB 4.37Å; N426-H428 PolarHBondContact O-N 2.79Å; H428-T430 PolarHBondContact O-N 2.83Å
429I49.7Very low60Low63 Ų6386 Ų8632%0.32346%0.457SS..  trans-75.283.5166.8-54.7165.4000106.6R283 M287 N426R283-I429 HydrophobicContact CB-CD1 3.85Å; R283-I429 HydrophobicContact CB-CG1 4.43Å; R283-I429 HydrophobicContact CG-CD1 3.57Å; R283-I429 HydrophobicContact CG-CG1 4.46Å; M287-I429 HydrophobicContact SD-CG1 4.1Å; N426-I429 HydrophobicContact CB-CD1 4.26Å; N426-I429 PolarHBondContact O-N 2.94Å
430T44.6Very low59.2Low87 Ų8783.9 Ų83.953%0.53445%0.45SS..  trans-44.4140.8159-31.90000106.9H428 L432H428-T430 PolarHBondContact O-N 2.83Å; T430-L432 HydrophobicContact CG2-CD1 4.04Å; T430-L432 HydrophobicContact CG2-CG 4.01Å; T430-L432 PolarHBondContact O-N 3.41Å
431P45.5Very low59Low111 Ų11183.1 Ų83.172%0.72145%0.446SS*.SBendtrans-66.223.3-177.726.1-34.8000114.4I433 A434P431-I433 CarbonylContact O-C 3.49Å; P431-I433 PolarHBondContact O-N 3.48Å; P431-A434 PolarHBondContact O-N 2.84Å
432L47.7Very low59Low148 Ų14879.6 Ų79.678%0.77543%0.433SS*.SBendtrans-54.9-6.6177.4-78.5165.4000114.5T430T430-L432 HydrophobicContact CG2-CD1 4.04Å; T430-L432 HydrophobicContact CG2-CG 4.01Å; T430-L432 PolarHBondContact O-N 3.41Å
433I49.4Very low59.8Low81 Ų8179.6 Ų79.642%0.41544%0.436SS..SBendtrans-13692.5162.5-49.9177.5000107.3L286 P431 V435 D436L286-I433 HydrophobicContact CD1-CD1 3.72Å; P431-I433 CarbonylContact O-C 3.49Å; P431-I433 PolarHBondContact O-N 3.48Å; I433-V435 PolarHBondContact O-N 2.95Å; I433-D436 HydrophobicContact CB-CB 4.46Å; I433-D436 HydrophobicContact CG2-CB 4.29Å; I433-D436 PolarHBondContact O-N 2.94Å
434A47.9Very low60.9Low96 Ų9678.1 Ų78.179%0.79343%0.426SS*.THydrogen-bonded Turntrans-60.89.6-172.200000116.7P431P431-A434 PolarHBondContact O-N 2.84Å
435V46.6Very low62.1Low112 Ų11273.2 Ų73.268%0.67940%0.402SS*.THydrogen-bonded Turntrans-149.740.3-177-160.20000112.4I433 S440I433-V435 PolarHBondContact O-N 2.95Å; V435-S440 VanDerWaalsContact O-CB 3.23Å; V435-S440 WeakPolarHBondContact O-CB 3.35Å; V435-S440 PolarHBondContact O-OG 3Å
436D52.1Low63.3Low28 Ų2874.3 Ų74.315%0.1541%0.406CS..  trans-103.954.6-179.1-121.521.3000113.6R283 I433 S440 I441 R444R283-D436 PolarHBondContact NH2-O 2.81Å; I433-D436 HydrophobicContact CB-CB 4.46Å; I433-D436 HydrophobicContact CG2-CB 4.29Å; I433-D436 PolarHBondContact O-N 2.94Å; D436-S440 VanDerWaalsContact CA-OG 3.32Å; D436-S440 WeakPolarHBondContact CA-OG 3.34Å; D436-S440 PolarHBondContact OD1-OG 3Å; D436-S440 VanDerWaalsContact OD1-OG 3.09Å; D436-I441 VanDerWaalsContact OD1-CG1 3.26Å; D436-I441 WeakPolarHBondContact OD1-CG1 3.3Å; D436-I441 WeakPolarHBondContact OD2-CD1 3.45Å; D436-R444 IonicContact OD1-NH1 3.76Å; D436-R444 PolarHBondContact OD1-NH1 3.38Å; D436-R444 IonicContact OD2-NH1 2.87Å
437T55.5Low64.7Low86 Ų8674.7 Ų74.753%0.52841%0.408SS..  trans-63.7156.9162.255.40000109.8D439 S440 I441T437-D439 PolarHBondContact O-N 3.34Å; T437-S440 WeakPolarHBondContact O-CB 3.29Å; T437-S440 PolarHBondContact O-N 2.9Å; T437-S440 PolarHBondContact O-OG 2.68Å; T437-I441 PolarHBondContact O-N 2.72Å
438K55.5Low66.5Low74 Ų7469.8 Ų69.832%0.32239%0.386SS..Hα-helixtrans-52.7-40.7178.3-69.7172.6171.4178.50111.7E276 S440 I441 A442E276-K438 VanDerWaalsContact CD-NZ 3.26Å; E276-K438 HydrophobicContact CG-CD 4.17Å; E276-K438 WeakPolarHBondContact OE1-CD 3.42Å; E276-K438 VanDerWaalsContact OE1-CE 3.23Å; E276-K438 WeakPolarHBondContact OE1-CE 3.47Å; E276-K438 IonicContact OE1-NZ 3.76Å; E276-K438 PolarHBondContact OE1-NZ 3.48Å; E276-K438 IonicContact OE2-NZ 3.33Å; E276-K438 PolarHBondContact OE2-NZ 3.46Å; K438-S440 PolarHBondContact O-N 3.32Å; K438-I441 PolarHBondContact O-N 3.31Å; K438-A442 PolarHBondContact O-N 3.46Å
439D59.2Low68.6Low130 Ų13063.4 Ų63.470%0.69536%0.357SS*.Hα-helixtrans-60.9-31.7176.8-60-43.5000112.7T437 E443T437-D439 PolarHBondContact O-N 3.34Å; D439-E443 VanDerWaalsContact O-CB 3.28Å; D439-E443 WeakPolarHBondContact O-CB 3.25Å; D439-E443 PolarHBondContact O-N 3.4Å
440S75.8Confident70.7Confident23 Ų2363.2 Ų63.216%0.16135%0.354CS..Hα-helixtrans-74.5-39.5-178.490.40000112.1V435 D436 T437 K438 R444V435-S440 VanDerWaalsContact O-CB 3.23Å; V435-S440 WeakPolarHBondContact O-CB 3.35Å; V435-S440 PolarHBondContact O-OG 3Å; D436-S440 VanDerWaalsContact CA-OG 3.32Å; D436-S440 WeakPolarHBondContact CA-OG 3.34Å; D436-S440 PolarHBondContact OD1-OG 3Å; D436-S440 VanDerWaalsContact OD1-OG 3.09Å; T437-S440 WeakPolarHBondContact O-CB 3.29Å; T437-S440 PolarHBondContact O-N 2.9Å; T437-S440 PolarHBondContact O-OG 2.68Å; K438-S440 PolarHBondContact O-N 3.32Å; S440-R444 VanDerWaalsContact O-CB 3.31Å; S440-R444 WeakPolarHBondContact O-CB 3.35Å; S440-R444 VanDerWaalsContact O-CD 3.31Å; S440-R444 WeakPolarHBondContact O-CD 3.42Å; S440-R444 WeakPolarHBondContact O-CG 3.34Å; S440-R444 PolarHBondContact O-N 2.87Å
441I84.1Confident73Confident0 Ų066.3 Ų66.30%036%0.36CS..Hα-helixtrans-68.6-45.7175.8-63.2178.4000110.2S279 V282 L313 D436 T437 K438 E443 R444 I445S279-I441 WeakPolarHBondContact OG-CB 3.23Å; S279-I441 WeakPolarHBondContact OG-CG2 3.4Å; V282-I441 HydrophobicContact CB-CD1 4.25Å; V282-I441 HydrophobicContact CG1-CD1 4.18Å; L313-I441 HydrophobicContact CD1-CG2 3.95Å; D436-I441 VanDerWaalsContact OD1-CG1 3.26Å; D436-I441 WeakPolarHBondContact OD1-CG1 3.3Å; D436-I441 WeakPolarHBondContact OD2-CD1 3.45Å; T437-I441 PolarHBondContact O-N 2.72Å; K438-I441 PolarHBondContact O-N 3.31Å; I441-E443 VanDerWaalsContact C-N 3.31Å; I441-E443 PolarHBondContact O-N 2.8Å; I441-R444 WeakPolarHBondContact O-CB 3.27Å; I441-R444 PolarHBondContact O-N 2.86Å; I441-R444 VanDerWaalsContact O-N 3.12Å; I441-I445 HydrophobicContact CG2-CD1 3.97Å; I441-I445 HydrophobicContact CG2-CG1 4.28Å; I441-I445 VanDerWaalsContact O-CG1 3.28Å; I441-I445 WeakPolarHBondContact O-CG1 3.47Å; I441-I445 PolarHBondContact O-N 2.92Å
442A84.9Confident75.2Confident20 Ų2062.5 Ų62.517%0.16533%0.333CS..Hα-helixtrans-57.7-44.5177.500000111.4K438 I445 R446K438-A442 PolarHBondContact O-N 3.46Å; A442-I445 PolarHBondContact O-N 3.29Å; A442-R446 WeakPolarHBondContact O-CB 3.44Å; A442-R446 PolarHBondContact O-N 2.79Å
443E87.4Confident77.4Confident64 Ų6458.1 Ų58.130%0.29931%0.308SS..Hα-helixtrans-69.6-33.3176.6-169.854.5-149.600112.3D439 I441 R446 N447 K450D439-E443 VanDerWaalsContact O-CB 3.28Å; D439-E443 WeakPolarHBondContact O-CB 3.25Å; D439-E443 PolarHBondContact O-N 3.4Å; I441-E443 VanDerWaalsContact C-N 3.31Å; I441-E443 PolarHBondContact O-N 2.8Å; E443-R446 PolarHBondContact O-N 2.9Å; E443-R446 IonicContact OE2-CZ 3.31Å; E443-R446 IonicContact OE2-NH1 3.16Å; E443-R446 PolarHBondContact OE2-NH1 2.95Å; E443-N447 VanDerWaalsContact O-CB 3.29Å; E443-N447 WeakPolarHBondContact O-CB 3.21Å; E443-N447 PolarHBondContact O-N 3.46Å; E443-N447 PolarHBondContact O-ND2 3.47Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; E443-N447 PolarHBondContact OE1-OD1 2.84Å; E443-K450 IonicContact OE1-NZ 3.12Å; E443-K450 PolarHBondContact OE1-NZ 3.01Å
444R90.6Very high79.5Confident84 Ų8456.2 Ų56.232%0.31730%0.299SS..Hα-helixtrans-63.7-43172-73.8164.570-164.3-0.2111.7L313 D436 S440 I441 R446 N447 L448L313-R444 HydrophobicContact CD2-CB 3.68Å; L313-R444 PolarHBondContact O-NH2 2.9Å; D436-R444 IonicContact OD1-NH1 3.76Å; D436-R444 PolarHBondContact OD1-NH1 3.38Å; D436-R444 IonicContact OD2-NH1 2.87Å; S440-R444 VanDerWaalsContact O-CB 3.31Å; S440-R444 WeakPolarHBondContact O-CB 3.35Å; S440-R444 VanDerWaalsContact O-CD 3.31Å; S440-R444 WeakPolarHBondContact O-CD 3.42Å; S440-R444 WeakPolarHBondContact O-CG 3.34Å; S440-R444 PolarHBondContact O-N 2.87Å; I441-R444 WeakPolarHBondContact O-CB 3.27Å; I441-R444 PolarHBondContact O-N 2.86Å; I441-R444 VanDerWaalsContact O-N 3.12Å; R444-R446 VanDerWaalsContact C-N 3.35Å; R444-N447 PolarHBondContact O-N 2.96Å; R444-L448 WeakPolarHBondContact O-CG 3.28Å; R444-L448 PolarHBondContact O-N 3.33Å
445I93Very high81.7Confident2 Ų252.3 Ų52.31%0.0126%0.264CS..Hα-helixtrans-60.1-47.2173.9-64.7170.9000109.8I278 I309 L313 I441 A442 N447 L448 C449I278-I445 HydrophobicContact CB-CD1 4.08Å; I278-I445 HydrophobicContact CG2-CD1 3.77Å; I309-I445 HydrophobicContact CD1-CG2 3.88Å; I309-I445 HydrophobicContact CG1-CG2 4.45Å; I309-I445 HydrophobicContact CG2-CD1 4.13Å; I309-I445 HydrophobicContact CG2-CG1 3.77Å; I309-I445 HydrophobicContact CG2-CG2 4.28Å; L313-I445 HydrophobicContact CD1-CD1 4.21Å; L313-I445 HydrophobicContact CD1-CG1 3.8Å; L313-I445 HydrophobicContact CD2-CG1 4.15Å; L313-I445 HydrophobicContact CG-CG1 4.41Å; I441-I445 HydrophobicContact CG2-CD1 3.97Å; I441-I445 HydrophobicContact CG2-CG1 4.28Å; I441-I445 VanDerWaalsContact O-CG1 3.28Å; I441-I445 WeakPolarHBondContact O-CG1 3.47Å; I441-I445 PolarHBondContact O-N 2.92Å; A442-I445 PolarHBondContact O-N 3.29Å; I445-N447 VanDerWaalsContact C-N 3.33Å; I445-N447 PolarHBondContact O-N 3.4Å; I445-L448 WeakPolarHBondContact O-CB 3.49Å; I445-L448 PolarHBondContact O-N 3.24Å; I445-C449 PolarHBondContact O-N 3.04Å; I445-C449 PolarHBondContact O-SG 3.43Å; I445-C449 VanDerWaalsContact O-SG 3.36Å
446R92.3Very high84Confident28 Ų2847.3 Ų47.311%0.10623%0.233CC..Hα-helixtrans-59.8-44177.5-165.7-178.7-79.1131.9-4.8111.2A442 E443 R444 L448 C449 K450 N491 L496 N513A442-R446 WeakPolarHBondContact O-CB 3.44Å; A442-R446 PolarHBondContact O-N 2.79Å; E443-R446 PolarHBondContact O-N 2.9Å; E443-R446 IonicContact OE2-CZ 3.31Å; E443-R446 IonicContact OE2-NH1 3.16Å; E443-R446 PolarHBondContact OE2-NH1 2.95Å; R444-R446 VanDerWaalsContact C-N 3.35Å; R446-L448 PolarHBondContact O-N 3.32Å; R446-C449 CarbonylContact O-C 3.59Å; R446-C449 WeakPolarHBondContact O-CA 3.41Å; R446-C449 WeakPolarHBondContact O-CB 3.5Å; R446-C449 PolarHBondContact O-N 2.91Å; R446-C449 VanDerWaalsContact O-N 3.09Å; R446-K450 WeakPolarHBondContact O-CG 3.27Å; R446-K450 PolarHBondContact O-N 3.2Å; R446-N491 PolarHBondContact NH2-OD1 2.81Å; R446-L496 HydrophobicContact CG-CD2 3.51Å; R446-N513 PolarHBondContact NH2-O 3.33Å
447N92.2Very high86.1Confident59 Ų5948.9 Ų48.932%0.31624%0.24SC..Hα-helixtrans-65.6-34.6176.9-73.8-28.6000113.1E443 R444 I445 C449 K450 K451E443-N447 VanDerWaalsContact O-CB 3.29Å; E443-N447 WeakPolarHBondContact O-CB 3.21Å; E443-N447 PolarHBondContact O-N 3.46Å; E443-N447 PolarHBondContact O-ND2 3.47Å; E443-N447 VanDerWaalsContact O-ND2 3.16Å; E443-N447 PolarHBondContact OE1-OD1 2.84Å; R444-N447 PolarHBondContact O-N 2.96Å; I445-N447 VanDerWaalsContact C-N 3.33Å; I445-N447 PolarHBondContact O-N 3.4Å; N447-C449 VanDerWaalsContact C-N 3.31Å; N447-K450 PolarHBondContact O-N 3.35Å; N447-K450 PolarHBondContact OD1-NZ 3.15Å; N447-K451 VanDerWaalsContact O-CG 3.28Å; N447-K451 WeakPolarHBondContact O-CG 3.48Å; N447-K451 PolarHBondContact O-N 3.08Å; N447-K451 VanDerWaalsContact O-N 3.12Å
448L93.6Very high88Confident36 Ų3647.6 Ų47.619%0.18823%0.227CC..Hα-helixtrans-61.7-41.6169.9-70.5172.8000111I309 L313 R444 I445 R446 K451 D452 L455I309-L448 HydrophobicContact CD1-CD1 4.35Å; L313-L448 HydrophobicContact CD2-CD1 4.01Å; L313-L448 HydrophobicContact CG-CD1 4.2Å; R444-L448 WeakPolarHBondContact O-CG 3.28Å; R444-L448 PolarHBondContact O-N 3.33Å; I445-L448 WeakPolarHBondContact O-CB 3.49Å; I445-L448 PolarHBondContact O-N 3.24Å; R446-L448 PolarHBondContact O-N 3.32Å; L448-K451 PolarHBondContact O-N 3.46Å; L448-D452 PolarHBondContact O-N 3.4Å; L448-L455 HydrophobicContact CB-CD2 3.83Å
449C94.1Very high90Very high0 Ų044.1 Ų44.10%021%0.212CC..Hα-helixtrans-69.3-34.5177.4-62.50000112.9Y305 I445 R446 N447 K451 H456Y305-C449 PolarHBondContact OH-SG 2.94Å; I445-C449 PolarHBondContact O-N 3.04Å; I445-C449 PolarHBondContact O-SG 3.43Å; I445-C449 VanDerWaalsContact O-SG 3.36Å; R446-C449 CarbonylContact O-C 3.59Å; R446-C449 WeakPolarHBondContact O-CA 3.41Å; R446-C449 WeakPolarHBondContact O-CB 3.5Å; R446-C449 PolarHBondContact O-N 2.91Å; R446-C449 VanDerWaalsContact O-N 3.09Å; N447-C449 VanDerWaalsContact C-N 3.31Å; C449-K451 VanDerWaalsContact C-N 3.3Å; C449-K451 PolarHBondContact O-N 3.31Å; C449-H456 HydrophobicContact CB-CB 4.46Å
450K93.3Very high91.8Very high59 Ų5940.3 Ų40.326%0.25719%0.191SC..Hα-helixtrans-64.8-32.7172.5-66.8174.7-168.9155.30112.4E443 R446 N447 L496 V517 L522E443-K450 IonicContact OE1-NZ 3.12Å; E443-K450 PolarHBondContact OE1-NZ 3.01Å; R446-K450 WeakPolarHBondContact O-CG 3.27Å; R446-K450 PolarHBondContact O-N 3.2Å; N447-K450 PolarHBondContact O-N 3.35Å; N447-K450 PolarHBondContact OD1-NZ 3.15Å; K450-L496 HydrophobicContact CG-CD1 4.05Å; K450-L496 HydrophobicContact CG-CD2 3.62Å; K450-V517 HydrophobicContact CD-CG2 3.94Å; K450-V517 HydrophobicContact CG-CG2 4.11Å; K450-L522 VanDerWaalsContact O-CD2 3.22Å; K450-L522 WeakPolarHBondContact O-CD2 3.38Å
451K91.6Very high92.8Very high152 Ų15246.7 Ų46.766%0.66121%0.211SC*.Hα-helixtrans-82-17.6-176.7-73.9175.8-177.8-177.20114.4N447 L448 C449N447-K451 VanDerWaalsContact O-CG 3.28Å; N447-K451 WeakPolarHBondContact O-CG 3.48Å; N447-K451 PolarHBondContact O-N 3.08Å; N447-K451 VanDerWaalsContact O-N 3.12Å; L448-K451 PolarHBondContact O-N 3.46Å; C449-K451 VanDerWaalsContact C-N 3.3Å; C449-K451 PolarHBondContact O-N 3.31Å
452D93.1Very high93.5Very high30 Ų3046.7 Ų46.716%0.1621%0.211CC..  trans-144.3110.7-178.2-177.619.4000112.1L448 L454 L455 H456 R525L448-D452 PolarHBondContact O-N 3.4Å; D452-L454 PolarHBondContact O-N 2.98Å; D452-L454 PolarHBondContact OD1-N 3.44Å; D452-L454 VanDerWaalsContact OD1-N 3.15Å; D452-L455 HydrophobicContact CB-CB 4Å; D452-L455 WeakPolarHBondContact O-CB 3.5Å; D452-L455 PolarHBondContact O-N 3.25Å; D452-H456 PolarHBondContact O-N 3.46Å; D452-H456 VanDerWaalsContact O-N 3.07Å; D452-R525 HydrophobicContact CB-CB 3.96Å; D452-R525 PolarHBondContact OD1-N 3.02Å; D452-R525 VanDerWaalsContact OD1-N 3.15Å
453K93.2Very high94.1Very high56 Ų5645.7 Ų45.724%0.24320%0.203CC..Hα-helixtrans-55.4-37.3176.4-178163.8175.5172.60112.9L455 H456 E457 L522 T523 Y524K453-L455 VanDerWaalsContact C-N 3.31Å; K453-L455 PolarHBondContact O-N 3.29Å; K453-H456 PolarHBondContact O-N 2.91Å; K453-E457 WeakPolarHBondContact O-CG 3.07Å; K453-E457 PolarHBondContact O-N 3Å; K453-L522 HydrophobicContact CB-CB 3.94Å; K453-L522 HydrophobicContact CD-CB 4.18Å; K453-L522 WeakPolarHBondContact CD-O 3.32Å; K453-L522 HydrophobicContact CG-CB 4.24Å; K453-T523 WeakPolarHBondContact CB-O 3.5Å; K453-T523 PolarHBondContact N-O 3.2Å; K453-Y524 HydrophobicContact CB-CD1 3.92Å; K453-Y524 HydrophobicContact CB-CE1 3.94Å; K453-Y524 HydrophobicContact CB-CG 4.33Å; K453-Y524 HydrophobicContact CD-CE1 4.26Å; K453-Y524 HydrophobicContact CD-CE2 3.98Å; K453-Y524 HydrophobicContact CG-CD1 4.35Å; K453-Y524 HydrophobicContact CG-CE1 3.86Å; K453-Y524 HydrophobicContact CG-CE2 4.47Å
454L93Very high94.6Very high42 Ų4244.9 Ų44.922%0.2220%0.203CC..Hα-helixtrans-65-38.9179179.464.4000111.4D452 E457 K458 Y524 V529D452-L454 PolarHBondContact O-N 2.98Å; D452-L454 PolarHBondContact OD1-N 3.44Å; D452-L454 VanDerWaalsContact OD1-N 3.15Å; L454-E457 PolarHBondContact O-N 3.49Å; L454-K458 WeakPolarHBondContact O-CG 3.42Å; L454-K458 PolarHBondContact O-N 3.45Å; L454-Y524 HydrophobicContact CB-CD1 3.88Å; L454-Y524 HydrophobicContact CB-CE1 4.09Å; L454-V529 HydrophobicContact CD2-CG1 4.34Å; L454-V529 HydrophobicContact CD2-CG2 4.4Å
455L95Very high94.8Very high14 Ų1442.3 Ų42.37%0.07320%0.197CC..Hα-helixtrans-67.8-40.5177.1-174.258.7000111.2Y305 C308 I309 L448 D452 K453 K458 A459Y305-L455 HydrophobicContact CD2-CD1 3.83Å; Y305-L455 HydrophobicContact CE2-CD1 3.75Å; Y305-L455 HydrophobicContact CE2-CG 4.19Å; C308-L455 HydrophobicContact CB-CD1 3.6Å; I309-L455 HydrophobicContact CD1-CD1 4.15Å; I309-L455 HydrophobicContact CD1-CD2 3.95Å; I309-L455 HydrophobicContact CD1-CG 4.26Å; L448-L455 HydrophobicContact CB-CD2 3.83Å; D452-L455 HydrophobicContact CB-CB 4Å; D452-L455 WeakPolarHBondContact O-CB 3.5Å; D452-L455 PolarHBondContact O-N 3.25Å; K453-L455 VanDerWaalsContact C-N 3.31Å; K453-L455 PolarHBondContact O-N 3.29Å; L455-K458 WeakPolarHBondContact O-CB 3.25Å; L455-K458 PolarHBondContact O-N 3.26Å; L455-A459 PolarHBondContact O-N 3.15Å
456H95.1Very high95Very high6 Ų642.2 Ų42.23%0.02820%0.197CC..Hα-helixtrans-60.1-44.5172.7176.865.8000112.6C449 D452 K453 K458 A459 I460 L522C449-H456 HydrophobicContact CB-CB 4.46Å; D452-H456 PolarHBondContact O-N 3.46Å; D452-H456 VanDerWaalsContact O-N 3.07Å; K453-H456 PolarHBondContact O-N 2.91Å; H456-K458 VanDerWaalsContact C-N 3.31Å; H456-K458 PolarHBondContact O-N 2.88Å; H456-A459 VanDerWaalsContact O-CB 3.32Å; H456-A459 WeakPolarHBondContact O-CB 3.28Å; H456-A459 PolarHBondContact O-N 3.36Å; H456-A459 VanDerWaalsContact O-N 3.14Å; H456-I460 WeakPolarHBondContact NE2-CD1 3.31Å; H456-I460 PolarHBondContact O-N 2.87Å; H456-L522 HydrophobicContact CB-CD1 4.41Å
457E94.7Very high95.2Very high61 Ų6141 Ų4129%0.28519%0.192SC..Hα-helixtrans-60.6-39.9174.4-72.6-179.4172.700112.3K453 L454 R461 Y524 R533K453-E457 WeakPolarHBondContact O-CG 3.07Å; K453-E457 PolarHBondContact O-N 3Å; L454-E457 PolarHBondContact O-N 3.49Å; E457-R461 WeakPolarHBondContact O-CB 3.46Å; E457-R461 PolarHBondContact O-N 3.03Å; E457-Y524 PolarHBondContact OE1-OH 3.32Å; E457-R533 IonicContact OE2-CZ 3Å; E457-R533 IonicContact OE2-NH2 4Å; E457-R533 PolarHBondContact OE2-NH2 2.94Å
458K96.1Very high95.3Very high60 Ų6040.5 Ų40.526%0.26119%0.188SC..Hα-helixtrans-64.2-40.1174.1-75.5175.3178.5173.70111.7Y305 C308 L454 L455 H456 R461 A462Y305-K458 HydrophobicContact CD2-CB 3.93Å; C308-K458 PolarHBondContact SG-NZ 2.82Å; L454-K458 WeakPolarHBondContact O-CG 3.42Å; L454-K458 PolarHBondContact O-N 3.45Å; L455-K458 WeakPolarHBondContact O-CB 3.25Å; L455-K458 PolarHBondContact O-N 3.26Å; H456-K458 VanDerWaalsContact C-N 3.31Å; H456-K458 PolarHBondContact O-N 2.88Å; K458-R461 PolarHBondContact O-N 2.82Å; K458-A462 VanDerWaalsContact O-CB 3.25Å; K458-A462 WeakPolarHBondContact O-CB 3.32Å; K458-A462 PolarHBondContact O-N 3.45Å
459A97.7Very high95.3Very high0 Ų040 Ų400%019%0.185CC..Hα-helixtrans-58.9-50.1176.900000110.8Y305 L455 H456 R461 A462 F463 L495Y305-A459 HydrophobicContact CD2-CB 3.97Å; Y305-A459 HydrophobicContact CE1-CB 4.24Å; Y305-A459 HydrophobicContact CE2-CB 3.35Å; L455-A459 PolarHBondContact O-N 3.15Å; H456-A459 VanDerWaalsContact O-CB 3.32Å; H456-A459 WeakPolarHBondContact O-CB 3.28Å; H456-A459 PolarHBondContact O-N 3.36Å; H456-A459 VanDerWaalsContact O-N 3.14Å; A459-R461 PolarHBondContact O-N 3.27Å; A459-A462 PolarHBondContact O-N 2.81Å; A459-F463 WeakPolarHBondContact O-CB 3.24Å; A459-F463 PolarHBondContact O-N 2.92Å; A459-L495 HydrophobicContact CB-CD2 3.66Å
460I96.8Very high95.3Very high50 Ų5040.3 Ų40.326%0.25619%0.186SC..Hα-helixtrans-58.2-48.2176.1-69.7168.8000110.7H456 A462 F463 V464 L495 P499H456-I460 WeakPolarHBondContact NE2-CD1 3.31Å; H456-I460 PolarHBondContact O-N 2.87Å; I460-A462 VanDerWaalsContact C-N 3.33Å; I460-A462 PolarHBondContact O-N 3.38Å; I460-F463 PolarHBondContact O-N 3.49Å; I460-V464 HydrophobicContact CG2-CG2 4.31Å; I460-V464 VanDerWaalsContact O-CG2 3.3Å; I460-V464 WeakPolarHBondContact O-CG2 3.33Å; I460-V464 PolarHBondContact O-N 3.39Å; I460-L495 HydrophobicContact CG1-CD2 4.1Å; I460-P499 HydrophobicContact CG2-CB 3.95Å
461R97.3Very high95.2Very high157 Ų15741.9 Ų41.959%0.59219%0.19SC*.Hα-helixtrans-61.8-41.9-179.8-175.1-179.8-176.9176.23.2112A301 E457 K458 A459 S465A301-R461 HydrophobicContact CB-CG 4.16Å; E457-R461 WeakPolarHBondContact O-CB 3.46Å; E457-R461 PolarHBondContact O-N 3.03Å; K458-R461 PolarHBondContact O-N 2.82Å; A459-R461 PolarHBondContact O-N 3.27Å; R461-S465 VanDerWaalsContact O-CB 3.28Å; R461-S465 WeakPolarHBondContact O-CB 3.48Å; R461-S465 PolarHBondContact O-N 2.85Å; R461-S465 PolarHBondContact O-OG 3.42Å
462A98Very high95.2Very high0 Ų041.6 Ų41.60%019%0.189CC..Hα-helixtrans-63.4-50.1177.600000110.4A301 Y305 K458 A459 I460 V464 S465 Y466 F493A301-A462 HydrophobicContact CB-CB 4.32Å; Y305-A462 HydrophobicContact CD1-CB 4.04Å; Y305-A462 HydrophobicContact CG-CB 4.02Å; K458-A462 VanDerWaalsContact O-CB 3.25Å; K458-A462 WeakPolarHBondContact O-CB 3.32Å; K458-A462 PolarHBondContact O-N 3.45Å; A459-A462 PolarHBondContact O-N 2.81Å; I460-A462 VanDerWaalsContact C-N 3.33Å; I460-A462 PolarHBondContact O-N 3.38Å; A462-V464 PolarHBondContact O-N 3.27Å; A462-S465 PolarHBondContact O-N 2.89Å; A462-S465 PolarHBondContact O-OG 3.3Å; A462-Y466 WeakPolarHBondContact O-CB 3.48Å; A462-Y466 PolarHBondContact O-N 3.34Å; A462-F493 HydrophobicContact CB-CD1 4.05Å; A462-F493 HydrophobicContact CB-CE1 3.74Å
463F98.1Very high95.1Very high0 Ų040.3 Ų40.30%018%0.182CC..Hα-helixtrans-57-52.2177.5179.6-89.7000112.1A459 I460 S465 Y466 V467 Y486 L489 A490 F493 L495 P499 M501 L504A459-F463 WeakPolarHBondContact O-CB 3.24Å; A459-F463 PolarHBondContact O-N 2.92Å; I460-F463 PolarHBondContact O-N 3.49Å; F463-S465 VanDerWaalsContact C-N 3.27Å; F463-S465 PolarHBondContact O-N 3.14Å; F463-Y466 WeakPolarHBondContact O-CB 3.37Å; F463-Y466 PolarHBondContact O-N 3.23Å; F463-Y466 VanDerWaalsContact O-N 3.13Å; F463-V467 HydrophobicContact CD1-CG2 4.32Å; F463-V467 HydrophobicContact CE1-CG2 3.94Å; F463-V467 HydrophobicContact CZ-CG2 4.08Å; F463-V467 WeakPolarHBondContact O-CG2 3.36Å; F463-V467 PolarHBondContact O-N 3.36Å; F463-Y486 HydrophobicContact CZ-CD1 4.17Å; F463-L489 HydrophobicContact CD2-CD2 4.01Å; F463-L489 HydrophobicContact CD2-CG 4.02Å; F463-L489 HydrophobicContact CE2-CB 4.05Å; F463-L489 HydrophobicContact CE2-CD2 3.57Å; F463-L489 HydrophobicContact CE2-CG 3.69Å; F463-L489 HydrophobicContact CZ-CD2 4.28Å; F463-A490 HydrophobicContact CD2-CB 4.41Å; F463-A490 HydrophobicContact CE2-CB 3.8Å; F463-A490 HydrophobicContact CZ-CB 4.27Å; F463-F493 HydrophobicContact CB-CD1 3.87Å; F463-F493 HydrophobicContact CB-CE1 4.28Å; F463-F493 HydrophobicContact CB-CG 4.32Å; F463-F493 HydrophobicContact CD2-CB 4.44Å; F463-F493 HydrophobicContact CD2-CD2 4.46Å; F463-F493 HydrophobicContact CD2-CG 4.25Å; F463-L495 HydrophobicContact CB-CD1 3.95Å; F463-L495 HydrophobicContact CB-CD2 4.5Å; F463-L495 HydrophobicContact CD1-CD1 4.03Å; F463-L495 HydrophobicContact CD2-CD1 3.77Å; F463-L495 HydrophobicContact CE1-CD1 4.48Å; F463-L495 HydrophobicContact CE2-CD1 4.24Å; F463-L495 HydrophobicContact CG-CD1 3.64Å; F463-P499 HydrophobicContact CD1-CG 3.75Å; F463-P499 HydrophobicContact CE1-CG 3.97Å; F463-M501 HydrophobicContact CD1-SD 4.37Å; F463-M501 HydrophobicContact CE1-SD 4.04Å; F463-L504 HydrophobicContact CE1-CD1 4.19Å; F463-L504 HydrophobicContact CE1-CD2 4.23Å; F463-L504 HydrophobicContact CZ-CD2 4.16Å
464V97.4Very high94.8Very high46 Ų4643.7 Ų43.728%0.27920%0.199SC..Hα-helixtrans-59.4-41.6178.5173.20000110.6I460 A462 Q468 P499 M501I460-V464 HydrophobicContact CG2-CG2 4.31Å; I460-V464 VanDerWaalsContact O-CG2 3.3Å; I460-V464 WeakPolarHBondContact O-CG2 3.33Å; I460-V464 PolarHBondContact O-N 3.39Å; A462-V464 PolarHBondContact O-N 3.27Å; V464-Q468 HydrophobicContact CG1-CG 4.45Å; V464-Q468 WeakPolarHBondContact O-CB 3.3Å; V464-Q468 WeakPolarHBondContact O-CG 3.37Å; V464-Q468 PolarHBondContact O-N 3.31Å; V464-P499 HydrophobicContact CG2-CB 4.03Å; V464-P499 HydrophobicContact CG2-CG 3.87Å; V464-M501 HydrophobicContact CG1-CE 4.4Å; V464-M501 HydrophobicContact CG2-SD 3.98Å
465S96.5Very high94.5Very high30 Ų3042.4 Ų42.421%0.2119%0.193CC..Hα-helixtrans-67.2-36.4178.772.30000113.1T299 A301 R461 A462 F463 Q468 F469T299-S465 PolarHBondContact OG1-OG 3.36Å; A301-S465 WeakPolarHBondContact CB-OG 3.44Å; R461-S465 VanDerWaalsContact O-CB 3.28Å; R461-S465 WeakPolarHBondContact O-CB 3.48Å; R461-S465 PolarHBondContact O-N 2.85Å; R461-S465 PolarHBondContact O-OG 3.42Å; A462-S465 PolarHBondContact O-N 2.89Å; A462-S465 PolarHBondContact O-OG 3.3Å; F463-S465 VanDerWaalsContact C-N 3.27Å; F463-S465 PolarHBondContact O-N 3.14Å; S465-Q468 PolarHBondContact O-N 3.39Å; S465-F469 WeakPolarHBondContact O-CB 3.4Å; S465-F469 PolarHBondContact O-N 2.88Å
466Y96.7Very high94.2Very high1 Ų145.3 Ų45.30%0.00421%0.209CC..Hα-helixtrans-64.4-50176.5179.9-89.3000110.9A298 D370 A462 F463 Q468 F469 Y470 L484 L489 F493A298-Y466 HydrophobicContact CB-CD2 4Å; A298-Y466 HydrophobicContact CB-CE2 4.13Å; D370-Y466 HydrophobicContact CB-CE2 4.13Å; D370-Y466 VanDerWaalsContact CG-CE2 3.49Å; D370-Y466 VanDerWaalsContact OD1-CE2 3.28Å; D370-Y466 WeakPolarHBondContact OD1-CE2 3.35Å; A462-Y466 WeakPolarHBondContact O-CB 3.48Å; A462-Y466 PolarHBondContact O-N 3.34Å; F463-Y466 WeakPolarHBondContact O-CB 3.37Å; F463-Y466 PolarHBondContact O-N 3.23Å; F463-Y466 VanDerWaalsContact O-N 3.13Å; Y466-Q468 VanDerWaalsContact C-N 3.27Å; Y466-Q468 PolarHBondContact O-N 3.31Å; Y466-F469 WeakPolarHBondContact O-CA 3.44Å; Y466-F469 VanDerWaalsContact O-CB 3.3Å; Y466-F469 WeakPolarHBondContact O-CB 3.31Å; Y466-F469 PolarHBondContact O-N 3.05Å; Y466-Y470 HydrophobicContact CE1-CD2 4.35Å; Y466-Y470 PolarHBondContact O-N 2.9Å; Y466-L484 HydrophobicContact CE1-CD2 4.43Å; Y466-L489 HydrophobicContact CD1-CD1 4.07Å; Y466-L489 HydrophobicContact CD1-CD2 3.54Å; Y466-L489 HydrophobicContact CD1-CG 4.42Å; Y466-L489 HydrophobicContact CE1-CD1 3.83Å; Y466-L489 HydrophobicContact CE1-CD2 3.74Å; Y466-L489 HydrophobicContact CE1-CG 4.47Å; Y466-F493 HydrophobicContact CD2-CZ 4.45Å; Y466-F493 HydrophobicContact CG-CZ 4.2Å
467V95.9Very high93.9Very high1 Ų152.4 Ų52.41%0.00625%0.246CC..Hα-helixtrans-59.6-40.9177171.90000111.2F463 F469 Y470 R471 Y486 L489 M501 E503F463-V467 HydrophobicContact CD1-CG2 4.32Å; F463-V467 HydrophobicContact CE1-CG2 3.94Å; F463-V467 HydrophobicContact CZ-CG2 4.08Å; F463-V467 WeakPolarHBondContact O-CG2 3.36Å; F463-V467 PolarHBondContact O-N 3.36Å; V467-F469 VanDerWaalsContact C-N 3.32Å; V467-F469 PolarHBondContact O-N 3.35Å; V467-Y470 PolarHBondContact O-N 3.17Å; V467-R471 WeakPolarHBondContact O-CB 3.38Å; V467-R471 PolarHBondContact O-N 3.23Å; V467-Y486 HydrophobicContact CB-CE1 4.37Å; V467-Y486 HydrophobicContact CG1-CE1 3.69Å; V467-Y486 HydrophobicContact CG2-CD1 3.94Å; V467-Y486 HydrophobicContact CG2-CE1 3.74Å; V467-L489 HydrophobicContact CG2-CD2 4.09Å; V467-M501 HydrophobicContact CB-CE 3.8Å; V467-M501 HydrophobicContact CG1-CE 3.48Å; V467-M501 VanDerWaalsContact CG1-CE 3.48Å; V467-M501 HydrophobicContact CG2-CE 4.42Å; V467-E503 HydrophobicContact CG1-CB 3.96Å; V467-E503 HydrophobicContact CG1-CG 3.89Å
468Q94.6Very high93.6Very high50 Ų5052.4 Ų52.423%0.23425%0.248CC..Hα-helixtrans-66.9-32.2176-72-62.2-41.300113.5V464 S465 Y466 R471 K472 E503V464-Q468 HydrophobicContact CG1-CG 4.45Å; V464-Q468 WeakPolarHBondContact O-CB 3.3Å; V464-Q468 WeakPolarHBondContact O-CG 3.37Å; V464-Q468 PolarHBondContact O-N 3.31Å; S465-Q468 PolarHBondContact O-N 3.39Å; Y466-Q468 VanDerWaalsContact C-N 3.27Å; Y466-Q468 PolarHBondContact O-N 3.31Å; Q468-R471 VanDerWaalsContact OE1-CZ 3.29Å; Q468-K472 WeakPolarHBondContact O-CD 3.39Å; Q468-K472 WeakPolarHBondContact O-CG 3.35Å; Q468-E503 PolarHBondContact NE2-OE1 2.7Å
469F94.2Very high93.4Very high26 Ų2649.6 Ų49.611%0.11424%0.235CC..Hα-helixtrans-66.5-53.4171.9159.7-90.3000110.1A298 T299 P371 T373 S465 Y466 V467 R471 K472 H473A298-F469 HydrophobicContact CB-CD1 3.48Å; A298-F469 VanDerWaalsContact CB-CD1 3.48Å; A298-F469 HydrophobicContact CB-CD2 4.19Å; A298-F469 HydrophobicContact CB-CE1 3.46Å; A298-F469 VanDerWaalsContact CB-CE1 3.46Å; A298-F469 HydrophobicContact CB-CE2 4.15Å; A298-F469 HydrophobicContact CB-CG 3.87Å; A298-F469 HydrophobicContact CB-CZ 3.81Å; T299-F469 HydrophobicContact CG2-CB 3.76Å; T299-F469 HydrophobicContact CG2-CG 4.26Å; P371-F469 WeakPolarHBondContact O-CZ 3.26Å; T373-F469 HydrophobicContact CG2-CE2 4.31Å; T373-F469 WeakPolarHBondContact OG1-CE2 3.48Å; S465-F469 WeakPolarHBondContact O-CB 3.4Å; S465-F469 PolarHBondContact O-N 2.88Å; Y466-F469 WeakPolarHBondContact O-CA 3.44Å; Y466-F469 VanDerWaalsContact O-CB 3.3Å; Y466-F469 WeakPolarHBondContact O-CB 3.31Å; Y466-F469 PolarHBondContact O-N 3.05Å; V467-F469 VanDerWaalsContact C-N 3.32Å; V467-F469 PolarHBondContact O-N 3.35Å; F469-R471 VanDerWaalsContact C-N 3.31Å; F469-R471 PolarHBondContact O-N 3.48Å; F469-K472 CarbonylContact O-C 3.58Å; F469-K472 WeakPolarHBondContact O-CA 3.11Å; F469-K472 PolarHBondContact O-N 2.86Å; F469-H473 AromaticContact CE1-CD2 3.99Å; F469-H473 AromaticContact CZ-CD2 3.93Å; F469-H473 PolarHBondContact O-N 2.97Å; F469-H473 VanDerWaalsContact O-N 3.08Å
470Y92.8Very high93.1Very high5 Ų551.7 Ų51.72%0.0225%0.247CC..Hα-helixtrans-61.8-38.8-176.3-159-90.8000111.8E402 Y466 V467 K472 H473 L479 L484E402-Y470 WeakPolarHBondContact CG-OH 3.14Å; E402-Y470 VanDerWaalsContact OE1-CE2 3.27Å; E402-Y470 WeakPolarHBondContact OE1-CE2 3.48Å; E402-Y470 PolarHBondContact OE1-OH 3Å; Y466-Y470 HydrophobicContact CE1-CD2 4.35Å; Y466-Y470 PolarHBondContact O-N 2.9Å; V467-Y470 PolarHBondContact O-N 3.17Å; Y470-K472 PolarHBondContact O-N 3.42Å; Y470-H473 WeakPolarHBondContact O-CB 3.42Å; Y470-H473 PolarHBondContact O-N 3.47Å; Y470-L479 VanDerWaalsContact CE1-C 3.47Å; Y470-L479 HydrophobicContact CE1-CB 4.23Å; Y470-L479 VanDerWaalsContact CE1-O 3.23Å; Y470-L479 WeakPolarHBondContact CE1-O 3.49Å; Y470-L479 HydrophobicContact CE2-CB 4.08Å; Y470-L479 VanDerWaalsContact OH-CA 3.3Å; Y470-L479 WeakPolarHBondContact OH-CA 3.48Å; Y470-L479 WeakPolarHBondContact OH-CB 3.49Å; Y470-L484 HydrophobicContact CD1-CD2 4.38Å
471R91.9Very high92.8Very high93 Ų9352.3 Ų52.335%0.35125%0.246SC..THydrogen-bonded Turntrans-60.6-29.5172.6-172.1179.373.3160.96.1113.9V467 Q468 F469 Y481 E503V467-R471 WeakPolarHBondContact O-CB 3.38Å; V467-R471 PolarHBondContact O-N 3.23Å; Q468-R471 VanDerWaalsContact OE1-CZ 3.29Å; F469-R471 VanDerWaalsContact C-N 3.31Å; F469-R471 PolarHBondContact O-N 3.48Å; R471-Y481 HydrophobicContact CB-CD1 4.3Å; R471-Y481 HydrophobicContact CB-CD2 4.33Å; R471-Y481 HydrophobicContact CB-CG 4.02Å; R471-Y481 HydrophobicContact CG-CD1 3.89Å; R471-Y481 HydrophobicContact CG-CD2 4.1Å; R471-Y481 HydrophobicContact CG-CE1 4Å; R471-Y481 HydrophobicContact CG-CE2 4.23Å; R471-Y481 HydrophobicContact CG-CG 3.96Å; R471-E503 IonicContact CZ-OE1 2.93Å; R471-E503 VanDerWaalsContact CZ-OE1 3.27Å; R471-E503 IonicContact NE-OE1 3.39Å; R471-E503 IonicContact NH1-OE1 3.97Å; R471-E503 PolarHBondContact NH1-OE1 3.04Å
472K90.2Very high92.5Very high146 Ų14651.2 Ų51.264%0.63525%0.246SC*.THydrogen-bonded Turntrans-101.48.3-178.1-66.3176.9-175.2174.80112.6Q468 F469 Y470Q468-K472 WeakPolarHBondContact O-CD 3.39Å; Q468-K472 WeakPolarHBondContact O-CG 3.35Å; F469-K472 CarbonylContact O-C 3.58Å; F469-K472 WeakPolarHBondContact O-CA 3.11Å; F469-K472 PolarHBondContact O-N 2.86Å; Y470-K472 PolarHBondContact O-N 3.42Å
473H91.2Very high92.1Very high2 Ų257.7 Ų57.71%0.00927%0.274CS..  trans-60.1141.8179.5-160.6-65.6000110.3P372 T373 F469 Y470 C475 N476 L479P372-H473 PolarHBondContact O-CE1 3.27Å; P372-H473 PolarHBondContact O-NE2 3.12Å; T373-H473 PolarHBondContact O-CE1 3.32Å; F469-H473 AromaticContact CE1-CD2 3.99Å; F469-H473 AromaticContact CZ-CD2 3.93Å; F469-H473 PolarHBondContact O-N 2.97Å; F469-H473 VanDerWaalsContact O-N 3.08Å; Y470-H473 WeakPolarHBondContact O-CB 3.42Å; Y470-H473 PolarHBondContact O-N 3.47Å; H473-C475 PolarHBondContact ND1-N 2.83Å; H473-N476 WeakPolarHBondContact O-CB 3.14Å; H473-N476 PolarHBondContact O-N 2.98Å; H473-L479 WeakPolarHBondContact CE1-CD1 3.31Å; H473-L479 VanDerWaalsContact NE2-CD1 3.34Å; H473-L479 WeakPolarHBondContact NE2-CD1 3.43Å
474E87.1Confident91.8Very high127 Ų12757.9 Ų57.959%0.59328%0.275SS*.THydrogen-bonded Turntrans-67-44.6-179.3-67.9-174.1-179.300111T373 N374 N476T373-E474 PolarHBondContact O-N 3.26Å; N374-E474 HydrophobicContact CB-CG 4.38Å; N374-E474 WeakPolarHBondContact CB-OE2 3.43Å; E474-N476 PolarHBondContact O-N 3.37Å
475C88.2Confident91.6Very high15 Ų1556.6 Ų56.610%0.10127%0.266CS..THydrogen-bonded Turntrans-76.339.9172.1-51.80000114.4Y405 F408 H473 L477 L478 L479Y405-C475 HydrophobicContact CD2-CB 4.42Å; Y405-C475 HydrophobicContact CE2-CB 4.21Å; F408-C475 VanDerWaalsContact CE1-SG 3.57Å; H473-C475 PolarHBondContact ND1-N 2.83Å; C475-L477 PolarHBondContact O-N 3.02Å; C475-L477 VanDerWaalsContact O-N 3.11Å; C475-L478 PolarHBondContact O-N 3.19Å; C475-L478 VanDerWaalsContact O-N 3.09Å; C475-L479 HydrophobicContact CB-CD1 4.34Å; C475-L479 WeakPolarHBondContact O-CB 3.46Å; C475-L479 PolarHBondContact O-N 3.36Å
476N88.2Confident91.6Very high75 Ų7555.2 Ų55.240%0.40126%0.257SS..THydrogen-bonded Turntrans-62.3-17.4-175.661.520.1000115.4H473 E474 L479 N480H473-N476 WeakPolarHBondContact O-CB 3.14Å; H473-N476 PolarHBondContact O-N 2.98Å; E474-N476 PolarHBondContact O-N 3.37Å; N476-L479 CarbonylContact O-C 3.56Å; N476-N480 VanDerWaalsContact O-CA 3.24Å; N476-N480 WeakPolarHBondContact O-CA 3.2Å; N476-N480 PolarHBondContact O-N 2.85Å
477L88.2Confident91.6Very high156 Ų15655.1 Ų55.182%0.81726%0.256SS*.THydrogen-bonded Turntrans-70.8-39.5174.5-64.2178000111.4C475C475-L477 PolarHBondContact O-N 3.02Å; C475-L477 VanDerWaalsContact O-N 3.11Å
478L89.4Confident91.5Very high61 Ų6159.3 Ų59.332%0.31927%0.272SS..THydrogen-bonded Turntrans-84.9-47.1176.6-58176.3000110.3A404 F408 C475 N480A404-L478 HydrophobicContact CB-CD2 4.23Å; F408-L478 HydrophobicContact CB-CD1 3.41Å; F408-L478 VanDerWaalsContact CB-CD1 3.41Å; F408-L478 HydrophobicContact CD1-CD1 4.36Å; F408-L478 HydrophobicContact CD2-CD1 3.57Å; F408-L478 HydrophobicContact CE2-CD1 4.45Å; F408-L478 HydrophobicContact CG-CD1 3.52Å; C475-L478 PolarHBondContact O-N 3.19Å; C475-L478 VanDerWaalsContact O-N 3.09Å; L478-N480 PolarHBondContact O-N 2.81Å
479L92Very high91.5Very high0 Ų057.1 Ų57.10%026%0.262CS..SBendtrans-97.667.1-178.7-57.6177.1000109.4P371 E402 Y405 Y470 H473 C475 N476 Y481P371-L479 HydrophobicContact CB-CD1 3.6Å; P371-L479 HydrophobicContact CG-CD1 4.03Å; P371-L479 HydrophobicContact CG-CD2 4.19Å; E402-L479 HydrophobicContact CB-CD2 3.75Å; E402-L479 HydrophobicContact CG-CD2 3.56Å; Y405-L479 HydrophobicContact CD2-CD1 3.99Å; Y405-L479 HydrophobicContact CD2-CG 4.29Å; Y405-L479 HydrophobicContact CE2-CD1 4.13Å; Y405-L479 HydrophobicContact CG-CD1 4.39Å; Y405-L479 HydrophobicContact CG-CD2 4.37Å; Y470-L479 VanDerWaalsContact CE1-C 3.47Å; Y470-L479 HydrophobicContact CE1-CB 4.23Å; Y470-L479 VanDerWaalsContact CE1-O 3.23Å; Y470-L479 WeakPolarHBondContact CE1-O 3.49Å; Y470-L479 HydrophobicContact CE2-CB 4.08Å; Y470-L479 VanDerWaalsContact OH-CA 3.3Å; Y470-L479 WeakPolarHBondContact OH-CA 3.48Å; Y470-L479 WeakPolarHBondContact OH-CB 3.49Å; H473-L479 WeakPolarHBondContact CE1-CD1 3.31Å; H473-L479 VanDerWaalsContact NE2-CD1 3.34Å; H473-L479 WeakPolarHBondContact NE2-CD1 3.43Å; C475-L479 HydrophobicContact CB-CD1 4.34Å; C475-L479 WeakPolarHBondContact O-CB 3.46Å; C475-L479 PolarHBondContact O-N 3.36Å; N476-L479 CarbonylContact O-C 3.56Å; L479-Y481 PolarHBondContact O-N 2.9Å
480N90.2Very high91.7Very high45 Ų4555.9 Ų55.924%0.24126%0.256CS..  trans-81.4110.8-171.7-173.3-15.5000111.9N476 L478 K482 K483 L484N476-N480 VanDerWaalsContact O-CA 3.24Å; N476-N480 WeakPolarHBondContact O-CA 3.2Å; N476-N480 PolarHBondContact O-N 2.85Å; L478-N480 PolarHBondContact O-N 2.81Å; N480-K482 PolarHBondContact O-N 2.81Å; N480-K482 WeakPolarHBondContact OD1-CB 3.28Å; N480-K482 PolarHBondContact OD1-N 3.48Å; N480-K483 HydrophobicContact CB-CB 4.48Å; N480-K483 HydrophobicContact CB-CD 4.33Å; N480-K483 HydrophobicContact CB-CG 4.24Å; N480-K483 PolarHBondContact O-N 2.91Å; N480-L484 PolarHBondContact O-N 3.45Å
481Y90.1Very high91.8Very high62 Ų6256 Ų5624%0.24326%0.258CS..THydrogen-bonded Turntrans-57.7-22.7179.682.9-81.9000114.2R471 L479 K483 L484 Y486 E503R471-Y481 HydrophobicContact CB-CD1 4.3Å; R471-Y481 HydrophobicContact CB-CD2 4.33Å; R471-Y481 HydrophobicContact CB-CG 4.02Å; R471-Y481 HydrophobicContact CG-CD1 3.89Å; R471-Y481 HydrophobicContact CG-CD2 4.1Å; R471-Y481 HydrophobicContact CG-CE1 4Å; R471-Y481 HydrophobicContact CG-CE2 4.23Å; R471-Y481 HydrophobicContact CG-CG 3.96Å; L479-Y481 PolarHBondContact O-N 2.9Å; Y481-K483 VanDerWaalsContact C-N 3.34Å; Y481-L484 WeakPolarHBondContact O-CB 3.47Å; Y481-Y486 WeakPolarHBondContact CD2-OH 3.41Å; Y481-Y486 PolarHBondContact O-OH 3.41Å; Y481-E503 HydrophobicContact CD2-CG 4.44Å; Y481-E503 HydrophobicContact CE2-CG 4.36Å
482K90.6Very high91.8Very high135 Ų13551.7 Ų51.759%0.58724%0.241SC*.THydrogen-bonded Turntrans-74.4-26177-62.1-177.4-179.8178.80112.9N480N480-K482 PolarHBondContact O-N 2.81Å; N480-K482 WeakPolarHBondContact OD1-CB 3.28Å; N480-K482 PolarHBondContact OD1-N 3.48Å
483K90.1Very high92.1Very high136 Ų13645.1 Ų45.159%0.59121%0.213SC*.THydrogen-bonded Turntrans-83.2-25.8179-67.7-173.6174.3-175.20112.3E401 N480 Y481 D485E401-K483 VanDerWaalsContact OE2-C 3.29Å; E401-K483 VanDerWaalsContact OE2-O 3.11Å; N480-K483 HydrophobicContact CB-CB 4.48Å; N480-K483 HydrophobicContact CB-CD 4.33Å; N480-K483 HydrophobicContact CB-CG 4.24Å; N480-K483 PolarHBondContact O-N 2.91Å; Y481-K483 VanDerWaalsContact C-N 3.34Å; K483-D485 PolarHBondContact O-N 2.79Å
484L91.2Very high92.2Very high3 Ų345 Ų452%0.01621%0.213CC..SBendtrans-48.2125.6179.3-170.368.5000113.1Y466 Y470 N480 Y481 Y486 L489Y466-L484 HydrophobicContact CE1-CD2 4.43Å; Y470-L484 HydrophobicContact CD1-CD2 4.38Å; N480-L484 PolarHBondContact O-N 3.45Å; Y481-L484 WeakPolarHBondContact O-CB 3.47Å; L484-Y486 HydrophobicContact CB-CE2 4.4Å; L484-Y486 HydrophobicContact CD2-CD1 4.22Å; L484-Y486 HydrophobicContact CD2-CE1 3.95Å; L484-Y486 WeakPolarHBondContact O-CD2 3.25Å; L484-Y486 WeakPolarHBondContact O-CE2 3.22Å; L484-Y486 PolarHBondContact O-N 2.76Å; L484-L489 HydrophobicContact CD2-CD2 3.94Å
485D95.1Very high92.7Very high19 Ų1939 Ų3910%0.10218%0.184CC..BIsolated β-bridgetrans-73.194.9167.5-172.3-24.5000110K483 G487 R488 L489 S511K483-D485 PolarHBondContact O-N 2.79Å; D485-G487 PolarHBondContact O-N 2.99Å; D485-G487 WeakPolarHBondContact OD1-CA 3.49Å; D485-G487 PolarHBondContact OD1-N 3.03Å; D485-R488 HydrophobicContact CB-CB 4.27Å; D485-R488 HydrophobicContact CB-CG 4.49Å; D485-R488 PolarHBondContact OD1-N 2.78Å; D485-R488 VanDerWaalsContact OD2-CD 3.29Å; D485-R488 WeakPolarHBondContact OD2-CD 3.34Å; D485-R488 VanDerWaalsContact OD2-CG 3.26Å; D485-R488 WeakPolarHBondContact OD2-CG 3.44Å; D485-R488 IonicContact OD2-NE 2.93Å; D485-R488 PolarHBondContact OD2-NE 3.3Å; D485-L489 WeakPolarHBondContact O-CB 3.44Å; D485-L489 PolarHBondContact O-N 2.69Å; D485-S511 PolarHBondContact OD2-OG 2.61Å
486Y96.2Very high93Very high1 Ų138.4 Ų38.40%0.00418%0.18CC..Hα-helixtrans-67.4-24.9177.9-64.2-84.7000112.5F463 V467 Y481 L484 A490 E503 L504 N508F463-Y486 HydrophobicContact CZ-CD1 4.17Å; V467-Y486 HydrophobicContact CB-CE1 4.37Å; V467-Y486 HydrophobicContact CG1-CE1 3.69Å; V467-Y486 HydrophobicContact CG2-CD1 3.94Å; V467-Y486 HydrophobicContact CG2-CE1 3.74Å; Y481-Y486 WeakPolarHBondContact CD2-OH 3.41Å; Y481-Y486 PolarHBondContact O-OH 3.41Å; L484-Y486 HydrophobicContact CB-CE2 4.4Å; L484-Y486 HydrophobicContact CD2-CD1 4.22Å; L484-Y486 HydrophobicContact CD2-CE1 3.95Å; L484-Y486 WeakPolarHBondContact O-CD2 3.25Å; L484-Y486 WeakPolarHBondContact O-CE2 3.22Å; L484-Y486 PolarHBondContact O-N 2.76Å; Y486-A490 WeakPolarHBondContact O-CB 3.38Å; Y486-A490 PolarHBondContact O-N 3.04Å; Y486-E503 HydrophobicContact CE1-CB 4.34Å; Y486-L504 VanDerWaalsContact CB-CD2 3.43Å; Y486-L504 HydrophobicContact CD1-CD2 3.31Å; Y486-L504 HydrophobicContact CD2-CD2 4.13Å; Y486-L504 HydrophobicContact CE1-CD2 4.03Å; Y486-L504 HydrophobicContact CG-CD2 3.35Å; Y486-N508 WeakPolarHBondContact CB-O 3.48Å; Y486-N508 PolarHBondContact N-O 3.08Å
487G95.6Very high93.2Very high0 Ų041.4 Ų41.40%019%0.189CC..Hα-helixtrans-69.5-51.6179.200000111.7D485 A490 N491 N508D485-G487 PolarHBondContact O-N 2.99Å; D485-G487 WeakPolarHBondContact OD1-CA 3.49Å; D485-G487 PolarHBondContact OD1-N 3.03Å; G487-A490 PolarHBondContact O-N 2.93Å; G487-N491 VanDerWaalsContact O-CG 3.31Å; G487-N491 PolarHBondContact O-N 3.13Å; G487-N491 PolarHBondContact O-ND2 3.3Å; G487-N508 PolarHBondContact N-O 3.19Å
488R94.2Very high93.5Very high89 Ų8936 Ų3634%0.33616%0.162SC..Hα-helixtrans-60.6-46.3172.2-73.5-177.9-169-165.2-5.8111.4E273 D275 D485 A490 N491 G492E273-R488 VanDerWaalsContact CD-NH1 3.31Å; E273-R488 IonicContact OE2-CZ 3.7Å; E273-R488 IonicContact OE2-NH1 2.76Å; E273-R488 PolarHBondContact OE2-NH1 3.43Å; D275-R488 HydrophobicContact CB-CB 4.38Å; D275-R488 WeakPolarHBondContact CB-O 3.31Å; D485-R488 HydrophobicContact CB-CB 4.27Å; D485-R488 HydrophobicContact CB-CG 4.49Å; D485-R488 PolarHBondContact OD1-N 2.78Å; D485-R488 VanDerWaalsContact OD2-CD 3.29Å; D485-R488 WeakPolarHBondContact OD2-CD 3.34Å; D485-R488 VanDerWaalsContact OD2-CG 3.26Å; D485-R488 WeakPolarHBondContact OD2-CG 3.44Å; D485-R488 IonicContact OD2-NE 2.93Å; D485-R488 PolarHBondContact OD2-NE 3.3Å; R488-A490 VanDerWaalsContact C-N 3.28Å; R488-A490 PolarHBondContact O-N 3.48Å; R488-N491 WeakPolarHBondContact O-CB 3.28Å; R488-N491 PolarHBondContact O-N 2.85Å; R488-N491 VanDerWaalsContact O-N 3.11Å; R488-G492 PolarHBondContact O-N 3.19Å
489L95.5Very high93.7Very high3 Ų334.1 Ų34.12%0.01615%0.153CC..Hα-helixtrans-56.2-44.3176-176.371000111.7F463 Y466 V467 L484 D485 N491 G492 F493F463-L489 HydrophobicContact CD2-CD2 4.01Å; F463-L489 HydrophobicContact CD2-CG 4.02Å; F463-L489 HydrophobicContact CE2-CB 4.05Å; F463-L489 HydrophobicContact CE2-CD2 3.57Å; F463-L489 HydrophobicContact CE2-CG 3.69Å; F463-L489 HydrophobicContact CZ-CD2 4.28Å; Y466-L489 HydrophobicContact CD1-CD1 4.07Å; Y466-L489 HydrophobicContact CD1-CD2 3.54Å; Y466-L489 HydrophobicContact CD1-CG 4.42Å; Y466-L489 HydrophobicContact CE1-CD1 3.83Å; Y466-L489 HydrophobicContact CE1-CD2 3.74Å; Y466-L489 HydrophobicContact CE1-CG 4.47Å; V467-L489 HydrophobicContact CG2-CD2 4.09Å; L484-L489 HydrophobicContact CD2-CD2 3.94Å; D485-L489 WeakPolarHBondContact O-CB 3.44Å; D485-L489 PolarHBondContact O-N 2.69Å; L489-N491 VanDerWaalsContact C-N 3.34Å; L489-N491 PolarHBondContact O-N 2.95Å; L489-G492 PolarHBondContact O-N 3Å; L489-F493 HydrophobicContact CD1-CD2 3.99Å; L489-F493 HydrophobicContact CD1-CE2 3.53Å; L489-F493 HydrophobicContact CG-CD2 4.21Å; L489-F493 HydrophobicContact CG-CE2 4.09Å; L489-F493 WeakPolarHBondContact O-CD2 3.4Å; L489-F493 PolarHBondContact O-N 3.17Å; L489-F493 VanDerWaalsContact O-N 3.09Å
490A96.7Very high93.6Very high0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-65.6-36.1178.800000112.6F463 Y486 G487 R488 F493 G494 L495 L498 F512F463-A490 HydrophobicContact CD2-CB 4.41Å; F463-A490 HydrophobicContact CE2-CB 3.8Å; F463-A490 HydrophobicContact CZ-CB 4.27Å; Y486-A490 WeakPolarHBondContact O-CB 3.38Å; Y486-A490 PolarHBondContact O-N 3.04Å; G487-A490 PolarHBondContact O-N 2.93Å; R488-A490 VanDerWaalsContact C-N 3.28Å; R488-A490 PolarHBondContact O-N 3.48Å; A490-F493 CarbonylContact O-C 3.54Å; A490-F493 PolarHBondContact O-N 2.84Å; A490-G494 PolarHBondContact O-N 3.32Å; A490-L495 HydrophobicContact CB-CB 4.32Å; A490-L495 HydrophobicContact CB-CD1 3.85Å; A490-L495 HydrophobicContact CB-CG 4.33Å; A490-L495 WeakPolarHBondContact O-CB 3.35Å; A490-L495 PolarHBondContact O-N 2.88Å; A490-L498 HydrophobicContact CB-CD2 3.44Å; A490-L498 VanDerWaalsContact CB-CD2 3.44Å; A490-F512 HydrophobicContact CB-CD2 3.48Å; A490-F512 VanDerWaalsContact CB-CD2 3.48Å; A490-F512 HydrophobicContact CB-CE2 3.69Å; A490-F512 HydrophobicContact CB-CG 4.48Å
491N95Very high93.7Very high9 Ų938.3 Ų38.35%0.04818%0.184CC..Hα-helixtrans-62.9-45172.6-68.8-25.7000111.5D275 R446 G487 R488 L489 F493 G494 S511 F512 N513D275-N491 HydrophobicContact CB-CB 4.1Å; R446-N491 PolarHBondContact NH2-OD1 2.81Å; G487-N491 VanDerWaalsContact O-CG 3.31Å; G487-N491 PolarHBondContact O-N 3.13Å; G487-N491 PolarHBondContact O-ND2 3.3Å; R488-N491 WeakPolarHBondContact O-CB 3.28Å; R488-N491 PolarHBondContact O-N 2.85Å; R488-N491 VanDerWaalsContact O-N 3.11Å; L489-N491 VanDerWaalsContact C-N 3.34Å; L489-N491 PolarHBondContact O-N 2.95Å; N491-F493 VanDerWaalsContact C-N 3.25Å; N491-F493 PolarHBondContact O-N 2.86Å; N491-G494 WeakPolarHBondContact O-CA 3.34Å; N491-G494 PolarHBondContact O-N 3.26Å; N491-S511 PolarHBondContact ND2-O 3.46Å; N491-F512 WeakPolarHBondContact OD1-CD2 3.13Å; N491-N513 PolarHBondContact OD1-N 2.91Å
492G93Very high93.7Very high1 Ų139.6 Ų39.61%0.0120%0.2CC..Hα-helixtrans-62-31.4176.500000114.1R488 L489 G494R488-G492 PolarHBondContact O-N 3.19Å; L489-G492 PolarHBondContact O-N 3Å; G492-G494 PolarHBondContact O-N 3.41Å
493F96.1Very high93.7Very high9 Ų933.5 Ų33.54%0.03917%0.174CC..THydrogen-bonded Turntrans-834.9173-81-115.3000112.9Y305 F306 A462 F463 Y466 L489 A490 N491 L495Y305-F493 HydrophobicContact CD1-CD1 4.25Å; Y305-F493 HydrophobicContact CE1-CD1 4.19Å; Y305-F493 PolarHBondContact OH-O 2.99Å; F306-F493 HydrophobicContact CE2-CD1 4.43Å; F306-F493 AromaticContact CE2-CE1 3.85Å; F306-F493 HydrophobicContact CE2-CE1 3.85Å; F306-F493 HydrophobicContact CE2-CE2 4.19Å; F306-F493 AromaticContact CE2-CZ 3.74Å; F306-F493 HydrophobicContact CE2-CZ 3.74Å; F306-F493 AromaticContact CZ-CD1 3.93Å; F306-F493 HydrophobicContact CZ-CD1 3.93Å; F306-F493 AromaticContact CZ-CD2 3.91Å; F306-F493 HydrophobicContact CZ-CD2 3.91Å; F306-F493 AromaticContact CZ-CE1 3.78Å; F306-F493 HydrophobicContact CZ-CE1 3.78Å; F306-F493 AromaticContact CZ-CE2 3.76Å; F306-F493 HydrophobicContact CZ-CE2 3.76Å; F306-F493 HydrophobicContact CZ-CG 4.02Å; F306-F493 AromaticContact CZ-CZ 3.71Å; F306-F493 HydrophobicContact CZ-CZ 3.71Å; A462-F493 HydrophobicContact CB-CD1 4.05Å; A462-F493 HydrophobicContact CB-CE1 3.74Å; F463-F493 HydrophobicContact CB-CD1 3.87Å; F463-F493 HydrophobicContact CB-CE1 4.28Å; F463-F493 HydrophobicContact CB-CG 4.32Å; F463-F493 HydrophobicContact CD2-CB 4.44Å; F463-F493 HydrophobicContact CD2-CD2 4.46Å; F463-F493 HydrophobicContact CD2-CG 4.25Å; Y466-F493 HydrophobicContact CD2-CZ 4.45Å; Y466-F493 HydrophobicContact CG-CZ 4.2Å; L489-F493 HydrophobicContact CD1-CD2 3.99Å; L489-F493 HydrophobicContact CD1-CE2 3.53Å; L489-F493 HydrophobicContact CG-CD2 4.21Å; L489-F493 HydrophobicContact CG-CE2 4.09Å; L489-F493 WeakPolarHBondContact O-CD2 3.4Å; L489-F493 PolarHBondContact O-N 3.17Å; L489-F493 VanDerWaalsContact O-N 3.09Å; A490-F493 CarbonylContact O-C 3.54Å; A490-F493 PolarHBondContact O-N 2.84Å; N491-F493 VanDerWaalsContact C-N 3.25Å; N491-F493 PolarHBondContact O-N 2.86Å; F493-L495 HydrophobicContact CB-CD2 4.37Å; F493-L495 HydrophobicContact CB-CG 4.07Å; F493-L495 PolarHBondContact O-N 2.93Å; F493-L495 VanDerWaalsContact O-N 3.15Å
494G94.5Very high93.8Very high0 Ų028 Ų280%015%0.15CC..THydrogen-bonded Turntrans57.729.7179.900000113.8A490 N491 G492A490-G494 PolarHBondContact O-N 3.32Å; N491-G494 WeakPolarHBondContact O-CA 3.34Å; N491-G494 PolarHBondContact O-N 3.26Å; G492-G494 PolarHBondContact O-N 3.41Å
495L96Very high93.7Very high0 Ų037.5 Ų37.50%019%0.186CC..  trans-66.4135.4-179.1-64.5-170.6000110.6A459 I460 F463 A490 F493 F512A459-L495 HydrophobicContact CB-CD2 3.66Å; I460-L495 HydrophobicContact CG1-CD2 4.1Å; F463-L495 HydrophobicContact CB-CD1 3.95Å; F463-L495 HydrophobicContact CB-CD2 4.5Å; F463-L495 HydrophobicContact CD1-CD1 4.03Å; F463-L495 HydrophobicContact CD2-CD1 3.77Å; F463-L495 HydrophobicContact CE1-CD1 4.48Å; F463-L495 HydrophobicContact CE2-CD1 4.24Å; F463-L495 HydrophobicContact CG-CD1 3.64Å; A490-L495 HydrophobicContact CB-CB 4.32Å; A490-L495 HydrophobicContact CB-CD1 3.85Å; A490-L495 HydrophobicContact CB-CG 4.33Å; A490-L495 WeakPolarHBondContact O-CB 3.35Å; A490-L495 PolarHBondContact O-N 2.88Å; F493-L495 HydrophobicContact CB-CD2 4.37Å; F493-L495 HydrophobicContact CB-CG 4.07Å; F493-L495 PolarHBondContact O-N 2.93Å; F493-L495 VanDerWaalsContact O-N 3.15Å; L495-F512 HydrophobicContact CB-CE2 4.13Å; L495-F512 HydrophobicContact CB-CZ 4.4Å; L495-F512 WeakPolarHBondContact O-CZ 3.29Å
496L94.6Very high93.3Very high2 Ų242.4 Ų42.41%0.0122%0.217CC..SBendtrans-83.4-30.3174.9-54.9179.6000111.8R446 K450 S515 L522R446-L496 HydrophobicContact CG-CD2 3.51Å; K450-L496 HydrophobicContact CG-CD1 4.05Å; K450-L496 HydrophobicContact CG-CD2 3.62Å; L496-S515 PolarHBondContact O-N 3.39Å; L496-S515 VanDerWaalsContact O-N 3.15Å; L496-L522 HydrophobicContact CD1-CD1 3.87Å; L496-L522 HydrophobicContact CD1-CD2 4.38Å
497K93Very high92.9Very high138 Ų13843 Ų4360%0.622%0.223SC*.SBendtrans-149.3145.8176.2-179.3176.1-177.9170.30109.5I519K497-I519 HydrophobicContact CB-CD1 3.3Å; K497-I519 HydrophobicContact CD-CD1 3.71Å; K497-I519 HydrophobicContact CG-CD1 4.13Å
498L94.1Very high92.7Very high44 Ų4446.3 Ų46.323%0.2324%0.241CC..  trans-67.1135.2175.3-67.2174.5000111.4A490 L504 V509 F512A490-L498 HydrophobicContact CB-CD2 3.44Å; A490-L498 VanDerWaalsContact CB-CD2 3.44Å; L498-L504 HydrophobicContact CB-CD1 3.96Å; L498-L504 HydrophobicContact CD2-CD1 4.25Å; L498-L504 HydrophobicContact CG-CD1 4.5Å; L498-V509 HydrophobicContact CD1-CB 3.92Å; L498-V509 HydrophobicContact CD1-CG1 3.91Å; L498-F512 HydrophobicContact CD1-CB 4.27Å; L498-F512 HydrophobicContact CD1-CD1 3.85Å; L498-F512 HydrophobicContact CD1-CE1 4.46Å; L498-F512 HydrophobicContact CD1-CG 4.07Å; L498-F512 HydrophobicContact CD2-CD1 4.18Å; L498-F512 HydrophobicContact CD2-CD2 3.94Å; L498-F512 HydrophobicContact CD2-CE1 4.37Å; L498-F512 HydrophobicContact CD2-CE2 4.16Å; L498-F512 HydrophobicContact CD2-CG 3.95Å; L498-F512 HydrophobicContact CD2-CZ 4.36Å; L498-F512 HydrophobicContact CG-CD1 3.65Å; L498-F512 HydrophobicContact CG-CD2 4.33Å; L498-F512 HydrophobicContact CG-CE1 3.8Å; L498-F512 HydrophobicContact CG-CE2 4.47Å; L498-F512 HydrophobicContact CG-CG 3.92Å; L498-F512 HydrophobicContact CG-CZ 4.22Å
499P93.8Very high92.7Very high20 Ų2044.4 Ų44.413%0.1324%0.239CC..  trans-70151.7175.628.8-33.8000111.6I460 F463 V464 M501 L504I460-P499 HydrophobicContact CG2-CB 3.95Å; F463-P499 HydrophobicContact CD1-CG 3.75Å; F463-P499 HydrophobicContact CE1-CG 3.97Å; V464-P499 HydrophobicContact CG2-CB 4.03Å; V464-P499 HydrophobicContact CG2-CG 3.87Å; P499-M501 HydrophobicContact CG-SD 4.06Å; P499-M501 PolarHBondContact O-N 3.13Å; P499-M501 VanDerWaalsContact O-N 3.17Å; P499-L504 HydrophobicContact CG-CD1 4.21Å; P499-L504 VanDerWaalsContact O-CD1 3.3Å; P499-L504 WeakPolarHBondContact O-CD1 3.24Å
500S91Very high92.6Very high119 Ų11949 Ų4983%0.83227%0.272SS*.  trans-76.7106173.3-172.90000110.4
501M92.2Very high92.4Very high14 Ų1450.9 Ų50.97%0.06929%0.285CS..  trans-147.8151.117663.5-169.4-67.500111.8F463 V464 V467 P499 E503 L504F463-M501 HydrophobicContact CD1-SD 4.37Å; F463-M501 HydrophobicContact CE1-SD 4.04Å; V464-M501 HydrophobicContact CG1-CE 4.4Å; V464-M501 HydrophobicContact CG2-SD 3.98Å; V467-M501 HydrophobicContact CB-CE 3.8Å; V467-M501 HydrophobicContact CG1-CE 3.48Å; V467-M501 VanDerWaalsContact CG1-CE 3.48Å; V467-M501 HydrophobicContact CG2-CE 4.42Å; P499-M501 HydrophobicContact CG-SD 4.06Å; P499-M501 PolarHBondContact O-N 3.13Å; P499-M501 VanDerWaalsContact O-N 3.17Å; M501-E503 VanDerWaalsContact C-N 3.28Å; M501-E503 HydrophobicContact CE-CB 4.19Å; M501-E503 HydrophobicContact CE-CG 4.3Å; M501-E503 WeakPolarHBondContact CE-OE2 3.49Å; M501-E503 PolarHBondContact O-N 3.43Å; M501-L504 HydrophobicContact CG-CB 4.28Å; M501-L504 HydrophobicContact CG-CD1 3.87Å; M501-L504 HydrophobicContact CG-CG 3.59Å; M501-L504 PolarHBondContact O-N 3.3Å; M501-L504 HydrophobicContact SD-CD1 4.22Å; M501-L504 HydrophobicContact SD-CG 4.11Å
502P90.1Very high92.4Very high89 Ų8951.6 Ų51.658%0.57829%0.287SS*.THydrogen-bonded Turntrans-58.7-35.8-175.2-25.634.9000114.3L504 R505P502-L504 VanDerWaalsContact C-N 3.28Å; P502-L504 PolarHBondContact O-N 3.49Å; P502-R505 WeakPolarHBondContact O-CB 3.34Å; P502-R505 PolarHBondContact O-N 3.5Å; P502-R505 VanDerWaalsContact O-N 3.16Å
503E90.8Very high92.3Very high7 Ų756.1 Ų56.13%0.03331%0.311CS..Hα-helixtrans-62.9-34-176.2-64.380.9-179.800112.5V467 Q468 R471 Y481 Y486 M501 R505 G507V467-E503 HydrophobicContact CG1-CB 3.96Å; V467-E503 HydrophobicContact CG1-CG 3.89Å; Q468-E503 PolarHBondContact NE2-OE1 2.7Å; R471-E503 IonicContact CZ-OE1 2.93Å; R471-E503 VanDerWaalsContact CZ-OE1 3.27Å; R471-E503 IonicContact NE-OE1 3.39Å; R471-E503 IonicContact NH1-OE1 3.97Å; R471-E503 PolarHBondContact NH1-OE1 3.04Å; Y481-E503 HydrophobicContact CD2-CG 4.44Å; Y481-E503 HydrophobicContact CE2-CG 4.36Å; Y486-E503 HydrophobicContact CE1-CB 4.34Å; M501-E503 VanDerWaalsContact C-N 3.28Å; M501-E503 HydrophobicContact CE-CB 4.19Å; M501-E503 HydrophobicContact CE-CG 4.3Å; M501-E503 WeakPolarHBondContact CE-OE2 3.49Å; M501-E503 PolarHBondContact O-N 3.43Å; E503-R505 VanDerWaalsContact C-N 3.29Å; E503-R505 PolarHBondContact O-N 3.32Å; E503-G507 PolarHBondContact O-N 2.95Å; E503-G507 VanDerWaalsContact O-N 3.09Å
504L91.6Very high91.9Very high20 Ų2060.2 Ų60.211%0.10534%0.339CS..Hα-helixtrans-77.2-12.3179.4-60.4-173.7000113.7F463 Y486 L498 P499 M501 P502 T506 V509F463-L504 HydrophobicContact CE1-CD1 4.19Å; F463-L504 HydrophobicContact CE1-CD2 4.23Å; F463-L504 HydrophobicContact CZ-CD2 4.16Å; Y486-L504 VanDerWaalsContact CB-CD2 3.43Å; Y486-L504 HydrophobicContact CD1-CD2 3.31Å; Y486-L504 HydrophobicContact CD2-CD2 4.13Å; Y486-L504 HydrophobicContact CE1-CD2 4.03Å; Y486-L504 HydrophobicContact CG-CD2 3.35Å; L498-L504 HydrophobicContact CB-CD1 3.96Å; L498-L504 HydrophobicContact CD2-CD1 4.25Å; L498-L504 HydrophobicContact CG-CD1 4.5Å; P499-L504 HydrophobicContact CG-CD1 4.21Å; P499-L504 VanDerWaalsContact O-CD1 3.3Å; P499-L504 WeakPolarHBondContact O-CD1 3.24Å; M501-L504 HydrophobicContact CG-CB 4.28Å; M501-L504 HydrophobicContact CG-CD1 3.87Å; M501-L504 HydrophobicContact CG-CG 3.59Å; M501-L504 PolarHBondContact O-N 3.3Å; M501-L504 HydrophobicContact SD-CD1 4.22Å; M501-L504 HydrophobicContact SD-CG 4.11Å; P502-L504 VanDerWaalsContact C-N 3.28Å; P502-L504 PolarHBondContact O-N 3.49Å; L504-T506 VanDerWaalsContact C-N 3.34Å; L504-V509 HydrophobicContact CB-CG1 4.33Å; L504-V509 HydrophobicContact CD2-CG1 4.12Å
505R89.4Confident91.6Very high203 Ų20361.6 Ų61.677%0.76635%0.348SS*.Hα-helixtrans-73.8-29.6178.5-62.5-178.1-179.9-177-3.1112.3P502 E503P502-R505 WeakPolarHBondContact O-CB 3.34Å; P502-R505 PolarHBondContact O-N 3.5Å; P502-R505 VanDerWaalsContact O-N 3.16Å; E503-R505 VanDerWaalsContact C-N 3.29Å; E503-R505 PolarHBondContact O-N 3.32Å
506T85.5Confident91.1Very high123 Ų12369.5 Ų69.576%0.75539%0.391SS*.Hα-helixtrans-114-11.5-178.257.10000112.8L504L504-T506 VanDerWaalsContact C-N 3.34Å
507G88.1Confident90.6Very high13 Ų1371.9 Ų71.913%0.13441%0.405CS..SBendtrans-85.7159.3-177.200000112.9E503 V509E503-G507 PolarHBondContact O-N 2.95Å; E503-G507 VanDerWaalsContact O-N 3.09Å; G507-V509 PolarHBondContact O-N 2.99Å
508N92.6Very high90.3Very high69 Ų6968.8 Ų68.837%0.36940%0.395SS..BIsolated β-bridgetrans-68.4116.5174.4-178.57.7000110.7Y486 G487 S510Y486-N508 WeakPolarHBondContact CB-O 3.48Å; Y486-N508 PolarHBondContact N-O 3.08Å; G487-N508 PolarHBondContact N-O 3.19Å; N508-S510 PolarHBondContact OD1-N 2.93Å; N508-S510 PolarHBondContact OD1-OG 3.38Å
509V93.5Very high89.8Confident50 Ų5069.2 Ų69.230%0.30340%0.397SS..  trans-121.54.5176.7-64.70000112.6L498 L504 G507 S511 F512L498-V509 HydrophobicContact CD1-CB 3.92Å; L498-V509 HydrophobicContact CD1-CG1 3.91Å; L504-V509 HydrophobicContact CB-CG1 4.33Å; L504-V509 HydrophobicContact CD2-CG1 4.12Å; G507-V509 PolarHBondContact O-N 2.99Å; V509-S511 VanDerWaalsContact C-N 3.26Å; V509-S511 PolarHBondContact O-N 3.29Å; V509-F512 VanDerWaalsContact O-CB 3.29Å; V509-F512 WeakPolarHBondContact O-CB 3.26Å; V509-F512 PolarHBondContact O-N 2.82Å
510S92.7Very high89.2Confident99 Ų9972.3 Ų72.369%0.69242%0.42SS*.THydrogen-bonded Turntrans-64.5-30.7-169.961.40000113N508 F512N508-S510 PolarHBondContact OD1-N 2.93Å; N508-S510 PolarHBondContact OD1-OG 3.38Å; S510-F512 PolarHBondContact O-N 3.23Å
511S92.5Very high89Confident39 Ų3974.4 Ų74.427%0.27341%0.414SS..THydrogen-bonded Turntrans-79.71.2178.1-61.90000113.9D485 N491 V509D485-S511 PolarHBondContact OD2-OG 2.61Å; N491-S511 PolarHBondContact ND2-O 3.46Å; V509-S511 VanDerWaalsContact C-N 3.26Å; V509-S511 PolarHBondContact O-N 3.29Å
512F94.7Very high88.8Confident24 Ų2474.5 Ų74.511%0.10541%0.414CS..  trans-71.8131.1177.5-176.8-119.2000111.1A490 N491 L495 L498 V509 S510 P514A490-F512 HydrophobicContact CB-CD2 3.48Å; A490-F512 VanDerWaalsContact CB-CD2 3.48Å; A490-F512 HydrophobicContact CB-CE2 3.69Å; A490-F512 HydrophobicContact CB-CG 4.48Å; N491-F512 WeakPolarHBondContact OD1-CD2 3.13Å; L495-F512 HydrophobicContact CB-CE2 4.13Å; L495-F512 HydrophobicContact CB-CZ 4.4Å; L495-F512 WeakPolarHBondContact O-CZ 3.29Å; L498-F512 HydrophobicContact CD1-CB 4.27Å; L498-F512 HydrophobicContact CD1-CD1 3.85Å; L498-F512 HydrophobicContact CD1-CE1 4.46Å; L498-F512 HydrophobicContact CD1-CG 4.07Å; L498-F512 HydrophobicContact CD2-CD1 4.18Å; L498-F512 HydrophobicContact CD2-CD2 3.94Å; L498-F512 HydrophobicContact CD2-CE1 4.37Å; L498-F512 HydrophobicContact CD2-CE2 4.16Å; L498-F512 HydrophobicContact CD2-CG 3.95Å; L498-F512 HydrophobicContact CD2-CZ 4.36Å; L498-F512 HydrophobicContact CG-CD1 3.65Å; L498-F512 HydrophobicContact CG-CD2 4.33Å; L498-F512 HydrophobicContact CG-CE1 3.8Å; L498-F512 HydrophobicContact CG-CE2 4.47Å; L498-F512 HydrophobicContact CG-CG 3.92Å; L498-F512 HydrophobicContact CG-CZ 4.22Å; V509-F512 VanDerWaalsContact O-CB 3.29Å; V509-F512 WeakPolarHBondContact O-CB 3.26Å; V509-F512 PolarHBondContact O-N 2.82Å; S510-F512 PolarHBondContact O-N 3.23Å; F512-P514 HydrophobicContact CD1-CB 4.28Å; F512-P514 HydrophobicContact CE1-CB 3.97Å; F512-P514 WeakPolarHBondContact O-CD 3.32Å
513N91.7Very high88.7Confident96 Ų9675.1 Ų75.151%0.51342%0.417SS..  trans-98.996.3176.1-68.2-26.6000109.6R446 N491R446-N513 PolarHBondContact NH2-O 3.33Å; N491-N513 PolarHBondContact OD1-N 2.91Å
514P88.4Confident88.6Confident96 Ų9676.5 Ų76.562%0.62342%0.422SS*.  trans-67.5148.8-176.129.5-36.2000112.1F512F512-P514 HydrophobicContact CD1-CB 4.28Å; F512-P514 HydrophobicContact CE1-CB 3.97Å; F512-P514 WeakPolarHBondContact O-CD 3.32Å
515S87.3Confident88.4Confident28 Ų2885.4 Ų85.420%0.19645%0.454CS..  trans-98.5138.5175-166.40000111.4L496 V517L496-S515 PolarHBondContact O-N 3.39Å; L496-S515 VanDerWaalsContact O-N 3.15Å; S515-V517 PolarHBondContact O-N 2.92Å; S515-V517 VanDerWaalsContact O-N 3.17Å; S515-V517 WeakPolarHBondContact OG-CG2 3.4Å
516N85.2Confident88.2Confident167 Ų16779.9 Ų79.989%0.89344%0.44SS*.  trans-75.45.6174.5-62.8-10.3000113.5
517V85.6Confident88.1Confident52 Ų5282.1 Ų82.132%0.31544%0.439SS..  trans-78127.7-177.1177.60000110.3K450 S515 I519 L522K450-V517 HydrophobicContact CD-CG2 3.94Å; K450-V517 HydrophobicContact CG-CG2 4.11Å; S515-V517 PolarHBondContact O-N 2.92Å; S515-V517 VanDerWaalsContact O-N 3.17Å; S515-V517 WeakPolarHBondContact OG-CG2 3.4Å; V517-I519 PolarHBondContact O-N 3.42Å; V517-I519 VanDerWaalsContact O-N 3.11Å; V517-L522 HydrophobicContact CG1-CD2 3.87Å
518D84.8Confident87.9Confident73 Ų7384 Ų8439%0.3945%0.45SS..  trans-69.8105.8172.3-176-3.3000110.8S520 K521D518-S520 PolarHBondContact O-N 3.44Å; D518-S520 WeakPolarHBondContact OD1-CB 3.18Å; D518-S520 PolarHBondContact OD1-N 3.2Å; D518-S520 PolarHBondContact OD1-OG 3.35Å; D518-S520 PolarHBondContact OD2-OG 2.95Å; D518-K521 HydrophobicContact CB-CB 4.46Å; D518-K521 HydrophobicContact CB-CD 4.14Å; D518-K521 HydrophobicContact CB-CG 4.32Å; D518-K521 PolarHBondContact O-N 3.13Å; D518-K521 VanDerWaalsContact O-N 3.11Å; D518-K521 WeakPolarHBondContact OD2-CD 3.47Å; D518-K521 WeakPolarHBondContact OD2-CE 3.44Å; D518-K521 WeakPolarHBondContact OD2-CG 3.46Å; D518-K521 IonicContact OD2-NZ 2.74Å
519I83.5Confident87.4Confident52 Ų5281.9 Ų81.927%0.26744%0.44SS..G310 helixtrans-61.2-28.7-177.7-64.2169.1000111.9K497 V517 K521 L522K497-I519 HydrophobicContact CB-CD1 3.3Å; K497-I519 HydrophobicContact CD-CD1 3.71Å; K497-I519 HydrophobicContact CG-CD1 4.13Å; V517-I519 PolarHBondContact O-N 3.42Å; V517-I519 VanDerWaalsContact O-N 3.11Å; I519-K521 PolarHBondContact O-N 3.04Å; I519-L522 HydrophobicContact CB-CD1 4.36Å; I519-L522 HydrophobicContact CG1-CD1 4.46Å; I519-L522 HydrophobicContact CG2-CD1 4.13Å; I519-L522 PolarHBondContact O-N 3.37Å
520S82.4Confident86.8Confident86 Ų8681.1 Ų81.160%0.60144%0.436SS*.G310 helixtrans-65.7-30.5179.671.80000112D518D518-S520 PolarHBondContact O-N 3.44Å; D518-S520 WeakPolarHBondContact OD1-CB 3.18Å; D518-S520 PolarHBondContact OD1-N 3.2Å; D518-S520 PolarHBondContact OD1-OG 3.35Å; D518-S520 PolarHBondContact OD2-OG 2.95Å
521K87Confident86.2Confident163 Ų16383.4 Ų83.471%0.70943%0.434SS*.G310 helixtrans-89-2.9-178.7-64.4178.6-176.2172.30114.4D518 I519 T523D518-K521 HydrophobicContact CB-CB 4.46Å; D518-K521 HydrophobicContact CB-CD 4.14Å; D518-K521 HydrophobicContact CB-CG 4.32Å; D518-K521 PolarHBondContact O-N 3.13Å; D518-K521 VanDerWaalsContact O-N 3.11Å; D518-K521 WeakPolarHBondContact OD2-CD 3.47Å; D518-K521 WeakPolarHBondContact OD2-CE 3.44Å; D518-K521 WeakPolarHBondContact OD2-CG 3.46Å; D518-K521 IonicContact OD2-NZ 2.74Å; I519-K521 PolarHBondContact O-N 3.04Å; K521-T523 PolarHBondContact O-N 3.48Å
522L87.1Confident85.7Confident16 Ų1687.7 Ų87.78%0.08445%0.449CS..PPolyproline II helixtrans-61.8132.7176.9-69173.2000110.6K450 K453 H456 L496 V517 I519K450-L522 VanDerWaalsContact O-CD2 3.22Å; K450-L522 WeakPolarHBondContact O-CD2 3.38Å; K453-L522 HydrophobicContact CB-CB 3.94Å; K453-L522 HydrophobicContact CD-CB 4.18Å; K453-L522 WeakPolarHBondContact CD-O 3.32Å; K453-L522 HydrophobicContact CG-CB 4.24Å; H456-L522 HydrophobicContact CB-CD1 4.41Å; L496-L522 HydrophobicContact CD1-CD1 3.87Å; L496-L522 HydrophobicContact CD1-CD2 4.38Å; V517-L522 HydrophobicContact CG1-CD2 3.87Å; I519-L522 HydrophobicContact CB-CD1 4.36Å; I519-L522 HydrophobicContact CG1-CD1 4.46Å; I519-L522 HydrophobicContact CG2-CD1 4.13Å; I519-L522 PolarHBondContact O-N 3.37Å
523T88Confident85Confident102 Ų10291.3 Ų91.363%0.62646%0.462SS*.PPolyproline II helixtrans-100.3153.8179.357.20000111.2K453 K521K453-T523 WeakPolarHBondContact CB-O 3.5Å; K453-T523 PolarHBondContact N-O 3.2Å; K521-T523 PolarHBondContact O-N 3.48Å
524Y89.5Confident84.4Confident36 Ų3691.7 Ų91.714%0.14146%0.461CS..PPolyproline II helixtrans-78.4131.9170.5-66.8-76.6000109.3K453 L454 E457 D526 V529K453-Y524 HydrophobicContact CB-CD1 3.92Å; K453-Y524 HydrophobicContact CB-CE1 3.94Å; K453-Y524 HydrophobicContact CB-CG 4.33Å; K453-Y524 HydrophobicContact CD-CE1 4.26Å; K453-Y524 HydrophobicContact CD-CE2 3.98Å; K453-Y524 HydrophobicContact CG-CD1 4.35Å; K453-Y524 HydrophobicContact CG-CE1 3.86Å; K453-Y524 HydrophobicContact CG-CE2 4.47Å; L454-Y524 HydrophobicContact CB-CD1 3.88Å; L454-Y524 HydrophobicContact CB-CE1 4.09Å; E457-Y524 PolarHBondContact OE1-OH 3.32Å; Y524-D526 PolarHBondContact O-N 2.83Å; Y524-V529 HydrophobicContact CD1-CB 4.46Å; Y524-V529 HydrophobicContact CD1-CG1 3.84Å; Y524-V529 HydrophobicContact CE1-CG1 4.06Å; Y524-V529 HydrophobicContact CG-CG1 4.34Å
525R86.9Confident83.9Confident206 Ų20692.6 Ų92.678%0.77746%0.46SS*.SBendtrans-61.5-36.3175.7179.4176.8175.6152.12.3111.9D452D452-R525 HydrophobicContact CB-CB 3.96Å; D452-R525 PolarHBondContact OD1-N 3.02Å; D452-R525 VanDerWaalsContact OD1-N 3.15Å
526D85.8Confident83.3Confident87 Ų8796.8 Ų96.847%0.46548%0.478SS..SBendtrans-101115.4176.1-173.1-18.5000110.2Y524 S528 V529Y524-D526 PolarHBondContact O-N 2.83Å; D526-S528 PolarHBondContact O-N 3.16Å; D526-S528 VanDerWaalsContact OD1-CB 3.3Å; D526-S528 WeakPolarHBondContact OD1-CB 3.14Å; D526-S528 PolarHBondContact OD1-N 2.99Å; D526-S528 PolarHBondContact OD1-OG 2.66Å; D526-S528 PolarHBondContact OD2-OG 2.99Å; D526-V529 HydrophobicContact CB-CG2 3.97Å; D526-V529 WeakPolarHBondContact O-CB 3.3Å; D526-V529 PolarHBondContact O-N 2.84Å; D526-V529 VanDerWaalsContact O-N 3.14Å
527K83.5Confident82.8Confident171 Ų17194.6 Ų94.674%0.74346%0.462SS*.Hα-helixtrans-61.7-27.5-179.9-66.9-173.9178.7-178.40112.6V529 S530 K531K527-V529 VanDerWaalsContact C-N 3.28Å; K527-V529 PolarHBondContact O-N 3.48Å; K527-S530 PolarHBondContact O-N 3.18Å; K527-K531 PolarHBondContact O-N 2.85Å
528S82.6Confident82.2Confident52 Ų5294.7 Ų94.736%0.36447%0.466SS..Hα-helixtrans-65.2-34177.9710000112D526 K531 Q532D526-S528 PolarHBondContact O-N 3.16Å; D526-S528 VanDerWaalsContact OD1-CB 3.3Å; D526-S528 WeakPolarHBondContact OD1-CB 3.14Å; D526-S528 PolarHBondContact OD1-N 2.99Å; D526-S528 PolarHBondContact OD1-OG 2.66Å; D526-S528 PolarHBondContact OD2-OG 2.99Å; S528-K531 PolarHBondContact O-N 3.45Å; S528-Q532 WeakPolarHBondContact O-CG 3.34Å; S528-Q532 PolarHBondContact O-N 3.36Å
529V83.1Confident81.4Confident25 Ų2593.6 Ų93.615%0.15246%0.463CS..Hα-helixtrans-67.4-41176.71790000110.6L454 Y524 D526 K527 Q532 R533L454-V529 HydrophobicContact CD2-CG1 4.34Å; L454-V529 HydrophobicContact CD2-CG2 4.4Å; Y524-V529 HydrophobicContact CD1-CB 4.46Å; Y524-V529 HydrophobicContact CD1-CG1 3.84Å; Y524-V529 HydrophobicContact CE1-CG1 4.06Å; Y524-V529 HydrophobicContact CG-CG1 4.34Å; D526-V529 HydrophobicContact CB-CG2 3.97Å; D526-V529 WeakPolarHBondContact O-CB 3.3Å; D526-V529 PolarHBondContact O-N 2.84Å; D526-V529 VanDerWaalsContact O-N 3.14Å; K527-V529 VanDerWaalsContact C-N 3.28Å; K527-V529 PolarHBondContact O-N 3.48Å; V529-Q532 PolarHBondContact O-N 3.11Å; V529-R533 HydrophobicContact CG1-CG 4.39Å; V529-R533 VanDerWaalsContact O-CG 3.28Å; V529-R533 WeakPolarHBondContact O-CG 3.12Å; V529-R533 PolarHBondContact O-N 2.84Å
530S80.9Confident80.5Confident33 Ų3395.4 Ų95.423%0.23147%0.474CS..Hα-helixtrans-58.3-51175.1-157.30000110.9K527 Q532 R533 E534K527-S530 PolarHBondContact O-N 3.18Å; S530-Q532 VanDerWaalsContact C-N 3.32Å; S530-Q532 PolarHBondContact O-N 3.38Å; S530-R533 WeakPolarHBondContact O-CB 3.37Å; S530-R533 PolarHBondContact O-N 2.96Å; S530-E534 WeakPolarHBondContact O-CG 3.29Å; S530-E534 PolarHBondContact O-N 3.16Å; S530-E534 PolarHBondContact OG-OE1 3.05Å
531K80.6Confident79.6Confident148 Ų14897 Ų9764%0.64347%0.472SS*.Hα-helixtrans-57.3-42.9178-68.4-177.6178.5-172.10112.5K527 S528 L535K527-K531 PolarHBondContact O-N 2.85Å; S528-K531 PolarHBondContact O-N 3.45Å; K531-L535 VanDerWaalsContact O-CB 3.31Å; K531-L535 WeakPolarHBondContact O-CB 3.26Å; K531-L535 PolarHBondContact O-N 3.09Å
532Q81.4Confident78.2Confident128 Ų12892.8 Ų92.860%0.59846%0.459SS*.Hα-helixtrans-65.8-37.5176.9-74.6179.1-1.900112.7S528 V529 S530 M536S528-Q532 WeakPolarHBondContact O-CG 3.34Å; S528-Q532 PolarHBondContact O-N 3.36Å; V529-Q532 PolarHBondContact O-N 3.11Å; S530-Q532 VanDerWaalsContact C-N 3.32Å; S530-Q532 PolarHBondContact O-N 3.38Å; Q532-M536 WeakPolarHBondContact O-CB 3.42Å; Q532-M536 WeakPolarHBondContact O-CG 3.32Å; Q532-M536 PolarHBondContact O-N 3.42Å
533R80.4Confident76.6Confident100 Ų10098.1 Ų98.138%0.37748%0.484SS..Hα-helixtrans-69.3-43.4177.3-71.5-68.4-158.2-178.98111.6E457 V529 S530 M536 Q537E457-R533 IonicContact OE2-CZ 3Å; E457-R533 IonicContact OE2-NH2 4Å; E457-R533 PolarHBondContact OE2-NH2 2.94Å; V529-R533 HydrophobicContact CG1-CG 4.39Å; V529-R533 VanDerWaalsContact O-CG 3.28Å; V529-R533 WeakPolarHBondContact O-CG 3.12Å; V529-R533 PolarHBondContact O-N 2.84Å; S530-R533 WeakPolarHBondContact O-CB 3.37Å; S530-R533 PolarHBondContact O-N 2.96Å; R533-M536 PolarHBondContact O-N 3.28Å; R533-Q537 WeakPolarHBondContact O-CG 3.4Å; R533-Q537 PolarHBondContact O-N 2.94Å
534E78.4Confident75Confident104 Ų104100 Ų10049%0.48648%0.483SS..Hα-helixtrans-59.9-47.1174-72.3157.1-14700110.6S530 M536 Q537 S538S530-E534 WeakPolarHBondContact O-CG 3.29Å; S530-E534 PolarHBondContact O-N 3.16Å; S530-E534 PolarHBondContact OG-OE1 3.05Å; E534-M536 VanDerWaalsContact C-N 3.31Å; E534-M536 PolarHBondContact O-N 3.43Å; E534-Q537 PolarHBondContact O-N 3.06Å; E534-Q537 VanDerWaalsContact O-N 3.13Å; E534-S538 PolarHBondContact O-N 3.43Å; E534-S538 PolarHBondContact O-OG 3.35Å
535L78.9Confident73.4Confident116 Ų116105.9 Ų105.961%0.60751%0.512SS*.Hα-helixtrans-60.6-39176.1-162.9102.9000112.5K531 S538 S539K531-L535 VanDerWaalsContact O-CB 3.31Å; K531-L535 WeakPolarHBondContact O-CB 3.26Å; K531-L535 PolarHBondContact O-N 3.09Å; L535-S538 WeakPolarHBondContact CA-OG 3.19Å; L535-S538 PolarHBondContact O-OG 3.34Å; L535-S539 VanDerWaalsContact O-CB 3.23Å; L535-S539 WeakPolarHBondContact O-CB 3.33Å; L535-S539 PolarHBondContact O-N 3.3Å; L535-S539 PolarHBondContact O-OG 3.42Å
536M73.6Confident71.9Confident115 Ų115102.9 Ų102.957%0.56751%0.512SS*.Hα-helixtrans-71.8-31.4176.4-74.6-104.3-87.900112.5Q532 R533 E534 N540Q532-M536 WeakPolarHBondContact O-CB 3.42Å; Q532-M536 WeakPolarHBondContact O-CG 3.32Å; Q532-M536 PolarHBondContact O-N 3.42Å; R533-M536 PolarHBondContact O-N 3.28Å; E534-M536 VanDerWaalsContact C-N 3.31Å; E534-M536 PolarHBondContact O-N 3.43Å; M536-N540 WeakPolarHBondContact O-CB 3.43Å; M536-N540 VanDerWaalsContact O-CG 3.3Å; M536-N540 PolarHBondContact O-N 2.76Å; M536-N540 PolarHBondContact O-ND2 2.88Å
537Q75.3Confident70Confident121 Ų121102.4 Ų102.457%0.56551%0.505SS*.Hα-helixtrans-71.4-49.1174.6-77.7175.6-24.200110.5R533 E534 S539 N540 E541R533-Q537 WeakPolarHBondContact O-CG 3.4Å; R533-Q537 PolarHBondContact O-N 2.94Å; E534-Q537 PolarHBondContact O-N 3.06Å; E534-Q537 VanDerWaalsContact O-N 3.13Å; Q537-S539 VanDerWaalsContact C-N 3.31Å; Q537-S539 PolarHBondContact O-N 3.37Å; Q537-N540 CarbonylContact O-C 3.56Å; Q537-N540 PolarHBondContact O-N 3.38Å; Q537-E541 WeakPolarHBondContact O-CG 3.44Å; Q537-E541 PolarHBondContact O-N 2.89Å
538S72Confident68.7Low55 Ų5597.3 Ų97.339%0.38549%0.49SS..Hα-helixtrans-61.4-39.4175.864.40000111.9E534 L535 N540 E541 T542E534-S538 PolarHBondContact O-N 3.43Å; E534-S538 PolarHBondContact O-OG 3.35Å; L535-S538 WeakPolarHBondContact CA-OG 3.19Å; L535-S538 PolarHBondContact O-OG 3.34Å; S538-N540 VanDerWaalsContact C-N 3.35Å; S538-N540 PolarHBondContact O-N 3.33Å; S538-E541 PolarHBondContact O-N 3.06Å; S538-T542 WeakPolarHBondContact O-CB 3.46Å; S538-T542 VanDerWaalsContact O-CG2 3.32Å; S538-T542 WeakPolarHBondContact O-CG2 3.39Å; S538-T542 PolarHBondContact O-N 3.37Å; S538-T542 PolarHBondContact O-OG1 3.24Å
539S67.9Low67.3Low49 Ų49104 Ų10434%0.34351%0.512SS..Hα-helixtrans-63.1-38.7172.8-59.90000112.3L535 Q537 T542 H543L535-S539 VanDerWaalsContact O-CB 3.23Å; L535-S539 WeakPolarHBondContact O-CB 3.33Å; L535-S539 PolarHBondContact O-N 3.3Å; L535-S539 PolarHBondContact O-OG 3.42Å; Q537-S539 VanDerWaalsContact C-N 3.31Å; Q537-S539 PolarHBondContact O-N 3.37Å; S539-T542 VanDerWaalsContact CA-OG1 3.3Å; S539-T542 WeakPolarHBondContact CA-OG1 3.35Å; S539-T542 PolarHBondContact O-OG1 3Å; S539-H543 VanDerWaalsContact O-CB 3.26Å; S539-H543 WeakPolarHBondContact O-CB 3.44Å; S539-H543 PolarHBondContact O-CD2 3.09Å; S539-H543 PolarHBondContact O-N 3.29Å
540N65.4Low66.1Low91 Ų91110 Ų11049%0.48753%0.532SS..Hα-helixtrans-73.7-31.7176.6-82.6-45.2000113M536 Q537 S538 K544M536-N540 WeakPolarHBondContact O-CB 3.43Å; M536-N540 VanDerWaalsContact O-CG 3.3Å; M536-N540 PolarHBondContact O-N 2.76Å; M536-N540 PolarHBondContact O-ND2 2.88Å; Q537-N540 CarbonylContact O-C 3.56Å; Q537-N540 PolarHBondContact O-N 3.38Å; S538-N540 VanDerWaalsContact C-N 3.35Å; S538-N540 PolarHBondContact O-N 3.33Å; N540-K544 WeakPolarHBondContact O-CB 3.17Å; N540-K544 VanDerWaalsContact O-CG 3.27Å; N540-K544 WeakPolarHBondContact O-CG 3.4Å; N540-K544 PolarHBondContact O-N 3.28Å
541E63.6Low64.7Low120 Ų120111.3 Ų111.356%0.56154%0.536SS*.Hα-helixtrans-72.4-48.6176.4-75.8175.8175.700110.9Q537 S538 H543 K544 E545Q537-E541 WeakPolarHBondContact O-CG 3.44Å; Q537-E541 PolarHBondContact O-N 2.89Å; S538-E541 PolarHBondContact O-N 3.06Å; E541-H543 VanDerWaalsContact C-N 3.31Å; E541-H543 PolarHBondContact O-N 3.46Å; E541-K544 CarbonylContact O-C 3.55Å; E541-K544 WeakPolarHBondContact O-CA 3.23Å; E541-K544 WeakPolarHBondContact O-CB 3.28Å; E541-K544 PolarHBondContact O-N 3.05Å; E541-E545 PolarHBondContact O-N 3.14Å
542T56.7Low63.5Low73 Ų73106.9 Ų106.945%0.44852%0.519SS..Hα-helixtrans-57.6-40.9171.4500000112.2S538 S539 K544 E545 N546S538-T542 WeakPolarHBondContact O-CB 3.46Å; S538-T542 VanDerWaalsContact O-CG2 3.32Å; S538-T542 WeakPolarHBondContact O-CG2 3.39Å; S538-T542 PolarHBondContact O-N 3.37Å; S538-T542 PolarHBondContact O-OG1 3.24Å; S539-T542 VanDerWaalsContact CA-OG1 3.3Å; S539-T542 WeakPolarHBondContact CA-OG1 3.35Å; S539-T542 PolarHBondContact O-OG1 3Å; T542-K544 VanDerWaalsContact C-N 3.3Å; T542-K544 PolarHBondContact O-N 2.9Å; T542-E545 PolarHBondContact O-N 2.88Å; T542-N546 PolarHBondContact O-N 3.23Å; T542-N546 VanDerWaalsContact O-N 3.1Å
543H54.8Low62.2Low128 Ų128108 Ų10859%0.59352%0.522SS*.Hα-helixtrans-66.4-26.6172.4-85.5-53.3000114.1S539 E541 K547S539-H543 VanDerWaalsContact O-CB 3.26Å; S539-H543 WeakPolarHBondContact O-CB 3.44Å; S539-H543 PolarHBondContact O-CD2 3.09Å; S539-H543 PolarHBondContact O-N 3.29Å; E541-H543 VanDerWaalsContact C-N 3.31Å; E541-H543 PolarHBondContact O-N 3.46Å; H543-K547 WeakPolarHBondContact O-CG 3.39Å
544K54.3Low61.1Low141 Ų141108.5 Ų108.561%0.61353%0.527SS*.Hα-helixtrans-81.1-39.5175.4-81.8173.9-175.9172.40111.9N540 E541 T542 K547N540-K544 WeakPolarHBondContact O-CB 3.17Å; N540-K544 VanDerWaalsContact O-CG 3.27Å; N540-K544 WeakPolarHBondContact O-CG 3.4Å; N540-K544 PolarHBondContact O-N 3.28Å; E541-K544 CarbonylContact O-C 3.55Å; E541-K544 WeakPolarHBondContact O-CA 3.23Å; E541-K544 WeakPolarHBondContact O-CB 3.28Å; E541-K544 PolarHBondContact O-N 3.05Å; T542-K544 VanDerWaalsContact C-N 3.3Å; T542-K544 PolarHBondContact O-N 2.9Å; K544-K547 PolarHBondContact O-N 3.4Å
545E55.9Low60.1Low161 Ų161108 Ų10875%0.75252%0.524SS*.Hα-helixtrans-66.1-41.8178.4-75.5-176.716100111.6E541 T542 K547E541-E545 PolarHBondContact O-N 3.14Å; T542-E545 PolarHBondContact O-N 2.88Å; E545-K547 PolarHBondContact O-N 3.05Å
546N55Low59.1Low143 Ų143111.8 Ų111.877%0.76553%0.531SS*.THydrogen-bonded Turntrans-76.4-5.3178.7-77.2-14.8000114.5T542T542-N546 PolarHBondContact O-N 3.23Å; T542-N546 VanDerWaalsContact O-N 3.1Å
547K46.7Very low58.4Low77 Ų77110.3 Ų110.334%0.33553%0.525SS..SBendtrans-102.5119175.2-79.7-168.5-178.7-169.90110.7H543 K544 E545 K549 I552 E555H543-K547 WeakPolarHBondContact O-CG 3.39Å; K544-K547 PolarHBondContact O-N 3.4Å; E545-K547 PolarHBondContact O-N 3.05Å; K547-K549 PolarHBondContact O-N 3.47Å; K547-I552 HydrophobicContact CB-CD1 4.17Å; K547-I552 HydrophobicContact CB-CG1 3.88Å; K547-E555 IonicContact NZ-OE1 2.94Å; K547-E555 PolarHBondContact NZ-OE1 3.43Å; K547-E555 IonicContact NZ-OE2 3.74Å; K547-E555 PolarHBondContact NZ-OE2 3.16Å
548P54.4Low57.9Low64 Ų64111.3 Ų111.342%0.41653%0.528SS..  trans-49.2135.5169.9-27.332.8000111.7W550 L551 I552P548-W550 HydrophobicContact CB-CG 4.34Å; P548-W550 PolarHBondContact O-N 3.11Å; P548-L551 HydrophobicContact CB-CD1 4.31Å; P548-L551 HydrophobicContact CG-CD1 3.95Å; P548-L551 WeakPolarHBondContact O-CB 3.47Å; P548-L551 PolarHBondContact O-N 2.95Å; P548-I552 PolarHBondContact O-N 3.18Å
549K54.4Low57.2Low192 Ų192111.7 Ų111.784%0.83553%0.534SS*.Hα-helixtrans-50-32.2-177.8-72.3178.4179.8172.30113.3K547 K553K547-K549 PolarHBondContact O-N 3.47Å; K549-K553 PolarHBondContact O-N 3.32Å; K549-K553 VanDerWaalsContact O-N 3.11Å
550W57.5Low56.9Low151 Ų151116.7 Ų116.757%0.57255%0.546SS*.Hα-helixtrans-68.7-35.2177.377.9-93.4000113.3P548 K553 K554P548-W550 HydrophobicContact CB-CG 4.34Å; P548-W550 PolarHBondContact O-N 3.11Å; W550-K553 PolarHBondContact O-N 3.38Å; W550-K554 HydrophobicContact CE3-CD 3.97Å; W550-K554 HydrophobicContact CZ3-CD 3.52Å; W550-K554 WeakPolarHBondContact O-CB 3.47Å; W550-K554 PolarHBondContact O-N 2.89Å
551L51.8Low56.9Low61 Ų61116.2 Ų116.232%0.31954%0.542SS..Hα-helixtrans-68.4-41.6176.5-94.3153.8000111.3P548 K553 K554 E555P548-L551 HydrophobicContact CB-CD1 4.31Å; P548-L551 HydrophobicContact CG-CD1 3.95Å; P548-L551 WeakPolarHBondContact O-CB 3.47Å; P548-L551 PolarHBondContact O-N 2.95Å; L551-K553 VanDerWaalsContact C-N 3.32Å; L551-K553 PolarHBondContact O-N 3.45Å; L551-K554 PolarHBondContact O-N 3.29Å; L551-E555 PolarHBondContact O-N 2.73Å
552I55.4Low56.9Low55 Ų55113.2 Ų113.228%0.28254%0.538SS..Hα-helixtrans-60.6-43.5173.5-57.7173.4000110.3K547 P548 E555 R556K547-I552 HydrophobicContact CB-CD1 4.17Å; K547-I552 HydrophobicContact CB-CG1 3.88Å; P548-I552 PolarHBondContact O-N 3.18Å; I552-E555 PolarHBondContact O-N 3.15Å; I552-R556 WeakPolarHBondContact O-CB 3.26Å; I552-R556 PolarHBondContact O-N 2.66Å
553K54.7Low57.3Low150 Ų150117.5 Ų117.565%0.65255%0.551SS**Hα-helixtrans-64.2-39.5175.9-162174.4-175.9178.10111.5K549 W550 L551 N557K549-K553 PolarHBondContact O-N 3.32Å; K549-K553 VanDerWaalsContact O-N 3.11Å; W550-K553 PolarHBondContact O-N 3.38Å; L551-K553 VanDerWaalsContact C-N 3.32Å; L551-K553 PolarHBondContact O-N 3.45Å; K553-N557 WeakPolarHBondContact O-CB 3.41Å; K553-N557 PolarHBondContact O-N 2.89Å
554K57.1Low58Low112 Ų112115.7 Ų115.749%0.48754%0.541SS..Hα-helixtrans-69-39178.1-157.2169.2-175.5176.90112.1W550 L551 N557 K558W550-K554 HydrophobicContact CE3-CD 3.97Å; W550-K554 HydrophobicContact CZ3-CD 3.52Å; W550-K554 WeakPolarHBondContact O-CB 3.47Å; W550-K554 PolarHBondContact O-N 2.89Å; L551-K554 PolarHBondContact O-N 3.29Å; K554-N557 PolarHBondContact O-N 2.9Å; K554-K558 WeakPolarHBondContact O-CB 3.32Å; K554-K558 WeakPolarHBondContact O-CG 3.45Å; K554-K558 PolarHBondContact O-N 3.2Å
555E57.6Low58.7Low92 Ų92116 Ų11643%0.4354%0.542SS..Hα-helixtrans-68.4-43.9173.9-78.9-178.5176.600112.2K547 L551 I552 N557 K558 A559K547-E555 IonicContact NZ-OE1 2.94Å; K547-E555 PolarHBondContact NZ-OE1 3.43Å; K547-E555 IonicContact NZ-OE2 3.74Å; K547-E555 PolarHBondContact NZ-OE2 3.16Å; L551-E555 PolarHBondContact O-N 2.73Å; I552-E555 PolarHBondContact O-N 3.15Å; E555-N557 VanDerWaalsContact C-N 3.32Å; E555-N557 PolarHBondContact O-N 3.24Å; E555-K558 PolarHBondContact O-N 3.39Å; E555-A559 WeakPolarHBondContact O-CB 3.41Å; E555-A559 PolarHBondContact O-N 3.32Å
556R56.4Low59.1Low196 Ų196117.4 Ų117.474%0.7454%0.541SS*.Hα-helixtrans-58.9-43.9172.2-89.1179.8146.8178.7-6.3111.6I552 A559 W560I552-R556 WeakPolarHBondContact O-CB 3.26Å; I552-R556 PolarHBondContact O-N 2.66Å; R556-A559 PolarHBondContact O-N 2.87Å; R556-W560 VanDerWaalsContact O-CB 3.31Å; R556-W560 WeakPolarHBondContact O-CB 3.42Å; R556-W560 PolarHBondContact O-N 3.09Å
557N60.3Low59.7Low85 Ų85113.4 Ų113.446%0.45553%0.527SS..Hα-helixtrans-63.8-42.8174-86.7-6.2000111.8K553 K554 E555 W560 I561K553-N557 WeakPolarHBondContact O-CB 3.41Å; K553-N557 PolarHBondContact O-N 2.89Å; K554-N557 PolarHBondContact O-N 2.9Å; E555-N557 VanDerWaalsContact C-N 3.32Å; E555-N557 PolarHBondContact O-N 3.24Å; N557-W560 PolarHBondContact O-N 3.05Å; N557-I561 VanDerWaalsContact O-CB 3.29Å; N557-I561 WeakPolarHBondContact O-CB 3.26Å; N557-I561 WeakPolarHBondContact O-CD1 3.43Å; N557-I561 WeakPolarHBondContact O-CG1 3.33Å; N557-I561 PolarHBondContact O-N 2.93Å
558K63.6Low60.7Low142 Ų142117.6 Ų117.662%0.61754%0.541SS*.Hα-helixtrans-60.3-45.7174.6-82.5-177.6177.4-177.40111.9K554 E555 I561 A562K554-K558 WeakPolarHBondContact O-CB 3.32Å; K554-K558 WeakPolarHBondContact O-CG 3.45Å; K554-K558 PolarHBondContact O-N 3.2Å; E555-K558 PolarHBondContact O-N 3.39Å; K558-I561 PolarHBondContact O-N 2.81Å; K558-A562 VanDerWaalsContact O-CB 3.25Å; K558-A562 WeakPolarHBondContact O-CB 3.27Å; K558-A562 PolarHBondContact O-N 2.87Å
559A57.7Low61.3Low63 Ų63121.6 Ų121.652%0.52155%0.552SS.*Hα-helixtrans-64.9-40.4178.200000111.8E555 R556 A562 K563E555-A559 WeakPolarHBondContact O-CB 3.41Å; E555-A559 PolarHBondContact O-N 3.32Å; R556-A559 PolarHBondContact O-N 2.87Å; A559-A562 PolarHBondContact O-N 2.96Å; A559-K563 WeakPolarHBondContact O-CB 3.3Å; A559-K563 PolarHBondContact O-N 3.37Å
560W60.5Low61.7Low154 Ų154116.8 Ų116.858%0.58353%0.534SS*.Hα-helixtrans-66.9-44175-174.579.7000112.1R556 N557 K563 K564R556-W560 VanDerWaalsContact O-CB 3.31Å; R556-W560 WeakPolarHBondContact O-CB 3.42Å; R556-W560 PolarHBondContact O-N 3.09Å; N557-W560 PolarHBondContact O-N 3.05Å; W560-K563 PolarHBondContact O-N 3.27Å; W560-K564 HydrophobicContact CH2-CD 4.09Å; W560-K564 HydrophobicContact CZ2-CD 4.3Å; W560-K564 HydrophobicContact CZ3-CD 4.29Å; W560-K564 WeakPolarHBondContact O-CB 3.39Å; W560-K564 PolarHBondContact O-N 3.1Å
561I65.8Low62Low81 Ų81117.2 Ų117.242%0.41554%0.54SS..Hα-helixtrans-62.2-42.7174.1-69163.8000110.6N557 K558 K564 K565N557-I561 VanDerWaalsContact O-CB 3.29Å; N557-I561 WeakPolarHBondContact O-CB 3.26Å; N557-I561 WeakPolarHBondContact O-CD1 3.43Å; N557-I561 WeakPolarHBondContact O-CG1 3.33Å; N557-I561 PolarHBondContact O-N 2.93Å; K558-I561 PolarHBondContact O-N 2.81Å; I561-K564 PolarHBondContact O-N 2.79Å; I561-K565 HydrophobicContact CG2-CD 4.43Å; I561-K565 HydrophobicContact CG2-CG 4.45Å; I561-K565 WeakPolarHBondContact O-CB 3.23Å; I561-K565 WeakPolarHBondContact O-CG 3.3Å; I561-K565 PolarHBondContact O-N 3.41Å
562A64.1Low62.7Low57 Ų57116.7 Ų116.747%0.47155%0.545SS..Hα-helixtrans-63.9-43.2176.800000111.5K558 A559 K564 K565 R566K558-A562 VanDerWaalsContact O-CB 3.25Å; K558-A562 WeakPolarHBondContact O-CB 3.27Å; K558-A562 PolarHBondContact O-N 2.87Å; A559-A562 PolarHBondContact O-N 2.96Å; A562-K564 PolarHBondContact O-N 3.36Å; A562-K565 PolarHBondContact O-N 3.35Å; A562-R566 WeakPolarHBondContact O-CB 3.37Å; A562-R566 PolarHBondContact O-N 3.48Å
563K66.2Low63Low163 Ų163118.8 Ų118.871%0.70956%0.556SS**Hα-helixtrans-61.9-42.1173.8-167.1177.8-177-1800111.4A559 W560 R566 A567A559-K563 WeakPolarHBondContact O-CB 3.3Å; A559-K563 PolarHBondContact O-N 3.37Å; W560-K563 PolarHBondContact O-N 3.27Å; K563-R566 PolarHBondContact O-N 2.92Å; K563-A567 WeakPolarHBondContact O-CB 3.46Å; K563-A567 PolarHBondContact O-N 2.82Å
564K69.1Low63.3Low90 Ų90118.9 Ų118.939%0.39156%0.556SS.*Hα-helixtrans-67.9-40.4177.2-158.9174.1-175.5174.80111.9W560 I561 A562 A567 R568W560-K564 HydrophobicContact CH2-CD 4.09Å; W560-K564 HydrophobicContact CZ2-CD 4.3Å; W560-K564 HydrophobicContact CZ3-CD 4.29Å; W560-K564 WeakPolarHBondContact O-CB 3.39Å; W560-K564 PolarHBondContact O-N 3.1Å; I561-K564 PolarHBondContact O-N 2.79Å; A562-K564 PolarHBondContact O-N 3.36Å; K564-A567 PolarHBondContact O-N 3.06Å; K564-R568 WeakPolarHBondContact O-CB 3.4Å; K564-R568 WeakPolarHBondContact O-CG 3.43Å; K564-R568 PolarHBondContact O-N 2.92Å
565K68.7Low63.3Low146 Ų146121 Ų12164%0.63557%0.565SS**Hα-helixtrans-63-44.3172.1-82.6-172.1175.1-175.10111.3I561 A562 R568 K569I561-K565 HydrophobicContact CG2-CD 4.43Å; I561-K565 HydrophobicContact CG2-CG 4.45Å; I561-K565 WeakPolarHBondContact O-CB 3.23Å; I561-K565 WeakPolarHBondContact O-CG 3.3Å; I561-K565 PolarHBondContact O-N 3.41Å; A562-K565 PolarHBondContact O-N 3.35Å; K565-R568 PolarHBondContact O-N 3.02Å; K565-K569 WeakPolarHBondContact O-CB 3.32Å; K565-K569 PolarHBondContact O-N 3.05Å
566R64.6Low63.2Low192 Ų192122.8 Ų122.873%0.72557%0.574SS**Hα-helixtrans-63.8-42.8177.3-160.8174.9-174.9175.41.9111.6A562 K563 K569 I570A562-R566 WeakPolarHBondContact O-CB 3.37Å; A562-R566 PolarHBondContact O-N 3.48Å; K563-R566 PolarHBondContact O-N 2.92Å; R566-K569 PolarHBondContact O-N 3.05Å; R566-I570 HydrophobicContact CG-CD1 4.48Å; R566-I570 VanDerWaalsContact O-CG1 3.3Å; R566-I570 WeakPolarHBondContact O-CG1 3.4Å; R566-I570 PolarHBondContact O-N 3.46Å
567A66.1Low63Low58 Ų58119.8 Ų119.848%0.47957%0.568SS.*Hα-helixtrans-63.4-43.5173.700000112.2K563 K564 I570 K571K563-A567 WeakPolarHBondContact O-CB 3.46Å; K563-A567 PolarHBondContact O-N 2.82Å; K564-A567 PolarHBondContact O-N 3.06Å; A567-I570 PolarHBondContact O-N 2.97Å; A567-K571 WeakPolarHBondContact O-CB 3.28Å; A567-K571 PolarHBondContact O-N 3.39Å
568R68.9Low62.3Low166 Ų166122.3 Ų122.363%0.62658%0.575SS**Hα-helixtrans-62.1-41.1173.9-78.3177.9176.1172.8-3.4112.1K564 K565 K571 A572K564-R568 WeakPolarHBondContact O-CB 3.4Å; K564-R568 WeakPolarHBondContact O-CG 3.43Å; K564-R568 PolarHBondContact O-N 2.92Å; K565-R568 PolarHBondContact O-N 3.02Å; R568-K571 CarbonylContact O-C 3.53Å; R568-K571 PolarHBondContact O-N 3.32Å; R568-A572 VanDerWaalsContact O-CB 3.3Å; R568-A572 WeakPolarHBondContact O-CB 3.5Å; R568-A572 PolarHBondContact O-N 2.93Å
569K67Low61.8Low148 Ų148120 Ų12064%0.64357%0.572SS**Hα-helixtrans-64.1-43.1177-164174.4-176177.60111.3K565 R566 K571 A572 L573K565-K569 WeakPolarHBondContact O-CB 3.32Å; K565-K569 PolarHBondContact O-N 3.05Å; R566-K569 PolarHBondContact O-N 3.05Å; K569-K571 VanDerWaalsContact C-N 3.34Å; K569-K571 PolarHBondContact O-N 2.74Å; K569-A572 PolarHBondContact O-N 3.17Å; K569-L573 HydrophobicContact CG-CD1 4.29Å; K569-L573 WeakPolarHBondContact O-CB 3.31Å; K569-L573 WeakPolarHBondContact O-CD1 3.29Å; K569-L573 WeakPolarHBondContact O-CG 3.37Å; K569-L573 PolarHBondContact O-N 3.28Å
570I61.6Low61.4Low91 Ų91122.2 Ų122.247%0.46758%0.576SS.*Hα-helixtrans-62-42.3173-67.3164.9000110.8R566 A567 L573 K574R566-I570 HydrophobicContact CG-CD1 4.48Å; R566-I570 VanDerWaalsContact O-CG1 3.3Å; R566-I570 WeakPolarHBondContact O-CG1 3.4Å; R566-I570 PolarHBondContact O-N 3.46Å; A567-I570 PolarHBondContact O-N 2.97Å; I570-L573 PolarHBondContact O-N 3.36Å; I570-K574 WeakPolarHBondContact O-CG 3.48Å; I570-K574 PolarHBondContact O-N 3.02Å
571K64.8Low60.8Low160 Ų160120.2 Ų120.270%0.69657%0.573SS**Hα-helixtrans-68.3-36.6178.7-140.2178.5-172.6-175.80112.4A567 R568 K569 K574 K575A567-K571 WeakPolarHBondContact O-CB 3.28Å; A567-K571 PolarHBondContact O-N 3.39Å; R568-K571 CarbonylContact O-C 3.53Å; R568-K571 PolarHBondContact O-N 3.32Å; K569-K571 VanDerWaalsContact C-N 3.34Å; K569-K571 PolarHBondContact O-N 2.74Å; K571-K574 PolarHBondContact O-N 2.69Å; K571-K575 PolarHBondContact O-N 3Å
572A66.9Low60.1Low50 Ų50119 Ų11941%0.41357%0.572SS.*Hα-helixtrans-69.2-42.9175.100000111.6R568 K569 K574 K575 Q576R568-A572 VanDerWaalsContact O-CB 3.3Å; R568-A572 WeakPolarHBondContact O-CB 3.5Å; R568-A572 PolarHBondContact O-N 2.93Å; K569-A572 PolarHBondContact O-N 3.17Å; A572-K574 VanDerWaalsContact C-N 3.33Å; A572-K574 PolarHBondContact O-N 2.89Å; A572-K575 PolarHBondContact O-N 3.13Å; A572-K575 VanDerWaalsContact O-N 3.16Å; A572-Q576 PolarHBondContact O-N 2.92Å
573L62Low59.5Low99 Ų99118.9 Ų118.952%0.51857%0.567SS.*Hα-helixtrans-59.4-43.9172.4-78.8160.8000111.1K569 I570 Q576 H577K569-L573 HydrophobicContact CG-CD1 4.29Å; K569-L573 WeakPolarHBondContact O-CB 3.31Å; K569-L573 WeakPolarHBondContact O-CD1 3.29Å; K569-L573 WeakPolarHBondContact O-CG 3.37Å; K569-L573 PolarHBondContact O-N 3.28Å; I570-L573 PolarHBondContact O-N 3.36Å; L573-Q576 PolarHBondContact O-N 3.06Å; L573-H577 WeakPolarHBondContact O-CB 3.48Å; L573-H577 PolarHBondContact O-N 3.21Å
574K60.2Low58.7Low152 Ų152117 Ų11766%0.66156%0.561SS**Hα-helixtrans-61.9-41173.2-75.9-170.8174.4-159.20112.8I570 K571 A572 H577 F578I570-K574 WeakPolarHBondContact O-CG 3.48Å; I570-K574 PolarHBondContact O-N 3.02Å; K571-K574 PolarHBondContact O-N 2.69Å; A572-K574 VanDerWaalsContact C-N 3.33Å; A572-K574 PolarHBondContact O-N 2.89Å; K574-H577 PolarHBondContact O-N 2.93Å; K574-F578 PolarHBondContact O-N 2.87Å
575K57.5Low57.7Low155 Ų155117.8 Ų117.867%0.67457%0.569SS**Hα-helixtrans-67.4-41.8176.1-93-166.8172-1650112.7K571 A572 H577 F578 V579K571-K575 PolarHBondContact O-N 3Å; A572-K575 PolarHBondContact O-N 3.13Å; A572-K575 VanDerWaalsContact O-N 3.16Å; K575-H577 VanDerWaalsContact C-N 3.3Å; K575-F578 PolarHBondContact O-N 3.26Å; K575-V579 VanDerWaalsContact O-CG2 3.31Å; K575-V579 WeakPolarHBondContact O-CG2 3.46Å; K575-V579 PolarHBondContact O-N 3.06Å
576Q56Low56.8Low131 Ų131117.5 Ų117.561%0.61257%0.57SS**Hα-helixtrans-63.4-39.1175.4-82.1-176.1-24.800111.3A572 L573 F578 V579 N580A572-Q576 PolarHBondContact O-N 2.92Å; L573-Q576 PolarHBondContact O-N 3.06Å; Q576-F578 VanDerWaalsContact C-N 3.34Å; Q576-V579 PolarHBondContact O-N 2.97Å; Q576-N580 WeakPolarHBondContact O-CB 3.45Å; Q576-N580 PolarHBondContact O-N 3.02Å
577H50.4Low55.8Low133 Ų133114.5 Ų114.562%0.61657%0.565SS**Hα-helixtrans-59.5-46.5171.7-126.863.6000111.4L573 K574 K575 V579 N580 E581L573-H577 WeakPolarHBondContact O-CB 3.48Å; L573-H577 PolarHBondContact O-N 3.21Å; K574-H577 PolarHBondContact O-N 2.93Å; K575-H577 VanDerWaalsContact C-N 3.3Å; H577-V579 PolarHBondContact O-N 3.32Å; H577-N580 PolarHBondContact O-N 3.26Å; H577-E581 PolarHBondContact O-N 3.07Å
578F46Very low55Low138 Ų138114.9 Ų114.961%0.60556%0.563SS**Hα-helixtrans-65.6-38.4179.1-146.7-91.4000112.9K574 K575 Q576 E581 S582K574-F578 PolarHBondContact O-N 2.87Å; K575-F578 PolarHBondContact O-N 3.26Å; Q576-F578 VanDerWaalsContact C-N 3.34Å; F578-E581 PolarHBondContact O-N 3.37Å; F578-S582 WeakPolarHBondContact O-CB 3.44Å; F578-S582 PolarHBondContact O-N 3.43Å; F578-S582 PolarHBondContact O-OG 3.07Å; F578-S582 VanDerWaalsContact O-OG 3.12Å
579V52.7Low54.1Low92 Ų92112.2 Ų112.256%0.55856%0.558SS**Hα-helixtrans-69.7-38.8176.6172.80000111.2K575 Q576 H577 E581 S582 S583K575-V579 VanDerWaalsContact O-CG2 3.31Å; K575-V579 WeakPolarHBondContact O-CG2 3.46Å; K575-V579 PolarHBondContact O-N 3.06Å; Q576-V579 PolarHBondContact O-N 2.97Å; H577-V579 PolarHBondContact O-N 3.32Å; V579-E581 VanDerWaalsContact C-N 3.34Å; V579-S582 PolarHBondContact O-N 3.33Å; V579-S583 PolarHBondContact O-N 3.3Å; V579-S583 PolarHBondContact O-OG 3.15Å
580N50Low53.3Low111 Ų111113 Ų11359%0.59456%0.562SS**Hα-helixtrans-67.7-33.9174.8-79.43.1000112.1Q576 H577 S583 H584Q576-N580 WeakPolarHBondContact O-CB 3.45Å; Q576-N580 PolarHBondContact O-N 3.02Å; H577-N580 PolarHBondContact O-N 3.26Å; N580-S583 PolarHBondContact O-OG 3.24Å; N580-H584 WeakPolarHBondContact O-CB 3.3Å; N580-H584 PolarHBondContact O-N 3.44Å; N580-H584 VanDerWaalsContact O-N 3.15Å
581E48.9Very low52.5Low111 Ų111115.9 Ų115.952%0.51957%0.571SS.*Hα-helixtrans-67.5-42.7170.4-80.7179.9155.900111.5H577 F578 V579 H584 L585H577-E581 PolarHBondContact O-N 3.07Å; F578-E581 PolarHBondContact O-N 3.37Å; V579-E581 VanDerWaalsContact C-N 3.34Å; E581-H584 PolarHBondContact O-N 3.45Å; E581-L585 PolarHBondContact O-N 3.19Å
582S50.5Low51.6Low57 Ų57112.5 Ų112.540%0.39956%0.561SS.*Hα-helixtrans-64.4-41.5177.2-68.20000113.5F578 V579 H584 L585 E586F578-S582 WeakPolarHBondContact O-CB 3.44Å; F578-S582 PolarHBondContact O-N 3.43Å; F578-S582 PolarHBondContact O-OG 3.07Å; F578-S582 VanDerWaalsContact O-OG 3.12Å; V579-S582 PolarHBondContact O-N 3.33Å; S582-H584 VanDerWaalsContact C-N 3.29Å; S582-H584 PolarHBondContact O-N 2.97Å; S582-L585 WeakPolarHBondContact O-CB 3.5Å; S582-L585 PolarHBondContact O-N 2.94Å; S582-E586 PolarHBondContact O-N 3.3Å
583S51.8Low50.8Low53 Ų53117.6 Ų117.637%0.37157%0.573SS.*Hα-helixtrans-69-31.2175.961.30000112V579 N580 L585 E586 M587V579-S583 PolarHBondContact O-N 3.3Å; V579-S583 PolarHBondContact O-OG 3.15Å; N580-S583 PolarHBondContact O-OG 3.24Å; S583-L585 VanDerWaalsContact C-N 3.33Å; S583-E586 PolarHBondContact O-N 3.43Å; S583-M587 WeakPolarHBondContact O-CB 3.49Å; S583-M587 PolarHBondContact O-N 3.14Å
584H49.5Very low50Low125 Ų125119.8 Ų119.858%0.57958%0.581SS**Hα-helixtrans-68.1-34.1171.4-152.3-51000111.8N580 E581 S582 C588N580-H584 WeakPolarHBondContact O-CB 3.3Å; N580-H584 PolarHBondContact O-N 3.44Å; N580-H584 VanDerWaalsContact O-N 3.15Å; E581-H584 PolarHBondContact O-N 3.45Å; S582-H584 VanDerWaalsContact C-N 3.29Å; S582-H584 PolarHBondContact O-N 2.97Å; H584-C588 VanDerWaalsContact O-CB 3.28Å; H584-C588 WeakPolarHBondContact O-CB 3.44Å; H584-C588 PolarHBondContact O-N 3.45Å; H584-C588 PolarHBondContact O-SG 3.44Å
585L47.6Very low49.1Very low106 Ų106117.5 Ų117.556%0.55558%0.575SS**Hα-helixtrans-66.7-45.4171.5-103.7116.5000112.2E581 S582 S583 M587 C588 E589E581-L585 PolarHBondContact O-N 3.19Å; S582-L585 WeakPolarHBondContact O-CB 3.5Å; S582-L585 PolarHBondContact O-N 2.94Å; S583-L585 VanDerWaalsContact C-N 3.33Å; L585-M587 VanDerWaalsContact C-N 3.35Å; L585-M587 PolarHBondContact O-N 2.76Å; L585-C588 CarbonylContact O-C 3.6Å; L585-C588 PolarHBondContact O-N 3.02Å; L585-E589 WeakPolarHBondContact O-CB 3.35Å; L585-E589 WeakPolarHBondContact O-CG 3.29Å; L585-E589 PolarHBondContact O-N 3.36Å
586E50.4Low48.5Very low140 Ų140115 Ų11565%0.65457%0.568SS**Hα-helixtrans-64.1-38.2176.8-77.8-176.9169.400112.3S582 S583 E589 K590S582-E586 PolarHBondContact O-N 3.3Å; S583-E586 PolarHBondContact O-N 3.43Å; E586-E589 PolarHBondContact O-N 3.48Å; E586-K590 PolarHBondContact O-N 3.09Å
587M43.2Very low47.9Very low129 Ų129112.3 Ų112.364%0.63557%0.568SS**Hα-helixtrans-65.7-40.8172.1-85.3-174.855.900112.1S583 L585 K590 K591S583-M587 WeakPolarHBondContact O-CB 3.49Å; S583-M587 PolarHBondContact O-N 3.14Å; L585-M587 VanDerWaalsContact C-N 3.35Å; L585-M587 PolarHBondContact O-N 2.76Å; M587-K590 PolarHBondContact O-N 2.96Å; M587-K591 PolarHBondContact O-N 3.06Å
588C48.2Very low47.5Very low65 Ų65112.6 Ų112.644%0.43957%0.573SS.*Hα-helixtrans-65-39.3174-80.70000111.4H584 L585 K591 N592H584-C588 VanDerWaalsContact O-CB 3.28Å; H584-C588 WeakPolarHBondContact O-CB 3.44Å; H584-C588 PolarHBondContact O-N 3.45Å; H584-C588 PolarHBondContact O-SG 3.44Å; L585-C588 CarbonylContact O-C 3.6Å; L585-C588 PolarHBondContact O-N 3.02Å; C588-K591 PolarHBondContact O-N 3.06Å; C588-N592 VanDerWaalsContact O-CB 3.28Å; C588-N592 WeakPolarHBondContact O-CB 3.05Å; C588-N592 PolarHBondContact O-N 2.93Å
589E50.8Low47Very low111 Ų111113.4 Ų113.452%0.51958%0.576SS.*Hα-helixtrans-66.6-39.3176.2-79.8-174.4177.900112.3L585 E586 N592 K593L585-E589 WeakPolarHBondContact O-CB 3.35Å; L585-E589 WeakPolarHBondContact O-CG 3.29Å; L585-E589 PolarHBondContact O-N 3.36Å; E586-E589 PolarHBondContact O-N 3.48Å; E589-N592 PolarHBondContact O-N 3.15Å; E589-K593 WeakPolarHBondContact O-CB 3.48Å; E589-K593 WeakPolarHBondContact O-CG 3.46Å; E589-K593 PolarHBondContact O-N 3.35Å
590K49.7Very low46Very low165 Ų165117.2 Ų117.272%0.71759%0.588SS**Hα-helixtrans-62.8-46.6173.1-107.7-177.7176.4179.50111.5E586 M587 N592 K593 E594E586-K590 PolarHBondContact O-N 3.09Å; M587-K590 PolarHBondContact O-N 2.96Å; K590-N592 VanDerWaalsContact C-N 3.32Å; K590-N592 PolarHBondContact O-N 3.35Å; K590-K593 PolarHBondContact O-N 2.67Å; K590-E594 PolarHBondContact O-N 2.89Å; K590-E594 VanDerWaalsContact O-N 3.1Å
591K45.6Very low45.5Very low150 Ų150118.8 Ų118.865%0.65260%0.596SS**Hα-helixtrans-64.5-35.8174-90.4-173.7171.1-177.40112.4M587 C588 E594 L595M587-K591 PolarHBondContact O-N 3.06Å; C588-K591 PolarHBondContact O-N 3.06Å; K591-E594 PolarHBondContact O-N 3.25Å; K591-L595 WeakPolarHBondContact O-CB 3.31Å; K591-L595 PolarHBondContact O-N 2.98Å
592N45.3Very low45Very low90 Ų90121.2 Ų121.248%0.48161%0.613SS.*Hα-helixtrans-70.3-36.2176.3-117.21.6000111.2C588 E589 K590 E594 L595 I596C588-N592 VanDerWaalsContact O-CB 3.28Å; C588-N592 WeakPolarHBondContact O-CB 3.05Å; C588-N592 PolarHBondContact O-N 2.93Å; E589-N592 PolarHBondContact O-N 3.15Å; K590-N592 VanDerWaalsContact C-N 3.32Å; K590-N592 PolarHBondContact O-N 3.35Å; N592-E594 VanDerWaalsContact C-N 3.34Å; N592-L595 CarbonylContact O-C 3.58Å; N592-L595 PolarHBondContact O-N 3.38Å; N592-I596 HydrophobicContact CB-CD1 4.21Å; N592-I596 WeakPolarHBondContact O-CB 3.23Å; N592-I596 VanDerWaalsContact O-CD1 3.31Å; N592-I596 WeakPolarHBondContact O-CD1 3.28Å; N592-I596 WeakPolarHBondContact O-CG1 3.31Å; N592-I596 PolarHBondContact O-N 2.96Å
593K50.4Low44.7Very low157 Ų157121.5 Ų121.568%0.68362%0.615SS**Hα-helixtrans-64.3-39.2173.5-78.6-178.9178.41780111.9E589 K590 L595 A597E589-K593 WeakPolarHBondContact O-CB 3.48Å; E589-K593 WeakPolarHBondContact O-CG 3.46Å; E589-K593 PolarHBondContact O-N 3.35Å; K590-K593 PolarHBondContact O-N 2.67Å; K593-L595 VanDerWaalsContact C-N 3.34Å; K593-A597 PolarHBondContact O-N 3.43Å
594E46.2Very low44.5Very low144 Ų144124 Ų12467%0.67363%0.627SS**Hα-helixtrans-65.9-35.7171.3-75.7177.3169.500112.2K590 K591 N592K590-E594 PolarHBondContact O-N 2.89Å; K590-E594 VanDerWaalsContact O-N 3.1Å; K591-E594 PolarHBondContact O-N 3.25Å; N592-E594 VanDerWaalsContact C-N 3.34Å
595L39.4Very low44.5Very low104 Ų104126.5 Ų126.555%0.54564%0.637SS.*Hα-helixtrans-77.1-33.5178.3-139.690.6000113.5K591 N592 K593 A597 I598K591-L595 WeakPolarHBondContact O-CB 3.31Å; K591-L595 PolarHBondContact O-N 2.98Å; N592-L595 CarbonylContact O-C 3.58Å; N592-L595 PolarHBondContact O-N 3.38Å; K593-L595 VanDerWaalsContact C-N 3.34Å; L595-A597 VanDerWaalsContact C-N 3.34Å; L595-I598 PolarHBondContact O-N 3.31Å; L595-I598 VanDerWaalsContact O-N 3.17Å
596I45.4Very low44.9Very low104 Ų104126.5 Ų126.553%0.53364%0.637SS.*Hα-helixtrans-72-31.1-179.7-71.2162.2000110.3N592 I598 K599N592-I596 HydrophobicContact CB-CD1 4.21Å; N592-I596 WeakPolarHBondContact O-CB 3.23Å; N592-I596 VanDerWaalsContact O-CD1 3.31Å; N592-I596 WeakPolarHBondContact O-CD1 3.28Å; N592-I596 WeakPolarHBondContact O-CG1 3.31Å; N592-I596 PolarHBondContact O-N 2.96Å; I596-I598 PolarHBondContact O-N 2.8Å; I596-I598 VanDerWaalsContact O-N 3.16Å; I596-K599 PolarHBondContact O-N 3.34Å
597A43.6Very low45.1Very low73 Ų73124.2 Ų124.260%0.60363%0.629SS**THydrogen-bonded Turntrans-61.8-19.617100000113.2K593 L595K593-A597 PolarHBondContact O-N 3.43Å; L595-A597 VanDerWaalsContact C-N 3.34Å
598I43.1Very low46.3Very low140 Ų140123 Ų12372%0.71862%0.624SS**THydrogen-bonded Turntrans-99.9-7-178.1-61.5173.8000112.1L595 I596L595-I598 PolarHBondContact O-N 3.31Å; L595-I598 VanDerWaalsContact O-N 3.17Å; I596-I598 PolarHBondContact O-N 2.8Å; I596-I598 VanDerWaalsContact O-N 3.16Å
599K34.8Very low47.3Very low155 Ų155126.1 Ų126.167%0.67463%0.633SS**  trans-131.848.4-178.7-68.9-171.1176.7-175.60112.9I596 D601I596-K599 PolarHBondContact O-N 3.34Å; K599-D601 PolarHBondContact O-N 3.47Å
600Q32.1Very low47.8Very low172 Ų172126.7 Ų126.780%0.80464%0.638SS**  trans-68.1105.1155.2-71.6178.2-21.500107.6
601D38.5Very low48.8Very low144 Ų144122.5 Ų122.577%0.7762%0.624SS**SBend-179.1-2.6120.3-125.3-7.8000116.5K599K599-D601 PolarHBondContact O-N 3.47Å
602N38.6Very low50.2Low162 Ų162117.5 Ų117.587%0.86661%0.611SS**SBendtrans-132.79.6-172.7-82.1-34.8000117.7
603S44.6Very low51.7Low62 Ų62117.7 Ų117.743%0.43461%0.612SS.*  trans-113.95-174.561.80000116.4K605S603-K605 VanDerWaalsContact C-N 3.33Å; S603-K605 PolarHBondContact O-N 3.34Å
604V46.5Very low52.7Low105 Ų105116.8 Ų116.864%0.63661%0.605SS**Hα-helixtrans-68.6-31.9-175.3-176.60000112.1D608V604-D608 PolarHBondContact O-N 3.16Å
605K50.7Low54.1Low179 Ų179117.9 Ų117.978%0.77860%0.603SS**Hα-helixtrans-71.6-42.9-176.8-70.7-175.5175.9179.70113.6S603 I607 D608 E609S603-K605 VanDerWaalsContact C-N 3.33Å; S603-K605 PolarHBondContact O-N 3.34Å; K605-I607 VanDerWaalsContact C-N 3.31Å; K605-I607 PolarHBondContact O-N 3.21Å; K605-D608 PolarHBondContact O-N 3.31Å; K605-E609 PolarHBondContact O-N 2.86Å
606D56.7Low55.7Low106 Ų106117.7 Ų117.757%0.56760%0.602SS**Hα-helixtrans-69.9-29-176.2-63.5-7.1000112.7L610D606-L610 PolarHBondContact O-N 2.9Å
607I54.5Low56.7Low92 Ų92118 Ų11847%0.47260%0.604SS.*Hα-helixtrans-75.3-38.7179-62.9172.1000110.9K605 E609 L610 L611K605-I607 VanDerWaalsContact C-N 3.31Å; K605-I607 PolarHBondContact O-N 3.21Å; I607-E609 VanDerWaalsContact C-N 3.32Å; I607-L610 PolarHBondContact O-N 3.12Å; I607-L611 HydrophobicContact CG2-CD1 3.99Å; I607-L611 HydrophobicContact CG2-CG 4.45Å; I607-L611 WeakPolarHBondContact O-CB 3.42Å; I607-L611 WeakPolarHBondContact O-CG 3.4Å; I607-L611 PolarHBondContact O-N 2.78Å
608D68Low57.6Low102 Ų102120.1 Ų120.155%0.54560%0.599SS.*Hα-helixtrans-66.3-36.1177.8-83.3-21.3000111.8V604 K605 L611 A612V604-D608 PolarHBondContact O-N 3.16Å; K605-D608 PolarHBondContact O-N 3.31Å; D608-L611 PolarHBondContact O-N 3.19Å; D608-A612 WeakPolarHBondContact O-CB 3.15Å; D608-A612 PolarHBondContact O-N 3.44Å
609E68.1Low59Low131 Ų131119 Ų11961%0.61259%0.589SS**Hα-helixtrans-65.8-47175.6-161.8170.8-155.400111.6K605 I607 L611 A612 D613K605-E609 PolarHBondContact O-N 2.86Å; I607-E609 VanDerWaalsContact C-N 3.32Å; E609-L611 VanDerWaalsContact C-N 3.31Å; E609-L611 PolarHBondContact O-N 2.87Å; E609-A612 WeakPolarHBondContact O-CB 3.17Å; E609-A612 PolarHBondContact O-N 2.9Å; E609-A612 VanDerWaalsContact O-N 3.12Å; E609-D613 PolarHBondContact O-N 3.02Å
610L62.9Low60.3Low123 Ų123115.1 Ų115.164%0.64458%0.582SS**Hα-helixtrans-62.5-36175-78.4168000113.1D606 I607 Y614D606-L610 PolarHBondContact O-N 2.9Å; I607-L610 PolarHBondContact O-N 3.12Å; L610-Y614 WeakPolarHBondContact O-CB 3.43Å; L610-Y614 PolarHBondContact O-N 2.86Å
611L70.6Confident61.7Low77 Ų77116.5 Ų116.540%0.40358%0.581SS.*Hα-helixtrans-70.6-33.4175.5-78171.5000112.1I607 D608 E609 R615I607-L611 HydrophobicContact CG2-CD1 3.99Å; I607-L611 HydrophobicContact CG2-CG 4.45Å; I607-L611 WeakPolarHBondContact O-CB 3.42Å; I607-L611 WeakPolarHBondContact O-CG 3.4Å; I607-L611 PolarHBondContact O-N 2.78Å; D608-L611 PolarHBondContact O-N 3.19Å; E609-L611 VanDerWaalsContact C-N 3.31Å; E609-L611 PolarHBondContact O-N 2.87Å; L611-R615 WeakPolarHBondContact O-CB 3.22Å; L611-R615 VanDerWaalsContact O-CG 3.22Å; L611-R615 WeakPolarHBondContact O-CG 3.37Å; L611-R615 PolarHBondContact O-N 3.5Å
612A74.1Confident63.1Low46 Ų46116.8 Ų116.838%0.3858%0.575SS.*Hα-helixtrans-65-46.7173.400000111.1D608 E609 Y614 R615 L616D608-A612 WeakPolarHBondContact O-CB 3.15Å; D608-A612 PolarHBondContact O-N 3.44Å; E609-A612 WeakPolarHBondContact O-CB 3.17Å; E609-A612 PolarHBondContact O-N 2.9Å; E609-A612 VanDerWaalsContact O-N 3.12Å; A612-Y614 PolarHBondContact O-N 3.34Å; A612-R615 WeakPolarHBondContact O-CB 3.28Å; A612-R615 PolarHBondContact O-N 2.83Å; A612-L616 PolarHBondContact O-N 2.87Å
613D76.6Confident64.2Low94 Ų94112.2 Ų112.250%0.50357%0.567SS.*Hα-helixtrans-61.4-44.1176.7-79.1-7.9000112E609 R615 L616 L617E609-D613 PolarHBondContact O-N 3.02Å; D613-R615 VanDerWaalsContact C-N 3.31Å; D613-R615 PolarHBondContact O-N 3.25Å; D613-L616 WeakPolarHBondContact O-CB 3.16Å; D613-L616 PolarHBondContact O-N 3.35Å; D613-L617 WeakPolarHBondContact O-CB 3.37Å; D613-L617 PolarHBondContact O-N 3.37Å
614Y71Confident64.9Low137 Ų137115.2 Ų115.254%0.53757%0.574SS.*Hα-helixtrans-63.1-36.7177-174-98.8000112.4L610 A612 K618L610-Y614 WeakPolarHBondContact O-CB 3.43Å; L610-Y614 PolarHBondContact O-N 2.86Å; A612-Y614 PolarHBondContact O-N 3.34Å; Y614-K618 HydrophobicContact CE1-CD 4.05Å; Y614-K618 PolarHBondContact O-N 3.4Å; Y614-K618 VanDerWaalsContact O-N 3.08Å
615R77.4Confident65.2Low168 Ų168114.4 Ų114.463%0.63457%0.565SS**Hα-helixtrans-67.1-40.7175.2-75.4169.3-178.1169.43.5111.7L611 A612 D613 K618 K619L611-R615 WeakPolarHBondContact O-CB 3.22Å; L611-R615 VanDerWaalsContact O-CG 3.22Å; L611-R615 WeakPolarHBondContact O-CG 3.37Å; L611-R615 PolarHBondContact O-N 3.5Å; A612-R615 WeakPolarHBondContact O-CB 3.28Å; A612-R615 PolarHBondContact O-N 2.83Å; D613-R615 VanDerWaalsContact C-N 3.31Å; D613-R615 PolarHBondContact O-N 3.25Å; R615-K618 PolarHBondContact O-N 2.7Å; R615-K619 WeakPolarHBondContact O-CG 3.47Å; R615-K619 PolarHBondContact O-N 3.15Å; R615-K619 VanDerWaalsContact O-N 3.08Å
616L73Confident65.1Low100 Ų100114.8 Ų114.852%0.52457%0.567SS.*Hα-helixtrans-61.7-45.7174.7-84.4159.8000111.4A612 D613 K618 K619 S620A612-L616 PolarHBondContact O-N 2.87Å; D613-L616 WeakPolarHBondContact O-CB 3.16Å; D613-L616 PolarHBondContact O-N 3.35Å; L616-K618 VanDerWaalsContact C-N 3.3Å; L616-K618 PolarHBondContact O-N 2.89Å; L616-K619 PolarHBondContact O-N 3.02Å; L616-K619 VanDerWaalsContact O-N 3.11Å; L616-S620 PolarHBondContact O-N 2.63Å
617L65.7Low64.7Low109 Ų109119 Ų11957%0.57158%0.583SS**Hα-helixtrans-62.8-37.2179.4-141143.1000111.8D613 S620 Y621D613-L617 WeakPolarHBondContact O-CB 3.37Å; D613-L617 PolarHBondContact O-N 3.37Å; L617-S620 PolarHBondContact O-N 3.17Å; L617-Y621 HydrophobicContact CD2-CD2 4.08Å; L617-Y621 HydrophobicContact CD2-CE2 4.06Å; L617-Y621 PolarHBondContact O-N 3.02Å; L617-Y621 VanDerWaalsContact O-N 3.15Å
618K62.7Low64.2Low119 Ų119125.6 Ų125.652%0.51762%0.619SS.*Hα-helixtrans-66.7-38.7173.2-113.4-177.7-179.2176.50113.4Y614 R615 L616 K622Y614-K618 HydrophobicContact CE1-CD 4.05Å; Y614-K618 PolarHBondContact O-N 3.4Å; Y614-K618 VanDerWaalsContact O-N 3.08Å; R615-K618 PolarHBondContact O-N 2.7Å; L616-K618 VanDerWaalsContact C-N 3.3Å; L616-K618 PolarHBondContact O-N 2.89Å; K618-K622 PolarHBondContact O-N 2.76Å
619K71.6Confident64Low115 Ų115126.8 Ų126.850%0.562%0.623SS.*Hα-helixtrans-68.3-38176.8-75.2-179.1175.2-177.40111.6R615 L616 K622 G623 E624 I625R615-K619 WeakPolarHBondContact O-CG 3.47Å; R615-K619 PolarHBondContact O-N 3.15Å; R615-K619 VanDerWaalsContact O-N 3.08Å; L616-K619 PolarHBondContact O-N 3.02Å; L616-K619 VanDerWaalsContact O-N 3.11Å; K619-K622 PolarHBondContact O-N 2.87Å; K619-G623 PolarHBondContact O-N 3.24Å; K619-E624 PolarHBondContact O-N 3.12Å; K619-E624 VanDerWaalsContact O-N 3.14Å; K619-I625 HydrophobicContact CB-CD1 4.19Å; K619-I625 HydrophobicContact CB-CG1 3.83Å
620S63.2Low63.8Low75 Ų75126.5 Ų126.552%0.52462%0.623SS.*Hα-helixtrans-59.5-47.2173.5177.70000111.5L616 L617 K622 G623L616-S620 PolarHBondContact O-N 2.63Å; L617-S620 PolarHBondContact O-N 3.17Å; S620-K622 PolarHBondContact O-N 3.22Å; S620-G623 PolarHBondContact O-N 3.11Å
621Y60.2Low63.8Low201 Ų201126.7 Ų126.779%0.78862%0.622SS**Hα-helixtrans-62.4-25.4177.7-103.4-76.8000114.5L617L617-Y621 HydrophobicContact CD2-CD2 4.08Å; L617-Y621 HydrophobicContact CD2-CE2 4.06Å; L617-Y621 PolarHBondContact O-N 3.02Å; L617-Y621 VanDerWaalsContact O-N 3.15Å
622K68Low63.4Low149 Ų149129.6 Ų129.665%0.64864%0.635SS**THydrogen-bonded Turntrans-89.1-3.9176.7-73-173.8174.3-170.80113.6K618 K619 S620 E624K618-K622 PolarHBondContact O-N 2.76Å; K619-K622 PolarHBondContact O-N 2.87Å; S620-K622 PolarHBondContact O-N 3.22Å; K622-E624 HydrophobicContact CB-CG 4.09Å; K622-E624 PolarHBondContact O-N 3.17Å
623G62.6Low62.8Low66 Ų66134.9 Ų134.968%0.6865%0.651SS**THydrogen-bonded Turntrans67.321-174.900000113.6K619 S620K619-G623 PolarHBondContact O-N 3.24Å; S620-G623 PolarHBondContact O-N 3.11Å
624E58.2Low61.9Low125 Ų125137.6 Ų137.658%0.58466%0.661SS**  trans-91.81.3-178.1-73.2177.6178.100113.2K619 K622 K626K619-E624 PolarHBondContact O-N 3.12Å; K619-E624 VanDerWaalsContact O-N 3.14Å; K622-E624 HydrophobicContact CB-CG 4.09Å; K622-E624 PolarHBondContact O-N 3.17Å; E624-K626 PolarHBondContact O-N 3.11Å
625I53.8Low61.2Low88 Ų88137.6 Ų137.645%0.45167%0.67SS.*  trans-88.8102.9172.3-54.6-179.3000107.4K619K619-I625 HydrophobicContact CB-CD1 4.19Å; K619-I625 HydrophobicContact CB-CG1 3.83Å
626K48.9Very low60Low187 Ų187135.3 Ų135.381%0.81367%0.673SS**  trans-79.7123.6162.8-69.9-175.4176.7-176.90107.2E624 N628E624-K626 PolarHBondContact O-N 3.11Å; K626-N628 PolarHBondContact O-N 3.39Å; K626-N628 VanDerWaalsContact O-N 3.14Å
627E47.6Very low58.9Low194 Ų194138.3 Ų138.391%0.90769%0.685SS**  trans-54.1115.8164.7-72.4173.6160.800107.5
628N44.2Very low58.2Low231 Ų231140.9 Ų140.9100%1.23570%0.695SS**  trans-101.60158.6-87.1-3.6000107.7K626K626-N628 PolarHBondContact O-N 3.39Å; K626-N628 VanDerWaalsContact O-N 3.14Å

Retrieved 628 of 628 residues in 428.1 ms (Link to these results)

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