A0A077ZA34_TRITR Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB , UniProt , Accession A0A077ZA34, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 540 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
1M58.4Low80.2Confident129 Ų12972.2 Ų72.264%0.63540%0.396SS*.  01140-155.8164.4-166.300107.3D5 I6 D11M1-D5 HydrophobicContact CG-CB 4.31Å; M1-I6 HydrophobicContact CE-CG1 4.2Å; M1-I6 HydrophobicContact SD-CG1 4.48Å; M1-D11 HydrophobicContact CE-CB 3.74Å; M1-D11 WeakPolarHBondContact CE-O 3.45Å
2K66.6Low81Confident154 Ų15466.6 Ų66.667%0.6737%0.365SS*.  trans-78153.3172.5-68.6179.2178178.40107.9S4 D5K2-S4 WeakPolarHBondContact CB-OG 3.42Å; K2-S4 PolarHBondContact O-N 3.27Å; K2-S4 VanDerWaalsContact O-N 3.16Å; K2-D5 PolarHBondContact N-OD2 2.79Å; K2-D5 WeakPolarHBondContact O-CB 3.42Å; K2-D5 PolarHBondContact O-N 3.37Å
3S72.6Confident81.7Confident50 Ų5067.2 Ų67.235%0.3538%0.375SS..G310 helixtrans-56.7-28.9176.251.80000112.4D5 I6S3-D5 PolarHBondContact O-N 3.15Å; S3-I6 PolarHBondContact O-N 3.38Å
4S74Confident82.4Confident68 Ų6863.7 Ų63.748%0.47636%0.355SS..G310 helixtrans-61.9-26.2175.554.10000114.6K2 I6K2-S4 WeakPolarHBondContact CB-OG 3.42Å; K2-S4 PolarHBondContact O-N 3.27Å; K2-S4 VanDerWaalsContact O-N 3.16Å; S4-I6 VanDerWaalsContact C-N 3.32Å
5D80.7Confident83.1Confident85 Ų8559.9 Ų59.946%0.45533%0.334SS..G310 helixtrans-84.9-13.7-171.9-49.8-24.8000111.7M1 K2 S3 Q7M1-D5 HydrophobicContact CG-CB 4.31Å; K2-D5 PolarHBondContact N-OD2 2.79Å; K2-D5 WeakPolarHBondContact O-CB 3.42Å; K2-D5 PolarHBondContact O-N 3.37Å; S3-D5 PolarHBondContact O-N 3.15Å; D5-Q7 PolarHBondContact O-N 3.31Å
6I85.1Confident83.7Confident1 Ų167 Ų671%0.00536%0.36CS..  trans-82.9113.8-178.6-57.9169.5000108.2M1 S3 S4 D11 I12 P30 R35M1-I6 HydrophobicContact CE-CG1 4.2Å; M1-I6 HydrophobicContact SD-CG1 4.48Å; S3-I6 PolarHBondContact O-N 3.38Å; S4-I6 VanDerWaalsContact C-N 3.32Å; I6-D11 HydrophobicContact CG2-CB 4.22Å; I6-I12 HydrophobicContact CD1-CG1 4.28Å; I6-I12 HydrophobicContact CG2-CD1 4.12Å; I6-I12 HydrophobicContact CG2-CG1 3.81Å; I6-P30 HydrophobicContact CG2-CG 3.85Å; I6-R35 HydrophobicContact CB-CG 4.2Å; I6-R35 HydrophobicContact CG2-CG 4.03Å; I6-R35 WeakPolarHBondContact O-CD 3.45Å
7Q86.7Confident84.3Confident129 Ų12966.8 Ų66.860%0.60336%0.355SS*.  trans-108.8-30.8176.8-65.6-64.3-31.500111.7D5 D11 P30D5-Q7 PolarHBondContact O-N 3.31Å; Q7-D11 PolarHBondContact N-OD2 3.39Å; Q7-P30 WeakPolarHBondContact O-CD 3.37Å
8A89.9Confident84.7Confident28 Ų2863.1 Ų63.123%0.23134%0.335CS..SBendtrans-128.8159.417900000111.3S10 D11A8-S10 WeakPolarHBondContact CB-OG 3.39Å; A8-S10 PolarHBondContact O-N 3.29Å; A8-D11 PolarHBondContact N-OD2 3.11Å; A8-D11 WeakPolarHBondContact O-CB 3.15Å; A8-D11 PolarHBondContact O-N 3.38Å; A8-D11 VanDerWaalsContact O-N 3.09Å
9F90.3Very high85.2Confident7 Ų762.3 Ų62.33%0.03133%0.331CS..G310 helixtrans-61.8-24.5174.2-76.2-75.4000112.9D11 I12 L19 L22 P30 I38 I63F9-D11 PolarHBondContact O-N 3.2Å; F9-I12 HydrophobicContact CD1-CD1 4.24Å; F9-I12 WeakPolarHBondContact O-CB 3.48Å; F9-I12 PolarHBondContact O-N 3.32Å; F9-L19 HydrophobicContact CB-CD2 4.16Å; F9-L22 HydrophobicContact CB-CD1 4.08Å; F9-L22 HydrophobicContact CD1-CD1 3.87Å; F9-L22 HydrophobicContact CD2-CD1 4.5Å; F9-L22 HydrophobicContact CE1-CD1 4.41Å; F9-L22 HydrophobicContact CG-CD1 3.91Å; F9-P30 HydrophobicContact CD1-CB 4.18Å; F9-P30 HydrophobicContact CE1-CB 3.73Å; F9-P30 HydrophobicContact CE2-CB 4.19Å; F9-P30 HydrophobicContact CZ-CB 3.75Å; F9-I38 HydrophobicContact CE1-CD1 4.05Å; F9-I63 HydrophobicContact CD1-CD1 4.12Å; F9-I63 HydrophobicContact CE1-CD1 3.55Å; F9-I63 HydrophobicContact CZ-CD1 4.34Å
10S89.2Confident85.6Confident84 Ų8463.6 Ų63.659%0.58734%0.338SS*.G310 helixtrans-64.5-21.8174.851.60000113.9A8 I12A8-S10 WeakPolarHBondContact CB-OG 3.39Å; A8-S10 PolarHBondContact O-N 3.29Å; S10-I12 PolarHBondContact O-N 3.4Å
11D89.2Confident85.9Confident59 Ų5960.6 Ų60.632%0.31632%0.322SS..G310 helixtrans-76.8-16.6178.6-56.1-26.5000111.4M1 I6 Q7 A8 F9M1-D11 HydrophobicContact CE-CB 3.74Å; M1-D11 WeakPolarHBondContact CE-O 3.45Å; I6-D11 HydrophobicContact CG2-CB 4.22Å; Q7-D11 PolarHBondContact N-OD2 3.39Å; A8-D11 PolarHBondContact N-OD2 3.11Å; A8-D11 WeakPolarHBondContact O-CB 3.15Å; A8-D11 PolarHBondContact O-N 3.38Å; A8-D11 VanDerWaalsContact O-N 3.09Å; F9-D11 PolarHBondContact O-N 3.2Å
12I89.7Confident87.6Confident5 Ų554.5 Ų54.53%0.02629%0.292CS..SBendtrans-88.6138.3176.1-53.2178.2000108I6 F9 S10 L14 I38 L42I6-I12 HydrophobicContact CD1-CG1 4.28Å; I6-I12 HydrophobicContact CG2-CD1 4.12Å; I6-I12 HydrophobicContact CG2-CG1 3.81Å; F9-I12 HydrophobicContact CD1-CD1 4.24Å; F9-I12 WeakPolarHBondContact O-CB 3.48Å; F9-I12 PolarHBondContact O-N 3.32Å; S10-I12 PolarHBondContact O-N 3.4Å; I12-L14 HydrophobicContact CB-CD1 4.25Å; I12-L14 HydrophobicContact CB-CG 3.99Å; I12-L14 HydrophobicContact CG2-CD1 4.27Å; I12-L14 HydrophobicContact CG2-CD2 3.85Å; I12-L14 HydrophobicContact CG2-CG 3.73Å; I12-L14 PolarHBondContact O-N 3.14Å; I12-I38 HydrophobicContact CD1-CB 4.38Å; I12-I38 HydrophobicContact CD1-CD1 4.22Å; I12-I38 HydrophobicContact CD1-CG2 4.16Å; I12-I38 HydrophobicContact CG2-CG2 3.91Å; I12-L42 HydrophobicContact CG2-CD1 3.89Å
13P89.4Confident88.7Confident75 Ų7551.5 Ų51.549%0.48729%0.291SS..  trans-72.867.3-179.531.5-37.8000112.1L39 R71P13-L39 HydrophobicContact CG-CD1 4.23Å; P13-R71 PolarHBondContact O-NH2 3.31Å
14L92.2Very high89.7Confident18 Ų1857.7 Ų57.79%0.09431%0.307CS..  trans-97.1153.8178.9-60.1178.5000110.9I12 T18 L19 L22 L42 I63 E67I12-L14 HydrophobicContact CB-CD1 4.25Å; I12-L14 HydrophobicContact CB-CG 3.99Å; I12-L14 HydrophobicContact CG2-CD1 4.27Å; I12-L14 HydrophobicContact CG2-CD2 3.85Å; I12-L14 HydrophobicContact CG2-CG 3.73Å; I12-L14 PolarHBondContact O-N 3.14Å; L14-T18 HydrophobicContact CD1-CG2 4.39Å; L14-L19 HydrophobicContact CB-CD2 4.13Å; L14-L19 HydrophobicContact CB-CG 4.04Å; L14-L19 HydrophobicContact CD1-CD2 4.11Å; L14-L22 HydrophobicContact CD1-CD1 3.97Å; L14-L42 HydrophobicContact CD2-CD1 3.78Å; L14-I63 HydrophobicContact CD1-CG2 3.91Å; L14-I63 HydrophobicContact CD2-CG2 3.58Å; L14-I63 HydrophobicContact CG-CG2 4.42Å; L14-E67 HydrophobicContact CD2-CG 4.25Å
15S92.8Very high90.3Very high6 Ų656.3 Ų56.34%0.04230%0.297CS..  trans-64.4150.3172.568.50000112.4K17 T18 L19 E67 W70 H106S15-K17 PolarHBondContact O-N 3.04Å; S15-T18 PolarHBondContact O-N 2.73Å; S15-T18 VanDerWaalsContact O-N 3.1Å; S15-T18 WeakPolarHBondContact OG-CB 3.44Å; S15-T18 PolarHBondContact OG-N 2.94Å; S15-T18 PolarHBondContact OG-OG1 3.47Å; S15-L19 PolarHBondContact O-N 3.3Å; S15-E67 WeakPolarHBondContact CB-OE2 3.45Å; S15-E67 PolarHBondContact N-OE1 3.33Å; S15-E67 PolarHBondContact N-OE2 3.28Å; S15-E67 PolarHBondContact OG-OE2 2.88Å; S15-W70 VanDerWaalsContact CB-CE3 3.49Å; S15-W70 VanDerWaalsContact CB-CZ3 3.49Å; S15-H106 PolarHBondContact OG-CE1 2.76Å
16K93Very high90.7Very high174 Ų17455.3 Ų55.376%0.75731%0.306SS*.Hα-helixtrans-55.9-35.6174.2-67.1-175.3-179.7-178.50112L19 N20K16-L19 PolarHBondContact O-N 3.49Å; K16-N20 WeakPolarHBondContact O-CB 3.28Å; K16-N20 PolarHBondContact O-N 2.89Å; K16-N20 PolarHBondContact O-ND2 3.15Å; K16-N20 PolarHBondContact O-OD1 3.06Å
17K92.7Very high90.8Very high63 Ų6359.2 Ų59.227%0.27432%0.321SS..Hα-helixtrans-60.4-49.2176.2-72.3-177.9167.1-161.80111S15 N20 G21 F105 H106 E107S15-K17 PolarHBondContact O-N 3.04Å; K17-N20 PolarHBondContact O-N 3.42Å; K17-G21 PolarHBondContact O-N 3.05Å; K17-G21 VanDerWaalsContact O-N 3.12Å; K17-F105 HydrophobicContact CB-CB 4.05Å; K17-F105 WeakPolarHBondContact CD-O 3.28Å; K17-F105 WeakPolarHBondContact CE-O 3.18Å; K17-F105 HydrophobicContact CG-CB 4.27Å; K17-H106 VanDerWaalsContact CB-CE1 3.45Å; K17-H106 WeakPolarHBondContact CB-CE1 3.34Å; K17-E107 IonicContact NZ-OE1 3.01Å; K17-E107 PolarHBondContact NZ-OE1 3.18Å
18T92.8Very high90.7Very high0 Ų056.4 Ų56.40%032%0.321CS..Hα-helixtrans-64.3-44.5176.8-56.50000111.8L14 S15 N20 G21 L22 I63 I66 E67 V102 H106L14-T18 HydrophobicContact CD1-CG2 4.39Å; S15-T18 PolarHBondContact O-N 2.73Å; S15-T18 VanDerWaalsContact O-N 3.1Å; S15-T18 WeakPolarHBondContact OG-CB 3.44Å; S15-T18 PolarHBondContact OG-N 2.94Å; S15-T18 PolarHBondContact OG-OG1 3.47Å; T18-N20 VanDerWaalsContact C-N 3.34Å; T18-N20 PolarHBondContact O-N 3.32Å; T18-G21 PolarHBondContact O-N 3.21Å; T18-L22 HydrophobicContact CG2-CD1 4.22Å; T18-L22 WeakPolarHBondContact O-CG 3.23Å; T18-L22 PolarHBondContact O-N 3.4Å; T18-I63 HydrophobicContact CG2-CG2 4.39Å; T18-I66 HydrophobicContact CG2-CG2 4.38Å; T18-E67 PolarHBondContact OG1-OE2 3.2Å; T18-V102 HydrophobicContact CG2-CG1 4.12Å; T18-H106 PolarHBondContact N-NE2 3.36Å; T18-H106 PolarHBondContact OG1-CE1 3.17Å; T18-H106 PolarHBondContact OG1-NE2 3.48Å
19L93.5Very high90.7Very high48 Ų4860 Ų6025%0.25134%0.34SS..Hα-helixtrans-60.8-41.8177.8-70.5172.1000112.3F9 L14 S15 K16 G21 L22 S23F9-L19 HydrophobicContact CB-CD2 4.16Å; L14-L19 HydrophobicContact CB-CD2 4.13Å; L14-L19 HydrophobicContact CB-CG 4.04Å; L14-L19 HydrophobicContact CD1-CD2 4.11Å; S15-L19 PolarHBondContact O-N 3.3Å; K16-L19 PolarHBondContact O-N 3.49Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 2.88Å; L19-S23 WeakPolarHBondContact O-CB 3.23Å; L19-S23 PolarHBondContact O-N 3.5Å
20N93.3Very high90.7Very high89 Ų8960 Ų6048%0.47634%0.34SS..Hα-helixtrans-62.8-41175.5-71.1-8.7000111.6K16 K17 T18 S23 R24 F105K16-N20 WeakPolarHBondContact O-CB 3.28Å; K16-N20 PolarHBondContact O-N 2.89Å; K16-N20 PolarHBondContact O-ND2 3.15Å; K16-N20 PolarHBondContact O-OD1 3.06Å; K17-N20 PolarHBondContact O-N 3.42Å; T18-N20 VanDerWaalsContact C-N 3.34Å; T18-N20 PolarHBondContact O-N 3.32Å; N20-S23 PolarHBondContact O-N 3.37Å; N20-R24 VanDerWaalsContact O-CB 3.27Å; N20-R24 WeakPolarHBondContact O-CB 3.32Å; N20-R24 PolarHBondContact O-N 2.92Å; N20-F105 HydrophobicContact CB-CD2 3.71Å; N20-F105 HydrophobicContact CB-CE2 3.67Å; N20-F105 HydrophobicContact CB-CG 4.37Å; N20-F105 HydrophobicContact CB-CZ 4.29Å
21G92.4Very high90.7Very high0 Ų057.9 Ų57.90%032%0.324CS..Hα-helixtrans-63.8-4117600000113K17 T18 L19 S25K17-G21 PolarHBondContact O-N 3.05Å; K17-G21 VanDerWaalsContact O-N 3.12Å; T18-G21 PolarHBondContact O-N 3.21Å; L19-G21 VanDerWaalsContact C-N 3.34Å; L19-G21 PolarHBondContact O-N 3.16Å; G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 2.93Å; G21-S25 VanDerWaalsContact O-N 3.15Å; G21-S25 PolarHBondContact O-OG 3.19Å
22L92.8Very high90.6Very high1 Ų159.5 Ų59.51%0.00533%0.33CS..Hα-helixtrans-64.3-48174.6-69.3170.5000111.6F9 L14 T18 L19 R24 S25 G26 Y27 L59 I63 V102F9-L22 HydrophobicContact CB-CD1 4.08Å; F9-L22 HydrophobicContact CD1-CD1 3.87Å; F9-L22 HydrophobicContact CD2-CD1 4.5Å; F9-L22 HydrophobicContact CE1-CD1 4.41Å; F9-L22 HydrophobicContact CG-CD1 3.91Å; L14-L22 HydrophobicContact CD1-CD1 3.97Å; T18-L22 HydrophobicContact CG2-CD1 4.22Å; T18-L22 WeakPolarHBondContact O-CG 3.23Å; T18-L22 PolarHBondContact O-N 3.4Å; L19-L22 PolarHBondContact O-N 2.88Å; L22-R24 PolarHBondContact O-N 3.34Å; L22-S25 CarbonylContact O-C 3.55Å; L22-S25 PolarHBondContact O-N 3.33Å; L22-S25 VanDerWaalsContact O-N 3.14Å; L22-G26 PolarHBondContact O-N 3.4Å; L22-Y27 HydrophobicContact CD2-CD2 3.91Å; L22-Y27 HydrophobicContact CD2-CG 4.47Å; L22-Y27 PolarHBondContact O-N 3.3Å; L22-L59 HydrophobicContact CD2-CD2 4.26Å; L22-I63 HydrophobicContact CD1-CD1 4.06Å; L22-I63 HydrophobicContact CD2-CD1 3.85Å; L22-I63 HydrophobicContact CD2-CG1 4.18Å; L22-V102 HydrophobicContact CD2-CG1 3.85Å; L22-V102 HydrophobicContact CD2-CG2 3.86Å; L22-V102 HydrophobicContact CG-CG1 4.05Å
23S91.4Very high90.6Very high92 Ų9259.4 Ų59.464%0.64333%0.329SS*.Hα-helixtrans-62-43.7178.4-172.90000111.9L19 N20 S25 G26L19-S23 WeakPolarHBondContact O-CB 3.23Å; L19-S23 PolarHBondContact O-N 3.5Å; N20-S23 PolarHBondContact O-N 3.37Å; S23-S25 PolarHBondContact O-N 3.27Å; S23-G26 PolarHBondContact O-N 3.41Å
24R91.7Very high90.7Very high180 Ų18056.1 Ų56.168%0.67931%0.307SS*.Hα-helixtrans-60.9-31.9176.3-177.1178.3179.1-179.32.9112.2N20 L22 G26N20-R24 VanDerWaalsContact O-CB 3.27Å; N20-R24 WeakPolarHBondContact O-CB 3.32Å; N20-R24 PolarHBondContact O-N 2.92Å; L22-R24 PolarHBondContact O-N 3.34Å; R24-G26 VanDerWaalsContact C-N 3.29Å
25S88.2Confident90.7Very high39 Ų3958.7 Ų58.727%0.27332%0.316SS..THydrogen-bonded Turntrans-85.10.1178.1-550000113.3G21 L22 S23 Y27G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 2.93Å; G21-S25 VanDerWaalsContact O-N 3.15Å; G21-S25 PolarHBondContact O-OG 3.19Å; L22-S25 CarbonylContact O-C 3.55Å; L22-S25 PolarHBondContact O-N 3.33Å; L22-S25 VanDerWaalsContact O-N 3.14Å; S23-S25 PolarHBondContact O-N 3.27Å; S25-Y27 VanDerWaalsContact CB-CD2 3.47Å; S25-Y27 VanDerWaalsContact CB-CE2 3.4Å
26G88.2Confident90.5Very high63 Ų6361.2 Ų61.265%0.64933%0.327SS*.THydrogen-bonded Turntrans78.614.2-179.900000114.9L22 S23 R24 A28L22-G26 PolarHBondContact O-N 3.4Å; S23-G26 PolarHBondContact O-N 3.41Å; R24-G26 VanDerWaalsContact C-N 3.29Å; G26-A28 PolarHBondContact O-N 3.17Å
27Y88.2Confident90.4Very high83 Ų8352.9 Ų52.933%0.32529%0.291SS..  trans-85.198177.7-59-56.4000110.6L22 S25 L59 V102L22-Y27 HydrophobicContact CD2-CD2 3.91Å; L22-Y27 HydrophobicContact CD2-CG 4.47Å; L22-Y27 PolarHBondContact O-N 3.3Å; S25-Y27 VanDerWaalsContact CB-CD2 3.47Å; S25-Y27 VanDerWaalsContact CB-CE2 3.4Å; Y27-L59 HydrophobicContact CD1-CD1 3.77Å; Y27-L59 HydrophobicContact CD2-CD1 3.89Å; Y27-L59 HydrophobicContact CD2-CD2 4.42Å; Y27-L59 HydrophobicContact CE1-CD1 3.75Å; Y27-L59 HydrophobicContact CE2-CD1 3.87Å; Y27-L59 HydrophobicContact CE2-CD2 4.09Å; Y27-L59 HydrophobicContact CG-CD1 3.85Å; Y27-V102 HydrophobicContact CE2-CG2 4.33Å
28A84.3Confident90.4Very high71 Ų7149.9 Ų49.959%0.58728%0.278SS*.  trans-90.4-49.4179.800000113G26G26-A28 PolarHBondContact O-N 3.17Å
29T89.6Confident90.2Very high104 Ų10451.2 Ų51.264%0.63828%0.284SS*.SBendtrans-119.6132-171.154.10000111.6
30P91.2Very high90.1Very high6 Ų650.9 Ų50.94%0.03928%0.283CS..  trans-74.9140.317928.5-33.2000112.2I6 Q7 F9 Q34 R35I6-P30 HydrophobicContact CG2-CG 3.85Å; Q7-P30 WeakPolarHBondContact O-CD 3.37Å; F9-P30 HydrophobicContact CD1-CB 4.18Å; F9-P30 HydrophobicContact CE1-CB 3.73Å; F9-P30 HydrophobicContact CE2-CB 4.19Å; F9-P30 HydrophobicContact CZ-CB 3.75Å; P30-Q34 VanDerWaalsContact CA-OE1 3.29Å; P30-Q34 HydrophobicContact CB-CB 3.98Å; P30-R35 HydrophobicContact CB-CG 3.74Å; P30-R35 HydrophobicContact CG-CG 3.5Å; P30-R35 PolarHBondContact O-NE 3.01Å; P30-R35 VanDerWaalsContact O-NE 3.08Å
31T88.5Confident90.1Very high40 Ų4046.7 Ų46.725%0.24526%0.261CS..  trans-68.616617169.10000110.9I33 Q34 R35 S55T31-I33 PolarHBondContact O-N 2.88Å; T31-I33 WeakPolarHBondContact OG1-CG2 3.43Å; T31-Q34 WeakPolarHBondContact O-CB 3.35Å; T31-Q34 PolarHBondContact O-N 3.13Å; T31-Q34 VanDerWaalsContact OG1-CG 3.23Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.35Å; T31-Q34 PolarHBondContact OG1-NE2 3.31Å; T31-Q34 PolarHBondContact OG1-OE1 3.45Å; T31-R35 WeakPolarHBondContact O-CG 3.45Å; T31-R35 PolarHBondContact O-N 3.4Å; T31-S55 VanDerWaalsContact CB-O 3.24Å; T31-S55 WeakPolarHBondContact CB-O 3.16Å; T31-S55 WeakPolarHBondContact CG2-O 3.23Å; T31-S55 PolarHBondContact OG1-O 3.18Å
32E87.6Confident90Very high93 Ų9347.9 Ų47.944%0.43527%0.267SS..Hα-helixtrans-59.6-43.8-176.7-168.1173-169.500112.6Q34 R35 E36 V207E32-Q34 VanDerWaalsContact C-N 3.27Å; E32-Q34 PolarHBondContact O-N 3.5Å; E32-R35 PolarHBondContact O-N 3.48Å; E32-E36 PolarHBondContact O-N 3.23Å; E32-V207 HydrophobicContact CB-CG1 3.72Å; E32-V207 HydrophobicContact CG-CG1 3.41Å; E32-V207 VanDerWaalsContact CG-CG1 3.41Å; E32-V207 HydrophobicContact CG-CG2 4.34Å; E32-V207 WeakPolarHBondContact OE2-CG1 3.47Å
33I88.6Confident89.8Confident2 Ų255.3 Ų55.31%0.0130%0.295CS..Hα-helixtrans-64.1-31.4174.5-169.662.4000112.8T31 G37 A51 S55 Y183 I205 V207T31-I33 PolarHBondContact O-N 2.88Å; T31-I33 WeakPolarHBondContact OG1-CG2 3.43Å; I33-G37 WeakPolarHBondContact O-CA 3.49Å; I33-G37 PolarHBondContact O-N 3.45Å; I33-A51 HydrophobicContact CB-CB 4.01Å; I33-A51 HydrophobicContact CD1-CB 4.05Å; I33-A51 HydrophobicContact CG1-CB 3.87Å; I33-A51 HydrophobicContact CG2-CB 4.4Å; I33-S55 WeakPolarHBondContact CG2-O 3.44Å; I33-Y183 HydrophobicContact CG1-CE1 4.37Å; I33-I205 HydrophobicContact CD1-CB 4.4Å; I33-I205 HydrophobicContact CD1-CG2 3.72Å; I33-V207 HydrophobicContact CB-CG2 3.86Å; I33-V207 HydrophobicContact CD1-CG2 3.67Å; I33-V207 HydrophobicContact CG1-CG2 4.36Å
34Q92.9Very high89.7Confident7 Ų753.1 Ų53.13%0.03329%0.287CS..Hα-helixtrans-72.6-41.9176.1-69.3163.96.500110.7P30 T31 E32 E36 I38 G56 L59 A60P30-Q34 VanDerWaalsContact CA-OE1 3.29Å; P30-Q34 HydrophobicContact CB-CB 3.98Å; T31-Q34 WeakPolarHBondContact O-CB 3.35Å; T31-Q34 PolarHBondContact O-N 3.13Å; T31-Q34 VanDerWaalsContact OG1-CG 3.23Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.35Å; T31-Q34 PolarHBondContact OG1-NE2 3.31Å; T31-Q34 PolarHBondContact OG1-OE1 3.45Å; E32-Q34 VanDerWaalsContact C-N 3.27Å; E32-Q34 PolarHBondContact O-N 3.5Å; Q34-E36 PolarHBondContact O-N 3.45Å; Q34-I38 HydrophobicContact CB-CD1 3.73Å; Q34-I38 HydrophobicContact CB-CG1 4.38Å; Q34-I38 HydrophobicContact CG-CD1 4.31Å; Q34-I38 VanDerWaalsContact O-CB 3.23Å; Q34-I38 WeakPolarHBondContact O-CB 3.3Å; Q34-I38 WeakPolarHBondContact O-CD1 3.41Å; Q34-I38 WeakPolarHBondContact O-CG1 3.49Å; Q34-I38 PolarHBondContact O-N 2.84Å; Q34-G56 PolarHBondContact NE2-O 3.1Å; Q34-L59 HydrophobicContact CG-CB 4.49Å; Q34-A60 HydrophobicContact CG-CB 3.98Å
35R91.1Very high89.6Confident72 Ų7249.1 Ų49.127%0.27228%0.275SS..Hα-helixtrans-62.7-40.9177.7-73.6-174.8-90.3147.8-3.3112.4I6 P30 T31 E32I6-R35 HydrophobicContact CB-CG 4.2Å; I6-R35 HydrophobicContact CG2-CG 4.03Å; I6-R35 WeakPolarHBondContact O-CD 3.45Å; P30-R35 HydrophobicContact CB-CG 3.74Å; P30-R35 HydrophobicContact CG-CG 3.5Å; P30-R35 PolarHBondContact O-NE 3.01Å; P30-R35 VanDerWaalsContact O-NE 3.08Å; T31-R35 WeakPolarHBondContact O-CG 3.45Å; T31-R35 PolarHBondContact O-N 3.4Å; E32-R35 PolarHBondContact O-N 3.48Å
36E88.4Confident89.8Confident58 Ų5847.8 Ų47.827%0.27127%0.265SS..Hα-helixtrans-78.3-44.4178.3-65.3-173.2163.500111.9E32 Q34 L40 I205 V207E32-E36 PolarHBondContact O-N 3.23Å; Q34-E36 PolarHBondContact O-N 3.45Å; E36-L40 WeakPolarHBondContact O-CD1 3.49Å; E36-I205 HydrophobicContact CB-CG2 3.65Å; E36-I205 WeakPolarHBondContact OE2-CG2 3.34Å; E36-V207 WeakPolarHBondContact OE2-CG2 3.48Å
37G90.3Very high90Very high0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-77.6-43.5-171.900000115.5I33 L39 L40 A41 I205I33-G37 WeakPolarHBondContact O-CA 3.49Å; I33-G37 PolarHBondContact O-N 3.45Å; G37-L39 PolarHBondContact O-N 3.42Å; G37-L40 PolarHBondContact O-N 2.95Å; G37-A41 WeakPolarHBondContact O-CB 3.38Å; G37-A41 PolarHBondContact O-N 2.99Å; G37-I205 VanDerWaalsContact CA-CD1 3.44Å
38I93Very high90.1Very high0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-61.8-46.9-168.1-68.5169.5000111F9 I12 Q34 L40 A41 L42 I63 P64F9-I38 HydrophobicContact CE1-CD1 4.05Å; I12-I38 HydrophobicContact CD1-CB 4.38Å; I12-I38 HydrophobicContact CD1-CD1 4.22Å; I12-I38 HydrophobicContact CD1-CG2 4.16Å; I12-I38 HydrophobicContact CG2-CG2 3.91Å; Q34-I38 HydrophobicContact CB-CD1 3.73Å; Q34-I38 HydrophobicContact CB-CG1 4.38Å; Q34-I38 HydrophobicContact CG-CD1 4.31Å; Q34-I38 VanDerWaalsContact O-CB 3.23Å; Q34-I38 WeakPolarHBondContact O-CB 3.3Å; Q34-I38 WeakPolarHBondContact O-CD1 3.41Å; Q34-I38 WeakPolarHBondContact O-CG1 3.49Å; Q34-I38 PolarHBondContact O-N 2.84Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 3.46Å; I38-A41 PolarHBondContact O-N 3.28Å; I38-L42 HydrophobicContact CG2-CD1 3.76Å; I38-L42 HydrophobicContact CG2-CG 4.17Å; I38-L42 WeakPolarHBondContact O-CB 3.44Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.34Å; I38-I63 HydrophobicContact CD1-CB 4.35Å; I38-I63 HydrophobicContact CD1-CD1 3.7Å; I38-I63 HydrophobicContact CD1-CG2 4.43Å; I38-I63 HydrophobicContact CG2-CG2 4.01Å; I38-P64 HydrophobicContact CG1-CG 4.46Å; I38-P64 HydrophobicContact CG2-CG 4.37Å
39L90.2Very high90.3Very high27 Ų2737.8 Ų37.814%0.14119%0.192CC..Hα-helixtrans-67.2-34.8-176.2-171.264.8000112.5P13 G37 R43P13-L39 HydrophobicContact CG-CD1 4.23Å; G37-L39 PolarHBondContact O-N 3.42Å; L39-R43 WeakPolarHBondContact O-CG 3.36Å; L39-R43 PolarHBondContact O-N 2.99Å
40L91.3Very high90.2Very high41 Ų4133.1 Ų33.122%0.21516%0.164CC..Hα-helixtrans-69.4-46.4177-68.9172.1000111E36 G37 I38 L42 R43 F45 V47 V203 I205E36-L40 WeakPolarHBondContact O-CD1 3.49Å; G37-L40 PolarHBondContact O-N 2.95Å; I38-L40 VanDerWaalsContact C-N 3.33Å; I38-L40 PolarHBondContact O-N 3.46Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.16Å; L40-R43 WeakPolarHBondContact O-CB 3.35Å; L40-R43 PolarHBondContact O-N 3.4Å; L40-R43 VanDerWaalsContact O-N 3.12Å; L40-F45 PolarHBondContact O-N 3.46Å; L40-V47 HydrophobicContact CB-CG2 4.31Å; L40-V203 HydrophobicContact CD1-CB 4.43Å; L40-V203 HydrophobicContact CD1-CG1 3.69Å; L40-I205 HydrophobicContact CD1-CD1 3.57Å; L40-I205 HydrophobicContact CD1-CG1 4.1Å
41A92.2Very high89.8Confident2 Ų233 Ų332%0.01716%0.163CC..Hα-helixtrans-62.2-39.7175.500000111.8G37 I38 R43 G44 V47 P64 Q179 L181G37-A41 WeakPolarHBondContact O-CB 3.38Å; G37-A41 PolarHBondContact O-N 2.99Å; I38-A41 PolarHBondContact O-N 3.28Å; A41-R43 PolarHBondContact O-N 2.97Å; A41-G44 PolarHBondContact O-N 3.14Å; A41-V47 HydrophobicContact CB-CG2 4.18Å; A41-P64 HydrophobicContact CB-CB 3.59Å; A41-P64 HydrophobicContact CB-CG 3.51Å; A41-Q179 PolarHBondContact O-NE2 3.33Å; A41-L181 HydrophobicContact CB-CD1 4.36Å; A41-L181 HydrophobicContact CB-CD2 3.98Å
42L90.7Very high89.3Confident25 Ų2532.7 Ų32.713%0.13116%0.158CC..Hα-helixtrans-64.7-20.1175.8-73176.4000114.4I12 L14 I38 L40 G44 P64 E67I12-L42 HydrophobicContact CG2-CD1 3.89Å; L14-L42 HydrophobicContact CD2-CD1 3.78Å; I38-L42 HydrophobicContact CG2-CD1 3.76Å; I38-L42 HydrophobicContact CG2-CG 4.17Å; I38-L42 WeakPolarHBondContact O-CB 3.44Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.34Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.16Å; L42-G44 VanDerWaalsContact C-N 3.29Å; L42-P64 HydrophobicContact CD2-CB 4.43Å; L42-E67 HydrophobicContact CD2-CB 3.62Å; L42-E67 HydrophobicContact CD2-CG 3.49Å; L42-E67 VanDerWaalsContact CD2-CG 3.49Å
43R88.8Confident88.6Confident156 Ų15629 Ų2959%0.58914%0.143SC*.THydrogen-bonded Turntrans-83.6-5.4174.3-72.5172.6-178-178.61.5113L39 L40 A41 F45L39-R43 WeakPolarHBondContact O-CG 3.36Å; L39-R43 PolarHBondContact O-N 2.99Å; L40-R43 WeakPolarHBondContact O-CB 3.35Å; L40-R43 PolarHBondContact O-N 3.4Å; L40-R43 VanDerWaalsContact O-N 3.12Å; A41-R43 PolarHBondContact O-N 2.97Å; R43-F45 HydrophobicContact CB-CD2 3.75Å; R43-F45 HydrophobicContact CB-CE2 3.83Å
44G88Confident87.8Confident46 Ų4630 Ų3047%0.47415%0.153SC..THydrogen-bonded Turntrans90.87-179.900000114.7A41 L42A41-G44 PolarHBondContact O-N 3.14Å; L42-G44 VanDerWaalsContact C-N 3.29Å
45F90.3Very high87.1Confident97 Ų9730.5 Ų30.543%0.42516%0.157SC..  trans-71.5144.7174.3-68.3-75.9000111.1L40 R43 Q179 V203L40-F45 PolarHBondContact O-N 3.46Å; R43-F45 HydrophobicContact CB-CD2 3.75Å; R43-F45 HydrophobicContact CB-CE2 3.83Å; F45-Q179 PolarHBondContact O-NE2 3.32Å; F45-V203 HydrophobicContact CB-CG2 3.99Å; F45-V203 HydrophobicContact CD1-CG2 4.16Å; F45-V203 HydrophobicContact CG-CG2 4.08Å
46D92.4Very high86.7Confident11 Ų1127.6 Ų27.66%0.05915%0.149CC..  trans-66.2139.7162.1-80.310.1000109.2Q179 T180 L199 N200 P202 V203D46-Q179 WeakPolarHBondContact OD1-CA 3.46Å; D46-T180 VanDerWaalsContact CA-O 3.32Å; D46-T180 WeakPolarHBondContact CA-O 3.37Å; D46-T180 WeakPolarHBondContact CB-O 3.44Å; D46-T180 PolarHBondContact OD1-N 3.1Å; D46-L199 HydrophobicContact CB-CB 4.36Å; D46-L199 HydrophobicContact CB-CD2 4.34Å; D46-L199 VanDerWaalsContact OD2-CA 3.31Å; D46-L199 WeakPolarHBondContact OD2-CA 3.41Å; D46-N200 PolarHBondContact OD2-N 3.43Å; D46-P202 HydrophobicContact CB-CB 4.16Å; D46-P202 WeakPolarHBondContact O-CA 3.3Å; D46-V203 PolarHBondContact O-N 3.13Å
47V91.6Very high86.7Confident0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-127.9129.4-174.6176.70000109.9L40 A41 T180 L181 L182 I205L40-V47 HydrophobicContact CB-CG2 4.31Å; A41-V47 HydrophobicContact CB-CG2 4.18Å; V47-T180 PolarHBondContact N-O 2.74Å; V47-L181 HydrophobicContact CB-CD2 3.87Å; V47-L181 HydrophobicContact CG2-CD2 4.01Å; V47-L182 PolarHBondContact O-N 2.59Å; V47-I205 HydrophobicContact CG1-CD1 3.57Å; V47-I205 HydrophobicContact CG1-CG1 4.16Å
48L91.3Very high86.7Confident6 Ų626.7 Ų26.73%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-105.1100163.3-166.1159.4000108.8A50 L182 A195 L199 V203 Y204 I205L48-A50 HydrophobicContact CD2-CB 4.4Å; L48-L182 CarbonylContact C-O 3.58Å; L48-L182 WeakPolarHBondContact CA-O 3.47Å; L48-L182 HydrophobicContact CD1-CD2 4.48Å; L48-L182 HydrophobicContact CG-CD2 4.1Å; L48-A195 HydrophobicContact CD1-CB 3.5Å; L48-L199 HydrophobicContact CB-CD1 4.21Å; L48-L199 HydrophobicContact CD1-CD1 4.45Å; L48-V203 PolarHBondContact N-O 3.24Å; L48-Y204 HydrophobicContact CB-CD1 3.96Å; L48-Y204 HydrophobicContact CB-CE1 4.28Å; L48-Y204 HydrophobicContact CD1-CD1 3.94Å; L48-Y204 HydrophobicContact CD1-CE1 3.64Å; L48-Y204 HydrophobicContact CD2-CD1 4.27Å; L48-Y204 HydrophobicContact CG-CD1 4.26Å; L48-Y204 HydrophobicContact CG-CE1 4.42Å; L48-I205 PolarHBondContact O-N 3.15Å
49G89Confident86.7Confident0 Ų027.1 Ų27.10%015%0.149CC..EExtended strand (participates in β ladder)trans-95.7107.1179.700000112.5L182 Y183 S184G49-L182 PolarHBondContact N-O 3.36Å; G49-Y183 WeakPolarHBondContact O-CA 3.32Å; G49-S184 PolarHBondContact O-N 3.32Å
50A87.3Confident86.9Confident6 Ų625.9 Ų25.95%0.0514%0.142CC..EExtended strand (participates in β ladder)trans-102.8113.9173.700000110.7L48 Q187 I205L48-A50 HydrophobicContact CD2-CB 4.4Å; A50-Q187 HydrophobicContact CB-CG 3.41Å; A50-Q187 VanDerWaalsContact CB-CG 3.41Å; A50-I205 PolarHBondContact N-O 3.38Å
51A83.1Confident86.9Confident3 Ų323.9 Ų23.93%0.02513%0.132CC..  trans-150.8152.8176.700000112.3I33 S55 K57 S184 A185I33-A51 HydrophobicContact CB-CB 4.01Å; I33-A51 HydrophobicContact CD1-CB 4.05Å; I33-A51 HydrophobicContact CG1-CB 3.87Å; I33-A51 HydrophobicContact CG2-CB 4.4Å; A51-S55 WeakPolarHBondContact CB-OG 3.46Å; A51-K57 HydrophobicContact CB-CD 4.29Å; A51-K57 HydrophobicContact CB-CG 4.21Å; A51-K57 PolarHBondContact O-NZ 2.78Å; A51-S184 PolarHBondContact N-O 2.97Å; A51-S184 VanDerWaalsContact N-O 3.16Å; A51-A185 WeakPolarHBondContact O-CA 3.23Å
52K76.7Confident86.9Confident34 Ų3423.8 Ų23.815%0.14813%0.131CC..  trans-55.7161.3-179.2-70.5174.8179-178.30111.8S55 K57 H208 S211 F213 S214 T215K52-S55 WeakPolarHBondContact O-CB 3.1Å; K52-S55 PolarHBondContact O-N 2.87Å; K52-S55 PolarHBondContact O-OG 3.27Å; K52-K57 PolarHBondContact O-NZ 2.75Å; K52-K57 VanDerWaalsContact O-NZ 3.15Å; K52-H208 HydrophobicContact CD-CB 4.33Å; K52-H208 HydrophobicContact CG-CB 4.31Å; K52-H208 PolarHBondContact N-CD2 2.87Å; K52-S211 WeakPolarHBondContact CE-OG 3.41Å; K52-S211 PolarHBondContact NZ-OG 3.31Å; K52-F213 PolarHBondContact NZ-O 3.12Å; K52-S214 WeakPolarHBondContact CE-O 3.49Å; K52-T215 PolarHBondContact NZ-O 3.01Å
53T72.7Confident87Confident17 Ų1722.6 Ų22.610%0.10413%0.125CC..THydrogen-bonded Turntrans-62.5137.9174.154.10000110.3S55 A185 G335 R336T53-S55 VanDerWaalsContact C-N 3.32Å; T53-A185 HydrophobicContact CG2-CB 4.19Å; T53-G335 WeakPolarHBondContact OG1-CA 3.25Å; T53-G335 PolarHBondContact OG1-O 3.26Å; T53-R336 VanDerWaalsContact CG2-NH2 3.35Å
54G71.8Confident87.2Confident22 Ų2215.3 Ų15.323%0.22710%0.098CC..THydrogen-bonded Turntrans77.310.7-178.400000115.3G56G54-G56 PolarHBondContact O-N 3.09Å
55S78.1Confident87.3Confident18 Ų1813.1 Ų13.113%0.1268%0.075CC..SBendtrans-77.20.8174.2630000114.2T31 I33 A51 K52 T53 K57T31-S55 VanDerWaalsContact CB-O 3.24Å; T31-S55 WeakPolarHBondContact CB-O 3.16Å; T31-S55 WeakPolarHBondContact CG2-O 3.23Å; T31-S55 PolarHBondContact OG1-O 3.18Å; I33-S55 WeakPolarHBondContact CG2-O 3.44Å; A51-S55 WeakPolarHBondContact CB-OG 3.46Å; K52-S55 WeakPolarHBondContact O-CB 3.1Å; K52-S55 PolarHBondContact O-N 2.87Å; K52-S55 PolarHBondContact O-OG 3.27Å; T53-S55 VanDerWaalsContact C-N 3.32Å; S55-K57 WeakPolarHBondContact OG-CG 3.25Å
56G84Confident87.3Confident10 Ų108.5 Ų8.510%0.1036%0.055CC..  trans82.227.1-178.500000114.9Q34 G54 T58 L59 A60Q34-G56 PolarHBondContact NE2-O 3.1Å; G54-G56 PolarHBondContact O-N 3.09Å; G56-T58 PolarHBondContact O-N 2.88Å; G56-L59 PolarHBondContact O-N 3.36Å; G56-A60 PolarHBondContact O-N 3.06Å
57K88.6Confident87.3Confident14 Ų148.1 Ų8.16%0.0615%0.053CC..Hα-helixtrans-52.3-37.7178-64.1-167.1-72.4-93.80113.7A51 K52 S55 L59 A60 F61 Y183A51-K57 HydrophobicContact CB-CD 4.29Å; A51-K57 HydrophobicContact CB-CG 4.21Å; A51-K57 PolarHBondContact O-NZ 2.78Å; K52-K57 PolarHBondContact O-NZ 2.75Å; K52-K57 VanDerWaalsContact O-NZ 3.15Å; S55-K57 WeakPolarHBondContact OG-CG 3.25Å; K57-L59 PolarHBondContact O-N 3.3Å; K57-A60 WeakPolarHBondContact O-CA 3Å; K57-A60 VanDerWaalsContact O-CB 3.23Å; K57-A60 WeakPolarHBondContact O-CB 3.28Å; K57-A60 PolarHBondContact O-N 2.9Å; K57-F61 WeakPolarHBondContact O-CD1 3.35Å; K57-F61 PolarHBondContact O-N 3.03Å; K57-Y183 HydrophobicContact CB-CD1 4.24Å; K57-Y183 HydrophobicContact CD-CD1 4.36Å; K57-Y183 HydrophobicContact CG-CD1 4.39Å
58T90.5Very high87.1Confident26 Ų2610.1 Ų10.116%0.166%0.061CC..Hα-helixtrans-55.8-47.7-178.5-46.60000112.4G56 A60 F61 A62 T95 T98G56-T58 PolarHBondContact O-N 2.88Å; T58-A60 VanDerWaalsContact C-N 3.3Å; T58-A60 PolarHBondContact O-N 2.91Å; T58-F61 VanDerWaalsContact CA-CE1 3.5Å; T58-F61 HydrophobicContact CG2-CZ 4.03Å; T58-A62 WeakPolarHBondContact O-CB 3.43Å; T58-A62 PolarHBondContact O-N 3.27Å; T58-T95 HydrophobicContact CG2-CG2 3.95Å; T58-T98 HydrophobicContact CG2-CG2 3.93Å
59L92.3Very high86.8Confident9 Ų910 Ų105%0.0476%0.06CC..Hα-helixtrans-70-27.9175.7-72.5176.3000112.7L22 Y27 Q34 G56 K57 F61 A62 I63 T98 V102L22-L59 HydrophobicContact CD2-CD2 4.26Å; Y27-L59 HydrophobicContact CD1-CD1 3.77Å; Y27-L59 HydrophobicContact CD2-CD1 3.89Å; Y27-L59 HydrophobicContact CD2-CD2 4.42Å; Y27-L59 HydrophobicContact CE1-CD1 3.75Å; Y27-L59 HydrophobicContact CE2-CD1 3.87Å; Y27-L59 HydrophobicContact CE2-CD2 4.09Å; Y27-L59 HydrophobicContact CG-CD1 3.85Å; Q34-L59 HydrophobicContact CG-CB 4.49Å; G56-L59 PolarHBondContact O-N 3.36Å; K57-L59 PolarHBondContact O-N 3.3Å; L59-F61 VanDerWaalsContact C-N 3.28Å; L59-F61 PolarHBondContact O-N 3.34Å; L59-A62 PolarHBondContact O-N 2.99Å; L59-I63 HydrophobicContact CB-CD1 4.13Å; L59-I63 HydrophobicContact CD2-CD1 4.49Å; L59-I63 HydrophobicContact CD2-CG1 4.49Å; L59-I63 WeakPolarHBondContact O-CB 3.17Å; L59-I63 WeakPolarHBondContact O-CG1 3.37Å; L59-I63 PolarHBondContact O-N 2.81Å; L59-I63 VanDerWaalsContact O-N 3.11Å; L59-T98 HydrophobicContact CD2-CG2 3.79Å; L59-T98 HydrophobicContact CG-CG2 4.4Å; L59-V102 HydrophobicContact CD2-CG2 3.69Å
60A93.2Very high86.8Confident0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-62.8-33.7-179.300000112.3Q34 G56 K57 T58 P64 Y183Q34-A60 HydrophobicContact CG-CB 3.98Å; G56-A60 PolarHBondContact O-N 3.06Å; K57-A60 WeakPolarHBondContact O-CA 3Å; K57-A60 VanDerWaalsContact O-CB 3.23Å; K57-A60 WeakPolarHBondContact O-CB 3.28Å; K57-A60 PolarHBondContact O-N 2.9Å; T58-A60 VanDerWaalsContact C-N 3.3Å; T58-A60 PolarHBondContact O-N 2.91Å; A60-P64 WeakPolarHBondContact O-CD 3.49Å; A60-P64 WeakPolarHBondContact O-CG 3.43Å; A60-Y183 HydrophobicContact CB-CE1 3.85Å; A60-Y183 PolarHBondContact O-OH 3.43Å
61F92.9Very high86.7Confident0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-96.6-33.117163.1-105.6000113.9K57 T58 L59 I63 P64 V65 V84 T95 V151 D153 L181 Y183K57-F61 WeakPolarHBondContact O-CD1 3.35Å; K57-F61 PolarHBondContact O-N 3.03Å; T58-F61 VanDerWaalsContact CA-CE1 3.5Å; T58-F61 HydrophobicContact CG2-CZ 4.03Å; L59-F61 VanDerWaalsContact C-N 3.28Å; L59-F61 PolarHBondContact O-N 3.34Å; F61-I63 VanDerWaalsContact C-N 3.34Å; F61-I63 PolarHBondContact O-N 3.05Å; F61-P64 WeakPolarHBondContact O-CD 3.43Å; F61-V65 VanDerWaalsContact O-CG2 3.28Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 3.01Å; F61-V65 VanDerWaalsContact O-N 3.1Å; F61-V84 HydrophobicContact CE2-CG1 4.04Å; F61-V84 HydrophobicContact CZ-CG1 4.46Å; F61-T95 HydrophobicContact CE2-CG2 3.48Å; F61-T95 VanDerWaalsContact CE2-CG2 3.48Å; F61-T95 HydrophobicContact CZ-CG2 3.59Å; F61-V151 HydrophobicContact CB-CG1 3.9Å; F61-V151 HydrophobicContact CB-CG2 4.49Å; F61-V151 HydrophobicContact CD1-CG1 4.07Å; F61-V151 HydrophobicContact CD2-CG1 3.72Å; F61-V151 HydrophobicContact CD2-CG2 4.5Å; F61-V151 HydrophobicContact CE1-CG1 4.47Å; F61-V151 HydrophobicContact CE2-CG1 4.19Å; F61-V151 HydrophobicContact CG-CG1 3.66Å; F61-D153 HydrophobicContact CE1-CB 4.1Å; F61-D153 HydrophobicContact CZ-CB 4.13Å; F61-L181 HydrophobicContact CB-CD1 4.16Å; F61-Y183 HydrophobicContact CB-CD2 3.9Å; F61-Y183 HydrophobicContact CB-CE2 3.51Å; F61-Y183 AromaticContact CD1-CD2 3.79Å; F61-Y183 HydrophobicContact CD1-CD2 3.79Å; F61-Y183 HydrophobicContact CD1-CE2 4.18Å; F61-Y183 HydrophobicContact CD1-CG 4.12Å; F61-Y183 HydrophobicContact CG-CD2 4.28Å; F61-Y183 HydrophobicContact CG-CE2 4.34Å
62A92.3Very high86.8Confident0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-64.2-39.3-176.400000112.2T58 L59 V65 I66 I99T58-A62 WeakPolarHBondContact O-CB 3.43Å; T58-A62 PolarHBondContact O-N 3.27Å; L59-A62 PolarHBondContact O-N 2.99Å; A62-V65 PolarHBondContact O-N 2.78Å; A62-I66 WeakPolarHBondContact O-CB 3.38Å; A62-I66 VanDerWaalsContact O-CG1 3.27Å; A62-I66 WeakPolarHBondContact O-CG1 3.2Å; A62-I66 PolarHBondContact O-N 2.97Å; A62-I99 HydrophobicContact CB-CD1 4.41Å; A62-I99 HydrophobicContact CB-CG1 3.79Å
63I93.2Very high87Confident0 Ų033.2 Ų33.20%015%0.15CC..Hα-helixtrans-64.1-51.9179-67.5165.9000111F9 L14 T18 L22 I38 L59 F61 V65 I66 E67F9-I63 HydrophobicContact CD1-CD1 4.12Å; F9-I63 HydrophobicContact CE1-CD1 3.55Å; F9-I63 HydrophobicContact CZ-CD1 4.34Å; L14-I63 HydrophobicContact CD1-CG2 3.91Å; L14-I63 HydrophobicContact CD2-CG2 3.58Å; L14-I63 HydrophobicContact CG-CG2 4.42Å; T18-I63 HydrophobicContact CG2-CG2 4.39Å; L22-I63 HydrophobicContact CD1-CD1 4.06Å; L22-I63 HydrophobicContact CD2-CD1 3.85Å; L22-I63 HydrophobicContact CD2-CG1 4.18Å; I38-I63 HydrophobicContact CD1-CB 4.35Å; I38-I63 HydrophobicContact CD1-CD1 3.7Å; I38-I63 HydrophobicContact CD1-CG2 4.43Å; I38-I63 HydrophobicContact CG2-CG2 4.01Å; L59-I63 HydrophobicContact CB-CD1 4.13Å; L59-I63 HydrophobicContact CD2-CD1 4.49Å; L59-I63 HydrophobicContact CD2-CG1 4.49Å; L59-I63 WeakPolarHBondContact O-CB 3.17Å; L59-I63 WeakPolarHBondContact O-CG1 3.37Å; L59-I63 PolarHBondContact O-N 2.81Å; L59-I63 VanDerWaalsContact O-N 3.11Å; F61-I63 VanDerWaalsContact C-N 3.34Å; F61-I63 PolarHBondContact O-N 3.05Å; I63-V65 VanDerWaalsContact C-N 3.32Å; I63-V65 PolarHBondContact O-N 3.2Å; I63-I66 PolarHBondContact O-N 3.4Å; I63-E67 VanDerWaalsContact O-CB 3.31Å; I63-E67 WeakPolarHBondContact O-CB 3.32Å; I63-E67 PolarHBondContact O-N 3.05Å
64P92.7Very high87.2Confident3 Ų334 Ų342%0.01915%0.151CC..Hα-helixtrans-55-43173.8-29.534.5000114.1I38 A41 L42 A60 F61 E67 Y68 L181I38-P64 HydrophobicContact CG1-CG 4.46Å; I38-P64 HydrophobicContact CG2-CG 4.37Å; A41-P64 HydrophobicContact CB-CB 3.59Å; A41-P64 HydrophobicContact CB-CG 3.51Å; L42-P64 HydrophobicContact CD2-CB 4.43Å; A60-P64 WeakPolarHBondContact O-CD 3.49Å; A60-P64 WeakPolarHBondContact O-CG 3.43Å; F61-P64 WeakPolarHBondContact O-CD 3.43Å; P64-E67 PolarHBondContact O-N 3.01Å; P64-Y68 WeakPolarHBondContact O-CB 3.28Å; P64-Y68 PolarHBondContact O-N 3.11Å; P64-L181 HydrophobicContact CB-CD1 4.42Å
65V90.3Very high86.9Confident0 Ų036.4 Ų36.40%016%0.161CC..Hα-helixtrans-61.9-51.8178.1173.40000110.8F61 A62 I63 E67 Y68 L69 A82 L128 V151F61-V65 VanDerWaalsContact O-CG2 3.28Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 3.01Å; F61-V65 VanDerWaalsContact O-N 3.1Å; A62-V65 PolarHBondContact O-N 2.78Å; I63-V65 VanDerWaalsContact C-N 3.32Å; I63-V65 PolarHBondContact O-N 3.2Å; V65-E67 VanDerWaalsContact C-N 3.32Å; V65-E67 PolarHBondContact O-N 3.32Å; V65-Y68 WeakPolarHBondContact O-CB 3.49Å; V65-Y68 PolarHBondContact O-N 3.32Å; V65-L69 HydrophobicContact CG1-CD1 4.29Å; V65-L69 VanDerWaalsContact O-CG 3.29Å; V65-L69 WeakPolarHBondContact O-CG 3.4Å; V65-L69 PolarHBondContact O-N 2.86Å; V65-A82 HydrophobicContact CG1-CB 3.7Å; V65-L128 HydrophobicContact CG1-CD2 3.83Å; V65-V151 HydrophobicContact CG2-CG2 3.74Å
66I90.2Very high86.2Confident0 Ų037.5 Ų37.50%017%0.171CC..Hα-helixtrans-57.3-46179.2-74.5168.8000111.5T18 A62 I63 L69 W70 I99 V102 H106 F108T18-I66 HydrophobicContact CG2-CG2 4.38Å; A62-I66 WeakPolarHBondContact O-CB 3.38Å; A62-I66 VanDerWaalsContact O-CG1 3.27Å; A62-I66 WeakPolarHBondContact O-CG1 3.2Å; A62-I66 PolarHBondContact O-N 2.97Å; I63-I66 PolarHBondContact O-N 3.4Å; I66-L69 PolarHBondContact O-N 2.84Å; I66-W70 WeakPolarHBondContact O-CB 3.41Å; I66-W70 PolarHBondContact O-N 3.24Å; I66-I99 HydrophobicContact CD1-CG2 4.45Å; I66-V102 HydrophobicContact CD1-CB 3.86Å; I66-V102 HydrophobicContact CD1-CG1 3.73Å; I66-H106 WeakPolarHBondContact CG2-NE2 3.25Å; I66-F108 HydrophobicContact CB-CZ 4.01Å; I66-F108 HydrophobicContact CG1-CE2 4.27Å; I66-F108 HydrophobicContact CG1-CZ 3.8Å; I66-F108 HydrophobicContact CG2-CE1 3.98Å; I66-F108 HydrophobicContact CG2-CZ 3.6Å
67E91Very high85.2Confident2 Ų240.6 Ų40.61%0.00920%0.203CC..Hα-helixtrans-71.1-36.1-177.9-174.865-161.100111.7L14 S15 T18 L42 I63 P64 V65 W70 R71L14-E67 HydrophobicContact CD2-CG 4.25Å; S15-E67 WeakPolarHBondContact CB-OE2 3.45Å; S15-E67 PolarHBondContact N-OE1 3.33Å; S15-E67 PolarHBondContact N-OE2 3.28Å; S15-E67 PolarHBondContact OG-OE2 2.88Å; T18-E67 PolarHBondContact OG1-OE2 3.2Å; L42-E67 HydrophobicContact CD2-CB 3.62Å; L42-E67 HydrophobicContact CD2-CG 3.49Å; L42-E67 VanDerWaalsContact CD2-CG 3.49Å; I63-E67 VanDerWaalsContact O-CB 3.31Å; I63-E67 WeakPolarHBondContact O-CB 3.32Å; I63-E67 PolarHBondContact O-N 3.05Å; P64-E67 PolarHBondContact O-N 3.01Å; V65-E67 VanDerWaalsContact C-N 3.32Å; V65-E67 PolarHBondContact O-N 3.32Å; E67-W70 PolarHBondContact O-N 3.33Å; E67-W70 WeakPolarHBondContact OE1-CZ3 3.27Å; E67-R71 HydrophobicContact CG-CG 4.48Å; E67-R71 WeakPolarHBondContact O-CB 3.29Å; E67-R71 VanDerWaalsContact O-CG 3.25Å; E67-R71 WeakPolarHBondContact O-CG 3.49Å; E67-R71 PolarHBondContact O-N 3.11Å; E67-R71 IonicContact OE1-CZ 3.73Å; E67-R71 IonicContact OE1-NE 2.71Å; E67-R71 PolarHBondContact OE1-NE 2.83Å; E67-R71 IonicContact OE1-NH2 3.06Å
68Y87.9Confident84.1Confident43 Ų4345.3 Ų45.317%0.16922%0.224CC..Hα-helixtrans-58.4-51.6172172.3-98.2000111P64 V65 W70 R71 Q72 N148P64-Y68 WeakPolarHBondContact O-CB 3.28Å; P64-Y68 PolarHBondContact O-N 3.11Å; V65-Y68 WeakPolarHBondContact O-CB 3.49Å; V65-Y68 PolarHBondContact O-N 3.32Å; Y68-W70 VanDerWaalsContact C-N 3.29Å; Y68-W70 PolarHBondContact O-N 2.9Å; Y68-R71 PolarHBondContact O-N 3.31Å; Y68-Q72 HydrophobicContact CD2-CG 4.18Å; Y68-Q72 HydrophobicContact CE1-CG 4.14Å; Y68-Q72 HydrophobicContact CE2-CG 3.74Å; Y68-Q72 WeakPolarHBondContact O-CG 3.49Å; Y68-Q72 PolarHBondContact O-N 3.28Å; Y68-N148 HydrophobicContact CE1-CB 4.18Å; Y68-N148 WeakPolarHBondContact OH-CB 3.49Å; Y68-N148 PolarHBondContact OH-ND2 3.13Å; Y68-N148 VanDerWaalsContact OH-ND2 3.07Å
69L85.6Confident83.3Confident2 Ų244.7 Ų44.71%0.0122%0.223CC..Hα-helixtrans-57.6-43.7178.1-63.7178000112V65 I66 R73 W74 A81 F108 L128V65-L69 HydrophobicContact CG1-CD1 4.29Å; V65-L69 VanDerWaalsContact O-CG 3.29Å; V65-L69 WeakPolarHBondContact O-CG 3.4Å; V65-L69 PolarHBondContact O-N 2.86Å; I66-L69 PolarHBondContact O-N 2.84Å; L69-R73 PolarHBondContact O-N 3.45Å; L69-W74 HydrophobicContact CB-CB 4.47Å; L69-W74 HydrophobicContact CD2-CB 4.33Å; L69-W74 HydrophobicContact CD2-CG 4.4Å; L69-W74 PolarHBondContact O-N 2.92Å; L69-A81 HydrophobicContact CD2-CB 3.09Å; L69-F108 HydrophobicContact CB-CD1 4.01Å; L69-F108 HydrophobicContact CB-CE1 4.33Å; L69-F108 HydrophobicContact CD1-CD1 4.37Å; L69-F108 HydrophobicContact CD1-CD2 4.42Å; L69-F108 HydrophobicContact CD1-CG 4.27Å; L69-L128 HydrophobicContact CD1-CD2 4.14Å
70W87.4Confident82.5Confident107 Ų10744.7 Ų44.741%0.40522%0.222SC..Hα-helixtrans-64.3-45.4178.2178.475.8000112.4S15 I66 E67 Y68 Q72 R73 H106S15-W70 VanDerWaalsContact CB-CE3 3.49Å; S15-W70 VanDerWaalsContact CB-CZ3 3.49Å; I66-W70 WeakPolarHBondContact O-CB 3.41Å; I66-W70 PolarHBondContact O-N 3.24Å; E67-W70 PolarHBondContact O-N 3.33Å; E67-W70 WeakPolarHBondContact OE1-CZ3 3.27Å; Y68-W70 VanDerWaalsContact C-N 3.29Å; Y68-W70 PolarHBondContact O-N 2.9Å; W70-Q72 PolarHBondContact O-N 3.15Å; W70-R73 PolarHBondContact O-N 2.95Å; W70-H106 AromaticContact CD1-CE1 3.58Å; W70-H106 AromaticContact CD1-ND1 3.31Å; W70-H106 VanDerWaalsContact CD1-ND1 3.31Å; W70-H106 AromaticContact CG-CE1 3.63Å; W70-H106 AromaticContact CG-ND1 3.73Å
71R86.9Confident81.9Confident110 Ų11044.7 Ų44.742%0.41522%0.223SC..Hα-helixtrans-65.8-37179.8-73.5176.6-177.9-160.21.2112.8P13 E67 Y68 R73P13-R71 PolarHBondContact O-NH2 3.31Å; E67-R71 HydrophobicContact CG-CG 4.48Å; E67-R71 WeakPolarHBondContact O-CB 3.29Å; E67-R71 VanDerWaalsContact O-CG 3.25Å; E67-R71 WeakPolarHBondContact O-CG 3.49Å; E67-R71 PolarHBondContact O-N 3.11Å; E67-R71 IonicContact OE1-CZ 3.73Å; E67-R71 IonicContact OE1-NE 2.71Å; E67-R71 PolarHBondContact OE1-NE 2.83Å; E67-R71 IonicContact OE1-NH2 3.06Å; Y68-R71 PolarHBondContact O-N 3.31Å; R71-R73 PolarHBondContact O-N 3.39Å
72Q83.9Confident81.5Confident108 Ų10844.7 Ų44.751%0.50522%0.223SC..THydrogen-bonded Turntrans-74.2-2.7173.9-62.9-57.1-25.800113Y68 W70 W74Y68-Q72 HydrophobicContact CD2-CG 4.18Å; Y68-Q72 HydrophobicContact CE1-CG 4.14Å; Y68-Q72 HydrophobicContact CE2-CG 3.74Å; Y68-Q72 WeakPolarHBondContact O-CG 3.49Å; Y68-Q72 PolarHBondContact O-N 3.28Å; W70-Q72 PolarHBondContact O-N 3.15Å; Q72-W74 HydrophobicContact CB-CE3 4.33Å; Q72-W74 PolarHBondContact O-N 3.42Å
73R82.1Confident81.2Confident207 Ų20745 Ų4578%0.78122%0.224SC*.THydrogen-bonded Turntrans51.239.9-174.2-57.9-177.1177.5179.2-0.5111.5L69 W70 R71 T75L69-R73 PolarHBondContact O-N 3.45Å; W70-R73 PolarHBondContact O-N 2.95Å; R71-R73 PolarHBondContact O-N 3.39Å; R73-T75 WeakPolarHBondContact O-CG2 3.44Å; R73-T75 PolarHBondContact O-N 3.04Å; R73-T75 VanDerWaalsContact O-N 3.13Å
74W75.6Confident81Confident34 Ų3445 Ų4513%0.12922%0.224CC..  trans-65.5116.6-176-155.7-85.3000109.8L69 Q72 F78 G79 A81 H146L69-W74 HydrophobicContact CB-CB 4.47Å; L69-W74 HydrophobicContact CD2-CB 4.33Å; L69-W74 HydrophobicContact CD2-CG 4.4Å; L69-W74 PolarHBondContact O-N 2.92Å; Q72-W74 HydrophobicContact CB-CE3 4.33Å; Q72-W74 PolarHBondContact O-N 3.42Å; W74-F78 HydrophobicContact CD2-CB 3.76Å; W74-F78 HydrophobicContact CD2-CG 4.38Å; W74-F78 HydrophobicContact CE3-CB 4.31Å; W74-F78 HydrophobicContact CG-CB 4.26Å; W74-F78 HydrophobicContact CH2-CB 4.14Å; W74-F78 HydrophobicContact CZ2-CB 3.54Å; W74-F78 WeakPolarHBondContact CZ2-O 3.3Å; W74-F78 HydrophobicContact CZ3-CB 4.47Å; W74-G79 PolarHBondContact NE1-O 3.45Å; W74-A81 HydrophobicContact CD2-CB 3.74Å; W74-A81 VanDerWaalsContact CE2-CB 3.46Å; W74-A81 HydrophobicContact CE3-CB 4.34Å; W74-A81 HydrophobicContact CG-CB 4Å; W74-A81 HydrophobicContact CH2-CB 4.4Å; W74-A81 HydrophobicContact CZ2-CB 3.81Å; W74-H146 HydrophobicContact CH2-CB 4.35Å; W74-H146 HydrophobicContact CZ2-CB 4.49Å
75T66.7Low80.7Confident71 Ų7145 Ų4544%0.43622%0.224SC..  trans-108170.6175.568.20000110.6R73 G77 F78R73-T75 WeakPolarHBondContact O-CG2 3.44Å; R73-T75 PolarHBondContact O-N 3.04Å; R73-T75 VanDerWaalsContact O-N 3.13Å; T75-G77 PolarHBondContact O-N 2.95Å; T75-F78 PolarHBondContact O-N 3.18Å; T75-F78 VanDerWaalsContact O-N 3.15Å; T75-F78 VanDerWaalsContact OG1-CD2 3.3Å; T75-F78 WeakPolarHBondContact OG1-CD2 3.33Å; T75-F78 VanDerWaalsContact OG1-CE2 3.31Å; T75-F78 WeakPolarHBondContact OG1-CE2 3.3Å
76A62.5Low80.5Confident42 Ų4245.1 Ų45.135%0.34723%0.225SC..G310 helixtrans-58.9-16.5-178.400000114.8C130 F132A76-C130 WeakPolarHBondContact CA-O 3.4Å; A76-C130 HydrophobicContact CB-CB 4.22Å; A76-F132 HydrophobicContact CB-CD2 4.01Å
77G63.6Low79.9Confident75 Ų7545.3 Ų45.377%0.77323%0.226SC*.G310 helixtrans-78.9-14.9178.400000115.2T75T75-G77 PolarHBondContact O-N 2.95Å
78F66.1Low79.2Confident113 Ų11345.7 Ų45.750%0.49623%0.229SC..G310 helixtrans-90.7-2.6-175-68.4-84.5000114W74 T75W74-F78 HydrophobicContact CD2-CB 3.76Å; W74-F78 HydrophobicContact CD2-CG 4.38Å; W74-F78 HydrophobicContact CE3-CB 4.31Å; W74-F78 HydrophobicContact CG-CB 4.26Å; W74-F78 HydrophobicContact CH2-CB 4.14Å; W74-F78 HydrophobicContact CZ2-CB 3.54Å; W74-F78 WeakPolarHBondContact CZ2-O 3.3Å; W74-F78 HydrophobicContact CZ3-CB 4.47Å; T75-F78 PolarHBondContact O-N 3.18Å; T75-F78 VanDerWaalsContact O-N 3.15Å; T75-F78 VanDerWaalsContact OG1-CD2 3.3Å; T75-F78 WeakPolarHBondContact OG1-CD2 3.33Å; T75-F78 VanDerWaalsContact OG1-CE2 3.31Å; T75-F78 WeakPolarHBondContact OG1-CE2 3.3Å
79G72.2Confident78.7Confident13 Ų1346.1 Ų46.113%0.13423%0.23CC..  trans77.5-149.8-179.100000113W74 D143W74-G79 PolarHBondContact NE1-O 3.45Å; G79-D143 WeakPolarHBondContact CA-OD2 3.41Å
80L75.6Confident78.3Confident8 Ų846.2 Ų46.24%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-80.3123.7-175.2176.457000112.5A82 V83 I127 L128 L144 H146 S147L80-A82 WeakPolarHBondContact CD1-O 3.49Å; L80-V83 HydrophobicContact CD1-CG2 4.43Å; L80-V83 HydrophobicContact CD2-CG2 3.76Å; L80-V83 HydrophobicContact CG-CG2 4.28Å; L80-I127 HydrophobicContact CD1-CB 4.49Å; L80-I127 HydrophobicContact CD1-CG2 3.23Å; L80-I127 HydrophobicContact CD2-CD1 4.45Å; L80-I127 HydrophobicContact CD2-CG2 3.79Å; L80-I127 HydrophobicContact CG-CG2 4.11Å; L80-L128 WeakPolarHBondContact CD1-O 3.29Å; L80-L144 HydrophobicContact CD2-CD2 3.68Å; L80-H146 CarbonylContact O-C 3.53Å; L80-H146 VanDerWaalsContact O-C 3.28Å; L80-S147 WeakPolarHBondContact O-CA 3.41Å; L80-S147 PolarHBondContact O-N 2.89Å
81A81.1Confident78Confident1 Ų141.3 Ų41.31%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-102.1-39.5-179.400000114.5L69 W74 N148 C149L69-A81 HydrophobicContact CD2-CB 3.09Å; W74-A81 HydrophobicContact CD2-CB 3.74Å; W74-A81 VanDerWaalsContact CE2-CB 3.46Å; W74-A81 HydrophobicContact CE3-CB 4.34Å; W74-A81 HydrophobicContact CG-CB 4Å; W74-A81 HydrophobicContact CH2-CB 4.4Å; W74-A81 HydrophobicContact CZ2-CB 3.81Å; A81-N148 PolarHBondContact O-N 3.01Å; A81-C149 PolarHBondContact O-N 3.29Å
82A84.9Confident77.8Confident0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-138.2137.5-172.300000112.5V65 L80 L128 C149V65-A82 HydrophobicContact CG1-CB 3.7Å; L80-A82 WeakPolarHBondContact CD1-O 3.49Å; A82-L128 HydrophobicContact CB-CB 3.97Å; A82-L128 PolarHBondContact N-O 3.08Å; A82-L128 CarbonylContact O-C 3.57Å; A82-L128 VanDerWaalsContact O-C 3.27Å; A82-L128 VanDerWaalsContact O-CA 3.3Å; A82-L128 WeakPolarHBondContact O-CA 3.46Å; A82-L128 WeakPolarHBondContact O-CB 3.43Å; A82-L128 PolarHBondContact O-N 3.35Å; A82-C149 CarbonylContact C-O 3.53Å; A82-C149 VanDerWaalsContact CA-O 3.23Å; A82-C149 WeakPolarHBondContact CA-O 3.3Å; A82-C149 HydrophobicContact CB-CB 3.96Å
83V86.1Confident77.7Confident5 Ų532.5 Ų32.53%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-118.4128.5176.5179.20000109.1L80 I85 L144 C149 L150 V151L80-V83 HydrophobicContact CD1-CG2 4.43Å; L80-V83 HydrophobicContact CD2-CG2 3.76Å; L80-V83 HydrophobicContact CG-CG2 4.28Å; V83-I85 HydrophobicContact CG1-CG1 4.02Å; V83-L144 HydrophobicContact CG2-CD2 4.49Å; V83-C149 PolarHBondContact N-O 2.99Å; V83-L150 HydrophobicContact CB-CD1 4.17Å; V83-L150 HydrophobicContact CG1-CD1 4.25Å; V83-L150 CarbonylContact O-C 3.4Å; V83-L150 WeakPolarHBondContact O-CA 3.15Å; V83-V151 PolarHBondContact O-N 3.42Å
84V88.1Confident77.8Confident0 Ų024.1 Ų24.10%015%0.146CC..EExtended strand (participates in β ladder)trans-117.1114.3175.3-176.60000108.9F61 T95 M126 L128 V151F61-V84 HydrophobicContact CE2-CG1 4.04Å; F61-V84 HydrophobicContact CZ-CG1 4.46Å; V84-T95 HydrophobicContact CG1-CG2 4.3Å; V84-M126 CarbonylContact C-O 3.57Å; V84-M126 HydrophobicContact CB-CB 4.28Å; V84-M126 HydrophobicContact CB-CE 3.47Å; V84-M126 VanDerWaalsContact CB-CE 3.47Å; V84-M126 HydrophobicContact CG1-CE 3.65Å; V84-M126 HydrophobicContact CG2-CE 3.75Å; V84-M126 PolarHBondContact N-O 3.31Å; V84-M126 CarbonylContact O-C 3.54Å; V84-M126 WeakPolarHBondContact O-CA 3.5Å; V84-M126 WeakPolarHBondContact O-CB 3.43Å; V84-M126 PolarHBondContact O-N 3.45Å; V84-L128 HydrophobicContact CG2-CD1 4.05Å; V84-V151 WeakPolarHBondContact CA-O 3.17Å; V84-V151 HydrophobicContact CB-CB 4.28Å; V84-V151 HydrophobicContact CG1-CB 4.08Å; V84-V151 HydrophobicContact CG1-CG1 4.17Å; V84-V151 HydrophobicContact CG2-CB 4.01Å; V84-V151 HydrophobicContact CG2-CG2 4.14Å
85I86.8Confident78.4Confident4 Ų422.5 Ų22.52%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-95.7129.6-179.8-50.8-167000108.6V83 F125 L150 V151 L152 D153 I158 L167 I170V83-I85 HydrophobicContact CG1-CG1 4.02Å; I85-F125 HydrophobicContact CB-CD1 3.92Å; I85-F125 HydrophobicContact CB-CE1 4.3Å; I85-F125 HydrophobicContact CD1-CD1 3.76Å; I85-F125 HydrophobicContact CD1-CE1 3.73Å; I85-F125 HydrophobicContact CG1-CD1 3.56Å; I85-F125 HydrophobicContact CG1-CE1 4.01Å; I85-F125 HydrophobicContact CG2-CD1 3.56Å; I85-F125 HydrophobicContact CG2-CE1 3.56Å; I85-L150 HydrophobicContact CD1-CD1 3.95Å; I85-L150 HydrophobicContact CG1-CD1 4.11Å; I85-V151 PolarHBondContact N-O 3.29Å; I85-L152 HydrophobicContact CB-CD2 3.76Å; I85-L152 HydrophobicContact CD1-CD2 3.68Å; I85-L152 HydrophobicContact CG1-CD2 3.88Å; I85-L152 HydrophobicContact CG2-CD2 4.39Å; I85-D153 PolarHBondContact O-N 3.1Å; I85-I158 HydrophobicContact CB-CD1 4.49Å; I85-I158 HydrophobicContact CG2-CD1 3.77Å; I85-L167 HydrophobicContact CD1-CD2 3.79Å; I85-L167 HydrophobicContact CG2-CD2 4.08Å; I85-I170 HydrophobicContact CD1-CD1 3.86Å; I85-I170 HydrophobicContact CD1-CG2 4.34Å
86S85.1Confident79.3Confident2 Ų221.7 Ų21.71%0.01413%0.129CC..  trans-132.3143.2176.8-57.10000110.2T88S86-T88 VanDerWaalsContact C-N 3.33Å; S86-T88 PolarHBondContact O-N 3.32Å
87P79.1Confident80.5Confident4 Ų422.9 Ų22.93%0.02613%0.128CC..SBendtrans-68.4-24.8-174.525.7-38.8000115L91 D153 E154 R157 I158 L161P87-L91 HydrophobicContact CG-CD2 4Å; P87-D153 WeakPolarHBondContact CD-O 3.28Å; P87-E154 HydrophobicContact CG-CB 3.85Å; P87-R157 HydrophobicContact CB-CB 4.07Å; P87-R157 HydrophobicContact CB-CG 3.63Å; P87-R157 HydrophobicContact CG-CB 4Å; P87-R157 HydrophobicContact CG-CG 3.82Å; P87-I158 HydrophobicContact CB-CG1 3.91Å; P87-I158 HydrophobicContact CG-CG1 4.39Å; P87-L161 HydrophobicContact CB-CD1 3.95Å
88T76.6Confident81.7Confident10 Ų1020 Ų206%0.06110%0.096CC..SBendtrans-131.1152.4-174.167.30000111.8S86 E90 L91 A92 I305S86-T88 VanDerWaalsContact C-N 3.33Å; S86-T88 PolarHBondContact O-N 3.32Å; T88-E90 VanDerWaalsContact C-N 3.28Å; T88-E90 PolarHBondContact O-N 3.36Å; T88-L91 PolarHBondContact O-N 2.88Å; T88-L91 VanDerWaalsContact OG1-CB 3.25Å; T88-L91 WeakPolarHBondContact OG1-CB 3.5Å; T88-L91 PolarHBondContact OG1-N 2.53Å; T88-A92 PolarHBondContact O-N 2.84Å; T88-I305 HydrophobicContact CG2-CG1 4.41Å
89R75.8Confident82.9Confident52 Ų5214.8 Ų14.820%0.1967%0.072CC..Hα-helixtrans-60.3-40-178.8-52.3-171.1173.2177.73.7111.9A92 L93 I114 G115 Y124 L282R89-A92 PolarHBondContact O-N 3.2Å; R89-L93 PolarHBondContact O-N 3.07Å; R89-I114 HydrophobicContact CB-CD1 4.45Å; R89-I114 HydrophobicContact CB-CG2 3.68Å; R89-I114 HydrophobicContact CG-CG2 3.43Å; R89-I114 VanDerWaalsContact CG-CG2 3.43Å; R89-G115 PolarHBondContact NE-O 2.87Å; R89-G115 VanDerWaalsContact NE-O 3.08Å; R89-G115 PolarHBondContact NH2-O 2.88Å; R89-Y124 HydrophobicContact CG-CD1 3.77Å; R89-Y124 HydrophobicContact CG-CE1 3.7Å; R89-Y124 HydrophobicContact CG-CG 4.29Å; R89-Y124 PolarHBondContact NH2-OH 3.02Å; R89-L282 HydrophobicContact CB-CD1 3.79Å; R89-L282 HydrophobicContact CG-CD1 4.44Å
90E77.3Confident83.6Confident5 Ų519.5 Ų19.52%0.0239%0.086CC..Hα-helixtrans-75.6-36.3-175.9-59.664.8-151.600111.5T88 L93 Q94 R285 L310T88-E90 VanDerWaalsContact C-N 3.28Å; T88-E90 PolarHBondContact O-N 3.36Å; E90-L93 PolarHBondContact O-N 3.03Å; E90-Q94 WeakPolarHBondContact O-CB 3.36Å; E90-Q94 PolarHBondContact O-N 3.4Å; E90-R285 IonicContact OE1-CZ 2.71Å; E90-R285 IonicContact OE1-NE 3.71Å; E90-R285 PolarHBondContact OE1-NE 3.05Å; E90-R285 IonicContact OE1-NH1 3.03Å; E90-R285 PolarHBondContact OE1-NH1 3.14Å; E90-R285 IonicContact OE1-NH2 3.79Å; E90-R285 PolarHBondContact OE1-NH2 3.5Å; E90-R285 IonicContact OE2-CZ 2.89Å; E90-R285 IonicContact OE2-NH1 3.94Å; E90-R285 IonicContact OE2-NH2 3.76Å; E90-R285 PolarHBondContact OE2-NH2 3.3Å; E90-L310 HydrophobicContact CB-CD1 4.06Å; E90-L310 HydrophobicContact CB-CD2 3.24Å; E90-L310 HydrophobicContact CB-CG 4.08Å; E90-L310 HydrophobicContact CG-CD1 4.35Å; E90-L310 HydrophobicContact CG-CD2 4.25Å
91L81.6Confident84.3Confident3 Ų324.2 Ų24.22%0.01611%0.107CC..Hα-helixtrans-65.7-42.9172.617957.4000110.6P87 T88 L93 Q94 T95 E154P87-L91 HydrophobicContact CG-CD2 4Å; T88-L91 PolarHBondContact O-N 2.88Å; T88-L91 VanDerWaalsContact OG1-CB 3.25Å; T88-L91 WeakPolarHBondContact OG1-CB 3.5Å; T88-L91 PolarHBondContact OG1-N 2.53Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.41Å; L91-Q94 PolarHBondContact O-N 2.87Å; L91-T95 PolarHBondContact O-N 3.28Å; L91-T95 PolarHBondContact O-OG1 2.85Å; L91-T95 VanDerWaalsContact O-OG1 3.07Å; L91-E154 HydrophobicContact CD2-CB 4.32Å; L91-E154 HydrophobicContact CD2-CG 3.83Å
92A82.9Confident84.7Confident0 Ų024.2 Ų24.20%011%0.106CC..Hα-helixtrans-58.4-43.4175.100000111.8T88 R89 T95 Y96 L112T88-A92 PolarHBondContact O-N 2.84Å; R89-A92 PolarHBondContact O-N 3.2Å; A92-T95 PolarHBondContact O-N 2.88Å; A92-Y96 VanDerWaalsContact O-CB 3.31Å; A92-Y96 WeakPolarHBondContact O-CB 3.47Å; A92-Y96 PolarHBondContact O-N 2.91Å; A92-L112 HydrophobicContact CB-CD1 3.78Å
93L82.3Confident84.8Confident33 Ų3324.5 Ų24.517%0.17311%0.109CC..Hα-helixtrans-62.5-44.7174.4-179.764.9000112.1R89 E90 L91 T95 Y96 E97 L112 V286R89-L93 PolarHBondContact O-N 3.07Å; E90-L93 PolarHBondContact O-N 3.03Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.41Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.16Å; L93-Y96 HydrophobicContact CD1-CD1 4.33Å; L93-Y96 WeakPolarHBondContact O-CB 3.3Å; L93-Y96 PolarHBondContact O-N 3.26Å; L93-E97 WeakPolarHBondContact O-CG 3.43Å; L93-E97 PolarHBondContact O-N 3.09Å; L93-L112 HydrophobicContact CB-CD2 4.09Å; L93-L112 HydrophobicContact CD1-CD2 3.48Å; L93-L112 VanDerWaalsContact CD1-CD2 3.48Å; L93-L112 HydrophobicContact CG-CD2 4.4Å; L93-V286 HydrophobicContact CD2-CB 4.45Å; L93-V286 HydrophobicContact CD2-CG1 3.78Å; L93-V286 HydrophobicContact CD2-CG2 3.76Å
94Q84.1Confident84.8Confident31 Ų3126.8 Ų26.815%0.14513%0.125CC..Hα-helixtrans-61.4-42.4177.9-175.5-176.4-35.900111.8E90 L91 T98 D311E90-Q94 WeakPolarHBondContact O-CB 3.36Å; E90-Q94 PolarHBondContact O-N 3.4Å; L91-Q94 PolarHBondContact O-N 2.87Å; Q94-T98 WeakPolarHBondContact O-CB 3.33Å; Q94-T98 PolarHBondContact O-N 3.21Å; Q94-T98 PolarHBondContact O-OG1 3.37Å; Q94-D311 VanDerWaalsContact OE1-N 3.08Å
95T87.4Confident84.8Confident0 Ų030.7 Ų30.70%014%0.142CC..Hα-helixtrans-67.1-41.6176.4-55.90000110.9T58 F61 V84 L91 A92 L93 E97 T98 I99 M126T58-T95 HydrophobicContact CG2-CG2 3.95Å; F61-T95 HydrophobicContact CE2-CG2 3.48Å; F61-T95 VanDerWaalsContact CE2-CG2 3.48Å; F61-T95 HydrophobicContact CZ-CG2 3.59Å; V84-T95 HydrophobicContact CG1-CG2 4.3Å; L91-T95 PolarHBondContact O-N 3.28Å; L91-T95 PolarHBondContact O-OG1 2.85Å; L91-T95 VanDerWaalsContact O-OG1 3.07Å; A92-T95 PolarHBondContact O-N 2.88Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-T95 PolarHBondContact O-N 3.16Å; T95-E97 PolarHBondContact O-N 3.44Å; T95-T98 WeakPolarHBondContact O-CB 3.43Å; T95-T98 PolarHBondContact O-N 3.08Å; T95-I99 HydrophobicContact CG2-CD1 4.13Å; T95-I99 WeakPolarHBondContact O-CB 3.45Å; T95-I99 WeakPolarHBondContact O-CG1 3.47Å; T95-I99 PolarHBondContact O-N 3.19Å; T95-M126 HydrophobicContact CG2-CE 3.37Å; T95-M126 HydrophobicContact CG2-SD 4.48Å
96Y87Confident84.8Confident54 Ų5431.4 Ų31.421%0.21215%0.145CC..Hα-helixtrans-57.1-49.7174.5172.7-108.3000112.2A92 L93 T98 I99 R100 A110 L112 M126A92-Y96 VanDerWaalsContact O-CB 3.31Å; A92-Y96 WeakPolarHBondContact O-CB 3.47Å; A92-Y96 PolarHBondContact O-N 2.91Å; L93-Y96 HydrophobicContact CD1-CD1 4.33Å; L93-Y96 WeakPolarHBondContact O-CB 3.3Å; L93-Y96 PolarHBondContact O-N 3.26Å; Y96-T98 VanDerWaalsContact C-N 3.31Å; Y96-T98 PolarHBondContact O-N 3.24Å; Y96-I99 PolarHBondContact O-N 2.92Å; Y96-R100 WeakPolarHBondContact O-CB 3.49Å; Y96-R100 PolarHBondContact O-N 2.92Å; Y96-A110 HydrophobicContact CD2-CB 4.04Å; Y96-A110 HydrophobicContact CE2-CB 3.77Å; Y96-A110 WeakPolarHBondContact CE2-O 3.49Å; Y96-L112 HydrophobicContact CD1-CB 4.37Å; Y96-L112 HydrophobicContact CD1-CD2 4.06Å; Y96-L112 HydrophobicContact CD2-CB 4.08Å; Y96-L112 HydrophobicContact CE2-CB 4.46Å; Y96-L112 HydrophobicContact CG-CB 4.04Å; Y96-L112 HydrophobicContact CG-CD2 4.18Å; Y96-M126 WeakPolarHBondContact CA-SD 3.4Å; Y96-M126 WeakPolarHBondContact CB-SD 3.32Å; Y96-M126 HydrophobicContact CD2-SD 4.19Å; Y96-M126 HydrophobicContact CG-SD 4.34Å; Y96-M126 PolarHBondContact N-SD 3.45Å
97E86.8Confident84.5Confident68 Ų6838.7 Ų38.732%0.31818%0.179SC..Hα-helixtrans-61.9-39.7176.5-74-176.6-170.800112.3L93 T95 I99 R100 K101L93-E97 WeakPolarHBondContact O-CG 3.43Å; L93-E97 PolarHBondContact O-N 3.09Å; T95-E97 PolarHBondContact O-N 3.44Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-R100 PolarHBondContact O-N 3.43Å; E97-K101 WeakPolarHBondContact O-CB 3.38Å; E97-K101 VanDerWaalsContact O-CG 3.24Å; E97-K101 WeakPolarHBondContact O-CG 3.47Å; E97-K101 PolarHBondContact O-N 2.89Å; E97-K101 IonicContact OE2-NZ 2.93Å
98T89.4Confident84.4Confident15 Ų1539.8 Ų39.89%0.09218%0.183CC..Hα-helixtrans-62.2-46178.3-59.60000110.6T58 L59 Q94 T95 Y96 K101 V102T58-T98 HydrophobicContact CG2-CG2 3.93Å; L59-T98 HydrophobicContact CD2-CG2 3.79Å; L59-T98 HydrophobicContact CG-CG2 4.4Å; Q94-T98 WeakPolarHBondContact O-CB 3.33Å; Q94-T98 PolarHBondContact O-N 3.21Å; Q94-T98 PolarHBondContact O-OG1 3.37Å; T95-T98 WeakPolarHBondContact O-CB 3.43Å; T95-T98 PolarHBondContact O-N 3.08Å; Y96-T98 VanDerWaalsContact C-N 3.31Å; Y96-T98 PolarHBondContact O-N 3.24Å; T98-K101 PolarHBondContact O-N 3.01Å; T98-V102 WeakPolarHBondContact O-CG2 3.37Å; T98-V102 PolarHBondContact O-N 3.11Å
99I89.6Confident84.3Confident2 Ų241.1 Ų41.11%0.0119%0.193CC..Hα-helixtrans-63.3-42.6176.4-75.5176000111.1A62 I66 T95 Y96 E97 K101 G103 A110 M126 L128A62-I99 HydrophobicContact CB-CD1 4.41Å; A62-I99 HydrophobicContact CB-CG1 3.79Å; I66-I99 HydrophobicContact CD1-CG2 4.45Å; T95-I99 HydrophobicContact CG2-CD1 4.13Å; T95-I99 WeakPolarHBondContact O-CB 3.45Å; T95-I99 WeakPolarHBondContact O-CG1 3.47Å; T95-I99 PolarHBondContact O-N 3.19Å; Y96-I99 PolarHBondContact O-N 2.92Å; E97-I99 VanDerWaalsContact C-N 3.35Å; I99-K101 VanDerWaalsContact C-N 3.35Å; I99-K101 PolarHBondContact O-N 3Å; I99-G103 VanDerWaalsContact O-CA 3.26Å; I99-G103 WeakPolarHBondContact O-CA 3.31Å; I99-G103 PolarHBondContact O-N 2.91Å; I99-A110 HydrophobicContact CG2-CB 4.3Å; I99-M126 HydrophobicContact CD1-CE 3.59Å; I99-M126 HydrophobicContact CD1-SD 4.39Å; I99-L128 HydrophobicContact CD1-CD1 3.3Å; I99-L128 HydrophobicContact CD1-CD2 3.98Å; I99-L128 HydrophobicContact CD1-CG 4.23Å; I99-L128 HydrophobicContact CG2-CD1 4.17Å; I99-L128 HydrophobicContact CG2-CD2 3.67Å; I99-L128 HydrophobicContact CG2-CG 4.23Å
100R88.4Confident84.4Confident113 Ų11339.7 Ų39.743%0.42619%0.192SC..Hα-helixtrans-63.3-39.8177-173.4179.3172.8-176.70.3112.1Y96 E97 C104Y96-R100 WeakPolarHBondContact O-CB 3.49Å; Y96-R100 PolarHBondContact O-N 2.92Å; E97-R100 PolarHBondContact O-N 3.43Å; R100-C104 WeakPolarHBondContact O-CA 3.47Å; R100-C104 WeakPolarHBondContact O-CB 3.41Å; R100-C104 PolarHBondContact O-N 2.96Å; R100-C104 VanDerWaalsContact O-N 3.08Å
101K89Confident84.4Confident107 Ų10741.2 Ų41.247%0.46521%0.206SC..Hα-helixtrans-65.3-48.2178.5-74.6168.6-173.2166.20111.8E97 T98 I99 C104E97-K101 WeakPolarHBondContact O-CB 3.38Å; E97-K101 VanDerWaalsContact O-CG 3.24Å; E97-K101 WeakPolarHBondContact O-CG 3.47Å; E97-K101 PolarHBondContact O-N 2.89Å; E97-K101 IonicContact OE2-NZ 2.93Å; T98-K101 PolarHBondContact O-N 3.01Å; I99-K101 VanDerWaalsContact C-N 3.35Å; I99-K101 PolarHBondContact O-N 3Å; K101-C104 PolarHBondContact O-SG 3Å
102V89.8Confident84.2Confident0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-73.5-36.6179.1178.60000111.5T18 L22 Y27 L59 I66 T98 C104T18-V102 HydrophobicContact CG2-CG1 4.12Å; L22-V102 HydrophobicContact CD2-CG1 3.85Å; L22-V102 HydrophobicContact CD2-CG2 3.86Å; L22-V102 HydrophobicContact CG-CG1 4.05Å; Y27-V102 HydrophobicContact CE2-CG2 4.33Å; L59-V102 HydrophobicContact CD2-CG2 3.69Å; I66-V102 HydrophobicContact CD1-CB 3.86Å; I66-V102 HydrophobicContact CD1-CG1 3.73Å; T98-V102 WeakPolarHBondContact O-CG2 3.37Å; T98-V102 PolarHBondContact O-N 3.11Å; V102-C104 VanDerWaalsContact C-N 3.34Å; V102-C104 PolarHBondContact O-N 2.96Å
103G86.7Confident83.8Confident6 Ų643.9 Ų43.96%0.06222%0.22CC..Hα-helixtrans-80.6-3.6-177.600000115.3I99 F105 H106I99-G103 VanDerWaalsContact O-CA 3.26Å; I99-G103 WeakPolarHBondContact O-CA 3.31Å; I99-G103 PolarHBondContact O-N 2.91Å; G103-F105 PolarHBondContact O-N 3.2Å; G103-H106 WeakPolarHBondContact O-CB 3.25Å; G103-H106 PolarHBondContact O-N 3.49Å
104C86.9Confident83.1Confident54 Ų5443.6 Ų43.637%0.36522%0.218SC..THydrogen-bonded Turntrans-61.4-16.2-166.4630000116.4R100 K101 V102R100-C104 WeakPolarHBondContact O-CA 3.47Å; R100-C104 WeakPolarHBondContact O-CB 3.41Å; R100-C104 PolarHBondContact O-N 2.96Å; R100-C104 VanDerWaalsContact O-N 3.08Å; K101-C104 PolarHBondContact O-SG 3Å; V102-C104 VanDerWaalsContact C-N 3.34Å; V102-C104 PolarHBondContact O-N 2.96Å
105F88.1Confident82.2Confident82 Ų8242.2 Ų42.236%0.3621%0.212SC..THydrogen-bonded Turntrans-982.2176.8-65.1-74.1000113.6K17 N20 G103K17-F105 HydrophobicContact CB-CB 4.05Å; K17-F105 WeakPolarHBondContact CD-O 3.28Å; K17-F105 WeakPolarHBondContact CE-O 3.18Å; K17-F105 HydrophobicContact CG-CB 4.27Å; N20-F105 HydrophobicContact CB-CD2 3.71Å; N20-F105 HydrophobicContact CB-CE2 3.67Å; N20-F105 HydrophobicContact CB-CG 4.37Å; N20-F105 HydrophobicContact CB-CZ 4.29Å; G103-F105 PolarHBondContact O-N 3.2Å
106H85.9Confident80.7Confident18 Ų1845.1 Ų45.18%0.08324%0.243CC..SBendtrans-98.8161.3178.1-65.4-84.9000111.4S15 K17 T18 I66 W70 G103 F108S15-H106 PolarHBondContact OG-CE1 2.76Å; K17-H106 VanDerWaalsContact CB-CE1 3.45Å; K17-H106 WeakPolarHBondContact CB-CE1 3.34Å; T18-H106 PolarHBondContact N-NE2 3.36Å; T18-H106 PolarHBondContact OG1-CE1 3.17Å; T18-H106 PolarHBondContact OG1-NE2 3.48Å; I66-H106 WeakPolarHBondContact CG2-NE2 3.25Å; W70-H106 AromaticContact CD1-CE1 3.58Å; W70-H106 AromaticContact CD1-ND1 3.31Å; W70-H106 VanDerWaalsContact CD1-ND1 3.31Å; W70-H106 AromaticContact CG-CE1 3.63Å; W70-H106 AromaticContact CG-ND1 3.73Å; G103-H106 WeakPolarHBondContact O-CB 3.25Å; G103-H106 PolarHBondContact O-N 3.49Å; H106-F108 HydrophobicContact CB-CD1 3.53Å; H106-F108 HydrophobicContact CB-CD2 4.46Å; H106-F108 HydrophobicContact CB-CE1 3.16Å; H106-F108 HydrophobicContact CB-CE2 4.16Å; H106-F108 HydrophobicContact CB-CG 4.15Å; H106-F108 HydrophobicContact CB-CZ 3.48Å; H106-F108 VanDerWaalsContact CB-CZ 3.48Å; H106-F108 AromaticContact CD2-CE1 3.8Å; H106-F108 AromaticContact CD2-CZ 3.76Å; H106-F108 AromaticContact CG-CE1 3.31Å; H106-F108 AromaticContact CG-CZ 3.67Å; H106-F108 AromaticContact ND1-CE1 3.75Å
107E79.5Confident79.1Confident156 Ų15646.9 Ų46.973%0.72926%0.259SS*.SBendtrans-94.3-7.6-177-72.9152.7-13600113K17K17-E107 IonicContact NZ-OE1 3.01Å; K17-E107 PolarHBondContact NZ-OE1 3.18Å
108F77.6Confident76.9Confident26 Ų2650.6 Ų50.611%0.11429%0.286CS..  trans-71.8155.9172.757-110.1000110.8I66 L69 H106 C130I66-F108 HydrophobicContact CB-CZ 4.01Å; I66-F108 HydrophobicContact CG1-CE2 4.27Å; I66-F108 HydrophobicContact CG1-CZ 3.8Å; I66-F108 HydrophobicContact CG2-CE1 3.98Å; I66-F108 HydrophobicContact CG2-CZ 3.6Å; L69-F108 HydrophobicContact CB-CD1 4.01Å; L69-F108 HydrophobicContact CB-CE1 4.33Å; L69-F108 HydrophobicContact CD1-CD1 4.37Å; L69-F108 HydrophobicContact CD1-CD2 4.42Å; L69-F108 HydrophobicContact CD1-CG 4.27Å; H106-F108 HydrophobicContact CB-CD1 3.53Å; H106-F108 HydrophobicContact CB-CD2 4.46Å; H106-F108 HydrophobicContact CB-CE1 3.16Å; H106-F108 HydrophobicContact CB-CE2 4.16Å; H106-F108 HydrophobicContact CB-CG 4.15Å; H106-F108 HydrophobicContact CB-CZ 3.48Å; H106-F108 VanDerWaalsContact CB-CZ 3.48Å; H106-F108 AromaticContact CD2-CE1 3.8Å; H106-F108 AromaticContact CD2-CZ 3.76Å; H106-F108 AromaticContact CG-CE1 3.31Å; H106-F108 AromaticContact CG-CZ 3.67Å; H106-F108 AromaticContact ND1-CE1 3.75Å; F108-C130 WeakPolarHBondContact CA-SG 3.5Å; F108-C130 WeakPolarHBondContact CB-SG 3.47Å
109S74.2Confident74.8Confident38 Ų3853.4 Ų53.427%0.26632%0.318SS..  trans-115166.6170.872.10000111.2G129 C130 R131S109-G129 CarbonylContact C-O 3.53Å; S109-G129 CarbonylContact O-C 3.34Å; S109-G129 VanDerWaalsContact O-O 3.05Å; S109-G129 PolarHBondContact OG-O 3.27Å; S109-C130 WeakPolarHBondContact OG-CA 3.44Å; S109-R131 WeakPolarHBondContact CB-O 3.42Å; S109-R131 VanDerWaalsContact OG-C 3.3Å; S109-R131 PolarHBondContact OG-N 3.27Å; S109-R131 PolarHBondContact OG-O 3.07Å
110A78.5Confident72.7Confident22 Ų2257.4 Ų57.418%0.18234%0.335CS..  trans-128.9142.6177.400000107.9Y96 I99 L128Y96-A110 HydrophobicContact CD2-CB 4.04Å; Y96-A110 HydrophobicContact CE2-CB 3.77Å; Y96-A110 WeakPolarHBondContact CE2-O 3.49Å; I99-A110 HydrophobicContact CG2-CB 4.3Å; A110-L128 HydrophobicContact CB-CD1 4.4Å; A110-L128 HydrophobicContact CB-CG 3.97Å
111A76Confident70.5Confident37 Ų3756.1 Ų56.131%0.30634%0.341SS..EExtended strand (participates in β ladder)trans-120.2141.517500000110I127A111-I127 CarbonylContact C-O 3.53Å; A111-I127 WeakPolarHBondContact CA-O 3.32Å; A111-I127 PolarHBondContact N-O 3.12Å; A111-I127 CarbonylContact O-C 3.28Å; A111-I127 PolarHBondContact O-N 3.1Å
112L78Confident68.6Low39 Ų3958.3 Ų58.320%0.20435%0.347CS..EExtended strand (participates in β ladder)trans-107.2115.2178.6177.157.9000108.9A92 L93 Y96 I114 M126A92-L112 HydrophobicContact CB-CD1 3.78Å; L93-L112 HydrophobicContact CB-CD2 4.09Å; L93-L112 HydrophobicContact CD1-CD2 3.48Å; L93-L112 VanDerWaalsContact CD1-CD2 3.48Å; L93-L112 HydrophobicContact CG-CD2 4.4Å; Y96-L112 HydrophobicContact CD1-CB 4.37Å; Y96-L112 HydrophobicContact CD1-CD2 4.06Å; Y96-L112 HydrophobicContact CD2-CB 4.08Å; Y96-L112 HydrophobicContact CE2-CB 4.46Å; Y96-L112 HydrophobicContact CG-CB 4.04Å; Y96-L112 HydrophobicContact CG-CD2 4.18Å; L112-I114 HydrophobicContact CD1-CD1 3.9Å; L112-I114 HydrophobicContact CD1-CG1 3.81Å; L112-I114 HydrophobicContact CD2-CD1 3.63Å; L112-I114 HydrophobicContact CD2-CG1 4.36Å; L112-I114 HydrophobicContact CG-CD1 3.63Å; L112-I114 HydrophobicContact CG-CG1 3.78Å; L112-M126 HydrophobicContact CD1-CB 4.29Å; L112-M126 HydrophobicContact CD1-CG 4.32Å
113I74.3Confident66.3Low21 Ų2159.9 Ų59.911%0.10836%0.355CS..EExtended strand (participates in β ladder)trans-109.3111.7179.3-51.1-173.5000109.6F125 I127 L140I113-F125 CarbonylContact C-O 3.54Å; I113-F125 WeakPolarHBondContact CA-O 3.37Å; I113-F125 VanDerWaalsContact CB-O 3.24Å; I113-F125 WeakPolarHBondContact CB-O 3.41Å; I113-F125 PolarHBondContact N-O 3.36Å; I113-F125 CarbonylContact O-C 3.58Å; I113-F125 PolarHBondContact O-N 3.33Å; I113-I127 HydrophobicContact CD1-CB 3.96Å; I113-I127 HydrophobicContact CD1-CD1 3.62Å; I113-I127 HydrophobicContact CD1-CG1 3.79Å; I113-I127 HydrophobicContact CG1-CB 4.29Å; I113-I127 HydrophobicContact CG1-CG1 4.29Å; I113-L140 HydrophobicContact CD1-CD1 4.04Å; I113-L140 HydrophobicContact CD1-CD2 3.44Å; I113-L140 VanDerWaalsContact CD1-CD2 3.44Å; I113-L140 HydrophobicContact CD1-CG 4.35Å
114I68.2Low64.7Low26 Ų2661.8 Ų61.813%0.13336%0.361CS..  trans-120.1118.1-176.8-62.4175000108.1R89 L112 Y124 L282R89-I114 HydrophobicContact CB-CD1 4.45Å; R89-I114 HydrophobicContact CB-CG2 3.68Å; R89-I114 HydrophobicContact CG-CG2 3.43Å; R89-I114 VanDerWaalsContact CG-CG2 3.43Å; L112-I114 HydrophobicContact CD1-CD1 3.9Å; L112-I114 HydrophobicContact CD1-CG1 3.81Å; L112-I114 HydrophobicContact CD2-CD1 3.63Å; L112-I114 HydrophobicContact CD2-CG1 4.36Å; L112-I114 HydrophobicContact CG-CD1 3.63Å; L112-I114 HydrophobicContact CG-CG1 3.78Å; I114-Y124 HydrophobicContact CG2-CD1 4.09Å; I114-Y124 HydrophobicContact CG2-CE1 4.47Å; I114-L282 HydrophobicContact CD1-CD2 4.29Å; I114-L282 HydrophobicContact CG2-CD2 3.89Å
115G64.3Low62.8Low2 Ų261 Ų612%0.02135%0.351CS..THydrogen-bonded Turntrans-56.4153.9171.600000112.6R89R89-G115 PolarHBondContact NE-O 2.87Å; R89-G115 VanDerWaalsContact NE-O 3.08Å; R89-G115 PolarHBondContact NH2-O 2.88Å
116G57.6Low60.9Low62 Ų6257.1 Ų57.164%0.63933%0.334SS*.THydrogen-bonded Turntrans106.7-3.8-17200000113.9
117T51.5Low59.1Low90 Ų9057 Ų5755%0.55233%0.334SS*.SBendtrans-89.4149.615749.40000109.2G119T117-G119 PolarHBondContact O-N 3.49Å
118V40.6Very low57.6Low147 Ų14749.6 Ų49.689%0.89130%0.299SS*.THydrogen-bonded Turntrans-50.8123-178.2-111.30000110.8
119G46Very low56.1Low73 Ų7348.9 Ų48.975%0.75330%0.299SS*.THydrogen-bonded Turntrans111.8-9.6170.900000117.7T117T117-G119 PolarHBondContact O-N 3.49Å
120F46.2Very low54.3Low86 Ų8647.3 Ų47.338%0.37729%0.288SS..  trans-121115.5179.8-77.3-84.8000113.6R122F120-R122 PolarHBondContact O-N 3.28Å
121P41.2Very low52.3Low86 Ų8652.3 Ų52.356%0.55830%0.302SS*.  trans-73.6114.6175.426.6-30.1000112.2L123P121-L123 VanDerWaalsContact C-N 3.26Å; P121-L123 PolarHBondContact O-N 3.42Å
122R50Low50Low153 Ų15358.9 Ų58.958%0.57732%0.324SS*.SBendtrans57.4-9.7146.6-64-179.5173.6166-4.4121.1F120 D480F120-R122 PolarHBondContact O-N 3.28Å; R122-D480 IonicContact CZ-OD2 2.84Å; R122-D480 IonicContact NH2-OD1 2.69Å; R122-D480 IonicContact NH2-OD2 2.75Å; R122-D480 PolarHBondContact NH2-OD2 2.9Å
123L42.1Very low47.8Very low34 Ų3460 Ų6018%0.17835%0.346CS..  trans-101.1153.2172.4-66137.3000112.7P121 F125 F163 Q166P121-L123 VanDerWaalsContact C-N 3.26Å; P121-L123 PolarHBondContact O-N 3.42Å; L123-F125 HydrophobicContact CB-CD2 4.35Å; L123-F125 HydrophobicContact CB-CE1 4.14Å; L123-F125 HydrophobicContact CB-CE2 3.38Å; L123-F125 HydrophobicContact CB-CZ 3.23Å; L123-F125 HydrophobicContact CD1-CE2 4.16Å; L123-F125 HydrophobicContact CD1-CZ 3.89Å; L123-F125 HydrophobicContact CD2-CE1 4.28Å; L123-F125 HydrophobicContact CD2-CZ 3.74Å; L123-F125 HydrophobicContact CG-CE2 4.27Å; L123-F125 HydrophobicContact CG-CZ 3.81Å; L123-F163 HydrophobicContact CD2-CB 4.09Å; L123-F163 HydrophobicContact CD2-CD1 3.99Å; L123-F163 HydrophobicContact CD2-CG 4.07Å; L123-Q166 HydrophobicContact CD1-CB 3.36Å; L123-Q166 HydrophobicContact CD1-CG 3.43Å; L123-Q166 VanDerWaalsContact CD1-CG 3.43Å; L123-Q166 HydrophobicContact CD2-CB 3.26Å; L123-Q166 HydrophobicContact CD2-CG 3.77Å; L123-Q166 HydrophobicContact CG-CB 3.68Å; L123-Q166 HydrophobicContact CG-CG 3.74Å
124Y51.1Low45.8Very low45 Ų4568 Ų6818%0.17638%0.383CS..  trans-122.6120.3-175.6-48.1-68.8000109R89 I114R89-Y124 HydrophobicContact CG-CD1 3.77Å; R89-Y124 HydrophobicContact CG-CE1 3.7Å; R89-Y124 HydrophobicContact CG-CG 4.29Å; R89-Y124 PolarHBondContact NH2-OH 3.02Å; I114-Y124 HydrophobicContact CG2-CD1 4.09Å; I114-Y124 HydrophobicContact CG2-CE1 4.47Å
125F47.5Very low44.3Very low38 Ų3871.2 Ų71.217%0.16740%0.404CS..EExtended strand (participates in β ladder)trans-133.3127.8179.6-51.3-62.1000109.1I85 I113 L123 I127 I170I85-F125 HydrophobicContact CB-CD1 3.92Å; I85-F125 HydrophobicContact CB-CE1 4.3Å; I85-F125 HydrophobicContact CD1-CD1 3.76Å; I85-F125 HydrophobicContact CD1-CE1 3.73Å; I85-F125 HydrophobicContact CG1-CD1 3.56Å; I85-F125 HydrophobicContact CG1-CE1 4.01Å; I85-F125 HydrophobicContact CG2-CD1 3.56Å; I85-F125 HydrophobicContact CG2-CE1 3.56Å; I113-F125 CarbonylContact C-O 3.54Å; I113-F125 WeakPolarHBondContact CA-O 3.37Å; I113-F125 VanDerWaalsContact CB-O 3.24Å; I113-F125 WeakPolarHBondContact CB-O 3.41Å; I113-F125 PolarHBondContact N-O 3.36Å; I113-F125 CarbonylContact O-C 3.58Å; I113-F125 PolarHBondContact O-N 3.33Å; L123-F125 HydrophobicContact CB-CD2 4.35Å; L123-F125 HydrophobicContact CB-CE1 4.14Å; L123-F125 HydrophobicContact CB-CE2 3.38Å; L123-F125 HydrophobicContact CB-CZ 3.23Å; L123-F125 HydrophobicContact CD1-CE2 4.16Å; L123-F125 HydrophobicContact CD1-CZ 3.89Å; L123-F125 HydrophobicContact CD2-CE1 4.28Å; L123-F125 HydrophobicContact CD2-CZ 3.74Å; L123-F125 HydrophobicContact CG-CE2 4.27Å; L123-F125 HydrophobicContact CG-CZ 3.81Å; F125-I127 HydrophobicContact CB-CG1 4.32Å; F125-I170 HydrophobicContact CD1-CD1 4.23Å; F125-I170 HydrophobicContact CE1-CD1 3.2Å; F125-I170 HydrophobicContact CE1-CG1 4.41Å; F125-I170 HydrophobicContact CE2-CD1 3.97Å; F125-I170 HydrophobicContact CE2-CG1 4.48Å; F125-I170 HydrophobicContact CZ-CD1 3.03Å; F125-I170 HydrophobicContact CZ-CG1 3.93Å
126M47.6Very low43Very low0 Ų076 Ų760%044%0.435CS..EExtended strand (participates in β ladder)trans-82.9129161.4-177.1176.757.400108.2V84 T95 Y96 I99 L112 L128V84-M126 CarbonylContact C-O 3.57Å; V84-M126 HydrophobicContact CB-CB 4.28Å; V84-M126 HydrophobicContact CB-CE 3.47Å; V84-M126 VanDerWaalsContact CB-CE 3.47Å; V84-M126 HydrophobicContact CG1-CE 3.65Å; V84-M126 HydrophobicContact CG2-CE 3.75Å; V84-M126 PolarHBondContact N-O 3.31Å; V84-M126 CarbonylContact O-C 3.54Å; V84-M126 WeakPolarHBondContact O-CA 3.5Å; V84-M126 WeakPolarHBondContact O-CB 3.43Å; V84-M126 PolarHBondContact O-N 3.45Å; T95-M126 HydrophobicContact CG2-CE 3.37Å; T95-M126 HydrophobicContact CG2-SD 4.48Å; Y96-M126 WeakPolarHBondContact CA-SD 3.4Å; Y96-M126 WeakPolarHBondContact CB-SD 3.32Å; Y96-M126 HydrophobicContact CD2-SD 4.19Å; Y96-M126 HydrophobicContact CG-SD 4.34Å; Y96-M126 PolarHBondContact N-SD 3.45Å; I99-M126 HydrophobicContact CD1-CE 3.59Å; I99-M126 HydrophobicContact CD1-SD 4.39Å; L112-M126 HydrophobicContact CD1-CB 4.29Å; L112-M126 HydrophobicContact CD1-CG 4.32Å; M126-L128 HydrophobicContact CE-CD1 3.59Å; M126-L128 HydrophobicContact CG-CD1 4.04Å; M126-L128 HydrophobicContact SD-CD1 3.89Å
127I49.2Very low42.4Very low17 Ų1779.9 Ų79.99%0.08743%0.431CS..EExtended strand (participates in β ladder)trans-109.5104.1-179-68.5-156.4000107.3L80 A111 I113 F125 G129 L140L80-I127 HydrophobicContact CD1-CB 4.49Å; L80-I127 HydrophobicContact CD1-CG2 3.23Å; L80-I127 HydrophobicContact CD2-CD1 4.45Å; L80-I127 HydrophobicContact CD2-CG2 3.79Å; L80-I127 HydrophobicContact CG-CG2 4.11Å; A111-I127 CarbonylContact C-O 3.53Å; A111-I127 WeakPolarHBondContact CA-O 3.32Å; A111-I127 PolarHBondContact N-O 3.12Å; A111-I127 CarbonylContact O-C 3.28Å; A111-I127 PolarHBondContact O-N 3.1Å; I113-I127 HydrophobicContact CD1-CB 3.96Å; I113-I127 HydrophobicContact CD1-CD1 3.62Å; I113-I127 HydrophobicContact CD1-CG1 3.79Å; I113-I127 HydrophobicContact CG1-CB 4.29Å; I113-I127 HydrophobicContact CG1-CG1 4.29Å; F125-I127 HydrophobicContact CB-CG1 4.32Å; I127-G129 VanDerWaalsContact C-N 3.31Å; I127-G129 PolarHBondContact O-N 3.4Å; I127-G129 VanDerWaalsContact O-N 3.11Å; I127-L140 HydrophobicContact CD1-CD2 3.24Å; I127-L140 HydrophobicContact CG1-CD2 4.38Å; I127-L140 HydrophobicContact CG2-CD2 4.2Å
128L47.5Very low41.8Very low0 Ų085.2 Ų85.20%045%0.446CS..EExtended strand (participates in β ladder)trans-82.983.5170.9-104.394.2000109.3V65 L69 L80 A82 V84 I99 A110 M126V65-L128 HydrophobicContact CG1-CD2 3.83Å; L69-L128 HydrophobicContact CD1-CD2 4.14Å; L80-L128 WeakPolarHBondContact CD1-O 3.29Å; A82-L128 HydrophobicContact CB-CB 3.97Å; A82-L128 PolarHBondContact N-O 3.08Å; A82-L128 CarbonylContact O-C 3.57Å; A82-L128 VanDerWaalsContact O-C 3.27Å; A82-L128 VanDerWaalsContact O-CA 3.3Å; A82-L128 WeakPolarHBondContact O-CA 3.46Å; A82-L128 WeakPolarHBondContact O-CB 3.43Å; A82-L128 PolarHBondContact O-N 3.35Å; V84-L128 HydrophobicContact CG2-CD1 4.05Å; I99-L128 HydrophobicContact CD1-CD1 3.3Å; I99-L128 HydrophobicContact CD1-CD2 3.98Å; I99-L128 HydrophobicContact CD1-CG 4.23Å; I99-L128 HydrophobicContact CG2-CD1 4.17Å; I99-L128 HydrophobicContact CG2-CD2 3.67Å; I99-L128 HydrophobicContact CG2-CG 4.23Å; A110-L128 HydrophobicContact CB-CD1 4.4Å; A110-L128 HydrophobicContact CB-CG 3.97Å; M126-L128 HydrophobicContact CE-CD1 3.59Å; M126-L128 HydrophobicContact CG-CD1 4.04Å; M126-L128 HydrophobicContact SD-CD1 3.89Å
129G46.2Very low41.9Very low10 Ų1080.5 Ų80.510%0.10342%0.42CS..EExtended strand (participates in β ladder)trans-123.2136.7168.900000110.8S109 I127 R131S109-G129 CarbonylContact C-O 3.53Å; S109-G129 CarbonylContact O-C 3.34Å; S109-G129 VanDerWaalsContact O-O 3.05Å; S109-G129 PolarHBondContact OG-O 3.27Å; I127-G129 VanDerWaalsContact C-N 3.31Å; I127-G129 PolarHBondContact O-N 3.4Å; I127-G129 VanDerWaalsContact O-N 3.11Å; G129-R131 PolarHBondContact O-N 2.87Å; G129-R131 VanDerWaalsContact O-N 3.11Å
130C35.7Very low41.9Very low6 Ų678.9 Ų78.94%0.04139%0.394CS..  trans-65105.2169.4-61.40000110A76 F108 S109A76-C130 WeakPolarHBondContact CA-O 3.4Å; A76-C130 HydrophobicContact CB-CB 4.22Å; F108-C130 WeakPolarHBondContact CA-SG 3.5Å; F108-C130 WeakPolarHBondContact CB-SG 3.47Å; S109-C130 WeakPolarHBondContact OG-CA 3.44Å
131R36.5Very low41.7Very low126 Ų12679.5 Ų79.548%0.47540%0.398SS..  trans-133.5133.2159.5-114.3175.9179.9165.90.7112.8S109 G129 S139S109-R131 WeakPolarHBondContact CB-O 3.42Å; S109-R131 VanDerWaalsContact OG-C 3.3Å; S109-R131 PolarHBondContact OG-N 3.27Å; S109-R131 PolarHBondContact OG-O 3.07Å; G129-R131 PolarHBondContact O-N 2.87Å; G129-R131 VanDerWaalsContact O-N 3.11Å; R131-S139 PolarHBondContact NH1-OG 3.42Å
132F28.2Very low41.7Very low175 Ų17582.8 Ų82.877%0.76841%0.405SS*.  trans-81140.9164.6-92.5-97.1000109.5A76A76-F132 HydrophobicContact CB-CD2 4.01Å
133G31.9Very low41.8Very low64 Ų6477.7 Ų77.766%0.6639%0.39SS*.SBendtrans77.9140.4155.500000117T135G133-T135 PolarHBondContact O-N 3.01Å; G133-T135 PolarHBondContact O-OG1 3.45Å; G133-T135 VanDerWaalsContact O-OG1 3.13Å
134E32.6Very low42.5Very low188 Ų18877.9 Ų77.988%0.87939%0.391SS*.  trans-5096.9174.4-62.4173.3158.700111.3
135T36.8Very low42.4Very low94 Ų9479 Ų7958%0.57741%0.409SS*.  trans-131.2133.8173.6-30.80000109.5G133 Y137G133-T135 PolarHBondContact O-N 3.01Å; G133-T135 PolarHBondContact O-OG1 3.45Å; G133-T135 VanDerWaalsContact O-OG1 3.13Å; T135-Y137 PolarHBondContact O-N 2.97Å
136P37.6Very low42.9Very low103 Ų10382 Ų8267%0.66942%0.423SS*.  trans-61136.8-169.7-21.432.2000113.5K138P136-K138 PolarHBondContact O-N 2.99Å
137Y44.3Very low43.5Very low143 Ų14382 Ų8256%0.56142%0.424SS*.G310 helixtrans-56.3-3.1-172.3-64.1-88.7000117.8T135 S139T135-Y137 PolarHBondContact O-N 2.97Å; Y137-S139 PolarHBondContact O-N 3.35Å; Y137-S139 VanDerWaalsContact O-N 3.16Å
138K40.1Very low44.9Very low202 Ų20283.9 Ų83.988%0.87843%0.434SS*.G310 helixtrans-69.5-9.5-174.1-81.6-178.4176.1175.80115.1P136P136-K138 PolarHBondContact O-N 2.99Å
139S41.1Very low46.7Very low48 Ų4884 Ų8434%0.33643%0.434SS..G310 helixtrans-92.2-1-178.758.10000115.2R131 Y137 Q141R131-S139 PolarHBondContact NH1-OG 3.42Å; Y137-S139 PolarHBondContact O-N 3.35Å; Y137-S139 VanDerWaalsContact O-N 3.16Å; S139-Q141 PolarHBondContact O-N 2.53Å
140L45.7Very low48.8Very low39 Ų3983.6 Ų83.620%0.20443%0.43CS..G310 helixtrans-82.8-13.6-166.1-132.4121.3000115.4I113 I127 H142I113-L140 HydrophobicContact CD1-CD1 4.04Å; I113-L140 HydrophobicContact CD1-CD2 3.44Å; I113-L140 VanDerWaalsContact CD1-CD2 3.44Å; I113-L140 HydrophobicContact CD1-CG 4.35Å; I127-L140 HydrophobicContact CD1-CD2 3.24Å; I127-L140 HydrophobicContact CG1-CD2 4.38Å; I127-L140 HydrophobicContact CG2-CD2 4.2Å; L140-H142 PolarHBondContact O-N 2.9Å
141Q43.4Very low51.4Low98 Ų9883.3 Ų83.346%0.45843%0.428SS..G310 helixtrans-72.3-15.7174.9-82.9179.4-9.100113.4S139S139-Q141 PolarHBondContact O-N 2.53Å
142H40.7Very low54Low156 Ų15677.3 Ų77.372%0.72241%0.405SS*.G310 helixtrans-103.7-4-172-69.7-65.3000115L140L140-H142 PolarHBondContact O-N 2.9Å
143D52.8Low56.8Low46 Ų4669.1 Ų69.125%0.24637%0.37CS..  trans-112.89-169.5-137.311.8000114.5G79 A145G79-D143 WeakPolarHBondContact CA-OD2 3.41Å; D143-A145 PolarHBondContact O-N 3.32Å
144L55.7Low59.3Low38 Ų3866.7 Ų66.720%0.19934%0.341CS..G310 helixtrans-67.3-16175.3-66.7-179.4000113L80 V83 H146 S147 N173 L174 P175L80-L144 HydrophobicContact CD2-CD2 3.68Å; V83-L144 HydrophobicContact CG2-CD2 4.49Å; L144-H146 PolarHBondContact O-N 3.07Å; L144-S147 PolarHBondContact O-N 3.1Å; L144-S147 PolarHBondContact O-OG 2.68Å; L144-N173 HydrophobicContact CD1-CB 4.14Å; L144-L174 HydrophobicContact CB-CD2 4.25Å; L144-L174 HydrophobicContact CD1-CD2 4.46Å; L144-L174 HydrophobicContact CD2-CD2 4.07Å; L144-L174 HydrophobicContact CG-CD2 4.49Å; L144-P175 VanDerWaalsContact O-CD 3.32Å; L144-P175 WeakPolarHBondContact O-CD 3.25Å
145A50.1Low61.8Low67 Ų6757.8 Ų57.855%0.55430%0.299SS*.G310 helixtrans-63.4-15.9-17400000114.3D143D143-A145 PolarHBondContact O-N 3.32Å
146H57.2Low64Low101 Ų10153.4 Ų53.447%0.46827%0.272SS..G310 helixtrans-113.98.3-177.9-59.8-53.7000114W74 L80 L144 N148W74-H146 HydrophobicContact CH2-CB 4.35Å; W74-H146 HydrophobicContact CZ2-CB 4.49Å; L80-H146 CarbonylContact O-C 3.53Å; L80-H146 VanDerWaalsContact O-C 3.28Å; L144-H146 PolarHBondContact O-N 3.07Å; H146-N148 PolarHBondContact O-N 3.11Å; H146-N148 VanDerWaalsContact O-N 3.09Å; H146-N148 PolarHBondContact O-OD1 3.25Å; H146-N148 VanDerWaalsContact O-OD1 3.11Å
147S60.9Low65.9Low2 Ų250.2 Ų50.21%0.01425%0.247CC..  trans-77.1102-17866.20000111.1L80 L144 L174 P175L80-S147 WeakPolarHBondContact O-CA 3.41Å; L80-S147 PolarHBondContact O-N 2.89Å; L144-S147 PolarHBondContact O-N 3.1Å; L144-S147 PolarHBondContact O-OG 2.68Å; S147-L174 WeakPolarHBondContact OG-CD2 3.48Å; S147-P175 WeakPolarHBondContact O-CG 3.4Å
148N77.4Confident67.6Low56 Ų5643.6 Ų43.630%0.29922%0.221SC..  trans-89.3-7.7-177.1-66.31.1000113.2Y68 A81 H146 R178 Q179Y68-N148 HydrophobicContact CE1-CB 4.18Å; Y68-N148 WeakPolarHBondContact OH-CB 3.49Å; Y68-N148 PolarHBondContact OH-ND2 3.13Å; Y68-N148 VanDerWaalsContact OH-ND2 3.07Å; A81-N148 PolarHBondContact O-N 3.01Å; H146-N148 PolarHBondContact O-N 3.11Å; H146-N148 VanDerWaalsContact O-N 3.09Å; H146-N148 PolarHBondContact O-OD1 3.25Å; H146-N148 VanDerWaalsContact O-OD1 3.11Å; N148-R178 WeakPolarHBondContact O-CA 3.48Å; N148-Q179 PolarHBondContact O-N 3.34Å
149C86.6Confident69.5Low1 Ų135.5 Ų35.51%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-132.5126.4179.1-169.90000111.8A81 A82 V83 Q179A81-C149 PolarHBondContact O-N 3.29Å; A82-C149 CarbonylContact C-O 3.53Å; A82-C149 VanDerWaalsContact CA-O 3.23Å; A82-C149 WeakPolarHBondContact CA-O 3.3Å; A82-C149 HydrophobicContact CB-CB 3.96Å; V83-C149 PolarHBondContact N-O 2.99Å; C149-Q179 CarbonylContact C-O 3.38Å; C149-Q179 WeakPolarHBondContact CA-O 3.34Å
150L89.7Confident71.2Confident2 Ų237.1 Ų37.11%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-119.4131.9175174.366.7000109.4V83 I85 L152 F171 L174 Q179 T180 L181V83-L150 HydrophobicContact CB-CD1 4.17Å; V83-L150 HydrophobicContact CG1-CD1 4.25Å; V83-L150 CarbonylContact O-C 3.4Å; V83-L150 WeakPolarHBondContact O-CA 3.15Å; I85-L150 HydrophobicContact CD1-CD1 3.95Å; I85-L150 HydrophobicContact CG1-CD1 4.11Å; L150-L152 HydrophobicContact CD1-CD2 4.35Å; L150-L152 HydrophobicContact CG-CD2 4.49Å; L150-F171 HydrophobicContact CD2-CD1 3.92Å; L150-F171 HydrophobicContact CD2-CE1 3.6Å; L150-L174 HydrophobicContact CD1-CD1 4.01Å; L150-L174 HydrophobicContact CD2-CD1 3.94Å; L150-L174 HydrophobicContact CG-CD1 4.45Å; L150-Q179 PolarHBondContact N-O 3.46Å; L150-T180 HydrophobicContact CB-CG2 4.18Å; L150-T180 HydrophobicContact CD2-CG2 3.83Å; L150-T180 HydrophobicContact CG-CG2 4.06Å; L150-T180 CarbonylContact O-C 3.52Å; L150-T180 VanDerWaalsContact O-CA 3.28Å; L150-T180 WeakPolarHBondContact O-CA 3.45Å; L150-L181 PolarHBondContact O-N 3.32Å
151V90.4Very high72.4Confident0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-121.9132174-175.20000109.7F61 V65 V83 V84 I85 L181F61-V151 HydrophobicContact CB-CG1 3.9Å; F61-V151 HydrophobicContact CB-CG2 4.49Å; F61-V151 HydrophobicContact CD1-CG1 4.07Å; F61-V151 HydrophobicContact CD2-CG1 3.72Å; F61-V151 HydrophobicContact CD2-CG2 4.5Å; F61-V151 HydrophobicContact CE1-CG1 4.47Å; F61-V151 HydrophobicContact CE2-CG1 4.19Å; F61-V151 HydrophobicContact CG-CG1 3.66Å; V65-V151 HydrophobicContact CG2-CG2 3.74Å; V83-V151 PolarHBondContact O-N 3.42Å; V84-V151 WeakPolarHBondContact CA-O 3.17Å; V84-V151 HydrophobicContact CB-CB 4.28Å; V84-V151 HydrophobicContact CG1-CB 4.08Å; V84-V151 HydrophobicContact CG1-CG1 4.17Å; V84-V151 HydrophobicContact CG2-CB 4.01Å; V84-V151 HydrophobicContact CG2-CG2 4.14Å; I85-V151 PolarHBondContact N-O 3.29Å; V151-L181 CarbonylContact C-O 3.45Å; V151-L181 VanDerWaalsContact CA-O 3.26Å; V151-L181 WeakPolarHBondContact CA-O 3.44Å; V151-L181 HydrophobicContact CG1-CB 4.42Å; V151-L181 HydrophobicContact CG2-CB 4.19Å; V151-L181 HydrophobicContact CG2-CD1 4.18Å; V151-L181 HydrophobicContact CG2-CG 4.49Å
152L90.2Very high74Confident0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-111.6105.2170.9-56.8178.5000108.5I85 L150 A155 L167 F171 L181 L182 Y183 L194I85-L152 HydrophobicContact CB-CD2 3.76Å; I85-L152 HydrophobicContact CD1-CD2 3.68Å; I85-L152 HydrophobicContact CG1-CD2 3.88Å; I85-L152 HydrophobicContact CG2-CD2 4.39Å; L150-L152 HydrophobicContact CD1-CD2 4.35Å; L150-L152 HydrophobicContact CG-CD2 4.49Å; L152-A155 HydrophobicContact CB-CB 4.28Å; L152-L167 HydrophobicContact CD2-CD2 4.24Å; L152-F171 HydrophobicContact CD1-CE1 4.44Å; L152-F171 HydrophobicContact CD1-CZ 3.83Å; L152-F171 HydrophobicContact CD2-CE1 4.22Å; L152-F171 HydrophobicContact CD2-CZ 4.22Å; L152-L181 PolarHBondContact N-O 3.04Å; L152-L182 HydrophobicContact CB-CG 4.35Å; L152-L182 HydrophobicContact CD1-CD1 4.3Å; L152-L182 HydrophobicContact CD1-CG 4.45Å; L152-Y183 PolarHBondContact O-N 2.97Å; L152-L194 HydrophobicContact CD1-CD2 3.44Å; L152-L194 VanDerWaalsContact CD1-CD2 3.44Å
153D88.4Confident75.8Confident4 Ų429.1 Ų29.12%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-92.3132.8175.6-168.117.7000110.2F61 I85 P87F61-D153 HydrophobicContact CE1-CB 4.1Å; F61-D153 HydrophobicContact CZ-CB 4.13Å; I85-D153 PolarHBondContact O-N 3.1Å; P87-D153 WeakPolarHBondContact CD-O 3.28Å
154E83.7Confident77Confident13 Ų1328.7 Ų28.76%0.06117%0.171CC..THydrogen-bonded Turntrans50.653.4-172.7-60.2-158.8159.500113.3P87 L91 D156 R157 I158 Y183 R308 G309P87-E154 HydrophobicContact CG-CB 3.85Å; L91-E154 HydrophobicContact CD2-CB 4.32Å; L91-E154 HydrophobicContact CD2-CG 3.83Å; E154-D156 VanDerWaalsContact C-N 3.28Å; E154-D156 PolarHBondContact O-N 3.37Å; E154-R157 HydrophobicContact CB-CB 4.12Å; E154-R157 WeakPolarHBondContact O-CA 3.17Å; E154-R157 WeakPolarHBondContact O-CB 3.48Å; E154-R157 PolarHBondContact O-N 3.25Å; E154-I158 PolarHBondContact O-N 3.01Å; E154-I158 VanDerWaalsContact O-N 3.15Å; E154-Y183 WeakPolarHBondContact CA-O 3.27Å; E154-Y183 PolarHBondContact N-O 3.48Å; E154-R308 WeakPolarHBondContact OE2-CB 3.4Å; E154-G309 VanDerWaalsContact CD-N 3.26Å; E154-G309 WeakPolarHBondContact OE1-CA 3.35Å; E154-G309 PolarHBondContact OE1-N 3.5Å; E154-G309 PolarHBondContact OE2-N 3.15Å; E154-G309 VanDerWaalsContact OE2-N 3.09Å
155A85.2Confident78.2Confident0 Ų033.4 Ų33.40%019%0.192CC..Hα-helixtrans-56.9-36.4-176.300000114.4L152 R157 I158 L159 L182 Y183L152-A155 HydrophobicContact CB-CB 4.28Å; A155-R157 VanDerWaalsContact C-N 3.26Å; A155-R157 PolarHBondContact O-N 3Å; A155-I158 PolarHBondContact O-N 3.22Å; A155-L159 WeakPolarHBondContact O-CG 3.32Å; A155-L159 PolarHBondContact O-N 2.83Å; A155-L159 VanDerWaalsContact O-N 3.13Å; A155-L182 HydrophobicContact CB-CD1 4.22Å; A155-L182 HydrophobicContact CB-CD2 3.65Å; A155-L182 HydrophobicContact CB-CG 3.78Å; A155-Y183 PolarHBondContact N-O 3.31Å
156D82.7Confident79.7Confident2 Ų233 Ų331%0.01118%0.179CC..Hα-helixtrans-55.7-43.417253.7-35000111.3E154 L159 D160 S184 T186 V191 H332E154-D156 VanDerWaalsContact C-N 3.28Å; E154-D156 PolarHBondContact O-N 3.37Å; D156-L159 PolarHBondContact O-N 2.92Å; D156-D160 WeakPolarHBondContact O-CB 3.3Å; D156-D160 PolarHBondContact O-N 3.08Å; D156-S184 WeakPolarHBondContact CB-OG 3.34Å; D156-S184 PolarHBondContact OD1-OG 3.45Å; D156-S184 PolarHBondContact OD2-OG 3.28Å; D156-T186 WeakPolarHBondContact CB-OG1 3.48Å; D156-T186 PolarHBondContact OD2-OG1 3.41Å; D156-V191 HydrophobicContact CB-CG2 3.66Å; D156-H332 IonicContact OD2-CE1 2.68Å; D156-H332 PolarHBondContact OD2-CE1 3.31Å; D156-H332 IonicContact OD2-NE2 3.02Å
157R76.9Confident80.9Confident37 Ų3728.2 Ų28.214%0.1416%0.157CC..Hα-helixtrans-70.5-36.5179.7-175.950.2166.7-1781.6112.6P87 E154 A155 L159 D160 L161P87-R157 HydrophobicContact CB-CB 4.07Å; P87-R157 HydrophobicContact CB-CG 3.63Å; P87-R157 HydrophobicContact CG-CB 4Å; P87-R157 HydrophobicContact CG-CG 3.82Å; E154-R157 HydrophobicContact CB-CB 4.12Å; E154-R157 WeakPolarHBondContact O-CA 3.17Å; E154-R157 WeakPolarHBondContact O-CB 3.48Å; E154-R157 PolarHBondContact O-N 3.25Å; A155-R157 VanDerWaalsContact C-N 3.26Å; A155-R157 PolarHBondContact O-N 3Å; R157-L159 PolarHBondContact O-N 3.36Å; R157-D160 PolarHBondContact O-N 3.42Å; R157-L161 HydrophobicContact CG-CD1 4.01Å; R157-L161 HydrophobicContact CG-CG 4.34Å; R157-L161 WeakPolarHBondContact O-CB 3.49Å; R157-L161 VanDerWaalsContact O-CG 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.93Å
158I80.7Confident81.9Confident3 Ų332 Ų322%0.01518%0.177CC..Hα-helixtrans-60.4-42.7176.6-58169.3000109.4I85 P87 E154 A155 F163 L167I85-I158 HydrophobicContact CB-CD1 4.49Å; I85-I158 HydrophobicContact CG2-CD1 3.77Å; P87-I158 HydrophobicContact CB-CG1 3.91Å; P87-I158 HydrophobicContact CG-CG1 4.39Å; E154-I158 PolarHBondContact O-N 3.01Å; E154-I158 VanDerWaalsContact O-N 3.15Å; A155-I158 PolarHBondContact O-N 3.22Å; I158-F163 HydrophobicContact CG2-CB 3.63Å; I158-F163 HydrophobicContact CG2-CD2 4.22Å; I158-F163 HydrophobicContact CG2-CG 4.44Å; I158-F163 WeakPolarHBondContact O-CB 3.41Å; I158-F163 PolarHBondContact O-N 3.3Å; I158-F163 VanDerWaalsContact O-N 3.1Å; I158-L167 HydrophobicContact CB-CD1 4.26Å; I158-L167 HydrophobicContact CG2-CD1 3.46Å; I158-L167 VanDerWaalsContact CG2-CD1 3.46Å; I158-L167 HydrophobicContact CG2-CD2 4.18Å; I158-L167 HydrophobicContact CG2-CG 3.74Å
159L81.1Confident82.1Confident32 Ų3232 Ų3217%0.16818%0.184CC..Hα-helixtrans-66.8-46.5175.1-67.5174.3000112.7A155 D156 R157 L161 G162 A164 S190 V191 L194A155-L159 WeakPolarHBondContact O-CG 3.32Å; A155-L159 PolarHBondContact O-N 2.83Å; A155-L159 VanDerWaalsContact O-N 3.13Å; D156-L159 PolarHBondContact O-N 2.92Å; R157-L159 PolarHBondContact O-N 3.36Å; L159-L161 PolarHBondContact O-N 2.87Å; L159-G162 WeakPolarHBondContact O-CA 3.5Å; L159-G162 PolarHBondContact O-N 3.46Å; L159-A164 HydrophobicContact CD2-CB 3.94Å; L159-S190 VanDerWaalsContact CD1-C 3.49Å; L159-S190 VanDerWaalsContact CD1-O 3.3Å; L159-S190 WeakPolarHBondContact CD1-O 3.35Å; L159-V191 HydrophobicContact CD1-CG2 4.23Å; L159-L194 HydrophobicContact CD1-CB 3.95Å; L159-L194 HydrophobicContact CD1-CD1 3.84Å; L159-L194 HydrophobicContact CD2-CD1 3.59Å; L159-L194 HydrophobicContact CG-CD1 3.74Å
160D75Confident81.8Confident82 Ų8233.1 Ų33.144%0.43919%0.19SC..Hα-helixtrans-58.8-33.3178.7-71.9-14000112.4D156 R157 G162 R308D156-D160 WeakPolarHBondContact O-CB 3.3Å; D156-D160 PolarHBondContact O-N 3.08Å; R157-D160 PolarHBondContact O-N 3.42Å; D160-G162 PolarHBondContact O-N 2.84Å; D160-R308 IonicContact OD2-CZ 3.55Å; D160-R308 IonicContact OD2-NH2 2.53Å; D160-R308 PolarHBondContact OD2-NH2 3Å
161L72.1Confident81.4Confident45 Ų4534.2 Ų34.224%0.23620%0.195CC..THydrogen-bonded Turntrans-77.5-1.8177.1-70.9173.3000113.3P87 R157 L159 F163P87-L161 HydrophobicContact CB-CD1 3.95Å; R157-L161 HydrophobicContact CG-CD1 4.01Å; R157-L161 HydrophobicContact CG-CG 4.34Å; R157-L161 WeakPolarHBondContact O-CB 3.49Å; R157-L161 VanDerWaalsContact O-CG 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.93Å; L159-L161 PolarHBondContact O-N 2.87Å; L161-F163 HydrophobicContact CB-CD2 3.64Å; L161-F163 HydrophobicContact CB-CE2 3.66Å; L161-F163 HydrophobicContact CB-CG 4.39Å; L161-F163 HydrophobicContact CB-CZ 4.41Å; L161-F163 HydrophobicContact CD1-CD2 4.21Å; L161-F163 HydrophobicContact CD1-CE2 3.73Å; L161-F163 HydrophobicContact CG-CE2 4.33Å
162G76.6Confident81Confident49 Ų4938.1 Ų38.151%0.50523%0.227SC..THydrogen-bonded Turntrans78.420.6-179.900000113.8L159 D160 A164 Q166L159-G162 WeakPolarHBondContact O-CA 3.5Å; L159-G162 PolarHBondContact O-N 3.46Å; D160-G162 PolarHBondContact O-N 2.84Å; G162-A164 PolarHBondContact O-N 2.99Å; G162-Q166 PolarHBondContact O-OE1 3.39Å
163F77.8Confident80.6Confident31 Ų3143.5 Ų43.514%0.13626%0.256CS..  trans-84.216.3-179.9-64-48.4000114.2L123 I158 L161 Q166 L167L123-F163 HydrophobicContact CD2-CB 4.09Å; L123-F163 HydrophobicContact CD2-CD1 3.99Å; L123-F163 HydrophobicContact CD2-CG 4.07Å; I158-F163 HydrophobicContact CG2-CB 3.63Å; I158-F163 HydrophobicContact CG2-CD2 4.22Å; I158-F163 HydrophobicContact CG2-CG 4.44Å; I158-F163 WeakPolarHBondContact O-CB 3.41Å; I158-F163 PolarHBondContact O-N 3.3Å; I158-F163 VanDerWaalsContact O-N 3.1Å; L161-F163 HydrophobicContact CB-CD2 3.64Å; L161-F163 HydrophobicContact CB-CE2 3.66Å; L161-F163 HydrophobicContact CB-CG 4.39Å; L161-F163 HydrophobicContact CB-CZ 4.41Å; L161-F163 HydrophobicContact CD1-CD2 4.21Å; L161-F163 HydrophobicContact CD1-CE2 3.73Å; L161-F163 HydrophobicContact CG-CE2 4.33Å; F163-Q166 VanDerWaalsContact C-OE1 3.27Å; F163-Q166 PolarHBondContact O-N 3.48Å; F163-Q166 PolarHBondContact O-OE1 2.99Å; F163-L167 WeakPolarHBondContact O-CB 3.46Å; F163-L167 WeakPolarHBondContact O-CG 3.38Å; F163-L167 PolarHBondContact O-N 2.72Å
164A79.5Confident80.2Confident38 Ų3843.9 Ų43.931%0.31426%0.258SS..Hα-helixtrans-62.9-44.5-177.100000112.5L159 G162 Q166 L167 N168L159-A164 HydrophobicContact CD2-CB 3.94Å; G162-A164 PolarHBondContact O-N 2.99Å; A164-Q166 VanDerWaalsContact C-N 3.3Å; A164-Q166 PolarHBondContact O-N 3.32Å; A164-L167 PolarHBondContact O-N 3.45Å; A164-N168 VanDerWaalsContact O-CG 3.25Å; A164-N168 PolarHBondContact O-N 3.01Å; A164-N168 PolarHBondContact O-ND2 3.29Å
165E80Confident80.1Confident136 Ų13644.9 Ų44.964%0.63627%0.265SS*.Hα-helixtrans-62-42.1178.8-66.4-178.6175.400111.4N168 A169E165-N168 PolarHBondContact O-N 2.8Å; E165-A169 PolarHBondContact O-N 2.99Å
166Q82Confident79.8Confident60 Ų6051.5 Ų51.528%0.2831%0.306SS..Hα-helixtrans-65.9-42.8178.2-69.284.1-5.500112.1L123 G162 F163 A164 N168 A169 I170L123-Q166 HydrophobicContact CD1-CB 3.36Å; L123-Q166 HydrophobicContact CD1-CG 3.43Å; L123-Q166 VanDerWaalsContact CD1-CG 3.43Å; L123-Q166 HydrophobicContact CD2-CB 3.26Å; L123-Q166 HydrophobicContact CD2-CG 3.77Å; L123-Q166 HydrophobicContact CG-CB 3.68Å; L123-Q166 HydrophobicContact CG-CG 3.74Å; G162-Q166 PolarHBondContact O-OE1 3.39Å; F163-Q166 VanDerWaalsContact C-OE1 3.27Å; F163-Q166 PolarHBondContact O-N 3.48Å; F163-Q166 PolarHBondContact O-OE1 2.99Å; A164-Q166 VanDerWaalsContact C-N 3.3Å; A164-Q166 PolarHBondContact O-N 3.32Å; Q166-N168 VanDerWaalsContact C-N 3.35Å; Q166-A169 WeakPolarHBondContact O-CB 3.37Å; Q166-A169 PolarHBondContact O-N 3.35Å; Q166-I170 VanDerWaalsContact O-CG1 3.3Å; Q166-I170 WeakPolarHBondContact O-CG1 3.44Å; Q166-I170 PolarHBondContact O-N 3.45Å; Q166-I170 VanDerWaalsContact O-N 3.11Å
167L81.8Confident79.9Confident0 Ų058.3 Ų58.30%034%0.342CS..Hα-helixtrans-60.6-44.6173.8-82-173.5000111.7I85 L152 I158 F163 A164 A169 I170 F171 L194I85-L167 HydrophobicContact CD1-CD2 3.79Å; I85-L167 HydrophobicContact CG2-CD2 4.08Å; L152-L167 HydrophobicContact CD2-CD2 4.24Å; I158-L167 HydrophobicContact CB-CD1 4.26Å; I158-L167 HydrophobicContact CG2-CD1 3.46Å; I158-L167 VanDerWaalsContact CG2-CD1 3.46Å; I158-L167 HydrophobicContact CG2-CD2 4.18Å; I158-L167 HydrophobicContact CG2-CG 3.74Å; F163-L167 WeakPolarHBondContact O-CB 3.46Å; F163-L167 WeakPolarHBondContact O-CG 3.38Å; F163-L167 PolarHBondContact O-N 2.72Å; A164-L167 PolarHBondContact O-N 3.45Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 3.18Å; L167-I170 HydrophobicContact CD2-CD1 4.02Å; L167-I170 WeakPolarHBondContact O-CB 3.3Å; L167-I170 PolarHBondContact O-N 2.88Å; L167-I170 VanDerWaalsContact O-N 3.09Å; L167-F171 HydrophobicContact CB-CE2 4.1Å; L167-F171 HydrophobicContact CB-CZ 4.1Å; L167-F171 HydrophobicContact CD1-CZ 4.37Å; L167-F171 HydrophobicContact CD2-CE1 4.38Å; L167-F171 HydrophobicContact CD2-CZ 4.15Å; L167-F171 HydrophobicContact CG-CZ 4.47Å; L167-F171 WeakPolarHBondContact O-CD2 3.48Å; L167-F171 VanDerWaalsContact O-CG 3.23Å; L167-F171 WeakPolarHBondContact O-CG 3.37Å; L167-F171 PolarHBondContact O-N 3.29Å; L167-L194 HydrophobicContact CD1-CD1 3.57Å
168N81.9Confident80.4Confident81 Ų8158.3 Ų58.343%0.43334%0.343SS..Hα-helixtrans-60.7-39.7177.3-69.5-23.8000111.7A164 E165 Q166 I170 F171 A172A164-N168 VanDerWaalsContact O-CG 3.25Å; A164-N168 PolarHBondContact O-N 3.01Å; A164-N168 PolarHBondContact O-ND2 3.29Å; E165-N168 PolarHBondContact O-N 2.8Å; Q166-N168 VanDerWaalsContact C-N 3.35Å; N168-I170 VanDerWaalsContact C-N 3.31Å; N168-I170 PolarHBondContact O-N 3.25Å; N168-F171 PolarHBondContact O-N 3.45Å; N168-A172 WeakPolarHBondContact O-CB 3.36Å; N168-A172 PolarHBondContact O-N 3.42Å
169A81.6Confident80.9Confident55 Ų5559.1 Ų59.146%0.45535%0.346SS..Hα-helixtrans-63.2-35.9175.100000112.5E165 Q166 L167 N173E165-A169 PolarHBondContact O-N 2.99Å; Q166-A169 WeakPolarHBondContact O-CB 3.37Å; Q166-A169 PolarHBondContact O-N 3.35Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 3.18Å; A169-N173 PolarHBondContact O-ND2 2.91Å
170I80.5Confident81.4Confident25 Ų2557.7 Ų57.713%0.12834%0.339CS..Hα-helixtrans-68.3-49.1174.1-60.6157.3000110.3I85 F125 Q166 L167 N168 A172 N173 L174I85-I170 HydrophobicContact CD1-CD1 3.86Å; I85-I170 HydrophobicContact CD1-CG2 4.34Å; F125-I170 HydrophobicContact CD1-CD1 4.23Å; F125-I170 HydrophobicContact CE1-CD1 3.2Å; F125-I170 HydrophobicContact CE1-CG1 4.41Å; F125-I170 HydrophobicContact CE2-CD1 3.97Å; F125-I170 HydrophobicContact CE2-CG1 4.48Å; F125-I170 HydrophobicContact CZ-CD1 3.03Å; F125-I170 HydrophobicContact CZ-CG1 3.93Å; Q166-I170 VanDerWaalsContact O-CG1 3.3Å; Q166-I170 WeakPolarHBondContact O-CG1 3.44Å; Q166-I170 PolarHBondContact O-N 3.45Å; Q166-I170 VanDerWaalsContact O-N 3.11Å; L167-I170 HydrophobicContact CD2-CD1 4.02Å; L167-I170 WeakPolarHBondContact O-CB 3.3Å; L167-I170 PolarHBondContact O-N 2.88Å; L167-I170 VanDerWaalsContact O-N 3.09Å; N168-I170 VanDerWaalsContact C-N 3.31Å; N168-I170 PolarHBondContact O-N 3.25Å; I170-A172 PolarHBondContact O-N 2.91Å; I170-N173 PolarHBondContact O-N 3.33Å; I170-L174 HydrophobicContact CG2-CD1 3.7Å; I170-L174 HydrophobicContact CG2-CG 4.07Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.46Å
171F81.6Confident82.2Confident25 Ų2553.8 Ų53.811%0.1132%0.318CS..Hα-helixtrans-59.2-33.4-178.1-60-22.1000111.9L150 L152 L167 N168 N173 L174L150-F171 HydrophobicContact CD2-CD1 3.92Å; L150-F171 HydrophobicContact CD2-CE1 3.6Å; L152-F171 HydrophobicContact CD1-CE1 4.44Å; L152-F171 HydrophobicContact CD1-CZ 3.83Å; L152-F171 HydrophobicContact CD2-CE1 4.22Å; L152-F171 HydrophobicContact CD2-CZ 4.22Å; L167-F171 HydrophobicContact CB-CE2 4.1Å; L167-F171 HydrophobicContact CB-CZ 4.1Å; L167-F171 HydrophobicContact CD1-CZ 4.37Å; L167-F171 HydrophobicContact CD2-CE1 4.38Å; L167-F171 HydrophobicContact CD2-CZ 4.15Å; L167-F171 HydrophobicContact CG-CZ 4.47Å; L167-F171 WeakPolarHBondContact O-CD2 3.48Å; L167-F171 VanDerWaalsContact O-CG 3.23Å; L167-F171 WeakPolarHBondContact O-CG 3.37Å; L167-F171 PolarHBondContact O-N 3.29Å; N168-F171 PolarHBondContact O-N 3.45Å; F171-N173 PolarHBondContact O-N 2.93Å; F171-L174 HydrophobicContact CD1-CD1 4.31Å; F171-L174 PolarHBondContact O-N 3.27Å
172A81.7Confident83.2Confident83 Ų8351.6 Ų51.669%0.68631%0.306SS*.THydrogen-bonded Turntrans-65.2-22.1174.400000114.2N168 I170N168-A172 WeakPolarHBondContact O-CB 3.36Å; N168-A172 PolarHBondContact O-N 3.42Å; I170-A172 PolarHBondContact O-N 2.91Å
173N81.1Confident83.9Confident113 Ų11349.3 Ų49.360%0.60428%0.282SS*.THydrogen-bonded Turntrans-103-3.1179.6-71.1-73.5000113.6L144 A169 I170 F171L144-N173 HydrophobicContact CD1-CB 4.14Å; A169-N173 PolarHBondContact O-ND2 2.91Å; I170-N173 PolarHBondContact O-N 3.33Å; F171-N173 PolarHBondContact O-N 2.93Å
174L81Confident84.3Confident12 Ų1247.9 Ų47.96%0.06328%0.276CS..SBendtrans-95.3147.9178.1-68.5173.7000110.8L144 S147 L150 I170 F171L144-L174 HydrophobicContact CB-CD2 4.25Å; L144-L174 HydrophobicContact CD1-CD2 4.46Å; L144-L174 HydrophobicContact CD2-CD2 4.07Å; L144-L174 HydrophobicContact CG-CD2 4.49Å; S147-L174 WeakPolarHBondContact OG-CD2 3.48Å; L150-L174 HydrophobicContact CD1-CD1 4.01Å; L150-L174 HydrophobicContact CD2-CD1 3.94Å; L150-L174 HydrophobicContact CG-CD1 4.45Å; I170-L174 HydrophobicContact CG2-CD1 3.7Å; I170-L174 HydrophobicContact CG2-CG 4.07Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.46Å; F171-L174 HydrophobicContact CD1-CD1 4.31Å; F171-L174 PolarHBondContact O-N 3.27Å
175P81.3Confident84.3Confident33 Ų3347.1 Ų47.121%0.21427%0.27CS..  trans-60.1142.1175.426.1-34.7000110.8L144 S147 R178L144-P175 VanDerWaalsContact O-CD 3.32Å; L144-P175 WeakPolarHBondContact O-CD 3.25Å; S147-P175 WeakPolarHBondContact O-CG 3.4Å; P175-R178 VanDerWaalsContact O-CD 3.29Å; P175-R178 WeakPolarHBondContact O-CD 3.34Å; P175-R178 WeakPolarHBondContact O-CG 3.14Å; P175-R178 PolarHBondContact O-NH1 3.23Å
176T79.3Confident83.9Confident140 Ų14041.6 Ų41.686%0.85925%0.246SC*.SBendtrans-71.2-32.9178.550.70000112.4R178T176-R178 PolarHBondContact O-N 2.87Å
177D84Confident83.4Confident144 Ų14443.5 Ų43.577%0.7726%0.255SS*.SBendtrans-83.886.7174.5-171.619.1000109.5
178R87.9Confident83Confident38 Ų3845 Ų4514%0.14326%0.264CS..  trans-150.4153.5179.966176.8-173-88.9-7.6109.8N148 P175 T176 T180 S198N148-R178 WeakPolarHBondContact O-CA 3.48Å; P175-R178 VanDerWaalsContact O-CD 3.29Å; P175-R178 WeakPolarHBondContact O-CD 3.34Å; P175-R178 WeakPolarHBondContact O-CG 3.14Å; P175-R178 PolarHBondContact O-NH1 3.23Å; T176-R178 PolarHBondContact O-N 2.87Å; R178-T180 PolarHBondContact NE-OG1 3.12Å; R178-S198 PolarHBondContact NH2-O 3.5Å
179Q90.4Very high82.6Confident20 Ų2049.7 Ų49.79%0.09328%0.28CS..EExtended strand (participates in β ladder)trans-83131.4166.2-174.2179.725.600109.8A41 F45 D46 N148 C149 L150 L181A41-Q179 PolarHBondContact O-NE2 3.33Å; F45-Q179 PolarHBondContact O-NE2 3.32Å; D46-Q179 WeakPolarHBondContact OD1-CA 3.46Å; N148-Q179 PolarHBondContact O-N 3.34Å; C149-Q179 CarbonylContact C-O 3.38Å; C149-Q179 WeakPolarHBondContact CA-O 3.34Å; L150-Q179 PolarHBondContact N-O 3.46Å; Q179-L181 HydrophobicContact CG-CD2 4.18Å
180T92Very high82.3Confident1 Ų149.5 Ų49.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-119.6127.6176.2-53.20000111.6D46 V47 L150 R178 S198 L199D46-T180 VanDerWaalsContact CA-O 3.32Å; D46-T180 WeakPolarHBondContact CA-O 3.37Å; D46-T180 WeakPolarHBondContact CB-O 3.44Å; D46-T180 PolarHBondContact OD1-N 3.1Å; V47-T180 PolarHBondContact N-O 2.74Å; L150-T180 HydrophobicContact CB-CG2 4.18Å; L150-T180 HydrophobicContact CD2-CG2 3.83Å; L150-T180 HydrophobicContact CG-CG2 4.06Å; L150-T180 CarbonylContact O-C 3.52Å; L150-T180 VanDerWaalsContact O-CA 3.28Å; L150-T180 WeakPolarHBondContact O-CA 3.45Å; R178-T180 PolarHBondContact NE-OG1 3.12Å; T180-S198 PolarHBondContact OG1-O 2.91Å; T180-L199 VanDerWaalsContact CB-CD2 3.41Å; T180-L199 HydrophobicContact CG2-CD2 3.32Å; T180-L199 WeakPolarHBondContact O-CD2 3.27Å
181L92.6Very high82.1Confident0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-115.2113.5178.5-52.5-179.5000109.8A41 V47 F61 P64 L150 V151 L152 Q179 Y183A41-L181 HydrophobicContact CB-CD1 4.36Å; A41-L181 HydrophobicContact CB-CD2 3.98Å; V47-L181 HydrophobicContact CB-CD2 3.87Å; V47-L181 HydrophobicContact CG2-CD2 4.01Å; F61-L181 HydrophobicContact CB-CD1 4.16Å; P64-L181 HydrophobicContact CB-CD1 4.42Å; L150-L181 PolarHBondContact O-N 3.32Å; V151-L181 CarbonylContact C-O 3.45Å; V151-L181 VanDerWaalsContact CA-O 3.26Å; V151-L181 WeakPolarHBondContact CA-O 3.44Å; V151-L181 HydrophobicContact CG1-CB 4.42Å; V151-L181 HydrophobicContact CG2-CB 4.19Å; V151-L181 HydrophobicContact CG2-CD1 4.18Å; V151-L181 HydrophobicContact CG2-CG 4.49Å; L152-L181 PolarHBondContact N-O 3.04Å; Q179-L181 HydrophobicContact CG-CD2 4.18Å; L181-Y183 HydrophobicContact CB-CD2 4.37Å; L181-Y183 HydrophobicContact CB-CE2 3.94Å
182L92.4Very high82Confident0 Ų049.2 Ų49.20%028%0.277CS..EExtended strand (participates in β ladder)trans-106.7121.8178.9-169.2162.3000109.6V47 L48 G49 L152 A155 V191 L194 A195 L199V47-L182 PolarHBondContact O-N 2.59Å; L48-L182 CarbonylContact C-O 3.58Å; L48-L182 WeakPolarHBondContact CA-O 3.47Å; L48-L182 HydrophobicContact CD1-CD2 4.48Å; L48-L182 HydrophobicContact CG-CD2 4.1Å; G49-L182 PolarHBondContact N-O 3.36Å; L152-L182 HydrophobicContact CB-CG 4.35Å; L152-L182 HydrophobicContact CD1-CD1 4.3Å; L152-L182 HydrophobicContact CD1-CG 4.45Å; A155-L182 HydrophobicContact CB-CD1 4.22Å; A155-L182 HydrophobicContact CB-CD2 3.65Å; A155-L182 HydrophobicContact CB-CG 3.78Å; L182-V191 HydrophobicContact CD2-CG1 3.75Å; L182-L194 HydrophobicContact CD1-CD2 3.35Å; L182-L194 HydrophobicContact CG-CD2 4.5Å; L182-A195 HydrophobicContact CD1-CB 4.1Å; L182-L199 HydrophobicContact CB-CD1 4.27Å; L182-L199 HydrophobicContact CB-CD2 4.42Å
183Y90.9Very high81.9Confident0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-119.8132.8175.8-75.1-90.7000111.2I33 G49 K57 A60 F61 L152 E154 A155 L181I33-Y183 HydrophobicContact CG1-CE1 4.37Å; G49-Y183 WeakPolarHBondContact O-CA 3.32Å; K57-Y183 HydrophobicContact CB-CD1 4.24Å; K57-Y183 HydrophobicContact CD-CD1 4.36Å; K57-Y183 HydrophobicContact CG-CD1 4.39Å; A60-Y183 HydrophobicContact CB-CE1 3.85Å; A60-Y183 PolarHBondContact O-OH 3.43Å; F61-Y183 HydrophobicContact CB-CD2 3.9Å; F61-Y183 HydrophobicContact CB-CE2 3.51Å; F61-Y183 AromaticContact CD1-CD2 3.79Å; F61-Y183 HydrophobicContact CD1-CD2 3.79Å; F61-Y183 HydrophobicContact CD1-CE2 4.18Å; F61-Y183 HydrophobicContact CD1-CG 4.12Å; F61-Y183 HydrophobicContact CG-CD2 4.28Å; F61-Y183 HydrophobicContact CG-CE2 4.34Å; L152-Y183 PolarHBondContact O-N 2.97Å; E154-Y183 WeakPolarHBondContact CA-O 3.27Å; E154-Y183 PolarHBondContact N-O 3.48Å; A155-Y183 PolarHBondContact N-O 3.31Å; L181-Y183 HydrophobicContact CB-CD2 4.37Å; L181-Y183 HydrophobicContact CB-CE2 3.94Å
184S86.9Confident81.9Confident1 Ų144.2 Ų44.21%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-145.3158178-177.80000112G49 A51 D156 T186G49-S184 PolarHBondContact O-N 3.32Å; A51-S184 PolarHBondContact N-O 2.97Å; A51-S184 VanDerWaalsContact N-O 3.16Å; D156-S184 WeakPolarHBondContact CB-OG 3.34Å; D156-S184 PolarHBondContact OD1-OG 3.45Å; D156-S184 PolarHBondContact OD2-OG 3.28Å; S184-T186 PolarHBondContact OG-N 2.72Å; S184-T186 PolarHBondContact OG-O 2.78Å
185A79Confident81.8Confident22 Ų2243.6 Ų43.618%0.18224%0.236CC..SBendtrans-80.7-28.1171.200000112.9A51 T53 H332A51-A185 WeakPolarHBondContact O-CA 3.23Å; T53-A185 HydrophobicContact CG2-CB 4.19Å; A185-H332 WeakPolarHBondContact CB-NE2 3.32Å
186T73.1Confident81.6Confident21 Ų2150.4 Ų50.413%0.12926%0.257CS..  trans-125.2153.4-175.460.10000111.1D156 S184D156-T186 WeakPolarHBondContact CB-OG1 3.48Å; D156-T186 PolarHBondContact OD2-OG1 3.41Å; S184-T186 PolarHBondContact OG-N 2.72Å; S184-T186 PolarHBondContact OG-O 2.78Å
187Q71.6Confident81.5Confident99 Ų9949.8 Ų49.846%0.46325%0.248SC..  trans-108.972.3174.8-67.9-170.871.600109A50 S206A50-Q187 HydrophobicContact CB-CG 3.41Å; A50-Q187 VanDerWaalsContact CB-CG 3.41Å; Q187-S206 PolarHBondContact NE2-OG 3.09Å
188T72.9Confident81.2Confident32 Ų3243.2 Ų43.220%0.19621%0.213CC..  trans-80.7158.5174.760.90000110.5S190 V191 T192T188-S190 PolarHBondContact O-N 3.43Å; T188-S190 PolarHBondContact OG1-OG 3.09Å; T188-V191 PolarHBondContact O-N 2.82Å; T188-V191 VanDerWaalsContact O-N 3.09Å; T188-V191 WeakPolarHBondContact OG1-CG2 3.49Å; T188-V191 PolarHBondContact OG1-N 2.95Å; T188-T192 PolarHBondContact O-N 3.22Å; T188-T192 PolarHBondContact O-OG1 2.83Å
189K73.8Confident80.8Confident179 Ų17942.3 Ų42.378%0.77821%0.211SC*.Hα-helixtrans-54.5-39.8172.6-67.7-176.9178.2-178.80111.8V191 T192 D193K189-V191 VanDerWaalsContact C-N 3.33Å; K189-V191 PolarHBondContact O-N 3.02Å; K189-T192 CarbonylContact O-C 3.57Å; K189-T192 WeakPolarHBondContact O-CA 3.28Å; K189-T192 WeakPolarHBondContact O-CB 3.37Å; K189-T192 PolarHBondContact O-N 3.3Å; K189-T192 VanDerWaalsContact O-N 3.09Å; K189-D193 VanDerWaalsContact O-CG 3.26Å; K189-D193 PolarHBondContact O-N 2.86Å
190S74.4Confident80.5Confident51 Ų5147.5 Ų47.536%0.35724%0.239SC..Hα-helixtrans-62.3-37.9178.557.40000112.7L159 T188 D193 L194L159-S190 VanDerWaalsContact CD1-C 3.49Å; L159-S190 VanDerWaalsContact CD1-O 3.3Å; L159-S190 WeakPolarHBondContact CD1-O 3.35Å; T188-S190 PolarHBondContact O-N 3.43Å; T188-S190 PolarHBondContact OG1-OG 3.09Å; S190-D193 PolarHBondContact O-N 2.9Å; S190-L194 WeakPolarHBondContact O-CB 3.46Å; S190-L194 PolarHBondContact O-N 3.26Å
191V77.3Confident80Confident1 Ų155.6 Ų55.61%0.00628%0.277CS..Hα-helixtrans-67.9-39.7172.5172.40000111.2D156 L159 L182 T188 K189 D193 L194 A195D156-V191 HydrophobicContact CB-CG2 3.66Å; L159-V191 HydrophobicContact CD1-CG2 4.23Å; L182-V191 HydrophobicContact CD2-CG1 3.75Å; T188-V191 PolarHBondContact O-N 2.82Å; T188-V191 VanDerWaalsContact O-N 3.09Å; T188-V191 WeakPolarHBondContact OG1-CG2 3.49Å; T188-V191 PolarHBondContact OG1-N 2.95Å; K189-V191 VanDerWaalsContact C-N 3.33Å; K189-V191 PolarHBondContact O-N 3.02Å; V191-D193 VanDerWaalsContact C-N 3.32Å; V191-D193 PolarHBondContact O-N 2.86Å; V191-L194 PolarHBondContact O-N 3.35Å; V191-A195 VanDerWaalsContact O-CB 3.26Å; V191-A195 WeakPolarHBondContact O-CB 3.27Å; V191-A195 PolarHBondContact O-N 2.71Å
192T78.9Confident79.8Confident44 Ų4456.9 Ų56.927%0.2729%0.285SS..Hα-helixtrans-63-39.7174.9-46.80000111.8T188 K189 A195 R196T188-T192 PolarHBondContact O-N 3.22Å; T188-T192 PolarHBondContact O-OG1 2.83Å; K189-T192 CarbonylContact O-C 3.57Å; K189-T192 WeakPolarHBondContact O-CA 3.28Å; K189-T192 WeakPolarHBondContact O-CB 3.37Å; K189-T192 PolarHBondContact O-N 3.3Å; K189-T192 VanDerWaalsContact O-N 3.09Å; T192-A195 WeakPolarHBondContact O-CB 3.35Å; T192-A195 PolarHBondContact O-N 2.84Å; T192-R196 WeakPolarHBondContact O-CG 3.3Å; T192-R196 PolarHBondContact O-N 3.07Å
193D80Confident79.6Confident78 Ų7859 Ų5942%0.41730%0.298SS..Hα-helixtrans-70.1-41.1177.5-66.2-30.4000111.2K189 S190 V191 A195 R196 L197K189-D193 VanDerWaalsContact O-CG 3.26Å; K189-D193 PolarHBondContact O-N 2.86Å; S190-D193 PolarHBondContact O-N 2.9Å; V191-D193 VanDerWaalsContact C-N 3.32Å; V191-D193 PolarHBondContact O-N 2.86Å; D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 3.35Å; D193-R196 PolarHBondContact O-N 3.49Å; D193-R196 IonicContact OD1-NH1 3.1Å; D193-R196 PolarHBondContact OD1-NH1 2.89Å; D193-L197 WeakPolarHBondContact O-CG 3.36Å; D193-L197 PolarHBondContact O-N 3.36Å
194L79.8Confident79.5Confident12 Ų1264.9 Ų64.96%0.06332%0.321CS..Hα-helixtrans-59.7-45171.3-174.7155.2000110.8L152 L159 L167 L182 S190 V191 R196 L197 S198L152-L194 HydrophobicContact CD1-CD2 3.44Å; L152-L194 VanDerWaalsContact CD1-CD2 3.44Å; L159-L194 HydrophobicContact CD1-CB 3.95Å; L159-L194 HydrophobicContact CD1-CD1 3.84Å; L159-L194 HydrophobicContact CD2-CD1 3.59Å; L159-L194 HydrophobicContact CG-CD1 3.74Å; L167-L194 HydrophobicContact CD1-CD1 3.57Å; L182-L194 HydrophobicContact CD1-CD2 3.35Å; L182-L194 HydrophobicContact CG-CD2 4.5Å; S190-L194 WeakPolarHBondContact O-CB 3.46Å; S190-L194 PolarHBondContact O-N 3.26Å; V191-L194 PolarHBondContact O-N 3.35Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.35Å; L194-L197 PolarHBondContact O-N 3.18Å; L194-S198 PolarHBondContact O-N 2.82Å; L194-S198 PolarHBondContact O-OG 3.39Å; L194-S198 VanDerWaalsContact O-OG 3.09Å
195A78.7Confident79.4Confident0 Ų065.2 Ų65.20%032%0.323CS..Hα-helixtrans-58.1-39.9178.100000112L48 L182 V191 T192 D193 L197 S198 L199L48-A195 HydrophobicContact CD1-CB 3.5Å; L182-A195 HydrophobicContact CD1-CB 4.1Å; V191-A195 VanDerWaalsContact O-CB 3.26Å; V191-A195 WeakPolarHBondContact O-CB 3.27Å; V191-A195 PolarHBondContact O-N 2.71Å; T192-A195 WeakPolarHBondContact O-CB 3.35Å; T192-A195 PolarHBondContact O-N 2.84Å; D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 3.35Å; A195-L197 VanDerWaalsContact C-N 3.28Å; A195-L197 PolarHBondContact O-N 2.88Å; A195-S198 PolarHBondContact O-N 3.37Å; A195-L199 HydrophobicContact CB-CD1 3.71Å; A195-L199 HydrophobicContact CB-CG 4.33Å; A195-L199 WeakPolarHBondContact O-CB 3.48Å; A195-L199 VanDerWaalsContact O-CG 3.3Å; A195-L199 WeakPolarHBondContact O-CG 3.47Å; A195-L199 PolarHBondContact O-N 3.06Å
196R78.7Confident79.6Confident176 Ų17665.7 Ų65.766%0.66433%0.325SS*.Hα-helixtrans-66.1-28.6176.1-72.6168.4177.5174-5.6113.6T192 D193 L194T192-R196 WeakPolarHBondContact O-CG 3.3Å; T192-R196 PolarHBondContact O-N 3.07Å; D193-R196 PolarHBondContact O-N 3.49Å; D193-R196 IonicContact OD1-NH1 3.1Å; D193-R196 PolarHBondContact OD1-NH1 2.89Å; L194-R196 VanDerWaalsContact C-N 3.27Å; L194-R196 PolarHBondContact O-N 3.35Å
197L76.6Confident79.8Confident126 Ų12665.6 Ų65.666%0.6633%0.325SS*.Hα-helixtrans-83.8-32.5178.7-67.7172.7000112.3D193 L194 A195D193-L197 WeakPolarHBondContact O-CG 3.36Å; D193-L197 PolarHBondContact O-N 3.36Å; L194-L197 PolarHBondContact O-N 3.18Å; A195-L197 VanDerWaalsContact C-N 3.28Å; A195-L197 PolarHBondContact O-N 2.88Å
198S78Confident79.7Confident6 Ų663.4 Ų63.44%0.04231%0.314CS..Hα-helixtrans-102.2-26.6-171.366.80000115.1R178 T180 L194 A195R178-S198 PolarHBondContact NH2-O 3.5Å; T180-S198 PolarHBondContact OG1-O 2.91Å; L194-S198 PolarHBondContact O-N 2.82Å; L194-S198 PolarHBondContact O-OG 3.39Å; L194-S198 VanDerWaalsContact O-OG 3.09Å; A195-S198 PolarHBondContact O-N 3.37Å
199L79.5Confident79.3Confident19 Ų1967.9 Ų67.910%0.09933%0.333CS..  trans-105.3148.1-170.9-51.7178000111.9D46 L48 T180 L182 A195 P202D46-L199 HydrophobicContact CB-CB 4.36Å; D46-L199 HydrophobicContact CB-CD2 4.34Å; D46-L199 VanDerWaalsContact OD2-CA 3.31Å; D46-L199 WeakPolarHBondContact OD2-CA 3.41Å; L48-L199 HydrophobicContact CB-CD1 4.21Å; L48-L199 HydrophobicContact CD1-CD1 4.45Å; T180-L199 VanDerWaalsContact CB-CD2 3.41Å; T180-L199 HydrophobicContact CG2-CD2 3.32Å; T180-L199 WeakPolarHBondContact O-CD2 3.27Å; L182-L199 HydrophobicContact CB-CD1 4.27Å; L182-L199 HydrophobicContact CB-CD2 4.42Å; A195-L199 HydrophobicContact CB-CD1 3.71Å; A195-L199 HydrophobicContact CB-CG 4.33Å; A195-L199 WeakPolarHBondContact O-CB 3.48Å; A195-L199 VanDerWaalsContact O-CG 3.3Å; A195-L199 WeakPolarHBondContact O-CG 3.47Å; A195-L199 PolarHBondContact O-N 3.06Å; L199-P202 HydrophobicContact CB-CB 3.86Å; L199-P202 HydrophobicContact CB-CG 3.86Å; L199-P202 HydrophobicContact CD1-CB 3.5Å; L199-P202 HydrophobicContact CD1-CG 3.84Å; L199-P202 HydrophobicContact CG-CB 4.24Å; L199-P202 HydrophobicContact CG-CG 4.47Å
200N82.6Confident78.5Confident129 Ų12969.5 Ų69.569%0.6934%0.336SS*.SBendtrans-110116.1170.7-170.420.8000110D46D46-N200 PolarHBondContact OD2-N 3.43Å
201E83.3Confident78Confident172 Ų17268.7 Ų68.780%0.80433%0.33SS*.SBendtrans41.759.5-177.4-63.2-171.8165.300114.6
202P87.2Confident77.3Confident26 Ų2676.2 Ų76.217%0.16936%0.363CS..PPolyproline II helixtrans-70.9144.6-172.229.3-35.9000113.2D46 L199 Y204D46-P202 HydrophobicContact CB-CB 4.16Å; D46-P202 WeakPolarHBondContact O-CA 3.3Å; L199-P202 HydrophobicContact CB-CB 3.86Å; L199-P202 HydrophobicContact CB-CG 3.86Å; L199-P202 HydrophobicContact CD1-CB 3.5Å; L199-P202 HydrophobicContact CD1-CG 3.84Å; L199-P202 HydrophobicContact CG-CB 4.24Å; L199-P202 HydrophobicContact CG-CG 4.47Å; P202-Y204 HydrophobicContact CG-CE2 3.91Å; P202-Y204 WeakPolarHBondContact O-CD2 3.31Å
203V89Confident77Confident45 Ų4577 Ų7727%0.27336%0.362SS..EExtended strand (participates in β ladder)trans-83.7118.6166.7-174.20000109.2L40 F45 D46 L48 I205L40-V203 HydrophobicContact CD1-CB 4.43Å; L40-V203 HydrophobicContact CD1-CG1 3.69Å; F45-V203 HydrophobicContact CB-CG2 3.99Å; F45-V203 HydrophobicContact CD1-CG2 4.16Å; F45-V203 HydrophobicContact CG-CG2 4.08Å; D46-V203 PolarHBondContact O-N 3.13Å; L48-V203 PolarHBondContact N-O 3.24Å; V203-I205 HydrophobicContact CG1-CG1 4.34Å
204Y87.7Confident76.7Confident123 Ų12375.2 Ų75.248%0.48236%0.356SS..EExtended strand (participates in β ladder)trans-83.5123.4177.2-64.3-92.5000110.2L48 P202L48-Y204 HydrophobicContact CB-CD1 3.96Å; L48-Y204 HydrophobicContact CB-CE1 4.28Å; L48-Y204 HydrophobicContact CD1-CD1 3.94Å; L48-Y204 HydrophobicContact CD1-CE1 3.64Å; L48-Y204 HydrophobicContact CD2-CD1 4.27Å; L48-Y204 HydrophobicContact CG-CD1 4.26Å; L48-Y204 HydrophobicContact CG-CE1 4.42Å; P202-Y204 HydrophobicContact CG-CE2 3.91Å; P202-Y204 WeakPolarHBondContact O-CD2 3.31Å
205I86.1Confident76.4Confident8 Ų874.8 Ų74.84%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-121109.8178.9-53.7179.6000107.9I33 E36 G37 L40 V47 L48 A50 V203 V207I33-I205 HydrophobicContact CD1-CB 4.4Å; I33-I205 HydrophobicContact CD1-CG2 3.72Å; E36-I205 HydrophobicContact CB-CG2 3.65Å; E36-I205 WeakPolarHBondContact OE2-CG2 3.34Å; G37-I205 VanDerWaalsContact CA-CD1 3.44Å; L40-I205 HydrophobicContact CD1-CD1 3.57Å; L40-I205 HydrophobicContact CD1-CG1 4.1Å; V47-I205 HydrophobicContact CG1-CD1 3.57Å; V47-I205 HydrophobicContact CG1-CG1 4.16Å; L48-I205 PolarHBondContact O-N 3.15Å; A50-I205 PolarHBondContact N-O 3.38Å; V203-I205 HydrophobicContact CG1-CG1 4.34Å; I205-V207 HydrophobicContact CG2-CG2 4.34Å
206S83.4Confident76.3Confident32 Ų3276 Ų7622%0.22436%0.362CS..EExtended strand (participates in β ladder)trans-125.697.1178.3-162.60000111.4Q187 H208Q187-S206 PolarHBondContact NE2-OG 3.09Å; S206-H208 VanDerWaalsContact C-N 3.28Å; S206-H208 PolarHBondContact O-N 2.91Å
207V75.6Confident76.2Confident20 Ų2073.8 Ų73.812%0.12136%0.363CS..THydrogen-bonded Turntrans-71.6-25.2-174.6176.30000112.5E32 I33 E36 I205E32-V207 HydrophobicContact CB-CG1 3.72Å; E32-V207 HydrophobicContact CG-CG1 3.41Å; E32-V207 VanDerWaalsContact CG-CG1 3.41Å; E32-V207 HydrophobicContact CG-CG2 4.34Å; E32-V207 WeakPolarHBondContact OE2-CG1 3.47Å; I33-V207 HydrophobicContact CB-CG2 3.86Å; I33-V207 HydrophobicContact CD1-CG2 3.67Å; I33-V207 HydrophobicContact CG1-CG2 4.36Å; E36-V207 WeakPolarHBondContact OE2-CG2 3.48Å; I205-V207 HydrophobicContact CG2-CG2 4.34Å
208H70.1Confident76.6Confident53 Ų5374.1 Ų74.125%0.24536%0.356CS..THydrogen-bonded Turntrans-121.213.5-169.6-60.4-56.2000114.4K52 S206 Y210 S211K52-H208 HydrophobicContact CD-CB 4.33Å; K52-H208 HydrophobicContact CG-CB 4.31Å; K52-H208 PolarHBondContact N-CD2 2.87Å; S206-H208 VanDerWaalsContact C-N 3.28Å; S206-H208 PolarHBondContact O-N 2.91Å; H208-Y210 PolarHBondContact O-N 3.29Å; H208-S211 WeakPolarHBondContact O-CB 3.24Å; H208-S211 PolarHBondContact O-N 2.71Å; H208-S211 PolarHBondContact O-OG 2.84Å
209E64.3Low77.1Confident125 Ų12574.4 Ų74.458%0.58436%0.357SS*.THydrogen-bonded Turntrans-55.3-38.6179.5-166170.1179.900112.2
210Y57.4Low77.6Confident213 Ų21376.4 Ų76.484%0.83537%0.368SS*.THydrogen-bonded Turntrans-91.86179.2-55.8-76.3000114.2H208 K212H208-Y210 PolarHBondContact O-N 3.29Å; Y210-K212 PolarHBondContact O-N 3.4Å
211S63.3Low78.1Confident35 Ų3570.4 Ų70.425%0.24534%0.335CS..  trans-66.7137.3-178.167.30000111.3K52 H208 F213K52-S211 WeakPolarHBondContact CE-OG 3.41Å; K52-S211 PolarHBondContact NZ-OG 3.31Å; H208-S211 WeakPolarHBondContact O-CB 3.24Å; H208-S211 PolarHBondContact O-N 2.71Å; H208-S211 PolarHBondContact O-OG 2.84Å; S211-F213 PolarHBondContact O-N 3.36Å; S211-F213 PolarHBondContact OG-O 3.17Å
212K63.4Low78.7Confident159 Ų15965 Ų6569%0.69131%0.309SS*.SBendtrans-60-34-177.5-175.1176.5178-1800112.3Y210Y210-K212 PolarHBondContact O-N 3.4Å
213F72.1Confident79.1Confident59 Ų5965.3 Ų65.326%0.25931%0.308SS..SBendtrans-127.6143.8-177-54.9-62.9000110.6K52 S211 T215 K365 P367K52-F213 PolarHBondContact NZ-O 3.12Å; S211-F213 PolarHBondContact O-N 3.36Å; S211-F213 PolarHBondContact OG-O 3.17Å; F213-T215 PolarHBondContact O-N 3.33Å; F213-K365 WeakPolarHBondContact CA-O 3.44Å; F213-P367 HydrophobicContact CD1-CB 4.12Å; F213-P367 HydrophobicContact CD1-CG 3.77Å; F213-P367 HydrophobicContact CE1-CB 3.89Å; F213-P367 HydrophobicContact CE1-CG 4Å; F213-P367 HydrophobicContact CG-CG 4.04Å; F213-P367 HydrophobicContact CZ-CB 4.4Å; F213-P367 HydrophobicContact CZ-CG 4.46Å
214S73.2Confident79.3Confident42 Ų4263.2 Ų63.229%0.29430%0.295SS..SBendtrans-71.1-18.7177.9-55.80000112.6K52 A364 K365K52-S214 WeakPolarHBondContact CE-O 3.49Å; S214-A364 PolarHBondContact OG-O 2.81Å; S214-K365 PolarHBondContact N-O 2.89Å
215T75.3Confident79.7Confident2 Ų260.1 Ų60.11%0.01229%0.289CS..SBendtrans-100.8168.4179.6550000112.2K52 F213 Q221 I331 V366K52-T215 PolarHBondContact NZ-O 3.01Å; F213-T215 PolarHBondContact O-N 3.33Å; T215-Q221 PolarHBondContact OG1-NE2 3.21Å; T215-I331 HydrophobicContact CG2-CG1 4.22Å; T215-V366 HydrophobicContact CG2-CG1 4.25Å; T215-V366 HydrophobicContact CG2-CG2 4.37Å
216P75.6Confident80Confident27 Ų2760.2 Ų60.218%0.17529%0.29CS..  trans-62.4142172.6-21.333.5000112R218 L219 A338P216-R218 VanDerWaalsContact C-N 3.26Å; P216-R218 PolarHBondContact O-N 3.44Å; P216-L219 HydrophobicContact CB-CB 4.42Å; P216-L219 VanDerWaalsContact O-CB 3.25Å; P216-L219 WeakPolarHBondContact O-CB 3.42Å; P216-L219 PolarHBondContact O-N 3.09Å; P216-A338 HydrophobicContact CB-CB 4.25Å
217D77.4Confident80.4Confident128 Ų12860.1 Ų60.168%0.68429%0.291SS*.THydrogen-bonded Turntrans-67.5-24.6-176.1-60.9-38.7000113.6L219D217-L219 VanDerWaalsContact C-N 3.26Å; D217-L219 PolarHBondContact O-N 3.11Å
218R84.1Confident81.2Confident133 Ų13360.4 Ų60.450%0.50229%0.291SS..THydrogen-bonded Turntrans-87.28.1-179.8-61-176.7-174.5-167.23.7113.5P216 A338 V341 G344P216-R218 VanDerWaalsContact C-N 3.26Å; P216-R218 PolarHBondContact O-N 3.44Å; R218-A338 HydrophobicContact CB-CB 4.4Å; R218-V341 VanDerWaalsContact NH1-C 3.32Å; R218-V341 VanDerWaalsContact NH1-CA 3.31Å; R218-V341 PolarHBondContact NH1-O 2.77Å; R218-G344 PolarHBondContact O-N 3.44Å
219L87.6Confident82.2Confident12 Ų1260.9 Ų60.96%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-94.6114.3-179-174.264.1000110.6P216 D217 Q221 T337 A338 A346P216-L219 HydrophobicContact CB-CB 4.42Å; P216-L219 VanDerWaalsContact O-CB 3.25Å; P216-L219 WeakPolarHBondContact O-CB 3.42Å; P216-L219 PolarHBondContact O-N 3.09Å; D217-L219 VanDerWaalsContact C-N 3.26Å; D217-L219 PolarHBondContact O-N 3.11Å; L219-Q221 HydrophobicContact CB-CG 4.37Å; L219-Q221 HydrophobicContact CD2-CG 3.65Å; L219-Q221 HydrophobicContact CG-CG 3.56Å; L219-T337 HydrophobicContact CD1-CG2 3.39Å; L219-A338 HydrophobicContact CB-CB 3.91Å; L219-A338 HydrophobicContact CD1-CB 4Å; L219-A346 HydrophobicContact CD1-CB 4.15Å
220D91.7Very high83.5Confident62 Ų6258 Ų5833%0.33228%0.282SS..EExtended strand (participates in β ladder)trans-83.2119.1169.7179.724.4000109.4K222 G344 R345 A346D220-K222 IonicContact OD1-NZ 3.53Å; D220-K222 IonicContact OD2-NZ 3.67Å; D220-K222 PolarHBondContact OD2-NZ 3.3Å; D220-G344 PolarHBondContact N-O 2.8Å; D220-R345 HydrophobicContact CB-CG 4.23Å; D220-R345 CarbonylContact O-C 3.54Å; D220-R345 VanDerWaalsContact O-CA 3.31Å; D220-R345 WeakPolarHBondContact O-CA 3.49Å; D220-A346 PolarHBondContact O-N 3.38Å
221Q93.2Very high85.3Confident2 Ų248.3 Ų48.31%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-119121.6-169.4-62.6174.588.800110.8T215 L219 Y330 A346 I368 T369T215-Q221 PolarHBondContact OG1-NE2 3.21Å; L219-Q221 HydrophobicContact CB-CG 4.37Å; L219-Q221 HydrophobicContact CD2-CG 3.65Å; L219-Q221 HydrophobicContact CG-CG 3.56Å; Q221-Y330 PolarHBondContact OE1-OH 3.14Å; Q221-A346 HydrophobicContact CG-CB 4.37Å; Q221-I368 HydrophobicContact CB-CB 4.47Å; Q221-I368 HydrophobicContact CB-CG1 4.27Å; Q221-T369 PolarHBondContact O-N 3.33Å; Q221-T369 PolarHBondContact O-OG1 3.36Å
222K94.6Very high86.7Confident59 Ų5947.5 Ų47.526%0.25724%0.237SC..EExtended strand (participates in β ladder)trans-129.6153.6-177.5-77.2160.3178.1157.10111.2D220 A346 L347 L348 T369 T371D220-K222 IonicContact OD1-NZ 3.53Å; D220-K222 IonicContact OD2-NZ 3.67Å; D220-K222 PolarHBondContact OD2-NZ 3.3Å; K222-A346 PolarHBondContact N-O 3.33Å; K222-L347 HydrophobicContact CB-CD1 3.88Å; K222-L347 CarbonylContact O-C 3.55Å; K222-L347 WeakPolarHBondContact O-CA 3.49Å; K222-L348 PolarHBondContact O-N 2.91Å; K222-T369 CarbonylContact C-O 3.51Å; K222-T369 WeakPolarHBondContact CA-O 3.42Å; K222-T369 WeakPolarHBondContact CG-OG1 3.48Å; K222-T371 WeakPolarHBondContact CB-OG1 3.31Å; K222-T371 VanDerWaalsContact CD-OG1 3.28Å; K222-T371 WeakPolarHBondContact CD-OG1 3.47Å; K222-T371 VanDerWaalsContact CG-OG1 3.29Å; K222-T371 WeakPolarHBondContact CG-OG1 3.42Å
223Y95.6Very high88.2Confident33 Ų3340.4 Ų40.413%0.12921%0.206CC..EExtended strand (participates in β ladder)trans-123154.4165.775-87000111.1V225 L348 V350 V358 I368 T369 E370 T371Y223-V225 HydrophobicContact CD2-CG2 4.31Å; Y223-V225 HydrophobicContact CE2-CG2 4.07Å; Y223-L348 CarbonylContact C-O 3.46Å; Y223-L348 WeakPolarHBondContact CA-O 3.35Å; Y223-L348 WeakPolarHBondContact CB-O 3.43Å; Y223-V350 HydrophobicContact CD2-CG2 4.03Å; Y223-V358 HydrophobicContact CD1-CG1 3.81Å; Y223-V358 HydrophobicContact CD1-CG2 4.38Å; Y223-V358 HydrophobicContact CD2-CG2 4.12Å; Y223-V358 HydrophobicContact CE1-CG1 3.65Å; Y223-V358 HydrophobicContact CE2-CG2 4.42Å; Y223-V358 HydrophobicContact CG-CG1 4.36Å; Y223-V358 HydrophobicContact CG-CG2 4.1Å; Y223-I368 HydrophobicContact CD1-CD1 4.27Å; Y223-I368 HydrophobicContact CD1-CG1 4.09Å; Y223-T369 WeakPolarHBondContact CD1-O 3.47Å; Y223-T369 PolarHBondContact N-O 2.95Å; Y223-E370 HydrophobicContact CD1-CB 4.37Å; Y223-E370 HydrophobicContact CD2-CG 4.22Å; Y223-E370 VanDerWaalsContact CE1-CA 3.47Å; Y223-E370 HydrophobicContact CE1-CB 3.65Å; Y223-E370 HydrophobicContact CE1-CG 4.2Å; Y223-E370 HydrophobicContact CE2-CB 3.95Å; Y223-E370 HydrophobicContact CE2-CG 3.54Å; Y223-E370 VanDerWaalsContact CZ-CB 3.4Å; Y223-E370 WeakPolarHBondContact OH-CB 3.47Å; Y223-E370 PolarHBondContact OH-OE2 3.07Å; Y223-T371 PolarHBondContact O-N 3.23Å
224A94.5Very high89.2Confident1 Ų138.4 Ų38.41%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-134.4138.3172.700000109.7L347 L348 V350 I373A224-L347 HydrophobicContact CB-CD1 4.25Å; A224-L348 PolarHBondContact N-O 2.95Å; A224-V350 PolarHBondContact O-N 3.11Å; A224-I373 HydrophobicContact CB-CD1 3.75Å; A224-I373 HydrophobicContact CB-CG1 3.95Å
225V94.3Very high90.2Very high58 Ų5836.4 Ų36.435%0.35218%0.184SC..EExtended strand (participates in β ladder)trans-89.6118.7177.7-173.10000109Y223 V350 P352 T355Y223-V225 HydrophobicContact CD2-CG2 4.31Å; Y223-V225 HydrophobicContact CE2-CG2 4.07Å; V225-V350 CarbonylContact C-O 3.56Å; V225-V350 VanDerWaalsContact CA-O 3.3Å; V225-V350 WeakPolarHBondContact CA-O 3.21Å; V225-V350 HydrophobicContact CG2-CG2 4.04Å; V225-P352 HydrophobicContact CG1-CB 4.48Å; V225-P352 HydrophobicContact CG1-CG 3.95Å; V225-T355 HydrophobicContact CG2-CG2 4.49Å
226V93.1Very high91.1Very high10 Ų1037 Ų376%0.06119%0.186CC..  trans-134.8134.7-178.2-170.90000109.2D230 K231 F234 V349 V350 T351 I373V226-D230 HydrophobicContact CG1-CB 3.62Å; V226-K231 HydrophobicContact CG1-CG 4.44Å; V226-F234 HydrophobicContact CG1-CB 4.21Å; V226-F234 HydrophobicContact CG2-CD2 4.24Å; V226-F234 HydrophobicContact CG2-CG 4.21Å; V226-V349 HydrophobicContact CB-CG1 3.67Å; V226-V349 HydrophobicContact CG2-CG1 3.68Å; V226-V350 PolarHBondContact N-O 3.01Å; V226-T351 WeakPolarHBondContact O-CA 3.23Å; V226-T351 WeakPolarHBondContact O-CG2 3.44Å; V226-I373 HydrophobicContact CG2-CD1 3.21Å
227A92.4Very high92Very high30 Ų3036 Ų3625%0.24818%0.179CC..  trans-62.6153.9171.500000111E229 D230 K231A227-E229 VanDerWaalsContact C-N 3.27Å; A227-E229 HydrophobicContact CB-CG 4.27Å; A227-E229 PolarHBondContact O-N 2.82Å; A227-D230 PolarHBondContact O-N 3.29Å; A227-D230 VanDerWaalsContact O-N 3.09Å; A227-K231 PolarHBondContact O-N 2.95Å
228E91.5Very high92.7Very high25 Ų2530.6 Ų30.612%0.11715%0.15CC..G310 helixtrans-57.4-42.1-176.4-71.1-69.2176.200112D230 K231 T351 Y406 V429E228-D230 VanDerWaalsContact C-N 3.3Å; E228-D230 PolarHBondContact O-N 2.96Å; E228-K231 IonicContact OE1-NZ 3.23Å; E228-K231 VanDerWaalsContact OE2-CE 3.25Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 2.81Å; E228-K231 PolarHBondContact OE2-NZ 3.35Å; E228-T351 HydrophobicContact CG-CG2 3.79Å; E228-T351 WeakPolarHBondContact OE1-CG2 3.49Å; E228-Y406 PolarHBondContact OE1-OH 2.91Å; E228-Y406 PolarHBondContact OE2-OH 2.79Å; E228-V429 HydrophobicContact CB-CG2 3.64Å
229E91.6Very high93.2Very high63 Ų6324.3 Ų24.329%0.29413%0.126SC..G310 helixtrans-66.2-28.2179.258.2-93.3-132.900113.5A227 A428 S432A227-E229 VanDerWaalsContact C-N 3.27Å; A227-E229 HydrophobicContact CB-CG 4.27Å; A227-E229 PolarHBondContact O-N 2.82Å; E229-A428 HydrophobicContact CB-CB 3.94Å; E229-A428 HydrophobicContact CG-CB 4.23Å; E229-S432 WeakPolarHBondContact O-CB 3.44Å; E229-S432 PolarHBondContact O-OG 3.14Å; E229-S432 VanDerWaalsContact O-OG 3.11Å
230D92.5Very high93.4Very high65 Ų6530 Ų3035%0.34815%0.146SC..G310 helixtrans-88.9-10.9-175.8-77.2-40.5000113.7V226 A227 E228 L232 N233 F234V226-D230 HydrophobicContact CG1-CB 3.62Å; A227-D230 PolarHBondContact O-N 3.29Å; A227-D230 VanDerWaalsContact O-N 3.09Å; E228-D230 VanDerWaalsContact C-N 3.3Å; E228-D230 PolarHBondContact O-N 2.96Å; D230-L232 VanDerWaalsContact C-N 3.27Å; D230-L232 PolarHBondContact O-N 3.01Å; D230-N233 WeakPolarHBondContact O-CB 3.44Å; D230-N233 PolarHBondContact O-N 2.81Å; D230-N233 VanDerWaalsContact O-N 3.08Å; D230-F234 WeakPolarHBondContact O-CB 3.25Å; D230-F234 PolarHBondContact O-N 3.32Å
231K93.6Very high93.4Very high9 Ų931.7 Ų31.74%0.03916%0.156CC..Hα-helixtrans-51.9-42.7-179.2-76.2179.7170.6175.20113.2V226 A227 E228 F234 L235 L321 D322 V349 Y406V226-K231 HydrophobicContact CG1-CG 4.44Å; A227-K231 PolarHBondContact O-N 2.95Å; E228-K231 IonicContact OE1-NZ 3.23Å; E228-K231 VanDerWaalsContact OE2-CE 3.25Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 2.81Å; E228-K231 PolarHBondContact OE2-NZ 3.35Å; K231-F234 PolarHBondContact O-N 2.85Å; K231-L235 VanDerWaalsContact O-CB 3.32Å; K231-L235 WeakPolarHBondContact O-CB 3.26Å; K231-L235 PolarHBondContact O-N 3.08Å; K231-L321 HydrophobicContact CB-CD1 4.12Å; K231-L321 WeakPolarHBondContact CE-O 3.47Å; K231-D322 IonicContact NZ-OD1 3.77Å; K231-D322 PolarHBondContact NZ-OD1 3Å; K231-V349 HydrophobicContact CG-CG1 4.26Å; K231-Y406 PolarHBondContact NZ-OH 3.03Å
232L94.5Very high93.4Very high19 Ų1933.8 Ų33.810%0.09917%0.165CC..Hα-helixtrans-69.6-39.5-180-64.8-178.5000112.4D230 L235 W236 F259 V260 F264 I381 L385 A433D230-L232 VanDerWaalsContact C-N 3.27Å; D230-L232 PolarHBondContact O-N 3.01Å; L232-L235 PolarHBondContact O-N 2.98Å; L232-W236 WeakPolarHBondContact O-CB 3.16Å; L232-W236 PolarHBondContact O-N 3.04Å; L232-F259 HydrophobicContact CD1-CE1 4.1Å; L232-V260 HydrophobicContact CD2-CG2 3.89Å; L232-F264 HydrophobicContact CD2-CE2 4.5Å; L232-I381 HydrophobicContact CB-CD1 4.24Å; L232-L385 HydrophobicContact CD1-CD1 4.15Å; L232-A433 HydrophobicContact CD1-CB 4.36Å
233N93.3Very high93.3Very high10 Ų1033.2 Ų33.25%0.05317%0.167CC..Hα-helixtrans-64.9-44.5175.2-64.8-33.7000110.4D230 W236 S237 S380 I381D230-N233 WeakPolarHBondContact O-CB 3.44Å; D230-N233 PolarHBondContact O-N 2.81Å; D230-N233 VanDerWaalsContact O-N 3.08Å; N233-W236 PolarHBondContact O-N 3.23Å; N233-S237 PolarHBondContact O-N 2.93Å; N233-S380 WeakPolarHBondContact OD1-CA 3.21Å; N233-I381 VanDerWaalsContact OD1-CG1 3.3Å; N233-I381 WeakPolarHBondContact OD1-CG1 3.32Å; N233-I381 PolarHBondContact OD1-N 2.69Å
234F93.9Very high93.1Very high17 Ų1739.4 Ų39.48%0.07520%0.195CC..Hα-helixtrans-58.6-49.5175.2172.9-95.5000111.5V226 D230 K231 W236 S237 F238 L319 L321 L347 V349 I373 L378V226-F234 HydrophobicContact CG1-CB 4.21Å; V226-F234 HydrophobicContact CG2-CD2 4.24Å; V226-F234 HydrophobicContact CG2-CG 4.21Å; D230-F234 WeakPolarHBondContact O-CB 3.25Å; D230-F234 PolarHBondContact O-N 3.32Å; K231-F234 PolarHBondContact O-N 2.85Å; F234-W236 VanDerWaalsContact C-N 3.31Å; F234-W236 PolarHBondContact O-N 2.88Å; F234-S237 PolarHBondContact O-N 2.85Å; F234-F238 HydrophobicContact CZ-CD2 4.49Å; F234-F238 WeakPolarHBondContact O-CB 3.44Å; F234-F238 PolarHBondContact O-N 3.15Å; F234-L319 HydrophobicContact CE1-CD1 4.07Å; F234-L321 HydrophobicContact CD1-CD1 4.44Å; F234-L347 HydrophobicContact CE1-CD2 4.41Å; F234-L347 HydrophobicContact CZ-CD2 3.73Å; F234-V349 HydrophobicContact CD1-CG2 3.88Å; F234-V349 HydrophobicContact CE1-CG2 3.44Å; F234-V349 VanDerWaalsContact CE1-CG2 3.44Å; F234-V349 HydrophobicContact CZ-CG2 4.18Å; F234-I373 HydrophobicContact CD2-CD1 3.55Å; F234-I373 HydrophobicContact CD2-CG1 4.16Å; F234-I373 HydrophobicContact CD2-CG2 4.44Å; F234-I373 HydrophobicContact CE2-CD1 3.56Å; F234-I373 HydrophobicContact CE2-CG1 3.84Å; F234-L378 HydrophobicContact CB-CD2 4.3Å; F234-L378 HydrophobicContact CD2-CD2 4.3Å
235L94.9Very high93.1Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-58.1-44.4177.7-178.863.3000111.6K231 L232 F238 L239 I249 V260 F264 F301 L319 L321K231-L235 VanDerWaalsContact O-CB 3.32Å; K231-L235 WeakPolarHBondContact O-CB 3.26Å; K231-L235 PolarHBondContact O-N 3.08Å; L232-L235 PolarHBondContact O-N 2.98Å; L235-F238 PolarHBondContact O-N 3.45Å; L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CG 4.36Å; L235-L239 HydrophobicContact CG-CD1 4.16Å; L235-L239 VanDerWaalsContact O-CG 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.28Å; L235-L239 PolarHBondContact O-N 3.3Å; L235-I249 HydrophobicContact CD1-CD1 4.16Å; L235-I249 HydrophobicContact CD1-CG2 4Å; L235-V260 HydrophobicContact CD2-CG1 3.66Å; L235-F264 HydrophobicContact CB-CE1 4.3Å; L235-F264 HydrophobicContact CB-CZ 4.18Å; L235-F264 HydrophobicContact CD2-CE1 3.82Å; L235-F264 HydrophobicContact CD2-CE2 4.36Å; L235-F264 HydrophobicContact CD2-CZ 3.7Å; L235-F264 HydrophobicContact CG-CE1 3.76Å; L235-F264 HydrophobicContact CG-CZ 3.96Å; L235-F301 HydrophobicContact CD1-CE1 4.49Å; L235-F301 HydrophobicContact CD2-CE1 3.88Å; L235-L319 HydrophobicContact CD1-CD2 3.47Å; L235-L319 VanDerWaalsContact CD1-CD2 3.47Å; L235-L321 HydrophobicContact CB-CD1 4.03Å; L235-L321 HydrophobicContact CB-CD2 4.4Å; L235-L321 HydrophobicContact CD1-CD1 4.43Å; L235-L321 HydrophobicContact CD1-CD2 4.48Å; L235-L321 HydrophobicContact CD2-CD2 3.64Å; L235-L321 HydrophobicContact CG-CD2 4.39Å
236W94.2Very high93.1Very high15 Ų1538.8 Ų38.86%0.05719%0.189CC..Hα-helixtrans-60.2-50.7177.5174.4-99.3000112.4L232 N233 F234 F238 L239 R240 F264 L267 P269 I381L232-W236 WeakPolarHBondContact O-CB 3.16Å; L232-W236 PolarHBondContact O-N 3.04Å; N233-W236 PolarHBondContact O-N 3.23Å; F234-W236 VanDerWaalsContact C-N 3.31Å; F234-W236 PolarHBondContact O-N 2.88Å; W236-F238 VanDerWaalsContact C-N 3.28Å; W236-F238 PolarHBondContact O-N 3.21Å; W236-L239 PolarHBondContact O-N 3.17Å; W236-R240 HydrophobicContact CD2-CG 4.27Å; W236-R240 HydrophobicContact CZ2-CG 3.99Å; W236-R240 WeakPolarHBondContact O-CB 3.3Å; W236-R240 WeakPolarHBondContact O-CG 3.16Å; W236-R240 PolarHBondContact O-N 2.91Å; W236-F264 HydrophobicContact CB-CE1 4.03Å; W236-F264 HydrophobicContact CB-CZ 4.17Å; W236-F264 AromaticContact CE3-CD1 3.98Å; W236-F264 HydrophobicContact CE3-CD1 3.98Å; W236-F264 AromaticContact CE3-CE1 3.97Å; W236-F264 HydrophobicContact CE3-CE1 3.97Å; W236-L267 HydrophobicContact CE3-CB 4.16Å; W236-L267 HydrophobicContact CE3-CD1 4.1Å; W236-L267 HydrophobicContact CH2-CB 3.64Å; W236-L267 WeakPolarHBondContact CH2-O 3.45Å; W236-L267 HydrophobicContact CZ3-CB 3.33Å; W236-L267 HydrophobicContact CZ3-CD1 4.11Å; W236-L267 HydrophobicContact CZ3-CG 4.33Å; W236-P269 HydrophobicContact CE3-CB 4.34Å; W236-P269 HydrophobicContact CH2-CB 4.15Å; W236-P269 HydrophobicContact CZ3-CB 3.79Å; W236-P269 HydrophobicContact CZ3-CG 4.35Å; W236-I381 HydrophobicContact CB-CD1 4Å; W236-I381 HydrophobicContact CB-CG1 4.46Å; W236-I381 HydrophobicContact CB-CG2 3.92Å; W236-I381 HydrophobicContact CD2-CG2 3.64Å; W236-I381 HydrophobicContact CE3-CG2 4.41Å; W236-I381 HydrophobicContact CG-CD1 4.46Å; W236-I381 HydrophobicContact CG-CG2 3.35Å
237S92.7Very high93.2Very high6 Ų638.3 Ų38.34%0.04219%0.186CC..Hα-helixtrans-60.7-38.9176.1-79.30000112.1N233 F234 N241 K377 L378 F379N233-S237 PolarHBondContact O-N 2.93Å; F234-S237 PolarHBondContact O-N 2.85Å; S237-N241 WeakPolarHBondContact O-CB 3.29Å; S237-N241 VanDerWaalsContact O-CG 3.27Å; S237-N241 PolarHBondContact O-N 3.44Å; S237-N241 PolarHBondContact O-ND2 3.33Å; S237-N241 VanDerWaalsContact O-ND2 3.12Å; S237-K377 WeakPolarHBondContact CB-O 3.43Å; S237-K377 PolarHBondContact OG-O 2.95Å; S237-L378 WeakPolarHBondContact OG-CA 3.48Å; S237-F379 PolarHBondContact OG-N 3.23Å
238F93.5Very high93.4Very high14 Ų1436.9 Ų36.96%0.06117%0.174CC..Hα-helixtrans-61.9-47.6177.4-176.9-93.1000111.7F234 L235 W236 N241 H242 I247 W317 L319 L347F234-F238 HydrophobicContact CZ-CD2 4.49Å; F234-F238 WeakPolarHBondContact O-CB 3.44Å; F234-F238 PolarHBondContact O-N 3.15Å; L235-F238 PolarHBondContact O-N 3.45Å; W236-F238 VanDerWaalsContact C-N 3.28Å; W236-F238 PolarHBondContact O-N 3.21Å; F238-N241 PolarHBondContact O-N 3.27Å; F238-H242 AromaticContact CD2-CE1 3.88Å; F238-H242 AromaticContact CD2-ND1 3.8Å; F238-H242 AromaticContact CE2-CE1 3.64Å; F238-H242 AromaticContact CE2-ND1 3.72Å; F238-H242 AromaticContact CZ-ND1 3.9Å; F238-H242 PolarHBondContact O-N 3.04Å; F238-H242 PolarHBondContact O-ND1 3.46Å; F238-I247 HydrophobicContact CE1-CD1 4.04Å; F238-I247 HydrophobicContact CE1-CG2 3.88Å; F238-W317 HydrophobicContact CE2-CD2 4.34Å; F238-W317 HydrophobicContact CE2-CE3 4.28Å; F238-W317 HydrophobicContact CE2-CZ3 4.44Å; F238-W317 HydrophobicContact CZ-CB 4.25Å; F238-W317 AromaticContact CZ-CD2 3.76Å; F238-W317 HydrophobicContact CZ-CD2 3.76Å; F238-W317 AromaticContact CZ-CE3 3.93Å; F238-W317 HydrophobicContact CZ-CE3 3.93Å; F238-W317 AromaticContact CZ-CG 3.94Å; F238-W317 HydrophobicContact CZ-CG 3.94Å; F238-L319 HydrophobicContact CD1-CD2 3.86Å; F238-L319 HydrophobicContact CE1-CB 4.46Å; F238-L319 HydrophobicContact CE1-CD2 4.15Å; F238-L319 HydrophobicContact CG-CD2 4.28Å; F238-L347 HydrophobicContact CD2-CD2 4.23Å; F238-L347 HydrophobicContact CE2-CD2 3.94Å
239L94.3Very high93.6Very high0 Ų035.7 Ų35.70%017%0.169CC..Hα-helixtrans-66.7-41.7179.8-68.3175.2000112.5L235 W236 N241 H242 T243 I247 I249 F264 P269 L271 A299 F301L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CG 4.36Å; L235-L239 HydrophobicContact CG-CD1 4.16Å; L235-L239 VanDerWaalsContact O-CG 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.28Å; L235-L239 PolarHBondContact O-N 3.3Å; W236-L239 PolarHBondContact O-N 3.17Å; L239-N241 PolarHBondContact O-N 2.8Å; L239-H242 CarbonylContact O-C 3.58Å; L239-H242 PolarHBondContact O-N 3.4Å; L239-H242 VanDerWaalsContact O-N 3.14Å; L239-T243 PolarHBondContact O-N 3.03Å; L239-I247 HydrophobicContact CD2-CD1 3.93Å; L239-I249 HydrophobicContact CD2-CD1 3.82Å; L239-F264 HydrophobicContact CD1-CD1 3.62Å; L239-F264 HydrophobicContact CD1-CE1 3.79Å; L239-P269 HydrophobicContact CB-CB 4.2Å; L239-L271 HydrophobicContact CB-CD2 3.93Å; L239-L271 HydrophobicContact CD2-CD2 4.04Å; L239-L271 WeakPolarHBondContact O-CD2 3.43Å; L239-A299 HydrophobicContact CD2-CB 3.79Å; L239-F301 HydrophobicContact CD1-CE1 4.3Å; L239-F301 HydrophobicContact CD1-CZ 3.94Å
240R92.4Very high93.8Very high131 Ų13132.7 Ų32.749%0.49416%0.155SC..Hα-helixtrans-60.5-32.7176.8-76.4-75.3-65.3-171.71.5113W236 P269W236-R240 HydrophobicContact CD2-CG 4.27Å; W236-R240 HydrophobicContact CZ2-CG 3.99Å; W236-R240 WeakPolarHBondContact O-CB 3.3Å; W236-R240 WeakPolarHBondContact O-CG 3.16Å; W236-R240 PolarHBondContact O-N 2.91Å; R240-P269 VanDerWaalsContact CD-O 3.31Å; R240-P269 WeakPolarHBondContact CD-O 3.35Å
241N91.3Very high93.9Very high99 Ų9929.7 Ų29.753%0.52914%0.139SC..Hα-helixtrans-84.1-13.9179.1-69.9-26.9000113.6S237 F238 L239S237-N241 WeakPolarHBondContact O-CB 3.29Å; S237-N241 VanDerWaalsContact O-CG 3.27Å; S237-N241 PolarHBondContact O-N 3.44Å; S237-N241 PolarHBondContact O-ND2 3.33Å; S237-N241 VanDerWaalsContact O-ND2 3.12Å; F238-N241 PolarHBondContact O-N 3.27Å; L239-N241 PolarHBondContact O-N 2.8Å
242H92.4Very high93.8Very high45 Ų4530.4 Ų30.421%0.20814%0.143CC..  trans-127.639.1-173.1-62104.5000112.7F238 L239 K244 L245 I247 W317F238-H242 AromaticContact CD2-CE1 3.88Å; F238-H242 AromaticContact CD2-ND1 3.8Å; F238-H242 AromaticContact CE2-CE1 3.64Å; F238-H242 AromaticContact CE2-ND1 3.72Å; F238-H242 AromaticContact CZ-ND1 3.9Å; F238-H242 PolarHBondContact O-N 3.04Å; F238-H242 PolarHBondContact O-ND1 3.46Å; L239-H242 CarbonylContact O-C 3.58Å; L239-H242 PolarHBondContact O-N 3.4Å; L239-H242 VanDerWaalsContact O-N 3.14Å; H242-K244 PolarHBondContact O-N 2.86Å; H242-L245 HydrophobicContact CB-CB 4.47Å; H242-L245 HydrophobicContact CB-CD1 4.06Å; H242-L245 HydrophobicContact CB-CG 4.46Å; H242-L245 VanDerWaalsContact CD2-CD1 3.49Å; H242-L245 WeakPolarHBondContact CD2-CD1 3.23Å; H242-L245 PolarHBondContact O-N 3.05Å; H242-I247 HydrophobicContact CB-CD1 3.76Å; H242-W317 AromaticContact CD2-NE1 3.78Å; H242-W317 AromaticContact NE2-NE1 3.9Å
243T92.3Very high93.7Very high47 Ų4730.3 Ų30.329%0.28814%0.144SC..THydrogen-bonded Turntrans-65.1-20-176.754.20000114.6L239 L271L239-T243 PolarHBondContact O-N 3.03Å; T243-L271 HydrophobicContact CG2-CB 4.34Å; T243-L271 HydrophobicContact CG2-CD2 4.3Å
244K92.5Very high93.7Very high164 Ų16431.4 Ų31.471%0.71315%0.152SC*.THydrogen-bonded Turntrans-100.820.4-179.9-57.1-175.8-179-178.10113.5H242 H297H242-K244 PolarHBondContact O-N 2.86Å; K244-H297 PolarHBondContact O-CE1 3.02Å; K244-H297 PolarHBondContact O-ND1 3.24Å
245L93.7Very high93.8Very high43 Ų4334.5 Ų34.523%0.22516%0.163CC..SBendtrans-124.1161.2-178.7-61.6-177.3000111H242 I247 A298 D316 W317H242-L245 HydrophobicContact CB-CB 4.47Å; H242-L245 HydrophobicContact CB-CD1 4.06Å; H242-L245 HydrophobicContact CB-CG 4.46Å; H242-L245 VanDerWaalsContact CD2-CD1 3.49Å; H242-L245 WeakPolarHBondContact CD2-CD1 3.23Å; H242-L245 PolarHBondContact O-N 3.05Å; L245-I247 HydrophobicContact CB-CG1 4.28Å; L245-A298 PolarHBondContact O-N 3.33Å; L245-D316 WeakPolarHBondContact CA-OD2 3.48Å; L245-D316 HydrophobicContact CB-CB 4.12Å; L245-D316 HydrophobicContact CD1-CB 4.5Å; L245-D316 HydrophobicContact CD2-CB 4.28Å; L245-W317 VanDerWaalsContact CD1-CD1 3.44Å
246K95.2Very high93.8Very high3 Ų335.4 Ų35.41%0.01317%0.167CC..EExtended strand (participates in β ladder)trans-95.6118.2171.7-165.6171.9-172.8166.70110.3F292 A293 K295 A298 P313 V315 D316 W317K246-F292 HydrophobicContact CD-CZ 4.27Å; K246-F292 WeakPolarHBondContact CE-O 3.32Å; K246-F292 HydrophobicContact CG-CE1 4.37Å; K246-F292 HydrophobicContact CG-CE2 3.77Å; K246-F292 HydrophobicContact CG-CZ 3.61Å; K246-F292 PolarHBondContact NZ-O 2.89Å; K246-A293 PolarHBondContact NZ-O 3.45Å; K246-A293 VanDerWaalsContact NZ-O 3.08Å; K246-K295 WeakPolarHBondContact CE-O 3.29Å; K246-K295 PolarHBondContact NZ-O 2.89Å; K246-A298 CarbonylContact C-O 3.56Å; K246-A298 WeakPolarHBondContact CA-O 3.49Å; K246-P313 PolarHBondContact NZ-O 3.35Å; K246-V315 HydrophobicContact CD-CG2 4.44Å; K246-D316 PolarHBondContact N-OD2 2.77Å; K246-D316 PolarHBondContact O-N 3.03Å; K246-W317 PolarHBondContact O-N 2.82Å; K246-W317 VanDerWaalsContact O-N 3.14Å
247I95.5Very high93.9Very high0 Ų034.7 Ų34.70%016%0.164CC..EExtended strand (participates in β ladder)trans-125.7129.2-167.7-49.2173.6000109.4F238 L239 H242 L245 I249 A298 A299 L300 W317F238-I247 HydrophobicContact CE1-CD1 4.04Å; F238-I247 HydrophobicContact CE1-CG2 3.88Å; L239-I247 HydrophobicContact CD2-CD1 3.93Å; H242-I247 HydrophobicContact CB-CD1 3.76Å; L245-I247 HydrophobicContact CB-CG1 4.28Å; I247-I249 HydrophobicContact CG2-CD1 4.15Å; I247-I249 HydrophobicContact CG2-CG1 3.76Å; I247-A298 PolarHBondContact N-O 3.21Å; I247-A299 HydrophobicContact CB-CB 4.25Å; I247-A299 CarbonylContact O-C 3.28Å; I247-A299 VanDerWaalsContact O-CA 3.26Å; I247-A299 WeakPolarHBondContact O-CA 3.46Å; I247-L300 PolarHBondContact O-N 3.49Å; I247-W317 CarbonylContact C-O 3.46Å; I247-W317 WeakPolarHBondContact CA-O 3.43Å; I247-W317 HydrophobicContact CB-CB 4.49Å; I247-W317 HydrophobicContact CG1-CB 4.29Å; I247-W317 HydrophobicContact CG2-CB 4.06Å
248L95.3Very high94Very high0 Ų038.1 Ų38.10%018%0.176CC..EExtended strand (participates in β ladder)trans-108.4126.8169.9-179.461.7000109.2F250 L300 A302 F312 V315 W317 V318 L319 R336L248-F250 HydrophobicContact CD2-CE2 3.61Å; L248-F250 HydrophobicContact CD2-CZ 3.54Å; L248-F250 HydrophobicContact CG-CD2 4.46Å; L248-F250 HydrophobicContact CG-CE2 3.83Å; L248-F250 HydrophobicContact CG-CZ 3.97Å; L248-L300 HydrophobicContact CD1-CB 3.94Å; L248-L300 HydrophobicContact CD1-CD2 3.78Å; L248-L300 HydrophobicContact CD1-CG 3.88Å; L248-A302 HydrophobicContact CD1-CB 4.06Å; L248-F312 HydrophobicContact CD2-CD2 4.22Å; L248-F312 HydrophobicContact CD2-CE2 4.35Å; L248-V315 HydrophobicContact CB-CG1 4.11Å; L248-W317 PolarHBondContact N-O 2.82Å; L248-V318 HydrophobicContact CB-CG2 4.38Å; L248-V318 CarbonylContact O-C 3.55Å; L248-V318 WeakPolarHBondContact O-CA 3.29Å; L248-L319 PolarHBondContact O-N 3.43Å; L248-R336 HydrophobicContact CD2-CB 3.59Å; L248-R336 HydrophobicContact CD2-CG 3.72Å
249I96.4Very high94.2Very high0 Ų037.8 Ų37.80%018%0.175CC..EExtended strand (participates in β ladder)trans-122.1117.2-172.1-55.4152.3000108.9L235 L239 I247 L251 A299 L300 F301 A302 L319 L321L235-I249 HydrophobicContact CD1-CD1 4.16Å; L235-I249 HydrophobicContact CD1-CG2 4Å; L239-I249 HydrophobicContact CD2-CD1 3.82Å; I247-I249 HydrophobicContact CG2-CD1 4.15Å; I247-I249 HydrophobicContact CG2-CG1 3.76Å; I249-L251 HydrophobicContact CG2-CD1 4.06Å; I249-A299 HydrophobicContact CD1-CB 3.84Å; I249-L300 PolarHBondContact N-O 2.68Å; I249-F301 HydrophobicContact CB-CD1 3.97Å; I249-F301 HydrophobicContact CB-CE1 4.48Å; I249-F301 HydrophobicContact CD1-CD1 3.68Å; I249-F301 HydrophobicContact CD1-CE1 3.45Å; I249-F301 VanDerWaalsContact CD1-CE1 3.45Å; I249-F301 HydrophobicContact CD1-CZ 4.18Å; I249-F301 HydrophobicContact CG1-CD1 4.46Å; I249-F301 HydrophobicContact CG2-CD1 4.03Å; I249-F301 HydrophobicContact CG2-CE1 4.42Å; I249-A302 PolarHBondContact O-N 3.16Å; I249-L319 CarbonylContact C-O 3.52Å; I249-L319 VanDerWaalsContact CA-O 3.27Å; I249-L319 WeakPolarHBondContact CA-O 3.31Å; I249-L319 HydrophobicContact CG1-CB 4.18Å; I249-L319 HydrophobicContact CG1-CD2 4.36Å; I249-L319 HydrophobicContact CG2-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CG 4.44Å; I249-L321 HydrophobicContact CG2-CB 4.14Å
250F96Very high94.3Very high0 Ų038 Ų380%018%0.176CC..EExtended strand (participates in β ladder)trans-92.8129.5178.6-72.3-74000112L248 A302 A306 A307 V318 L319 L321 D322 R333 R336L248-F250 HydrophobicContact CD2-CE2 3.61Å; L248-F250 HydrophobicContact CD2-CZ 3.54Å; L248-F250 HydrophobicContact CG-CD2 4.46Å; L248-F250 HydrophobicContact CG-CE2 3.83Å; L248-F250 HydrophobicContact CG-CZ 3.97Å; F250-A302 WeakPolarHBondContact CA-O 3.27Å; F250-A302 HydrophobicContact CE1-CB 4.45Å; F250-A306 HydrophobicContact CE1-CB 4.06Å; F250-A306 HydrophobicContact CZ-CB 4.5Å; F250-A307 HydrophobicContact CD1-CB 4.46Å; F250-A307 HydrophobicContact CE1-CB 3.69Å; F250-A307 HydrophobicContact CZ-CB 3.92Å; F250-V318 HydrophobicContact CD2-CG1 3.82Å; F250-V318 HydrophobicContact CE2-CG1 3.72Å; F250-L319 PolarHBondContact N-O 2.81Å; F250-L321 PolarHBondContact O-N 3.29Å; F250-L321 VanDerWaalsContact O-N 3.08Å; F250-D322 PolarHBondContact O-N 3.26Å; F250-R333 HydrophobicContact CD1-CG 4.09Å; F250-R333 HydrophobicContact CD2-CB 3.83Å; F250-R333 HydrophobicContact CD2-CG 3.79Å; F250-R333 HydrophobicContact CE1-CG 4.15Å; F250-R333 HydrophobicContact CE2-CB 3.69Å; F250-R333 HydrophobicContact CE2-CG 3.83Å; F250-R333 HydrophobicContact CG-CB 4.46Å; F250-R333 HydrophobicContact CG-CG 3.92Å; F250-R333 HydrophobicContact CZ-CB 4.24Å; F250-R333 HydrophobicContact CZ-CG 4.02Å; F250-R336 HydrophobicContact CE2-CG 4.43Å; F250-R336 HydrophobicContact CZ-CG 4.14Å
251L95.1Very high94.5Very high2 Ų234.9 Ų34.91%0.0117%0.165CC..  trans-125.2154168.8-60.397.4000109.5I249 Q256 V257 V260 F301 A302 L321I249-L251 HydrophobicContact CG2-CD1 4.06Å; L251-Q256 HydrophobicContact CB-CB 4.39Å; L251-Q256 HydrophobicContact CD2-CB 4.06Å; L251-V257 HydrophobicContact CB-CG2 3.91Å; L251-V257 HydrophobicContact CD1-CG2 3.97Å; L251-V257 HydrophobicContact CG-CG2 4.47Å; L251-V260 HydrophobicContact CD2-CB 4.34Å; L251-V260 HydrophobicContact CD2-CG2 3.81Å; L251-F301 HydrophobicContact CD1-CB 4.19Å; L251-F301 HydrophobicContact CD1-CD1 4.08Å; L251-A302 PolarHBondContact N-O 3.38Å; L251-L321 HydrophobicContact CD2-CD2 3.84Å; L251-L321 HydrophobicContact CG-CD2 4.18Å
252N91.7Very high94.7Very high23 Ų2332.6 Ų32.612%0.12315%0.153CC..SBendtrans-77.4-30.3-171.3-73.2-6.7000113.9D322 C323 R333 M413N252-D322 HydrophobicContact CB-CB 4.2Å; N252-D322 VanDerWaalsContact CG-CB 3.44Å; N252-D322 PolarHBondContact N-OD2 2.84Å; N252-D322 VanDerWaalsContact N-OD2 3.16Å; N252-D322 WeakPolarHBondContact OD1-CB 3.45Å; N252-C323 PolarHBondContact ND2-O 3.34Å; N252-R333 PolarHBondContact OD1-NH2 3.07Å; N252-M413 VanDerWaalsContact ND2-CE 3.29Å; N252-M413 WeakPolarHBondContact ND2-CE 3.23Å
253S92Very high94.8Very high18 Ų1830.5 Ų30.513%0.12614%0.143CC..  trans-118142.6-176.7-177.20000113.8R255 Q256 V257 A405S253-R255 PolarHBondContact O-N 3.06Å; S253-R255 PolarHBondContact OG-N 2.99Å; S253-Q256 VanDerWaalsContact CB-OE1 3.26Å; S253-Q256 WeakPolarHBondContact O-CB 3.23Å; S253-Q256 PolarHBondContact O-N 2.83Å; S253-Q256 VanDerWaalsContact O-N 3.11Å; S253-V257 PolarHBondContact O-N 3.4Å; S253-A405 VanDerWaalsContact OG-CB 3.25Å; S253-A405 WeakPolarHBondContact OG-CB 3.3Å
254C93.5Very high95Very high33 Ų3328.3 Ų28.322%0.22313%0.129CC..Hα-helixtrans-54.6-37.6169.5-60.90000111.8V257 R258 Y277C254-V257 PolarHBondContact O-N 3.25Å; C254-R258 WeakPolarHBondContact O-CB 3.47Å; C254-R258 PolarHBondContact O-N 2.84Å; C254-Y277 HydrophobicContact CB-CD2 3.89Å; C254-Y277 HydrophobicContact CB-CG 4.24Å
255R94.7Very high95.1Very high81 Ų8122.7 Ų22.731%0.30611%0.11SC..Hα-helixtrans-69.7-36.8-179.8-53.3-164.2-171.7162.5-10.8111.7S253 R258 F259 A405S253-R255 PolarHBondContact O-N 3.06Å; S253-R255 PolarHBondContact OG-N 2.99Å; R255-R258 PolarHBondContact O-N 3.44Å; R255-F259 PolarHBondContact O-N 3.09Å; R255-A405 HydrophobicContact CB-CB 4.01Å; R255-A405 HydrophobicContact CG-CB 4.12Å
256Q95.2Very high95.1Very high19 Ų1925.4 Ų25.49%0.08912%0.121CC..Hα-helixtrans-63.8-48171.7-70.5173.5-78.500111.3L251 S253 R258 F259 V260 D322 A402L251-Q256 HydrophobicContact CB-CB 4.39Å; L251-Q256 HydrophobicContact CD2-CB 4.06Å; S253-Q256 VanDerWaalsContact CB-OE1 3.26Å; S253-Q256 WeakPolarHBondContact O-CB 3.23Å; S253-Q256 PolarHBondContact O-N 2.83Å; S253-Q256 VanDerWaalsContact O-N 3.11Å; Q256-R258 VanDerWaalsContact C-N 3.3Å; Q256-R258 PolarHBondContact O-N 2.95Å; Q256-F259 PolarHBondContact O-N 2.91Å; Q256-V260 WeakPolarHBondContact O-CB 3.28Å; Q256-V260 WeakPolarHBondContact O-CG2 3.3Å; Q256-V260 PolarHBondContact O-N 3.23Å; Q256-D322 PolarHBondContact NE2-OD2 2.96Å; Q256-D322 PolarHBondContact OE1-OD2 3.19Å; Q256-A402 HydrophobicContact CG-CB 4.18Å
257V96.2Very high95Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-55.7-46.9176.71750000110.7L251 S253 C254 F259 V260 Y261 Y277 F301 T303L251-V257 HydrophobicContact CB-CG2 3.91Å; L251-V257 HydrophobicContact CD1-CG2 3.97Å; L251-V257 HydrophobicContact CG-CG2 4.47Å; S253-V257 PolarHBondContact O-N 3.4Å; C254-V257 PolarHBondContact O-N 3.25Å; V257-F259 PolarHBondContact O-N 2.66Å; V257-V260 PolarHBondContact O-N 3.42Å; V257-Y261 WeakPolarHBondContact O-CB 3.38Å; V257-Y261 PolarHBondContact O-N 2.89Å; V257-Y277 HydrophobicContact CB-CD1 4.06Å; V257-Y277 HydrophobicContact CB-CG 4.48Å; V257-Y277 HydrophobicContact CG1-CD1 3.46Å; V257-Y277 VanDerWaalsContact CG1-CD1 3.46Å; V257-Y277 HydrophobicContact CG1-CE1 4.09Å; V257-Y277 HydrophobicContact CG1-CG 4.28Å; V257-F301 HydrophobicContact CG1-CB 3.82Å; V257-F301 WeakPolarHBondContact CG1-O 3.14Å; V257-T303 HydrophobicContact CG2-CG2 3.71Å
258R95.7Very high94.8Very high78 Ų7833.6 Ų33.629%0.29416%0.16SC..Hα-helixtrans-60.2-46.2178-173.5172.5-178.7165.40.7111.9C254 R255 Q256 N262 F398 D478C254-R258 WeakPolarHBondContact O-CB 3.47Å; C254-R258 PolarHBondContact O-N 2.84Å; R255-R258 PolarHBondContact O-N 3.44Å; Q256-R258 VanDerWaalsContact C-N 3.3Å; Q256-R258 PolarHBondContact O-N 2.95Å; R258-N262 WeakPolarHBondContact O-CB 3.4Å; R258-N262 PolarHBondContact O-N 3.41Å; R258-N262 PolarHBondContact O-ND2 3.03Å; R258-F398 HydrophobicContact CG-CD1 4.46Å; R258-F398 HydrophobicContact CG-CD2 4.48Å; R258-F398 HydrophobicContact CG-CE1 4.48Å; R258-F398 HydrophobicContact CG-CE2 4.47Å; R258-F398 HydrophobicContact CG-CG 4.49Å; R258-F398 HydrophobicContact CG-CZ 4.5Å; R258-F398 VanDerWaalsContact NE-CZ 3.26Å; R258-D478 IonicContact NH1-OD2 3.87Å
259F96.3Very high94.5Very high8 Ų833.8 Ų33.84%0.03516%0.161CC..Hα-helixtrans-62.3-54.1177.4167.3-114.2000112L232 R255 Q256 V257 Y261 N262 A263 L395 F398 A399 A402 A433L232-F259 HydrophobicContact CD1-CE1 4.1Å; R255-F259 PolarHBondContact O-N 3.09Å; Q256-F259 PolarHBondContact O-N 2.91Å; V257-F259 PolarHBondContact O-N 2.66Å; F259-Y261 PolarHBondContact O-N 3.22Å; F259-N262 PolarHBondContact O-N 3.46Å; F259-A263 HydrophobicContact CE2-CB 4.23Å; F259-A263 HydrophobicContact CZ-CB 4.43Å; F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 3.25Å; F259-L395 HydrophobicContact CD2-CD1 3.99Å; F259-L395 HydrophobicContact CE2-CD1 4.08Å; F259-L395 HydrophobicContact CE2-CG 4.4Å; F259-F398 HydrophobicContact CB-CB 4.06Å; F259-F398 HydrophobicContact CD2-CB 4.22Å; F259-A399 HydrophobicContact CD2-CB 3.73Å; F259-A399 HydrophobicContact CE2-CB 3.45Å; F259-A399 VanDerWaalsContact CE2-CB 3.45Å; F259-A399 HydrophobicContact CG-CB 4.42Å; F259-A399 HydrophobicContact CZ-CB 3.92Å; F259-A402 HydrophobicContact CB-CB 3.7Å; F259-A402 HydrophobicContact CD1-CB 4.2Å; F259-A402 HydrophobicContact CG-CB 4.14Å; F259-A433 HydrophobicContact CE1-CB 4.02Å; F259-A433 HydrophobicContact CZ-CB 3.99Å; F259-A433 WeakPolarHBondContact CZ-O 3.37Å
260V96.6Very high94.2Very high4 Ų436.7 Ų36.72%0.02419%0.19CC..Hα-helixtrans-61.5-44.4-176.2173.40000110.8L232 L235 L251 Q256 V257 A263 F264 F301L232-V260 HydrophobicContact CD2-CG2 3.89Å; L235-V260 HydrophobicContact CD2-CG1 3.66Å; L251-V260 HydrophobicContact CD2-CB 4.34Å; L251-V260 HydrophobicContact CD2-CG2 3.81Å; Q256-V260 WeakPolarHBondContact O-CB 3.28Å; Q256-V260 WeakPolarHBondContact O-CG2 3.3Å; Q256-V260 PolarHBondContact O-N 3.23Å; V257-V260 PolarHBondContact O-N 3.42Å; V260-A263 PolarHBondContact O-N 2.97Å; V260-F264 HydrophobicContact CG1-CD2 3.87Å; V260-F264 HydrophobicContact CG1-CE2 3.96Å; V260-F264 HydrophobicContact CG1-CG 4.35Å; V260-F264 HydrophobicContact CG1-CZ 4.5Å; V260-F264 VanDerWaalsContact O-CB 3.28Å; V260-F264 WeakPolarHBondContact O-CB 3.37Å; V260-F264 WeakPolarHBondContact O-CD2 3.37Å; V260-F264 PolarHBondContact O-N 3.12Å; V260-F301 HydrophobicContact CG1-CD1 3.98Å; V260-F301 HydrophobicContact CG1-CE1 3.69Å; V260-F301 HydrophobicContact CG1-CZ 4.07Å
261Y96.6Very high94.1Very high65 Ų6537.8 Ų37.826%0.25520%0.196SC..Hα-helixtrans-56.9-53.2175.7172.7-104.7000111.9V257 F259 A263 F264 C265 L273 F301V257-Y261 WeakPolarHBondContact O-CB 3.38Å; V257-Y261 PolarHBondContact O-N 2.89Å; F259-Y261 PolarHBondContact O-N 3.22Å; Y261-A263 PolarHBondContact O-N 2.88Å; Y261-F264 PolarHBondContact O-N 3.13Å; Y261-C265 WeakPolarHBondContact CE2-SG 3.28Å; Y261-C265 VanDerWaalsContact CZ-SG 3.56Å; Y261-C265 WeakPolarHBondContact O-CB 3.45Å; Y261-C265 PolarHBondContact O-N 2.96Å; Y261-C265 PolarHBondContact O-SG 3.2Å; Y261-L273 HydrophobicContact CD2-CB 4.29Å; Y261-L273 HydrophobicContact CE2-CB 4.13Å; Y261-L273 WeakPolarHBondContact CE2-O 3.37Å; Y261-F301 HydrophobicContact CD2-CD2 4.09Å; Y261-F301 HydrophobicContact CD2-CE2 4.47Å
262N95.8Very high94Very high52 Ų5239.8 Ų39.828%0.27821%0.211SC..Hα-helixtrans-64.5-41-178.2-79.5-81000112.3R258 F259 K266 L395 F398R258-N262 WeakPolarHBondContact O-CB 3.4Å; R258-N262 PolarHBondContact O-N 3.41Å; R258-N262 PolarHBondContact O-ND2 3.03Å; F259-N262 PolarHBondContact O-N 3.46Å; N262-K266 WeakPolarHBondContact O-CG 3.49Å; N262-K266 PolarHBondContact O-N 3.26Å; N262-L395 HydrophobicContact CB-CD1 4.04Å; N262-F398 HydrophobicContact CB-CD2 4.43Å
263A95.2Very high94.3Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-62.1-47.4176.200000111.5F259 V260 Y261 K266 L267 L385 L395F259-A263 HydrophobicContact CE2-CB 4.23Å; F259-A263 HydrophobicContact CZ-CB 4.43Å; F259-A263 WeakPolarHBondContact O-CB 3.44Å; F259-A263 PolarHBondContact O-N 3.25Å; V260-A263 PolarHBondContact O-N 2.97Å; Y261-A263 PolarHBondContact O-N 2.88Å; A263-K266 PolarHBondContact O-N 3.38Å; A263-L267 WeakPolarHBondContact O-CG 3.25Å; A263-L267 PolarHBondContact O-N 3.37Å; A263-L385 HydrophobicContact CB-CD2 3.83Å; A263-L395 HydrophobicContact CB-CD1 4.21Å
264F96Very high94.5Very high1 Ų139.3 Ų39.30%0.00421%0.206CC..Hα-helixtrans-75.2-32.1-175.5-79.7-125.4000112.2L232 L235 W236 L239 V260 Y261 K266 L267 Q268 P269 L273 F301 I381L232-F264 HydrophobicContact CD2-CE2 4.5Å; L235-F264 HydrophobicContact CB-CE1 4.3Å; L235-F264 HydrophobicContact CB-CZ 4.18Å; L235-F264 HydrophobicContact CD2-CE1 3.82Å; L235-F264 HydrophobicContact CD2-CE2 4.36Å; L235-F264 HydrophobicContact CD2-CZ 3.7Å; L235-F264 HydrophobicContact CG-CE1 3.76Å; L235-F264 HydrophobicContact CG-CZ 3.96Å; W236-F264 HydrophobicContact CB-CE1 4.03Å; W236-F264 HydrophobicContact CB-CZ 4.17Å; W236-F264 AromaticContact CE3-CD1 3.98Å; W236-F264 HydrophobicContact CE3-CD1 3.98Å; W236-F264 AromaticContact CE3-CE1 3.97Å; W236-F264 HydrophobicContact CE3-CE1 3.97Å; L239-F264 HydrophobicContact CD1-CD1 3.62Å; L239-F264 HydrophobicContact CD1-CE1 3.79Å; V260-F264 HydrophobicContact CG1-CD2 3.87Å; V260-F264 HydrophobicContact CG1-CE2 3.96Å; V260-F264 HydrophobicContact CG1-CG 4.35Å; V260-F264 HydrophobicContact CG1-CZ 4.5Å; V260-F264 VanDerWaalsContact O-CB 3.28Å; V260-F264 WeakPolarHBondContact O-CB 3.37Å; V260-F264 WeakPolarHBondContact O-CD2 3.37Å; V260-F264 PolarHBondContact O-N 3.12Å; Y261-F264 PolarHBondContact O-N 3.13Å; F264-K266 VanDerWaalsContact C-N 3.28Å; F264-K266 PolarHBondContact O-N 2.86Å; F264-L267 PolarHBondContact O-N 3.26Å; F264-Q268 PolarHBondContact O-N 2.87Å; F264-P269 VanDerWaalsContact O-CD 3.27Å; F264-P269 WeakPolarHBondContact O-CD 3.26Å; F264-L273 VanDerWaalsContact C-CD1 3.44Å; F264-L273 HydrophobicContact CB-CD1 3.61Å; F264-F301 HydrophobicContact CB-CZ 4.31Å; F264-F301 HydrophobicContact CD1-CZ 4.22Å; F264-F301 HydrophobicContact CG-CZ 4.34Å; F264-I381 HydrophobicContact CE2-CD1 4.02Å; F264-I381 HydrophobicContact CZ-CD1 3.97Å
265C94.8Very high94.6Very high46 Ų4638 Ų3831%0.31120%0.198SC..Hα-helixtrans-58.2-41.7170.6-79.50000111.7Y261 Q268Y261-C265 WeakPolarHBondContact CE2-SG 3.28Å; Y261-C265 VanDerWaalsContact CZ-SG 3.56Å; Y261-C265 WeakPolarHBondContact O-CB 3.45Å; Y261-C265 PolarHBondContact O-N 2.96Å; Y261-C265 PolarHBondContact O-SG 3.2Å; C265-Q268 VanDerWaalsContact O-CG 3.3Å; C265-Q268 WeakPolarHBondContact O-CG 3.37Å
266K93.4Very high94.5Very high101 Ų10134.2 Ų34.244%0.43918%0.183SC..Hα-helixtrans-72.3-35.6176-71.4-176.7-179.5-161.80113.2N262 A263 F264 Q268 M388 D392 L395N262-K266 WeakPolarHBondContact O-CG 3.49Å; N262-K266 PolarHBondContact O-N 3.26Å; A263-K266 PolarHBondContact O-N 3.38Å; F264-K266 VanDerWaalsContact C-N 3.28Å; F264-K266 PolarHBondContact O-N 2.86Å; K266-Q268 VanDerWaalsContact C-N 3.32Å; K266-M388 HydrophobicContact CB-CE 3.28Å; K266-M388 HydrophobicContact CD-CE 3.66Å; K266-M388 HydrophobicContact CG-CE 4.12Å; K266-D392 IonicContact NZ-OD2 3.3Å; K266-D392 PolarHBondContact NZ-OD2 3.12Å; K266-L395 HydrophobicContact CD-CD2 4.4Å
267L92.6Very high94.3Very high28 Ų2834.5 Ų34.515%0.14718%0.184CC..Hα-helixtrans-72.6-24.1177.2-71.5170.8000113.2W236 A263 F264 I381 K384 L385 M388W236-L267 HydrophobicContact CE3-CB 4.16Å; W236-L267 HydrophobicContact CE3-CD1 4.1Å; W236-L267 HydrophobicContact CH2-CB 3.64Å; W236-L267 WeakPolarHBondContact CH2-O 3.45Å; W236-L267 HydrophobicContact CZ3-CB 3.33Å; W236-L267 HydrophobicContact CZ3-CD1 4.11Å; W236-L267 HydrophobicContact CZ3-CG 4.33Å; A263-L267 WeakPolarHBondContact O-CG 3.25Å; A263-L267 PolarHBondContact O-N 3.37Å; F264-L267 PolarHBondContact O-N 3.26Å; L267-I381 HydrophobicContact CD1-CB 4.41Å; L267-I381 HydrophobicContact CD1-CD1 4.02Å; L267-I381 HydrophobicContact CD1-CG2 4.48Å; L267-K384 HydrophobicContact CD2-CB 3.88Å; L267-K384 HydrophobicContact CD2-CD 4Å; L267-L385 HydrophobicContact CD1-CD2 3.93Å; L267-M388 HydrophobicContact CD2-CE 4.49Å; L267-M388 HydrophobicContact CD2-SD 3.57Å; L267-M388 VanDerWaalsContact CD2-SD 3.57Å; L267-M388 HydrophobicContact CG-CE 4.22Å; L267-M388 HydrophobicContact CG-SD 3.91Å
268Q91.9Very high93.6Very high147 Ų14736.1 Ų36.169%0.68720%0.201SC*.  trans5680.6177.9-61.2-178.7-12.900113.8F264 C265 K266 G270F264-Q268 PolarHBondContact O-N 2.87Å; C265-Q268 VanDerWaalsContact O-CG 3.3Å; C265-Q268 WeakPolarHBondContact O-CG 3.37Å; K266-Q268 VanDerWaalsContact C-N 3.32Å; Q268-G270 PolarHBondContact O-N 3.09Å; Q268-G270 VanDerWaalsContact O-N 3.15Å
269P89.5Confident93.2Very high3 Ų335.9 Ų35.92%0.01921%0.208CC..  trans-68.8-10.1178.627.5-33.8000114W236 L239 R240 F264 L271 L273W236-P269 HydrophobicContact CE3-CB 4.34Å; W236-P269 HydrophobicContact CH2-CB 4.15Å; W236-P269 HydrophobicContact CZ3-CB 3.79Å; W236-P269 HydrophobicContact CZ3-CG 4.35Å; L239-P269 HydrophobicContact CB-CB 4.2Å; R240-P269 VanDerWaalsContact CD-O 3.31Å; R240-P269 WeakPolarHBondContact CD-O 3.35Å; F264-P269 VanDerWaalsContact O-CD 3.27Å; F264-P269 WeakPolarHBondContact O-CD 3.26Å; P269-L271 HydrophobicContact CG-CG 4.48Å; P269-L273 HydrophobicContact CG-CD1 3.88Å; P269-L273 HydrophobicContact CG-CD2 3.93Å; P269-L273 HydrophobicContact CG-CG 4.16Å
270G89.9Confident92.7Very high61 Ų6136.6 Ų36.663%0.62921%0.212SC*.SBendtrans91.721.9-178.300000114.4Q268Q268-G270 PolarHBondContact O-N 3.09Å; Q268-G270 VanDerWaalsContact O-N 3.15Å
271L92.4Very high92.3Very high23 Ų2340 Ų4012%0.1223%0.234CC..SBendtrans-143.7157.317480.1100.7000110.1L239 T243 P269 L273 A299L239-L271 HydrophobicContact CB-CD2 3.93Å; L239-L271 HydrophobicContact CD2-CD2 4.04Å; L239-L271 WeakPolarHBondContact O-CD2 3.43Å; T243-L271 HydrophobicContact CG2-CB 4.34Å; T243-L271 HydrophobicContact CG2-CD2 4.3Å; P269-L271 HydrophobicContact CG-CG 4.48Å; L271-L273 HydrophobicContact CD1-CD2 3.96Å; L271-L273 HydrophobicContact CG-CD2 4.16Å; L271-L273 PolarHBondContact O-N 2.73Å; L271-A299 HydrophobicContact CD1-CB 3.48Å; L271-A299 VanDerWaalsContact CD1-CB 3.48Å
272S94.8Very high91.5Very high45 Ų4538.9 Ų38.932%0.31523%0.232SC..  trans-68.5121.3-178.7-170.30000111.3K295 A298 A299S272-K295 PolarHBondContact OG-NZ 3.34Å; S272-A298 CarbonylContact O-C 3.49Å; S272-A298 VanDerWaalsContact O-CA 3.28Å; S272-A298 WeakPolarHBondContact O-CA 3.16Å; S272-A299 PolarHBondContact O-N 2.91Å
273L96.5Very high91Very high16 Ų1642.6 Ų42.68%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-100.5136.7178.5-57.1-178.4000110.3Y261 F264 P269 L271 A299 F301Y261-L273 HydrophobicContact CD2-CB 4.29Å; Y261-L273 HydrophobicContact CE2-CB 4.13Å; Y261-L273 WeakPolarHBondContact CE2-O 3.37Å; F264-L273 VanDerWaalsContact C-CD1 3.44Å; F264-L273 HydrophobicContact CB-CD1 3.61Å; P269-L273 HydrophobicContact CG-CD1 3.88Å; P269-L273 HydrophobicContact CG-CD2 3.93Å; P269-L273 HydrophobicContact CG-CG 4.16Å; L271-L273 HydrophobicContact CD1-CD2 3.96Å; L271-L273 HydrophobicContact CG-CD2 4.16Å; L271-L273 PolarHBondContact O-N 2.73Å; L273-A299 WeakPolarHBondContact CA-O 3.24Å; L273-A299 HydrophobicContact CD2-CB 3.92Å; L273-F301 HydrophobicContact CB-CE2 4.21Å; L273-F301 HydrophobicContact CD1-CE2 4.21Å; L273-F301 HydrophobicContact CD2-CE2 3.94Å; L273-F301 HydrophobicContact CD2-CZ 4.21Å; L273-F301 HydrophobicContact CG-CE2 4.35Å
274L96.1Very high90.8Very high14 Ų1448.9 Ų48.97%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-133158.3176.3-63.9176.3000109.7V288 D291 F292 K295 A299 L300 F301L274-V288 HydrophobicContact CB-CG1 4.02Å; L274-D291 HydrophobicContact CD1-CB 4.43Å; L274-D291 VanDerWaalsContact CD2-OD2 3.32Å; L274-D291 WeakPolarHBondContact CD2-OD2 3.26Å; L274-F292 HydrophobicContact CD1-CB 3.68Å; L274-F292 HydrophobicContact CD1-CD2 4.06Å; L274-F292 HydrophobicContact CD1-CG 4.35Å; L274-K295 HydrophobicContact CD1-CD 4.38Å; L274-A299 PolarHBondContact N-O 2.96Å; L274-L300 HydrophobicContact CB-CD1 3.68Å; L274-F301 WeakPolarHBondContact O-CD2 3.46Å; L274-F301 PolarHBondContact O-N 2.95Å
275S95.5Very high90.4Very high7 Ų749.2 Ų49.25%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-137138.7175.2580000112.3M280 V288 F301S275-M280 WeakPolarHBondContact O-CE 3.16Å; S275-V288 WeakPolarHBondContact O-CG1 3.33Å; S275-F301 CarbonylContact C-O 3.51Å; S275-F301 VanDerWaalsContact CA-O 3.24Å; S275-F301 WeakPolarHBondContact CA-O 3.46Å
276L92.7Very high90Very high0 Ų048.4 Ų48.40%027%0.268CS..EExtended strand (participates in β ladder)trans-137109.2179.7-177.167.2000110.8R285 V288 L300 F301 A302 T303 I305 A306 L310 F312L276-R285 HydrophobicContact CD1-CB 3.75Å; L276-R285 HydrophobicContact CD1-CG 3.92Å; L276-V288 HydrophobicContact CB-CG1 4.47Å; L276-L300 HydrophobicContact CB-CD1 3.86Å; L276-L300 HydrophobicContact CB-CD2 4.41Å; L276-L300 HydrophobicContact CB-CG 4.45Å; L276-L300 HydrophobicContact CD2-CD2 4.43Å; L276-F301 PolarHBondContact N-O 3.16Å; L276-A302 HydrophobicContact CB-CB 4.46Å; L276-A302 VanDerWaalsContact O-CA 3.27Å; L276-A302 WeakPolarHBondContact O-CA 3.47Å; L276-T303 PolarHBondContact O-N 3.16Å; L276-I305 HydrophobicContact CG-CG2 4.43Å; L276-A306 HydrophobicContact CD2-CB 4.11Å; L276-L310 HydrophobicContact CD2-CD1 3.98Å; L276-F312 HydrophobicContact CD2-CZ 4.25Å
277Y91.2Very high89.9Confident25 Ų2546.1 Ų46.110%0.09827%0.268CS..  trans-145.7160.5-178.953.7-88.6000111.7C254 V257 T279 M280C254-Y277 HydrophobicContact CB-CD2 3.89Å; C254-Y277 HydrophobicContact CB-CG 4.24Å; V257-Y277 HydrophobicContact CB-CD1 4.06Å; V257-Y277 HydrophobicContact CB-CG 4.48Å; V257-Y277 HydrophobicContact CG1-CD1 3.46Å; V257-Y277 VanDerWaalsContact CG1-CD1 3.46Å; V257-Y277 HydrophobicContact CG1-CE1 4.09Å; V257-Y277 HydrophobicContact CG1-CG 4.28Å; Y277-T279 VanDerWaalsContact CD2-OG1 3.3Å; Y277-T279 WeakPolarHBondContact CD2-OG1 3.47Å; Y277-T279 VanDerWaalsContact CE2-OG1 3.31Å; Y277-T279 WeakPolarHBondContact CE2-OG1 3.5Å; Y277-T279 PolarHBondContact O-N 2.78Å; Y277-M280 HydrophobicContact CD1-CG 3.96Å; Y277-M280 HydrophobicContact CD1-SD 3.57Å; Y277-M280 VanDerWaalsContact CD1-SD 3.57Å; Y277-M280 HydrophobicContact CD2-CG 3.66Å; Y277-M280 HydrophobicContact CD2-SD 4.35Å; Y277-M280 HydrophobicContact CE1-CG 3.73Å; Y277-M280 HydrophobicContact CE1-SD 3.48Å; Y277-M280 WeakPolarHBondContact CE1-SD 3.32Å; Y277-M280 HydrophobicContact CE2-CG 3.39Å; Y277-M280 HydrophobicContact CE2-SD 4.27Å; Y277-M280 HydrophobicContact CG-CG 3.94Å; Y277-M280 HydrophobicContact CG-SD 4.02Å; Y277-M280 VanDerWaalsContact CZ-CG 3.43Å; Y277-M280 WeakPolarHBondContact O-CB 3.41Å; Y277-M280 WeakPolarHBondContact O-CG 3.19Å; Y277-M280 PolarHBondContact O-N 2.89Å
278G82.9Confident89.9Confident35 Ų3545.9 Ų45.936%0.36127%0.268SS..THydrogen-bonded Turntrans-63.3-31.8-164.900000115.8M280G278-M280 PolarHBondContact O-N 3.19Å
279T85.7Confident89.7Confident72 Ų7240.3 Ų40.344%0.44224%0.241SC..THydrogen-bonded Turntrans-79-3.7-179.464.30000113.6Y277Y277-T279 VanDerWaalsContact CD2-OG1 3.3Å; Y277-T279 WeakPolarHBondContact CD2-OG1 3.47Å; Y277-T279 VanDerWaalsContact CE2-OG1 3.31Å; Y277-T279 WeakPolarHBondContact CE2-OG1 3.5Å; Y277-T279 PolarHBondContact O-N 2.78Å
280M87.3Confident89.7Confident23 Ų2344.2 Ų44.211%0.11326%0.259CS..SBendtrans-71.4141.8176.1-67.4176.669.100111.2S275 Y277 G278 L282 K284 R285 V288S275-M280 WeakPolarHBondContact O-CE 3.16Å; Y277-M280 HydrophobicContact CD1-CG 3.96Å; Y277-M280 HydrophobicContact CD1-SD 3.57Å; Y277-M280 VanDerWaalsContact CD1-SD 3.57Å; Y277-M280 HydrophobicContact CD2-CG 3.66Å; Y277-M280 HydrophobicContact CD2-SD 4.35Å; Y277-M280 HydrophobicContact CE1-CG 3.73Å; Y277-M280 HydrophobicContact CE1-SD 3.48Å; Y277-M280 WeakPolarHBondContact CE1-SD 3.32Å; Y277-M280 HydrophobicContact CE2-CG 3.39Å; Y277-M280 HydrophobicContact CE2-SD 4.27Å; Y277-M280 HydrophobicContact CG-CG 3.94Å; Y277-M280 HydrophobicContact CG-SD 4.02Å; Y277-M280 VanDerWaalsContact CZ-CG 3.43Å; Y277-M280 WeakPolarHBondContact O-CB 3.41Å; Y277-M280 WeakPolarHBondContact O-CG 3.19Å; Y277-M280 PolarHBondContact O-N 2.89Å; G278-M280 PolarHBondContact O-N 3.19Å; M280-L282 PolarHBondContact O-N 2.85Å; M280-K284 HydrophobicContact CE-CB 4.18Å; M280-R285 HydrophobicContact CB-CG 3.44Å; M280-R285 VanDerWaalsContact CB-CG 3.44Å; M280-R285 WeakPolarHBondContact O-CD 3.4Å; M280-V288 HydrophobicContact CE-CG2 4.21Å
281P86.9Confident89.8Confident77 Ų7743.7 Ų43.750%0.524%0.242SC..  trans-55.4138.4170.5-25.333.5000111.7K283 K284 R285P281-K283 VanDerWaalsContact C-N 3.32Å; P281-K283 PolarHBondContact O-N 3.21Å; P281-K284 HydrophobicContact CB-CG 4.5Å; P281-K284 HydrophobicContact CG-CD 4.33Å; P281-K284 WeakPolarHBondContact O-CA 3.12Å; P281-K284 WeakPolarHBondContact O-CB 3.47Å; P281-K284 PolarHBondContact O-N 3.35Å; P281-R285 PolarHBondContact O-N 2.81Å
282L80.4Confident89.8Confident40 Ų4042.6 Ų42.621%0.20924%0.237CC..Hα-helixtrans-53.2-45.9-17517961.2000112.8R89 I114 M280 K284 R285 V286R89-L282 HydrophobicContact CB-CD1 3.79Å; R89-L282 HydrophobicContact CG-CD1 4.44Å; I114-L282 HydrophobicContact CD1-CD2 4.29Å; I114-L282 HydrophobicContact CG2-CD2 3.89Å; M280-L282 PolarHBondContact O-N 2.85Å; L282-K284 PolarHBondContact O-N 3.36Å; L282-R285 WeakPolarHBondContact O-CA 3.31Å; L282-R285 WeakPolarHBondContact O-CB 3.31Å; L282-R285 PolarHBondContact O-N 3.26Å; L282-V286 HydrophobicContact CD1-CG2 3.97Å; L282-V286 HydrophobicContact CG-CG2 4.31Å; L282-V286 WeakPolarHBondContact O-CG2 3.4Å; L282-V286 PolarHBondContact O-N 3.23Å
283K85.9Confident89.5Confident130 Ų13041.7 Ų41.757%0.56523%0.232SC*.Hα-helixtrans-52.9-41.4177-175168-174.2171.10112.4P281 A287 W519P281-K283 VanDerWaalsContact C-N 3.32Å; P281-K283 PolarHBondContact O-N 3.21Å; K283-A287 WeakPolarHBondContact O-CB 3.47Å; K283-A287 PolarHBondContact O-N 3.33Å; K283-A287 VanDerWaalsContact O-N 3.16Å; K283-W519 HydrophobicContact CB-CE3 4.48Å; K283-W519 HydrophobicContact CB-CH2 4.2Å; K283-W519 HydrophobicContact CB-CZ3 3.59Å; K283-W519 HydrophobicContact CD-CE3 3.68Å; K283-W519 HydrophobicContact CD-CZ3 3.61Å; K283-W519 HydrophobicContact CG-CE3 3.93Å; K283-W519 HydrophobicContact CG-CZ3 3.52Å
284K90.5Very high89.3Confident132 Ų13249.8 Ų49.857%0.57426%0.261SS*.Hα-helixtrans-72.2-37.9176.8-66.5-173.6179.1177.50111.8M280 P281 L282 A287 V288M280-K284 HydrophobicContact CE-CB 4.18Å; P281-K284 HydrophobicContact CB-CG 4.5Å; P281-K284 HydrophobicContact CG-CD 4.33Å; P281-K284 WeakPolarHBondContact O-CA 3.12Å; P281-K284 WeakPolarHBondContact O-CB 3.47Å; P281-K284 PolarHBondContact O-N 3.35Å; L282-K284 PolarHBondContact O-N 3.36Å; K284-A287 PolarHBondContact O-N 2.81Å; K284-V288 WeakPolarHBondContact O-CB 3.25Å; K284-V288 VanDerWaalsContact O-CG2 3.31Å; K284-V288 WeakPolarHBondContact O-CG2 3.39Å; K284-V288 PolarHBondContact O-N 2.86Å
285R87.6Confident89.1Confident9 Ų951.8 Ų51.83%0.03427%0.269CS..Hα-helixtrans-63.3-46.1178.5-66.2-176.865.1-151.9-14.7111.9E90 L276 M280 P281 L282 V288 F289 I305E90-R285 IonicContact OE1-CZ 2.71Å; E90-R285 IonicContact OE1-NE 3.71Å; E90-R285 PolarHBondContact OE1-NE 3.05Å; E90-R285 IonicContact OE1-NH1 3.03Å; E90-R285 PolarHBondContact OE1-NH1 3.14Å; E90-R285 IonicContact OE1-NH2 3.79Å; E90-R285 PolarHBondContact OE1-NH2 3.5Å; E90-R285 IonicContact OE2-CZ 2.89Å; E90-R285 IonicContact OE2-NH1 3.94Å; E90-R285 IonicContact OE2-NH2 3.76Å; E90-R285 PolarHBondContact OE2-NH2 3.3Å; L276-R285 HydrophobicContact CD1-CB 3.75Å; L276-R285 HydrophobicContact CD1-CG 3.92Å; M280-R285 HydrophobicContact CB-CG 3.44Å; M280-R285 VanDerWaalsContact CB-CG 3.44Å; M280-R285 WeakPolarHBondContact O-CD 3.4Å; P281-R285 PolarHBondContact O-N 2.81Å; L282-R285 WeakPolarHBondContact O-CA 3.31Å; L282-R285 WeakPolarHBondContact O-CB 3.31Å; L282-R285 PolarHBondContact O-N 3.26Å; R285-V288 PolarHBondContact O-N 3.17Å; R285-F289 WeakPolarHBondContact O-CB 3.47Å; R285-F289 PolarHBondContact O-N 3.4Å; R285-I305 VanDerWaalsContact NH1-CD1 3.33Å
286V85.7Confident88.9Confident28 Ų2857.7 Ų57.717%0.1730%0.296CS..Hα-helixtrans-62.1-48.1175.6177.10000110.4L93 L282 V288 F289 E290L93-V286 HydrophobicContact CD2-CB 4.45Å; L93-V286 HydrophobicContact CD2-CG1 3.78Å; L93-V286 HydrophobicContact CD2-CG2 3.76Å; L282-V286 HydrophobicContact CD1-CG2 3.97Å; L282-V286 HydrophobicContact CG-CG2 4.31Å; L282-V286 WeakPolarHBondContact O-CG2 3.4Å; L282-V286 PolarHBondContact O-N 3.23Å; V286-V288 VanDerWaalsContact C-N 3.33Å; V286-V288 PolarHBondContact O-N 3.37Å; V286-F289 WeakPolarHBondContact O-CB 3.38Å; V286-F289 PolarHBondContact O-N 2.85Å; V286-F289 VanDerWaalsContact O-N 3.13Å; V286-E290 HydrophobicContact CG1-CG 4.45Å; V286-E290 WeakPolarHBondContact O-CG 3.41Å; V286-E290 PolarHBondContact O-N 3.03Å
287A91.3Very high89Confident54 Ų5462.6 Ų62.645%0.44632%0.319SS..Hα-helixtrans-58.6-42.5177.500000112.8K283 K284 D291K283-A287 WeakPolarHBondContact O-CB 3.47Å; K283-A287 PolarHBondContact O-N 3.33Å; K283-A287 VanDerWaalsContact O-N 3.16Å; K284-A287 PolarHBondContact O-N 2.81Å; A287-D291 WeakPolarHBondContact O-CB 3.33Å; A287-D291 PolarHBondContact O-N 3.38Å
288V92.5Very high89.2Confident23 Ų2361.4 Ų61.414%0.13931%0.314CS..Hα-helixtrans-67.4-40176.11700000111.8L274 S275 L276 M280 K284 R285 V286 D291 F292 L300L274-V288 HydrophobicContact CB-CG1 4.02Å; S275-V288 WeakPolarHBondContact O-CG1 3.33Å; L276-V288 HydrophobicContact CB-CG1 4.47Å; M280-V288 HydrophobicContact CE-CG2 4.21Å; K284-V288 WeakPolarHBondContact O-CB 3.25Å; K284-V288 VanDerWaalsContact O-CG2 3.31Å; K284-V288 WeakPolarHBondContact O-CG2 3.39Å; K284-V288 PolarHBondContact O-N 2.86Å; R285-V288 PolarHBondContact O-N 3.17Å; V286-V288 VanDerWaalsContact C-N 3.33Å; V286-V288 PolarHBondContact O-N 3.37Å; V288-D291 PolarHBondContact O-N 3.02Å; V288-F292 WeakPolarHBondContact O-CB 3.38Å; V288-F292 PolarHBondContact O-N 3.49Å; V288-L300 HydrophobicContact CG1-CD1 3.87Å
289F88.3Confident89.9Confident29 Ų2959.8 Ų59.813%0.12730%0.297CS..Hα-helixtrans-59.3-50.8176.3170.4-95000110.9R285 V286 F292 A293 L310 F312R285-F289 WeakPolarHBondContact O-CB 3.47Å; R285-F289 PolarHBondContact O-N 3.4Å; V286-F289 WeakPolarHBondContact O-CB 3.38Å; V286-F289 PolarHBondContact O-N 2.85Å; V286-F289 VanDerWaalsContact O-N 3.13Å; F289-F292 PolarHBondContact O-N 3.32Å; F289-A293 WeakPolarHBondContact O-CB 3.2Å; F289-A293 PolarHBondContact O-N 3.41Å; F289-L310 HydrophobicContact CD2-CD1 4.28Å; F289-L310 HydrophobicContact CD2-CD2 3.73Å; F289-L310 HydrophobicContact CD2-CG 4.42Å; F289-L310 HydrophobicContact CE2-CB 4.09Å; F289-L310 HydrophobicContact CE2-CD2 3.49Å; F289-L310 VanDerWaalsContact CE2-CD2 3.49Å; F289-L310 HydrophobicContact CE2-CG 4.26Å; F289-L310 HydrophobicContact CZ-CD2 4.15Å; F289-F312 HydrophobicContact CD2-CD1 4.04Å; F289-F312 AromaticContact CD2-CE1 3.23Å; F289-F312 HydrophobicContact CD2-CE1 3.23Å; F289-F312 AromaticContact CD2-CZ 3.8Å; F289-F312 HydrophobicContact CD2-CZ 3.8Å; F289-F312 AromaticContact CE2-CD1 3.84Å; F289-F312 HydrophobicContact CE2-CD1 3.84Å; F289-F312 AromaticContact CE2-CE1 3.46Å; F289-F312 HydrophobicContact CE2-CE1 3.46Å; F289-F312 VanDerWaalsContact CE2-CE1 3.46Å; F289-F312 HydrophobicContact CE2-CZ 4.08Å; F289-F312 HydrophobicContact CG-CE1 4.29Å
290E88.8Confident90.4Very high85 Ų8556.3 Ų56.340%0.39728%0.276SS..Hα-helixtrans-64-41.2177.8-70.3178.6-173.200112.7V286 A293 R294V286-E290 HydrophobicContact CG1-CG 4.45Å; V286-E290 WeakPolarHBondContact O-CG 3.41Å; V286-E290 PolarHBondContact O-N 3.03Å; E290-A293 PolarHBondContact O-N 3.13Å; E290-R294 WeakPolarHBondContact O-CB 3.02Å; E290-R294 PolarHBondContact O-N 3.47Å
291D93.1Very high90.8Very high51 Ų5155.2 Ų55.227%0.27327%0.271SS..Hα-helixtrans-63.7-45.1178-175.333.8000111.1L274 A287 V288 R294 K295L274-D291 HydrophobicContact CD1-CB 4.43Å; L274-D291 VanDerWaalsContact CD2-OD2 3.32Å; L274-D291 WeakPolarHBondContact CD2-OD2 3.26Å; A287-D291 WeakPolarHBondContact O-CB 3.33Å; A287-D291 PolarHBondContact O-N 3.38Å; V288-D291 PolarHBondContact O-N 3.02Å; D291-R294 PolarHBondContact O-N 3.21Å; D291-K295 VanDerWaalsContact CG-NZ 3.29Å; D291-K295 WeakPolarHBondContact O-CB 3.3Å; D291-K295 VanDerWaalsContact O-CG 3.32Å; D291-K295 WeakPolarHBondContact O-CG 3.39Å; D291-K295 PolarHBondContact O-N 3.46Å; D291-K295 WeakPolarHBondContact OD1-CE 3.28Å; D291-K295 IonicContact OD1-NZ 3.98Å; D291-K295 PolarHBondContact OD1-NZ 2.93Å; D291-K295 VanDerWaalsContact OD1-NZ 3.16Å; D291-K295 WeakPolarHBondContact OD2-CE 3.09Å; D291-K295 IonicContact OD2-NZ 3.7Å; D291-K295 PolarHBondContact OD2-NZ 2.92Å
292F92.8Very high91.2Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-66.5-38.7174.6-172.4-113.9000111.9K246 L274 V288 F289 R294 K295 A298 L300 F312 V315K246-F292 HydrophobicContact CD-CZ 4.27Å; K246-F292 WeakPolarHBondContact CE-O 3.32Å; K246-F292 HydrophobicContact CG-CE1 4.37Å; K246-F292 HydrophobicContact CG-CE2 3.77Å; K246-F292 HydrophobicContact CG-CZ 3.61Å; K246-F292 PolarHBondContact NZ-O 2.89Å; L274-F292 HydrophobicContact CD1-CB 3.68Å; L274-F292 HydrophobicContact CD1-CD2 4.06Å; L274-F292 HydrophobicContact CD1-CG 4.35Å; V288-F292 WeakPolarHBondContact O-CB 3.38Å; V288-F292 PolarHBondContact O-N 3.49Å; F289-F292 PolarHBondContact O-N 3.32Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 3.4Å; F292-K295 PolarHBondContact O-N 3.21Å; F292-A298 HydrophobicContact CD2-CB 3.78Å; F292-A298 HydrophobicContact CE2-CB 3.89Å; F292-L300 HydrophobicContact CB-CD2 4.33Å; F292-L300 HydrophobicContact CD1-CB 4.13Å; F292-L300 HydrophobicContact CD1-CD2 3.61Å; F292-L300 HydrophobicContact CD1-CG 4.48Å; F292-L300 HydrophobicContact CD2-CB 3.73Å; F292-L300 HydrophobicContact CE1-CB 4.02Å; F292-L300 HydrophobicContact CE1-CD2 3.97Å; F292-L300 HydrophobicContact CE2-CB 3.6Å; F292-L300 HydrophobicContact CG-CB 3.98Å; F292-L300 HydrophobicContact CG-CD2 3.92Å; F292-L300 HydrophobicContact CG-CG 4.46Å; F292-L300 HydrophobicContact CZ-CB 3.74Å; F292-F312 HydrophobicContact CD1-CB 4.3Å; F292-F312 AromaticContact CD1-CD1 3.44Å; F292-F312 HydrophobicContact CD1-CD1 3.44Å; F292-F312 VanDerWaalsContact CD1-CD1 3.44Å; F292-F312 AromaticContact CD1-CE1 3.72Å; F292-F312 HydrophobicContact CD1-CE1 3.72Å; F292-F312 AromaticContact CD1-CG 3.85Å; F292-F312 HydrophobicContact CD1-CG 3.85Å; F292-F312 HydrophobicContact CD1-CZ 4.41Å; F292-F312 HydrophobicContact CE1-CB 4.04Å; F292-F312 AromaticContact CE1-CD1 3.95Å; F292-F312 HydrophobicContact CE1-CD1 3.95Å; F292-F312 HydrophobicContact CE1-CD2 4.32Å; F292-F312 HydrophobicContact CE1-CE1 4.42Å; F292-F312 AromaticContact CE1-CG 3.85Å; F292-F312 HydrophobicContact CE1-CG 3.85Å; F292-V315 HydrophobicContact CE1-CG2 4.18Å; F292-V315 HydrophobicContact CZ-CG2 4.49Å
293A88.7Confident91.7Very high26 Ų2650.2 Ų50.222%0.21524%0.24CC..Hα-helixtrans-60-43.4176.800000111.7K246 F289 E290 P313K246-A293 PolarHBondContact NZ-O 3.45Å; K246-A293 VanDerWaalsContact NZ-O 3.08Å; F289-A293 WeakPolarHBondContact O-CB 3.2Å; F289-A293 PolarHBondContact O-N 3.41Å; E290-A293 PolarHBondContact O-N 3.13Å; A293-P313 HydrophobicContact CB-CG 4.48Å
294R91.2Very high91.6Very high186 Ų18645.6 Ų45.670%0.70222%0.222SC*.Hα-helixtrans-70.7-38.1-180-170.9-171.7-44.3-145.71113.8E290 D291 F292E290-R294 WeakPolarHBondContact O-CB 3.02Å; E290-R294 PolarHBondContact O-N 3.47Å; D291-R294 PolarHBondContact O-N 3.21Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 3.4Å
295K93.1Very high91.1Very high56 Ų5640.8 Ų40.824%0.24320%0.202CC..  trans-68.6137.6-176.6-78.3172.2175.3163.80111.7K246 S272 L274 D291 F292 A298K246-K295 WeakPolarHBondContact CE-O 3.29Å; K246-K295 PolarHBondContact NZ-O 2.89Å; S272-K295 PolarHBondContact OG-NZ 3.34Å; L274-K295 HydrophobicContact CD1-CD 4.38Å; D291-K295 VanDerWaalsContact CG-NZ 3.29Å; D291-K295 WeakPolarHBondContact O-CB 3.3Å; D291-K295 VanDerWaalsContact O-CG 3.32Å; D291-K295 WeakPolarHBondContact O-CG 3.39Å; D291-K295 PolarHBondContact O-N 3.46Å; D291-K295 WeakPolarHBondContact OD1-CE 3.28Å; D291-K295 IonicContact OD1-NZ 3.98Å; D291-K295 PolarHBondContact OD1-NZ 2.93Å; D291-K295 VanDerWaalsContact OD1-NZ 3.16Å; D291-K295 WeakPolarHBondContact OD2-CE 3.09Å; D291-K295 IonicContact OD2-NZ 3.7Å; D291-K295 PolarHBondContact OD2-NZ 2.92Å; F292-K295 PolarHBondContact O-N 3.21Å; K295-A298 HydrophobicContact CB-CB 4.05Å; K295-A298 HydrophobicContact CD-CB 4.06Å
296Q91.2Very high90.5Very high131 Ų13140.4 Ų40.461%0.61220%0.2SC*.SBendtrans-84.1-30.1172.4-60.3-57.7-41.900112.1
297H93.7Very high89.7Confident103 Ų10339 Ų3948%0.47719%0.192SC..SBendtrans-134109.5-178.1-50-42.7000109.6K244K244-H297 PolarHBondContact O-CE1 3.02Å; K244-H297 PolarHBondContact O-ND1 3.24Å
298A95.7Very high88.8Confident0 Ų036.9 Ų36.90%017%0.173CC..EExtended strand (participates in β ladder)trans-165.7155.6-178.800000110.4L245 K246 I247 S272 F292 K295L245-A298 PolarHBondContact O-N 3.33Å; K246-A298 CarbonylContact C-O 3.56Å; K246-A298 WeakPolarHBondContact CA-O 3.49Å; I247-A298 PolarHBondContact N-O 3.21Å; S272-A298 CarbonylContact O-C 3.49Å; S272-A298 VanDerWaalsContact O-CA 3.28Å; S272-A298 WeakPolarHBondContact O-CA 3.16Å; F292-A298 HydrophobicContact CD2-CB 3.78Å; F292-A298 HydrophobicContact CE2-CB 3.89Å; K295-A298 HydrophobicContact CB-CB 4.05Å; K295-A298 HydrophobicContact CD-CB 4.06Å
299A96.5Very high87.4Confident0 Ų036.2 Ų36.20%017%0.17CC..EExtended strand (participates in β ladder)trans-112.8125.5166.700000110.2L239 I247 I249 L271 S272 L273 L274L239-A299 HydrophobicContact CD2-CB 3.79Å; I247-A299 HydrophobicContact CB-CB 4.25Å; I247-A299 CarbonylContact O-C 3.28Å; I247-A299 VanDerWaalsContact O-CA 3.26Å; I247-A299 WeakPolarHBondContact O-CA 3.46Å; I249-A299 HydrophobicContact CD1-CB 3.84Å; L271-A299 HydrophobicContact CD1-CB 3.48Å; L271-A299 VanDerWaalsContact CD1-CB 3.48Å; S272-A299 PolarHBondContact O-N 2.91Å; L273-A299 WeakPolarHBondContact CA-O 3.24Å; L273-A299 HydrophobicContact CD2-CB 3.92Å; L274-A299 PolarHBondContact N-O 2.96Å
300L96.2Very high86.9Confident0 Ų034.8 Ų34.80%016%0.164CC..EExtended strand (participates in β ladder)trans-104.4113.5174.3179.760.2000109.5I247 L248 I249 L274 L276 V288 F292 A302 F312I247-L300 PolarHBondContact O-N 3.49Å; L248-L300 HydrophobicContact CD1-CB 3.94Å; L248-L300 HydrophobicContact CD1-CD2 3.78Å; L248-L300 HydrophobicContact CD1-CG 3.88Å; I249-L300 PolarHBondContact N-O 2.68Å; L274-L300 HydrophobicContact CB-CD1 3.68Å; L276-L300 HydrophobicContact CB-CD1 3.86Å; L276-L300 HydrophobicContact CB-CD2 4.41Å; L276-L300 HydrophobicContact CB-CG 4.45Å; L276-L300 HydrophobicContact CD2-CD2 4.43Å; V288-L300 HydrophobicContact CG1-CD1 3.87Å; F292-L300 HydrophobicContact CB-CD2 4.33Å; F292-L300 HydrophobicContact CD1-CB 4.13Å; F292-L300 HydrophobicContact CD1-CD2 3.61Å; F292-L300 HydrophobicContact CD1-CG 4.48Å; F292-L300 HydrophobicContact CD2-CB 3.73Å; F292-L300 HydrophobicContact CE1-CB 4.02Å; F292-L300 HydrophobicContact CE1-CD2 3.97Å; F292-L300 HydrophobicContact CE2-CB 3.6Å; F292-L300 HydrophobicContact CG-CB 3.98Å; F292-L300 HydrophobicContact CG-CD2 3.92Å; F292-L300 HydrophobicContact CG-CG 4.46Å; F292-L300 HydrophobicContact CZ-CB 3.74Å; L300-A302 HydrophobicContact CG-CB 4.45Å; L300-F312 HydrophobicContact CD2-CE1 4.07Å; L300-F312 HydrophobicContact CD2-CE2 4.23Å; L300-F312 HydrophobicContact CD2-CZ 3.71Å
301F96.7Very high86.2Confident0 Ų032.5 Ų32.50%015%0.154CC..EExtended strand (participates in β ladder)trans-81.7122.2168.1-57.2-75.2000109.3L235 L239 I249 L251 V257 V260 Y261 F264 L273 L274 S275 L276L235-F301 HydrophobicContact CD1-CE1 4.49Å; L235-F301 HydrophobicContact CD2-CE1 3.88Å; L239-F301 HydrophobicContact CD1-CE1 4.3Å; L239-F301 HydrophobicContact CD1-CZ 3.94Å; I249-F301 HydrophobicContact CB-CD1 3.97Å; I249-F301 HydrophobicContact CB-CE1 4.48Å; I249-F301 HydrophobicContact CD1-CD1 3.68Å; I249-F301 HydrophobicContact CD1-CE1 3.45Å; I249-F301 VanDerWaalsContact CD1-CE1 3.45Å; I249-F301 HydrophobicContact CD1-CZ 4.18Å; I249-F301 HydrophobicContact CG1-CD1 4.46Å; I249-F301 HydrophobicContact CG2-CD1 4.03Å; I249-F301 HydrophobicContact CG2-CE1 4.42Å; L251-F301 HydrophobicContact CD1-CB 4.19Å; L251-F301 HydrophobicContact CD1-CD1 4.08Å; V257-F301 HydrophobicContact CG1-CB 3.82Å; V257-F301 WeakPolarHBondContact CG1-O 3.14Å; V260-F301 HydrophobicContact CG1-CD1 3.98Å; V260-F301 HydrophobicContact CG1-CE1 3.69Å; V260-F301 HydrophobicContact CG1-CZ 4.07Å; Y261-F301 HydrophobicContact CD2-CD2 4.09Å; Y261-F301 HydrophobicContact CD2-CE2 4.47Å; F264-F301 HydrophobicContact CB-CZ 4.31Å; F264-F301 HydrophobicContact CD1-CZ 4.22Å; F264-F301 HydrophobicContact CG-CZ 4.34Å; L273-F301 HydrophobicContact CB-CE2 4.21Å; L273-F301 HydrophobicContact CD1-CE2 4.21Å; L273-F301 HydrophobicContact CD2-CE2 3.94Å; L273-F301 HydrophobicContact CD2-CZ 4.21Å; L273-F301 HydrophobicContact CG-CE2 4.35Å; L274-F301 WeakPolarHBondContact O-CD2 3.46Å; L274-F301 PolarHBondContact O-N 2.95Å; S275-F301 CarbonylContact C-O 3.51Å; S275-F301 VanDerWaalsContact CA-O 3.24Å; S275-F301 WeakPolarHBondContact CA-O 3.46Å; L276-F301 PolarHBondContact N-O 3.16Å
302A94.3Very high85.8Confident0 Ų030.2 Ų30.20%014%0.142CC..EExtended strand (participates in β ladder)trans-139.3158.6-175.200000113.4L248 I249 F250 L251 L276 L300 A306L248-A302 HydrophobicContact CD1-CB 4.06Å; I249-A302 PolarHBondContact O-N 3.16Å; F250-A302 WeakPolarHBondContact CA-O 3.27Å; F250-A302 HydrophobicContact CE1-CB 4.45Å; L251-A302 PolarHBondContact N-O 3.38Å; L276-A302 HydrophobicContact CB-CB 4.46Å; L276-A302 VanDerWaalsContact O-CA 3.27Å; L276-A302 WeakPolarHBondContact O-CA 3.47Å; L300-A302 HydrophobicContact CG-CB 4.45Å; A302-A306 HydrophobicContact CB-CB 3.47Å; A302-A306 VanDerWaalsContact CB-CB 3.47Å
303T91.8Very high85.3Confident11 Ų1133.4 Ų33.47%0.06716%0.163CC..  trans-96.2-177.2164.854.70000110V257 L276 I305 A306V257-T303 HydrophobicContact CG2-CG2 3.71Å; L276-T303 PolarHBondContact O-N 3.16Å; T303-I305 PolarHBondContact O-N 3.49Å; T303-A306 PolarHBondContact O-N 3.44Å
304D84.5Confident85.1Confident33 Ų3334.2 Ų34.218%0.17617%0.169CC..G310 helixtrans-59.1-9.9178.6-68.1-51.3000115.7A306 A307 E329 R333D304-A306 PolarHBondContact O-N 3.18Å; D304-A307 HydrophobicContact CB-CB 4.34Å; D304-A307 WeakPolarHBondContact O-CB 3.44Å; D304-A307 PolarHBondContact O-N 3.39Å; D304-E329 VanDerWaalsContact CG-OE1 3.3Å; D304-R333 IonicContact OD1-CZ 3.67Å; D304-R333 IonicContact OD1-NE 3.6Å; D304-R333 PolarHBondContact OD1-NE 3.16Å; D304-R333 IonicContact OD1-NH2 2.78Å; D304-R333 PolarHBondContact OD1-NH2 2.85Å; D304-R333 IonicContact OD2-NH2 3.56Å; D304-R333 PolarHBondContact OD2-NH2 2.86Å
305I79.1Confident85.2Confident32 Ų3225.6 Ų25.616%0.16414%0.137CC..G310 helixtrans-61.8-27.5170.2-152.6155000112.5T88 L276 R285 T303T88-I305 HydrophobicContact CG2-CG1 4.41Å; L276-I305 HydrophobicContact CG-CG2 4.43Å; R285-I305 VanDerWaalsContact NH1-CD1 3.33Å; T303-I305 PolarHBondContact O-N 3.49Å
306A76.2Confident85.2Confident0 Ų025.7 Ų25.70%014%0.141CC..G310 helixtrans-91.8-6.7174.100000113.8F250 L276 A302 T303 D304 R308 F312 R336F250-A306 HydrophobicContact CE1-CB 4.06Å; F250-A306 HydrophobicContact CZ-CB 4.5Å; L276-A306 HydrophobicContact CD2-CB 4.11Å; A302-A306 HydrophobicContact CB-CB 3.47Å; A302-A306 VanDerWaalsContact CB-CB 3.47Å; T303-A306 PolarHBondContact O-N 3.44Å; D304-A306 PolarHBondContact O-N 3.18Å; A306-R308 VanDerWaalsContact C-N 3.32Å; A306-F312 HydrophobicContact CB-CE2 4.27Å; A306-R336 WeakPolarHBondContact O-CD 3.4Å
307A67.6Low85.3Confident0 Ų020.5 Ų20.50%012%0.116CC..THydrogen-bonded Turntrans-77.4-20-176.200000113F250 D304 H332 R333 R336F250-A307 HydrophobicContact CD1-CB 4.46Å; F250-A307 HydrophobicContact CE1-CB 3.69Å; F250-A307 HydrophobicContact CZ-CB 3.92Å; D304-A307 HydrophobicContact CB-CB 4.34Å; D304-A307 WeakPolarHBondContact O-CB 3.44Å; D304-A307 PolarHBondContact O-N 3.39Å; A307-H332 CarbonylContact O-C 3.54Å; A307-H332 VanDerWaalsContact O-C 3.28Å; A307-R333 HydrophobicContact CB-CB 4.44Å; A307-R333 HydrophobicContact CB-CG 3.52Å; A307-R336 PolarHBondContact O-NE 2.79Å; A307-R336 PolarHBondContact O-NH2 3.43Å
308R72.1Confident85.4Confident9 Ų915.6 Ų15.63%0.0349%0.093CC..SBendtrans-133.5144.7-170.5-78.1-178.5167.1101.3-15.9110.5E154 D160 A306 L310 H332E154-R308 WeakPolarHBondContact OE2-CB 3.4Å; D160-R308 IonicContact OD2-CZ 3.55Å; D160-R308 IonicContact OD2-NH2 2.53Å; D160-R308 PolarHBondContact OD2-NH2 3Å; A306-R308 VanDerWaalsContact C-N 3.32Å; R308-L310 PolarHBondContact O-N 2.59Å; R308-H332 HydrophobicContact CG-CB 3.89Å; R308-H332 PolarHBondContact NE-ND1 3.07Å; R308-H332 PolarHBondContact NH2-ND1 2.84Å
309G64.2Low85.4Confident8 Ų815.6 Ų15.68%0.0829%0.093CC..SBendtrans74.2-51.5179.500000116.6E154 D311 R336E154-G309 VanDerWaalsContact CD-N 3.26Å; E154-G309 WeakPolarHBondContact OE1-CA 3.35Å; E154-G309 PolarHBondContact OE1-N 3.5Å; E154-G309 PolarHBondContact OE2-N 3.15Å; E154-G309 VanDerWaalsContact OE2-N 3.09Å; G309-D311 PolarHBondContact O-N 2.72Å; G309-R336 VanDerWaalsContact C-NH1 3.26Å; G309-R336 VanDerWaalsContact N-NH1 3.11Å
310L76.5Confident85.4Confident0 Ų015.6 Ų15.60%09%0.093CC..  trans-66.4130-168.1-71.7175.9000113.9E90 L276 F289 R308 F312 R336 R339E90-L310 HydrophobicContact CB-CD1 4.06Å; E90-L310 HydrophobicContact CB-CD2 3.24Å; E90-L310 HydrophobicContact CB-CG 4.08Å; E90-L310 HydrophobicContact CG-CD1 4.35Å; E90-L310 HydrophobicContact CG-CD2 4.25Å; L276-L310 HydrophobicContact CD2-CD1 3.98Å; F289-L310 HydrophobicContact CD2-CD1 4.28Å; F289-L310 HydrophobicContact CD2-CD2 3.73Å; F289-L310 HydrophobicContact CD2-CG 4.42Å; F289-L310 HydrophobicContact CE2-CB 4.09Å; F289-L310 HydrophobicContact CE2-CD2 3.49Å; F289-L310 VanDerWaalsContact CE2-CD2 3.49Å; F289-L310 HydrophobicContact CE2-CG 4.26Å; F289-L310 HydrophobicContact CZ-CD2 4.15Å; R308-L310 PolarHBondContact O-N 2.59Å; L310-F312 HydrophobicContact CB-CE2 4Å; L310-F312 HydrophobicContact CB-CZ 4.11Å; L310-F312 HydrophobicContact CD1-CZ 4.22Å; L310-R336 VanDerWaalsContact N-NH1 3.12Å; L310-R336 PolarHBondContact O-NH1 2.88Å; L310-R339 PolarHBondContact O-NH1 3.42Å; L310-R339 PolarHBondContact O-NH2 2.99Å
311D76Confident85.4Confident37 Ų3715.8 Ų15.820%0.1989%0.094CC..  trans-99.4110.2175.8-163.523.6000112.7Q94 G309 R339Q94-D311 VanDerWaalsContact OE1-N 3.08Å; G309-D311 PolarHBondContact O-N 2.72Å; D311-R339 VanDerWaalsContact CG-NH1 3.3Å; D311-R339 VanDerWaalsContact OD1-CD 3.23Å; D311-R339 WeakPolarHBondContact OD1-CD 3.32Å; D311-R339 IonicContact OD1-CZ 3.01Å; D311-R339 IonicContact OD1-NE 2.83Å; D311-R339 IonicContact OD1-NH1 3.15Å; D311-R339 PolarHBondContact OD1-NH1 2.86Å
312F82.8Confident85.2Confident2 Ų216 Ų161%0.00910%0.095CC..  trans-107.3112.6173.5-60.6-60.7000108.7L248 L276 F289 F292 L300 A306 L310 V315L248-F312 HydrophobicContact CD2-CD2 4.22Å; L248-F312 HydrophobicContact CD2-CE2 4.35Å; L276-F312 HydrophobicContact CD2-CZ 4.25Å; F289-F312 HydrophobicContact CD2-CD1 4.04Å; F289-F312 AromaticContact CD2-CE1 3.23Å; F289-F312 HydrophobicContact CD2-CE1 3.23Å; F289-F312 AromaticContact CD2-CZ 3.8Å; F289-F312 HydrophobicContact CD2-CZ 3.8Å; F289-F312 AromaticContact CE2-CD1 3.84Å; F289-F312 HydrophobicContact CE2-CD1 3.84Å; F289-F312 AromaticContact CE2-CE1 3.46Å; F289-F312 HydrophobicContact CE2-CE1 3.46Å; F289-F312 VanDerWaalsContact CE2-CE1 3.46Å; F289-F312 HydrophobicContact CE2-CZ 4.08Å; F289-F312 HydrophobicContact CG-CE1 4.29Å; F292-F312 HydrophobicContact CD1-CB 4.3Å; F292-F312 AromaticContact CD1-CD1 3.44Å; F292-F312 HydrophobicContact CD1-CD1 3.44Å; F292-F312 VanDerWaalsContact CD1-CD1 3.44Å; F292-F312 AromaticContact CD1-CE1 3.72Å; F292-F312 HydrophobicContact CD1-CE1 3.72Å; F292-F312 AromaticContact CD1-CG 3.85Å; F292-F312 HydrophobicContact CD1-CG 3.85Å; F292-F312 HydrophobicContact CD1-CZ 4.41Å; F292-F312 HydrophobicContact CE1-CB 4.04Å; F292-F312 AromaticContact CE1-CD1 3.95Å; F292-F312 HydrophobicContact CE1-CD1 3.95Å; F292-F312 HydrophobicContact CE1-CD2 4.32Å; F292-F312 HydrophobicContact CE1-CE1 4.42Å; F292-F312 AromaticContact CE1-CG 3.85Å; F292-F312 HydrophobicContact CE1-CG 3.85Å; L300-F312 HydrophobicContact CD2-CE1 4.07Å; L300-F312 HydrophobicContact CD2-CE2 4.23Å; L300-F312 HydrophobicContact CD2-CZ 3.71Å; A306-F312 HydrophobicContact CB-CE2 4.27Å; L310-F312 HydrophobicContact CB-CE2 4Å; L310-F312 HydrophobicContact CB-CZ 4.11Å; L310-F312 HydrophobicContact CD1-CZ 4.22Å; F312-V315 HydrophobicContact CB-CG2 3.49Å; F312-V315 VanDerWaalsContact CB-CG2 3.49Å
313P83.1Confident85Confident67 Ų6716 Ų1644%0.43510%0.095SC..THydrogen-bonded Turntrans-68.2141.2179.827.3-33.8000110.6K246 A293 V315K246-P313 PolarHBondContact NZ-O 3.35Å; A293-P313 HydrophobicContact CB-CG 4.48Å; P313-V315 PolarHBondContact O-N 2.83Å
314A85Confident85Confident43 Ų4315.5 Ų15.536%0.3559%0.092SC..THydrogen-bonded Turntrans52.842.9170.600000115.2D316A314-D316 PolarHBondContact O-N 2.93Å
315V92Very high85.1Confident5 Ų516.1 Ų16.13%0.0310%0.099CC..  trans-70.7121.8169.7178.30000109.1K246 L248 F292 F312 P313 W317 V318 T337K246-V315 HydrophobicContact CD-CG2 4.44Å; L248-V315 HydrophobicContact CB-CG1 4.11Å; F292-V315 HydrophobicContact CE1-CG2 4.18Å; F292-V315 HydrophobicContact CZ-CG2 4.49Å; F312-V315 HydrophobicContact CB-CG2 3.49Å; F312-V315 VanDerWaalsContact CB-CG2 3.49Å; P313-V315 PolarHBondContact O-N 2.83Å; V315-W317 VanDerWaalsContact CG1-O 3.3Å; V315-W317 WeakPolarHBondContact CG1-O 3.45Å; V315-V318 HydrophobicContact CG1-CG2 4.15Å; V315-T337 WeakPolarHBondContact O-CB 3.47Å; V315-T337 PolarHBondContact O-OG1 2.91Å
316D93.6Very high85.3Confident59 Ų5917.5 Ų17.532%0.31611%0.107SC..  trans-80.3-42.5179.8-62.1-64.4000112.2L245 K246 A314 R345L245-D316 WeakPolarHBondContact CA-OD2 3.48Å; L245-D316 HydrophobicContact CB-CB 4.12Å; L245-D316 HydrophobicContact CD1-CB 4.5Å; L245-D316 HydrophobicContact CD2-CB 4.28Å; K246-D316 PolarHBondContact N-OD2 2.77Å; K246-D316 PolarHBondContact O-N 3.03Å; A314-D316 PolarHBondContact O-N 2.93Å; D316-R345 PolarHBondContact O-N 3.49Å
317W94.9Very high85.8Confident22 Ų2219 Ų198%0.08312%0.115CC..EExtended strand (participates in β ladder)trans-128.2132.8-176.3-7895.7000112F238 H242 L245 K246 I247 L248 V315 R345 L347F238-W317 HydrophobicContact CE2-CD2 4.34Å; F238-W317 HydrophobicContact CE2-CE3 4.28Å; F238-W317 HydrophobicContact CE2-CZ3 4.44Å; F238-W317 HydrophobicContact CZ-CB 4.25Å; F238-W317 AromaticContact CZ-CD2 3.76Å; F238-W317 HydrophobicContact CZ-CD2 3.76Å; F238-W317 AromaticContact CZ-CE3 3.93Å; F238-W317 HydrophobicContact CZ-CE3 3.93Å; F238-W317 AromaticContact CZ-CG 3.94Å; F238-W317 HydrophobicContact CZ-CG 3.94Å; H242-W317 AromaticContact CD2-NE1 3.78Å; H242-W317 AromaticContact NE2-NE1 3.9Å; L245-W317 VanDerWaalsContact CD1-CD1 3.44Å; K246-W317 PolarHBondContact O-N 2.82Å; K246-W317 VanDerWaalsContact O-N 3.14Å; I247-W317 CarbonylContact C-O 3.46Å; I247-W317 WeakPolarHBondContact CA-O 3.43Å; I247-W317 HydrophobicContact CB-CB 4.49Å; I247-W317 HydrophobicContact CG1-CB 4.29Å; I247-W317 HydrophobicContact CG2-CB 4.06Å; L248-W317 PolarHBondContact N-O 2.82Å; V315-W317 VanDerWaalsContact CG1-O 3.3Å; V315-W317 WeakPolarHBondContact CG1-O 3.45Å; W317-R345 CarbonylContact C-O 3.54Å; W317-R345 VanDerWaalsContact CA-O 3.3Å; W317-R345 WeakPolarHBondContact CA-O 3.37Å; W317-R345 HydrophobicContact CD2-CB 3.69Å; W317-R345 HydrophobicContact CE3-CB 3.47Å; W317-R345 VanDerWaalsContact CE3-CB 3.47Å; W317-R345 HydrophobicContact CG-CB 4.41Å; W317-R345 HydrophobicContact CH2-CB 3.97Å; W317-R345 HydrophobicContact CH2-CG 4.45Å; W317-R345 HydrophobicContact CZ2-CB 4.17Å; W317-R345 HydrophobicContact CZ2-CG 4.39Å; W317-R345 HydrophobicContact CZ3-CB 3.6Å; W317-L347 HydrophobicContact CE3-CB 4.26Å; W317-L347 HydrophobicContact CZ3-CB 3.95Å
318V94.9Very high86.6Confident0 Ų021.7 Ų21.70%013%0.13CC..EExtended strand (participates in β ladder)trans-107.9114.4160.11780000108.2L248 F250 V315 R336 T337 R345 A346 L347L248-V318 HydrophobicContact CB-CG2 4.38Å; L248-V318 CarbonylContact O-C 3.55Å; L248-V318 WeakPolarHBondContact O-CA 3.29Å; F250-V318 HydrophobicContact CD2-CG1 3.82Å; F250-V318 HydrophobicContact CE2-CG1 3.72Å; V315-V318 HydrophobicContact CG1-CG2 4.15Å; V318-R336 HydrophobicContact CG2-CB 4.09Å; V318-T337 HydrophobicContact CB-CG2 4.16Å; V318-T337 HydrophobicContact CG2-CG2 3.51Å; V318-R345 PolarHBondContact N-O 3.08Å; V318-A346 CarbonylContact O-C 3.46Å; V318-A346 VanDerWaalsContact O-CA 3.27Å; V318-A346 WeakPolarHBondContact O-CA 3.33Å; V318-L347 PolarHBondContact O-N 3.48Å
319L96.3Very high87.2Confident0 Ų021.8 Ų21.80%013%0.131CC..EExtended strand (participates in β ladder)trans-103.1119176.2178.164000109.5F234 L235 F238 L248 I249 F250 L321 L347 V349F234-L319 HydrophobicContact CE1-CD1 4.07Å; L235-L319 HydrophobicContact CD1-CD2 3.47Å; L235-L319 VanDerWaalsContact CD1-CD2 3.47Å; F238-L319 HydrophobicContact CD1-CD2 3.86Å; F238-L319 HydrophobicContact CE1-CB 4.46Å; F238-L319 HydrophobicContact CE1-CD2 4.15Å; F238-L319 HydrophobicContact CG-CD2 4.28Å; L248-L319 PolarHBondContact O-N 3.43Å; I249-L319 CarbonylContact C-O 3.52Å; I249-L319 VanDerWaalsContact CA-O 3.27Å; I249-L319 WeakPolarHBondContact CA-O 3.31Å; I249-L319 HydrophobicContact CG1-CB 4.18Å; I249-L319 HydrophobicContact CG1-CD2 4.36Å; I249-L319 HydrophobicContact CG2-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CG 4.44Å; F250-L319 PolarHBondContact N-O 2.81Å; L319-L321 PolarHBondContact O-N 3.23Å; L319-L347 HydrophobicContact CD1-CB 3.87Å; L319-L347 HydrophobicContact CD1-CD2 3.98Å; L319-L347 HydrophobicContact CD1-CG 3.93Å; L319-V349 HydrophobicContact CD1-CG2 3.96Å
320H95.8Very high88.4Confident0 Ų021.4 Ų21.40%013%0.127CC..EExtended strand (participates in β ladder)trans-93.793.9170.8-54.3-133.3000106.1Y330 R333 S334 L347 L348 V349H320-Y330 AromaticContact CE1-CD2 3.64Å; H320-Y330 AromaticContact CE1-CE2 3.9Å; H320-Y330 AromaticContact ND1-CD2 3.96Å; H320-R333 WeakPolarHBondContact CE1-CB 3.46Å; H320-S334 PolarHBondContact CE1-OG 2.73Å; H320-S334 PolarHBondContact NE2-OG 3.15Å; H320-L347 PolarHBondContact N-O 3.16Å; H320-L348 HydrophobicContact CB-CD1 3.63Å; H320-V349 WeakPolarHBondContact O-CB 3.42Å; H320-V349 PolarHBondContact O-N 3.05Å
321L95.6Very high88.8Confident4 Ų422.6 Ų22.62%0.02113%0.133CC..SBendtrans-72.6-39.9179.7-174.968000110.7K231 F234 L235 I249 F250 L251 L319 V349K231-L321 HydrophobicContact CB-CD1 4.12Å; K231-L321 WeakPolarHBondContact CE-O 3.47Å; F234-L321 HydrophobicContact CD1-CD1 4.44Å; L235-L321 HydrophobicContact CB-CD1 4.03Å; L235-L321 HydrophobicContact CB-CD2 4.4Å; L235-L321 HydrophobicContact CD1-CD1 4.43Å; L235-L321 HydrophobicContact CD1-CD2 4.48Å; L235-L321 HydrophobicContact CD2-CD2 3.64Å; L235-L321 HydrophobicContact CG-CD2 4.39Å; I249-L321 HydrophobicContact CG2-CB 4.14Å; F250-L321 PolarHBondContact O-N 3.29Å; F250-L321 VanDerWaalsContact O-N 3.08Å; L251-L321 HydrophobicContact CD2-CD2 3.84Å; L251-L321 HydrophobicContact CG-CD2 4.18Å; L319-L321 PolarHBondContact O-N 3.23Å; L321-V349 HydrophobicContact CD1-CG2 4.48Å
322D93.5Very high89.1Confident3 Ų321 Ų212%0.01612%0.124CC..SBendtrans-103.1141.2167.7-68.2-35.2000110.4K231 F250 N252 Q256 R333 Y406K231-D322 IonicContact NZ-OD1 3.77Å; K231-D322 PolarHBondContact NZ-OD1 3Å; F250-D322 PolarHBondContact O-N 3.26Å; N252-D322 HydrophobicContact CB-CB 4.2Å; N252-D322 VanDerWaalsContact CG-CB 3.44Å; N252-D322 PolarHBondContact N-OD2 2.84Å; N252-D322 VanDerWaalsContact N-OD2 3.16Å; N252-D322 WeakPolarHBondContact OD1-CB 3.45Å; Q256-D322 PolarHBondContact NE2-OD2 2.96Å; Q256-D322 PolarHBondContact OE1-OD2 3.19Å; D322-R333 PolarHBondContact O-NH1 3.07Å; D322-Y406 WeakPolarHBondContact OD1-CE2 3.34Å
323C90.7Very high89.4Confident1 Ų120.9 Ų20.91%0.00712%0.124CC..PPolyproline II helixtrans-63.3130.9-179.7-165.40000110.3N252 L357 F419N252-C323 PolarHBondContact ND2-O 3.34Å; C323-L357 WeakPolarHBondContact SG-CD2 3.28Å; C323-F419 HydrophobicContact CB-CE1 4.07Å
324P90.5Very high89.7Confident0 Ų017.7 Ų17.70%010%0.103CC..PPolyproline II helixtrans-67.3155.817628.5-31.9000110.8D326 E329 Y330 L348 L357 F419P324-D326 VanDerWaalsContact C-N 3.34Å; P324-D326 PolarHBondContact O-N 2.73Å; P324-E329 HydrophobicContact CB-CB 4.09Å; P324-E329 HydrophobicContact CB-CG 4.01Å; P324-Y330 HydrophobicContact CG-CD2 4.18Å; P324-L348 HydrophobicContact CG-CD1 4.48Å; P324-L357 HydrophobicContact CG-CD2 4.11Å; P324-F419 VanDerWaalsContact O-CZ 3.29Å; P324-F419 WeakPolarHBondContact O-CZ 3.48Å
325S86Confident89.5Confident46 Ų4615.7 Ų15.732%0.3229%0.087SC..SBendtrans-69.4-32-17669.50000113.4E329 F419S325-E329 VanDerWaalsContact CB-OE2 3.25Å; S325-E329 WeakPolarHBondContact CB-OE2 3.39Å; S325-E329 PolarHBondContact N-OE2 2.8Å; S325-E329 PolarHBondContact OG-OE2 2.96Å; S325-F419 WeakPolarHBondContact O-CE2 3.35Å
326D84.9Confident89.2Confident62 Ų6215.6 Ų15.633%0.3329%0.086SC..SBendtrans-146.2176.8-179.770.825.5000112.8P324 N328 E329 Y330P324-D326 VanDerWaalsContact C-N 3.34Å; P324-D326 PolarHBondContact O-N 2.73Å; D326-N328 VanDerWaalsContact C-N 3.34Å; D326-N328 WeakPolarHBondContact OD1-CA 3.36Å; D326-N328 WeakPolarHBondContact OD1-CB 3.48Å; D326-N328 PolarHBondContact OD1-N 2.99Å; D326-E329 VanDerWaalsContact OD1-CB 3.25Å; D326-E329 WeakPolarHBondContact OD1-CB 3.33Å; D326-E329 PolarHBondContact OD1-N 2.85Å; D326-Y330 PolarHBondContact O-N 2.79Å
327V86.7Confident88.8Confident30 Ų3012.9 Ų12.918%0.1827%0.071CC..Hα-helixtrans-65.5-35.4178.8171.20000112.1Y330 I331 A360 L361 A364V327-Y330 WeakPolarHBondContact O-CB 3.37Å; V327-Y330 PolarHBondContact O-N 2.85Å; V327-I331 HydrophobicContact CG1-CD1 3.96Å; V327-I331 WeakPolarHBondContact O-CG1 2.95Å; V327-I331 PolarHBondContact O-N 2.87Å; V327-A360 HydrophobicContact CG2-CB 4.17Å; V327-L361 HydrophobicContact CB-CD2 4.26Å; V327-L361 HydrophobicContact CG1-CD2 4.04Å; V327-L361 HydrophobicContact CG2-CD2 4.06Å; V327-A364 HydrophobicContact CG1-CB 3.51Å
328N82.7Confident88.2Confident57 Ų5712.3 Ų12.331%0.3057%0.071SC..Hα-helixtrans-70-42.5-176.6-67.8-36.8000110.9D326 Y330 I331 H332D326-N328 VanDerWaalsContact C-N 3.34Å; D326-N328 WeakPolarHBondContact OD1-CA 3.36Å; D326-N328 WeakPolarHBondContact OD1-CB 3.48Å; D326-N328 PolarHBondContact OD1-N 2.99Å; N328-Y330 VanDerWaalsContact C-N 3.31Å; N328-Y330 PolarHBondContact O-N 2.56Å; N328-I331 PolarHBondContact O-N 2.9Å; N328-H332 VanDerWaalsContact O-CG 3.22Å; N328-H332 PolarHBondContact O-N 2.77Å; N328-H332 PolarHBondContact O-ND1 3.43Å; N328-H332 VanDerWaalsContact O-ND1 3.12Å
329E85Confident87.3Confident12 Ų1213.3 Ų13.36%0.0568%0.075CC..Hα-helixtrans-61.5-40.7173.9-168.8-170.8149.100111.1D304 P324 S325 D326 H332 R333D304-E329 VanDerWaalsContact CG-OE1 3.3Å; P324-E329 HydrophobicContact CB-CB 4.09Å; P324-E329 HydrophobicContact CB-CG 4.01Å; S325-E329 VanDerWaalsContact CB-OE2 3.25Å; S325-E329 WeakPolarHBondContact CB-OE2 3.39Å; S325-E329 PolarHBondContact N-OE2 2.8Å; S325-E329 PolarHBondContact OG-OE2 2.96Å; D326-E329 VanDerWaalsContact OD1-CB 3.25Å; D326-E329 WeakPolarHBondContact OD1-CB 3.33Å; D326-E329 PolarHBondContact OD1-N 2.85Å; E329-H332 PolarHBondContact O-N 3.38Å; E329-R333 HydrophobicContact CG-CG 4.5Å; E329-R333 WeakPolarHBondContact O-CB 3.46Å; E329-R333 WeakPolarHBondContact O-CG 3.4Å; E329-R333 PolarHBondContact O-N 3.18Å; E329-R333 IonicContact OE1-CZ 2.68Å; E329-R333 IonicContact OE1-NE 3.42Å; E329-R333 PolarHBondContact OE1-NE 3.27Å; E329-R333 VanDerWaalsContact OE1-NE 3.1Å; E329-R333 IonicContact OE1-NH1 2.77Å; E329-R333 IonicContact OE1-NH2 3.16Å; E329-R333 PolarHBondContact OE1-NH2 2.71Å
330Y89.7Confident86.1Confident0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-56.5-53.3170.7177.3-91.9000111.5Q221 H320 P324 D326 V327 N328 H332 R333 S334 L348 L361 V366 I368Q221-Y330 PolarHBondContact OE1-OH 3.14Å; H320-Y330 AromaticContact CE1-CD2 3.64Å; H320-Y330 AromaticContact CE1-CE2 3.9Å; H320-Y330 AromaticContact ND1-CD2 3.96Å; P324-Y330 HydrophobicContact CG-CD2 4.18Å; D326-Y330 PolarHBondContact O-N 2.79Å; V327-Y330 WeakPolarHBondContact O-CB 3.37Å; V327-Y330 PolarHBondContact O-N 2.85Å; N328-Y330 VanDerWaalsContact C-N 3.31Å; N328-Y330 PolarHBondContact O-N 2.56Å; Y330-H332 PolarHBondContact O-N 2.8Å; Y330-R333 PolarHBondContact O-N 2.82Å; Y330-S334 WeakPolarHBondContact O-CB 3.42Å; Y330-S334 PolarHBondContact O-N 3.06Å; Y330-S334 PolarHBondContact O-OG 3.21Å; Y330-S334 VanDerWaalsContact O-OG 3.13Å; Y330-L348 HydrophobicContact CD2-CD1 4.5Å; Y330-L348 HydrophobicContact CD2-CD2 4.29Å; Y330-L348 HydrophobicContact CE2-CB 4.14Å; Y330-L348 HydrophobicContact CE2-CD2 4.12Å; Y330-L348 HydrophobicContact CE2-CG 4.5Å; Y330-L361 HydrophobicContact CD1-CD1 4.34Å; Y330-L361 HydrophobicContact CD1-CD2 3.51Å; Y330-L361 HydrophobicContact CD2-CD1 4.09Å; Y330-L361 HydrophobicContact CD2-CD2 4.38Å; Y330-L361 HydrophobicContact CE1-CD1 4.47Å; Y330-L361 HydrophobicContact CE1-CD2 4.19Å; Y330-L361 HydrophobicContact CE2-CD1 4.22Å; Y330-L361 HydrophobicContact CG-CD1 4.15Å; Y330-L361 HydrophobicContact CG-CD2 3.62Å; Y330-V366 HydrophobicContact CD1-CG1 4.39Å; Y330-V366 HydrophobicContact CE1-CG1 3.63Å; Y330-I368 HydrophobicContact CE2-CD1 4.49Å
331I85.5Confident85.2Confident25 Ų2524.8 Ų24.813%0.12813%0.131CC..Hα-helixtrans-56.2-42-179.6-68.3164.2000110.8T215 V327 N328 G335T215-I331 HydrophobicContact CG2-CG1 4.22Å; V327-I331 HydrophobicContact CG1-CD1 3.96Å; V327-I331 WeakPolarHBondContact O-CG1 2.95Å; V327-I331 PolarHBondContact O-N 2.87Å; N328-I331 PolarHBondContact O-N 2.9Å; I331-G335 WeakPolarHBondContact O-CA 3.01Å; I331-G335 PolarHBondContact O-N 3.41Å
332H82.1Confident84.5Confident3 Ų328.4 Ų28.41%0.01415%0.15CC..Hα-helixtrans-70-44.6179.8-66.2148.1000113.8D156 A185 A307 R308 N328 E329 Y330 G335 R336D156-H332 IonicContact OD2-CE1 2.68Å; D156-H332 PolarHBondContact OD2-CE1 3.31Å; D156-H332 IonicContact OD2-NE2 3.02Å; A185-H332 WeakPolarHBondContact CB-NE2 3.32Å; A307-H332 CarbonylContact O-C 3.54Å; A307-H332 VanDerWaalsContact O-C 3.28Å; R308-H332 HydrophobicContact CG-CB 3.89Å; R308-H332 PolarHBondContact NE-ND1 3.07Å; R308-H332 PolarHBondContact NH2-ND1 2.84Å; N328-H332 VanDerWaalsContact O-CG 3.22Å; N328-H332 PolarHBondContact O-N 2.77Å; N328-H332 PolarHBondContact O-ND1 3.43Å; N328-H332 VanDerWaalsContact O-ND1 3.12Å; E329-H332 PolarHBondContact O-N 3.38Å; Y330-H332 PolarHBondContact O-N 2.8Å; H332-G335 PolarHBondContact O-N 3.41Å; H332-R336 PolarHBondContact O-NE 3.34Å; H332-R336 VanDerWaalsContact O-NE 3.16Å
333R89Confident84.2Confident0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-60.5-51.5175.3-77.5-179.9179.3-165.53.2110.2F250 N252 D304 A307 H320 D322 E329 Y330 G335 R336F250-R333 HydrophobicContact CD1-CG 4.09Å; F250-R333 HydrophobicContact CD2-CB 3.83Å; F250-R333 HydrophobicContact CD2-CG 3.79Å; F250-R333 HydrophobicContact CE1-CG 4.15Å; F250-R333 HydrophobicContact CE2-CB 3.69Å; F250-R333 HydrophobicContact CE2-CG 3.83Å; F250-R333 HydrophobicContact CG-CB 4.46Å; F250-R333 HydrophobicContact CG-CG 3.92Å; F250-R333 HydrophobicContact CZ-CB 4.24Å; F250-R333 HydrophobicContact CZ-CG 4.02Å; N252-R333 PolarHBondContact OD1-NH2 3.07Å; D304-R333 IonicContact OD1-CZ 3.67Å; D304-R333 IonicContact OD1-NE 3.6Å; D304-R333 PolarHBondContact OD1-NE 3.16Å; D304-R333 IonicContact OD1-NH2 2.78Å; D304-R333 PolarHBondContact OD1-NH2 2.85Å; D304-R333 IonicContact OD2-NH2 3.56Å; D304-R333 PolarHBondContact OD2-NH2 2.86Å; A307-R333 HydrophobicContact CB-CB 4.44Å; A307-R333 HydrophobicContact CB-CG 3.52Å; H320-R333 WeakPolarHBondContact CE1-CB 3.46Å; D322-R333 PolarHBondContact O-NH1 3.07Å; E329-R333 HydrophobicContact CG-CG 4.5Å; E329-R333 WeakPolarHBondContact O-CB 3.46Å; E329-R333 WeakPolarHBondContact O-CG 3.4Å; E329-R333 PolarHBondContact O-N 3.18Å; E329-R333 IonicContact OE1-CZ 2.68Å; E329-R333 IonicContact OE1-NE 3.42Å; E329-R333 PolarHBondContact OE1-NE 3.27Å; E329-R333 VanDerWaalsContact OE1-NE 3.1Å; E329-R333 IonicContact OE1-NH1 2.77Å; E329-R333 IonicContact OE1-NH2 3.16Å; E329-R333 PolarHBondContact OE1-NH2 2.71Å; Y330-R333 PolarHBondContact O-N 2.82Å; R333-G335 VanDerWaalsContact C-N 3.28Å; R333-G335 PolarHBondContact O-N 2.86Å; R333-R336 WeakPolarHBondContact O-CB 3.47Å; R333-R336 VanDerWaalsContact O-CG 3.28Å; R333-R336 WeakPolarHBondContact O-CG 3.46Å; R333-R336 PolarHBondContact O-N 3.3Å
334S88.5Confident84.2Confident0 Ų036.8 Ų36.80%019%0.188CC..Hα-helixtrans-68.8-27.2180-51.40000112.5H320 Y330 R336 T337H320-S334 PolarHBondContact CE1-OG 2.73Å; H320-S334 PolarHBondContact NE2-OG 3.15Å; Y330-S334 WeakPolarHBondContact O-CB 3.42Å; Y330-S334 PolarHBondContact O-N 3.06Å; Y330-S334 PolarHBondContact O-OG 3.21Å; Y330-S334 VanDerWaalsContact O-OG 3.13Å; S334-R336 PolarHBondContact O-N 3.27Å; S334-R336 VanDerWaalsContact O-N 3.07Å; S334-T337 WeakPolarHBondContact O-CG2 3.33Å; S334-T337 PolarHBondContact O-N 3.03Å
335G82.5Confident84.4Confident1 Ų142.5 Ų42.51%0.0121%0.209CC..THydrogen-bonded Turntrans-68.24.617200000115.6T53 I331 H332 R333 T337 R339T53-G335 WeakPolarHBondContact OG1-CA 3.25Å; T53-G335 PolarHBondContact OG1-O 3.26Å; I331-G335 WeakPolarHBondContact O-CA 3.01Å; I331-G335 PolarHBondContact O-N 3.41Å; H332-G335 PolarHBondContact O-N 3.41Å; R333-G335 VanDerWaalsContact C-N 3.28Å; R333-G335 PolarHBondContact O-N 2.86Å; G335-T337 VanDerWaalsContact C-N 3.35Å; G335-R339 PolarHBondContact O-NE 2.89Å; G335-R339 PolarHBondContact O-NH2 3.32Å
336R83.9Confident84.8Confident3 Ų340.3 Ų40.31%0.01119%0.194CC..THydrogen-bonded Turntrans-80.1-15.2169.2-61.2-55.1114.5171.25.4113.5T53 L248 F250 A306 A307 G309 L310 V318 H332 R333 S334 R339T53-R336 VanDerWaalsContact CG2-NH2 3.35Å; L248-R336 HydrophobicContact CD2-CB 3.59Å; L248-R336 HydrophobicContact CD2-CG 3.72Å; F250-R336 HydrophobicContact CE2-CG 4.43Å; F250-R336 HydrophobicContact CZ-CG 4.14Å; A306-R336 WeakPolarHBondContact O-CD 3.4Å; A307-R336 PolarHBondContact O-NE 2.79Å; A307-R336 PolarHBondContact O-NH2 3.43Å; G309-R336 VanDerWaalsContact C-NH1 3.26Å; G309-R336 VanDerWaalsContact N-NH1 3.11Å; L310-R336 VanDerWaalsContact N-NH1 3.12Å; L310-R336 PolarHBondContact O-NH1 2.88Å; V318-R336 HydrophobicContact CG2-CB 4.09Å; H332-R336 PolarHBondContact O-NE 3.34Å; H332-R336 VanDerWaalsContact O-NE 3.16Å; R333-R336 WeakPolarHBondContact O-CB 3.47Å; R333-R336 VanDerWaalsContact O-CG 3.28Å; R333-R336 WeakPolarHBondContact O-CG 3.46Å; R333-R336 PolarHBondContact O-N 3.3Å; S334-R336 PolarHBondContact O-N 3.27Å; S334-R336 VanDerWaalsContact O-N 3.07Å; R336-R339 VanDerWaalsContact NE-NH2 3.12Å
337T86Confident85.3Confident2 Ų238 Ų381%0.01218%0.181CC..SBendtrans-116178.6171.4-178.10000110.3L219 V315 V318 S334 G335 R339 G344L219-T337 HydrophobicContact CD1-CG2 3.39Å; V315-T337 WeakPolarHBondContact O-CB 3.47Å; V315-T337 PolarHBondContact O-OG1 2.91Å; V318-T337 HydrophobicContact CB-CG2 4.16Å; V318-T337 HydrophobicContact CG2-CG2 3.51Å; S334-T337 WeakPolarHBondContact O-CG2 3.33Å; S334-T337 PolarHBondContact O-N 3.03Å; G335-T337 VanDerWaalsContact C-N 3.35Å; T337-R339 PolarHBondContact O-N 3.18Å; T337-G344 WeakPolarHBondContact OG1-CA 3.21Å
338A81.8Confident85.8Confident9 Ų936.5 Ų36.57%0.07417%0.173CC..SBendtrans53.836-175.900000113.7P216 R218 L219 N342P216-A338 HydrophobicContact CB-CB 4.25Å; R218-A338 HydrophobicContact CB-CB 4.4Å; L219-A338 HydrophobicContact CB-CB 3.91Å; L219-A338 HydrophobicContact CD1-CB 4Å; A338-N342 CarbonylContact C-O 3.27Å; A338-N342 WeakPolarHBondContact CA-O 3.4Å
339R76.3Confident86.4Confident21 Ų2133.8 Ų33.88%0.07916%0.158CC..  trans-82.2143.8178-66.9-173.4171.4-156.8-1.6111.5L310 D311 G335 R336 T337 V341 N342L310-R339 PolarHBondContact O-NH1 3.42Å; L310-R339 PolarHBondContact O-NH2 2.99Å; D311-R339 VanDerWaalsContact CG-NH1 3.3Å; D311-R339 VanDerWaalsContact OD1-CD 3.23Å; D311-R339 WeakPolarHBondContact OD1-CD 3.32Å; D311-R339 IonicContact OD1-CZ 3.01Å; D311-R339 IonicContact OD1-NE 2.83Å; D311-R339 IonicContact OD1-NH1 3.15Å; D311-R339 PolarHBondContact OD1-NH1 2.86Å; G335-R339 PolarHBondContact O-NE 2.89Å; G335-R339 PolarHBondContact O-NH2 3.32Å; R336-R339 VanDerWaalsContact NE-NH2 3.12Å; T337-R339 PolarHBondContact O-N 3.18Å; R339-V341 PolarHBondContact O-N 3.39Å; R339-N342 PolarHBondContact O-N 3.4Å
340Y72.3Confident86.8Confident132 Ų13233.2 Ų33.252%0.51816%0.155SC..THydrogen-bonded Turntrans53.7-116.2-178.9-52.8-78.3000111.7
341V75.1Confident86.9Confident109 Ų10933.5 Ų33.566%0.66116%0.157SC*.THydrogen-bonded Turntrans-92.7-10.8-176.2-159.50000111.7R218 R339R218-V341 VanDerWaalsContact NH1-C 3.32Å; R218-V341 VanDerWaalsContact NH1-CA 3.31Å; R218-V341 PolarHBondContact NH1-O 2.77Å; R339-V341 PolarHBondContact O-N 3.39Å
342N81.6Confident87.1Confident81 Ų8135.8 Ų35.843%0.43317%0.174SC..  trans-77.9148.3-172.3-66.2-32.6000112.1A338 R339A338-N342 CarbonylContact C-O 3.27Å; A338-N342 WeakPolarHBondContact CA-O 3.4Å; R339-N342 PolarHBondContact O-N 3.4Å
343K88.1Confident87.4Confident176 Ų17639.5 Ų39.577%0.76519%0.194SC*.  trans-83153.6168.2-67.7179.4177.5176.90109.2
344G90.8Very high87.4Confident4 Ų439.7 Ų39.74%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-145.5156.2-18000000112.1R218 D220 T337R218-G344 PolarHBondContact O-N 3.44Å; D220-G344 PolarHBondContact N-O 2.8Å; T337-G344 WeakPolarHBondContact OG1-CA 3.21Å
345R94Very high87.4Confident119 Ų11942.8 Ų42.845%0.44921%0.214SC..EExtended strand (participates in β ladder)trans-125135.3173.9-59.2-177.6179.6155.12.2110.1D220 D316 W317 V318D220-R345 HydrophobicContact CB-CG 4.23Å; D220-R345 CarbonylContact O-C 3.54Å; D220-R345 VanDerWaalsContact O-CA 3.31Å; D220-R345 WeakPolarHBondContact O-CA 3.49Å; D316-R345 PolarHBondContact O-N 3.49Å; W317-R345 CarbonylContact C-O 3.54Å; W317-R345 VanDerWaalsContact CA-O 3.3Å; W317-R345 WeakPolarHBondContact CA-O 3.37Å; W317-R345 HydrophobicContact CD2-CB 3.69Å; W317-R345 HydrophobicContact CE3-CB 3.47Å; W317-R345 VanDerWaalsContact CE3-CB 3.47Å; W317-R345 HydrophobicContact CG-CB 4.41Å; W317-R345 HydrophobicContact CH2-CB 3.97Å; W317-R345 HydrophobicContact CH2-CG 4.45Å; W317-R345 HydrophobicContact CZ2-CB 4.17Å; W317-R345 HydrophobicContact CZ2-CG 4.39Å; W317-R345 HydrophobicContact CZ3-CB 3.6Å; V318-R345 PolarHBondContact N-O 3.08Å
346A94.7Very high87.7Confident0 Ų045.1 Ų45.10%023%0.23CC..EExtended strand (participates in β ladder)trans-118.5132.6172.500000109.9L219 D220 Q221 K222 V318L219-A346 HydrophobicContact CD1-CB 4.15Å; D220-A346 PolarHBondContact O-N 3.38Å; Q221-A346 HydrophobicContact CG-CB 4.37Å; K222-A346 PolarHBondContact N-O 3.33Å; V318-A346 CarbonylContact O-C 3.46Å; V318-A346 VanDerWaalsContact O-CA 3.27Å; V318-A346 WeakPolarHBondContact O-CA 3.33Å
347L95.6Very high88Confident13 Ų1345.2 Ų45.27%0.06823%0.23CC..EExtended strand (participates in β ladder)trans-121.8120.6174.9-175.356000109.8K222 A224 F234 F238 W317 V318 L319 H320K222-L347 HydrophobicContact CB-CD1 3.88Å; K222-L347 CarbonylContact O-C 3.55Å; K222-L347 WeakPolarHBondContact O-CA 3.49Å; A224-L347 HydrophobicContact CB-CD1 4.25Å; F234-L347 HydrophobicContact CE1-CD2 4.41Å; F234-L347 HydrophobicContact CZ-CD2 3.73Å; F238-L347 HydrophobicContact CD2-CD2 4.23Å; F238-L347 HydrophobicContact CE2-CD2 3.94Å; W317-L347 HydrophobicContact CE3-CB 4.26Å; W317-L347 HydrophobicContact CZ3-CB 3.95Å; V318-L347 PolarHBondContact O-N 3.48Å; L319-L347 HydrophobicContact CD1-CB 3.87Å; L319-L347 HydrophobicContact CD1-CD2 3.98Å; L319-L347 HydrophobicContact CD1-CG 3.93Å; H320-L347 PolarHBondContact N-O 3.16Å
348L95.9Very high88.2Confident0 Ų045.4 Ų45.40%023%0.232CC..EExtended strand (participates in β ladder)trans-98.5118.8174.9179.362.1000110.5K222 Y223 A224 H320 P324 Y330 V350 L361 I368K222-L348 PolarHBondContact O-N 2.91Å; Y223-L348 CarbonylContact C-O 3.46Å; Y223-L348 WeakPolarHBondContact CA-O 3.35Å; Y223-L348 WeakPolarHBondContact CB-O 3.43Å; A224-L348 PolarHBondContact N-O 2.95Å; H320-L348 HydrophobicContact CB-CD1 3.63Å; P324-L348 HydrophobicContact CG-CD1 4.48Å; Y330-L348 HydrophobicContact CD2-CD1 4.5Å; Y330-L348 HydrophobicContact CD2-CD2 4.29Å; Y330-L348 HydrophobicContact CE2-CB 4.14Å; Y330-L348 HydrophobicContact CE2-CD2 4.12Å; Y330-L348 HydrophobicContact CE2-CG 4.5Å; L348-V350 HydrophobicContact CD1-CG1 4.42Å; L348-V350 HydrophobicContact CD2-CG1 3.74Å; L348-V350 HydrophobicContact CG-CG1 3.71Å; L348-L361 HydrophobicContact CD2-CD1 3.75Å; L348-I368 HydrophobicContact CB-CD1 4.3Å; L348-I368 HydrophobicContact CD2-CD1 4.14Å
349V95.4Very high88.7Confident0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-88.9115.9169.6-178.40000108V226 K231 F234 L319 H320 L321V226-V349 HydrophobicContact CB-CG1 3.67Å; V226-V349 HydrophobicContact CG2-CG1 3.68Å; K231-V349 HydrophobicContact CG-CG1 4.26Å; F234-V349 HydrophobicContact CD1-CG2 3.88Å; F234-V349 HydrophobicContact CE1-CG2 3.44Å; F234-V349 VanDerWaalsContact CE1-CG2 3.44Å; F234-V349 HydrophobicContact CZ-CG2 4.18Å; L319-V349 HydrophobicContact CD1-CG2 3.96Å; H320-V349 WeakPolarHBondContact O-CB 3.42Å; H320-V349 PolarHBondContact O-N 3.05Å; L321-V349 HydrophobicContact CD1-CG2 4.48Å
350V93.8Very high89.4Confident0 Ų049.1 Ų49.10%026%0.259CS..EExtended strand (participates in β ladder)trans-112.7148173.8-63.40000109.5Y223 A224 V225 V226 L348 Q354 V358Y223-V350 HydrophobicContact CD2-CG2 4.03Å; A224-V350 PolarHBondContact O-N 3.11Å; V225-V350 CarbonylContact C-O 3.56Å; V225-V350 VanDerWaalsContact CA-O 3.3Å; V225-V350 WeakPolarHBondContact CA-O 3.21Å; V225-V350 HydrophobicContact CG2-CG2 4.04Å; V226-V350 PolarHBondContact N-O 3.01Å; L348-V350 HydrophobicContact CD1-CG1 4.42Å; L348-V350 HydrophobicContact CD2-CG1 3.74Å; L348-V350 HydrophobicContact CG-CG1 3.71Å; V350-Q354 HydrophobicContact CB-CB 4.23Å; V350-V358 HydrophobicContact CG1-CG2 4.12Å; V350-V358 HydrophobicContact CG2-CG2 4.43Å
351T92.8Very high90.2Very high5 Ų542.9 Ų42.93%0.03124%0.235CC..  trans-85.4162.116868.20000110.7V226 E228 N353 Q354V226-T351 WeakPolarHBondContact O-CA 3.23Å; V226-T351 WeakPolarHBondContact O-CG2 3.44Å; E228-T351 HydrophobicContact CG-CG2 3.79Å; E228-T351 WeakPolarHBondContact OE1-CG2 3.49Å; T351-N353 PolarHBondContact O-N 2.9Å; T351-Q354 VanDerWaalsContact N-OE1 3.16Å; T351-Q354 PolarHBondContact O-N 2.97Å; T351-Q354 VanDerWaalsContact OG1-CG 3.3Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.44Å; T351-Q354 PolarHBondContact OG1-OE1 3.05Å
352P90.4Very high90.9Very high74 Ų7442.3 Ų42.348%0.48123%0.225SC..G310 helixtrans-51.9-33179.2-29.236.2000113.4V225 T355V225-P352 HydrophobicContact CG1-CB 4.48Å; V225-P352 HydrophobicContact CG1-CG 3.95Å; P352-T355 WeakPolarHBondContact O-CG2 3.23Å; P352-T355 PolarHBondContact O-OG1 3.42Å; P352-T355 VanDerWaalsContact O-OG1 3.07Å
353N87.2Confident91.3Very high81 Ų8144.7 Ų44.743%0.43324%0.237SC..G310 helixtrans-76.8-18.1178.9-62.2-19.3000113.9T351T351-N353 PolarHBondContact O-N 2.9Å
354Q89.1Confident91.1Very high4 Ų437.8 Ų37.82%0.01921%0.213CC..G310 helixtrans-100.76.9-174.3-67.2168.9-13.200113.1V350 T351 S356 L357 I418V350-Q354 HydrophobicContact CB-CB 4.23Å; T351-Q354 VanDerWaalsContact N-OE1 3.16Å; T351-Q354 PolarHBondContact O-N 2.97Å; T351-Q354 VanDerWaalsContact OG1-CG 3.3Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.44Å; T351-Q354 PolarHBondContact OG1-OE1 3.05Å; Q354-S356 PolarHBondContact O-N 2.92Å; Q354-L357 WeakPolarHBondContact O-CB 3.06Å; Q354-L357 PolarHBondContact O-N 2.91Å; Q354-I418 HydrophobicContact CB-CG2 4.17Å; Q354-I418 HydrophobicContact CG-CG2 4.14Å
355T88.8Confident90.8Very high65 Ų6543.9 Ų43.940%0.39924%0.239SC..Hα-helixtrans-60.2-27.5-177.446.70000113.2V225 P352 L357 V358V225-T355 HydrophobicContact CG2-CG2 4.49Å; P352-T355 WeakPolarHBondContact O-CG2 3.23Å; P352-T355 PolarHBondContact O-OG1 3.42Å; P352-T355 VanDerWaalsContact O-OG1 3.07Å; T355-L357 PolarHBondContact O-N 3.2Å; T355-V358 VanDerWaalsContact O-CB 3.28Å; T355-V358 WeakPolarHBondContact O-CB 3.11Å; T355-V358 PolarHBondContact O-N 3.23Å
356S89.6Confident90.5Very high50 Ų5038.4 Ų38.435%0.3522%0.219SC..Hα-helixtrans-60.2-27.3173.945.50000113.9Q354 V358 T359 A360 I418Q354-S356 PolarHBondContact O-N 2.92Å; S356-V358 VanDerWaalsContact C-N 3.27Å; S356-V358 PolarHBondContact O-N 3.13Å; S356-T359 WeakPolarHBondContact O-CB 3.46Å; S356-T359 PolarHBondContact O-N 3.47Å; S356-A360 PolarHBondContact O-N 2.76Å; S356-A360 VanDerWaalsContact O-N 3.12Å; S356-I418 WeakPolarHBondContact OG-CG1 3.31Å
357L89.5Confident90.1Very high4 Ų441 Ų412%0.02124%0.235CC..Hα-helixtrans-64.2-35.2172.9-174.669.9000111.4C323 P324 Q354 T355 T359 A360 L361 I418C323-L357 WeakPolarHBondContact SG-CD2 3.28Å; P324-L357 HydrophobicContact CG-CD2 4.11Å; Q354-L357 WeakPolarHBondContact O-CB 3.06Å; Q354-L357 PolarHBondContact O-N 2.91Å; T355-L357 PolarHBondContact O-N 3.2Å; L357-T359 VanDerWaalsContact C-N 3.27Å; L357-T359 PolarHBondContact O-N 3.26Å; L357-A360 HydrophobicContact CD1-CB 4.48Å; L357-A360 WeakPolarHBondContact O-CB 3.3Å; L357-A360 PolarHBondContact O-N 2.98Å; L357-A360 VanDerWaalsContact O-N 3.1Å; L357-L361 HydrophobicContact CG-CD1 4.44Å; L357-L361 HydrophobicContact CG-CG 4.44Å; L357-L361 WeakPolarHBondContact O-CG 3.23Å; L357-L361 PolarHBondContact O-N 3Å; L357-I418 HydrophobicContact CB-CD1 4.2Å; L357-I418 HydrophobicContact CB-CG2 4.31Å; L357-I418 HydrophobicContact CD1-CD1 4.32Å
358V90.7Very high89.9Confident7 Ų740.8 Ų40.84%0.04223%0.234CC..Hα-helixtrans-61.7-40.7177.9-177.10000110.2Y223 V350 T355 S356 L361 Q362 I368Y223-V358 HydrophobicContact CD1-CG1 3.81Å; Y223-V358 HydrophobicContact CD1-CG2 4.38Å; Y223-V358 HydrophobicContact CD2-CG2 4.12Å; Y223-V358 HydrophobicContact CE1-CG1 3.65Å; Y223-V358 HydrophobicContact CE2-CG2 4.42Å; Y223-V358 HydrophobicContact CG-CG1 4.36Å; Y223-V358 HydrophobicContact CG-CG2 4.1Å; V350-V358 HydrophobicContact CG1-CG2 4.12Å; V350-V358 HydrophobicContact CG2-CG2 4.43Å; T355-V358 VanDerWaalsContact O-CB 3.28Å; T355-V358 WeakPolarHBondContact O-CB 3.11Å; T355-V358 PolarHBondContact O-N 3.23Å; S356-V358 VanDerWaalsContact C-N 3.27Å; S356-V358 PolarHBondContact O-N 3.13Å; V358-L361 WeakPolarHBondContact O-CB 3.42Å; V358-L361 PolarHBondContact O-N 3.19Å; V358-Q362 WeakPolarHBondContact O-CG 3.42Å; V358-Q362 PolarHBondContact O-N 2.83Å; V358-I368 HydrophobicContact CG1-CG2 3.88Å
359T91.2Very high89.8Confident74 Ų7444.3 Ų44.345%0.45426%0.256SS..Hα-helixtrans-62.9-41.9173.5-52.10000111.5S356 L357 L361 Q362 N363S356-T359 WeakPolarHBondContact O-CB 3.46Å; S356-T359 PolarHBondContact O-N 3.47Å; L357-T359 VanDerWaalsContact C-N 3.27Å; L357-T359 PolarHBondContact O-N 3.26Å; T359-L361 VanDerWaalsContact C-N 3.34Å; T359-L361 PolarHBondContact O-N 3.38Å; T359-Q362 PolarHBondContact O-N 2.86Å; T359-N363 WeakPolarHBondContact O-CB 3.49Å; T359-N363 PolarHBondContact O-N 2.95Å; T359-N363 PolarHBondContact O-ND2 3.28Å
360A90.5Very high89.7Confident34 Ų3449.3 Ų49.328%0.28128%0.279SS..Hα-helixtrans-62.4-39.5175.400000112.5V327 S356 L357 N363 A364V327-A360 HydrophobicContact CG2-CB 4.17Å; S356-A360 PolarHBondContact O-N 2.76Å; S356-A360 VanDerWaalsContact O-N 3.12Å; L357-A360 HydrophobicContact CD1-CB 4.48Å; L357-A360 WeakPolarHBondContact O-CB 3.3Å; L357-A360 PolarHBondContact O-N 2.98Å; L357-A360 VanDerWaalsContact O-N 3.1Å; A360-N363 PolarHBondContact O-N 2.85Å; A360-A364 WeakPolarHBondContact O-CB 3.41Å; A360-A364 PolarHBondContact O-N 3.45Å
361L90.5Very high89.6Confident0 Ų051.8 Ų51.80%029%0.294CS..Hα-helixtrans-63.9-44.4174.9-70.4172.3000111.8V327 Y330 L348 L357 V358 T359 N363 A364 K365 V366 I368V327-L361 HydrophobicContact CB-CD2 4.26Å; V327-L361 HydrophobicContact CG1-CD2 4.04Å; V327-L361 HydrophobicContact CG2-CD2 4.06Å; Y330-L361 HydrophobicContact CD1-CD1 4.34Å; Y330-L361 HydrophobicContact CD1-CD2 3.51Å; Y330-L361 HydrophobicContact CD2-CD1 4.09Å; Y330-L361 HydrophobicContact CD2-CD2 4.38Å; Y330-L361 HydrophobicContact CE1-CD1 4.47Å; Y330-L361 HydrophobicContact CE1-CD2 4.19Å; Y330-L361 HydrophobicContact CE2-CD1 4.22Å; Y330-L361 HydrophobicContact CG-CD1 4.15Å; Y330-L361 HydrophobicContact CG-CD2 3.62Å; L348-L361 HydrophobicContact CD2-CD1 3.75Å; L357-L361 HydrophobicContact CG-CD1 4.44Å; L357-L361 HydrophobicContact CG-CG 4.44Å; L357-L361 WeakPolarHBondContact O-CG 3.23Å; L357-L361 PolarHBondContact O-N 3Å; V358-L361 WeakPolarHBondContact O-CB 3.42Å; V358-L361 PolarHBondContact O-N 3.19Å; T359-L361 VanDerWaalsContact C-N 3.34Å; T359-L361 PolarHBondContact O-N 3.38Å; L361-N363 VanDerWaalsContact C-N 3.34Å; L361-N363 PolarHBondContact O-N 3.43Å; L361-A364 CarbonylContact O-C 3.53Å; L361-A364 WeakPolarHBondContact O-CA 3.47Å; L361-A364 PolarHBondContact O-N 2.77Å; L361-A364 VanDerWaalsContact O-N 3.12Å; L361-K365 PolarHBondContact O-N 3.36Å; L361-V366 HydrophobicContact CB-CB 4.17Å; L361-V366 HydrophobicContact CB-CG2 4.47Å; L361-V366 HydrophobicContact CD2-CG2 4.3Å; L361-V366 VanDerWaalsContact O-CB 3.25Å; L361-V366 WeakPolarHBondContact O-CB 3.21Å; L361-V366 WeakPolarHBondContact O-CG2 3.33Å; L361-V366 PolarHBondContact O-N 2.84Å; L361-I368 HydrophobicContact CD1-CD1 4.11Å
362Q89.7Confident89.4Confident98 Ų9860.3 Ų60.346%0.45833%0.331SS..Hα-helixtrans-62-42.7176.9-72.7173.4-18.200111.6V358 T359 A364 K365 I368V358-Q362 WeakPolarHBondContact O-CG 3.42Å; V358-Q362 PolarHBondContact O-N 2.83Å; T359-Q362 PolarHBondContact O-N 2.86Å; Q362-A364 PolarHBondContact O-N 3.24Å; Q362-K365 PolarHBondContact O-N 3.27Å; Q362-I368 HydrophobicContact CG-CG2 3.99Å
363N89Confident89Confident130 Ų13059.2 Ų59.270%0.69532%0.32SS*.Hα-helixtrans-62-32.1174.7-69.1-17.8000112.1T359 A360 L361 K365T359-N363 WeakPolarHBondContact O-CB 3.49Å; T359-N363 PolarHBondContact O-N 2.95Å; T359-N363 PolarHBondContact O-ND2 3.28Å; A360-N363 PolarHBondContact O-N 2.85Å; L361-N363 VanDerWaalsContact C-N 3.34Å; L361-N363 PolarHBondContact O-N 3.43Å; N363-K365 PolarHBondContact O-N 3.24Å
364A84.4Confident88.7Confident31 Ų3158.7 Ų58.726%0.25632%0.318SS..THydrogen-bonded Turntrans-82.418.7174.400000114.3S214 V327 A360 L361 Q362 V366S214-A364 PolarHBondContact OG-O 2.81Å; V327-A364 HydrophobicContact CG1-CB 3.51Å; A360-A364 WeakPolarHBondContact O-CB 3.41Å; A360-A364 PolarHBondContact O-N 3.45Å; L361-A364 CarbonylContact O-C 3.53Å; L361-A364 WeakPolarHBondContact O-CA 3.47Å; L361-A364 PolarHBondContact O-N 2.77Å; L361-A364 VanDerWaalsContact O-N 3.12Å; Q362-A364 PolarHBondContact O-N 3.24Å; A364-V366 VanDerWaalsContact C-N 3.32Å; A364-V366 PolarHBondContact O-N 2.89Å
365K85.1Confident88.1Confident133 Ų13362.8 Ų62.858%0.57835%0.345SS*.THydrogen-bonded Turntrans59.736.4179.4-54.6175.5-179.4175.10113.5F213 S214 L361 Q362 N363F213-K365 WeakPolarHBondContact CA-O 3.44Å; S214-K365 PolarHBondContact N-O 2.89Å; L361-K365 PolarHBondContact O-N 3.36Å; Q362-K365 PolarHBondContact O-N 3.27Å; N363-K365 PolarHBondContact O-N 3.24Å
366V86.3Confident87.4Confident4 Ų466.4 Ų66.42%0.02436%0.362CS..  trans-94.7117171.9-178.50000109.2T215 Y330 L361 A364 I368T215-V366 HydrophobicContact CG2-CG1 4.25Å; T215-V366 HydrophobicContact CG2-CG2 4.37Å; Y330-V366 HydrophobicContact CD1-CG1 4.39Å; Y330-V366 HydrophobicContact CE1-CG1 3.63Å; L361-V366 HydrophobicContact CB-CB 4.17Å; L361-V366 HydrophobicContact CB-CG2 4.47Å; L361-V366 HydrophobicContact CD2-CG2 4.3Å; L361-V366 VanDerWaalsContact O-CB 3.25Å; L361-V366 WeakPolarHBondContact O-CB 3.21Å; L361-V366 WeakPolarHBondContact O-CG2 3.33Å; L361-V366 PolarHBondContact O-N 2.84Å; A364-V366 VanDerWaalsContact C-N 3.32Å; A364-V366 PolarHBondContact O-N 2.89Å; V366-I368 VanDerWaalsContact C-N 3.3Å; V366-I368 HydrophobicContact CG1-CB 4.39Å; V366-I368 PolarHBondContact O-N 2.83Å
367P87.1Confident86.7Confident54 Ų5470.1 Ų70.135%0.35137%0.372SS..  trans-78.675.4-178.632.8-35.2000111.2F213F213-P367 HydrophobicContact CD1-CB 4.12Å; F213-P367 HydrophobicContact CD1-CG 3.77Å; F213-P367 HydrophobicContact CE1-CB 3.89Å; F213-P367 HydrophobicContact CE1-CG 4Å; F213-P367 HydrophobicContact CG-CG 4.04Å; F213-P367 HydrophobicContact CZ-CB 4.4Å; F213-P367 HydrophobicContact CZ-CG 4.46Å
368I91.5Very high86.2Confident9 Ų972.9 Ų72.95%0.04639%0.386CS..EExtended strand (participates in β ladder)trans-100.8136.1-178.7-159.8175.8000111.9Q221 Y223 Y330 L348 V358 L361 Q362 V366Q221-I368 HydrophobicContact CB-CB 4.47Å; Q221-I368 HydrophobicContact CB-CG1 4.27Å; Y223-I368 HydrophobicContact CD1-CD1 4.27Å; Y223-I368 HydrophobicContact CD1-CG1 4.09Å; Y330-I368 HydrophobicContact CE2-CD1 4.49Å; L348-I368 HydrophobicContact CB-CD1 4.3Å; L348-I368 HydrophobicContact CD2-CD1 4.14Å; V358-I368 HydrophobicContact CG1-CG2 3.88Å; L361-I368 HydrophobicContact CD1-CD1 4.11Å; Q362-I368 HydrophobicContact CG-CG2 3.99Å; V366-I368 VanDerWaalsContact C-N 3.3Å; V366-I368 HydrophobicContact CG1-CB 4.39Å; V366-I368 PolarHBondContact O-N 2.83Å
369T93.2Very high85.9Confident74 Ų7478.6 Ų78.645%0.45441%0.41SS..EExtended strand (participates in β ladder)trans-122.4149.3-177.856.40000112.6Q221 K222 Y223Q221-T369 PolarHBondContact O-N 3.33Å; Q221-T369 PolarHBondContact O-OG1 3.36Å; K222-T369 CarbonylContact C-O 3.51Å; K222-T369 WeakPolarHBondContact CA-O 3.42Å; K222-T369 WeakPolarHBondContact CG-OG1 3.48Å; Y223-T369 WeakPolarHBondContact CD1-O 3.47Å; Y223-T369 PolarHBondContact N-O 2.95Å
370E93.7Very high85.7Confident105 Ų10578.6 Ų78.649%0.49141%0.414SS..EExtended strand (participates in β ladder)trans-75138177.6-163.5170.1146.200111.7Y223Y223-E370 HydrophobicContact CD1-CB 4.37Å; Y223-E370 HydrophobicContact CD2-CG 4.22Å; Y223-E370 VanDerWaalsContact CE1-CA 3.47Å; Y223-E370 HydrophobicContact CE1-CB 3.65Å; Y223-E370 HydrophobicContact CE1-CG 4.2Å; Y223-E370 HydrophobicContact CE2-CB 3.95Å; Y223-E370 HydrophobicContact CE2-CG 3.54Å; Y223-E370 VanDerWaalsContact CZ-CB 3.4Å; Y223-E370 WeakPolarHBondContact OH-CB 3.47Å; Y223-E370 PolarHBondContact OH-OE2 3.07Å
371T91.7Very high85.7Confident52 Ų5277 Ų7732%0.31940%0.4SS..  trans-119.1118.3168.4-61.40000109.6K222 Y223K222-T371 WeakPolarHBondContact CB-OG1 3.31Å; K222-T371 VanDerWaalsContact CD-OG1 3.28Å; K222-T371 WeakPolarHBondContact CD-OG1 3.47Å; K222-T371 VanDerWaalsContact CG-OG1 3.29Å; K222-T371 WeakPolarHBondContact CG-OG1 3.42Å; Y223-T371 PolarHBondContact O-N 3.23Å
372K87.5Confident85.8Confident184 Ų18479.8 Ų79.880%0.841%0.413SS*.  trans-72.9129.7174.7-65-172.3178-175.90110.3
373I83.7Confident85.9Confident50 Ų5082.9 Ų82.926%0.25643%0.425SS..  trans-80.2129.3174.3-64.1165.5000108A224 V226 F234 P375 L378A224-I373 HydrophobicContact CB-CD1 3.75Å; A224-I373 HydrophobicContact CB-CG1 3.95Å; V226-I373 HydrophobicContact CG2-CD1 3.21Å; F234-I373 HydrophobicContact CD2-CD1 3.55Å; F234-I373 HydrophobicContact CD2-CG1 4.16Å; F234-I373 HydrophobicContact CD2-CG2 4.44Å; F234-I373 HydrophobicContact CE2-CD1 3.56Å; F234-I373 HydrophobicContact CE2-CG1 3.84Å; I373-P375 VanDerWaalsContact O-CD 3.25Å; I373-P375 WeakPolarHBondContact O-CD 3.39Å; I373-L378 HydrophobicContact CG2-CD1 3.93Å; I373-L378 HydrophobicContact CG2-CD2 3.95Å; I373-L378 HydrophobicContact CG2-CG 3.98Å
374N80.5Confident86.1Confident71 Ų7182.5 Ų82.538%0.3842%0.417SS..  trans-77.5112.1170.5-175.7-15.6000108.6D376 K377N374-D376 PolarHBondContact O-N 3.07Å; N374-D376 WeakPolarHBondContact OD1-CB 3.43Å; N374-D376 PolarHBondContact OD1-N 3.35Å; N374-D376 PolarHBondContact OD1-OD2 3.18Å; N374-K377 HydrophobicContact CB-CD 4.36Å; N374-K377 HydrophobicContact CB-CG 4.3Å; N374-K377 PolarHBondContact O-N 3.11Å; N374-K377 VanDerWaalsContact O-N 3.13Å
375P76.2Confident86.5Confident90 Ų9081.1 Ų81.158%0.58441%0.405SS*.G310 helixtrans-60.6-29.7-178.726.1-34.7000112.5I373 K377 L378I373-P375 VanDerWaalsContact O-CD 3.25Å; I373-P375 WeakPolarHBondContact O-CD 3.39Å; P375-K377 PolarHBondContact O-N 3.17Å; P375-K377 VanDerWaalsContact O-N 3.11Å; P375-L378 WeakPolarHBondContact O-CB 3.38Å; P375-L378 PolarHBondContact O-N 3.03Å
376D73.6Confident86.9Confident141 Ų14177.9 Ų77.975%0.75439%0.393SS*.G310 helixtrans-65.5-18.6-179.7-56-31.5000112.9N374N374-D376 PolarHBondContact O-N 3.07Å; N374-D376 WeakPolarHBondContact OD1-CB 3.43Å; N374-D376 PolarHBondContact OD1-N 3.35Å; N374-D376 PolarHBondContact OD1-OD2 3.18Å
377K74.9Confident87.3Confident128 Ų12881.4 Ų81.456%0.55741%0.414SS*.G310 helixtrans-95.6-1.7178.1-62.5-172.9178.5-177.40112.9S237 N374 P375 F379S237-K377 WeakPolarHBondContact CB-O 3.43Å; S237-K377 PolarHBondContact OG-O 2.95Å; N374-K377 HydrophobicContact CB-CD 4.36Å; N374-K377 HydrophobicContact CB-CG 4.3Å; N374-K377 PolarHBondContact O-N 3.11Å; N374-K377 VanDerWaalsContact O-N 3.13Å; P375-K377 PolarHBondContact O-N 3.17Å; P375-K377 VanDerWaalsContact O-N 3.11Å; K377-F379 PolarHBondContact O-N 3.09Å
378L79.5Confident87.6Confident61 Ų6180.1 Ų80.132%0.31940%0.404SS..  trans-83.1112.2177.5-67.9175.5000109.8F234 S237 I373 P375F234-L378 HydrophobicContact CB-CD2 4.3Å; F234-L378 HydrophobicContact CD2-CD2 4.3Å; S237-L378 WeakPolarHBondContact OG-CA 3.48Å; I373-L378 HydrophobicContact CG2-CD1 3.93Å; I373-L378 HydrophobicContact CG2-CD2 3.95Å; I373-L378 HydrophobicContact CG2-CG 3.98Å; P375-L378 WeakPolarHBondContact O-CB 3.38Å; P375-L378 PolarHBondContact O-N 3.03Å
379F83.2Confident87.6Confident127 Ų12779.9 Ų79.956%0.55740%0.403SS*.  trans-92.5116.1174.1-71.3-81.2000109.1S237 K377 I381S237-F379 PolarHBondContact OG-N 3.23Å; K377-F379 PolarHBondContact O-N 3.09Å; F379-I381 PolarHBondContact O-N 2.9Å
380S87.8Confident87.5Confident75 Ų7580.6 Ų80.652%0.52442%0.416SS..  trans-68118.9174.9-177.90000110.6N233N233-S380 WeakPolarHBondContact OD1-CA 3.21Å
381I91.7Very high87.5Confident1 Ų183 Ų831%0.00543%0.427CS..  trans-97.3-5.4172.857166.2000112.7L232 N233 W236 F264 L267 F379 K383 K384 L385L232-I381 HydrophobicContact CB-CD1 4.24Å; N233-I381 VanDerWaalsContact OD1-CG1 3.3Å; N233-I381 WeakPolarHBondContact OD1-CG1 3.32Å; N233-I381 PolarHBondContact OD1-N 2.69Å; W236-I381 HydrophobicContact CB-CD1 4Å; W236-I381 HydrophobicContact CB-CG1 4.46Å; W236-I381 HydrophobicContact CB-CG2 3.92Å; W236-I381 HydrophobicContact CD2-CG2 3.64Å; W236-I381 HydrophobicContact CE3-CG2 4.41Å; W236-I381 HydrophobicContact CG-CD1 4.46Å; W236-I381 HydrophobicContact CG-CG2 3.35Å; F264-I381 HydrophobicContact CE2-CD1 4.02Å; F264-I381 HydrophobicContact CZ-CD1 3.97Å; L267-I381 HydrophobicContact CD1-CB 4.41Å; L267-I381 HydrophobicContact CD1-CD1 4.02Å; L267-I381 HydrophobicContact CD1-CG2 4.48Å; F379-I381 PolarHBondContact O-N 2.9Å; I381-K383 PolarHBondContact O-N 3.49Å; I381-K384 WeakPolarHBondContact O-CB 3.48Å; I381-K384 PolarHBondContact O-N 2.95Å; I381-L385 HydrophobicContact CD1-CD1 3.75Å; I381-L385 HydrophobicContact CD1-CG 4.27Å; I381-L385 HydrophobicContact CG1-CD1 4.02Å; I381-L385 HydrophobicContact CG1-CG 4.44Å; I381-L385 PolarHBondContact O-N 2.94Å
382Q91.7Very high87.6Confident57 Ų5782.4 Ų82.427%0.26642%0.422SS..Hα-helixtrans-49.3-53.1-175.3-177.2179.26.200112.9K384 L385 Q386 L431Q382-K384 VanDerWaalsContact C-N 3.29Å; Q382-K384 PolarHBondContact O-N 2.89Å; Q382-L385 PolarHBondContact O-N 3.05Å; Q382-Q386 WeakPolarHBondContact O-CG 3.19Å; Q382-Q386 PolarHBondContact O-N 3.25Å; Q382-L431 VanDerWaalsContact CG-O 3.3Å; Q382-L431 WeakPolarHBondContact CG-O 3.48Å; Q382-L431 PolarHBondContact NE2-O 2.91Å
383K91.9Very high87.8Confident164 Ų16478.2 Ų78.271%0.71342%0.416SS*.Hα-helixtrans-60.8-37.7-179.8-68.4-177.8179.3178.90112.4I381 Q386 V387I381-K383 PolarHBondContact O-N 3.49Å; K383-Q386 PolarHBondContact O-N 3.41Å; K383-V387 WeakPolarHBondContact O-CG2 3.46Å; K383-V387 PolarHBondContact O-N 2.89Å; K383-V387 VanDerWaalsContact O-N 3.15Å
384K93Very high88.3Confident122 Ų12279.6 Ų79.653%0.5343%0.427SS..Hα-helixtrans-67.5-45.2177.2-64.7-176.3178-177.70110.7L267 I381 Q382 Q386 V387 M388L267-K384 HydrophobicContact CD2-CB 3.88Å; L267-K384 HydrophobicContact CD2-CD 4Å; I381-K384 WeakPolarHBondContact O-CB 3.48Å; I381-K384 PolarHBondContact O-N 2.95Å; Q382-K384 VanDerWaalsContact C-N 3.29Å; Q382-K384 PolarHBondContact O-N 2.89Å; K384-Q386 VanDerWaalsContact C-N 3.31Å; K384-Q386 PolarHBondContact O-N 3.44Å; K384-V387 PolarHBondContact O-N 2.66Å; K384-M388 WeakPolarHBondContact O-CG 3.47Å; K384-M388 PolarHBondContact O-N 3.2Å
385L93.4Very high89Confident1 Ų176.3 Ų76.31%0.00541%0.409CS..Hα-helixtrans-61.6-38.2175.9-70.2178.9000112.2L232 A263 L267 I381 Q382 M388 C389 S432L232-L385 HydrophobicContact CD1-CD1 4.15Å; A263-L385 HydrophobicContact CB-CD2 3.83Å; L267-L385 HydrophobicContact CD1-CD2 3.93Å; I381-L385 HydrophobicContact CD1-CD1 3.75Å; I381-L385 HydrophobicContact CD1-CG 4.27Å; I381-L385 HydrophobicContact CG1-CD1 4.02Å; I381-L385 HydrophobicContact CG1-CG 4.44Å; I381-L385 PolarHBondContact O-N 2.94Å; Q382-L385 PolarHBondContact O-N 3.05Å; L385-M388 HydrophobicContact CD2-SD 4.44Å; L385-M388 PolarHBondContact O-N 2.77Å; L385-C389 WeakPolarHBondContact O-CB 3.45Å; L385-C389 PolarHBondContact O-N 3.01Å; L385-C389 PolarHBondContact O-SG 3.08Å; L385-S432 WeakPolarHBondContact CD1-O 3.37Å
386Q93.2Very high89.8Confident66 Ų6676.7 Ų76.731%0.30840%0.401SS..Hα-helixtrans-60.1-48.4174.6-73.7174.6-1700111.9Q382 K383 K384 M388 C389 A390 G434Q382-Q386 WeakPolarHBondContact O-CG 3.19Å; Q382-Q386 PolarHBondContact O-N 3.25Å; K383-Q386 PolarHBondContact O-N 3.41Å; K384-Q386 VanDerWaalsContact C-N 3.31Å; K384-Q386 PolarHBondContact O-N 3.44Å; Q386-M388 VanDerWaalsContact C-N 3.32Å; Q386-M388 PolarHBondContact O-N 2.87Å; Q386-C389 PolarHBondContact O-N 3.11Å; Q386-A390 WeakPolarHBondContact O-CB 3.45Å; Q386-A390 PolarHBondContact O-N 3.4Å; Q386-G434 WeakPolarHBondContact CA-O 3.49Å
387V94Very high90.8Very high78 Ų7870.9 Ų70.947%0.47338%0.375SS..Hα-helixtrans-60.9-43.8176.1174.20000110.7K383 K384 A390 Q391K383-V387 WeakPolarHBondContact O-CG2 3.46Å; K383-V387 PolarHBondContact O-N 2.89Å; K383-V387 VanDerWaalsContact O-N 3.15Å; K384-V387 PolarHBondContact O-N 2.66Å; V387-A390 PolarHBondContact O-N 3.45Å; V387-Q391 HydrophobicContact CG1-CG 4.46Å; V387-Q391 WeakPolarHBondContact O-CB 3.21Å; V387-Q391 VanDerWaalsContact O-CG 3.32Å; V387-Q391 WeakPolarHBondContact O-CG 3.24Å; V387-Q391 PolarHBondContact O-N 2.85Å
388M93Very high91.7Very high27 Ų2765.8 Ų65.813%0.13335%0.353CS..Hα-helixtrans-66.1-40.7-179.7-68.3166.861.100112.9K266 L267 K384 L385 Q386 A390 Q391 D392 L395K266-M388 HydrophobicContact CB-CE 3.28Å; K266-M388 HydrophobicContact CD-CE 3.66Å; K266-M388 HydrophobicContact CG-CE 4.12Å; L267-M388 HydrophobicContact CD2-CE 4.49Å; L267-M388 HydrophobicContact CD2-SD 3.57Å; L267-M388 VanDerWaalsContact CD2-SD 3.57Å; L267-M388 HydrophobicContact CG-CE 4.22Å; L267-M388 HydrophobicContact CG-SD 3.91Å; K384-M388 WeakPolarHBondContact O-CG 3.47Å; K384-M388 PolarHBondContact O-N 3.2Å; L385-M388 HydrophobicContact CD2-SD 4.44Å; L385-M388 PolarHBondContact O-N 2.77Å; Q386-M388 VanDerWaalsContact C-N 3.32Å; Q386-M388 PolarHBondContact O-N 2.87Å; M388-A390 VanDerWaalsContact C-N 3.32Å; M388-Q391 PolarHBondContact O-N 3.4Å; M388-D392 WeakPolarHBondContact O-CB 3.43Å; M388-D392 PolarHBondContact O-N 2.69Å; M388-L395 HydrophobicContact CB-CD2 3.89Å; M388-L395 HydrophobicContact CE-CD2 3.95Å
389C91.9Very high92.4Very high4 Ų462.9 Ų62.93%0.02734%0.337CS..Hα-helixtrans-72.4-26176.1-67.10000112.4L385 Q386 K396L385-C389 WeakPolarHBondContact O-CB 3.45Å; L385-C389 PolarHBondContact O-N 3.01Å; L385-C389 PolarHBondContact O-SG 3.08Å; Q386-C389 PolarHBondContact O-N 3.11Å; C389-K396 HydrophobicContact CB-CB 4.26Å; C389-K396 WeakPolarHBondContact O-CB 3.21Å
390A92.2Very high92.9Very high88 Ų8860.3 Ų60.373%0.72733%0.327SS*.Hα-helixtrans-72.7-36.4172.200000111.9Q386 V387 M388Q386-A390 WeakPolarHBondContact O-CB 3.45Å; Q386-A390 PolarHBondContact O-N 3.4Å; V387-A390 PolarHBondContact O-N 3.45Å; M388-A390 VanDerWaalsContact C-N 3.32Å
391Q93.4Very high93.2Very high156 Ų15660.6 Ų60.673%0.72932%0.317SS*.Hα-helixtrans-83-34.5-179.1-70.8174.5-11.500113.6V387 M388V387-Q391 HydrophobicContact CG1-CG 4.46Å; V387-Q391 WeakPolarHBondContact O-CB 3.21Å; V387-Q391 VanDerWaalsContact O-CG 3.32Å; V387-Q391 WeakPolarHBondContact O-CG 3.24Å; V387-Q391 PolarHBondContact O-N 2.85Å; M388-Q391 PolarHBondContact O-N 3.4Å
392D93.2Very high93.4Very high39 Ų3960.8 Ų60.821%0.20932%0.318CS..  trans-114.7106.3-178.7-1792.4000111.6K266 M388 V394 L395 K396K266-D392 IonicContact NZ-OD2 3.3Å; K266-D392 PolarHBondContact NZ-OD2 3.12Å; M388-D392 WeakPolarHBondContact O-CB 3.43Å; M388-D392 PolarHBondContact O-N 2.69Å; D392-V394 VanDerWaalsContact C-N 3.26Å; D392-V394 PolarHBondContact O-N 2.97Å; D392-V394 WeakPolarHBondContact OD1-CA 3.23Å; D392-V394 VanDerWaalsContact OD1-CB 3.27Å; D392-V394 WeakPolarHBondContact OD1-CB 3.12Å; D392-V394 PolarHBondContact OD1-N 3.43Å; D392-L395 HydrophobicContact CB-CB 3.99Å; D392-L395 PolarHBondContact O-N 3.36Å; D392-L395 PolarHBondContact OD1-N 2.91Å; D392-L395 WeakPolarHBondContact OD2-CB 3.34Å; D392-K396 PolarHBondContact O-N 3.32Å; D392-K396 VanDerWaalsContact O-N 3.08Å
393S92.6Very high93.4Very high97 Ų9758.4 Ų58.468%0.67831%0.307SS*.Hα-helixtrans-61.8-31.7177.159.30000113.1G397S393-G397 PolarHBondContact O-N 3.4Å
394V94.4Very high93.5Very high79 Ų7952.4 Ų52.448%0.47928%0.284SS..Hα-helixtrans-69.7-46.7179.2-177.60000109.9D392 K396 G397 F398D392-V394 VanDerWaalsContact C-N 3.26Å; D392-V394 PolarHBondContact O-N 2.97Å; D392-V394 WeakPolarHBondContact OD1-CA 3.23Å; D392-V394 VanDerWaalsContact OD1-CB 3.27Å; D392-V394 WeakPolarHBondContact OD1-CB 3.12Å; D392-V394 PolarHBondContact OD1-N 3.43Å; V394-K396 VanDerWaalsContact C-N 3.32Å; V394-K396 PolarHBondContact O-N 3.28Å; V394-G397 PolarHBondContact O-N 3.46Å; V394-G397 VanDerWaalsContact O-N 3.16Å; V394-F398 HydrophobicContact CG1-CD2 4.33Å; V394-F398 HydrophobicContact CG1-CE1 4.2Å; V394-F398 HydrophobicContact CG1-CE2 3.64Å; V394-F398 HydrophobicContact CG1-CZ 3.54Å; V394-F398 WeakPolarHBondContact O-CG 3.4Å; V394-F398 PolarHBondContact O-N 2.69Å
395L93.9Very high93.5Very high1 Ų146.9 Ų46.91%0.00526%0.262CS..Hα-helixtrans-62.2-41176.7-175.365.5000111.6F259 N262 A263 K266 M388 D392 G397 F398 A399F259-L395 HydrophobicContact CD2-CD1 3.99Å; F259-L395 HydrophobicContact CE2-CD1 4.08Å; F259-L395 HydrophobicContact CE2-CG 4.4Å; N262-L395 HydrophobicContact CB-CD1 4.04Å; A263-L395 HydrophobicContact CB-CD1 4.21Å; K266-L395 HydrophobicContact CD-CD2 4.4Å; M388-L395 HydrophobicContact CB-CD2 3.89Å; M388-L395 HydrophobicContact CE-CD2 3.95Å; D392-L395 HydrophobicContact CB-CB 3.99Å; D392-L395 PolarHBondContact O-N 3.36Å; D392-L395 PolarHBondContact OD1-N 2.91Å; D392-L395 WeakPolarHBondContact OD2-CB 3.34Å; L395-G397 VanDerWaalsContact C-N 3.33Å; L395-G397 PolarHBondContact O-N 3.4Å; L395-F398 PolarHBondContact O-N 2.79Å; L395-A399 PolarHBondContact O-N 3.2Å
396K93.5Very high93.5Very high99 Ų9947.2 Ų47.243%0.4326%0.263SS..Hα-helixtrans-57.7-45.4172.9-177.6-177.7175.8-177.60111.7C389 D392 V394 F398 A399 Q400 L435C389-K396 HydrophobicContact CB-CB 4.26Å; C389-K396 WeakPolarHBondContact O-CB 3.21Å; D392-K396 PolarHBondContact O-N 3.32Å; D392-K396 VanDerWaalsContact O-N 3.08Å; V394-K396 VanDerWaalsContact C-N 3.32Å; V394-K396 PolarHBondContact O-N 3.28Å; K396-F398 VanDerWaalsContact C-N 3.32Å; K396-F398 PolarHBondContact O-N 3.06Å; K396-A399 WeakPolarHBondContact O-CB 3.18Å; K396-A399 PolarHBondContact O-N 2.68Å; K396-Q400 WeakPolarHBondContact O-CG 3.27Å; K396-Q400 PolarHBondContact O-N 3.01Å; K396-L435 HydrophobicContact CG-CD2 3.86Å
397G93.9Very high93.4Very high19 Ų1944.1 Ų44.120%0.19625%0.249CC..Hα-helixtrans-61.9-37.3175.700000112.9S393 V394 L395 R401S393-G397 PolarHBondContact O-N 3.4Å; V394-G397 PolarHBondContact O-N 3.46Å; V394-G397 VanDerWaalsContact O-N 3.16Å; L395-G397 VanDerWaalsContact C-N 3.33Å; L395-G397 PolarHBondContact O-N 3.4Å; G397-R401 WeakPolarHBondContact O-CB 3.5Å; G397-R401 WeakPolarHBondContact O-CG 3.35Å; G397-R401 PolarHBondContact O-N 3.43Å; G397-R401 VanDerWaalsContact O-N 3.13Å
398F94.9Very high93.2Very high20 Ų2043.7 Ų43.79%0.08824%0.24CC..Hα-helixtrans-65.7-43.8172.2-63.4-28.2000112.4R258 F259 N262 V394 L395 K396 Q400 R401 A402R258-F398 HydrophobicContact CG-CD1 4.46Å; R258-F398 HydrophobicContact CG-CD2 4.48Å; R258-F398 HydrophobicContact CG-CE1 4.48Å; R258-F398 HydrophobicContact CG-CE2 4.47Å; R258-F398 HydrophobicContact CG-CG 4.49Å; R258-F398 HydrophobicContact CG-CZ 4.5Å; R258-F398 VanDerWaalsContact NE-CZ 3.26Å; F259-F398 HydrophobicContact CB-CB 4.06Å; F259-F398 HydrophobicContact CD2-CB 4.22Å; N262-F398 HydrophobicContact CB-CD2 4.43Å; V394-F398 HydrophobicContact CG1-CD2 4.33Å; V394-F398 HydrophobicContact CG1-CE1 4.2Å; V394-F398 HydrophobicContact CG1-CE2 3.64Å; V394-F398 HydrophobicContact CG1-CZ 3.54Å; V394-F398 WeakPolarHBondContact O-CG 3.4Å; V394-F398 PolarHBondContact O-N 2.69Å; L395-F398 PolarHBondContact O-N 2.79Å; K396-F398 VanDerWaalsContact C-N 3.32Å; K396-F398 PolarHBondContact O-N 3.06Å; F398-Q400 PolarHBondContact O-N 3.42Å; F398-R401 PolarHBondContact O-N 2.88Å; F398-A402 WeakPolarHBondContact O-CB 3.42Å; F398-A402 PolarHBondContact O-N 3.07Å
399A94.2Very high93Very high0 Ų043.8 Ų43.80%024%0.243CC..Hα-helixtrans-57.7-48.6176.300000111.9F259 L395 K396 R401 A402 I403 L435F259-A399 HydrophobicContact CD2-CB 3.73Å; F259-A399 HydrophobicContact CE2-CB 3.45Å; F259-A399 VanDerWaalsContact CE2-CB 3.45Å; F259-A399 HydrophobicContact CG-CB 4.42Å; F259-A399 HydrophobicContact CZ-CB 3.92Å; L395-A399 PolarHBondContact O-N 3.2Å; K396-A399 WeakPolarHBondContact O-CB 3.18Å; K396-A399 PolarHBondContact O-N 2.68Å; A399-R401 PolarHBondContact O-N 3.31Å; A399-A402 PolarHBondContact O-N 2.83Å; A399-I403 WeakPolarHBondContact O-CG1 3.29Å; A399-I403 PolarHBondContact O-N 3.46Å; A399-I403 VanDerWaalsContact O-N 3.11Å; A399-L435 HydrophobicContact CB-CD1 4.28Å; A399-L435 HydrophobicContact CB-CD2 3.87Å; A399-L435 HydrophobicContact CB-CG 4.04Å
400Q94.2Very high92.9Very high74 Ų7443.7 Ų43.735%0.34624%0.243SC..Hα-helixtrans-59.2-50.7178.6-71.5176.2-32.500111.5K396 F398 A402 I403 V404 L435 P439K396-Q400 WeakPolarHBondContact O-CG 3.27Å; K396-Q400 PolarHBondContact O-N 3.01Å; F398-Q400 PolarHBondContact O-N 3.42Å; Q400-A402 VanDerWaalsContact C-N 3.31Å; Q400-A402 PolarHBondContact O-N 3.36Å; Q400-I403 PolarHBondContact O-N 3.46Å; Q400-V404 WeakPolarHBondContact O-CG2 3.44Å; Q400-V404 PolarHBondContact O-N 3.44Å; Q400-L435 HydrophobicContact CG-CD1 3.76Å; Q400-L435 HydrophobicContact CG-CD2 3.88Å; Q400-P439 HydrophobicContact CB-CB 4.44Å
401R93.9Very high92.7Very high81 Ų8142.2 Ų42.231%0.30622%0.22SC..Hα-helixtrans-65.4-33.4179.8-73.5-168.8-76-175.7-5.7112.8G397 F398 A399 A405 D476G397-R401 WeakPolarHBondContact O-CB 3.5Å; G397-R401 WeakPolarHBondContact O-CG 3.35Å; G397-R401 PolarHBondContact O-N 3.43Å; G397-R401 VanDerWaalsContact O-N 3.13Å; F398-R401 PolarHBondContact O-N 2.88Å; A399-R401 PolarHBondContact O-N 3.31Å; R401-A405 VanDerWaalsContact O-CB 3.28Å; R401-A405 WeakPolarHBondContact O-CB 3.06Å; R401-A405 PolarHBondContact O-N 3.1Å; R401-D476 IonicContact NH1-OD1 2.74Å; R401-D476 PolarHBondContact NH1-OD1 3.41Å
402A94.5Very high92.3Very high4 Ų441.8 Ų41.83%0.03322%0.216CC..Hα-helixtrans-64.3-47176.700000112.1Q256 F259 F398 A399 Q400 A405 Y406Q256-A402 HydrophobicContact CG-CB 4.18Å; F259-A402 HydrophobicContact CB-CB 3.7Å; F259-A402 HydrophobicContact CD1-CB 4.2Å; F259-A402 HydrophobicContact CG-CB 4.14Å; F398-A402 WeakPolarHBondContact O-CB 3.42Å; F398-A402 PolarHBondContact O-N 3.07Å; A399-A402 PolarHBondContact O-N 2.83Å; Q400-A402 VanDerWaalsContact C-N 3.31Å; Q400-A402 PolarHBondContact O-N 3.36Å; A402-A405 PolarHBondContact O-N 3.38Å; A402-Y406 WeakPolarHBondContact O-CB 3.37Å; A402-Y406 PolarHBondContact O-N 3.11Å
403I93.3Very high92Very high8 Ų840.9 Ų40.94%0.04121%0.211CC..Hα-helixtrans-64.8-46.9179.6-65.5171.2000110.7A399 Q400 A405 Y406 V407 V429 A430 A433 L435 P439A399-I403 WeakPolarHBondContact O-CG1 3.29Å; A399-I403 PolarHBondContact O-N 3.46Å; A399-I403 VanDerWaalsContact O-N 3.11Å; Q400-I403 PolarHBondContact O-N 3.46Å; I403-A405 VanDerWaalsContact C-N 3.26Å; I403-A405 PolarHBondContact O-N 3.4Å; I403-Y406 PolarHBondContact O-N 2.97Å; I403-V407 HydrophobicContact CG2-CG2 4.37Å; I403-V407 VanDerWaalsContact O-CG2 3.32Å; I403-V407 WeakPolarHBondContact O-CG2 3.47Å; I403-V407 PolarHBondContact O-N 3.31Å; I403-V429 HydrophobicContact CD1-CG1 4.44Å; I403-V429 HydrophobicContact CG1-CG1 4.24Å; I403-A430 HydrophobicContact CD1-CB 4.01Å; I403-A433 HydrophobicContact CD1-CB 4Å; I403-L435 HydrophobicContact CD1-CD1 3.68Å; I403-P439 HydrophobicContact CB-CG 4.09Å; I403-P439 HydrophobicContact CG2-CG 3.95Å
404V93.1Very high91.3Very high37 Ų3739.8 Ų39.822%0.22421%0.214CC..Hα-helixtrans-57.5-43.5177.41760000110.5Q400 K408 P439 I441Q400-V404 WeakPolarHBondContact O-CG2 3.44Å; Q400-V404 PolarHBondContact O-N 3.44Å; V404-K408 VanDerWaalsContact O-CB 3.23Å; V404-K408 WeakPolarHBondContact O-CB 3.26Å; V404-K408 PolarHBondContact O-N 3.05Å; V404-P439 HydrophobicContact CG2-CB 3.92Å; V404-P439 HydrophobicContact CG2-CG 3.89Å; V404-I441 HydrophobicContact CG2-CG1 4.29Å
405A92.4Very high90.8Very high7 Ų739.2 Ų39.26%0.05821%0.209CC..Hα-helixtrans-71.5-33179.700000113.5S253 R255 R401 A402 I403 S409S253-A405 VanDerWaalsContact OG-CB 3.25Å; S253-A405 WeakPolarHBondContact OG-CB 3.3Å; R255-A405 HydrophobicContact CB-CB 4.01Å; R255-A405 HydrophobicContact CG-CB 4.12Å; R401-A405 VanDerWaalsContact O-CB 3.28Å; R401-A405 WeakPolarHBondContact O-CB 3.06Å; R401-A405 PolarHBondContact O-N 3.1Å; A402-A405 PolarHBondContact O-N 3.38Å; I403-A405 VanDerWaalsContact C-N 3.26Å; I403-A405 PolarHBondContact O-N 3.4Å; A405-S409 PolarHBondContact O-N 3.13Å
406Y92.9Very high90.4Very high8 Ų844 Ų443%0.03123%0.229CC..Hα-helixtrans-63.5-50.9172.8177.2-117.1000111.5E228 K231 D322 A402 I403 K408 S409 I410 I424E228-Y406 PolarHBondContact OE1-OH 2.91Å; E228-Y406 PolarHBondContact OE2-OH 2.79Å; K231-Y406 PolarHBondContact NZ-OH 3.03Å; D322-Y406 WeakPolarHBondContact OD1-CE2 3.34Å; A402-Y406 WeakPolarHBondContact O-CB 3.37Å; A402-Y406 PolarHBondContact O-N 3.11Å; I403-Y406 PolarHBondContact O-N 2.97Å; Y406-K408 VanDerWaalsContact C-N 3.26Å; Y406-K408 PolarHBondContact O-N 3.33Å; Y406-S409 PolarHBondContact O-N 3.08Å; Y406-S409 PolarHBondContact O-OG 3.47Å; Y406-I410 HydrophobicContact CD2-CG1 4.36Å; Y406-I410 HydrophobicContact CE1-CG1 4.29Å; Y406-I410 HydrophobicContact CE2-CD1 3.93Å; Y406-I410 HydrophobicContact CE2-CG1 3.91Å; Y406-I410 WeakPolarHBondContact O-CG1 3.44Å; Y406-I410 PolarHBondContact O-N 3.33Å; Y406-I424 HydrophobicContact CE1-CD1 4.11Å
407V91.8Very high89.9Confident1 Ų147.1 Ų47.11%0.00625%0.246CC..Hα-helixtrans-63-39.1179.31790000110.4I403 F411 A421 L426 I441 F443 M444I403-V407 HydrophobicContact CG2-CG2 4.37Å; I403-V407 VanDerWaalsContact O-CG2 3.32Å; I403-V407 WeakPolarHBondContact O-CG2 3.47Å; I403-V407 PolarHBondContact O-N 3.31Å; V407-F411 VanDerWaalsContact O-CB 3.28Å; V407-F411 WeakPolarHBondContact O-CB 3.34Å; V407-F411 PolarHBondContact O-N 2.73Å; V407-A421 HydrophobicContact CG1-CB 4.26Å; V407-L426 HydrophobicContact CB-CD2 4.48Å; V407-L426 HydrophobicContact CG1-CD2 4.34Å; V407-L426 HydrophobicContact CG2-CD2 3.36Å; V407-I441 HydrophobicContact CB-CD1 3.88Å; V407-I441 HydrophobicContact CG1-CD1 3.88Å; V407-I441 HydrophobicContact CG2-CD1 3.84Å; V407-F443 HydrophobicContact CG1-CZ 4.14Å; V407-M444 HydrophobicContact CG1-CE 3.72Å; V407-M444 HydrophobicContact CG1-SD 3.76Å
408K90.1Very high89.5Confident69 Ų6946.8 Ų46.830%0.324%0.239SC..Hα-helixtrans-60.6-42.3173.2-172.2-178.9173.5-169.70111.6V404 Y406 F411 F412 F443 D481V404-K408 VanDerWaalsContact O-CB 3.23Å; V404-K408 WeakPolarHBondContact O-CB 3.26Å; V404-K408 PolarHBondContact O-N 3.05Å; Y406-K408 VanDerWaalsContact C-N 3.26Å; Y406-K408 PolarHBondContact O-N 3.33Å; K408-F411 WeakPolarHBondContact O-CB 3.39Å; K408-F411 PolarHBondContact O-N 3.46Å; K408-F412 HydrophobicContact CD-CE2 4.28Å; K408-F412 HydrophobicContact CG-CD2 3.81Å; K408-F412 HydrophobicContact CG-CE2 3.6Å; K408-F412 WeakPolarHBondContact O-CD2 3.13Å; K408-F412 PolarHBondContact O-N 3.15Å; K408-F412 VanDerWaalsContact O-N 3.1Å; K408-F443 HydrophobicContact CB-CE1 3.92Å; K408-F443 HydrophobicContact CB-CZ 4.01Å; K408-F443 HydrophobicContact CG-CE1 4.24Å; K408-F443 HydrophobicContact CG-CZ 4.49Å; K408-D481 IonicContact NZ-OD2 3.39Å; K408-D481 PolarHBondContact NZ-OD2 3.35Å
409S89.3Confident89.1Confident28 Ų2845.9 Ų45.920%0.19624%0.235CC..Hα-helixtrans-66.2-45.9179.871.70000111.8A405 Y406 F411 F412 M413A405-S409 PolarHBondContact O-N 3.13Å; Y406-S409 PolarHBondContact O-N 3.08Å; Y406-S409 PolarHBondContact O-OG 3.47Å; S409-F411 VanDerWaalsContact C-N 3.27Å; S409-F411 PolarHBondContact O-N 2.91Å; S409-F412 PolarHBondContact O-N 3Å; S409-F412 VanDerWaalsContact O-N 3.09Å; S409-M413 WeakPolarHBondContact O-CG 3.24Å; S409-M413 PolarHBondContact O-N 3.05Å
410I89.5Confident88.7Confident3 Ų348.3 Ų48.32%0.01525%0.248CC..Hα-helixtrans-58.6-41.6173-59.2-59.3000110.7Y406 F412 M413 F419 A421 I424Y406-I410 HydrophobicContact CD2-CG1 4.36Å; Y406-I410 HydrophobicContact CE1-CG1 4.29Å; Y406-I410 HydrophobicContact CE2-CD1 3.93Å; Y406-I410 HydrophobicContact CE2-CG1 3.91Å; Y406-I410 WeakPolarHBondContact O-CG1 3.44Å; Y406-I410 PolarHBondContact O-N 3.33Å; I410-F412 VanDerWaalsContact C-N 3.26Å; I410-F412 PolarHBondContact O-N 3.36Å; I410-M413 HydrophobicContact CD1-SD 3.89Å; I410-M413 PolarHBondContact O-N 3.06Å; I410-F419 HydrophobicContact CD1-CD1 4.12Å; I410-F419 HydrophobicContact CG2-CB 3.98Å; I410-A421 HydrophobicContact CG2-CB 4.28Å; I410-I424 HydrophobicContact CB-CD1 4.28Å; I410-I424 HydrophobicContact CG1-CD1 4.14Å; I410-I424 HydrophobicContact CG2-CD1 4.13Å
411F87.9Confident88.3Confident57 Ų5745 Ų4525%0.2523%0.234CC..Hα-helixtrans-63.2-26.6177.2-178.2-91.7000113.9V407 K408 S409 K416 A421 F443V407-F411 VanDerWaalsContact O-CB 3.28Å; V407-F411 WeakPolarHBondContact O-CB 3.34Å; V407-F411 PolarHBondContact O-N 2.73Å; K408-F411 WeakPolarHBondContact O-CB 3.39Å; K408-F411 PolarHBondContact O-N 3.46Å; S409-F411 VanDerWaalsContact C-N 3.27Å; S409-F411 PolarHBondContact O-N 2.91Å; F411-K416 PolarHBondContact O-NZ 3.49Å; F411-A421 HydrophobicContact CB-CB 4.13Å; F411-A421 HydrophobicContact CD2-CB 4.4Å; F411-F443 HydrophobicContact CB-CE2 3.84Å; F411-F443 HydrophobicContact CB-CZ 4.31Å; F411-F443 HydrophobicContact CD1-CD2 4.27Å; F411-F443 HydrophobicContact CD1-CE2 4.06Å; F411-F443 HydrophobicContact CD2-CD2 4.39Å; F411-F443 AromaticContact CD2-CE2 3.96Å; F411-F443 HydrophobicContact CD2-CE2 3.96Å; F411-F443 HydrophobicContact CE1-CD2 4.49Å; F411-F443 HydrophobicContact CG-CD2 4.23Å; F411-F443 AromaticContact CG-CE2 3.66Å; F411-F443 HydrophobicContact CG-CE2 3.66Å
412F85.5Confident87.8Confident146 Ų14647 Ų4764%0.6425%0.247SC*.Hα-helixtrans-93.5-11.5177.8-78.1-66.4000114.2K408 S409 I410 G414K408-F412 HydrophobicContact CD-CE2 4.28Å; K408-F412 HydrophobicContact CG-CD2 3.81Å; K408-F412 HydrophobicContact CG-CE2 3.6Å; K408-F412 WeakPolarHBondContact O-CD2 3.13Å; K408-F412 PolarHBondContact O-N 3.15Å; K408-F412 VanDerWaalsContact O-N 3.1Å; S409-F412 PolarHBondContact O-N 3Å; S409-F412 VanDerWaalsContact O-N 3.09Å; I410-F412 VanDerWaalsContact C-N 3.26Å; I410-F412 PolarHBondContact O-N 3.36Å; F412-G414 PolarHBondContact O-N 3.33Å
413M85.9Confident87.5Confident21 Ų2152.7 Ų52.710%0.10327%0.27CS..  trans-63.1136.8175.6-74.1174.4162.800111.3N252 S409 I410 K416 F419N252-M413 VanDerWaalsContact ND2-CE 3.29Å; N252-M413 WeakPolarHBondContact ND2-CE 3.23Å; S409-M413 WeakPolarHBondContact O-CG 3.24Å; S409-M413 PolarHBondContact O-N 3.05Å; I410-M413 HydrophobicContact CD1-SD 3.89Å; I410-M413 PolarHBondContact O-N 3.06Å; M413-K416 WeakPolarHBondContact O-CE 3.41Å; M413-K416 PolarHBondContact O-NZ 3.03Å; M413-F419 HydrophobicContact CB-CB 3.82Å; M413-F419 HydrophobicContact CB-CD2 3.7Å; M413-F419 HydrophobicContact CB-CE2 4.45Å; M413-F419 HydrophobicContact CB-CG 3.79Å; M413-F419 HydrophobicContact CG-CD2 4.34Å; M413-F419 HydrophobicContact CG-CG 4.33Å; M413-F419 HydrophobicContact SD-CB 4.27Å; M413-F419 HydrophobicContact SD-CD1 3.44Å; M413-F419 WeakPolarHBondContact SD-CD1 3.39Å; M413-F419 HydrophobicContact SD-CD2 3.89Å; M413-F419 HydrophobicContact SD-CE1 3.63Å; M413-F419 HydrophobicContact SD-CE2 4.06Å; M413-F419 HydrophobicContact SD-CG 3.58Å; M413-F419 VanDerWaalsContact SD-CG 3.58Å; M413-F419 HydrophobicContact SD-CZ 3.94Å
414G78.9Confident87.2Confident73 Ų7353 Ų5375%0.75327%0.272SS*.SBendtrans-67.1-40.1-170.100000114.1F412 K416F412-G414 PolarHBondContact O-N 3.33Å; G414-K416 PolarHBondContact O-N 3.41Å; G414-K416 VanDerWaalsContact O-N 3.1Å
415N84.4Confident87.1Confident67 Ų6755.6 Ų55.636%0.35829%0.285SS..  trans-81.993.1-176.7-168.1-23.7000111.7E417 I418 F419N415-E417 VanDerWaalsContact C-N 3.25Å; N415-E417 PolarHBondContact O-N 3.21Å; N415-E417 WeakPolarHBondContact OD1-CB 3.25Å; N415-E417 PolarHBondContact OD1-N 2.87Å; N415-E417 VanDerWaalsContact OD1-N 3.14Å; N415-I418 HydrophobicContact CB-CD1 4.46Å; N415-I418 HydrophobicContact CB-CG1 4.37Å; N415-I418 VanDerWaalsContact ND2-CD1 3.28Å; N415-I418 WeakPolarHBondContact ND2-CD1 3.41Å; N415-I418 WeakPolarHBondContact ND2-CG1 3.21Å; N415-I418 PolarHBondContact O-N 3.08Å; N415-I418 PolarHBondContact OD1-N 2.9Å; N415-F419 HydrophobicContact CB-CD2 4.24Å; N415-F419 WeakPolarHBondContact O-CB 3.43Å; N415-F419 WeakPolarHBondContact O-CD2 3.39Å; N415-F419 PolarHBondContact O-N 2.99Å
416K84.7Confident87Confident101 Ų10157.2 Ų57.244%0.43929%0.292SS..THydrogen-bonded Turntrans-69.3-17.8-178.9-60-50.2-175.1-163.20114.8F411 M413 G414F411-K416 PolarHBondContact O-NZ 3.49Å; M413-K416 WeakPolarHBondContact O-CE 3.41Å; M413-K416 PolarHBondContact O-NZ 3.03Å; G414-K416 PolarHBondContact O-N 3.41Å; G414-K416 VanDerWaalsContact O-N 3.1Å
417E83Confident87Confident166 Ų16660.5 Ų60.578%0.77631%0.308SS*.THydrogen-bonded Turntrans-71.3-37.3175.6-59.2-176.6166.800111.1N415N415-E417 VanDerWaalsContact C-N 3.25Å; N415-E417 PolarHBondContact O-N 3.21Å; N415-E417 WeakPolarHBondContact OD1-CB 3.25Å; N415-E417 PolarHBondContact OD1-N 2.87Å; N415-E417 VanDerWaalsContact OD1-N 3.14Å
418I84.4Confident87Confident12 Ų1261.2 Ų61.26%0.06231%0.314CS..THydrogen-bonded Turntrans-87.5-41.5178.8-50.9-173000110.8Q354 S356 L357 N415Q354-I418 HydrophobicContact CB-CG2 4.17Å; Q354-I418 HydrophobicContact CG-CG2 4.14Å; S356-I418 WeakPolarHBondContact OG-CG1 3.31Å; L357-I418 HydrophobicContact CB-CD1 4.2Å; L357-I418 HydrophobicContact CB-CG2 4.31Å; L357-I418 HydrophobicContact CD1-CD1 4.32Å; N415-I418 HydrophobicContact CB-CD1 4.46Å; N415-I418 HydrophobicContact CB-CG1 4.37Å; N415-I418 VanDerWaalsContact ND2-CD1 3.28Å; N415-I418 WeakPolarHBondContact ND2-CD1 3.41Å; N415-I418 WeakPolarHBondContact ND2-CG1 3.21Å; N415-I418 PolarHBondContact O-N 3.08Å; N415-I418 PolarHBondContact OD1-N 2.9Å
419F86.7Confident87.2Confident1 Ų158.7 Ų58.70%0.00430%0.304CS..  trans-112.779.3-170.9-58.2-65.3000110.9C323 P324 S325 I410 M413 N415C323-F419 HydrophobicContact CB-CE1 4.07Å; P324-F419 VanDerWaalsContact O-CZ 3.29Å; P324-F419 WeakPolarHBondContact O-CZ 3.48Å; S325-F419 WeakPolarHBondContact O-CE2 3.35Å; I410-F419 HydrophobicContact CD1-CD1 4.12Å; I410-F419 HydrophobicContact CG2-CB 3.98Å; M413-F419 HydrophobicContact CB-CB 3.82Å; M413-F419 HydrophobicContact CB-CD2 3.7Å; M413-F419 HydrophobicContact CB-CE2 4.45Å; M413-F419 HydrophobicContact CB-CG 3.79Å; M413-F419 HydrophobicContact CG-CD2 4.34Å; M413-F419 HydrophobicContact CG-CG 4.33Å; M413-F419 HydrophobicContact SD-CB 4.27Å; M413-F419 HydrophobicContact SD-CD1 3.44Å; M413-F419 WeakPolarHBondContact SD-CD1 3.39Å; M413-F419 HydrophobicContact SD-CD2 3.89Å; M413-F419 HydrophobicContact SD-CE1 3.63Å; M413-F419 HydrophobicContact SD-CE2 4.06Å; M413-F419 HydrophobicContact SD-CG 3.58Å; M413-F419 VanDerWaalsContact SD-CG 3.58Å; M413-F419 HydrophobicContact SD-CZ 3.94Å; N415-F419 HydrophobicContact CB-CD2 4.24Å; N415-F419 WeakPolarHBondContact O-CB 3.43Å; N415-F419 WeakPolarHBondContact O-CD2 3.39Å; N415-F419 PolarHBondContact O-N 2.99Å
420D85.7Confident87.4Confident50 Ų5057.4 Ų57.427%0.26730%0.295SS..  trans-103.2108.8175.1-170.8-10000110.4E422 K423D420-E422 PolarHBondContact O-N 2.9Å; D420-E422 WeakPolarHBondContact OD1-CB 3.31Å; D420-E422 PolarHBondContact OD1-N 3.39Å; D420-K423 HydrophobicContact CB-CB 4.36Å; D420-K423 HydrophobicContact CB-CD 3.96Å; D420-K423 HydrophobicContact CB-CG 4.14Å; D420-K423 PolarHBondContact O-N 3.28Å; D420-K423 WeakPolarHBondContact OD2-CD 3.45Å; D420-K423 WeakPolarHBondContact OD2-CE 3.42Å; D420-K423 WeakPolarHBondContact OD2-CG 3.49Å; D420-K423 IonicContact OD2-NZ 3.59Å
421A85.7Confident87.6Confident6 Ų659.9 Ų59.95%0.0531%0.308CS..SBendtrans-68-24.5179.200000112.7V407 I410 F411 K423 I424 M444V407-A421 HydrophobicContact CG1-CB 4.26Å; I410-A421 HydrophobicContact CG2-CB 4.28Å; F411-A421 HydrophobicContact CB-CB 4.13Å; F411-A421 HydrophobicContact CD2-CB 4.4Å; A421-K423 VanDerWaalsContact C-N 3.34Å; A421-I424 PolarHBondContact O-N 3.34Å; A421-M444 HydrophobicContact CB-SD 4.42Å
422E85Confident87.8Confident122 Ų12257.4 Ų57.457%0.5730%0.298SS*.THydrogen-bonded Turntrans-76.4-25.1-177.7-61.5-177.6-17800111.8D420 I424D420-E422 PolarHBondContact O-N 2.9Å; D420-E422 WeakPolarHBondContact OD1-CB 3.31Å; D420-E422 PolarHBondContact OD1-N 3.39Å; E422-I424 VanDerWaalsContact C-N 3.25Å; E422-I424 PolarHBondContact O-N 2.94Å
423K87Confident88.1Confident123 Ų12350.6 Ų50.654%0.53527%0.269SS..THydrogen-bonded Turntrans-77.5-6.5175.5-69.6178.3-173165.60113.9D420 A421 N425D420-K423 HydrophobicContact CB-CB 4.36Å; D420-K423 HydrophobicContact CB-CD 3.96Å; D420-K423 HydrophobicContact CB-CG 4.14Å; D420-K423 PolarHBondContact O-N 3.28Å; D420-K423 WeakPolarHBondContact OD2-CD 3.45Å; D420-K423 WeakPolarHBondContact OD2-CE 3.42Å; D420-K423 WeakPolarHBondContact OD2-CG 3.49Å; D420-K423 IonicContact OD2-NZ 3.59Å; A421-K423 VanDerWaalsContact C-N 3.34Å; K423-N425 PolarHBondContact O-N 3.37Å
424I88.2Confident88.3Confident16 Ų1649.8 Ų49.88%0.08227%0.266CS..SBendtrans-78.6122.4-179.8-59.5175.5000109.4Y406 I410 A421 E422 L426 V429Y406-I424 HydrophobicContact CE1-CD1 4.11Å; I410-I424 HydrophobicContact CB-CD1 4.28Å; I410-I424 HydrophobicContact CG1-CD1 4.14Å; I410-I424 HydrophobicContact CG2-CD1 4.13Å; A421-I424 PolarHBondContact O-N 3.34Å; E422-I424 VanDerWaalsContact C-N 3.25Å; E422-I424 PolarHBondContact O-N 2.94Å; I424-L426 VanDerWaalsContact C-N 3.31Å; I424-L426 HydrophobicContact CG2-CD2 4.21Å; I424-L426 PolarHBondContact O-N 2.99Å; I424-V429 HydrophobicContact CG2-CG2 4.13Å
425N91Very high89Confident90 Ų9046.5 Ų46.548%0.48123%0.231SC..  trans-73.486.2170.6-172.6-18.2000110.5K423 Q427 A428 V429K423-N425 PolarHBondContact O-N 3.37Å; N425-Q427 PolarHBondContact O-N 3.3Å; N425-Q427 PolarHBondContact OD1-N 3.02Å; N425-A428 HydrophobicContact CB-CB 4Å; N425-A428 VanDerWaalsContact CG-CB 3.49Å; N425-A428 PolarHBondContact O-N 3.28Å; N425-A428 VanDerWaalsContact O-N 3.16Å; N425-A428 PolarHBondContact OD1-N 3.23Å; N425-V429 WeakPolarHBondContact O-CG2 3.41Å; N425-V429 PolarHBondContact O-N 3.28Å
426L90.6Very high89.2Confident41 Ų4149.5 Ų49.522%0.21525%0.251CS..Hα-helixtrans-55.6-37.1-178.1-62.5174.8000113V407 I424 A430 A438 I441 M444V407-L426 HydrophobicContact CB-CD2 4.48Å; V407-L426 HydrophobicContact CG1-CD2 4.34Å; V407-L426 HydrophobicContact CG2-CD2 3.36Å; I424-L426 VanDerWaalsContact C-N 3.31Å; I424-L426 HydrophobicContact CG2-CD2 4.21Å; I424-L426 PolarHBondContact O-N 2.99Å; L426-A430 VanDerWaalsContact O-CB 3.23Å; L426-A430 WeakPolarHBondContact O-CB 3.38Å; L426-A430 PolarHBondContact O-N 2.94Å; L426-A438 HydrophobicContact CB-CB 4.09Å; L426-I441 HydrophobicContact CD1-CD1 4.08Å; L426-I441 HydrophobicContact CD2-CD1 3.91Å; L426-M444 HydrophobicContact CD1-CE 3.59Å; L426-M444 HydrophobicContact CD2-CE 4.43Å
427Q92.1Very high89.3Confident77 Ų7748.5 Ų48.536%0.3626%0.256SS..Hα-helixtrans-69.8-42.2-178.7-175.660.226.200110.8N425 A430 L431 V436N425-Q427 PolarHBondContact O-N 3.3Å; N425-Q427 PolarHBondContact OD1-N 3.02Å; Q427-A430 PolarHBondContact O-N 3.41Å; Q427-L431 HydrophobicContact CG-CD1 4.23Å; Q427-L431 WeakPolarHBondContact O-CB 3.06Å; Q427-L431 VanDerWaalsContact O-CG 3.23Å; Q427-L431 WeakPolarHBondContact O-CG 3.46Å; Q427-L431 PolarHBondContact O-N 2.97Å; Q427-V436 PolarHBondContact NE2-O 3.48Å
428A92.5Very high89.6Confident17 Ų1742 Ų4214%0.1423%0.231CC..Hα-helixtrans-64.1-42.9175.800000111.9E229 N425 A430 L431 S432E229-A428 HydrophobicContact CB-CB 3.94Å; E229-A428 HydrophobicContact CG-CB 4.23Å; N425-A428 HydrophobicContact CB-CB 4Å; N425-A428 VanDerWaalsContact CG-CB 3.49Å; N425-A428 PolarHBondContact O-N 3.28Å; N425-A428 VanDerWaalsContact O-N 3.16Å; N425-A428 PolarHBondContact OD1-N 3.23Å; A428-A430 PolarHBondContact O-N 3.47Å; A428-L431 PolarHBondContact O-N 3Å; A428-S432 PolarHBondContact O-N 3.22Å
429V92.5Very high89.7Confident16 Ų1642.4 Ų42.410%0.09723%0.234CC..Hα-helixtrans-64.6-39.4176175.90000111.8E228 I403 I424 N425 S432 A433E228-V429 HydrophobicContact CB-CG2 3.64Å; I403-V429 HydrophobicContact CD1-CG1 4.44Å; I403-V429 HydrophobicContact CG1-CG1 4.24Å; I424-V429 HydrophobicContact CG2-CG2 4.13Å; N425-V429 WeakPolarHBondContact O-CG2 3.41Å; N425-V429 PolarHBondContact O-N 3.28Å; V429-S432 PolarHBondContact O-N 3.34Å; V429-S432 PolarHBondContact O-OG 3.05Å; V429-A433 WeakPolarHBondContact O-CB 3.35Å; V429-A433 PolarHBondContact O-N 3.46Å
430A93.4Very high89.5Confident0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-64.5-45.1175.500000111.9I403 L426 Q427 A428 S432 A433 G434 L435 A438I403-A430 HydrophobicContact CD1-CB 4.01Å; L426-A430 VanDerWaalsContact O-CB 3.23Å; L426-A430 WeakPolarHBondContact O-CB 3.38Å; L426-A430 PolarHBondContact O-N 2.94Å; Q427-A430 PolarHBondContact O-N 3.41Å; A428-A430 PolarHBondContact O-N 3.47Å; A430-S432 VanDerWaalsContact C-N 3.32Å; A430-S432 PolarHBondContact O-N 3.49Å; A430-A433 PolarHBondContact O-N 2.91Å; A430-G434 PolarHBondContact O-N 3.47Å; A430-L435 HydrophobicContact CB-CB 4.19Å; A430-L435 HydrophobicContact CB-CD1 4.36Å; A430-L435 WeakPolarHBondContact O-CA 3.49Å; A430-L435 WeakPolarHBondContact O-CB 3.42Å; A430-L435 PolarHBondContact O-N 2.83Å; A430-A438 HydrophobicContact CB-CB 4.14Å
431L93.9Very high89.4Confident55 Ų5551 Ų5129%0.28826%0.263SS..Hα-helixtrans-60.8-41175.9-73.8171000111.8Q382 Q427 A428 G434 L435Q382-L431 VanDerWaalsContact CG-O 3.3Å; Q382-L431 WeakPolarHBondContact CG-O 3.48Å; Q382-L431 PolarHBondContact NE2-O 2.91Å; Q427-L431 HydrophobicContact CG-CD1 4.23Å; Q427-L431 WeakPolarHBondContact O-CB 3.06Å; Q427-L431 VanDerWaalsContact O-CG 3.23Å; Q427-L431 WeakPolarHBondContact O-CG 3.46Å; Q427-L431 PolarHBondContact O-N 2.97Å; A428-L431 PolarHBondContact O-N 3Å; L431-G434 PolarHBondContact O-N 3.15Å; L431-G434 VanDerWaalsContact O-N 3.17Å; L431-L435 WeakPolarHBondContact CA-O 3.27Å
432S92.1Very high89.1Confident5 Ų560.3 Ų60.34%0.03530%0.297CS..Hα-helixtrans-69.8-32.1179.177.50000113.3E229 L385 A428 V429 A430 G434E229-S432 WeakPolarHBondContact O-CB 3.44Å; E229-S432 PolarHBondContact O-OG 3.14Å; E229-S432 VanDerWaalsContact O-OG 3.11Å; L385-S432 WeakPolarHBondContact CD1-O 3.37Å; A428-S432 PolarHBondContact O-N 3.22Å; V429-S432 PolarHBondContact O-N 3.34Å; V429-S432 PolarHBondContact O-OG 3.05Å; A430-S432 VanDerWaalsContact C-N 3.32Å; A430-S432 PolarHBondContact O-N 3.49Å; S432-G434 PolarHBondContact O-N 3.29Å
433A92.2Very high88.7Confident3 Ų357.5 Ų57.53%0.02528%0.283CS..THydrogen-bonded Turntrans-74-5.2172.200000113.8L232 F259 I403 V429 A430L232-A433 HydrophobicContact CD1-CB 4.36Å; F259-A433 HydrophobicContact CE1-CB 4.02Å; F259-A433 HydrophobicContact CZ-CB 3.99Å; F259-A433 WeakPolarHBondContact CZ-O 3.37Å; I403-A433 HydrophobicContact CD1-CB 4Å; V429-A433 WeakPolarHBondContact O-CB 3.35Å; V429-A433 PolarHBondContact O-N 3.46Å; A430-A433 PolarHBondContact O-N 2.91Å
434G91.2Very high87.9Confident4 Ų453.1 Ų53.14%0.04127%0.265CS..THydrogen-bonded Turntrans93.58179.800000115Q386 A430 L431 S432Q386-G434 WeakPolarHBondContact CA-O 3.49Å; A430-G434 PolarHBondContact O-N 3.47Å; L431-G434 PolarHBondContact O-N 3.15Å; L431-G434 VanDerWaalsContact O-N 3.17Å; S432-G434 PolarHBondContact O-N 3.29Å
435L92.3Very high86.8Confident5 Ų557.1 Ų57.13%0.02628%0.284CS..  trans-84.6152173.8-57.7177.2000110.9K396 A399 Q400 I403 A430 L431K396-L435 HydrophobicContact CG-CD2 3.86Å; A399-L435 HydrophobicContact CB-CD1 4.28Å; A399-L435 HydrophobicContact CB-CD2 3.87Å; A399-L435 HydrophobicContact CB-CG 4.04Å; Q400-L435 HydrophobicContact CG-CD1 3.76Å; Q400-L435 HydrophobicContact CG-CD2 3.88Å; I403-L435 HydrophobicContact CD1-CD1 3.68Å; A430-L435 HydrophobicContact CB-CB 4.19Å; A430-L435 HydrophobicContact CB-CD1 4.36Å; A430-L435 WeakPolarHBondContact O-CA 3.49Å; A430-L435 WeakPolarHBondContact O-CB 3.42Å; A430-L435 PolarHBondContact O-N 2.83Å; L431-L435 WeakPolarHBondContact CA-O 3.27Å
436V88.2Confident85.5Confident129 Ų12960 Ų6078%0.78229%0.287SS*.SBendtrans-81.5-33.3175.7-177.70000111.4Q427Q427-V436 PolarHBondContact NE2-O 3.48Å
437C88.5Confident84.1Confident80 Ų8065.2 Ų65.254%0.54130%0.304SS..SBendtrans-135.6151.5-179.954.90000111
438A87.7Confident82.4Confident30 Ų3069 Ų6925%0.24832%0.322CS..PPolyproline II helixtrans-61.6136.4171.300000111.3L426 A430L426-A438 HydrophobicContact CB-CB 4.09Å; A430-A438 HydrophobicContact CB-CB 4.14Å
439P87Confident80.6Confident20 Ų2072.3 Ų72.313%0.1334%0.344CS..PPolyproline II helixtrans-66.6148.2172.828.6-33.3000110.6Q400 I403 V404Q400-P439 HydrophobicContact CB-CB 4.44Å; I403-P439 HydrophobicContact CB-CG 4.09Å; I403-P439 HydrophobicContact CG2-CG 3.95Å; V404-P439 HydrophobicContact CG2-CB 3.92Å; V404-P439 HydrophobicContact CG2-CG 3.89Å
440R83.4Confident78.1Confident222 Ų22279.9 Ų79.984%0.83838%0.376SS*.PPolyproline II helixtrans-69.5133.3175.7-67.3-173.8179.6176.5-0.9110.8
441I83.1Confident75.4Confident9 Ų984.9 Ų84.95%0.04641%0.408CS..  trans-119.587.6-178.2-54.3-177.5000109.3V404 V407 L426 F443 M444V404-I441 HydrophobicContact CG2-CG1 4.29Å; V407-I441 HydrophobicContact CB-CD1 3.88Å; V407-I441 HydrophobicContact CG1-CD1 3.88Å; V407-I441 HydrophobicContact CG2-CD1 3.84Å; L426-I441 HydrophobicContact CD1-CD1 4.08Å; L426-I441 HydrophobicContact CD2-CD1 3.91Å; I441-F443 HydrophobicContact CG2-CD1 3.48Å; I441-F443 VanDerWaalsContact CG2-CD1 3.48Å; I441-F443 HydrophobicContact CG2-CD2 4.46Å; I441-F443 HydrophobicContact CG2-CE1 3.09Å; I441-F443 HydrophobicContact CG2-CE2 4.15Å; I441-F443 HydrophobicContact CG2-CG 4.16Å; I441-F443 HydrophobicContact CG2-CZ 3.46Å; I441-F443 VanDerWaalsContact CG2-CZ 3.46Å; I441-F443 PolarHBondContact O-N 3.03Å; I441-M444 HydrophobicContact CB-CE 3.86Å; I441-M444 HydrophobicContact CD1-CE 3.69Å; I441-M444 HydrophobicContact CG1-CE 4.28Å; I441-M444 HydrophobicContact CG2-CE 3.91Å; I441-M444 HydrophobicContact CG2-CG 4.12Å; I441-M444 PolarHBondContact O-N 3.22Å; I441-M444 VanDerWaalsContact O-N 3.15Å
442R78.4Confident72.8Confident203 Ų20388 Ų8877%0.76644%0.442SS*.Hα-helixtrans-54.2-29.6-171.5-65.6-176.7179.9-179.3-0.7114.8
443F77.7Confident70.2Confident63 Ų6392.7 Ų92.728%0.27648%0.475SS..Hα-helixtrans-77.9-25.5-175.969.2-98.7000113.6V407 K408 F411 I441V407-F443 HydrophobicContact CG1-CZ 4.14Å; K408-F443 HydrophobicContact CB-CE1 3.92Å; K408-F443 HydrophobicContact CB-CZ 4.01Å; K408-F443 HydrophobicContact CG-CE1 4.24Å; K408-F443 HydrophobicContact CG-CZ 4.49Å; F411-F443 HydrophobicContact CB-CE2 3.84Å; F411-F443 HydrophobicContact CB-CZ 4.31Å; F411-F443 HydrophobicContact CD1-CD2 4.27Å; F411-F443 HydrophobicContact CD1-CE2 4.06Å; F411-F443 HydrophobicContact CD2-CD2 4.39Å; F411-F443 AromaticContact CD2-CE2 3.96Å; F411-F443 HydrophobicContact CD2-CE2 3.96Å; F411-F443 HydrophobicContact CE1-CD2 4.49Å; F411-F443 HydrophobicContact CG-CD2 4.23Å; F411-F443 AromaticContact CG-CE2 3.66Å; F411-F443 HydrophobicContact CG-CE2 3.66Å; I441-F443 HydrophobicContact CG2-CD1 3.48Å; I441-F443 VanDerWaalsContact CG2-CD1 3.48Å; I441-F443 HydrophobicContact CG2-CD2 4.46Å; I441-F443 HydrophobicContact CG2-CE1 3.09Å; I441-F443 HydrophobicContact CG2-CE2 4.15Å; I441-F443 HydrophobicContact CG2-CG 4.16Å; I441-F443 HydrophobicContact CG2-CZ 3.46Å; I441-F443 VanDerWaalsContact CG2-CZ 3.46Å; I441-F443 PolarHBondContact O-N 3.03Å
444M70.7Confident67.4Low30 Ų3097.9 Ų97.915%0.14851%0.511CS..Hα-helixtrans-77.2-37.7176.2-67.7-161.8-64.300111.4V407 A421 L426 I441 R446 R447 Q448V407-M444 HydrophobicContact CG1-CE 3.72Å; V407-M444 HydrophobicContact CG1-SD 3.76Å; A421-M444 HydrophobicContact CB-SD 4.42Å; L426-M444 HydrophobicContact CD1-CE 3.59Å; L426-M444 HydrophobicContact CD2-CE 4.43Å; I441-M444 HydrophobicContact CB-CE 3.86Å; I441-M444 HydrophobicContact CD1-CE 3.69Å; I441-M444 HydrophobicContact CG1-CE 4.28Å; I441-M444 HydrophobicContact CG2-CE 3.91Å; I441-M444 HydrophobicContact CG2-CG 4.12Å; I441-M444 PolarHBondContact O-N 3.22Å; I441-M444 VanDerWaalsContact O-N 3.15Å; M444-R446 VanDerWaalsContact C-N 3.29Å; M444-R446 PolarHBondContact O-N 2.91Å; M444-R447 PolarHBondContact O-N 2.97Å; M444-R447 VanDerWaalsContact O-N 3.11Å; M444-Q448 PolarHBondContact O-N 3.32Å
445E65.2Low64.6Low101 Ų101107 Ų10747%0.47255%0.553SS.*Hα-helixtrans-59-38.9177.9-66.6171.4177.500112.2R447 Q448 S449E445-R447 PolarHBondContact O-N 3.16Å; E445-Q448 PolarHBondContact O-N 3.03Å; E445-S449 PolarHBondContact O-N 3.16Å; E445-S449 VanDerWaalsContact O-N 3.15Å; E445-S449 PolarHBondContact O-OG 2.85Å
446R62.6Low61.6Low149 Ų149112.3 Ų112.356%0.56259%0.59SS**Hα-helixtrans-64.8-20.2178.8-74.1-177.3178.4179.3-2.2114.4M444 S449 F468M444-R446 VanDerWaalsContact C-N 3.29Å; M444-R446 PolarHBondContact O-N 2.91Å; R446-S449 PolarHBondContact O-OG 3.19Å; R446-F468 VanDerWaalsContact NH1-CE2 3.29Å
447R60.6Low59Low152 Ų152110.5 Ų110.557%0.57459%0.589SS**Hα-helixtrans-88.8-35.9179-158.9178.5177.1174.3-1.4111.1M444 E445 S449 K450M444-R447 PolarHBondContact O-N 2.97Å; M444-R447 VanDerWaalsContact O-N 3.11Å; E445-R447 PolarHBondContact O-N 3.16Å; R447-S449 PolarHBondContact O-N 2.93Å; R447-K450 PolarHBondContact O-N 3.46Å
448Q57.3Low56.4Low155 Ų155111.9 Ų111.972%0.72460%0.599SS**Hα-helixtrans-67.5-24.7173-66.2-179.7-4.100112.4M444 E445M444-Q448 PolarHBondContact O-N 3.32Å; E445-Q448 PolarHBondContact O-N 3.03Å
449S54.7Low53.5Low88 Ų88117.8 Ų117.862%0.61563%0.627SS**THydrogen-bonded Turntrans-87.4-4.1177.7650000115.7E445 R446 R447 P451E445-S449 PolarHBondContact O-N 3.16Å; E445-S449 VanDerWaalsContact O-N 3.15Å; E445-S449 PolarHBondContact O-OG 2.85Å; R446-S449 PolarHBondContact O-OG 3.19Å; R447-S449 PolarHBondContact O-N 2.93Å; S449-P451 WeakPolarHBondContact O-CD 3.35Å
450K40.2Very low50.9Low174 Ų174124.7 Ų124.776%0.75766%0.663SS**SBendtrans-89.9113.9172.7-90.8-170.9173.2-172.40110.4R447R447-K450 PolarHBondContact O-N 3.46Å
451P36.1Very low48.4Very low105 Ų105120.6 Ų120.668%0.68266%0.662SS**  trans-72.5142.5172.967.8000110.8S449 S453S449-P451 WeakPolarHBondContact O-CD 3.35Å; P451-S453 PolarHBondContact O-N 3.48Å
452A39.5Very low45.8Very low120 Ų120129.2 Ų129.299%0.99270%0.702SS**SBendtrans-66.646.1-176.600000115.8
453S38.8Very low43.5Very low104 Ų104125.6 Ų125.673%0.72771%0.708SS**  trans-120.727-168.657.70000115.9P451P451-S453 PolarHBondContact O-N 3.48Å
454S33.4Very low41Very low112 Ų112127.7 Ų127.778%0.78373%0.73SS**  trans-138.161175.171.10000113
455E32Very low39.1Very low196 Ų196132.4 Ų132.492%0.91676%0.761SS**  trans-105.577.2157.6-77.1-174.7165.600108
456S29.5Very low37.3Very low117 Ų117132.8 Ų132.882%0.81878%0.775SS**  trans17376.6163.532.80000110.8
457A33.4Very low36Very low91 Ų91132.2 Ų132.275%0.75278%0.776SS**  trans-163.6100.615400000109.5
458S32.1Very low34.6Very low108 Ų108130.8 Ų130.876%0.75578%0.775SS**  trans36.7115.5138.954.70000119.4D460S458-D460 PolarHBondContact O-N 3.32Å
459N28.6Very low33.3Very low155 Ų155126.7 Ų126.783%0.82978%0.775SS**  trans-23113.7146.1-66.8-27000114.2
460D30.7Very low31.9Very low165 Ų165131.5 Ų131.588%0.88279%0.787SS**  trans-147.1113.7141.6-97-32.7000108.3S458S458-D460 PolarHBondContact O-N 3.32Å
461V31.1Very low31.3Very low136 Ų136131.5 Ų131.582%0.82479%0.79SS**  trans-91.7106.9-174.9174.30000108.6
462Q30.2Very low30.9Very low190 Ų190135.3 Ų135.389%0.88880%0.799SS**  trans-157.398.6151.6-105.3171.424.700108.2S464Q462-S464 PolarHBondContact O-N 3.09Å; Q462-S464 VanDerWaalsContact O-N 3.14Å
463S28.5Very low30.2Very low127 Ų127134.4 Ų134.489%0.88879%0.791SS**  trans-78.596-177.961.90000111.2
464S25.9Very low29.8Very low107 Ų107135.7 Ų135.775%0.74879%0.794SS**  trans-126.3102.5159.762.60000109.2Q462Q462-S464 PolarHBondContact O-N 3.09Å; Q462-S464 VanDerWaalsContact O-N 3.14Å
465T31.4Very low29.4Very low128 Ų128138.2 Ų138.279%0.78580%0.799SS**  trans-126.985.9169.444.30000110.3F467T465-F467 PolarHBondContact O-N 3.21Å
466S26.5Very low29.3Very low110 Ų110133.6 Ų133.677%0.76978%0.78SS**  trans-65.3106.8152.954.10000108.7
467F34.7Very low29.4Very low136 Ų136135.8 Ų135.860%0.59678%0.783SS**  trans-120.1113.5-179.3-149.2-139.2000111.8T465 K484T465-F467 PolarHBondContact O-N 3.21Å; F467-K484 WeakPolarHBondContact O-CE 3.18Å; F467-K484 PolarHBondContact O-NZ 2.75Å
468F32.7Very low29.5Very low122 Ų122135.6 Ų135.654%0.53577%0.769SS.*  trans82.2124.4168.3-58.7-63.8000120.6R446 K484R446-F468 VanDerWaalsContact NH1-CE2 3.29Å; F468-K484 PolarHBondContact O-NZ 3.24Å
469G28.4Very low29.3Very low70 Ų70135.6 Ų135.672%0.72277%0.769SS**  trans-117.4166.2156.100000111.2
470Q25.7Very low29.6Very low188 Ų188134 Ų13488%0.87976%0.761SS**  trans56.1141.6160.3-84.1173.8-16.200121.6
471E27.8Very low29.7Very low175 Ų175130.4 Ų130.482%0.81874%0.742SS**  trans84.2119.8169.1-65.7168.4-166.100115.9
472E28.9Very low29.7Very low185 Ų185132 Ų13286%0.86474%0.738SS**  cis-158.7157.726-107.8172.8176.600110.1
473A25Very low29.7Very low100 Ų100130.1 Ų130.183%0.82673%0.733SS**  trans-70.5126.4-169.800000115.1
474V28.8Very low29.5Very low131 Ų131130.1 Ų130.179%0.79472%0.717SS**  trans-146.8126.7146.8-176.70000105.4D476V474-D476 PolarHBondContact O-N 2.93Å
475D25.4Very low29.5Very low165 Ų165130.2 Ų130.288%0.88271%0.713SS**  trans-37.7102.2-176.6-63.2-45.6000113.7
476D30.6Very low29.2Very low99 Ų99132.4 Ų132.453%0.52971%0.711SS.*  trans-132.683.8172-107.1-18.3000107.9R401 V474 D478R401-D476 IonicContact NH1-OD1 2.74Å; R401-D476 PolarHBondContact NH1-OD1 3.41Å; V474-D476 PolarHBondContact O-N 2.93Å; D476-D478 PolarHBondContact O-N 2.98Å
477D31.1Very low29.1Very low164 Ų164133 Ų13388%0.87772%0.715SS**  trans-71.278.8158.4-141.29.6000106.8
478D34.5Very low28.7Very low87 Ų87137.1 Ų137.147%0.46573%0.726SS.*  trans177.457.4166.9-87.2-31.4000109.8R258 D476 D480R258-D478 IonicContact NH1-OD2 3.87Å; D476-D478 PolarHBondContact O-N 2.98Å; D478-D480 PolarHBondContact O-N 3.04Å
479S29.1Very low28.5Very low108 Ų108137.1 Ų137.176%0.75573%0.731SS**  trans-83.596.7167.163.90000110.5
480D33.9Very low28.7Very low120 Ų120138.4 Ų138.464%0.64273%0.725SS**  trans-17476.5146.7-99-8.5000110.3R122 D478R122-D480 IonicContact CZ-OD2 2.84Å; R122-D480 IonicContact NH2-OD1 2.69Å; R122-D480 IonicContact NH2-OD2 2.75Å; R122-D480 PolarHBondContact NH2-OD2 2.9Å; D478-D480 PolarHBondContact O-N 3.04Å
481D34.5Very low29Very low91 Ų91135.9 Ų135.949%0.48771%0.712SS.*  trans-89116.2156.7-108.86.4000107.2K408K408-D481 IonicContact NZ-OD2 3.39Å; K408-D481 PolarHBondContact NZ-OD2 3.35Å
482F30.3Very low29.3Very low168 Ų168129 Ų12974%0.73769%0.688SS**SBendtrans8.1131.3162.8-86-102.1000120.5
483L29.6Very low29.4Very low151 Ų151127.7 Ų127.779%0.79168%0.682SS**  trans70.383.8151.4-66.3160000118.2
484K25.1Very low29.7Very low128 Ų128127.8 Ų127.856%0.55767%0.668SS**  trans-130.9107.2135.1-92.8-180-178.6168.40108.4F467 F468 K486F467-K484 WeakPolarHBondContact O-CE 3.18Å; F467-K484 PolarHBondContact O-NZ 2.75Å; F468-K484 PolarHBondContact O-NZ 3.24Å; K484-K486 VanDerWaalsContact C-N 3.31Å; K484-K486 PolarHBondContact O-N 3.1Å
485V25.9Very low29.9Very low108 Ų108124.9 Ų124.966%0.65566%0.657SS**  trans-66.896.6159.9178.40000106.1
486K24.3Very low30.3Very low174 Ų174121.4 Ų121.476%0.75764%0.642SS**  trans-96.3107.7154.9-102-175.3173.2-178.80105.2K484 R488K484-K486 VanDerWaalsContact C-N 3.31Å; K484-K486 PolarHBondContact O-N 3.1Å; K486-R488 PolarHBondContact O-N 3.21Å
487C25.9Very low30.3Very low124 Ų124123.6 Ų123.684%0.83865%0.653SS**  trans-50.7105.4161.5-80.20000108
488R26Very low30.4Very low222 Ų222120.5 Ų120.584%0.83864%0.644SS**  trans-116.8116.5149-88.7-175.1171172.1-4104.6K486 V490K486-R488 PolarHBondContact O-N 3.21Å; R488-V490 VanDerWaalsContact C-N 3.32Å; R488-V490 WeakPolarHBondContact O-CG2 3.37Å; R488-V490 PolarHBondContact O-N 2.96Å
489D28.8Very low30.3Very low121 Ų121126.7 Ų126.765%0.64766%0.66SS**  trans-66.892.5175.3-171.51.7000108.1F491 G492D489-F491 PolarHBondContact OD1-N 3.18Å; D489-G492 PolarHBondContact OD1-N 3.12Å
490V31.9Very low30.5Very low97 Ų97128.6 Ų128.659%0.58866%0.662SS**SBendtrans-81.9-4.8179.9-175.80000111.1R488R488-V490 VanDerWaalsContact C-N 3.32Å; R488-V490 WeakPolarHBondContact O-CG2 3.37Å; R488-V490 PolarHBondContact O-N 2.96Å
491F32.5Very low30.1Very low136 Ų136126.8 Ų126.860%0.59667%0.671SS**SBendtrans-109.8-12.9176-70.1-77.6000113.8D489 Q493D489-F491 PolarHBondContact OD1-N 3.18Å; F491-Q493 VanDerWaalsContact C-N 3.31Å; F491-Q493 PolarHBondContact O-N 3.48Å
492G33.5Very low30Very low31 Ų31128.9 Ų128.932%0.3269%0.687SS.*THydrogen-bonded Turntrans-69.5-15.1173.700000116.3D489D489-G492 PolarHBondContact OD1-N 3.12Å
493Q31.3Very low29.8Very low157 Ų157129.5 Ų129.573%0.73469%0.692SS**THydrogen-bonded Turntrans-93-13179.8-72.2-175-11.900114.4F491F491-Q493 VanDerWaalsContact C-N 3.31Å; F491-Q493 PolarHBondContact O-N 3.48Å
494L31.1Very low29.8Very low102 Ų102128.4 Ų128.453%0.53469%0.692SS.*THydrogen-bonded Turntrans-82.2-12.1174.8-94.1119000113.7
495A32.2Very low30Very low69 Ų69131.4 Ų131.457%0.5771%0.708SS**THydrogen-bonded Turntrans-85.2-4.1173.500000114.1
496V33.3Very low29.9Very low92 Ų92134.6 Ų134.656%0.55872%0.716SS**THydrogen-bonded Turntrans-101.8-19.3-179.5-178.70000112.3
497L31.3Very low30.2Very low146 Ų146133.1 Ų133.176%0.76472%0.721SS**THydrogen-bonded Turntrans-87.7-3.4-176.6-69.1170000114.7
498S32.9Very low30.2Very low98 Ų98133.9 Ų133.969%0.68572%0.717SS**THydrogen-bonded Turntrans-92.54174.458.80000114.2
499R33.4Very low30.4Very low217 Ų217131.5 Ų131.582%0.81972%0.721SS**SBendtrans-122.42.2-174.1-71.8-172.7-176.8178.82.4116.2
500L32.2Very low30.2Very low149 Ų149134.9 Ų134.978%0.7873%0.733SS**  trans-133.384.8179.9-72.3166000109.8V502L500-V502 PolarHBondContact O-N 3.43Å
501G26.6Very low30.1Very low81 Ų81135.3 Ų135.384%0.83574%0.74SS**  trans-77.5108.4161.500000109.1
502V32.3Very low29.8Very low136 Ų136133.7 Ų133.782%0.82475%0.745SS**  trans-153.2130.1155163.80000107.9L500L500-V502 PolarHBondContact O-N 3.43Å
503Q24.9Very low29.6Very low181 Ų181139.5 Ų139.585%0.84677%0.769SS**  trans-63.6139.8171.4-63.2165.3-42.900110.7
504T30.5Very low29.5Very low127 Ų127139.1 Ų139.178%0.77977%0.772SS**  trans-165.8109140.436.20000110.4
505E29.5Very low29.6Very low192 Ų192139.5 Ų139.590%0.89778%0.779SS**  54.7127129.6-65.5-179167.600121.6
506E24.3Very low29.5Very low175 Ų175141.6 Ų141.682%0.81878%0.78SS**  trans-59.2135.1172.9-66.2161.1155.700112.6
507T29.9Very low29.7Very low143 Ų143140.5 Ų140.588%0.87777%0.77SS**  trans-139.8116.1140.547.30000108.5
508D25.6Very low29.8Very low140 Ų140138.2 Ų138.275%0.74977%0.767SS**  trans-58.2136.9178.9-60.2-52.8000113
509N29.3Very low30.1Very low171 Ų171140.5 Ų140.591%0.91476%0.761SS**  trans-149.6108.3144.7-104.6-25000108.6
510E26.4Very low29.9Very low192 Ų192135.9 Ų135.990%0.89775%0.752SS**  trans-64127.7177.4-63.6173140.400111.7
511S29.1Very low29.8Very low106 Ų106132.9 Ų132.974%0.74174%0.741SS**  trans-158.796.5141.164.20000108.3D513S511-D513 PolarHBondContact O-N 2.91Å
512S27Very low30.1Very low102 Ų102132.7 Ų132.771%0.71372%0.721SS**  trans-73.1103174.153.90000110.6D514S512-D514 PolarHBondContact O-N 3.44Å
513D28Very low30.3Very low153 Ų153130 Ų13082%0.81871%0.706SS**  trans-9381.7162.9-75.8-23.3000108.8S511 V515S511-D513 PolarHBondContact O-N 2.91Å; D513-V515 PolarHBondContact O-N 3.44Å
514D29.1Very low30.7Very low149 Ų149127.1 Ų127.180%0.79770%0.697SS**  trans-64.7126169.5-79.3-37.2000110S512 D516S512-D514 PolarHBondContact O-N 3.44Å; D514-D516 PolarHBondContact O-N 2.95Å
515V32.7Very low31.1Very low111 Ų111128.7 Ų128.767%0.67369%0.693SS**  trans-71.6109.9177.3177.20000108.8D513 I517D513-V515 PolarHBondContact O-N 3.44Å; V515-I517 WeakPolarHBondContact O-CG1 3.36Å; V515-I517 PolarHBondContact O-N 2.89Å
516D31.9Very low31.4Very low112 Ų112125.6 Ų125.660%0.59968%0.682SS**  trans-65.5109.7176.1-178.711.1000111.9D514 S518 W519D514-D516 PolarHBondContact O-N 2.95Å; D516-S518 WeakPolarHBondContact OD1-CB 3.36Å; D516-S518 PolarHBondContact OD1-N 3.48Å; D516-S518 PolarHBondContact OD1-OG 3.45Å; D516-S518 PolarHBondContact OD2-OG 2.89Å; D516-W519 PolarHBondContact O-NE1 2.97Å
517I36.1Very low31.8Very low69 Ų69125.1 Ų125.135%0.35468%0.68SS.*  trans-1059.2178.7-26.5-176.6000112.1V515 W519 L520V515-I517 WeakPolarHBondContact O-CG1 3.36Å; V515-I517 PolarHBondContact O-N 2.89Å; I517-W519 PolarHBondContact O-N 3.33Å; I517-L520 HydrophobicContact CG2-CD1 3.41Å; I517-L520 VanDerWaalsContact CG2-CD1 3.41Å; I517-L520 HydrophobicContact CG2-CG 4.04Å; I517-L520 PolarHBondContact O-N 3.48Å
518S34.2Very low31.9Very low99 Ų99122.4 Ų122.469%0.69267%0.672SS**THydrogen-bonded Turntrans-62.6-14-176.165.20000115.7D516D516-S518 WeakPolarHBondContact OD1-CB 3.36Å; D516-S518 PolarHBondContact OD1-N 3.48Å; D516-S518 PolarHBondContact OD1-OG 3.45Å; D516-S518 PolarHBondContact OD2-OG 2.89Å
519W37.9Very low32.2Very low145 Ų145122.1 Ų122.155%0.54967%0.674SS.*THydrogen-bonded Turntrans-83.7-617864.9-37.7000116.1K283 D516 I517K283-W519 HydrophobicContact CB-CE3 4.48Å; K283-W519 HydrophobicContact CB-CH2 4.2Å; K283-W519 HydrophobicContact CB-CZ3 3.59Å; K283-W519 HydrophobicContact CD-CE3 3.68Å; K283-W519 HydrophobicContact CD-CZ3 3.61Å; K283-W519 HydrophobicContact CG-CE3 3.93Å; K283-W519 HydrophobicContact CG-CZ3 3.52Å; D516-W519 PolarHBondContact O-NE1 2.97Å; I517-W519 PolarHBondContact O-N 3.33Å
520L30.7Very low32.4Very low120 Ų120119.8 Ų119.863%0.62867%0.666SS**SBendtrans-70.9132.9169.9-79171000109.5I517 D522I517-L520 HydrophobicContact CG2-CD1 3.41Å; I517-L520 VanDerWaalsContact CG2-CD1 3.41Å; I517-L520 HydrophobicContact CG2-CG 4.04Å; I517-L520 PolarHBondContact O-N 3.48Å; L520-D522 PolarHBondContact O-N 2.89Å; L520-D522 VanDerWaalsContact O-N 3.08Å
521P29.7Very low32.5Very low87 Ų87118.6 Ų118.657%0.56567%0.667SS**  trans-63.1117.5174.123.3-29.4000109.4
522D33.8Very low32.6Very low77 Ų77122.4 Ų122.441%0.41267%0.673SS.*  trans-48.6114.3176.7-147.3-10.5000109.7L520 D524 K525L520-D522 PolarHBondContact O-N 2.89Å; L520-D522 VanDerWaalsContact O-N 3.08Å; D522-D524 PolarHBondContact O-N 2.73Å; D522-K525 HydrophobicContact CB-CB 4.26Å; D522-K525 HydrophobicContact CB-CD 3.95Å; D522-K525 HydrophobicContact CB-CG 4.02Å; D522-K525 PolarHBondContact O-N 3.37Å; D522-K525 WeakPolarHBondContact OD2-CE 3.37Å; D522-K525 IonicContact OD2-NZ 2.97Å
523P34.6Very low32.8Very low79 Ų79126.6 Ų126.651%0.51368%0.681SS.*G310 helixtrans-60-22.2-173.421.2-30.4000113
524D35.1Very low33Very low120 Ų120127.2 Ų127.264%0.64268%0.684SS**G310 helixtrans-84.2-16.3-179.7-63.5-25.5000113.5D522 L526D522-D524 PolarHBondContact O-N 2.73Å; D524-L526 VanDerWaalsContact C-N 3.26Å; D524-L526 PolarHBondContact O-N 3.46Å
525K38.7Very low33.1Very low160 Ų160127.9 Ų127.970%0.69669%0.688SS**G310 helixtrans-81.70176.8-71.9-178.3-176.1165.40114.2D522D522-K525 HydrophobicContact CB-CB 4.26Å; D522-K525 HydrophobicContact CB-CD 3.95Å; D522-K525 HydrophobicContact CB-CG 4.02Å; D522-K525 PolarHBondContact O-N 3.37Å; D522-K525 WeakPolarHBondContact OD2-CE 3.37Å; D522-K525 IonicContact OD2-NZ 2.97Å
526L34.5Very low33.2Very low128 Ų128129.3 Ų129.367%0.6770%0.696SS**G310 helixtrans-99.13175.4-81.6159.8000113.9D524D524-L526 VanDerWaalsContact C-N 3.26Å; D524-L526 PolarHBondContact O-N 3.46Å
527Q33.6Very low33.3Very low165 Ų165129.2 Ų129.277%0.77171%0.705SS**SBendtrans-105.84.4178.5-70.5-169-7.700115
528A31.7Very low33.5Very low86 Ų86135.7 Ų135.771%0.71173%0.733SS**SBendtrans-110.718.9-169.700000116.4
529V33Very low33.5Very low133 Ų133135.7 Ų135.781%0.80674%0.74SS**SBendtrans-122.221.7-176.5-167.20000113.5
530T32.3Very low33.4Very low122 Ų122142.2 Ų142.275%0.74877%0.772SS**  trans-139.876.8174.452.60000109.8
531N29.7Very low33.5Very low168 Ų168143.3 Ų143.390%0.89878%0.779SS**  trans-163.753.7167.7-95.3-13.9000110.2
532E31Very low33.7Very low186 Ų186146.3 Ų146.387%0.86979%0.79SS**  trans-149.188.3166.9-83.2-170.4160.900108
533Q30.7Very low33.7Very low189 Ų189150.1 Ų150.188%0.88381%0.811SS**  trans161.985.1155.8-91.8165.317.800108.7
534D32.7Very low33.6Very low166 Ų166154.3 Ų154.389%0.88883%0.829SS**  trans-163.885.4155.1-90.7-28.9000107.2
535N31.2Very low33.6Very low164 Ų164156.4 Ų156.488%0.87784%0.84SS**  trans-155.656.8176.1-118.8-11.2000110.7
536V35.2Very low33.2Very low140 Ų140156.2 Ų156.285%0.84885%0.85SS**  trans-151.5131.5159.7-173.30000109.3
537S33.2Very low33.1Very low111 Ų111158.2 Ų158.278%0.77686%0.863SS**  trans86.990.6165.972.60000118.7
538E40.3Very low33.1Very low204 Ų204157.7 Ų157.795%0.95387%0.87SS**  -146.9120.2125.3-115.2175.6-174.400109.6
539A33.4Very low33.2Very low100 Ų100163.7 Ų163.783%0.82688%0.883SS**  trans-100.6101.9170.700000107.8
540K35.9Very low33.2Very low281 Ų281166.5 Ų166.5100%1.22289%0.89SS**  trans178.10140-105-179-179.8-178.80110.9

Retrieved 540 of 540 residues in 3286.8 ms (Link to these results)

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