A0A077ZAF2_TRITR Loading...

P-type Cu(+) transporter

AlphaFold DB , UniProt , Accession A0A077ZAF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,256 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.4Very low79.3Confident201 Ų20164.3 Ų64.399%0.9930%0.3SS*.  0121.50-81.6177.1168.300107.2T3M1-T3 PolarHBondContact O-N 2.76Å
2K56.6Low79.4Confident148 Ų14861.8 Ų61.864%0.64331%0.305SS*.  trans-67.7124.9-172.5-62.7-177.2178.6-175.10110.7M50K2-M50 HydrophobicContact CB-CB 4.27Å; K2-M50 HydrophobicContact CB-CG 3.7Å; K2-M50 WeakPolarHBondContact O-CB 3.27Å; K2-M50 WeakPolarHBondContact O-CG 3.39Å; K2-M50 PolarHBondContact O-N 2.7Å; K2-M50 VanDerWaalsContact O-N 3.17Å
3T67.5Low79.9Confident18 Ų1857.1 Ų57.111%0.1128%0.281CS..EExtended strand (participates in β ladder)trans-98.4150.8177.430.40000110.3M1 E77M1-T3 PolarHBondContact O-N 2.76Å; T3-E77 PolarHBondContact OG1-OE2 3.21Å
4K80.4Confident80Confident61 Ų6161.3 Ų61.327%0.26531%0.305SS..EExtended strand (participates in β ladder)trans-126.4125.5170.4-170.2-174.2-171.1-145.80107.9M6 C48 M50 T74 K75K4-M6 HydrophobicContact CD-CE 4.28Å; K4-C48 PolarHBondContact N-O 2.96Å; K4-C48 PolarHBondContact O-N 2.65Å; K4-M50 HydrophobicContact CB-CG 4.42Å; K4-M50 HydrophobicContact CB-SD 3.81Å; K4-M50 HydrophobicContact CD-SD 4.28Å; K4-M50 HydrophobicContact CG-SD 4.34Å; K4-T74 HydrophobicContact CD-CG2 3.99Å; K4-T74 HydrophobicContact CG-CG2 3.96Å; K4-K75 CarbonylContact C-O 3.55Å; K4-K75 WeakPolarHBondContact CA-O 3.46Å; K4-K75 WeakPolarHBondContact CG-O 3.45Å
5E84Confident80.2Confident60 Ų6060.1 Ų60.128%0.2830%0.304SS..EExtended strand (participates in β ladder)trans-92129.8173.5-75.4-175.5162.200110.1E47 T74 K75E5-E47 HydrophobicContact CG-CG 3.92Å; E5-T74 WeakPolarHBondContact O-CG2 3.33Å; E5-K75 HydrophobicContact CB-CB 4.23Å; E5-K75 PolarHBondContact N-O 2.79Å; E5-K75 PolarHBondContact O-N 2.81Å
6M87.4Confident80.3Confident2 Ų265.8 Ų65.81%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-120.4123.8174.1-42.3-154.3-141.300110.1K4 V46 C48 Q53 L58 L71 E73 T74K4-M6 HydrophobicContact CD-CE 4.28Å; M6-V46 PolarHBondContact N-O 3.36Å; M6-V46 PolarHBondContact O-N 2.92Å; M6-C48 HydrophobicContact CE-CB 4.05Å; M6-Q53 WeakPolarHBondContact CE-O 3.46Å; M6-L58 HydrophobicContact CB-CD1 4.13Å; M6-L58 HydrophobicContact CE-CD1 3.95Å; M6-L58 HydrophobicContact CG-CD1 4.19Å; M6-L58 HydrophobicContact SD-CD1 3.74Å; M6-L71 HydrophobicContact CB-CD1 3.99Å; M6-E73 WeakPolarHBondContact CA-O 3.27Å; M6-T74 HydrophobicContact CB-CG2 3.9Å; M6-T74 HydrophobicContact CG-CG2 3.42Å; M6-T74 VanDerWaalsContact CG-CG2 3.42Å; M6-T74 HydrophobicContact SD-CG2 3.94Å
7R90.6Very high80.5Confident78 Ų7867.1 Ų67.129%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-97.6123.4175.1-166.2174.9-172.6176.91.2109.9E41 V44 I45 I72 E73R7-E41 IonicContact CZ-OE2 2.79Å; R7-E41 IonicContact NH2-OE1 3.71Å; R7-E41 IonicContact NH2-OE2 2.6Å; R7-E41 PolarHBondContact NH2-OE2 3.19Å; R7-V44 WeakPolarHBondContact CA-O 3.37Å; R7-I45 HydrophobicContact CG-CG1 4.04Å; R7-I72 HydrophobicContact CB-CB 4.38Å; R7-I72 HydrophobicContact CG-CB 4.44Å; R7-I72 HydrophobicContact CG-CD1 4.04Å; R7-I72 PolarHBondContact O-N 2.67Å; R7-E73 HydrophobicContact CB-CB 4.36Å; R7-E73 PolarHBondContact N-O 3Å; R7-E73 PolarHBondContact O-N 2.88Å
8L90.4Very high80.7Confident0 Ų064.7 Ų64.70%034%0.336CS..EExtended strand (participates in β ladder)trans-110.3134.5177.8-64.7150.4000109.1V10 S43 V44 V46 L58 I59 Q70 L71L8-V10 HydrophobicContact CB-CG2 4.41Å; L8-S43 CarbonylContact O-C 3.56Å; L8-S43 VanDerWaalsContact O-CA 3.24Å; L8-S43 WeakPolarHBondContact O-CA 3.47Å; L8-V44 PolarHBondContact N-O 3.45Å; L8-V44 PolarHBondContact O-N 2.73Å; L8-V46 HydrophobicContact CD1-CG2 3.75Å; L8-L58 HydrophobicContact CD1-CB 3.96Å; L8-L58 HydrophobicContact CD1-CD1 4.35Å; L8-L58 HydrophobicContact CD2-CB 4.43Å; L8-I59 HydrophobicContact CD2-CG1 3.78Å; L8-Q70 CarbonylContact C-O 3.53Å; L8-Q70 WeakPolarHBondContact CA-O 3.24Å; L8-L71 HydrophobicContact CD2-CD1 4.25Å
9H92.2Very high81Confident58 Ų5861.4 Ų61.427%0.26932%0.32SS..EExtended strand (participates in β ladder)trans-84.8133.8161.4-169.342.6000108.3D11 Q42 A69 Q70 I72H9-D11 IonicContact NE2-OD1 3.23Å; H9-Q42 CarbonylContact C-O 3.6Å; H9-Q42 WeakPolarHBondContact CA-O 2.89Å; H9-Q42 PolarHBondContact ND1-O 3.17Å; H9-A69 CarbonylContact O-C 3.47Å; H9-A69 WeakPolarHBondContact O-CA 3.39Å; H9-Q70 PolarHBondContact N-O 2.86Å; H9-Q70 PolarHBondContact O-N 2.86Å; H9-I72 HydrophobicContact CB-CD1 3.72Å; H9-I72 HydrophobicContact CB-CG1 3.89Å
10V90.7Very high81.4Confident0 Ų065.6 Ų65.60%034%0.335CS..EExtended strand (participates in β ladder)trans-127.5100.8-178-175.40000109.6L8 M13 V22 Q42 V44 V62 F67 L68 A69L8-V10 HydrophobicContact CB-CG2 4.41Å; V10-M13 HydrophobicContact CB-CB 4.43Å; V10-M13 HydrophobicContact CG1-CB 4.23Å; V10-V22 HydrophobicContact CG1-CG2 4.21Å; V10-V22 HydrophobicContact CG2-CG1 4.48Å; V10-Q42 PolarHBondContact N-O 3.25Å; V10-V44 HydrophobicContact CG2-CB 4.4Å; V10-V44 HydrophobicContact CG2-CG2 3.77Å; V10-V62 HydrophobicContact CG1-CG1 3.62Å; V10-V62 HydrophobicContact CG2-CG1 4.1Å; V10-F67 HydrophobicContact CG1-CB 3.56Å; V10-F67 HydrophobicContact CG1-CD1 4.49Å; V10-F67 HydrophobicContact CG1-CG 4.08Å; V10-L68 CarbonylContact C-O 3.54Å; V10-L68 WeakPolarHBondContact CA-O 3.39Å; V10-A69 HydrophobicContact CG2-CB 4.36Å
11D85.2Confident81.7Confident81 Ų8164.4 Ų64.443%0.43334%0.335SS..EExtended strand (participates in β ladder)trans-66.9130179.1-98-33.6000110.8H9 F67 L68H9-D11 IonicContact NE2-OD1 3.23Å; D11-F67 WeakPolarHBondContact O-CD1 3.44Å; D11-L68 HydrophobicContact CB-CB 4.01Å; D11-L68 PolarHBondContact N-O 2.9Å
12G80.7Confident83.7Confident35 Ų3554.8 Ų54.836%0.36129%0.288SS..THydrogen-bonded Turntrans94.2-1.1178.400000115.4N14 F67G12-N14 VanDerWaalsContact C-N 3.3Å; G12-N14 PolarHBondContact O-N 3.03Å; G12-F67 WeakPolarHBondContact O-CE1 3.42Å
13M85.4Confident85.4Confident0 Ų049.9 Ų49.90%027%0.267CS..  trans-78.572.3177.1-169.618066.200112.1V10 C18 V22 V37 N38 V44V10-M13 HydrophobicContact CB-CB 4.43Å; V10-M13 HydrophobicContact CG1-CB 4.23Å; M13-C18 HydrophobicContact CG-CB 4.21Å; M13-V22 HydrophobicContact SD-CB 4.4Å; M13-V22 HydrophobicContact SD-CG2 4.37Å; M13-V37 HydrophobicContact CE-CG1 3.6Å; M13-V37 HydrophobicContact SD-CG1 3.39Å; M13-V37 WeakPolarHBondContact SD-CG1 3.4Å; M13-N38 WeakPolarHBondContact CE-O 3.48Å; M13-V44 HydrophobicContact CE-CG2 3.93Å; M13-V44 HydrophobicContact SD-CG2 3.9Å
14N82.1Confident86.4Confident116 Ų11651.4 Ų51.462%0.6228%0.281SS*.  trans-100.6-0.1-171.7-64.9-10.5000114.6G12 Q42G12-N14 VanDerWaalsContact C-N 3.3Å; G12-N14 PolarHBondContact O-N 3.03Å; N14-Q42 PolarHBondContact OD1-NE2 3.1Å
15C83.2Confident86.8Confident43 Ų4349.5 Ų49.529%0.29128%0.276SS..SBendtrans-142.7154.3-169.279.70000112.1S17 C18 G19C15-S17 VanDerWaalsContact C-N 3.27Å; C15-S17 PolarHBondContact O-N 3.43Å; C15-S17 PolarHBondContact SG-OG 3Å; C15-C18 HydrophobicContact CB-CB 4.28Å; C15-C18 WeakPolarHBondContact CB-SG 2.97Å; C15-C18 VanDerWaalsContact O-CB 3.25Å; C15-C18 WeakPolarHBondContact O-CB 3.41Å; C15-C18 PolarHBondContact O-N 3.19Å; C15-C18 VanDerWaalsContact O-N 3.15Å; C15-C18 WeakPolarHBondContact SG-CB 3.42Å; C15-C18 PolarHBondContact SG-N 2.78Å; C15-C18 CovalentContact SG-SG 2.07Å; C15-C18 PolarHBondContact SG-SG 3.23Å; C15-G19 PolarHBondContact O-N 2.86Å
16H81Confident87.1Confident152 Ų15246.6 Ų46.670%0.70426%0.262SS*.Hα-helixtrans-60.7-34178.6-92.1-77.9000113G19 F20 I39H16-G19 PolarHBondContact O-N 3.45Å; H16-F20 PolarHBondContact O-N 2.97Å; H16-I39 HydrophobicContact CB-CD1 4.28Å; H16-I39 WeakPolarHBondContact ND1-CD1 3.16Å
17S83.4Confident87.2Confident87 Ų8751.5 Ų51.561%0.60828%0.284SS*.Hα-helixtrans-70-37.3175.358.90000112.4C15 F20 A21C15-S17 VanDerWaalsContact C-N 3.27Å; C15-S17 PolarHBondContact O-N 3.43Å; C15-S17 PolarHBondContact SG-OG 3Å; S17-F20 PolarHBondContact O-N 3.4Å; S17-A21 PolarHBondContact O-N 3.15Å
18C85.4Confident87Confident24 Ų2456.3 Ų56.316%0.16231%0.307CS..Hα-helixtrans-59.1-49.3172.6-49.80000109.9M13 C15 F20 A21 V22 F67M13-C18 HydrophobicContact CG-CB 4.21Å; C15-C18 HydrophobicContact CB-CB 4.28Å; C15-C18 WeakPolarHBondContact CB-SG 2.97Å; C15-C18 VanDerWaalsContact O-CB 3.25Å; C15-C18 WeakPolarHBondContact O-CB 3.41Å; C15-C18 PolarHBondContact O-N 3.19Å; C15-C18 VanDerWaalsContact O-N 3.15Å; C15-C18 WeakPolarHBondContact SG-CB 3.42Å; C15-C18 PolarHBondContact SG-N 2.78Å; C15-C18 CovalentContact SG-SG 2.07Å; C15-C18 PolarHBondContact SG-SG 3.23Å; C18-F20 PolarHBondContact O-N 3.49Å; C18-A21 PolarHBondContact O-N 3Å; C18-V22 WeakPolarHBondContact O-CG2 3.42Å; C18-V22 PolarHBondContact O-N 3.4Å; C18-V22 VanDerWaalsContact O-N 3.07Å; C18-F67 HydrophobicContact CB-CE1 4.27Å; C18-F67 HydrophobicContact CB-CZ 3.83Å
19G86.4Confident86.8Confident3 Ų358.2 Ų58.23%0.03132%0.317CS..Hα-helixtrans-61.5-43.1177.300000113C15 H16 A21 V22 Q23C15-G19 PolarHBondContact O-N 2.86Å; H16-G19 PolarHBondContact O-N 3.45Å; G19-A21 PolarHBondContact O-N 3.27Å; G19-V22 PolarHBondContact O-N 3.45Å; G19-Q23 WeakPolarHBondContact O-CB 3.31Å; G19-Q23 PolarHBondContact O-N 2.7Å
20F87.3Confident86.3Confident145 Ų14564.3 Ų64.364%0.63634%0.342SS*.Hα-helixtrans-61.9-40.4174.5-110.9-81.5000112.6H16 S17 C18 Q23 A24H16-F20 PolarHBondContact O-N 2.97Å; S17-F20 PolarHBondContact O-N 3.4Å; C18-F20 PolarHBondContact O-N 3.49Å; F20-Q23 PolarHBondContact O-N 3.05Å; F20-A24 VanDerWaalsContact O-CB 3.25Å; F20-A24 WeakPolarHBondContact O-CB 3.41Å; F20-A24 PolarHBondContact O-N 3.08Å
21A88Confident85.8Confident40 Ų4065.4 Ų65.433%0.33135%0.353SS..Hα-helixtrans-63.6-45.8177.800000111.8S17 C18 G19 A24 S25 I65S17-A21 PolarHBondContact O-N 3.15Å; C18-A21 PolarHBondContact O-N 3Å; G19-A21 PolarHBondContact O-N 3.27Å; A21-A24 PolarHBondContact O-N 3.18Å; A21-S25 PolarHBondContact O-N 3.16Å; A21-I65 HydrophobicContact CB-CG2 4.22Å
22V90.5Very high85.9Confident0 Ų062.6 Ų62.60%034%0.339CS..Hα-helixtrans-63.3-45.4175.8176.30000111.1V10 M13 C18 G19 A24 S25 L26 V44 V62 F67V10-V22 HydrophobicContact CG1-CG2 4.21Å; V10-V22 HydrophobicContact CG2-CG1 4.48Å; M13-V22 HydrophobicContact SD-CB 4.4Å; M13-V22 HydrophobicContact SD-CG2 4.37Å; C18-V22 WeakPolarHBondContact O-CG2 3.42Å; C18-V22 PolarHBondContact O-N 3.4Å; C18-V22 VanDerWaalsContact O-N 3.07Å; G19-V22 PolarHBondContact O-N 3.45Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 3.48Å; V22-S25 PolarHBondContact O-N 2.98Å; V22-L26 HydrophobicContact CG1-CD1 3.83Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 3.41Å; V22-L26 VanDerWaalsContact O-N 3.09Å; V22-V44 HydrophobicContact CG1-CG2 3.89Å; V22-V62 HydrophobicContact CG1-CG1 4.45Å; V22-V62 HydrophobicContact CG1-CG2 4.16Å; V22-F67 HydrophobicContact CG2-CD2 3.62Å; V22-F67 HydrophobicContact CG2-CE2 3.86Å; V22-F67 HydrophobicContact CG2-CG 4.28Å
23Q91.3Very high85.9Confident45 Ų4566.1 Ų66.121%0.2134%0.342CS..Hα-helixtrans-59.5-43.4176.8-162.4-177.88.500111.9G19 F20 K27 V35 V37G19-Q23 WeakPolarHBondContact O-CB 3.31Å; G19-Q23 PolarHBondContact O-N 2.7Å; F20-Q23 PolarHBondContact O-N 3.05Å; Q23-K27 HydrophobicContact CG-CD 4.39Å; Q23-K27 WeakPolarHBondContact O-CB 3.5Å; Q23-K27 WeakPolarHBondContact O-CG 3.37Å; Q23-K27 PolarHBondContact O-N 3.41Å; Q23-V35 HydrophobicContact CB-CG1 4.46Å; Q23-V35 HydrophobicContact CG-CB 3.93Å; Q23-V35 HydrophobicContact CG-CG1 3.94Å; Q23-V35 PolarHBondContact NE2-O 2.92Å; Q23-V37 HydrophobicContact CB-CG2 3.85Å; Q23-V37 HydrophobicContact CG-CG2 4.17Å
24A88.5Confident86Confident49 Ų4969 Ų6941%0.40536%0.357SS..Hα-helixtrans-68-35.4-179.500000113F20 A21 V22 K28F20-A24 VanDerWaalsContact O-CB 3.25Å; F20-A24 WeakPolarHBondContact O-CB 3.41Å; F20-A24 PolarHBondContact O-N 3.08Å; A21-A24 PolarHBondContact O-N 3.18Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 3.48Å; A24-K28 WeakPolarHBondContact O-CG 3.06Å
25S89.6Confident86.3Confident21 Ų2163.6 Ų63.615%0.14733%0.328CS..Hα-helixtrans-70.5-44.5176-171.20000112.1A21 V22 K27 K28 A61A21-S25 PolarHBondContact O-N 3.16Å; V22-S25 PolarHBondContact O-N 2.98Å; S25-K27 PolarHBondContact O-N 3.26Å; S25-K28 WeakPolarHBondContact O-CB 3.38Å; S25-K28 PolarHBondContact O-N 2.73Å; S25-A61 PolarHBondContact OG-O 2.85Å
26L90.7Very high86.6Confident0 Ų066.2 Ų66.20%034%0.339CS..Hα-helixtrans-66.1-37.8178.9-69.5169000112.3V22 K28 L29 V35 V44 V46 L58 V62V22-L26 HydrophobicContact CG1-CD1 3.83Å; V22-L26 WeakPolarHBondContact O-CG 3.44Å; V22-L26 PolarHBondContact O-N 3.41Å; V22-L26 VanDerWaalsContact O-N 3.09Å; L26-K28 PolarHBondContact O-N 3.38Å; L26-L29 HydrophobicContact CD2-CD1 4.34Å; L26-L29 PolarHBondContact O-N 3.38Å; L26-V35 HydrophobicContact CB-CG1 4.14Å; L26-V35 HydrophobicContact CB-CG2 3.79Å; L26-V35 HydrophobicContact CD1-CG1 3.88Å; L26-V44 HydrophobicContact CD1-CB 4.47Å; L26-V44 HydrophobicContact CD1-CG1 3.58Å; L26-V46 HydrophobicContact CD1-CG2 3.89Å; L26-V46 HydrophobicContact CD2-CG2 4.47Å; L26-L58 HydrophobicContact CD2-CB 4.28Å; L26-L58 HydrophobicContact CD2-CD2 3.81Å; L26-V62 HydrophobicContact CD1-CG2 4.15Å; L26-V62 HydrophobicContact CD2-CG2 3.88Å; L26-V62 HydrophobicContact CG-CG2 4.1Å
27K88.9Confident87Confident105 Ų10561 Ų6146%0.45732%0.317SS..THydrogen-bonded Turntrans-66.2-16.7174.9-79-174.5172.1177.40114.3Q23 S25 L29 D34 V35Q23-K27 HydrophobicContact CG-CD 4.39Å; Q23-K27 WeakPolarHBondContact O-CB 3.5Å; Q23-K27 WeakPolarHBondContact O-CG 3.37Å; Q23-K27 PolarHBondContact O-N 3.41Å; S25-K27 PolarHBondContact O-N 3.26Å; K27-L29 VanDerWaalsContact C-N 3.34Å; K27-D34 IonicContact NZ-OD1 3.14Å; K27-V35 HydrophobicContact CG-CB 4.31Å; K27-V35 HydrophobicContact CG-CG2 3.79Å
28K86.3Confident87.2Confident178 Ų17859.5 Ų59.577%0.77430%0.302SS*.THydrogen-bonded Turntrans-77.1-18.7174.8-74.4172.8-177.2177.90113.1A24 S25 L26A24-K28 WeakPolarHBondContact O-CG 3.06Å; S25-K28 WeakPolarHBondContact O-CB 3.38Å; S25-K28 PolarHBondContact O-N 2.73Å; L26-K28 PolarHBondContact O-N 3.38Å
29L85.6Confident87.2Confident41 Ų4160.3 Ų60.322%0.21531%0.305CS..SBendtrans-74.3126.7-179.2-67.2171.4000110.7L26 K27 G31 V32 L58 A61L26-L29 HydrophobicContact CD2-CD1 4.34Å; L26-L29 PolarHBondContact O-N 3.38Å; K27-L29 VanDerWaalsContact C-N 3.34Å; L29-G31 PolarHBondContact O-N 2.86Å; L29-V32 HydrophobicContact CB-CG2 3.87Å; L29-V32 PolarHBondContact O-N 2.8Å; L29-L58 HydrophobicContact CD1-CD2 3.69Å; L29-A61 HydrophobicContact CD1-CB 3.77Å; L29-A61 HydrophobicContact CD2-CB 4.4Å; L29-A61 HydrophobicContact CG-CB 4.31Å
30K82.5Confident86.9Confident186 Ų18668.2 Ų68.281%0.80935%0.346SS*.THydrogen-bonded Turntrans-60.9125.1177.9-72.4-174.5177.7-179.50110.5Q53K30-Q53 PolarHBondContact O-NE2 3.09Å
31G80.6Confident86.7Confident22 Ų2266.1 Ų66.123%0.22734%0.338CS..THydrogen-bonded Turntrans99-1.7178.700000115.4L29 C48 D49 S52L29-G31 PolarHBondContact O-N 2.86Å; G31-C48 CarbonylContact O-C 3.45Å; G31-C48 VanDerWaalsContact O-CA 3.3Å; G31-C48 WeakPolarHBondContact O-CA 3.45Å; G31-D49 PolarHBondContact O-N 2.98Å; G31-S52 PolarHBondContact O-OG 3.2Å
32V85.7Confident86.7Confident23 Ų2366.5 Ų66.514%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-82.3123.9167177.60000109.2L29 V35 V46 E47 Q53 L58L29-V32 HydrophobicContact CB-CG2 3.87Å; L29-V32 PolarHBondContact O-N 2.8Å; V32-V35 HydrophobicContact CG1-CG2 3.51Å; V32-V46 HydrophobicContact CB-CG1 4.41Å; V32-V46 HydrophobicContact CG1-CG1 3.62Å; V32-V46 HydrophobicContact CG2-CG1 3.94Å; V32-E47 CarbonylContact C-O 3.59Å; V32-E47 WeakPolarHBondContact CA-O 3.41Å; V32-Q53 HydrophobicContact CG2-CG 4.43Å; V32-L58 HydrophobicContact CG2-CD2 4.26Å
33R82.2Confident86.7Confident109 Ų10966.7 Ų66.741%0.41133%0.334SS..EExtended strand (participates in β ladder)trans-90.4-47.9178.3-70.5-172.7-174.81792.3112.3E47 D49R33-E47 HydrophobicContact CB-CB 4.37Å; R33-E47 PolarHBondContact N-O 3.02Å; R33-D49 IonicContact CZ-OD1 3.37Å; R33-D49 IonicContact NE-OD1 3.24Å; R33-D49 PolarHBondContact NE-OD1 3.48Å; R33-D49 IonicContact NH2-OD1 2.73Å; R33-D49 PolarHBondContact NH2-OD1 2.95Å
34D86.3Confident86.7Confident61 Ų6164.5 Ų64.533%0.32632%0.324SS..EExtended strand (participates in β ladder)trans-144.4156.6178.8-154.78.1000112.3K27 E47K27-D34 IonicContact NZ-OD1 3.14Å; D34-E47 PolarHBondContact O-N 2.78Å
35V90Very high86.8Confident1 Ų164.7 Ų64.71%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-139.4110.8-179.7-175.40000108.3Q23 L26 K27 V32 V37 V44 I45 V46Q23-V35 HydrophobicContact CB-CG1 4.46Å; Q23-V35 HydrophobicContact CG-CB 3.93Å; Q23-V35 HydrophobicContact CG-CG1 3.94Å; Q23-V35 PolarHBondContact NE2-O 2.92Å; L26-V35 HydrophobicContact CB-CG1 4.14Å; L26-V35 HydrophobicContact CB-CG2 3.79Å; L26-V35 HydrophobicContact CD1-CG1 3.88Å; K27-V35 HydrophobicContact CG-CB 4.31Å; K27-V35 HydrophobicContact CG-CG2 3.79Å; V32-V35 HydrophobicContact CG1-CG2 3.51Å; V35-V37 HydrophobicContact CG1-CG2 4.33Å; V35-V44 HydrophobicContact CG1-CG1 3.45Å; V35-V44 VanDerWaalsContact CG1-CG1 3.45Å; V35-I45 WeakPolarHBondContact CA-O 3.35Å; V35-V46 HydrophobicContact CG1-CG2 4.47Å; V35-V46 HydrophobicContact CG2-CG1 4.35Å
36L88.4Confident86.8Confident98 Ų9863.7 Ų63.751%0.51331%0.31SS..EExtended strand (participates in β ladder)trans-101.1122.4176.3-78.3158.1000109.4V44 I45L36-V44 CarbonylContact O-C 3.57Å; L36-V44 WeakPolarHBondContact O-CA 3.2Å; L36-I45 HydrophobicContact CB-CB 4.25Å; L36-I45 PolarHBondContact N-O 3.44Å; L36-I45 PolarHBondContact O-N 2.78Å
37V89.4Confident86.6Confident42 Ų4266.4 Ų66.426%0.25532%0.323SS..EExtended strand (participates in β ladder)trans-107.2123.3-178.2177.30000110M13 Q23 V35 I39 V44M13-V37 HydrophobicContact CE-CG1 3.6Å; M13-V37 HydrophobicContact SD-CG1 3.39Å; M13-V37 WeakPolarHBondContact SD-CG1 3.4Å; Q23-V37 HydrophobicContact CB-CG2 3.85Å; Q23-V37 HydrophobicContact CG-CG2 4.17Å; V35-V37 HydrophobicContact CG1-CG2 4.33Å; V37-I39 HydrophobicContact CG1-CG1 4.31Å; V37-V44 HydrophobicContact CG1-CG2 4.45Å; V37-V44 HydrophobicContact CG2-CG1 4.18Å; V37-V44 HydrophobicContact CG2-CG2 4.22Å
38N87.1Confident86.4Confident56 Ų5661.4 Ų61.430%0.29930%0.301SS..EExtended strand (participates in β ladder)trans-110.2103.4172.1-170-15000110.2M13 L40 E41 Q42 S43M13-N38 WeakPolarHBondContact CE-O 3.48Å; N38-L40 VanDerWaalsContact C-N 3.35Å; N38-L40 PolarHBondContact OD1-N 3.2Å; N38-L40 VanDerWaalsContact OD1-N 3.14Å; N38-E41 HydrophobicContact CB-CB 4.34Å; N38-E41 WeakPolarHBondContact ND2-CG 3.44Å; N38-E41 PolarHBondContact ND2-OE2 2.81Å; N38-E41 PolarHBondContact OD1-N 2.82Å; N38-Q42 PolarHBondContact O-N 3.29Å; N38-Q42 VanDerWaalsContact O-N 3.12Å; N38-S43 PolarHBondContact N-O 2.81Å; N38-S43 PolarHBondContact O-N 2.82Å
39I85.3Confident86.1Confident41 Ų4155.5 Ų55.521%0.2128%0.278CS..THydrogen-bonded Turntrans-67.9-36-178.6-57.3168.6000111H16 V37 E41 Q42H16-I39 HydrophobicContact CB-CD1 4.28Å; H16-I39 WeakPolarHBondContact ND1-CD1 3.16Å; V37-I39 HydrophobicContact CG1-CG1 4.31Å; I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 2.78Å; I39-Q42 PolarHBondContact O-N 2.97Å
40L81.1Confident85.3Confident170 Ų17058.4 Ų58.489%0.8929%0.292SS*.THydrogen-bonded Turntrans-67.9-33.6-177.8-66.8172.2000112.2N38N38-L40 VanDerWaalsContact C-N 3.35Å; N38-L40 PolarHBondContact OD1-N 3.2Å; N38-L40 VanDerWaalsContact OD1-N 3.14Å
41E83.9Confident84.6Confident100 Ų10053.7 Ų53.747%0.46730%0.296SS..THydrogen-bonded Turntrans-97.91.3179.1-66.2-179.4159.400113.4R7 N38 I39 S43R7-E41 IonicContact CZ-OE2 2.79Å; R7-E41 IonicContact NH2-OE1 3.71Å; R7-E41 IonicContact NH2-OE2 2.6Å; R7-E41 PolarHBondContact NH2-OE2 3.19Å; N38-E41 HydrophobicContact CB-CB 4.34Å; N38-E41 WeakPolarHBondContact ND2-CG 3.44Å; N38-E41 PolarHBondContact ND2-OE2 2.81Å; N38-E41 PolarHBondContact OD1-N 2.82Å; I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 2.78Å; E41-S43 PolarHBondContact O-N 2.72Å; E41-S43 VanDerWaalsContact O-N 3.13Å; E41-S43 PolarHBondContact OE2-OG 2.98Å
42Q88Confident84Confident49 Ų4954.8 Ų54.823%0.22930%0.3CS..THydrogen-bonded Turntrans45.942.9-170.4-70.1176.8-23.900111.4H9 V10 N14 N38 I39H9-Q42 CarbonylContact C-O 3.6Å; H9-Q42 WeakPolarHBondContact CA-O 2.89Å; H9-Q42 PolarHBondContact ND1-O 3.17Å; V10-Q42 PolarHBondContact N-O 3.25Å; N14-Q42 PolarHBondContact OD1-NE2 3.1Å; N38-Q42 PolarHBondContact O-N 3.29Å; N38-Q42 VanDerWaalsContact O-N 3.12Å; I39-Q42 PolarHBondContact O-N 2.97Å
43S89.8Confident83.5Confident3 Ų355.6 Ų55.62%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-129.1147.2-174.479.80000112.1L8 N38 E41L8-S43 CarbonylContact O-C 3.56Å; L8-S43 VanDerWaalsContact O-CA 3.24Å; L8-S43 WeakPolarHBondContact O-CA 3.47Å; N38-S43 PolarHBondContact N-O 2.81Å; N38-S43 PolarHBondContact O-N 2.82Å; E41-S43 PolarHBondContact O-N 2.72Å; E41-S43 VanDerWaalsContact O-N 3.13Å; E41-S43 PolarHBondContact OE2-OG 2.98Å
44V90.9Very high83.3Confident0 Ų052.9 Ų52.90%030%0.3CS..EExtended strand (participates in β ladder)trans-129.7124.5-179.5-175.50000108.8R7 L8 V10 M13 V22 L26 V35 L36 V37 V46R7-V44 WeakPolarHBondContact CA-O 3.37Å; L8-V44 PolarHBondContact N-O 3.45Å; L8-V44 PolarHBondContact O-N 2.73Å; V10-V44 HydrophobicContact CG2-CB 4.4Å; V10-V44 HydrophobicContact CG2-CG2 3.77Å; M13-V44 HydrophobicContact CE-CG2 3.93Å; M13-V44 HydrophobicContact SD-CG2 3.9Å; V22-V44 HydrophobicContact CG1-CG2 3.89Å; L26-V44 HydrophobicContact CD1-CB 4.47Å; L26-V44 HydrophobicContact CD1-CG1 3.58Å; V35-V44 HydrophobicContact CG1-CG1 3.45Å; V35-V44 VanDerWaalsContact CG1-CG1 3.45Å; L36-V44 CarbonylContact O-C 3.57Å; L36-V44 WeakPolarHBondContact O-CA 3.2Å; V37-V44 HydrophobicContact CG1-CG2 4.45Å; V37-V44 HydrophobicContact CG2-CG1 4.18Å; V37-V44 HydrophobicContact CG2-CG2 4.22Å; V44-V46 HydrophobicContact CG1-CG2 4.08Å
45I90.2Very high83.1Confident53 Ų5351.3 Ų51.327%0.27230%0.295SS..EExtended strand (participates in β ladder)trans-100.7123.4176.3-58.1169000107.4R7 V35 L36R7-I45 HydrophobicContact CG-CG1 4.04Å; V35-I45 WeakPolarHBondContact CA-O 3.35Å; L36-I45 HydrophobicContact CB-CB 4.25Å; L36-I45 PolarHBondContact N-O 3.44Å; L36-I45 PolarHBondContact O-N 2.78Å
46V89.8Confident82.8Confident0 Ų054.5 Ų54.50%032%0.318CS..EExtended strand (participates in β ladder)trans-117.5119.3-177.3-172.20000109.4M6 L8 L26 V32 V35 V44 L58M6-V46 PolarHBondContact N-O 3.36Å; M6-V46 PolarHBondContact O-N 2.92Å; L8-V46 HydrophobicContact CD1-CG2 3.75Å; L26-V46 HydrophobicContact CD1-CG2 3.89Å; L26-V46 HydrophobicContact CD2-CG2 4.47Å; V32-V46 HydrophobicContact CB-CG1 4.41Å; V32-V46 HydrophobicContact CG1-CG1 3.62Å; V32-V46 HydrophobicContact CG2-CG1 3.94Å; V35-V46 HydrophobicContact CG1-CG2 4.47Å; V35-V46 HydrophobicContact CG2-CG1 4.35Å; V44-V46 HydrophobicContact CG1-CG2 4.08Å; V46-L58 HydrophobicContact CB-CD1 4.42Å; V46-L58 HydrophobicContact CG1-CD1 4.4Å; V46-L58 HydrophobicContact CG1-CD2 3.97Å
47E87.1Confident82.7Confident56 Ų5651.9 Ų51.926%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-88.9120.2171-78.9-177.4-159.900110.1E5 V32 R33 D34E5-E47 HydrophobicContact CG-CG 3.92Å; V32-E47 CarbonylContact C-O 3.59Å; V32-E47 WeakPolarHBondContact CA-O 3.41Å; R33-E47 HydrophobicContact CB-CB 4.37Å; R33-E47 PolarHBondContact N-O 3.02Å; D34-E47 PolarHBondContact O-N 2.78Å
48C83.8Confident82.6Confident0 Ų049.9 Ų49.90%030%0.296CS..EExtended strand (participates in β ladder)trans-120.1150178.7-60.70000112K4 M6 G31K4-C48 PolarHBondContact N-O 2.96Å; K4-C48 PolarHBondContact O-N 2.65Å; M6-C48 HydrophobicContact CE-CB 4.05Å; G31-C48 CarbonylContact O-C 3.45Å; G31-C48 VanDerWaalsContact O-CA 3.3Å; G31-C48 WeakPolarHBondContact O-CA 3.45Å
49D81.1Confident82.7Confident55 Ų5548.8 Ų48.829%0.29429%0.289SS..EExtended strand (participates in β ladder)trans-63.5134.3165-74.8-33.6000110.2G31 R33 G51 S52G31-D49 PolarHBondContact O-N 2.98Å; R33-D49 IonicContact CZ-OD1 3.37Å; R33-D49 IonicContact NE-OD1 3.24Å; R33-D49 PolarHBondContact NE-OD1 3.48Å; R33-D49 IonicContact NH2-OD1 2.73Å; R33-D49 PolarHBondContact NH2-OD1 2.95Å; D49-G51 PolarHBondContact O-N 3.23Å; D49-G51 VanDerWaalsContact O-N 3.1Å; D49-S52 WeakPolarHBondContact O-CB 3.33Å; D49-S52 PolarHBondContact O-N 3.27Å; D49-S52 PolarHBondContact O-OG 3.41Å
50M68.1Low82.9Confident102 Ų10251.1 Ų51.150%0.50230%0.302SS..THydrogen-bonded Turntrans-54.1117.6176.2-81-75.4-79.100111.3K2 K4K2-M50 HydrophobicContact CB-CB 4.27Å; K2-M50 HydrophobicContact CB-CG 3.7Å; K2-M50 WeakPolarHBondContact O-CB 3.27Å; K2-M50 WeakPolarHBondContact O-CG 3.39Å; K2-M50 PolarHBondContact O-N 2.7Å; K2-M50 VanDerWaalsContact O-N 3.17Å; K4-M50 HydrophobicContact CB-CG 4.42Å; K4-M50 HydrophobicContact CB-SD 3.81Å; K4-M50 HydrophobicContact CD-SD 4.28Å; K4-M50 HydrophobicContact CG-SD 4.34Å
51G67.8Low83.3Confident87 Ų8743.4 Ų43.490%0.89726%0.263SS*.THydrogen-bonded Turntrans94.3-4.7179.200000116.1D49D49-G51 PolarHBondContact O-N 3.23Å; D49-G51 VanDerWaalsContact O-N 3.1Å
52S69Low83.6Confident44 Ų4438.7 Ų38.731%0.30824%0.241SC..THydrogen-bonded Turntrans-86.1-35.3-174.164.60000115.2G31 D49G31-S52 PolarHBondContact O-OG 3.2Å; D49-S52 WeakPolarHBondContact O-CB 3.33Å; D49-S52 PolarHBondContact O-N 3.27Å; D49-S52 PolarHBondContact O-OG 3.41Å
53Q73.5Confident83.6Confident41 Ų4140.5 Ų40.519%0.19225%0.25CC..  trans-135.6140.4-176.7-68.8-60.6-24.300112.1M6 K30 V32 S57M6-Q53 WeakPolarHBondContact CE-O 3.46Å; K30-Q53 PolarHBondContact O-NE2 3.09Å; V32-Q53 HydrophobicContact CG2-CG 4.43Å; Q53-S57 PolarHBondContact OE1-OG 3.17Å
54S79Confident83.5Confident51 Ų5148.4 Ų48.436%0.35729%0.286SS..  trans-92.3153.2171.773.60000110S56 S57 L58S54-S56 PolarHBondContact O-N 3.49Å; S54-S56 PolarHBondContact OG-OG 2.83Å; S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 2.97Å; S54-S57 PolarHBondContact OG-N 2.94Å; S54-S57 PolarHBondContact OG-OG 3.46Å; S54-L58 PolarHBondContact O-N 3.37Å
55A81Confident83.3Confident28 Ų2851.4 Ų51.423%0.23130%0.302CS..Hα-helixtrans-56.9-34.8175.700000112.3S57 L58 I59 L71A55-S57 PolarHBondContact O-N 3.25Å; A55-L58 PolarHBondContact O-N 3.31Å; A55-I59 WeakPolarHBondContact O-CG1 3.47Å; A55-I59 PolarHBondContact O-N 3.05Å; A55-I59 VanDerWaalsContact O-N 3.09Å; A55-L71 HydrophobicContact CB-CD1 4.21Å; A55-L71 HydrophobicContact CB-CD2 3.73Å; A55-L71 HydrophobicContact CB-CG 4.43Å
56S84.3Confident83Confident69 Ų6952 Ų5248%0.48332%0.322SS..Hα-helixtrans-62.1-38.2173.834.60000113.2S54 L58 I59 N60S54-S56 PolarHBondContact O-N 3.49Å; S54-S56 PolarHBondContact OG-OG 2.83Å; S56-L58 VanDerWaalsContact C-N 3.35Å; S56-L58 PolarHBondContact O-N 3.37Å; S56-I59 PolarHBondContact O-N 3.1Å; S56-N60 WeakPolarHBondContact O-CB 3.08Å; S56-N60 PolarHBondContact O-N 3.49Å; S56-N60 PolarHBondContact O-OD1 3.5Å
57S85.7Confident83Confident42 Ų4253.7 Ų53.729%0.29433%0.329SS..Hα-helixtrans-64.7-40178.1-55.50000111.8Q53 S54 A55 A61Q53-S57 PolarHBondContact OE1-OG 3.17Å; S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 2.97Å; S54-S57 PolarHBondContact OG-N 2.94Å; S54-S57 PolarHBondContact OG-OG 3.46Å; A55-S57 PolarHBondContact O-N 3.25Å; S57-A61 PolarHBondContact O-N 3.43Å
58L87.9Confident83Confident0 Ų056.6 Ų56.60%035%0.345CS..Hα-helixtrans-68-44.7177.9-63.1172.1000111.5M6 L8 L26 L29 V32 V46 S54 A55 S56 N60 A61 V62M6-L58 HydrophobicContact CB-CD1 4.13Å; M6-L58 HydrophobicContact CE-CD1 3.95Å; M6-L58 HydrophobicContact CG-CD1 4.19Å; M6-L58 HydrophobicContact SD-CD1 3.74Å; L8-L58 HydrophobicContact CD1-CB 3.96Å; L8-L58 HydrophobicContact CD1-CD1 4.35Å; L8-L58 HydrophobicContact CD2-CB 4.43Å; L26-L58 HydrophobicContact CD2-CB 4.28Å; L26-L58 HydrophobicContact CD2-CD2 3.81Å; L29-L58 HydrophobicContact CD1-CD2 3.69Å; V32-L58 HydrophobicContact CG2-CD2 4.26Å; V46-L58 HydrophobicContact CB-CD1 4.42Å; V46-L58 HydrophobicContact CG1-CD1 4.4Å; V46-L58 HydrophobicContact CG1-CD2 3.97Å; S54-L58 PolarHBondContact O-N 3.37Å; A55-L58 PolarHBondContact O-N 3.31Å; S56-L58 VanDerWaalsContact C-N 3.35Å; S56-L58 PolarHBondContact O-N 3.37Å; L58-N60 PolarHBondContact O-N 2.78Å; L58-A61 PolarHBondContact O-N 2.72Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.39Å
59I89.5Confident83.2Confident33 Ų3357.2 Ų57.217%0.16935%0.351CS..Hα-helixtrans-61.4-45178.1-68.4167.7000110.5L8 A55 S56 A61 V62 Q63 A69 L71L8-I59 HydrophobicContact CD2-CG1 3.78Å; A55-I59 WeakPolarHBondContact O-CG1 3.47Å; A55-I59 PolarHBondContact O-N 3.05Å; A55-I59 VanDerWaalsContact O-N 3.09Å; S56-I59 PolarHBondContact O-N 3.1Å; I59-A61 VanDerWaalsContact C-N 3.34Å; I59-A61 PolarHBondContact O-N 3.2Å; I59-V62 PolarHBondContact O-N 2.93Å; I59-Q63 HydrophobicContact CG2-CG 4.27Å; I59-Q63 WeakPolarHBondContact O-CG 3.46Å; I59-Q63 PolarHBondContact O-N 3.16Å; I59-A69 HydrophobicContact CG2-CB 4.38Å; I59-A69 WeakPolarHBondContact CG2-O 3.22Å; I59-L71 HydrophobicContact CD1-CB 4.43Å
60N89.6Confident83.5Confident90 Ų9061.1 Ų61.148%0.48137%0.367SS..Hα-helixtrans-60.9-41.6178-71.4-6.3000112.1S56 L58 V62 Q63 E64S56-N60 WeakPolarHBondContact O-CB 3.08Å; S56-N60 PolarHBondContact O-N 3.49Å; S56-N60 PolarHBondContact O-OD1 3.5Å; L58-N60 PolarHBondContact O-N 2.78Å; N60-V62 VanDerWaalsContact C-N 3.26Å; N60-V62 PolarHBondContact O-N 3.47Å; N60-Q63 PolarHBondContact O-N 2.68Å; N60-E64 WeakPolarHBondContact O-CG 3.19Å; N60-E64 PolarHBondContact O-N 2.6Å
61A89.2Confident84.5Confident9 Ų958.9 Ų58.97%0.07436%0.357CS..Hα-helixtrans-66.5-25.3179.100000113.8S25 L29 S57 L58 I59 I65S25-A61 PolarHBondContact OG-O 2.85Å; L29-A61 HydrophobicContact CD1-CB 3.77Å; L29-A61 HydrophobicContact CD2-CB 4.4Å; L29-A61 HydrophobicContact CG-CB 4.31Å; S57-A61 PolarHBondContact O-N 3.43Å; L58-A61 PolarHBondContact O-N 2.72Å; I59-A61 VanDerWaalsContact C-N 3.34Å; I59-A61 PolarHBondContact O-N 3.2Å; A61-I65 WeakPolarHBondContact O-CG1 3.38Å
62V90Very high85.3Confident0 Ų059.2 Ų59.20%034%0.337CS..Hα-helixtrans-83.1-39.4174179.60000110.9V10 V22 L26 L58 I59 N60 E64 I65 F67 A69V10-V62 HydrophobicContact CG1-CG1 3.62Å; V10-V62 HydrophobicContact CG2-CG1 4.1Å; V22-V62 HydrophobicContact CG1-CG1 4.45Å; V22-V62 HydrophobicContact CG1-CG2 4.16Å; L26-V62 HydrophobicContact CD1-CG2 4.15Å; L26-V62 HydrophobicContact CD2-CG2 3.88Å; L26-V62 HydrophobicContact CG-CG2 4.1Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.39Å; I59-V62 PolarHBondContact O-N 2.93Å; N60-V62 VanDerWaalsContact C-N 3.26Å; N60-V62 PolarHBondContact O-N 3.47Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 2.77Å; V62-I65 PolarHBondContact O-N 3.14Å; V62-F67 CarbonylContact C-O 3.51Å; V62-F67 HydrophobicContact CG1-CB 3.76Å; V62-F67 PolarHBondContact O-N 2.82Å; V62-A69 HydrophobicContact CB-CB 3.84Å; V62-A69 HydrophobicContact CG1-CB 3.74Å; V62-A69 HydrophobicContact CG2-CB 4.43Å
63Q89.5Confident85.9Confident88 Ų8861.1 Ų61.141%0.41134%0.341SS..Hα-helixtrans-65-32.9176.3-73.7179.8-14.300113.2I59 N60 I65 G66 F67I59-Q63 HydrophobicContact CG2-CG 4.27Å; I59-Q63 WeakPolarHBondContact O-CG 3.46Å; I59-Q63 PolarHBondContact O-N 3.16Å; N60-Q63 PolarHBondContact O-N 2.68Å; Q63-I65 PolarHBondContact O-N 2.99Å; Q63-G66 PolarHBondContact O-N 2.79Å; Q63-F67 VanDerWaalsContact CA-O 3.27Å; Q63-F67 WeakPolarHBondContact CA-O 3.42Å; Q63-F67 PolarHBondContact N-O 2.77Å
64E87.5Confident86Confident169 Ų16962.1 Ų62.179%0.7935%0.35SS*.THydrogen-bonded Turntrans-62.1-22.7174-80.8-177177.100113.7N60 V62 G66N60-E64 WeakPolarHBondContact O-CG 3.19Å; N60-E64 PolarHBondContact O-N 2.6Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 2.77Å; E64-G66 VanDerWaalsContact C-N 3.34Å
65I85.9Confident85.6Confident62 Ų6264.7 Ų64.732%0.31836%0.355SS..THydrogen-bonded Turntrans-88.8-6.9176.5-41.5163.2000111.1A21 A61 V62 Q63 F67A21-I65 HydrophobicContact CB-CG2 4.22Å; A61-I65 WeakPolarHBondContact O-CG1 3.38Å; V62-I65 PolarHBondContact O-N 3.14Å; Q63-I65 PolarHBondContact O-N 2.99Å; I65-F67 HydrophobicContact CB-CD2 4.12Å; I65-F67 HydrophobicContact CB-CE2 4.48Å; I65-F67 HydrophobicContact CG2-CD2 4.11Å; I65-F67 HydrophobicContact CG2-CE2 3.96Å
66G84.8Confident84.4Confident67 Ų6765.7 Ų65.769%0.69136%0.363SS*.THydrogen-bonded Turntrans94.612.4-179.100000115.4Q63 E64Q63-G66 PolarHBondContact O-N 2.79Å; E64-G66 VanDerWaalsContact C-N 3.34Å
67F88.3Confident82.5Confident35 Ų3568 Ų6815%0.15437%0.366CS..  trans-103138.2174.7-62.3-76.4000111.3V10 D11 G12 C18 V22 V62 Q63 I65V10-F67 HydrophobicContact CG1-CB 3.56Å; V10-F67 HydrophobicContact CG1-CD1 4.49Å; V10-F67 HydrophobicContact CG1-CG 4.08Å; D11-F67 WeakPolarHBondContact O-CD1 3.44Å; G12-F67 WeakPolarHBondContact O-CE1 3.42Å; C18-F67 HydrophobicContact CB-CE1 4.27Å; C18-F67 HydrophobicContact CB-CZ 3.83Å; V22-F67 HydrophobicContact CG2-CD2 3.62Å; V22-F67 HydrophobicContact CG2-CE2 3.86Å; V22-F67 HydrophobicContact CG2-CG 4.28Å; V62-F67 CarbonylContact C-O 3.51Å; V62-F67 HydrophobicContact CG1-CB 3.76Å; V62-F67 PolarHBondContact O-N 2.82Å; Q63-F67 VanDerWaalsContact CA-O 3.27Å; Q63-F67 WeakPolarHBondContact CA-O 3.42Å; Q63-F67 PolarHBondContact N-O 2.77Å; I65-F67 HydrophobicContact CB-CD2 4.12Å; I65-F67 HydrophobicContact CB-CE2 4.48Å; I65-F67 HydrophobicContact CG2-CD2 4.11Å; I65-F67 HydrophobicContact CG2-CE2 3.96Å
68L86.6Confident80.2Confident116 Ų11673.1 Ų73.161%0.60739%0.385SS*.EExtended strand (participates in β ladder)trans-78.1132.3172.7-72.5169.9000109.1V10 D11V10-L68 CarbonylContact C-O 3.54Å; V10-L68 WeakPolarHBondContact CA-O 3.39Å; D11-L68 HydrophobicContact CB-CB 4.01Å; D11-L68 PolarHBondContact N-O 2.9Å
69A88.4Confident77.3Confident14 Ų1477 Ų7712%0.11643%0.426CS..EExtended strand (participates in β ladder)trans-130.1140.1-178.600000112.7H9 V10 I59 V62H9-A69 CarbonylContact O-C 3.47Å; H9-A69 WeakPolarHBondContact O-CA 3.39Å; V10-A69 HydrophobicContact CG2-CB 4.36Å; I59-A69 HydrophobicContact CG2-CB 4.38Å; I59-A69 WeakPolarHBondContact CG2-O 3.22Å; V62-A69 HydrophobicContact CB-CB 3.84Å; V62-A69 HydrophobicContact CG1-CB 3.74Å; V62-A69 HydrophobicContact CG2-CB 4.43Å
70Q88.8Confident74.6Confident137 Ų13781 Ų8164%0.6445%0.452SS*.EExtended strand (participates in β ladder)trans-132.5137.2176.6-174.5176.4-3.400110.5L8 H9 I72L8-Q70 CarbonylContact C-O 3.53Å; L8-Q70 WeakPolarHBondContact CA-O 3.24Å; H9-Q70 PolarHBondContact N-O 2.86Å; H9-Q70 PolarHBondContact O-N 2.86Å; Q70-I72 PolarHBondContact O-N 2.99Å
71L87.8Confident71.9Confident54 Ų5484.3 Ų84.328%0.28347%0.47SS..EExtended strand (participates in β ladder)trans-73.1123.3174.6-173.877.7000110.4M6 L8 A55 I59M6-L71 HydrophobicContact CB-CD1 3.99Å; L8-L71 HydrophobicContact CD2-CD1 4.25Å; A55-L71 HydrophobicContact CB-CD1 4.21Å; A55-L71 HydrophobicContact CB-CD2 3.73Å; A55-L71 HydrophobicContact CB-CG 4.43Å; I59-L71 HydrophobicContact CD1-CB 4.43Å
72I84.4Confident69.4Low94 Ų9488.2 Ų88.248%0.48250%0.502SS..EExtended strand (participates in β ladder)trans-89.2-52.2174.6-58.8163.1000110.3R7 H9 Q70R7-I72 HydrophobicContact CB-CB 4.38Å; R7-I72 HydrophobicContact CG-CB 4.44Å; R7-I72 HydrophobicContact CG-CD1 4.04Å; R7-I72 PolarHBondContact O-N 2.67Å; H9-I72 HydrophobicContact CB-CD1 3.72Å; H9-I72 HydrophobicContact CB-CG1 3.89Å; Q70-I72 PolarHBondContact O-N 2.99Å
73E81.9Confident67.2Low85 Ų8595.5 Ų95.540%0.39754%0.541SS..EExtended strand (participates in β ladder)trans-148.2137.7-168.8-159.2178.8175.500114.9M6 R7 K75M6-E73 WeakPolarHBondContact CA-O 3.27Å; R7-E73 HydrophobicContact CB-CB 4.36Å; R7-E73 PolarHBondContact N-O 3Å; R7-E73 PolarHBondContact O-N 2.88Å; E73-K75 HydrophobicContact CG-CG 4.31Å; E73-K75 WeakPolarHBondContact OE1-CE 3.37Å; E73-K75 IonicContact OE1-NZ 2.73Å; E73-K75 WeakPolarHBondContact OE2-CE 3.49Å
74T76.8Confident65.7Low61 Ų6195.8 Ų95.837%0.37455%0.545SS..EExtended strand (participates in β ladder)trans-8873.1169.9310000120.8K4 E5 M6K4-T74 HydrophobicContact CD-CG2 3.99Å; K4-T74 HydrophobicContact CG-CG2 3.96Å; E5-T74 WeakPolarHBondContact O-CG2 3.33Å; M6-T74 HydrophobicContact CB-CG2 3.9Å; M6-T74 HydrophobicContact CG-CG2 3.42Å; M6-T74 VanDerWaalsContact CG-CG2 3.42Å; M6-T74 HydrophobicContact SD-CG2 3.94Å
75K70Confident64.4Low106 Ų10692.4 Ų92.446%0.46153%0.532SS..EExtended strand (participates in β ladder)trans-94.8116.8178.3-69.9-172.7-174.1179.70112.4K4 E5 E73K4-K75 CarbonylContact C-O 3.55Å; K4-K75 WeakPolarHBondContact CA-O 3.46Å; K4-K75 WeakPolarHBondContact CG-O 3.45Å; E5-K75 HydrophobicContact CB-CB 4.23Å; E5-K75 PolarHBondContact N-O 2.79Å; E5-K75 PolarHBondContact O-N 2.81Å; E73-K75 HydrophobicContact CG-CG 4.31Å; E73-K75 WeakPolarHBondContact OE1-CE 3.37Å; E73-K75 IonicContact OE1-NZ 2.73Å; E73-K75 WeakPolarHBondContact OE2-CE 3.49Å
76A56.5Low63.9Low49 Ų4993.1 Ų93.141%0.40553%0.534SS..EExtended strand (participates in β ladder)trans-104115.6170.200000108.8H78A76-H78 PolarHBondContact O-N 3.36Å
77E42.8Very low63.6Low117 Ų11793.5 Ų93.555%0.54752%0.523SS..  trans-69.2100.4176.5-71.3-175.1138.300109.8T3T3-E77 PolarHBondContact OG1-OE2 3.21Å
78H37.2Very low63.4Low149 Ų14992.3 Ų92.369%0.6952%0.519SS*.  trans-76.7115.6155.6-87.862.9000107.2A76 T80A76-H78 PolarHBondContact O-N 3.36Å; H78-T80 PolarHBondContact O-N 3.32Å; H78-T80 PolarHBondContact O-OG1 2.9Å; H78-T80 VanDerWaalsContact O-OG1 3.05Å
79G28.8Very low63.4Low83 Ų8392.5 Ų92.586%0.85652%0.515SS*.  trans-49.6110.7172.300000110.1
80T31.1Very low63.4Low116 Ų11691.9 Ų91.971%0.71251%0.51SS*.  trans-141.5101.517333.40000106.5H78H78-T80 PolarHBondContact O-N 3.32Å; H78-T80 PolarHBondContact O-OG1 2.9Å; H78-T80 VanDerWaalsContact O-OG1 3.05Å
81D33.2Very low63.3Low160 Ų16086.5 Ų86.586%0.85649%0.487SS*.  trans38.682.6153.8-51-24.4000117.7
82A36.6Very low63.3Low91 Ų9184 Ų8475%0.75247%0.474SS*.  trans-93.523176.500000114.2
83D43.8Very low63.4Low153 Ų15384.5 Ų84.582%0.81847%0.47SS*.  trans-93.1-0.1-171.9-83.6-16.6000115.6
84D58.5Low63.3Low94 Ų9482.4 Ų82.450%0.50347%0.471SS..SBendtrans-117.56.3-172.8-73.7-33.6000117.4K132D84-K132 PolarHBondContact O-N 2.83Å; D84-K132 VanDerWaalsContact O-N 3.15Å
85L61.1Low63.7Low97 Ų9779.7 Ų79.751%0.50846%0.455SS..EExtended strand (participates in β ladder)trans-94.9126.4176.8-74.3164.7000111.8T115L85-T115 HydrophobicContact CD2-CG2 4.01Å
86E74.3Confident64.2Low77 Ų7780.5 Ų80.536%0.3647%0.469SS..EExtended strand (participates in β ladder)trans-111.1142.1176.6-162.2165.9-132.700110.8Q129 Y130 K132E86-Q129 WeakPolarHBondContact O-CA 3.43Å; E86-Y130 HydrophobicContact CB-CE1 4.4Å; E86-Y130 HydrophobicContact CB-CE2 4.05Å; E86-Y130 PolarHBondContact N-O 2.89Å; E86-Y130 PolarHBondContact O-N 3.2Å; E86-Y130 PolarHBondContact OE2-OH 2.6Å; E86-K132 HydrophobicContact CB-CD 4.5Å; E86-K132 HydrophobicContact CB-CG 3.86Å; E86-K132 WeakPolarHBondContact OE1-CE 3.42Å; E86-K132 IonicContact OE1-NZ 2.75Å
87T79.7Confident65.4Low76 Ų7680.6 Ų80.647%0.46647%0.466SS..EExtended strand (participates in β ladder)trans-108.4120.1177.4-54.10000109.7V127 I128 Q129T87-V127 HydrophobicContact CG2-CG1 3.75Å; T87-I128 CarbonylContact C-O 3.52Å; T87-I128 WeakPolarHBondContact CA-O 3.43Å; T87-Q129 HydrophobicContact CG2-CG 4.12Å; T87-Q129 PolarHBondContact OG1-NE2 3.01Å
88C82.9Confident67.2Low9 Ų982.5 Ų82.56%0.06148%0.475CS..EExtended strand (participates in β ladder)trans-104.2137.5173.5174.60000110.2I128 Y130 P137C88-I128 PolarHBondContact N-O 2.91Å; C88-I128 PolarHBondContact O-N 3.13Å; C88-Y130 HydrophobicContact CB-CD1 4.45Å; C88-Y130 HydrophobicContact CB-CE1 3.55Å; C88-P137 HydrophobicContact CB-CB 4.06Å
89K86.6Confident69.3Low121 Ų12179.4 Ų79.453%0.52647%0.47SS..EExtended strand (participates in β ladder)trans-102.6133.2166.1-66.8-170.1176-173.40108.7G126 V127 L154K89-G126 CarbonylContact C-O 3.56Å; K89-G126 WeakPolarHBondContact CA-O 3.45Å; K89-V127 HydrophobicContact CG-CG2 4.31Å; K89-L154 HydrophobicContact CB-CB 4.29Å; K89-L154 HydrophobicContact CB-CD1 4.13Å; K89-L154 WeakPolarHBondContact O-CB 3.5Å; K89-L154 PolarHBondContact O-N 2.78Å
90L87.9Confident72Confident1 Ų176.4 Ų76.41%0.00544%0.436CS..EExtended strand (participates in β ladder)trans-116.2143.7175.4-60.5109.2000110.1V92 S125 G126 I128 A141 I144 F152 V153L90-V92 HydrophobicContact CB-CG2 4.05Å; L90-S125 CarbonylContact O-C 3.53Å; L90-S125 VanDerWaalsContact O-CA 3.27Å; L90-S125 WeakPolarHBondContact O-CA 3.41Å; L90-G126 PolarHBondContact N-O 2.83Å; L90-G126 PolarHBondContact O-N 3.26Å; L90-I128 HydrophobicContact CD1-CB 4.25Å; L90-I128 HydrophobicContact CD1-CD1 3.34Å; L90-I128 HydrophobicContact CD1-CG1 3.67Å; L90-A141 HydrophobicContact CD2-CB 3.74Å; L90-I144 HydrophobicContact CD2-CD1 4.32Å; L90-F152 CarbonylContact C-O 3.57Å; L90-F152 VanDerWaalsContact CA-O 3.25Å; L90-F152 WeakPolarHBondContact CA-O 3.02Å; L90-V153 HydrophobicContact CD2-CG2 4.02Å
91S88.6Confident74.6Confident24 Ų2472.8 Ų72.817%0.16841%0.411CS..EExtended strand (participates in β ladder)trans-91.2126.1159.7-62.50000107.8Q124 A151 F152S91-Q124 CarbonylContact C-O 3.58Å; S91-Q124 WeakPolarHBondContact CA-O 3.35Å; S91-A151 CarbonylContact O-C 3.51Å; S91-A151 VanDerWaalsContact O-CA 3.25Å; S91-A151 WeakPolarHBondContact O-CA 3.38Å; S91-F152 PolarHBondContact N-O 3.3Å; S91-F152 PolarHBondContact O-N 3.38Å
92V87.8Confident77Confident0 Ų067.8 Ų67.80%039%0.391CS..EExtended strand (participates in β ladder)trans-127.4106.6-176.1-176.40000109.1L90 M95 L104 F119 Q124 I144 F149 D150 A151L90-V92 HydrophobicContact CB-CG2 4.05Å; V92-M95 HydrophobicContact CB-CE 3.8Å; V92-M95 HydrophobicContact CB-SD 4.25Å; V92-M95 HydrophobicContact CG1-CE 4.09Å; V92-M95 HydrophobicContact CG1-CG 3.98Å; V92-M95 HydrophobicContact CG1-SD 3.92Å; V92-L104 HydrophobicContact CG1-CD1 4.2Å; V92-F119 HydrophobicContact CG2-CD1 4.17Å; V92-F119 HydrophobicContact CG2-CE1 4.03Å; V92-Q124 PolarHBondContact N-O 2.89Å; V92-Q124 CarbonylContact O-C 3.59Å; V92-Q124 WeakPolarHBondContact O-CA 3.38Å; V92-Q124 WeakPolarHBondContact O-CB 3.27Å; V92-I144 HydrophobicContact CG1-CG2 3.7Å; V92-I144 HydrophobicContact CG2-CD1 4.39Å; V92-I144 HydrophobicContact CG2-CG2 4.34Å; V92-F149 HydrophobicContact CG1-CB 3.74Å; V92-F149 HydrophobicContact CG1-CG 4.42Å; V92-D150 CarbonylContact C-O 3.53Å; V92-D150 WeakPolarHBondContact CA-O 3.45Å; V92-A151 HydrophobicContact CG2-CB 4.14Å
93Y85.2Confident79.4Confident105 Ų10568.3 Ų68.341%0.41238%0.378SS..EExtended strand (participates in β ladder)trans-90.4148.5178.2-60-86.9000110.7Q124 F149 D150 F152Y93-Q124 VanDerWaalsContact CE1-OE1 3.27Å; Y93-F149 CarbonylContact O-C 3.51Å; Y93-F149 VanDerWaalsContact O-CA 3.3Å; Y93-F149 WeakPolarHBondContact O-CA 3.44Å; Y93-F149 WeakPolarHBondContact O-CB 3.43Å; Y93-D150 PolarHBondContact N-O 3.35Å; Y93-D150 PolarHBondContact O-N 2.85Å; Y93-D150 VanDerWaalsContact O-N 3.07Å; Y93-F152 HydrophobicContact CD2-CD2 4.08Å; Y93-F152 AromaticContact CD2-CE2 3.94Å; Y93-F152 HydrophobicContact CD2-CE2 3.94Å; Y93-F152 AromaticContact CE2-CD2 3.92Å; Y93-F152 HydrophobicContact CE2-CD2 3.92Å; Y93-F152 HydrophobicContact CE2-CE2 4.02Å
94G80.2Confident81.6Confident41 Ų4161 Ų6142%0.42334%0.339SS..  trans98.5-6.8179.100000115T96 F149G94-T96 PolarHBondContact O-N 2.84Å; G94-F149 VanDerWaalsContact C-CD1 3.48Å; G94-F149 WeakPolarHBondContact O-CE1 3.48Å
95M85.5Confident83.1Confident4 Ų459.5 Ų59.52%0.0233%0.329CS..  trans-72.1119.6168.5-60.1-175.1-59.500109.2V92 C100 L104 F119 D120 A121 F149V92-M95 HydrophobicContact CB-CE 3.8Å; V92-M95 HydrophobicContact CB-SD 4.25Å; V92-M95 HydrophobicContact CG1-CE 4.09Å; V92-M95 HydrophobicContact CG1-CG 3.98Å; V92-M95 HydrophobicContact CG1-SD 3.92Å; M95-C100 HydrophobicContact CB-CB 4.21Å; M95-C100 HydrophobicContact CG-CB 4.33Å; M95-L104 HydrophobicContact CG-CD1 3.66Å; M95-L104 HydrophobicContact SD-CD1 3.29Å; M95-L104 WeakPolarHBondContact SD-CD1 3.45Å; M95-F119 HydrophobicContact CE-CB 4.42Å; M95-F119 HydrophobicContact SD-CB 3.91Å; M95-F119 HydrophobicContact SD-CD1 4.23Å; M95-F119 HydrophobicContact SD-CG 4.38Å; M95-D120 WeakPolarHBondContact CE-O 3.32Å; M95-A121 HydrophobicContact CB-CB 3.89Å; M95-F149 HydrophobicContact CG-CD1 3.83Å; M95-F149 HydrophobicContact CG-CE1 3.96Å
96T80.2Confident84.3Confident123 Ų12362.9 Ų62.976%0.75534%0.34SS*.  trans-119.6-8.9-174.750.40000113.7G94G94-T96 PolarHBondContact O-N 2.84Å
97C82.5Confident84.8Confident51 Ų5160.7 Ų60.735%0.34533%0.332SS..SBendtrans-157.8166-178.964.20000111.7S99 C100 E101C97-S99 PolarHBondContact O-N 3.33Å; C97-S99 VanDerWaalsContact O-N 3.16Å; C97-S99 PolarHBondContact SG-OG 2.82Å; C97-C100 WeakPolarHBondContact O-CB 3.31Å; C97-C100 PolarHBondContact O-N 3.32Å; C97-E101 PolarHBondContact O-N 3.27Å
98Q80.1Confident85.3Confident157 Ų15757.1 Ų57.173%0.73431%0.31SS*.Hα-helixtrans-58.7-25.6176.6-69177.7-6.400113.5C100 E101 A102Q98-C100 VanDerWaalsContact C-N 3.34Å; Q98-E101 WeakPolarHBondContact O-CB 3.23Å; Q98-E101 PolarHBondContact O-N 3.18Å; Q98-A102 PolarHBondContact O-N 3.08Å
99S80.9Confident85.4Confident85 Ų8560.5 Ų60.559%0.59433%0.33SS*.Hα-helixtrans-69.4-32.2175.378.20000112.5C97 H103C97-S99 PolarHBondContact O-N 3.33Å; C97-S99 VanDerWaalsContact O-N 3.16Å; C97-S99 PolarHBondContact SG-OG 2.82Å; S99-H103 WeakPolarHBondContact O-CB 3.34Å; S99-H103 PolarHBondContact O-N 3.08Å
100C84.5Confident85.3Confident20 Ų2059.3 Ų59.314%0.13534%0.337CS..Hα-helixtrans-66.7-41.4172.4-58.20000111M95 C97 Q98 H103 L104 F149M95-C100 HydrophobicContact CB-CB 4.21Å; M95-C100 HydrophobicContact CG-CB 4.33Å; C97-C100 WeakPolarHBondContact O-CB 3.31Å; C97-C100 PolarHBondContact O-N 3.32Å; Q98-C100 VanDerWaalsContact C-N 3.34Å; C100-H103 PolarHBondContact O-N 3.28Å; C100-L104 WeakPolarHBondContact O-CB 3.47Å; C100-L104 WeakPolarHBondContact O-CG 3.43Å; C100-L104 PolarHBondContact O-N 3.14Å; C100-F149 HydrophobicContact CB-CE1 3.93Å; C100-F149 HydrophobicContact CB-CZ 3.93Å
101E87.2Confident85Confident39 Ų3966.3 Ų66.318%0.18236%0.363CS..Hα-helixtrans-58.6-56176-61.6171.1176.600110.3C97 Q98 H103 L104 E105 A121C97-E101 PolarHBondContact O-N 3.27Å; Q98-E101 WeakPolarHBondContact O-CB 3.23Å; Q98-E101 PolarHBondContact O-N 3.18Å; E101-H103 VanDerWaalsContact C-N 3.3Å; E101-H103 PolarHBondContact O-N 2.69Å; E101-L104 PolarHBondContact O-N 3.22Å; E101-E105 WeakPolarHBondContact O-CG 3.25Å; E101-E105 PolarHBondContact O-N 2.84Å; E101-A121 HydrophobicContact CG-CB 3.91Å; E101-A121 WeakPolarHBondContact OE1-CA 3.4Å; E101-A121 WeakPolarHBondContact OE1-CB 3.37Å; E101-A121 PolarHBondContact OE1-N 3.27Å
102A83.5Confident84.9Confident55 Ų5567 Ų6746%0.45536%0.364SS..Hα-helixtrans-62.1-36-179.300000112.9Q98 K106Q98-A102 PolarHBondContact O-N 3.08Å; A102-K106 VanDerWaalsContact O-CB 3.28Å; A102-K106 WeakPolarHBondContact O-CB 3.15Å; A102-K106 PolarHBondContact O-N 3.13Å
103H86.6Confident84.6Confident102 Ų10270.3 Ų70.347%0.47239%0.385SS..Hα-helixtrans-66.3-43176.3-177.2-102.2000112S99 C100 E101 T107 M147S99-H103 WeakPolarHBondContact O-CB 3.34Å; S99-H103 PolarHBondContact O-N 3.08Å; C100-H103 PolarHBondContact O-N 3.28Å; E101-H103 VanDerWaalsContact C-N 3.3Å; E101-H103 PolarHBondContact O-N 2.69Å; H103-T107 VanDerWaalsContact O-CB 3.28Å; H103-T107 WeakPolarHBondContact O-CB 3.3Å; H103-T107 PolarHBondContact O-N 3.05Å; H103-T107 PolarHBondContact O-OG1 3.45Å; H103-M147 WeakPolarHBondContact CE1-CE 3.47Å; H103-M147 WeakPolarHBondContact ND1-CE 3.24Å
104L90.3Very high84.5Confident0 Ų066.2 Ų66.20%037%0.371CS..Hα-helixtrans-66.4-45.9175.8-77.5167.2000111.5V92 M95 C100 E101 K106 T107 I108 F119 I144 M147 F149V92-L104 HydrophobicContact CG1-CD1 4.2Å; M95-L104 HydrophobicContact CG-CD1 3.66Å; M95-L104 HydrophobicContact SD-CD1 3.29Å; M95-L104 WeakPolarHBondContact SD-CD1 3.45Å; C100-L104 WeakPolarHBondContact O-CB 3.47Å; C100-L104 WeakPolarHBondContact O-CG 3.43Å; C100-L104 PolarHBondContact O-N 3.14Å; E101-L104 PolarHBondContact O-N 3.22Å; L104-K106 PolarHBondContact O-N 2.64Å; L104-T107 PolarHBondContact O-N 3.41Å; L104-I108 VanDerWaalsContact O-CB 3.27Å; L104-I108 WeakPolarHBondContact O-CB 3.5Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 3.08Å; L104-F119 HydrophobicContact CB-CD1 4.44Å; L104-F119 HydrophobicContact CB-CD2 3.63Å; L104-F119 HydrophobicContact CB-CE2 3.74Å; L104-F119 HydrophobicContact CB-CG 4.01Å; L104-F119 HydrophobicContact CB-CZ 4.21Å; L104-F119 HydrophobicContact CD1-CD1 4.29Å; L104-F119 HydrophobicContact CD1-CG 4.4Å; L104-I144 HydrophobicContact CD2-CG1 4.23Å; L104-I144 HydrophobicContact CD2-CG2 3.97Å; L104-M147 HydrophobicContact CD2-CE 4.08Å; L104-M147 HydrophobicContact CD2-SD 4.12Å; L104-F149 HydrophobicContact CD1-CD1 4.48Å; L104-F149 HydrophobicContact CD1-CD2 4.08Å; L104-F149 HydrophobicContact CD1-CE2 4.15Å; L104-F149 HydrophobicContact CD1-CG 4.25Å; L104-F149 HydrophobicContact CD1-CZ 4.39Å; L104-F149 HydrophobicContact CD2-CD2 3.81Å; L104-F149 HydrophobicContact CD2-CE2 4.02Å; L104-F149 HydrophobicContact CG-CD2 4.19Å; L104-F149 HydrophobicContact CG-CE2 4.04Å
105E90.3Very high84.5Confident62 Ų6268.5 Ų68.529%0.2938%0.377SS..Hα-helixtrans-55.5-53.2175.9-70.4-177172.800111E101 T107 T109 K118 F119E101-E105 WeakPolarHBondContact O-CG 3.25Å; E101-E105 PolarHBondContact O-N 2.84Å; E105-T107 PolarHBondContact O-N 3.18Å; E105-T109 WeakPolarHBondContact O-CB 3.3Å; E105-T109 PolarHBondContact O-N 2.94Å; E105-T109 PolarHBondContact O-OG1 3.32Å; E105-K118 WeakPolarHBondContact OE1-CA 3.35Å; E105-K118 WeakPolarHBondContact OE1-CG 3.39Å; E105-F119 HydrophobicContact CG-CD2 3.71Å; E105-F119 HydrophobicContact CG-CE2 4.45Å; E105-F119 PolarHBondContact OE1-N 2.82Å
106K85.1Confident84.4Confident168 Ų16873.3 Ų73.373%0.7340%0.395SS*.Hα-helixtrans-63.4-42.1-178.2-168176-177.2179.90112.5A102 L104 S110A102-K106 VanDerWaalsContact O-CB 3.28Å; A102-K106 WeakPolarHBondContact O-CB 3.15Å; A102-K106 PolarHBondContact O-N 3.13Å; L104-K106 PolarHBondContact O-N 2.64Å; K106-S110 VanDerWaalsContact O-CB 3.31Å; K106-S110 WeakPolarHBondContact O-CB 3.38Å; K106-S110 PolarHBondContact O-N 2.8Å; K106-S110 VanDerWaalsContact O-N 3.08Å; K106-S110 PolarHBondContact O-OG 2.8Å
107T85.9Confident84.8Confident32 Ų3268 Ų6820%0.19637%0.365CS..Hα-helixtrans-70.9-44.1-177.2-53.40000111.4H103 L104 E105 S110 R111 M147H103-T107 VanDerWaalsContact O-CB 3.28Å; H103-T107 WeakPolarHBondContact O-CB 3.3Å; H103-T107 PolarHBondContact O-N 3.05Å; H103-T107 PolarHBondContact O-OG1 3.45Å; L104-T107 PolarHBondContact O-N 3.41Å; E105-T107 PolarHBondContact O-N 3.18Å; T107-S110 PolarHBondContact O-N 2.84Å; T107-S110 PolarHBondContact O-OG 2.87Å; T107-R111 VanDerWaalsContact O-CB 3.28Å; T107-R111 WeakPolarHBondContact O-CB 3.49Å; T107-R111 PolarHBondContact O-N 2.89Å; T107-M147 VanDerWaalsContact CB-CE 3.47Å; T107-M147 HydrophobicContact CG2-CE 3.5Å; T107-M147 HydrophobicContact CG2-SD 3.7Å; T107-M147 WeakPolarHBondContact OG1-CE 3.46Å
108I89.1Confident85.1Confident1 Ų171.3 Ų71.31%0.00537%0.373CS..Hα-helixtrans-65.8-44.1-179.8-67.8-59.3000111.1L104 S110 R111 F112 V114 A117 F119 I128 I140 I144L104-I108 VanDerWaalsContact O-CB 3.27Å; L104-I108 WeakPolarHBondContact O-CB 3.5Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 3.08Å; I108-S110 PolarHBondContact O-N 2.95Å; I108-R111 PolarHBondContact O-N 3.01Å; I108-F112 HydrophobicContact CD1-CD2 4.19Å; I108-F112 HydrophobicContact CD1-CE2 4.18Å; I108-F112 PolarHBondContact O-N 2.96Å; I108-F112 VanDerWaalsContact O-N 3.1Å; I108-V114 HydrophobicContact CG2-CG2 3.9Å; I108-V114 VanDerWaalsContact O-CG2 3.31Å; I108-V114 WeakPolarHBondContact O-CG2 3.45Å; I108-A117 HydrophobicContact CG2-CB 4.09Å; I108-F119 HydrophobicContact CB-CE2 4.49Å; I108-F119 HydrophobicContact CG1-CE2 4.2Å; I108-F119 HydrophobicContact CG1-CZ 4.06Å; I108-I128 HydrophobicContact CG2-CD1 4.19Å; I108-I140 HydrophobicContact CD1-CG2 4.17Å; I108-I144 HydrophobicContact CD1-CD1 4.42Å; I108-I144 HydrophobicContact CD1-CG1 3.87Å; I108-I144 HydrophobicContact CG1-CG1 4.38Å
109T85.6Confident85.6Confident80 Ų8064 Ų6449%0.49134%0.339SS..Hα-helixtrans-63.6-29.6174.5-56.30000112.6E105E105-T109 WeakPolarHBondContact O-CB 3.3Å; E105-T109 PolarHBondContact O-N 2.94Å; E105-T109 PolarHBondContact O-OG1 3.32Å
110S83.6Confident85.9Confident96 Ų9662.7 Ų62.767%0.67133%0.325SS*.Hα-helixtrans-80.4-31.5177.274.70000114.4K106 T107 I108K106-S110 VanDerWaalsContact O-CB 3.31Å; K106-S110 WeakPolarHBondContact O-CB 3.38Å; K106-S110 PolarHBondContact O-N 2.8Å; K106-S110 VanDerWaalsContact O-N 3.08Å; K106-S110 PolarHBondContact O-OG 2.8Å; T107-S110 PolarHBondContact O-N 2.84Å; T107-S110 PolarHBondContact O-OG 2.87Å; I108-S110 PolarHBondContact O-N 2.95Å
111R82.8Confident85.8Confident147 Ų14762.6 Ų62.656%0.55533%0.326SS*.Hα-helixtrans-96.3-26.2-169.2-169.7172.6-179.2176.1-2.2113.4T107 I108T107-R111 VanDerWaalsContact O-CB 3.28Å; T107-R111 WeakPolarHBondContact O-CB 3.49Å; T107-R111 PolarHBondContact O-N 2.89Å; I108-R111 PolarHBondContact O-N 3.01Å
112F85.4Confident85.6Confident39 Ų3965.9 Ų65.917%0.17135%0.353CS..SBendtrans-125.3151.6-177-65.1-82.5000111I108 V114 D139 I140 A143I108-F112 HydrophobicContact CD1-CD2 4.19Å; I108-F112 HydrophobicContact CD1-CE2 4.18Å; I108-F112 PolarHBondContact O-N 2.96Å; I108-F112 VanDerWaalsContact O-N 3.1Å; F112-V114 HydrophobicContact CB-CG2 3.55Å; F112-V114 WeakPolarHBondContact O-CG2 2.89Å; F112-V114 PolarHBondContact O-N 2.82Å; F112-D139 HydrophobicContact CE1-CB 4.43Å; F112-I140 HydrophobicContact CD1-CG1 4.29Å; F112-I140 HydrophobicContact CD2-CG1 4.44Å; F112-I140 HydrophobicContact CE1-CG1 4.42Å; F112-I140 HydrophobicContact CG-CG1 4.3Å; F112-A143 HydrophobicContact CE2-CB 3.57Å; F112-A143 HydrophobicContact CZ-CB 3.63Å
113P81.3Confident85.5Confident69 Ų6966.2 Ų66.245%0.44835%0.352SS..  trans-73.476.2171.128.8-35.5000111.2P131 K134 C135P113-P131 WeakPolarHBondContact O-CD 3.45Å; P113-K134 HydrophobicContact CG-CB 3.93Å; P113-C135 WeakPolarHBondContact CD-SG 3.41Å; P113-C135 VanDerWaalsContact CG-SG 3.57Å
114V83.1Confident85.5Confident20 Ų2065 Ų6512%0.12135%0.346CS..  trans-105.6132.1-177-136.30000109.8I108 F112 A117 I128 Q129I108-V114 HydrophobicContact CG2-CG2 3.9Å; I108-V114 VanDerWaalsContact O-CG2 3.31Å; I108-V114 WeakPolarHBondContact O-CG2 3.45Å; F112-V114 HydrophobicContact CB-CG2 3.55Å; F112-V114 WeakPolarHBondContact O-CG2 2.89Å; F112-V114 PolarHBondContact O-N 2.82Å; V114-A117 HydrophobicContact CG1-CB 4.5Å; V114-I128 HydrophobicContact CG1-CG2 3.13Å; V114-Q129 WeakPolarHBondContact CG1-O 2.97Å
115T80.3Confident85.4Confident88 Ų8866.8 Ų66.854%0.5436%0.359SS..SBendtrans-83.1-28.6175.8380000112.3L85 Q129L85-T115 HydrophobicContact CD2-CG2 4.01Å; T115-Q129 PolarHBondContact N-O 2.87Å; T115-Q129 WeakPolarHBondContact OG1-CB 3.33Å; T115-Q129 PolarHBondContact OG1-O 3.21Å; T115-Q129 VanDerWaalsContact OG1-O 3.09Å
116Y85Confident85.2Confident105 Ų10563.9 Ų63.941%0.41235%0.345SS..EExtended strand (participates in β ladder)trans-154.2134.6179.5178.9-95.1000110.4K118 I128 Q129Y116-K118 HydrophobicContact CE1-CB 3.88Å; Y116-K118 VanDerWaalsContact OH-CD 3.23Å; Y116-K118 WeakPolarHBondContact OH-CD 3.44Å; Y116-I128 CarbonylContact O-C 3.58Å; Y116-I128 WeakPolarHBondContact O-CA 3.44Å; Y116-Q129 HydrophobicContact CD1-CG 4.33Å; Y116-Q129 PolarHBondContact O-N 2.9Å
117A87.2Confident85.4Confident13 Ų1358.1 Ų58.111%0.10732%0.324CS..EExtended strand (participates in β ladder)trans-143.4127.1173.100000109I108 V114 F119 V127 I128I108-A117 HydrophobicContact CG2-CB 4.09Å; V114-A117 HydrophobicContact CG1-CB 4.5Å; A117-F119 HydrophobicContact CB-CE2 4.4Å; A117-V127 WeakPolarHBondContact CA-O 3.39Å; A117-I128 HydrophobicContact CB-CG1 4.33Å
118K89.6Confident85.5Confident119 Ų11956.6 Ų56.652%0.51732%0.315SS..EExtended strand (participates in β ladder)trans-139.2134.1177.2-170.4163.2-171.31710110.7E105 Y116 G126 V127E105-K118 WeakPolarHBondContact OE1-CA 3.35Å; E105-K118 WeakPolarHBondContact OE1-CG 3.39Å; Y116-K118 HydrophobicContact CE1-CB 3.88Å; Y116-K118 VanDerWaalsContact OH-CD 3.23Å; Y116-K118 WeakPolarHBondContact OH-CD 3.44Å; K118-G126 CarbonylContact O-C 3.42Å; K118-G126 VanDerWaalsContact O-CA 3.26Å; K118-G126 WeakPolarHBondContact O-CA 3.4Å; K118-V127 PolarHBondContact N-O 2.8Å; K118-V127 PolarHBondContact O-N 3.42Å
119F90.9Very high85.3Confident5 Ų560.1 Ų60.12%0.02233%0.331CS..EExtended strand (participates in β ladder)trans-120.6149-179.7-64.4-87.5000111V92 M95 L104 E105 I108 A117 I128 I144V92-F119 HydrophobicContact CG2-CD1 4.17Å; V92-F119 HydrophobicContact CG2-CE1 4.03Å; M95-F119 HydrophobicContact CE-CB 4.42Å; M95-F119 HydrophobicContact SD-CB 3.91Å; M95-F119 HydrophobicContact SD-CD1 4.23Å; M95-F119 HydrophobicContact SD-CG 4.38Å; L104-F119 HydrophobicContact CB-CD1 4.44Å; L104-F119 HydrophobicContact CB-CD2 3.63Å; L104-F119 HydrophobicContact CB-CE2 3.74Å; L104-F119 HydrophobicContact CB-CG 4.01Å; L104-F119 HydrophobicContact CB-CZ 4.21Å; L104-F119 HydrophobicContact CD1-CD1 4.29Å; L104-F119 HydrophobicContact CD1-CG 4.4Å; E105-F119 HydrophobicContact CG-CD2 3.71Å; E105-F119 HydrophobicContact CG-CE2 4.45Å; E105-F119 PolarHBondContact OE1-N 2.82Å; I108-F119 HydrophobicContact CB-CE2 4.49Å; I108-F119 HydrophobicContact CG1-CE2 4.2Å; I108-F119 HydrophobicContact CG1-CZ 4.06Å; A117-F119 HydrophobicContact CB-CE2 4.4Å; F119-I128 HydrophobicContact CE1-CD1 4.47Å; F119-I128 HydrophobicContact CZ-CD1 3.9Å; F119-I128 HydrophobicContact CZ-CG1 4.43Å; F119-I144 HydrophobicContact CE1-CD1 3.87Å; F119-I144 HydrophobicContact CZ-CD1 3.96Å
120D86.3Confident85.2Confident57 Ų5756.6 Ų56.631%0.30531%0.309SS..EExtended strand (participates in β ladder)trans-136.1110.5-178.8174.711000109.1M95 S122 S123 Q124 S125M95-D120 WeakPolarHBondContact CE-O 3.32Å; D120-S122 VanDerWaalsContact C-N 3.27Å; D120-S122 VanDerWaalsContact CG-OG 3.31Å; D120-S122 PolarHBondContact O-N 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.4Å; D120-S122 PolarHBondContact OD1-N 3.28Å; D120-S122 PolarHBondContact OD1-OG 2.66Å; D120-S122 PolarHBondContact OD2-OG 2.77Å; D120-S123 WeakPolarHBondContact CB-OG 3.41Å; D120-S123 PolarHBondContact OD1-N 3.01Å; D120-S123 WeakPolarHBondContact OD2-CB 3.38Å; D120-S123 PolarHBondContact OD2-OG 3.17Å; D120-Q124 WeakPolarHBondContact O-CA 3.45Å; D120-Q124 PolarHBondContact O-N 3.25Å; D120-S125 PolarHBondContact N-O 2.86Å; D120-S125 PolarHBondContact O-N 3.46Å; D120-S125 VanDerWaalsContact O-N 3.14Å
121A83.7Confident85Confident18 Ų1853.6 Ų53.615%0.14929%0.287CS..THydrogen-bonded Turntrans-68.8-27.2179.700000111.8M95 E101M95-A121 HydrophobicContact CB-CB 3.89Å; E101-A121 HydrophobicContact CG-CB 3.91Å; E101-A121 WeakPolarHBondContact OE1-CA 3.4Å; E101-A121 WeakPolarHBondContact OE1-CB 3.37Å; E101-A121 PolarHBondContact OE1-N 3.27Å
122S81.5Confident84.5Confident108 Ų10852.1 Ų52.176%0.75529%0.285SS*.THydrogen-bonded Turntrans-71.3-37.6178.774.30000112.1D120D120-S122 VanDerWaalsContact C-N 3.27Å; D120-S122 VanDerWaalsContact CG-OG 3.31Å; D120-S122 PolarHBondContact O-N 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.4Å; D120-S122 PolarHBondContact OD1-N 3.28Å; D120-S122 PolarHBondContact OD1-OG 2.66Å; D120-S122 PolarHBondContact OD2-OG 2.77Å
123S82.1Confident84Confident61 Ų6157.9 Ų57.943%0.42731%0.312SS..THydrogen-bonded Turntrans-96-0.5175.963.50000114.2D120 S125D120-S123 WeakPolarHBondContact CB-OG 3.41Å; D120-S123 PolarHBondContact OD1-N 3.01Å; D120-S123 WeakPolarHBondContact OD2-CB 3.38Å; D120-S123 PolarHBondContact OD2-OG 3.17Å; S123-S125 PolarHBondContact O-N 2.91Å; S123-S125 PolarHBondContact OG-OG 2.94Å
124Q85.6Confident83.6Confident77 Ų7761.8 Ų61.836%0.3632%0.322SS..THydrogen-bonded Turntrans4744.4-173.5-67.8-174.1-2000111.9S91 V92 Y93 D120S91-Q124 CarbonylContact C-O 3.58Å; S91-Q124 WeakPolarHBondContact CA-O 3.35Å; V92-Q124 PolarHBondContact N-O 2.89Å; V92-Q124 CarbonylContact O-C 3.59Å; V92-Q124 WeakPolarHBondContact O-CA 3.38Å; V92-Q124 WeakPolarHBondContact O-CB 3.27Å; Y93-Q124 VanDerWaalsContact CE1-OE1 3.27Å; D120-Q124 WeakPolarHBondContact O-CA 3.45Å; D120-Q124 PolarHBondContact O-N 3.25Å
125S88.6Confident83Confident37 Ų3761.7 Ų61.726%0.25932%0.322SS..EExtended strand (participates in β ladder)trans-137.3158.5-174.478.50000112.4L90 D120 S123L90-S125 CarbonylContact O-C 3.53Å; L90-S125 VanDerWaalsContact O-CA 3.27Å; L90-S125 WeakPolarHBondContact O-CA 3.41Å; D120-S125 PolarHBondContact N-O 2.86Å; D120-S125 PolarHBondContact O-N 3.46Å; D120-S125 VanDerWaalsContact O-N 3.14Å; S123-S125 PolarHBondContact O-N 2.91Å; S123-S125 PolarHBondContact OG-OG 2.94Å
126G86.9Confident83.2Confident1 Ų160.5 Ų60.51%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-139.6145.3176.100000111.4K89 L90 K118K89-G126 CarbonylContact C-O 3.56Å; K89-G126 WeakPolarHBondContact CA-O 3.45Å; L90-G126 PolarHBondContact N-O 2.83Å; L90-G126 PolarHBondContact O-N 3.26Å; K118-G126 CarbonylContact O-C 3.42Å; K118-G126 VanDerWaalsContact O-CA 3.26Å; K118-G126 WeakPolarHBondContact O-CA 3.4Å
127V88.4Confident83Confident48 Ų4856.4 Ų56.429%0.29130%0.299SS..EExtended strand (participates in β ladder)trans-121.3127.8176.8-175.30000109.2T87 K89 A117 K118T87-V127 HydrophobicContact CG2-CG1 3.75Å; K89-V127 HydrophobicContact CG-CG2 4.31Å; A117-V127 WeakPolarHBondContact CA-O 3.39Å; K118-V127 PolarHBondContact N-O 2.8Å; K118-V127 PolarHBondContact O-N 3.42Å
128I88.6Confident82.9Confident0 Ų061.3 Ų61.30%032%0.32CS..EExtended strand (participates in β ladder)trans-133.1132.6-172.4-56.8-173.8000110.6T87 C88 L90 I108 V114 Y116 A117 F119 Y130 I140T87-I128 CarbonylContact C-O 3.52Å; T87-I128 WeakPolarHBondContact CA-O 3.43Å; C88-I128 PolarHBondContact N-O 2.91Å; C88-I128 PolarHBondContact O-N 3.13Å; L90-I128 HydrophobicContact CD1-CB 4.25Å; L90-I128 HydrophobicContact CD1-CD1 3.34Å; L90-I128 HydrophobicContact CD1-CG1 3.67Å; I108-I128 HydrophobicContact CG2-CD1 4.19Å; V114-I128 HydrophobicContact CG1-CG2 3.13Å; Y116-I128 CarbonylContact O-C 3.58Å; Y116-I128 WeakPolarHBondContact O-CA 3.44Å; A117-I128 HydrophobicContact CB-CG1 4.33Å; F119-I128 HydrophobicContact CE1-CD1 4.47Å; F119-I128 HydrophobicContact CZ-CD1 3.9Å; F119-I128 HydrophobicContact CZ-CG1 4.43Å; I128-Y130 HydrophobicContact CG2-CD1 4.46Å; I128-I140 HydrophobicContact CD1-CG2 3.52Å; I128-I140 HydrophobicContact CG2-CD1 4.22Å
129Q85.1Confident82.7Confident74 Ų7459.8 Ų59.835%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-111.2127.5172.6-61.2-174-34.700110.9E86 T87 V114 T115 Y116E86-Q129 WeakPolarHBondContact O-CA 3.43Å; T87-Q129 HydrophobicContact CG2-CG 4.12Å; T87-Q129 PolarHBondContact OG1-NE2 3.01Å; V114-Q129 WeakPolarHBondContact CG1-O 2.97Å; T115-Q129 PolarHBondContact N-O 2.87Å; T115-Q129 WeakPolarHBondContact OG1-CB 3.33Å; T115-Q129 PolarHBondContact OG1-O 3.21Å; T115-Q129 VanDerWaalsContact OG1-O 3.09Å; Y116-Q129 HydrophobicContact CD1-CG 4.33Å; Y116-Q129 PolarHBondContact O-N 2.9Å
130Y84.2Confident82.5Confident7 Ų759.7 Ų59.73%0.02732%0.317CS..EExtended strand (participates in β ladder)trans-142153.1-17659.9-83.2000111.2E86 C88 I128 C135 P137E86-Y130 HydrophobicContact CB-CE1 4.4Å; E86-Y130 HydrophobicContact CB-CE2 4.05Å; E86-Y130 PolarHBondContact N-O 2.89Å; E86-Y130 PolarHBondContact O-N 3.2Å; E86-Y130 PolarHBondContact OE2-OH 2.6Å; C88-Y130 HydrophobicContact CB-CD1 4.45Å; C88-Y130 HydrophobicContact CB-CE1 3.55Å; I128-Y130 HydrophobicContact CG2-CD1 4.46Å; Y130-C135 HydrophobicContact CD2-CB 3.88Å; Y130-C135 WeakPolarHBondContact CD2-O 3.5Å; Y130-C135 WeakPolarHBondContact CE2-O 3.39Å; Y130-C135 HydrophobicContact CG-CB 4.15Å; Y130-P137 HydrophobicContact CE1-CB 4.38Å
131P79.6Confident82.7Confident32 Ų3257.4 Ų57.421%0.20831%0.306CS..EExtended strand (participates in β ladder)trans-75.3129.9171.312.4-3.6000110.9P113 E133 K134 C135P113-P131 WeakPolarHBondContact O-CD 3.45Å; P131-E133 PolarHBondContact O-N 3.29Å; P131-E133 VanDerWaalsContact O-N 3.14Å; P131-K134 HydrophobicContact CG-CB 4.3Å; P131-K134 HydrophobicContact CG-CD 4.49Å; P131-K134 PolarHBondContact O-N 3.06Å; P131-K134 VanDerWaalsContact O-N 3.11Å; P131-C135 PolarHBondContact O-N 3.49Å
132K72.1Confident82.8Confident116 Ų11662.9 Ų62.950%0.50433%0.326SS..THydrogen-bonded Turntrans-55.6-32.3-177-77.8-177.6172.9175.40114.2D84 E86 K134D84-K132 PolarHBondContact O-N 2.83Å; D84-K132 VanDerWaalsContact O-N 3.15Å; E86-K132 HydrophobicContact CB-CD 4.5Å; E86-K132 HydrophobicContact CB-CG 3.86Å; E86-K132 WeakPolarHBondContact OE1-CE 3.42Å; E86-K132 IonicContact OE1-NZ 2.75Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K132-K134 PolarHBondContact O-N 3.43Å
133E73.5Confident83.1Confident161 Ų16157.9 Ų57.975%0.75229%0.292SS*.THydrogen-bonded Turntrans-77.1-15.9-176.5-58.6-170.3153.100114P131P131-E133 PolarHBondContact O-N 3.29Å; P131-E133 VanDerWaalsContact O-N 3.14Å
134K72.9Confident83.5Confident150 Ų15055 Ų5565%0.65227%0.272SS*.THydrogen-bonded Turntrans-123.3-9.5-167.2-64-176.8-179.1174.50115.1P113 P131 K132P113-K134 HydrophobicContact CG-CB 3.93Å; P131-K134 HydrophobicContact CG-CB 4.3Å; P131-K134 HydrophobicContact CG-CD 4.49Å; P131-K134 PolarHBondContact O-N 3.06Å; P131-K134 VanDerWaalsContact O-N 3.11Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K132-K134 PolarHBondContact O-N 3.43Å
135C72.2Confident83.6Confident18 Ų1854.2 Ų54.212%0.12227%0.272CS..  trans-149.4139.7-177.6-940000112.7P113 Y130 P131P113-C135 WeakPolarHBondContact CD-SG 3.41Å; P113-C135 VanDerWaalsContact CG-SG 3.57Å; Y130-C135 HydrophobicContact CD2-CB 3.88Å; Y130-C135 WeakPolarHBondContact CD2-O 3.5Å; Y130-C135 WeakPolarHBondContact CE2-O 3.39Å; Y130-C135 HydrophobicContact CG-CB 4.15Å; P131-C135 PolarHBondContact O-N 3.49Å
136N82.6Confident83.4Confident63 Ų6357.9 Ų57.934%0.33729%0.289SS..  trans-105129.7170.7-180-0.8000109.4Q138 D139 I140N136-Q138 PolarHBondContact ND2-OE1 2.93Å; N136-Q138 PolarHBondContact O-N 3.37Å; N136-Q138 VanDerWaalsContact O-N 3.17Å; N136-Q138 PolarHBondContact OD1-N 3.37Å; N136-D139 PolarHBondContact O-N 2.8Å; N136-D139 VanDerWaalsContact O-N 3.09Å; N136-I140 PolarHBondContact O-N 2.96Å
137P82.3Confident83.3Confident19 Ų1960 Ų6012%0.12330%0.299CS..Hα-helixtrans-59.3-25.9179.122.7-35.1000114.1C88 Y130 I140 A141 V153C88-P137 HydrophobicContact CB-CB 4.06Å; Y130-P137 HydrophobicContact CE1-CB 4.38Å; P137-I140 PolarHBondContact O-N 2.9Å; P137-A141 PolarHBondContact O-N 3.28Å; P137-A141 VanDerWaalsContact O-N 3.11Å; P137-V153 HydrophobicContact CB-CG1 4.36Å; P137-V153 HydrophobicContact CB-CG2 4.12Å
138Q84.4Confident83Confident117 Ų11760.8 Ų60.855%0.54732%0.317SS..Hα-helixtrans-69.3-34.9176.3-69.2162.6-10.800112.6N136 I140 A141 K142N136-Q138 PolarHBondContact ND2-OE1 2.93Å; N136-Q138 PolarHBondContact O-N 3.37Å; N136-Q138 VanDerWaalsContact O-N 3.17Å; N136-Q138 PolarHBondContact OD1-N 3.37Å; Q138-I140 VanDerWaalsContact C-N 3.31Å; Q138-A141 PolarHBondContact O-N 3Å; Q138-K142 WeakPolarHBondContact O-CB 3.48Å; Q138-K142 PolarHBondContact O-N 3.01Å
139D85.8Confident83Confident87 Ų8761.8 Ų61.847%0.46532%0.321SS..Hα-helixtrans-69.7-33.8177.5-66.7-31.1000111.2F112 N136 A143F112-D139 HydrophobicContact CE1-CB 4.43Å; N136-D139 PolarHBondContact O-N 2.8Å; N136-D139 VanDerWaalsContact O-N 3.09Å; D139-A143 WeakPolarHBondContact O-CB 3.42Å; D139-A143 PolarHBondContact O-N 3.49Å
140I87.3Confident83Confident2 Ų262.9 Ų62.91%0.0133%0.329CS..Hα-helixtrans-67.5-46.9174.5-59.1173.9000110.4I108 F112 I128 N136 P137 Q138 K142 A143 I144I108-I140 HydrophobicContact CD1-CG2 4.17Å; F112-I140 HydrophobicContact CD1-CG1 4.29Å; F112-I140 HydrophobicContact CD2-CG1 4.44Å; F112-I140 HydrophobicContact CE1-CG1 4.42Å; F112-I140 HydrophobicContact CG-CG1 4.3Å; I128-I140 HydrophobicContact CD1-CG2 3.52Å; I128-I140 HydrophobicContact CG2-CD1 4.22Å; N136-I140 PolarHBondContact O-N 2.96Å; P137-I140 PolarHBondContact O-N 2.9Å; Q138-I140 VanDerWaalsContact C-N 3.31Å; I140-K142 VanDerWaalsContact C-N 3.31Å; I140-K142 PolarHBondContact O-N 3.39Å; I140-A143 PolarHBondContact O-N 3.36Å; I140-I144 HydrophobicContact CG2-CD1 4.07Å; I140-I144 VanDerWaalsContact O-CG1 3.32Å; I140-I144 WeakPolarHBondContact O-CG1 3.4Å; I140-I144 PolarHBondContact O-N 3.01Å
141A88.9Confident83.2Confident10 Ų1063 Ų638%0.08333%0.331CS..Hα-helixtrans-60-40.8175.900000112.1L90 P137 Q138 I144 T145 A151 V153L90-A141 HydrophobicContact CD2-CB 3.74Å; P137-A141 PolarHBondContact O-N 3.28Å; P137-A141 VanDerWaalsContact O-N 3.11Å; Q138-A141 PolarHBondContact O-N 3Å; A141-I144 PolarHBondContact O-N 3.43Å; A141-T145 PolarHBondContact O-N 2.97Å; A141-T145 PolarHBondContact O-OG1 2.87Å; A141-A151 HydrophobicContact CB-CB 4.31Å; A141-V153 HydrophobicContact CB-CG2 3.99Å
142K87Confident83.6Confident132 Ų13267.2 Ų67.257%0.57435%0.347SS*.Hα-helixtrans-64-42.8175.5-169.2177.7179.7-176.60111.9Q138 I140 I144 T145 D146Q138-K142 WeakPolarHBondContact O-CB 3.48Å; Q138-K142 PolarHBondContact O-N 3.01Å; I140-K142 VanDerWaalsContact C-N 3.31Å; I140-K142 PolarHBondContact O-N 3.39Å; K142-I144 VanDerWaalsContact C-N 3.32Å; K142-I144 PolarHBondContact O-N 3.16Å; K142-T145 WeakPolarHBondContact O-CB 3.31Å; K142-T145 PolarHBondContact O-N 3.04Å; K142-T145 VanDerWaalsContact O-N 3.16Å; K142-D146 VanDerWaalsContact O-CG 3.26Å; K142-D146 PolarHBondContact O-N 2.89Å
143A87.4Confident84.2Confident4 Ų463.4 Ų63.43%0.03333%0.333CS..Hα-helixtrans-63.8-35.8176.300000112.9F112 D139 I140 D146 M147F112-A143 HydrophobicContact CE2-CB 3.57Å; F112-A143 HydrophobicContact CZ-CB 3.63Å; D139-A143 WeakPolarHBondContact O-CB 3.42Å; D139-A143 PolarHBondContact O-N 3.49Å; I140-A143 PolarHBondContact O-N 3.36Å; A143-D146 PolarHBondContact O-N 2.98Å; A143-M147 VanDerWaalsContact O-CG 3.25Å; A143-M147 WeakPolarHBondContact O-CG 3.37Å; A143-M147 PolarHBondContact O-N 3.39Å
144I90Very high84.4Confident0 Ų060.1 Ų60.10%032%0.32CS..Hα-helixtrans-67.7-39.2174-64167.1000110.6L90 V92 L104 I108 F119 I140 A141 K142 M147 F149 A151L90-I144 HydrophobicContact CD2-CD1 4.32Å; V92-I144 HydrophobicContact CG1-CG2 3.7Å; V92-I144 HydrophobicContact CG2-CD1 4.39Å; V92-I144 HydrophobicContact CG2-CG2 4.34Å; L104-I144 HydrophobicContact CD2-CG1 4.23Å; L104-I144 HydrophobicContact CD2-CG2 3.97Å; I108-I144 HydrophobicContact CD1-CD1 4.42Å; I108-I144 HydrophobicContact CD1-CG1 3.87Å; I108-I144 HydrophobicContact CG1-CG1 4.38Å; F119-I144 HydrophobicContact CE1-CD1 3.87Å; F119-I144 HydrophobicContact CZ-CD1 3.96Å; I140-I144 HydrophobicContact CG2-CD1 4.07Å; I140-I144 VanDerWaalsContact O-CG1 3.32Å; I140-I144 WeakPolarHBondContact O-CG1 3.4Å; I140-I144 PolarHBondContact O-N 3.01Å; A141-I144 PolarHBondContact O-N 3.43Å; K142-I144 VanDerWaalsContact C-N 3.32Å; K142-I144 PolarHBondContact O-N 3.16Å; I144-M147 WeakPolarHBondContact O-CB 3.46Å; I144-M147 PolarHBondContact O-N 3.16Å; I144-M147 VanDerWaalsContact O-N 3.09Å; I144-F149 CarbonylContact C-O 3.56Å; I144-F149 VanDerWaalsContact C-O 3.31Å; I144-F149 HydrophobicContact CG2-CB 3.72Å; I144-F149 PolarHBondContact O-N 2.86Å; I144-F149 VanDerWaalsContact O-O 3.14Å; I144-A151 HydrophobicContact CB-CB 3.72Å; I144-A151 HydrophobicContact CD1-CB 4.35Å; I144-A151 HydrophobicContact CG2-CB 3.57Å
145T88.9Confident83.7Confident61 Ų6160.4 Ų60.437%0.37432%0.323SS..Hα-helixtrans-63.1-41.7174.4-49.60000111.8A141 K142 M147 G148 F149A141-T145 PolarHBondContact O-N 2.97Å; A141-T145 PolarHBondContact O-OG1 2.87Å; K142-T145 WeakPolarHBondContact O-CB 3.31Å; K142-T145 PolarHBondContact O-N 3.04Å; K142-T145 VanDerWaalsContact O-N 3.16Å; T145-M147 PolarHBondContact O-N 2.93Å; T145-G148 PolarHBondContact O-N 2.81Å; T145-F149 WeakPolarHBondContact CA-O 3.22Å; T145-F149 PolarHBondContact N-O 2.98Å
146D84.6Confident82Confident113 Ų11369.3 Ų69.360%0.60436%0.36SS*.Hα-helixtrans-65.1-21.2174.8-67.2-18.7000112.6K142 A143 G148K142-D146 VanDerWaalsContact O-CG 3.26Å; K142-D146 PolarHBondContact O-N 2.89Å; A143-D146 PolarHBondContact O-N 2.98Å; D146-G148 VanDerWaalsContact C-N 3.3Å
147M84.8Confident79.6Confident46 Ų4675.5 Ų75.523%0.22739%0.387CS..THydrogen-bonded Turntrans-84.90.5174.4-68.3173.273.700113.4H103 L104 T107 A143 I144 T145 F149H103-M147 WeakPolarHBondContact CE1-CE 3.47Å; H103-M147 WeakPolarHBondContact ND1-CE 3.24Å; L104-M147 HydrophobicContact CD2-CE 4.08Å; L104-M147 HydrophobicContact CD2-SD 4.12Å; T107-M147 VanDerWaalsContact CB-CE 3.47Å; T107-M147 HydrophobicContact CG2-CE 3.5Å; T107-M147 HydrophobicContact CG2-SD 3.7Å; T107-M147 WeakPolarHBondContact OG1-CE 3.46Å; A143-M147 VanDerWaalsContact O-CG 3.25Å; A143-M147 WeakPolarHBondContact O-CG 3.37Å; A143-M147 PolarHBondContact O-N 3.39Å; I144-M147 WeakPolarHBondContact O-CB 3.46Å; I144-M147 PolarHBondContact O-N 3.16Å; I144-M147 VanDerWaalsContact O-N 3.09Å; T145-M147 PolarHBondContact O-N 2.93Å; M147-F149 HydrophobicContact CB-CD2 4.06Å; M147-F149 HydrophobicContact CB-CE2 4.39Å
148G80.7Confident76.9Confident64 Ų6479.6 Ų79.666%0.6642%0.416SS*.THydrogen-bonded Turntrans92.516178.600000115.1T145 D146T145-G148 PolarHBondContact O-N 2.81Å; D146-G148 VanDerWaalsContact C-N 3.3Å
149F88.6Confident74.1Confident22 Ų2278.8 Ų78.810%0.09642%0.424CS..  trans-120.1121.5176.8-56.7-82.8000110.6V92 Y93 G94 M95 C100 L104 I144 T145 M147 A151V92-F149 HydrophobicContact CG1-CB 3.74Å; V92-F149 HydrophobicContact CG1-CG 4.42Å; Y93-F149 CarbonylContact O-C 3.51Å; Y93-F149 VanDerWaalsContact O-CA 3.3Å; Y93-F149 WeakPolarHBondContact O-CA 3.44Å; Y93-F149 WeakPolarHBondContact O-CB 3.43Å; G94-F149 VanDerWaalsContact C-CD1 3.48Å; G94-F149 WeakPolarHBondContact O-CE1 3.48Å; M95-F149 HydrophobicContact CG-CD1 3.83Å; M95-F149 HydrophobicContact CG-CE1 3.96Å; C100-F149 HydrophobicContact CB-CE1 3.93Å; C100-F149 HydrophobicContact CB-CZ 3.93Å; L104-F149 HydrophobicContact CD1-CD1 4.48Å; L104-F149 HydrophobicContact CD1-CD2 4.08Å; L104-F149 HydrophobicContact CD1-CE2 4.15Å; L104-F149 HydrophobicContact CD1-CG 4.25Å; L104-F149 HydrophobicContact CD1-CZ 4.39Å; L104-F149 HydrophobicContact CD2-CD2 3.81Å; L104-F149 HydrophobicContact CD2-CE2 4.02Å; L104-F149 HydrophobicContact CG-CD2 4.19Å; L104-F149 HydrophobicContact CG-CE2 4.04Å; I144-F149 CarbonylContact C-O 3.56Å; I144-F149 VanDerWaalsContact C-O 3.31Å; I144-F149 HydrophobicContact CG2-CB 3.72Å; I144-F149 PolarHBondContact O-N 2.86Å; I144-F149 VanDerWaalsContact O-O 3.14Å; T145-F149 WeakPolarHBondContact CA-O 3.22Å; T145-F149 PolarHBondContact N-O 2.98Å; M147-F149 HydrophobicContact CB-CD2 4.06Å; M147-F149 HydrophobicContact CB-CE2 4.39Å; F149-A151 PolarHBondContact O-N 2.85Å; F149-A151 VanDerWaalsContact O-N 3.17Å
150D85.9Confident71.3Confident97 Ų9784.3 Ų84.352%0.51944%0.443SS..EExtended strand (participates in β ladder)trans-69.8115.6-179.3-58.2-51000110.6V92 Y93 F152V92-D150 CarbonylContact C-O 3.53Å; V92-D150 WeakPolarHBondContact CA-O 3.45Å; Y93-D150 PolarHBondContact N-O 3.35Å; Y93-D150 PolarHBondContact O-N 2.85Å; Y93-D150 VanDerWaalsContact O-N 3.07Å; D150-F152 HydrophobicContact CB-CE2 4.12Å
151A88Confident68.3Low8 Ų888.9 Ų88.97%0.06648%0.482CS..EExtended strand (participates in β ladder)trans-121135.2-174.900000114.2S91 V92 A141 I144 F149S91-A151 CarbonylContact O-C 3.51Å; S91-A151 VanDerWaalsContact O-CA 3.25Å; S91-A151 WeakPolarHBondContact O-CA 3.38Å; V92-A151 HydrophobicContact CG2-CB 4.14Å; A141-A151 HydrophobicContact CB-CB 4.31Å; I144-A151 HydrophobicContact CB-CB 3.72Å; I144-A151 HydrophobicContact CD1-CB 4.35Å; I144-A151 HydrophobicContact CG2-CB 3.57Å; F149-A151 PolarHBondContact O-N 2.85Å; F149-A151 VanDerWaalsContact O-N 3.17Å
152F88.4Confident65.4Low121 Ų12196.1 Ų96.153%0.53152%0.519SS..EExtended strand (participates in β ladder)trans-132.4137.1-179.5-53.8-86000111.5L90 S91 Y93 D150L90-F152 CarbonylContact C-O 3.57Å; L90-F152 VanDerWaalsContact CA-O 3.25Å; L90-F152 WeakPolarHBondContact CA-O 3.02Å; S91-F152 PolarHBondContact N-O 3.3Å; S91-F152 PolarHBondContact O-N 3.38Å; Y93-F152 HydrophobicContact CD2-CD2 4.08Å; Y93-F152 AromaticContact CD2-CE2 3.94Å; Y93-F152 HydrophobicContact CD2-CE2 3.94Å; Y93-F152 AromaticContact CE2-CD2 3.92Å; Y93-F152 HydrophobicContact CE2-CD2 3.92Å; Y93-F152 HydrophobicContact CE2-CE2 4.02Å; D150-F152 HydrophobicContact CB-CE2 4.12Å
153V84.6Confident62.4Low36 Ų3695.7 Ų95.722%0.21853%0.531CS..EExtended strand (participates in β ladder)trans-81.8129.2178.2175.20000110.8L90 P137 A141L90-V153 HydrophobicContact CD2-CG2 4.02Å; P137-V153 HydrophobicContact CB-CG1 4.36Å; P137-V153 HydrophobicContact CB-CG2 4.12Å; A141-V153 HydrophobicContact CB-CG2 3.99Å
154L77.3Confident59.4Low93 Ų93101.1 Ų101.149%0.48756%0.564SS.*EExtended strand (participates in β ladder)trans-92.3106.3175.6-63169.5000110.4K89K89-L154 HydrophobicContact CB-CB 4.29Å; K89-L154 HydrophobicContact CB-CD1 4.13Å; K89-L154 WeakPolarHBondContact O-CB 3.5Å; K89-L154 PolarHBondContact O-N 2.78Å
155H57.7Low56.3Low155 Ų155108.1 Ų108.172%0.71860%0.602SS**  trans-77.7132.5174.4-79.1-71.2000112E157H155-E157 PolarHBondContact O-N 3.24Å
156K36.6Very low53.3Low206 Ų206112.2 Ų112.290%0.89663%0.626SS**  trans-77.8107.7171.1-89.6-179.2174.6175.30110.1
157E31.6Very low50.5Low193 Ų193112.7 Ų112.790%0.90263%0.633SS**  trans-82.5136.7159.9-78.9-175.8161.800110.8H155H155-E157 PolarHBondContact O-N 3.24Å
158S27Very low47.8Very low104 Ų104120.5 Ų120.573%0.72767%0.666SS**  trans-69.1136-176.553.10000113.8
159S25.9Very low45.1Very low101 Ų101128.8 Ų128.871%0.70668%0.677SS**  trans51.7127.6143.865.40000120.7
160K26.4Very low42.2Very low202 Ų202136.1 Ų136.188%0.87871%0.712SS**  trans97.4111.3160.1-66.4-179.2175.3175.70117D162K160-D162 PolarHBondContact O-N 2.76Å
161A24.8Very low39.5Very low99 Ų99137.7 Ų137.782%0.81873%0.727SS**  trans-0.9110.5142.700000116.3
162D26.4Very low36.7Very low162 Ų162144.8 Ų144.887%0.86676%0.764SS**  -164.1139.1112.4-118.6-22.6000109K160K160-D162 PolarHBondContact O-N 2.76Å
163C24.2Very low34.2Very low123 Ų123148 Ų14883%0.83178%0.778SS**  trans-100.593.7-171-162.30000108.7
164T25.4Very low31.6Very low118 Ų118153.9 Ų153.972%0.72481%0.808SS**  trans-170.7129.2161.536.30000111.2
165D24.7Very low29.2Very low147 Ų147153 Ų15379%0.78682%0.821SS**  trans48.3112.1149-57.6-25000120.5
166V26.6Very low27.9Very low147 Ų147157.2 Ų157.289%0.89183%0.831SS**  trans-135.3110.8149.3-170.80000111.9
167V25.3Very low27.3Very low123 Ų123156.5 Ų156.575%0.74583%0.831SS**PPolyproline II helixtrans-74.2138.5170.51690000110.3
168F27.6Very low27.1Very low209 Ų209151.5 Ų151.592%0.91782%0.822SS**PPolyproline II helixtrans-81.6118.8162.1-96-83.8000110.8
169R24.5Very low27.1Very low238 Ų238155.8 Ų155.890%0.89883%0.828SS**PPolyproline II helixtrans-74133.1-178.6-135.6174.4-173.11641.2111.1
170Q27.8Very low27.1Very low177 Ų177156.7 Ų156.783%0.82783%0.829SS**  trans-106.5153.7155.3-84.3-176.6-14.400109
171P29.3Very low27.3Very low129 Ų129150.8 Ų150.884%0.83883%0.825SS**  trans-77.9145.2-172.531.7-32.7000113
172D29.6Very low27.4Very low157 Ų157151.7 Ų151.784%0.8483%0.826SS**  trans-62.2147.7179.1-76.8-43.9000114.8
173K35.5Very low27.4Very low190 Ų190150.5 Ų150.583%0.82682%0.824SS**  -174.3114.6119.3-98.6173.9-175.4-176.70112.1
174D28.7Very low27.7Very low159 Ų159154.5 Ų154.585%0.8583%0.827SS**  trans56.5121.8144.4-56.6-36.7000121.7
175G28.4Very low27.7Very low73 Ų73158.4 Ų158.475%0.75383%0.834SS**  trans135.973.2137.400000119.5
176R28.9Very low27.9Very low245 Ų245158.7 Ų158.793%0.92584%0.841SS**  trans51.5110.9138.7-61.7-177.9-168.7175.83.9120.7
177E25.7Very low27.9Very low191 Ų191156 Ų15689%0.89384%0.835SS**  trans21.5128.4132.6-59.1-174.115800120.6
178A25.9Very low27.9Very low88 Ų88158.3 Ų158.373%0.72784%0.842SS**  153132.6101.800000114.8
179F27.1Very low28Very low193 Ų193154.2 Ų154.285%0.84684%0.836SS**  trans91.3101.7141-96.5-107.6000124.1
180V26.9Very low28.2Very low120 Ų120152.7 Ų152.773%0.72784%0.836SS**  60.8128.9117.7-178.20000121.5
181G29.4Very low28.2Very low78 Ų78149.1 Ų149.180%0.80484%0.837SS**  trans-172.997.2160.100000114.5
182S27.2Very low28.4Very low118 Ų118148.8 Ų148.883%0.82584%0.837SS**PPolyproline II helixtrans-52.3147.2-169.2-63.40000121.6
183V26.3Very low28.2Very low138 Ų138150.6 Ų150.684%0.83684%0.838SS**PPolyproline II helixtrans-83.4132.8159.5174.30000110.5
184K30.4Very low28Very low206 Ų206150.8 Ų150.890%0.89684%0.842SS**PPolyproline II helixtrans-87123.4169.5-96.1-178.4175.9177.50111
185K25.2Very low28Very low200 Ų200147.2 Ų147.287%0.8784%0.835SS**PPolyproline II helixtrans-68.9145.1165.5-75.2173.7172.3174.60111.5
186V29.9Very low28Very low153 Ų153151.9 Ų151.993%0.92784%0.84SS**  trans-131.4136.8149.3178.50000108.3
187A27.1Very low28Very low92 Ų92143.9 Ų143.976%0.7683%0.834SS**PPolyproline II helixtrans-97.9156-156.300000114.8
188L25.1Very low28.1Very low170 Ų170143.6 Ų143.689%0.8983%0.83SS**PPolyproline II helixtrans-75.7146165.4-81.5120.8000111.9
189P29.3Very low28.5Very low123 Ų123148.8 Ų148.880%0.79984%0.839SS**PPolyproline II helixtrans-96.4156.8154.822-4.4000112.5
190K27.9Very low28.4Very low206 Ų206146 Ų14690%0.89683%0.833SS**PPolyproline II helixtrans-83.7155.7-157.2-66.6167.5171.8173.80114.8
191A28.6Very low28.5Very low102 Ų102148.3 Ų148.384%0.84384%0.84SS**PPolyproline II helixtrans-61.2149.216500000113.4
192S32.3Very low28.6Very low122 Ų122149.5 Ų149.585%0.85384%0.842SS**  trans-135.2137.4153.255.80000109.6
193K27.1Very low28.5Very low196 Ų196152.8 Ų152.885%0.85285%0.846SS**  trans-78.6152.5-174.9-63.1166.6172.1177.80109.8
194E29.6Very low28.6Very low193 Ų193151.1 Ų151.190%0.90284%0.841SS**  -176.5133.2122.6-101.4166.2-168.400114.8
195A30.1Very low28.8Very low85 Ų85149.2 Ų149.270%0.70284%0.84SS**  trans71.988.514000000122.7
196I27.1Very low29.2Very low170 Ų170150 Ų15087%0.87284%0.844SS**  52.9117.8106.5-56.2160.2000119
197G30.1Very low29.3Very low77 Ų77146.2 Ų146.279%0.79483%0.829SS**  trans-165101.7151.700000109.7
198K27.3Very low29.8Very low185 Ų185147.7 Ų147.780%0.80483%0.831SS**  trans-79.1143.6179.1-71.5175.7171.9-178.40110.5
199E33.7Very low29.9Very low197 Ų197151 Ų15192%0.92183%0.832SS**  trans-154.1132.9131.6-110.9172.5-159.300109.9
200D25.9Very low29.8Very low136 Ų136152.6 Ų152.673%0.72783%0.833SS**  trans-74.1156.5-170.4-57.2-61.1000111.9
201I28.9Very low29.9Very low167 Ų167152 Ų15286%0.85684%0.836SS**  175.6124.9125.8-82.8150.2000111
202A30.6Very low29.8Very low103 Ų103158.8 Ų158.885%0.85184%0.839SS**  trans74.2127.7154.700000121.1
203M25.9Very low29.5Very low187 Ų187161.3 Ų161.392%0.92184%0.838SS**  trans-119.8112.8-162.5174174.676.500108.5
204S29.1Very low29.5Very low103 Ų103159.8 Ų159.872%0.7284%0.838SS**  trans-173.3101.415655.40000109.6
205D33.9Very low29.5Very low166 Ų166156.5 Ų156.589%0.88884%0.837SS**  -178.5108.7127.9-87.8-15.4000110.3
206F32.7Very low29.4Very low216 Ų216156.3 Ų156.395%0.94784%0.836SS**  trans-78.2139.9-179.3-122-103.8000110
207A33.2Very low30Very low75 Ų75155.6 Ų155.662%0.6283%0.833SS**  trans-64.6-177.3-174.400000115.3
208P36.8Very low30.6Very low123 Ų123158.4 Ų158.480%0.79983%0.825SS**  -135.3124.191.432.9-18.5000114.7L210P208-L210 PolarHBondContact O-N 3.14Å
209R27.4Very low32Very low239 Ų239155.3 Ų155.390%0.90282%0.817SS**  trans-70.698.5148.6-75.5175.5170.5169.6-1.9108.1
210L28.1Very low33.9Very low156 Ų156149.9 Ų149.982%0.81779%0.789SS**  trans-153.8113.4157.1-108.2119.8000107.6P208P208-L210 PolarHBondContact O-N 3.14Å
211M29.6Very low36.3Very low195 Ų195147.2 Ų147.296%0.96178%0.775SS**  trans147.170.5157.1-73.9-141.617200110.2
212R25.3Very low38.5Very low243 Ų243145.5 Ų145.592%0.91776%0.758SS**  trans-83.7104.2151.8-95.7-178.1172.1173.6-2.3106.9
213H27.1Very low40.9Very low176 Ų176141 Ų14182%0.81572%0.72SS**  trans15493.1145.9-96.3-74.5000109.5
214N27.9Very low43.5Very low163 Ų163132.2 Ų132.287%0.87268%0.677SS**  trans-166.6103.7140.4-97.6-14.6000109.1A216N214-A216 PolarHBondContact O-N 2.67Å
215S28.6Very low46.2Very low125 Ų125127.3 Ų127.387%0.87464%0.642SS**  trans-81.485.2173.947.60000109.5
216A29.2Very low48.4Very low81 Ų81120.8 Ų120.867%0.66961%0.611SS**SBendtrans-167.1124.4163.700000109.5N214N214-A216 PolarHBondContact O-N 2.67Å
217L38.1Very low50.8Low155 Ų155110.7 Ų110.781%0.81257%0.567SS**  trans64.190.7-175.3-69.7103.5000116.6
218Q43Very low52.9Low135 Ų135113.3 Ų113.363%0.63157%0.566SS**  trans-83.1105.2155.3-86175.8-48.700107.8Y220Q218-Y220 HydrophobicContact CB-CE2 4.09Å; Q218-Y220 VanDerWaalsContact O-CD2 3.29Å; Q218-Y220 WeakPolarHBondContact O-CD2 3.48Å; Q218-Y220 WeakPolarHBondContact O-CE2 3.45Å; Q218-Y220 PolarHBondContact O-N 3.44Å
219D56.8Low54.4Low120 Ų120110 Ų11064%0.64256%0.555SS**PPolyproline II helixtrans-71123.5170.3-72.7-26.4000109.1
220Y72.9Confident56.5Low83 Ų8399.7 Ų99.733%0.32552%0.517SS..PPolyproline II helixtrans-103.5132.4174.1-64.9-88.5000108.3Q218 K250 I264 Y265 D266Q218-Y220 HydrophobicContact CB-CE2 4.09Å; Q218-Y220 VanDerWaalsContact O-CD2 3.29Å; Q218-Y220 WeakPolarHBondContact O-CD2 3.48Å; Q218-Y220 WeakPolarHBondContact O-CE2 3.45Å; Q218-Y220 PolarHBondContact O-N 3.44Å; Y220-K250 HydrophobicContact CD1-CB 4.08Å; Y220-K250 HydrophobicContact CD1-CD 3.92Å; Y220-K250 HydrophobicContact CD2-CD 3.89Å; Y220-K250 HydrophobicContact CE1-CB 4.05Å; Y220-K250 HydrophobicContact CE1-CD 3.72Å; Y220-K250 HydrophobicContact CE1-CG 4.45Å; Y220-K250 HydrophobicContact CE2-CD 3.68Å; Y220-K250 HydrophobicContact CG-CD 4.01Å; Y220-I264 HydrophobicContact CG-CG2 4.34Å; Y220-Y265 CarbonylContact C-O 3.59Å; Y220-Y265 WeakPolarHBondContact CA-O 3.42Å; Y220-D266 HydrophobicContact CD1-CB 4.21Å; Y220-D266 HydrophobicContact CE1-CB 4.29Å
221D77.1Confident58Low81 Ų8195.8 Ų95.843%0.43350%0.5SS..EExtended strand (participates in β ladder)trans-86.8157.8174.8-80.4-24.3000111.4I264 Y265 A267D221-I264 CarbonylContact O-C 3.48Å; D221-I264 VanDerWaalsContact O-CA 3.3Å; D221-I264 WeakPolarHBondContact O-CA 3.36Å; D221-Y265 HydrophobicContact CB-CE1 3.92Å; D221-Y265 HydrophobicContact CB-CE2 4.19Å; D221-Y265 PolarHBondContact N-O 3.36Å; D221-Y265 WeakPolarHBondContact O-CD1 3.39Å; D221-Y265 PolarHBondContact O-N 2.92Å; D221-A267 HydrophobicContact CB-CB 4.4Å; D221-A267 VanDerWaalsContact OD2-CB 3.24Å; D221-A267 WeakPolarHBondContact OD2-CB 3.25Å
222R75.9Confident59.5Low131 Ų13187.7 Ų87.749%0.49446%0.462SS..EExtended strand (participates in β ladder)trans-115.1134.4174.4-180-177.9177.7175.9-3.8109.1E262 V263R222-E262 IonicContact CZ-OE1 3.11Å; R222-E262 IonicContact CZ-OE2 2.73Å; R222-E262 IonicContact NE-OE2 2.9Å; R222-E262 IonicContact NH2-OE1 3.97Å; R222-E262 PolarHBondContact NH2-OE1 3.3Å; R222-E262 IonicContact NH2-OE2 3.9Å; R222-E262 PolarHBondContact NH2-OE2 3.04Å; R222-V263 WeakPolarHBondContact CA-O 3.24Å
223C81.2Confident61.1Low8 Ų878.6 Ų78.65%0.05444%0.439CS..EExtended strand (participates in β ladder)trans-128.6151.116764.30000110.9V263 Y265 P272C223-V263 PolarHBondContact N-O 3.43Å; C223-V263 PolarHBondContact O-N 3Å; C223-Y265 HydrophobicContact CB-CD1 4.4Å; C223-Y265 HydrophobicContact CB-CE1 3.67Å; C223-Y265 WeakPolarHBondContact SG-CE1 3.27Å; C223-P272 HydrophobicContact CB-CB 4.06Å; C223-P272 HydrophobicContact CB-CG 4.06Å
224T80.5Confident62.7Low3 Ų371.3 Ų71.32%0.01841%0.408CS..EExtended strand (participates in β ladder)trans-111.5127.1174.9-62.70000108.5K260 A261 V289 E291T224-K260 HydrophobicContact CG2-CB 4.24Å; T224-K260 HydrophobicContact CG2-CD 4.01Å; T224-K260 HydrophobicContact CG2-CG 4.39Å; T224-A261 CarbonylContact C-O 3.57Å; T224-A261 WeakPolarHBondContact CA-O 3.29Å; T224-V289 WeakPolarHBondContact O-CA 3.26Å; T224-V289 WeakPolarHBondContact O-CB 3.37Å; T224-V289 PolarHBondContact O-N 3.26Å; T224-E291 PolarHBondContact OG1-OE1 2.88Å
225I84.1Confident64.7Low0 Ų063.6 Ų63.60%037%0.367CS..EExtended strand (participates in β ladder)trans-116.5118.3-176.3-55.1175.7000108I227 K260 A261 V263 I275 A276 I279 A286 Q287I225-I227 HydrophobicContact CG2-CG1 4.22Å; I225-K260 CarbonylContact O-C 3.54Å; I225-K260 VanDerWaalsContact O-CA 3.26Å; I225-K260 WeakPolarHBondContact O-CA 3.43Å; I225-A261 PolarHBondContact N-O 3.43Å; I225-A261 PolarHBondContact O-N 3.12Å; I225-V263 HydrophobicContact CD1-CG2 4.11Å; I225-I275 HydrophobicContact CD1-CB 3.93Å; I225-I275 HydrophobicContact CD1-CG2 3.54Å; I225-A276 HydrophobicContact CG2-CB 4.21Å; I225-I279 HydrophobicContact CD1-CD1 3.94Å; I225-I279 HydrophobicContact CG2-CD1 4.12Å; I225-A286 HydrophobicContact CG2-CB 3.89Å; I225-Q287 CarbonylContact C-O 3.46Å; I225-Q287 WeakPolarHBondContact CA-O 3.42Å
226A80.8Confident67.1Low28 Ų2858 Ų5823%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-73.8126.4171.100000109.4G259 A286 Q287 V289A226-G259 CarbonylContact C-O 3.54Å; A226-G259 WeakPolarHBondContact CA-O 3.47Å; A226-A286 CarbonylContact O-C 3.47Å; A226-A286 VanDerWaalsContact O-CA 3.26Å; A226-A286 WeakPolarHBondContact O-CA 3.27Å; A226-Q287 PolarHBondContact N-O 2.87Å; A226-Q287 PolarHBondContact O-N 3.17Å; A226-V289 HydrophobicContact CB-CG2 3.6Å
227I82.9Confident69.1Low4 Ų455.6 Ų55.62%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-121.5119.8-177.4-51178000109.4I225 M230 I239 V254 G259 A261 I279 F284 N285I225-I227 HydrophobicContact CG2-CG1 4.22Å; I227-M230 HydrophobicContact CB-CE 3.84Å; I227-M230 HydrophobicContact CB-CG 4.25Å; I227-M230 HydrophobicContact CB-SD 3.96Å; I227-M230 HydrophobicContact CD1-SD 4.15Å; I227-M230 HydrophobicContact CG2-CE 4.27Å; I227-M230 HydrophobicContact CG2-CG 3.6Å; I227-M230 HydrophobicContact CG2-SD 3.82Å; I227-I239 HydrophobicContact CD1-CD1 4.16Å; I227-I239 HydrophobicContact CD1-CG2 4.1Å; I227-I239 HydrophobicContact CG2-CD1 4.27Å; I227-V254 HydrophobicContact CD1-CG1 4.27Å; I227-G259 PolarHBondContact N-O 3.25Å; I227-A261 HydrophobicContact CD1-CB 3.46Å; I227-A261 VanDerWaalsContact CD1-CB 3.46Å; I227-A261 HydrophobicContact CG1-CB 4.25Å; I227-I279 HydrophobicContact CD1-CD1 3.98Å; I227-I279 HydrophobicContact CD1-CG2 3.99Å; I227-I279 HydrophobicContact CG1-CG2 4.2Å; I227-I279 HydrophobicContact CG2-CG2 3.98Å; I227-F284 HydrophobicContact CG2-CB 3.66Å; I227-F284 HydrophobicContact CG2-CG 4.26Å; I227-N285 CarbonylContact C-O 3.58Å; I227-N285 WeakPolarHBondContact CA-O 3.37Å
228Q77.3Confident71.1Confident130 Ų13051.3 Ų51.361%0.60728%0.283SS*.  trans-100.3152.1173.7-59-176.4000111.4N285Q228-N285 HydrophobicContact CB-CB 4.26Å; Q228-N285 PolarHBondContact N-O 2.77Å; Q228-N285 PolarHBondContact O-N 3.43Å
229G68.9Low73.1Confident54 Ų5444.9 Ų44.956%0.55725%0.253SS*.SBendtrans89.6-3.9178.700000115.2T231G229-T231 PolarHBondContact O-N 2.86Å
230M70.4Confident74.6Confident22 Ų2241.6 Ų41.611%0.10823%0.234CC..  trans-64.9125.5169.1-59.2-169.5-6400109.9I227 C235 V236 I239 V254 L256 F284I227-M230 HydrophobicContact CB-CE 3.84Å; I227-M230 HydrophobicContact CB-CG 4.25Å; I227-M230 HydrophobicContact CB-SD 3.96Å; I227-M230 HydrophobicContact CD1-SD 4.15Å; I227-M230 HydrophobicContact CG2-CE 4.27Å; I227-M230 HydrophobicContact CG2-CG 3.6Å; I227-M230 HydrophobicContact CG2-SD 3.82Å; M230-C235 HydrophobicContact CB-CB 4.49Å; M230-V236 HydrophobicContact SD-CG2 4.37Å; M230-I239 HydrophobicContact CG-CD1 3.87Å; M230-I239 HydrophobicContact SD-CD1 3.56Å; M230-I239 VanDerWaalsContact SD-CD1 3.56Å; M230-V254 HydrophobicContact CE-CG1 3.86Å; M230-V254 HydrophobicContact SD-CG1 3.39Å; M230-V254 WeakPolarHBondContact SD-CG1 3.41Å; M230-L256 HydrophobicContact CB-CD1 3.66Å; M230-F284 HydrophobicContact CG-CD1 4.19Å; M230-F284 HydrophobicContact CG-CE1 4.41Å
231T59.6Low75.1Confident75 Ų7543.3 Ų43.346%0.4624%0.243SC..  trans-128.8-9-175.545.20000114.5G229 K452G229-T231 PolarHBondContact O-N 2.86Å; T231-K452 PolarHBondContact OG1-NZ 2.87Å
232C62.1Low75.4Confident24 Ų2441 Ų4116%0.16223%0.232CC..SBendtrans-154.5160.6-179.6510000111.5S234 C235 V236C232-S234 PolarHBondContact O-N 2.82Å; C232-S234 VanDerWaalsContact O-N 3.13Å; C232-S234 PolarHBondContact SG-OG 2.84Å; C232-C235 WeakPolarHBondContact O-CB 3.35Å; C232-C235 PolarHBondContact O-N 3.21Å; C232-C235 PolarHBondContact SG-SG 3.2Å; C232-V236 PolarHBondContact O-N 2.84Å
233A57.9Low76Confident52 Ų5234.8 Ų34.843%0.4321%0.208SC..Hα-helixtrans-60.3-21.3178.200000113.6A237A233-A237 PolarHBondContact O-N 2.82Å
234S61Low76.3Confident23 Ų2338.4 Ų38.416%0.16123%0.226CC..Hα-helixtrans-72-32.8172.4540000112.9C232 A237 H238C232-S234 PolarHBondContact O-N 2.82Å; C232-S234 VanDerWaalsContact O-N 3.13Å; C232-S234 PolarHBondContact SG-OG 2.84Å; S234-A237 PolarHBondContact O-N 3.36Å; S234-H238 VanDerWaalsContact O-CB 3.29Å; S234-H238 WeakPolarHBondContact O-CB 3.5Å; S234-H238 PolarHBondContact O-N 3.19Å
235C71Confident76.6Confident2 Ų246.3 Ų46.31%0.01426%0.26CS..Hα-helixtrans-62.5-46.7171.3-61.20000110.1M230 C232 A237 H238 I239 F284M230-C235 HydrophobicContact CB-CB 4.49Å; C232-C235 WeakPolarHBondContact O-CB 3.35Å; C232-C235 PolarHBondContact O-N 3.21Å; C232-C235 PolarHBondContact SG-SG 3.2Å; C235-A237 PolarHBondContact O-N 2.99Å; C235-H238 PolarHBondContact O-N 2.73Å; C235-I239 WeakPolarHBondContact O-CD1 3.32Å; C235-I239 VanDerWaalsContact O-CG1 3.27Å; C235-I239 WeakPolarHBondContact O-CG1 3.36Å; C235-I239 PolarHBondContact O-N 3.14Å; C235-F284 HydrophobicContact CB-CE1 3.89Å; C235-F284 HydrophobicContact CB-CZ 3.7Å
236V78Confident76.7Confident7 Ų747.9 Ų47.94%0.04227%0.269CS..Hα-helixtrans-54.9-54.1175.3162.50000111.2M230 C232 H238 I239 E240 V254 L256M230-V236 HydrophobicContact SD-CG2 4.37Å; C232-V236 PolarHBondContact O-N 2.84Å; V236-H238 VanDerWaalsContact C-N 3.26Å; V236-H238 PolarHBondContact O-N 2.97Å; V236-I239 PolarHBondContact O-N 3.01Å; V236-E240 HydrophobicContact CG1-CG 4.46Å; V236-E240 WeakPolarHBondContact O-CG 3.21Å; V236-E240 PolarHBondContact O-N 2.81Å; V236-V254 HydrophobicContact CB-CB 4.44Å; V236-V254 HydrophobicContact CB-CG1 4.49Å; V236-V254 HydrophobicContact CG1-CB 3.93Å; V236-V254 HydrophobicContact CG1-CG1 4.47Å; V236-V254 HydrophobicContact CG2-CB 4.34Å; V236-V254 HydrophobicContact CG2-CG1 3.98Å; V236-L256 HydrophobicContact CG2-CB 3.91Å; V236-L256 HydrophobicContact CG2-CD1 4.13Å
237A72.3Confident76.9Confident31 Ų3153 Ų5326%0.25629%0.292SS..Hα-helixtrans-64.8-29.6-179.200000113.2A233 S234 C235 K241A233-A237 PolarHBondContact O-N 2.82Å; S234-A237 PolarHBondContact O-N 3.36Å; C235-A237 PolarHBondContact O-N 2.99Å; A237-K241 VanDerWaalsContact O-CB 3.31Å; A237-K241 WeakPolarHBondContact O-CB 3.46Å; A237-K241 VanDerWaalsContact O-CG 3.24Å; A237-K241 WeakPolarHBondContact O-CG 3.29Å; A237-K241 PolarHBondContact O-N 3.23Å; A237-K241 VanDerWaalsContact O-N 3.08Å
238H80.4Confident77Confident64 Ų6453.9 Ų53.930%0.29630%0.303SS..Hα-helixtrans-71.2-43.7175.3-172.4-92.4000111.3S234 C235 V236 T242S234-H238 VanDerWaalsContact O-CB 3.29Å; S234-H238 WeakPolarHBondContact O-CB 3.5Å; S234-H238 PolarHBondContact O-N 3.19Å; C235-H238 PolarHBondContact O-N 2.73Å; V236-H238 VanDerWaalsContact C-N 3.26Å; V236-H238 PolarHBondContact O-N 2.97Å; H238-T242 VanDerWaalsContact O-CB 3.3Å; H238-T242 WeakPolarHBondContact O-CB 3.42Å; H238-T242 PolarHBondContact O-N 3.27Å; H238-T242 PolarHBondContact O-OG1 3.15Å
239I85Confident77.4Confident0 Ų048.5 Ų48.50%028%0.279CS..Hα-helixtrans-62.2-52175-65.8160.9000109.6I227 M230 C235 V236 K241 T242 V243 V254 I279 M282 F284I227-I239 HydrophobicContact CD1-CD1 4.16Å; I227-I239 HydrophobicContact CD1-CG2 4.1Å; I227-I239 HydrophobicContact CG2-CD1 4.27Å; M230-I239 HydrophobicContact CG-CD1 3.87Å; M230-I239 HydrophobicContact SD-CD1 3.56Å; M230-I239 VanDerWaalsContact SD-CD1 3.56Å; C235-I239 WeakPolarHBondContact O-CD1 3.32Å; C235-I239 VanDerWaalsContact O-CG1 3.27Å; C235-I239 WeakPolarHBondContact O-CG1 3.36Å; C235-I239 PolarHBondContact O-N 3.14Å; V236-I239 PolarHBondContact O-N 3.01Å; I239-K241 PolarHBondContact O-N 2.99Å; I239-T242 PolarHBondContact O-N 3.44Å; I239-T242 VanDerWaalsContact O-N 3.15Å; I239-V243 HydrophobicContact CG2-CG2 3.96Å; I239-V243 WeakPolarHBondContact O-CB 3.36Å; I239-V243 VanDerWaalsContact O-CG2 3.28Å; I239-V243 WeakPolarHBondContact O-CG2 3.38Å; I239-V243 PolarHBondContact O-N 3.07Å; I239-V254 HydrophobicContact CB-CG2 4.27Å; I239-V254 HydrophobicContact CG2-CG2 3.78Å; I239-I279 HydrophobicContact CG2-CD1 4.42Å; I239-I279 HydrophobicContact CG2-CG1 4.29Å; I239-M282 HydrophobicContact CB-CE 4.21Å; I239-M282 HydrophobicContact CG1-CE 3.89Å; I239-M282 HydrophobicContact CG1-SD 4.45Å; I239-M282 HydrophobicContact CG2-CE 4.16Å; I239-F284 HydrophobicContact CD1-CD2 3.9Å; I239-F284 HydrophobicContact CD1-CE2 3.94Å; I239-F284 HydrophobicContact CD1-CG 4.25Å; I239-F284 HydrophobicContact CD1-CZ 4.33Å; I239-F284 HydrophobicContact CG1-CD2 3.99Å; I239-F284 HydrophobicContact CG1-CE2 3.89Å
240E86.5Confident78Confident52 Ų5251.6 Ų51.624%0.24328%0.277CS..Hα-helixtrans-54.4-50.2177.9-72.3174.816500111.7V236 T242 M244 V252 V254V236-E240 HydrophobicContact CG1-CG 4.46Å; V236-E240 WeakPolarHBondContact O-CG 3.21Å; V236-E240 PolarHBondContact O-N 2.81Å; E240-T242 VanDerWaalsContact C-N 3.31Å; E240-T242 PolarHBondContact O-N 2.95Å; E240-M244 WeakPolarHBondContact O-CB 3.36Å; E240-M244 WeakPolarHBondContact O-CG 3.46Å; E240-M244 PolarHBondContact O-N 3.39Å; E240-V252 HydrophobicContact CG-CG1 4.2Å; E240-V254 HydrophobicContact CG-CB 4.24Å; E240-V254 HydrophobicContact CG-CG2 3.63Å; E240-V254 PolarHBondContact OE1-N 3.3Å
241K83.5Confident78.5Confident119 Ų11957.3 Ų57.352%0.51730%0.298SS..Hα-helixtrans-66.1-30.5-179.5-77.6178-177.3178.60114.1A237 I239 K245A237-K241 VanDerWaalsContact O-CB 3.31Å; A237-K241 WeakPolarHBondContact O-CB 3.46Å; A237-K241 VanDerWaalsContact O-CG 3.24Å; A237-K241 WeakPolarHBondContact O-CG 3.29Å; A237-K241 PolarHBondContact O-N 3.23Å; A237-K241 VanDerWaalsContact O-N 3.08Å; I239-K241 PolarHBondContact O-N 2.99Å; K241-K245 WeakPolarHBondContact O-CD 3.29Å; K241-K245 VanDerWaalsContact O-CG 3.31Å; K241-K245 WeakPolarHBondContact O-CG 3.34Å
242T85Confident79.7Confident32 Ų3254.4 Ų54.420%0.19628%0.28CS..Hα-helixtrans-84.8-42.8-177-53.40000110.6H238 I239 E240 K245 M282H238-T242 VanDerWaalsContact O-CB 3.3Å; H238-T242 WeakPolarHBondContact O-CB 3.42Å; H238-T242 PolarHBondContact O-N 3.27Å; H238-T242 PolarHBondContact O-OG1 3.15Å; I239-T242 PolarHBondContact O-N 3.44Å; I239-T242 VanDerWaalsContact O-N 3.15Å; E240-T242 VanDerWaalsContact C-N 3.31Å; E240-T242 PolarHBondContact O-N 2.95Å; T242-K245 WeakPolarHBondContact O-CB 3.47Å; T242-K245 PolarHBondContact O-N 2.86Å; T242-K245 VanDerWaalsContact O-N 3.14Å; T242-M282 HydrophobicContact CG2-CG 4.48Å; T242-M282 HydrophobicContact CG2-SD 3.75Å
243V88.5Confident80.4Confident0 Ų056.5 Ų56.50%029%0.289CS..Hα-helixtrans-68.8-35.8177.1-178.50000110.9I239 K245 V246 V249 V252 V263 I275 I279 M282I239-V243 HydrophobicContact CG2-CG2 3.96Å; I239-V243 WeakPolarHBondContact O-CB 3.36Å; I239-V243 VanDerWaalsContact O-CG2 3.28Å; I239-V243 WeakPolarHBondContact O-CG2 3.38Å; I239-V243 PolarHBondContact O-N 3.07Å; V243-K245 PolarHBondContact O-N 2.6Å; V243-K245 VanDerWaalsContact O-N 3.16Å; V243-V246 WeakPolarHBondContact O-CB 3.35Å; V243-V246 PolarHBondContact O-N 2.93Å; V243-V249 HydrophobicContact CG1-CG1 4.3Å; V243-V249 HydrophobicContact CG1-CG2 4.32Å; V243-V252 HydrophobicContact CB-CG1 4.3Å; V243-V252 HydrophobicContact CB-CG2 3.84Å; V243-V252 HydrophobicContact CG1-CG1 4.35Å; V243-V252 HydrophobicContact CG1-CG2 3.46Å; V243-V252 VanDerWaalsContact CG1-CG2 3.46Å; V243-V263 HydrophobicContact CG1-CG1 4.29Å; V243-V263 HydrophobicContact CG1-CG2 4.33Å; V243-I275 HydrophobicContact CG1-CG2 3.65Å; V243-I279 HydrophobicContact CG2-CD1 4.17Å; V243-I279 HydrophobicContact CG2-CG1 3.82Å; V243-M282 HydrophobicContact CG2-CE 4.19Å
244M86.9Confident81.4Confident85 Ų8554.5 Ų54.542%0.41927%0.271SS..THydrogen-bonded Turntrans-64.2-15172.1-75.4-68.5-59.200114.4E240 V249 K250 R251 V252E240-M244 WeakPolarHBondContact O-CB 3.36Å; E240-M244 WeakPolarHBondContact O-CG 3.46Å; E240-M244 PolarHBondContact O-N 3.39Å; M244-V249 HydrophobicContact SD-CG1 4.33Å; M244-K250 WeakPolarHBondContact CE-O 3.34Å; M244-R251 VanDerWaalsContact SD-CA 3.57Å; M244-V252 HydrophobicContact CG-CB 4.12Å; M244-V252 HydrophobicContact CG-CG2 3.91Å; M244-V252 HydrophobicContact SD-CB 4.17Å; M244-V252 HydrophobicContact SD-CG2 3.84Å; M244-V252 PolarHBondContact SD-N 3.28Å
245K86.2Confident81.6Confident169 Ų16954.3 Ų54.374%0.73527%0.271SS*.THydrogen-bonded Turntrans-90.3-6.5174.4-71.6172.6-178.5-176.70113K241 T242 V243K241-K245 WeakPolarHBondContact O-CD 3.29Å; K241-K245 VanDerWaalsContact O-CG 3.31Å; K241-K245 WeakPolarHBondContact O-CG 3.34Å; T242-K245 WeakPolarHBondContact O-CB 3.47Å; T242-K245 PolarHBondContact O-N 2.86Å; T242-K245 VanDerWaalsContact O-N 3.14Å; V243-K245 PolarHBondContact O-N 2.6Å; V243-K245 VanDerWaalsContact O-N 3.16Å
246V86.8Confident81.6Confident33 Ų3357.5 Ų57.520%0.229%0.288CS..SBendtrans-75.2127.6176.8179.20000108.2V243 G248 V249 V270 R278V243-V246 WeakPolarHBondContact O-CB 3.35Å; V243-V246 PolarHBondContact O-N 2.93Å; V246-G248 PolarHBondContact O-N 3.15Å; V246-V249 HydrophobicContact CB-CG2 3.95Å; V246-V249 HydrophobicContact CG1-CG2 4.23Å; V246-V249 PolarHBondContact O-N 3.3Å; V246-V249 VanDerWaalsContact O-N 3.11Å; V246-V270 HydrophobicContact CG1-CG2 4.05Å; V246-R278 HydrophobicContact CG2-CG 4.19Å
247D85.3Confident80.6Confident134 Ų13462.7 Ų62.772%0.71731%0.314SS*.THydrogen-bonded Turntrans-57.9130.8177.9-67.4-32.7000109.9V269D247-V269 HydrophobicContact CB-CG1 4.15Å; D247-V269 WeakPolarHBondContact O-CG1 3.42Å
248G83.5Confident80Confident24 Ų2464.2 Ų64.225%0.24733%0.327CS..THydrogen-bonded Turntrans96.3-15-17600000115V246 Y265 D266V246-G248 PolarHBondContact O-N 3.15Å; G248-Y265 CarbonylContact O-C 3.52Å; G248-Y265 VanDerWaalsContact O-CA 3.29Å; G248-Y265 WeakPolarHBondContact O-CA 3.39Å; G248-D266 PolarHBondContact O-N 2.99Å
249V86.9Confident79.5Confident16 Ų1662.2 Ų62.210%0.09732%0.324CS..EExtended strand (participates in β ladder)trans-85.9125177.1178.70000111.3V243 M244 V246 V252 V263 V270 I275V243-V249 HydrophobicContact CG1-CG1 4.3Å; V243-V249 HydrophobicContact CG1-CG2 4.32Å; M244-V249 HydrophobicContact SD-CG1 4.33Å; V246-V249 HydrophobicContact CB-CG2 3.95Å; V246-V249 HydrophobicContact CG1-CG2 4.23Å; V246-V249 PolarHBondContact O-N 3.3Å; V246-V249 VanDerWaalsContact O-N 3.11Å; V249-V252 HydrophobicContact CG1-CG2 3.45Å; V249-V252 VanDerWaalsContact CG1-CG2 3.45Å; V249-V263 HydrophobicContact CG1-CG1 3.69Å; V249-V263 HydrophobicContact CG2-CG1 4.11Å; V249-V270 HydrophobicContact CG2-CG1 4.36Å; V249-I275 HydrophobicContact CG2-CD1 4.12Å
250K81.5Confident79.1Confident119 Ų11966.6 Ų66.652%0.51734%0.343SS..EExtended strand (participates in β ladder)trans-96.9-38.6179.6-175.8172-176.9173.40113.3Y220 M244 I264Y220-K250 HydrophobicContact CD1-CB 4.08Å; Y220-K250 HydrophobicContact CD1-CD 3.92Å; Y220-K250 HydrophobicContact CD2-CD 3.89Å; Y220-K250 HydrophobicContact CE1-CB 4.05Å; Y220-K250 HydrophobicContact CE1-CD 3.72Å; Y220-K250 HydrophobicContact CE1-CG 4.45Å; Y220-K250 HydrophobicContact CE2-CD 3.68Å; Y220-K250 HydrophobicContact CG-CD 4.01Å; M244-K250 WeakPolarHBondContact CE-O 3.34Å; K250-I264 HydrophobicContact CB-CG2 4.42Å; K250-I264 PolarHBondContact N-O 3.19Å
251R81.5Confident78.9Confident143 Ų14364.1 Ų64.154%0.5433%0.331SS..EExtended strand (participates in β ladder)trans-151.6140.9-177.9179.8175.3149.5-171.4-7.9110.4M244 V263 I264M244-R251 VanDerWaalsContact SD-CA 3.57Å; R251-V263 WeakPolarHBondContact O-CA 3.44Å; R251-I264 HydrophobicContact CB-CB 4.25Å; R251-I264 HydrophobicContact CB-CD1 4.23Å; R251-I264 HydrophobicContact CB-CG1 4.46Å; R251-I264 PolarHBondContact N-O 2.9Å; R251-I264 PolarHBondContact O-N 2.94Å
252V83.1Confident78.7Confident14 Ų1461.5 Ų61.59%0.08532%0.321CS..EExtended strand (participates in β ladder)trans-132.3134.8176.1-1790000108.3E240 V243 M244 V249 V254 E262 V263E240-V252 HydrophobicContact CG-CG1 4.2Å; V243-V252 HydrophobicContact CB-CG1 4.3Å; V243-V252 HydrophobicContact CB-CG2 3.84Å; V243-V252 HydrophobicContact CG1-CG1 4.35Å; V243-V252 HydrophobicContact CG1-CG2 3.46Å; V243-V252 VanDerWaalsContact CG1-CG2 3.46Å; M244-V252 HydrophobicContact CG-CB 4.12Å; M244-V252 HydrophobicContact CG-CG2 3.91Å; M244-V252 HydrophobicContact SD-CB 4.17Å; M244-V252 HydrophobicContact SD-CG2 3.84Å; M244-V252 PolarHBondContact SD-N 3.28Å; V249-V252 HydrophobicContact CG1-CG2 3.45Å; V249-V252 VanDerWaalsContact CG1-CG2 3.45Å; V252-V254 HydrophobicContact CG1-CG2 3.92Å; V252-E262 CarbonylContact C-O 3.31Å; V252-E262 WeakPolarHBondContact CA-O 3.38Å; V252-V263 HydrophobicContact CG1-CG2 4.24Å; V252-V263 HydrophobicContact CG2-CG1 4.05Å; V252-V263 HydrophobicContact CG2-CG2 4.34Å
253L77.2Confident78.7Confident67 Ų6760 Ų6035%0.35131%0.311SS..EExtended strand (participates in β ladder)trans-134.4122.2173.9-166144.2000109A261 E262L253-A261 CarbonylContact O-C 3.59Å; L253-A261 WeakPolarHBondContact O-CA 3.35Å; L253-E262 PolarHBondContact N-O 3.45Å; L253-E262 PolarHBondContact O-N 3.27Å
254V79.1Confident78.5Confident10 Ų1062.4 Ų62.46%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-114116.9-175.7-1730000110.7I227 M230 V236 I239 E240 V252 A261I227-V254 HydrophobicContact CD1-CG1 4.27Å; M230-V254 HydrophobicContact CE-CG1 3.86Å; M230-V254 HydrophobicContact SD-CG1 3.39Å; M230-V254 WeakPolarHBondContact SD-CG1 3.41Å; V236-V254 HydrophobicContact CB-CB 4.44Å; V236-V254 HydrophobicContact CB-CG1 4.49Å; V236-V254 HydrophobicContact CG1-CB 3.93Å; V236-V254 HydrophobicContact CG1-CG1 4.47Å; V236-V254 HydrophobicContact CG2-CB 4.34Å; V236-V254 HydrophobicContact CG2-CG1 3.98Å; I239-V254 HydrophobicContact CB-CG2 4.27Å; I239-V254 HydrophobicContact CG2-CG2 3.78Å; E240-V254 HydrophobicContact CG-CB 4.24Å; E240-V254 HydrophobicContact CG-CG2 3.63Å; E240-V254 PolarHBondContact OE1-N 3.3Å; V252-V254 HydrophobicContact CG1-CG2 3.92Å; V254-A261 HydrophobicContact CB-CB 4.33Å; V254-A261 HydrophobicContact CG1-CB 4.22Å; V254-A261 HydrophobicContact CG2-CB 3.78Å
255A64.4Low78.5Confident20 Ų2059.1 Ų59.117%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-90.9107177.100000110.5I257 A258 G259 K260A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 3.45Å; A255-A258 HydrophobicContact CB-CB 3.91Å; A255-G259 PolarHBondContact O-N 3.27Å; A255-G259 VanDerWaalsContact O-N 3.08Å; A255-K260 PolarHBondContact N-O 2.9Å; A255-K260 PolarHBondContact O-N 3.33Å
256L71.2Confident78.5Confident69 Ų6951.9 Ų51.936%0.36128%0.276SS..THydrogen-bonded Turntrans-60.1-39.7179.2-175.764000112.6M230 V236M230-L256 HydrophobicContact CB-CD1 3.66Å; V236-L256 HydrophobicContact CG2-CB 3.91Å; V236-L256 HydrophobicContact CG2-CD1 4.13Å
257I57.3Low78.2Confident115 Ų11552.1 Ų52.159%0.5928%0.282SS*.THydrogen-bonded Turntrans-73.8-42.8-175.1-59.1171.6000110.6A255 G259 T640A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 3.45Å; I257-G259 PolarHBondContact O-N 3.42Å; I257-T640 HydrophobicContact CD1-CG2 4.39Å
258A59.7Low78Confident63 Ų6355.1 Ų55.152%0.52129%0.288SS..THydrogen-bonded Turntrans-75-16.2178.700000113A255 K260A255-A258 HydrophobicContact CB-CB 3.91Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 HydrophobicContact CB-CB 4.29Å; A258-K260 HydrophobicContact CB-CD 4.44Å; A258-K260 HydrophobicContact CB-CG 4.38Å; A258-K260 PolarHBondContact O-N 2.93Å
259G70.4Confident78Confident23 Ų2357.8 Ų57.824%0.23730%0.3CS..THydrogen-bonded Turntrans6237.6-171.800000111.7A226 I227 A255 I257A226-G259 CarbonylContact C-O 3.54Å; A226-G259 WeakPolarHBondContact CA-O 3.47Å; I227-G259 PolarHBondContact N-O 3.25Å; A255-G259 PolarHBondContact O-N 3.27Å; A255-G259 VanDerWaalsContact O-N 3.08Å; I257-G259 PolarHBondContact O-N 3.42Å
260K76.4Confident77.9Confident92 Ų9257.3 Ų57.340%0.430%0.297SS..EExtended strand (participates in β ladder)trans-136.2151.7-174.8-68.1178.6-177.4-173.40111.6T224 I225 A255 A258T224-K260 HydrophobicContact CG2-CB 4.24Å; T224-K260 HydrophobicContact CG2-CD 4.01Å; T224-K260 HydrophobicContact CG2-CG 4.39Å; I225-K260 CarbonylContact O-C 3.54Å; I225-K260 VanDerWaalsContact O-CA 3.26Å; I225-K260 WeakPolarHBondContact O-CA 3.43Å; A255-K260 PolarHBondContact N-O 2.9Å; A255-K260 PolarHBondContact O-N 3.33Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 HydrophobicContact CB-CB 4.29Å; A258-K260 HydrophobicContact CB-CD 4.44Å; A258-K260 HydrophobicContact CB-CG 4.38Å; A258-K260 PolarHBondContact O-N 2.93Å
261A81.7Confident78.1Confident0 Ų056.6 Ų56.60%030%0.298CS..EExtended strand (participates in β ladder)trans-124.4131.9170.200000110.1T224 I225 I227 L253 V254T224-A261 CarbonylContact C-O 3.57Å; T224-A261 WeakPolarHBondContact CA-O 3.29Å; I225-A261 PolarHBondContact N-O 3.43Å; I225-A261 PolarHBondContact O-N 3.12Å; I227-A261 HydrophobicContact CD1-CB 3.46Å; I227-A261 VanDerWaalsContact CD1-CB 3.46Å; I227-A261 HydrophobicContact CG1-CB 4.25Å; L253-A261 CarbonylContact O-C 3.59Å; L253-A261 WeakPolarHBondContact O-CA 3.35Å; V254-A261 HydrophobicContact CB-CB 4.33Å; V254-A261 HydrophobicContact CG1-CB 4.22Å; V254-A261 HydrophobicContact CG2-CB 3.78Å
262E80.7Confident78.3Confident64 Ų6451 Ų5130%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-101128172.2-61-174.8159.100108.9R222 V252 L253R222-E262 IonicContact CZ-OE1 3.11Å; R222-E262 IonicContact CZ-OE2 2.73Å; R222-E262 IonicContact NE-OE2 2.9Å; R222-E262 IonicContact NH2-OE1 3.97Å; R222-E262 PolarHBondContact NH2-OE1 3.3Å; R222-E262 IonicContact NH2-OE2 3.9Å; R222-E262 PolarHBondContact NH2-OE2 3.04Å; V252-E262 CarbonylContact C-O 3.31Å; V252-E262 WeakPolarHBondContact CA-O 3.38Å; L253-E262 PolarHBondContact N-O 3.45Å; L253-E262 PolarHBondContact O-N 3.27Å
263V85Confident78.5Confident0 Ų055.6 Ų55.60%030%0.304CS..EExtended strand (participates in β ladder)trans-126.8124.7-176.1-172.50000109.3R222 C223 I225 V243 V249 R251 V252 I275R222-V263 WeakPolarHBondContact CA-O 3.24Å; C223-V263 PolarHBondContact N-O 3.43Å; C223-V263 PolarHBondContact O-N 3Å; I225-V263 HydrophobicContact CD1-CG2 4.11Å; V243-V263 HydrophobicContact CG1-CG1 4.29Å; V243-V263 HydrophobicContact CG1-CG2 4.33Å; V249-V263 HydrophobicContact CG1-CG1 3.69Å; V249-V263 HydrophobicContact CG2-CG1 4.11Å; R251-V263 WeakPolarHBondContact O-CA 3.44Å; V252-V263 HydrophobicContact CG1-CG2 4.24Å; V252-V263 HydrophobicContact CG2-CG1 4.05Å; V252-V263 HydrophobicContact CG2-CG2 4.34Å; V263-I275 HydrophobicContact CG1-CD1 3.86Å; V263-I275 HydrophobicContact CG1-CG2 4.47Å; V263-I275 HydrophobicContact CG2-CG2 4.25Å
264I83.7Confident79Confident50 Ų5057.1 Ų57.126%0.25631%0.31SS..EExtended strand (participates in β ladder)trans-97.5116.7170.6-57.5178.4000107.3Y220 D221 K250 R251Y220-I264 HydrophobicContact CG-CG2 4.34Å; D221-I264 CarbonylContact O-C 3.48Å; D221-I264 VanDerWaalsContact O-CA 3.3Å; D221-I264 WeakPolarHBondContact O-CA 3.36Å; K250-I264 HydrophobicContact CB-CG2 4.42Å; K250-I264 PolarHBondContact N-O 3.19Å; R251-I264 HydrophobicContact CB-CB 4.25Å; R251-I264 HydrophobicContact CB-CD1 4.23Å; R251-I264 HydrophobicContact CB-CG1 4.46Å; R251-I264 PolarHBondContact N-O 2.9Å; R251-I264 PolarHBondContact O-N 2.94Å
265Y86.3Confident79.5Confident17 Ų1756.7 Ų56.77%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-137.1157.5-171.270-80000111.9Y220 D221 C223 G248 A267 V270 P272 I275Y220-Y265 CarbonylContact C-O 3.59Å; Y220-Y265 WeakPolarHBondContact CA-O 3.42Å; D221-Y265 HydrophobicContact CB-CE1 3.92Å; D221-Y265 HydrophobicContact CB-CE2 4.19Å; D221-Y265 PolarHBondContact N-O 3.36Å; D221-Y265 WeakPolarHBondContact O-CD1 3.39Å; D221-Y265 PolarHBondContact O-N 2.92Å; C223-Y265 HydrophobicContact CB-CD1 4.4Å; C223-Y265 HydrophobicContact CB-CE1 3.67Å; C223-Y265 WeakPolarHBondContact SG-CE1 3.27Å; G248-Y265 CarbonylContact O-C 3.52Å; G248-Y265 VanDerWaalsContact O-CA 3.29Å; G248-Y265 WeakPolarHBondContact O-CA 3.39Å; Y265-A267 HydrophobicContact CE2-CB 3.89Å; Y265-V270 HydrophobicContact CD2-CG1 3.83Å; Y265-V270 WeakPolarHBondContact CD2-O 3.37Å; Y265-V270 VanDerWaalsContact CE2-O 3.24Å; Y265-V270 WeakPolarHBondContact CE2-O 3.42Å; Y265-V270 HydrophobicContact CG-CG1 4.17Å; Y265-P272 HydrophobicContact CE1-CG 3.98Å; Y265-P272 HydrophobicContact CE2-CG 4.11Å; Y265-P272 VanDerWaalsContact CZ-CG 3.47Å; Y265-P272 WeakPolarHBondContact OH-CD 3.41Å; Y265-P272 WeakPolarHBondContact OH-CG 3.44Å; Y265-I275 HydrophobicContact CD1-CD1 4.18Å; Y265-I275 HydrophobicContact CD2-CD1 4.48Å; Y265-I275 HydrophobicContact CG-CD1 3.93Å
266D85.7Confident80.6Confident17 Ų1756 Ų569%0.09130%0.302CS..  trans-87110.7171.8-174-20.9000108.6Y220 G248 F268 V269 V270Y220-D266 HydrophobicContact CD1-CB 4.21Å; Y220-D266 HydrophobicContact CE1-CB 4.29Å; G248-D266 PolarHBondContact O-N 2.99Å; D266-F268 PolarHBondContact O-N 2.65Å; D266-F268 WeakPolarHBondContact OD1-CB 3.2Å; D266-F268 WeakPolarHBondContact OD1-CD2 3.39Å; D266-F268 PolarHBondContact OD1-N 2.96Å; D266-V269 HydrophobicContact CB-CB 4.36Å; D266-V269 HydrophobicContact CB-CG2 4.13Å; D266-V269 PolarHBondContact O-N 2.99Å; D266-V270 PolarHBondContact O-N 2.81Å
267A82.2Confident81.4Confident38 Ų3857.3 Ų57.331%0.31431%0.308SS..THydrogen-bonded Turntrans-65.2-17.7-176.700000113.7D221 Y265 V269D221-A267 HydrophobicContact CB-CB 4.4Å; D221-A267 VanDerWaalsContact OD2-CB 3.24Å; D221-A267 WeakPolarHBondContact OD2-CB 3.25Å; Y265-A267 HydrophobicContact CE2-CB 3.89Å; A267-V269 VanDerWaalsContact C-N 3.32Å
268F80Confident82.7Confident196 Ų19657.6 Ų57.686%0.8630%0.302SS*.THydrogen-bonded Turntrans-77.8-18.8173.4-64.1-78.5000112.9D266D266-F268 PolarHBondContact O-N 2.65Å; D266-F268 WeakPolarHBondContact OD1-CB 3.2Å; D266-F268 WeakPolarHBondContact OD1-CD2 3.39Å; D266-F268 PolarHBondContact OD1-N 2.96Å
269V84.2Confident84Confident81 Ų8154.6 Ų54.649%0.49128%0.277SS..THydrogen-bonded Turntrans-105.1-41.5-176.5-175.50000112D247 D266 A267D247-V269 HydrophobicContact CB-CG1 4.15Å; D247-V269 WeakPolarHBondContact O-CG1 3.42Å; D266-V269 HydrophobicContact CB-CB 4.36Å; D266-V269 HydrophobicContact CB-CG2 4.13Å; D266-V269 PolarHBondContact O-N 2.99Å; A267-V269 VanDerWaalsContact C-N 3.32Å
270V85.4Confident84.8Confident6 Ų657.4 Ų57.44%0.03628%0.284CS..  trans-141.1140.5-175.169.40000111.4V246 V249 Y265 D266 Q274 I275V246-V270 HydrophobicContact CG1-CG2 4.05Å; V249-V270 HydrophobicContact CG2-CG1 4.36Å; Y265-V270 HydrophobicContact CD2-CG1 3.83Å; Y265-V270 WeakPolarHBondContact CD2-O 3.37Å; Y265-V270 VanDerWaalsContact CE2-O 3.24Å; Y265-V270 WeakPolarHBondContact CE2-O 3.42Å; Y265-V270 HydrophobicContact CG-CG1 4.17Å; D266-V270 PolarHBondContact O-N 2.81Å; V270-Q274 HydrophobicContact CG2-CB 4.01Å; V270-I275 HydrophobicContact CG1-CD1 4.04Å; V270-I275 HydrophobicContact CG1-CG1 4.34Å; V270-I275 HydrophobicContact CG2-CD1 4.37Å; V270-I275 HydrophobicContact CG2-CG1 3.76Å
271L85.3Confident85.1Confident104 Ų10458.4 Ų58.455%0.54529%0.294SS..  trans-95.3147.9175.7-73.5151.9000110.8N273 Q274 I275L271-N273 PolarHBondContact O-N 3.34Å; L271-N273 VanDerWaalsContact O-N 3.13Å; L271-Q274 HydrophobicContact CB-CG 4.22Å; L271-Q274 WeakPolarHBondContact O-CB 3.4Å; L271-Q274 PolarHBondContact O-N 3.44Å; L271-I275 PolarHBondContact O-N 2.94Å
272P85.9Confident85Confident24 Ų2460 Ų6016%0.15630%0.302CS..Hα-helixtrans-50.5-40.8178.5-30.936.2000114.4C223 Y265 Q274 I275 A276 V288C223-P272 HydrophobicContact CB-CB 4.06Å; C223-P272 HydrophobicContact CB-CG 4.06Å; Y265-P272 HydrophobicContact CE1-CG 3.98Å; Y265-P272 HydrophobicContact CE2-CG 4.11Å; Y265-P272 VanDerWaalsContact CZ-CG 3.47Å; Y265-P272 WeakPolarHBondContact OH-CD 3.41Å; Y265-P272 WeakPolarHBondContact OH-CG 3.44Å; P272-Q274 VanDerWaalsContact C-N 3.28Å; P272-Q274 PolarHBondContact O-N 3.38Å; P272-I275 WeakPolarHBondContact O-CB 3.41Å; P272-I275 PolarHBondContact O-N 3.04Å; P272-I275 VanDerWaalsContact O-N 3.14Å; P272-A276 PolarHBondContact O-N 3.23Å; P272-V288 HydrophobicContact CB-CG1 3.83Å; P272-V288 HydrophobicContact CB-CG2 3.85Å
273N87.1Confident84.8Confident111 Ų11160 Ų6059%0.59432%0.319SS*.Hα-helixtrans-64.3-32.5179-71.5-24.1000112.4L271 I275 A276 L277 V288L271-N273 PolarHBondContact O-N 3.34Å; L271-N273 VanDerWaalsContact O-N 3.13Å; N273-I275 VanDerWaalsContact C-N 3.34Å; N273-A276 PolarHBondContact O-N 2.93Å; N273-L277 WeakPolarHBondContact O-CB 3.43Å; N273-L277 VanDerWaalsContact O-CG 3.27Å; N273-L277 WeakPolarHBondContact O-CG 3.13Å; N273-L277 PolarHBondContact O-N 3.12Å; N273-V288 WeakPolarHBondContact OD1-CG2 3.47Å
274Q86.9Confident84.6Confident100 Ų10060.4 Ų60.447%0.46732%0.321SS..Hα-helixtrans-69.5-35.8175.4-63.9173.3-1600111.3V270 L271 P272 R278V270-Q274 HydrophobicContact CG2-CB 4.01Å; L271-Q274 HydrophobicContact CB-CG 4.22Å; L271-Q274 WeakPolarHBondContact O-CB 3.4Å; L271-Q274 PolarHBondContact O-N 3.44Å; P272-Q274 VanDerWaalsContact C-N 3.28Å; P272-Q274 PolarHBondContact O-N 3.38Å; Q274-R278 PolarHBondContact O-N 2.85Å
275I89Confident84.4Confident0 Ų063.2 Ų63.20%034%0.336CS..Hα-helixtrans-66.8-44.1174.8-54.1175.7000110.2I225 V243 V249 V263 Y265 V270 L271 P272 N273 R278 I279I225-I275 HydrophobicContact CD1-CB 3.93Å; I225-I275 HydrophobicContact CD1-CG2 3.54Å; V243-I275 HydrophobicContact CG1-CG2 3.65Å; V249-I275 HydrophobicContact CG2-CD1 4.12Å; V263-I275 HydrophobicContact CG1-CD1 3.86Å; V263-I275 HydrophobicContact CG1-CG2 4.47Å; V263-I275 HydrophobicContact CG2-CG2 4.25Å; Y265-I275 HydrophobicContact CD1-CD1 4.18Å; Y265-I275 HydrophobicContact CD2-CD1 4.48Å; Y265-I275 HydrophobicContact CG-CD1 3.93Å; V270-I275 HydrophobicContact CG1-CD1 4.04Å; V270-I275 HydrophobicContact CG1-CG1 4.34Å; V270-I275 HydrophobicContact CG2-CD1 4.37Å; V270-I275 HydrophobicContact CG2-CG1 3.76Å; L271-I275 PolarHBondContact O-N 2.94Å; P272-I275 WeakPolarHBondContact O-CB 3.41Å; P272-I275 PolarHBondContact O-N 3.04Å; P272-I275 VanDerWaalsContact O-N 3.14Å; N273-I275 VanDerWaalsContact C-N 3.34Å; I275-R278 WeakPolarHBondContact O-CB 3.38Å; I275-R278 PolarHBondContact O-N 3.07Å; I275-I279 HydrophobicContact CG2-CD1 4.37Å; I275-I279 WeakPolarHBondContact O-CG1 3.2Å; I275-I279 PolarHBondContact O-N 3.5Å; I275-I279 VanDerWaalsContact O-N 3.15Å
276A89Confident84.3Confident6 Ų662.6 Ų62.65%0.0534%0.335CS..Hα-helixtrans-60.8-47.7175.900000111.9I225 P272 N273 R278 I279 E280 A286 V288I225-A276 HydrophobicContact CG2-CB 4.21Å; P272-A276 PolarHBondContact O-N 3.23Å; N273-A276 PolarHBondContact O-N 2.93Å; A276-R278 PolarHBondContact O-N 3.42Å; A276-I279 WeakPolarHBondContact O-CA 3.28Å; A276-I279 WeakPolarHBondContact O-CB 3.4Å; A276-I279 PolarHBondContact O-N 3.45Å; A276-E280 PolarHBondContact O-N 3.09Å; A276-A286 HydrophobicContact CB-CB 4.39Å; A276-V288 HydrophobicContact CB-CG2 3.79Å
277L87Confident84.2Confident96 Ų9668.5 Ų68.550%0.50336%0.362SS..Hα-helixtrans-56.4-38.4174.1-75.3167.3000112.1N273 I279 E280 D281N273-L277 WeakPolarHBondContact O-CB 3.43Å; N273-L277 VanDerWaalsContact O-CG 3.27Å; N273-L277 WeakPolarHBondContact O-CG 3.13Å; N273-L277 PolarHBondContact O-N 3.12Å; L277-I279 PolarHBondContact O-N 2.83Å; L277-E280 WeakPolarHBondContact O-CB 3.48Å; L277-E280 PolarHBondContact O-N 3.41Å; L277-E280 VanDerWaalsContact O-N 3.17Å; L277-D281 PolarHBondContact O-N 2.89Å
278R85.8Confident84.1Confident121 Ų12168.5 Ų68.546%0.45736%0.358SS..Hα-helixtrans-66.6-27.8176.5-156.868.7-177.3131.9-3.6113.1V246 Q274 I275 A276 D281V246-R278 HydrophobicContact CG2-CG 4.19Å; Q274-R278 PolarHBondContact O-N 2.85Å; I275-R278 WeakPolarHBondContact O-CB 3.38Å; I275-R278 PolarHBondContact O-N 3.07Å; A276-R278 PolarHBondContact O-N 3.42Å; R278-D281 IonicContact CZ-OD2 3.7Å; R278-D281 IonicContact NH1-OD2 2.67Å; R278-D281 PolarHBondContact NH1-OD2 3.24Å
279I87Confident83.7Confident1 Ų161.7 Ų61.71%0.00533%0.332CS..Hα-helixtrans-76.8-37.1173.6-62.3163.2000110.7I225 I227 I239 V243 I275 A276 L277 M282 F284 A286I225-I279 HydrophobicContact CD1-CD1 3.94Å; I225-I279 HydrophobicContact CG2-CD1 4.12Å; I227-I279 HydrophobicContact CD1-CD1 3.98Å; I227-I279 HydrophobicContact CD1-CG2 3.99Å; I227-I279 HydrophobicContact CG1-CG2 4.2Å; I227-I279 HydrophobicContact CG2-CG2 3.98Å; I239-I279 HydrophobicContact CG2-CD1 4.42Å; I239-I279 HydrophobicContact CG2-CG1 4.29Å; V243-I279 HydrophobicContact CG2-CD1 4.17Å; V243-I279 HydrophobicContact CG2-CG1 3.82Å; I275-I279 HydrophobicContact CG2-CD1 4.37Å; I275-I279 WeakPolarHBondContact O-CG1 3.2Å; I275-I279 PolarHBondContact O-N 3.5Å; I275-I279 VanDerWaalsContact O-N 3.15Å; A276-I279 WeakPolarHBondContact O-CA 3.28Å; A276-I279 WeakPolarHBondContact O-CB 3.4Å; A276-I279 PolarHBondContact O-N 3.45Å; L277-I279 PolarHBondContact O-N 2.83Å; I279-M282 HydrophobicContact CB-CE 4.05Å; I279-M282 HydrophobicContact CG1-CE 3.79Å; I279-M282 HydrophobicContact CG2-CE 4.24Å; I279-M282 WeakPolarHBondContact O-CB 3.32Å; I279-M282 PolarHBondContact O-N 2.89Å; I279-M282 VanDerWaalsContact O-N 3.13Å; I279-F284 CarbonylContact C-O 3.51Å; I279-F284 HydrophobicContact CG2-CB 3.92Å; I279-F284 PolarHBondContact O-N 3.47Å; I279-A286 HydrophobicContact CB-CB 3.68Å; I279-A286 HydrophobicContact CG2-CB 3.59Å
280E85.7Confident82.4Confident82 Ų8265.7 Ų65.738%0.38335%0.345SS..Hα-helixtrans-62.4-41.2171.6-65.7-168.8150.200112.6A276 L277 M282 G283 F284 A286A276-E280 PolarHBondContact O-N 3.09Å; L277-E280 WeakPolarHBondContact O-CB 3.48Å; L277-E280 PolarHBondContact O-N 3.41Å; L277-E280 VanDerWaalsContact O-N 3.17Å; E280-M282 PolarHBondContact O-N 3.33Å; E280-M282 VanDerWaalsContact O-N 3.13Å; E280-G283 WeakPolarHBondContact O-CA 3.31Å; E280-G283 PolarHBondContact O-N 3.07Å; E280-F284 WeakPolarHBondContact CA-O 3.49Å; E280-F284 PolarHBondContact N-O 3.03Å; E280-A286 HydrophobicContact CG-CB 4.02Å; E280-A286 PolarHBondContact OE1-N 3.26Å
281D83.2Confident80.5Confident112 Ų11270.5 Ų70.560%0.59937%0.368SS*.THydrogen-bonded Turntrans-56.8-28.6173.3-74.2-17.1000112.8L277 R278 G283L277-D281 PolarHBondContact O-N 2.89Å; R278-D281 IonicContact CZ-OD2 3.7Å; R278-D281 IonicContact NH1-OD2 2.67Å; R278-D281 PolarHBondContact NH1-OD2 3.24Å; D281-G283 PolarHBondContact O-N 3.38Å
282M80.8Confident78.2Confident33 Ų3368.8 Ų68.816%0.16336%0.364CS..THydrogen-bonded Turntrans-78.3-5.2176-67.4-172.8-77.800113.2I239 T242 V243 I279 E280 F284I239-M282 HydrophobicContact CB-CE 4.21Å; I239-M282 HydrophobicContact CG1-CE 3.89Å; I239-M282 HydrophobicContact CG1-SD 4.45Å; I239-M282 HydrophobicContact CG2-CE 4.16Å; T242-M282 HydrophobicContact CG2-CG 4.48Å; T242-M282 HydrophobicContact CG2-SD 3.75Å; V243-M282 HydrophobicContact CG2-CE 4.19Å; I279-M282 HydrophobicContact CB-CE 4.05Å; I279-M282 HydrophobicContact CG1-CE 3.79Å; I279-M282 HydrophobicContact CG2-CE 4.24Å; I279-M282 WeakPolarHBondContact O-CB 3.32Å; I279-M282 PolarHBondContact O-N 2.89Å; I279-M282 VanDerWaalsContact O-N 3.13Å; E280-M282 PolarHBondContact O-N 3.33Å; E280-M282 VanDerWaalsContact O-N 3.13Å; M282-F284 HydrophobicContact CB-CD2 3.82Å; M282-F284 HydrophobicContact CB-CE2 4.06Å
283G75.1Confident76Confident64 Ų6475.9 Ų75.966%0.6640%0.396SS*.THydrogen-bonded Turntrans89.920.8-17800000114.6E280 D281E280-G283 WeakPolarHBondContact O-CA 3.31Å; E280-G283 PolarHBondContact O-N 3.07Å; D281-G283 PolarHBondContact O-N 3.38Å
284F82.2Confident73.9Confident10 Ų1076.2 Ų76.24%0.04441%0.413CS..  trans-115124.5174.4-56.6-78000110I227 M230 C235 I239 I279 E280 M282 A286I227-F284 HydrophobicContact CG2-CB 3.66Å; I227-F284 HydrophobicContact CG2-CG 4.26Å; M230-F284 HydrophobicContact CG-CD1 4.19Å; M230-F284 HydrophobicContact CG-CE1 4.41Å; C235-F284 HydrophobicContact CB-CE1 3.89Å; C235-F284 HydrophobicContact CB-CZ 3.7Å; I239-F284 HydrophobicContact CD1-CD2 3.9Å; I239-F284 HydrophobicContact CD1-CE2 3.94Å; I239-F284 HydrophobicContact CD1-CG 4.25Å; I239-F284 HydrophobicContact CD1-CZ 4.33Å; I239-F284 HydrophobicContact CG1-CD2 3.99Å; I239-F284 HydrophobicContact CG1-CE2 3.89Å; I279-F284 CarbonylContact C-O 3.51Å; I279-F284 HydrophobicContact CG2-CB 3.92Å; I279-F284 PolarHBondContact O-N 3.47Å; E280-F284 WeakPolarHBondContact CA-O 3.49Å; E280-F284 PolarHBondContact N-O 3.03Å; M282-F284 HydrophobicContact CB-CD2 3.82Å; M282-F284 HydrophobicContact CB-CE2 4.06Å; F284-A286 PolarHBondContact O-N 3.21Å
285N78.9Confident72.3Confident108 Ų10873.1 Ų73.158%0.57841%0.405SS*.  trans-63.2124.9175.1-69.6-11.2000109.4I227 Q228I227-N285 CarbonylContact C-O 3.58Å; I227-N285 WeakPolarHBondContact CA-O 3.37Å; Q228-N285 HydrophobicContact CB-CB 4.26Å; Q228-N285 PolarHBondContact N-O 2.77Å; Q228-N285 PolarHBondContact O-N 3.43Å
286A83.9Confident71.1Confident5 Ų576.6 Ų76.64%0.04142%0.421CS..EExtended strand (participates in β ladder)trans-135125.9-173.200000111.8I225 A226 A276 I279 E280 F284I225-A286 HydrophobicContact CG2-CB 3.89Å; A226-A286 CarbonylContact O-C 3.47Å; A226-A286 VanDerWaalsContact O-CA 3.26Å; A226-A286 WeakPolarHBondContact O-CA 3.27Å; A276-A286 HydrophobicContact CB-CB 4.39Å; I279-A286 HydrophobicContact CB-CB 3.68Å; I279-A286 HydrophobicContact CG2-CB 3.59Å; E280-A286 HydrophobicContact CG-CB 4.02Å; E280-A286 PolarHBondContact OE1-N 3.26Å; F284-A286 PolarHBondContact O-N 3.21Å
287Q83Confident70.1Confident141 Ų14180.5 Ų80.566%0.65944%0.435SS*.EExtended strand (participates in β ladder)trans-126.1132.3179.7-68.4179.9-8.900109.7I225 A226 V289I225-Q287 CarbonylContact C-O 3.46Å; I225-Q287 WeakPolarHBondContact CA-O 3.42Å; A226-Q287 PolarHBondContact N-O 2.87Å; A226-Q287 PolarHBondContact O-N 3.17Å; Q287-V289 PolarHBondContact O-N 3.22Å
288V81.1Confident69.5Low38 Ų3882.2 Ų82.223%0.2344%0.438CS..EExtended strand (participates in β ladder)trans-67.6120.8173.8-175.90000108P272 N273 A276P272-V288 HydrophobicContact CB-CG1 3.83Å; P272-V288 HydrophobicContact CB-CG2 3.85Å; N273-V288 WeakPolarHBondContact OD1-CG2 3.47Å; A276-V288 HydrophobicContact CB-CG2 3.79Å
289V71.8Confident69.3Low52 Ų5277.1 Ų77.132%0.31542%0.42SS..EExtended strand (participates in β ladder)trans-86.9107.8169.9-176.10000105.6T224 A226 Q287 E291T224-V289 WeakPolarHBondContact O-CA 3.26Å; T224-V289 WeakPolarHBondContact O-CB 3.37Å; T224-V289 PolarHBondContact O-N 3.26Å; A226-V289 HydrophobicContact CB-CG2 3.6Å; Q287-V289 PolarHBondContact O-N 3.22Å; V289-E291 PolarHBondContact O-N 3.04Å
290E56.7Low69.2Low165 Ų16580 Ų8077%0.77143%0.433SS*.  trans-61.5106.3172.1-71.2-178.3166.600108.7S292E290-S292 PolarHBondContact O-N 3.01Å
291E46Very low69.2Low108 Ų10876.1 Ų76.151%0.50542%0.415SS..  trans-73.669.9161.2-85.8175.8-171.300107.7T224 V289 Q293T224-E291 PolarHBondContact OG1-OE1 2.88Å; V289-E291 PolarHBondContact O-N 3.04Å; E291-Q293 PolarHBondContact O-N 3.24Å
292S36.4Very low69.4Low68 Ų6872.6 Ų72.648%0.47640%0.399SS..  trans-67.588.9166-71.40000108.1E290 A294E290-S292 PolarHBondContact O-N 3.01Å; S292-A294 PolarHBondContact O-N 3.5Å; S292-A294 VanDerWaalsContact O-N 3.12Å
293Q39.2Very low69.8Low173 Ų17371.1 Ų71.181%0.80839%0.392SS*.THydrogen-bonded Turntrans18.382.6152.1-63.3-177.9-7.800114.9E291 A295E291-Q293 PolarHBondContact O-N 3.24Å; Q293-A295 WeakPolarHBondContact O-CA 3.16Å; Q293-A295 WeakPolarHBondContact O-CB 3.5Å; Q293-A295 PolarHBondContact O-N 3.45Å
294A44.1Very low70.4Confident117 Ų11771 Ų7197%0.96738%0.381SS*.THydrogen-bonded Turntrans44.95.3154.600000120.3S292S292-A294 PolarHBondContact O-N 3.5Å; S292-A294 VanDerWaalsContact O-N 3.12Å
295A51.9Low70.5Confident35 Ų3573 Ų7329%0.28941%0.405SS..THydrogen-bonded Turntrans-118.3-14.1-162.600000112.2Q293 D342 P343Q293-A295 WeakPolarHBondContact O-CA 3.16Å; Q293-A295 WeakPolarHBondContact O-CB 3.5Å; Q293-A295 PolarHBondContact O-N 3.45Å; A295-D342 VanDerWaalsContact O-CA 3.26Å; A295-D342 WeakPolarHBondContact O-CA 3.22Å; A295-P343 WeakPolarHBondContact O-CD 3.26Å
296H64.1Low70.9Confident74 Ų7468.7 Ų68.734%0.34338%0.381SS..  trans-123.6124.5-179-52.3-59.6000111.2E326 F341H296-E326 IonicContact CD2-OE2 2.78Å; H296-E326 IonicContact CE1-OE1 2.72Å; H296-E326 PolarHBondContact CE1-OE1 2.94Å; H296-E326 IonicContact CE1-OE2 3.54Å; H296-E326 PolarHBondContact CE1-OE2 3.38Å; H296-E326 IonicContact CG-OE2 3.37Å; H296-E326 VanDerWaalsContact CG-OE2 3.23Å; H296-E326 IonicContact ND1-OE1 2.88Å; H296-E326 PolarHBondContact ND1-OE1 2.76Å; H296-E326 IonicContact ND1-OE2 2.69Å; H296-E326 PolarHBondContact ND1-OE2 2.97Å; H296-E326 IonicContact NE2-OE1 3.45Å; H296-E326 PolarHBondContact NE2-OE1 3.46Å; H296-E326 IonicContact NE2-OE2 3.56Å; H296-F341 WeakPolarHBondContact CA-O 3.31Å
297R67.5Low71Confident88 Ų8874.3 Ų74.333%0.33242%0.415SS..EExtended strand (participates in β ladder)trans-100.6138.4172.1-76.4-171.8177.6179.6-3109.7T340 F341 P343R297-T340 WeakPolarHBondContact O-CA 3.35Å; R297-F341 HydrophobicContact CB-CE1 3.95Å; R297-F341 HydrophobicContact CB-CZ 3.99Å; R297-F341 PolarHBondContact N-O 3.47Å; R297-F341 WeakPolarHBondContact O-CD1 3.38Å; R297-F341 PolarHBondContact O-N 3.04Å; R297-P343 HydrophobicContact CG-CB 4.38Å; R297-P343 HydrophobicContact CG-CG 4.06Å
298K75.9Confident71.3Confident131 Ų13170 Ų7057%0.5740%0.401SS*.EExtended strand (participates in β ladder)trans-96126.2171.6-167.3-172.9-174.1-155.90109.8E300 S338 F339 T340K298-E300 WeakPolarHBondContact CE-OE1 3.33Å; K298-E300 IonicContact NZ-OE1 2.59Å; K298-E300 PolarHBondContact NZ-OE1 2.71Å; K298-S338 WeakPolarHBondContact CE-OG 3.4Å; K298-F339 CarbonylContact C-O 3.53Å; K298-F339 WeakPolarHBondContact CA-O 3.49Å; K298-T340 HydrophobicContact CB-CG2 4.33Å; K298-T340 HydrophobicContact CG-CG2 4.14Å
299L81Confident71.6Confident14 Ų1472.2 Ų72.27%0.07342%0.418CS..EExtended strand (participates in β ladder)trans-115.6127.2178.117669.8000109.6L301 S338 F339 F341 A348 I351 L364L299-L301 HydrophobicContact CD1-CD2 3.91Å; L299-L301 HydrophobicContact CD1-CG 4.41Å; L299-L301 HydrophobicContact CD2-CD1 3.96Å; L299-L301 HydrophobicContact CD2-CD2 4.17Å; L299-L301 HydrophobicContact CD2-CG 4.04Å; L299-L301 HydrophobicContact CG-CD1 4.39Å; L299-L301 HydrophobicContact CG-CD2 3.97Å; L299-L301 HydrophobicContact CG-CG 3.92Å; L299-S338 CarbonylContact O-C 3.43Å; L299-S338 WeakPolarHBondContact O-CA 3.24Å; L299-F339 HydrophobicContact CB-CB 4.47Å; L299-F339 PolarHBondContact N-O 3.22Å; L299-F339 PolarHBondContact O-N 3.06Å; L299-F341 HydrophobicContact CB-CD1 4.27Å; L299-F341 HydrophobicContact CB-CE1 3.74Å; L299-F341 HydrophobicContact CD2-CE1 4.37Å; L299-A348 HydrophobicContact CD1-CB 4.19Å; L299-A348 HydrophobicContact CD2-CB 3.93Å; L299-I351 HydrophobicContact CD2-CB 4.35Å; L299-I351 HydrophobicContact CD2-CD1 4.23Å; L299-I351 HydrophobicContact CD2-CG2 4.3Å; L299-L364 HydrophobicContact CD1-CD2 3.35Å
300E84.9Confident72.4Confident62 Ų6272.8 Ų72.829%0.2943%0.428SS..EExtended strand (participates in β ladder)trans-113.8116.7175.4-70.5175.4177.700108.8K298 G337 L365K298-E300 WeakPolarHBondContact CE-OE1 3.33Å; K298-E300 IonicContact NZ-OE1 2.59Å; K298-E300 PolarHBondContact NZ-OE1 2.71Å; E300-G337 CarbonylContact C-O 3.44Å; E300-G337 WeakPolarHBondContact CA-O 3.26Å; E300-L365 HydrophobicContact CB-CB 4.35Å; E300-L365 PolarHBondContact O-N 2.96Å
301L85.7Confident73.9Confident0 Ų065.9 Ų65.90%040%0.397CS..EExtended strand (participates in β ladder)trans-114.2134.6-179.3-60.3177.4000109.5L299 I303 V336 G337 F339 I351 M352 I355 C362 E363 L364L299-L301 HydrophobicContact CD1-CD2 3.91Å; L299-L301 HydrophobicContact CD1-CG 4.41Å; L299-L301 HydrophobicContact CD2-CD1 3.96Å; L299-L301 HydrophobicContact CD2-CD2 4.17Å; L299-L301 HydrophobicContact CD2-CG 4.04Å; L299-L301 HydrophobicContact CG-CD1 4.39Å; L299-L301 HydrophobicContact CG-CD2 3.97Å; L299-L301 HydrophobicContact CG-CG 3.92Å; L301-I303 HydrophobicContact CB-CG1 4.2Å; L301-V336 CarbonylContact O-C 3.56Å; L301-V336 VanDerWaalsContact O-CA 3.31Å; L301-V336 WeakPolarHBondContact O-CA 3.46Å; L301-G337 PolarHBondContact N-O 3.41Å; L301-G337 PolarHBondContact O-N 3.41Å; L301-F339 HydrophobicContact CB-CE2 4.22Å; L301-F339 HydrophobicContact CD1-CD2 4.09Å; L301-F339 HydrophobicContact CD1-CE2 3.8Å; L301-F339 HydrophobicContact CG-CD2 4.31Å; L301-F339 HydrophobicContact CG-CE2 4.16Å; L301-I351 HydrophobicContact CD1-CG2 4.39Å; L301-M352 HydrophobicContact CD1-CG 3.72Å; L301-M352 HydrophobicContact CD2-CG 3.94Å; L301-M352 HydrophobicContact CD2-SD 4.02Å; L301-I355 HydrophobicContact CD1-CD1 3.73Å; L301-C362 HydrophobicContact CD1-CB 4.39Å; L301-E363 CarbonylContact C-O 3.49Å; L301-E363 WeakPolarHBondContact CA-O 3.47Å; L301-L364 HydrophobicContact CD2-CD2 3.77Å; L301-L364 HydrophobicContact CD2-CG 4.22Å
302S87.6Confident76Confident38 Ų3861.3 Ų61.327%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-75.8127.7158.364.90000108.7S335 C362 E363S302-S335 CarbonylContact C-O 2.86Å; S302-S335 WeakPolarHBondContact CA-O 3.42Å; S302-C362 CarbonylContact O-C 3.43Å; S302-C362 WeakPolarHBondContact O-CA 3.42Å; S302-E363 PolarHBondContact N-O 2.9Å; S302-E363 PolarHBondContact O-N 3.05Å; S302-E363 PolarHBondContact OG-O 3.38Å
303I89.6Confident78.5Confident2 Ų262.7 Ų62.71%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-121112.9-176.7-55.1174000107.7L301 M306 I315 V330 S335 F339 I355 F360 C362L301-I303 HydrophobicContact CB-CG1 4.2Å; I303-M306 HydrophobicContact CB-CE 3.85Å; I303-M306 HydrophobicContact CB-SD 4.17Å; I303-M306 HydrophobicContact CG2-CE 4.15Å; I303-M306 HydrophobicContact CG2-CG 3.87Å; I303-M306 HydrophobicContact CG2-SD 3.88Å; I303-M306 WeakPolarHBondContact O-CE 3.44Å; I303-I315 HydrophobicContact CD1-CD1 4.43Å; I303-I315 HydrophobicContact CD1-CG2 4.27Å; I303-I315 HydrophobicContact CG2-CD1 3.89Å; I303-V330 HydrophobicContact CD1-CG1 4.09Å; I303-V330 HydrophobicContact CD1-CG2 4.25Å; I303-S335 PolarHBondContact N-O 3.4Å; I303-S335 WeakPolarHBondContact O-CB 3.43Å; I303-F339 HydrophobicContact CD1-CE2 4.16Å; I303-F339 HydrophobicContact CD1-CZ 3.89Å; I303-I355 HydrophobicContact CD1-CD1 4.15Å; I303-I355 HydrophobicContact CG2-CG2 4.09Å; I303-F360 HydrophobicContact CG2-CB 3.88Å; I303-F360 HydrophobicContact CG2-CG 4.46Å; I303-C362 HydrophobicContact CG1-CB 4.22Å
304S86.7Confident81Confident61 Ų6161.8 Ų61.843%0.42737%0.368SS..EExtended strand (participates in β ladder)trans-97.3150.3178.463.80000111.3H361S304-H361 PolarHBondContact N-O 2.89Å; S304-H361 PolarHBondContact O-N 2.97Å; S304-H361 WeakPolarHBondContact OG-CB 3.49Å; S304-H361 PolarHBondContact OG-O 2.52Å
305G84.2Confident83.3Confident54 Ų5456.2 Ų56.256%0.55732%0.322SS*.  trans94.9-4.7-179.200000115.4T307G305-T307 PolarHBondContact O-N 2.76Å
306M87.9Confident85.2Confident16 Ų1656.5 Ų56.58%0.07932%0.317CS..  trans-72.9116.2171.8-60.2-174.3-61.800110.5I303 C311 V312 I315 V330 L332 F360I303-M306 HydrophobicContact CB-CE 3.85Å; I303-M306 HydrophobicContact CB-SD 4.17Å; I303-M306 HydrophobicContact CG2-CE 4.15Å; I303-M306 HydrophobicContact CG2-CG 3.87Å; I303-M306 HydrophobicContact CG2-SD 3.88Å; I303-M306 WeakPolarHBondContact O-CE 3.44Å; M306-C311 HydrophobicContact CB-CB 4.1Å; M306-C311 HydrophobicContact CG-CB 4.24Å; M306-V312 HydrophobicContact SD-CG2 4.27Å; M306-I315 HydrophobicContact CG-CD1 3.7Å; M306-I315 HydrophobicContact SD-CD1 3.47Å; M306-I315 WeakPolarHBondContact SD-CD1 2.98Å; M306-V330 HydrophobicContact CE-CG1 3.59Å; M306-V330 HydrophobicContact SD-CG1 3.34Å; M306-V330 WeakPolarHBondContact SD-CG1 3.28Å; M306-L332 HydrophobicContact CB-CD1 3.77Å; M306-L332 WeakPolarHBondContact O-CD1 3.33Å; M306-F360 HydrophobicContact CG-CD1 4.06Å; M306-F360 HydrophobicContact CG-CE1 4.17Å
307T86Confident86.5Confident123 Ų12356.5 Ų56.576%0.75533%0.326SS*.  trans-110.7-15.6-177.152.40000113.7G305G305-T307 PolarHBondContact O-N 2.76Å
308C88.2Confident87.6Confident52 Ų5254.7 Ų54.735%0.35132%0.324SS..SBendtrans-150.3164.6-176.663.50000112.1A310 C311 V312C308-A310 PolarHBondContact O-N 3.02Å; C308-C311 VanDerWaalsContact O-CB 3.29Å; C308-C311 WeakPolarHBondContact O-CB 3.45Å; C308-C311 PolarHBondContact O-N 2.89Å; C308-V312 PolarHBondContact O-N 3.19Å
309S87.3Confident88.3Confident84 Ų8448.4 Ų48.459%0.58730%0.297SS*.Hα-helixtrans-58.2-27.5175.153.20000113.4C311 V312 N313S309-C311 VanDerWaalsContact C-N 3.29Å; S309-C311 PolarHBondContact O-N 3.04Å; S309-V312 WeakPolarHBondContact O-CB 3.37Å; S309-V312 PolarHBondContact O-N 3.3Å; S309-N313 PolarHBondContact O-N 3.42Å
310A88.7Confident88.8Confident64 Ų6451.7 Ų51.753%0.52931%0.314SS..Hα-helixtrans-65.2-31172.900000113.1C308 R314C308-A310 PolarHBondContact O-N 3.02Å; A310-R314 VanDerWaalsContact O-CB 3.3Å; A310-R314 WeakPolarHBondContact O-CB 3.25Å; A310-R314 PolarHBondContact O-N 3.23Å; A310-R314 VanDerWaalsContact O-N 3.08Å
311C88.8Confident89.1Confident19 Ų1958.7 Ų58.713%0.12834%0.34CS..Hα-helixtrans-67.4-45.3173.2-63.60000110.4M306 C308 S309 R314 I315 F360M306-C311 HydrophobicContact CB-CB 4.1Å; M306-C311 HydrophobicContact CG-CB 4.24Å; C308-C311 VanDerWaalsContact O-CB 3.29Å; C308-C311 WeakPolarHBondContact O-CB 3.45Å; C308-C311 PolarHBondContact O-N 2.89Å; S309-C311 VanDerWaalsContact C-N 3.29Å; S309-C311 PolarHBondContact O-N 3.04Å; C311-R314 PolarHBondContact O-N 3.45Å; C311-I315 WeakPolarHBondContact O-CG1 3.49Å; C311-I315 PolarHBondContact O-N 2.97Å; C311-F360 HydrophobicContact CB-CE1 3.87Å; C311-F360 HydrophobicContact CB-CZ 3.6Å
312V90.1Very high89.2Confident13 Ų1360.5 Ų60.58%0.07935%0.349CS..Hα-helixtrans-55.3-55176168.70000110.6M306 C308 S309 R314 I315 E316 V330 L332M306-V312 HydrophobicContact SD-CG2 4.27Å; C308-V312 PolarHBondContact O-N 3.19Å; S309-V312 WeakPolarHBondContact O-CB 3.37Å; S309-V312 PolarHBondContact O-N 3.3Å; V312-R314 VanDerWaalsContact C-N 3.29Å; V312-R314 PolarHBondContact O-N 3.1Å; V312-I315 PolarHBondContact O-N 3.38Å; V312-I315 VanDerWaalsContact O-N 3.15Å; V312-E316 HydrophobicContact CG1-CG 4.43Å; V312-E316 WeakPolarHBondContact O-CG 3.36Å; V312-E316 PolarHBondContact O-N 2.77Å; V312-V330 HydrophobicContact CG1-CB 4.12Å; V312-V330 VanDerWaalsContact CG1-O 3.27Å; V312-V330 WeakPolarHBondContact CG1-O 3.47Å; V312-V330 HydrophobicContact CG2-CG1 4.39Å; V312-L332 HydrophobicContact CG2-CB 3.88Å; V312-L332 HydrophobicContact CG2-CD1 4.27Å
313N90Very high89.1Confident97 Ų9768.5 Ų68.552%0.51937%0.373SS..Hα-helixtrans-62-36.4-179-68.9-2.8000112.1S309 S317S309-N313 PolarHBondContact O-N 3.42Å; N313-S317 VanDerWaalsContact O-CB 3.29Å; N313-S317 WeakPolarHBondContact O-CB 3.12Å; N313-S317 PolarHBondContact O-N 2.9Å; N313-S317 PolarHBondContact O-OG 3.33Å
314R91.3Very high88.8Confident154 Ų15469.1 Ų69.158%0.58138%0.38SS*.Hα-helixtrans-65.8-41177.2-175.9178.3-88.2-165.7-5.7111.5A310 C311 V312 S317 T318 L358A310-R314 VanDerWaalsContact O-CB 3.3Å; A310-R314 WeakPolarHBondContact O-CB 3.25Å; A310-R314 PolarHBondContact O-N 3.23Å; A310-R314 VanDerWaalsContact O-N 3.08Å; C311-R314 PolarHBondContact O-N 3.45Å; V312-R314 VanDerWaalsContact C-N 3.29Å; V312-R314 PolarHBondContact O-N 3.1Å; R314-S317 PolarHBondContact O-OG 3.11Å; R314-T318 WeakPolarHBondContact O-CB 3.42Å; R314-T318 PolarHBondContact O-N 3.08Å; R314-T318 VanDerWaalsContact O-N 3.14Å; R314-T318 PolarHBondContact O-OG1 2.87Å; R314-L358 HydrophobicContact CG-CD2 4.19Å
315I91.6Very high88.8Confident0 Ų066.9 Ų66.90%036%0.364CS..Hα-helixtrans-67.6-50.8176.2-66168.7000110.3I303 M306 C311 V312 S317 T318 V319 V330 F339 I355 L358 F360I303-I315 HydrophobicContact CD1-CD1 4.43Å; I303-I315 HydrophobicContact CD1-CG2 4.27Å; I303-I315 HydrophobicContact CG2-CD1 3.89Å; M306-I315 HydrophobicContact CG-CD1 3.7Å; M306-I315 HydrophobicContact SD-CD1 3.47Å; M306-I315 WeakPolarHBondContact SD-CD1 2.98Å; C311-I315 WeakPolarHBondContact O-CG1 3.49Å; C311-I315 PolarHBondContact O-N 2.97Å; V312-I315 PolarHBondContact O-N 3.38Å; V312-I315 VanDerWaalsContact O-N 3.15Å; I315-S317 PolarHBondContact O-N 3.23Å; I315-T318 PolarHBondContact O-N 2.92Å; I315-V319 HydrophobicContact CG2-CG2 4.16Å; I315-V319 WeakPolarHBondContact O-CB 3.11Å; I315-V319 VanDerWaalsContact O-CG2 3.29Å; I315-V319 WeakPolarHBondContact O-CG2 3.39Å; I315-V319 PolarHBondContact O-N 3.35Å; I315-V330 HydrophobicContact CB-CG2 4.48Å; I315-V330 HydrophobicContact CG2-CG2 3.87Å; I315-F339 HydrophobicContact CG2-CE1 4.37Å; I315-F339 HydrophobicContact CG2-CZ 4.19Å; I315-I355 HydrophobicContact CG2-CD1 4.38Å; I315-I355 HydrophobicContact CG2-CG1 4.11Å; I315-L358 HydrophobicContact CG1-CD1 4.15Å; I315-F360 HydrophobicContact CD1-CD1 4.46Å; I315-F360 HydrophobicContact CD1-CD2 3.57Å; I315-F360 HydrophobicContact CD1-CE2 3.81Å; I315-F360 HydrophobicContact CD1-CG 3.93Å; I315-F360 HydrophobicContact CD1-CZ 4.36Å; I315-F360 HydrophobicContact CG1-CD2 3.65Å; I315-F360 HydrophobicContact CG1-CE2 3.68Å; I315-F360 HydrophobicContact CG1-CG 4.48Å
316E93.1Very high88.9Confident41 Ų4169.4 Ų69.419%0.19236%0.361CS..Hα-helixtrans-56.8-50.4-179.4-71.8-178162.800111.2V312 T318 V319 L320 H329 V330V312-E316 HydrophobicContact CG1-CG 4.43Å; V312-E316 WeakPolarHBondContact O-CG 3.36Å; V312-E316 PolarHBondContact O-N 2.77Å; E316-T318 PolarHBondContact O-N 3.41Å; E316-V319 PolarHBondContact O-N 2.77Å; E316-L320 VanDerWaalsContact O-CB 3.24Å; E316-L320 WeakPolarHBondContact O-CB 3.15Å; E316-L320 WeakPolarHBondContact O-CD1 3.41Å; E316-L320 WeakPolarHBondContact O-CG 3.24Å; E316-L320 PolarHBondContact O-N 2.8Å; E316-H329 WeakPolarHBondContact OE1-CA 3.45Å; E316-V330 HydrophobicContact CG-CB 4.12Å; E316-V330 HydrophobicContact CG-CG2 3.87Å; E316-V330 PolarHBondContact OE1-N 3.09Å
317S90.7Very high88.9Confident74 Ų7470 Ų7052%0.51737%0.367SS..Hα-helixtrans-64.1-38.1-179.954.20000114N313 R314 I315 Y321N313-S317 VanDerWaalsContact O-CB 3.29Å; N313-S317 WeakPolarHBondContact O-CB 3.12Å; N313-S317 PolarHBondContact O-N 2.9Å; N313-S317 PolarHBondContact O-OG 3.33Å; R314-S317 PolarHBondContact O-OG 3.11Å; I315-S317 PolarHBondContact O-N 3.23Å; S317-Y321 PolarHBondContact O-N 2.84Å
318T90.7Very high89.1Confident49 Ų4964.4 Ų64.430%0.30133%0.333SS..Hα-helixtrans-70.9-43.6178.6-53.60000111.1R314 I315 E316 Y321 L358R314-T318 WeakPolarHBondContact O-CB 3.42Å; R314-T318 PolarHBondContact O-N 3.08Å; R314-T318 VanDerWaalsContact O-N 3.14Å; R314-T318 PolarHBondContact O-OG1 2.87Å; I315-T318 PolarHBondContact O-N 2.92Å; E316-T318 PolarHBondContact O-N 3.41Å; T318-Y321 WeakPolarHBondContact O-CB 3.29Å; T318-Y321 PolarHBondContact O-N 2.69Å; T318-L358 HydrophobicContact CG2-CD1 4.07Å; T318-L358 HydrophobicContact CG2-CD2 4.31Å; T318-L358 HydrophobicContact CG2-CG 4.38Å
319V90.7Very high89.2Confident0 Ų067.8 Ų67.80%034%0.344CS..Hα-helixtrans-71.3-37.8-178.31780000111.2I315 E316 Y321 I322 V325 A328 F339 I351 I355I315-V319 HydrophobicContact CG2-CG2 4.16Å; I315-V319 WeakPolarHBondContact O-CB 3.11Å; I315-V319 VanDerWaalsContact O-CG2 3.29Å; I315-V319 WeakPolarHBondContact O-CG2 3.39Å; I315-V319 PolarHBondContact O-N 3.35Å; E316-V319 PolarHBondContact O-N 2.77Å; V319-Y321 PolarHBondContact O-N 3.01Å; V319-I322 HydrophobicContact CG1-CD1 4.5Å; V319-I322 WeakPolarHBondContact O-CB 2.91Å; V319-I322 PolarHBondContact O-N 2.91Å; V319-I322 VanDerWaalsContact O-N 3.12Å; V319-V325 HydrophobicContact CG1-CG1 4.03Å; V319-V325 HydrophobicContact CG1-CG2 4.1Å; V319-V325 WeakPolarHBondContact O-CB 3.49Å; V319-V325 WeakPolarHBondContact O-CG2 3.43Å; V319-A328 HydrophobicContact CB-CB 4.27Å; V319-A328 HydrophobicContact CG1-CB 4.23Å; V319-F339 HydrophobicContact CB-CD1 4.19Å; V319-F339 HydrophobicContact CB-CE1 3.99Å; V319-F339 HydrophobicContact CG1-CD1 3.43Å; V319-F339 VanDerWaalsContact CG1-CD1 3.43Å; V319-F339 HydrophobicContact CG1-CE1 3.71Å; V319-F339 HydrophobicContact CG1-CG 4.27Å; V319-F339 HydrophobicContact CG2-CE1 4.03Å; V319-I351 HydrophobicContact CG1-CG1 4.44Å; V319-I351 HydrophobicContact CG1-CG2 3.74Å; V319-I351 HydrophobicContact CG2-CG2 4.33Å; V319-I355 HydrophobicContact CG2-CD1 4.25Å; V319-I355 HydrophobicContact CG2-CG1 3.86Å
320L91.5Very high89.4Confident83 Ų8364.4 Ų64.444%0.43532%0.319SS..Hα-helixtrans-61.3-26172.2-88.1154.3000113.4E316 I322 A328E316-L320 VanDerWaalsContact O-CB 3.24Å; E316-L320 WeakPolarHBondContact O-CB 3.15Å; E316-L320 WeakPolarHBondContact O-CD1 3.41Å; E316-L320 WeakPolarHBondContact O-CG 3.24Å; E316-L320 PolarHBondContact O-N 2.8Å; L320-I322 VanDerWaalsContact C-N 3.32Å; L320-A328 HydrophobicContact CD1-CB 4.14Å; L320-A328 HydrophobicContact CG-CB 3.82Å
321Y90.2Very high89.3Confident209 Ų20963.6 Ų63.682%0.8231%0.31SS*.Hα-helixtrans-76.4-19.7177.3-167.7-99.3000112.8S317 T318 V319 R323S317-Y321 PolarHBondContact O-N 2.84Å; T318-Y321 WeakPolarHBondContact O-CB 3.29Å; T318-Y321 PolarHBondContact O-N 2.69Å; V319-Y321 PolarHBondContact O-N 3.01Å; Y321-R323 PolarHBondContact O-N 2.98Å
322I87.8Confident89.2Confident38 Ų3865.9 Ų65.920%0.19532%0.321CS..SBendtrans-68.5122.9179.1-54.1174.8000109.1V319 L320 G324 V325 T346 I351 A354V319-I322 HydrophobicContact CG1-CD1 4.5Å; V319-I322 WeakPolarHBondContact O-CB 2.91Å; V319-I322 PolarHBondContact O-N 2.91Å; V319-I322 VanDerWaalsContact O-N 3.12Å; L320-I322 VanDerWaalsContact C-N 3.32Å; I322-G324 PolarHBondContact O-N 3.48Å; I322-V325 HydrophobicContact CB-CG2 3.99Å; I322-V325 HydrophobicContact CG2-CG2 4.45Å; I322-V325 PolarHBondContact O-N 3.37Å; I322-T346 HydrophobicContact CG2-CG2 3.83Å; I322-T346 WeakPolarHBondContact CG2-OG1 3.31Å; I322-I351 HydrophobicContact CD1-CG1 4.49Å; I322-A354 HydrophobicContact CD1-CB 3.54Å
323R86Confident88.9Confident205 Ų20570.1 Ų70.177%0.77436%0.357SS*.THydrogen-bonded Turntrans-58.7109-175.6-176.4-179178.7172.40.3111.8Y321 T346Y321-R323 PolarHBondContact O-N 2.98Å; R323-T346 PolarHBondContact O-OG1 3.19Å
324G83.1Confident88.6Confident16 Ų1669.8 Ų69.817%0.16536%0.358CS..THydrogen-bonded Turntrans114.7-8.8178.800000113.8I322 F341 D342I322-G324 PolarHBondContact O-N 3.48Å; G324-F341 CarbonylContact O-C 3.49Å; G324-F341 WeakPolarHBondContact O-CA 3.41Å; G324-D342 PolarHBondContact O-N 2.84Å
325V87.9Confident88.3Confident14 Ų1464.9 Ų64.99%0.08535%0.348CS..EExtended strand (participates in β ladder)trans-78129.8165.3-179.70000108.9V319 I322 F341 T346 I351V319-V325 HydrophobicContact CG1-CG1 4.03Å; V319-V325 HydrophobicContact CG1-CG2 4.1Å; V319-V325 WeakPolarHBondContact O-CB 3.49Å; V319-V325 WeakPolarHBondContact O-CG2 3.43Å; I322-V325 HydrophobicContact CB-CG2 3.99Å; I322-V325 HydrophobicContact CG2-CG2 4.45Å; I322-V325 PolarHBondContact O-N 3.37Å; V325-F341 HydrophobicContact CG2-CB 4.08Å; V325-T346 HydrophobicContact CG2-CG2 4.15Å; V325-I351 HydrophobicContact CG2-CD1 3.93Å; V325-I351 HydrophobicContact CG2-CG1 4.11Å
326E85.3Confident88.1Confident106 Ų10666.4 Ų66.450%0.49536%0.357SS..EExtended strand (participates in β ladder)trans-103.5-37.2-179.7-60.1-167.9142.300112.5H296 T340H296-E326 IonicContact CD2-OE2 2.78Å; H296-E326 IonicContact CE1-OE1 2.72Å; H296-E326 PolarHBondContact CE1-OE1 2.94Å; H296-E326 IonicContact CE1-OE2 3.54Å; H296-E326 PolarHBondContact CE1-OE2 3.38Å; H296-E326 IonicContact CG-OE2 3.37Å; H296-E326 VanDerWaalsContact CG-OE2 3.23Å; H296-E326 IonicContact ND1-OE1 2.88Å; H296-E326 PolarHBondContact ND1-OE1 2.76Å; H296-E326 IonicContact ND1-OE2 2.69Å; H296-E326 PolarHBondContact ND1-OE2 2.97Å; H296-E326 IonicContact NE2-OE1 3.45Å; H296-E326 PolarHBondContact NE2-OE1 3.46Å; H296-E326 IonicContact NE2-OE2 3.56Å; E326-T340 PolarHBondContact N-O 2.9Å
327S87.6Confident87.8Confident30 Ų3064.5 Ų64.521%0.2135%0.348CS..EExtended strand (participates in β ladder)trans-139143174.377.40000110.7F339 T340S327-F339 CarbonylContact O-C 3.59Å; S327-F339 WeakPolarHBondContact O-CA 3.3Å; S327-T340 WeakPolarHBondContact CB-OG1 3.5Å; S327-T340 PolarHBondContact N-O 3.26Å; S327-T340 PolarHBondContact N-OG1 3.26Å; S327-T340 PolarHBondContact O-N 3.28Å; S327-T340 PolarHBondContact OG-OG1 3.25Å
328A90.3Very high87.7Confident4 Ų462.2 Ų62.23%0.03333%0.332CS..EExtended strand (participates in β ladder)trans-135.5115.6171.800000107.8V319 L320 F339V319-A328 HydrophobicContact CB-CB 4.27Å; V319-A328 HydrophobicContact CG1-CB 4.23Å; L320-A328 HydrophobicContact CD1-CB 4.14Å; L320-A328 HydrophobicContact CG-CB 3.82Å; A328-F339 HydrophobicContact CB-CD1 3.56Å; A328-F339 HydrophobicContact CB-CE1 3.84Å
329H90.8Very high87.6Confident124 Ų12459.9 Ų59.957%0.57432%0.318SS*.EExtended strand (participates in β ladder)trans-126.9123.8177.7-73-61.8000109.8E316 G337 S338E316-H329 WeakPolarHBondContact OE1-CA 3.45Å; H329-G337 CarbonylContact O-C 3.52Å; H329-G337 WeakPolarHBondContact O-CA 3.3Å; H329-S338 PolarHBondContact N-O 3.09Å; H329-S338 PolarHBondContact O-N 3.32Å
330V90.5Very high87.4Confident12 Ų1261.4 Ų61.47%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-123.6122.2-177.5-175.60000110.5I303 M306 V312 I315 E316 F339I303-V330 HydrophobicContact CD1-CG1 4.09Å; I303-V330 HydrophobicContact CD1-CG2 4.25Å; M306-V330 HydrophobicContact CE-CG1 3.59Å; M306-V330 HydrophobicContact SD-CG1 3.34Å; M306-V330 WeakPolarHBondContact SD-CG1 3.28Å; V312-V330 HydrophobicContact CG1-CB 4.12Å; V312-V330 VanDerWaalsContact CG1-O 3.27Å; V312-V330 WeakPolarHBondContact CG1-O 3.47Å; V312-V330 HydrophobicContact CG2-CG1 4.39Å; I315-V330 HydrophobicContact CB-CG2 4.48Å; I315-V330 HydrophobicContact CG2-CG2 3.87Å; E316-V330 HydrophobicContact CG-CB 4.12Å; E316-V330 HydrophobicContact CG-CG2 3.87Å; E316-V330 PolarHBondContact OE1-N 3.09Å; V330-F339 HydrophobicContact CG2-CE1 4.02Å; V330-F339 HydrophobicContact CG2-CZ 3.83Å
331S86.7Confident87.1Confident48 Ų4857.9 Ų57.934%0.33631%0.308SS..EExtended strand (participates in β ladder)trans-97.5113.1178.6168.30000110.1A333 T334 S335 V336S331-A333 VanDerWaalsContact C-N 3.29Å; S331-A333 PolarHBondContact O-N 2.82Å; S331-T334 WeakPolarHBondContact CB-OG1 3.45Å; S331-T334 PolarHBondContact OG-N 3.25Å; S331-T334 PolarHBondContact OG-OG1 2.94Å; S331-S335 WeakPolarHBondContact O-CA 3.47Å; S331-S335 PolarHBondContact O-N 3.49Å; S331-V336 PolarHBondContact N-O 2.72Å; S331-V336 PolarHBondContact O-N 3.01Å
332L87.2Confident86.7Confident67 Ų6748.8 Ų48.835%0.35127%0.274SS..THydrogen-bonded Turntrans-62.1-37.5173.9-172.265.4000111.8M306 V312 T334 S335M306-L332 HydrophobicContact CB-CD1 3.77Å; M306-L332 WeakPolarHBondContact O-CD1 3.33Å; V312-L332 HydrophobicContact CG2-CB 3.88Å; V312-L332 HydrophobicContact CG2-CD1 4.27Å; L332-T334 VanDerWaalsContact C-N 3.33Å; L332-T334 PolarHBondContact O-N 2.82Å; L332-S335 PolarHBondContact O-N 2.9Å
333A84.4Confident85.9Confident101 Ų10149.6 Ų49.684%0.83528%0.282SS*.THydrogen-bonded Turntrans-65.9-35.2-175.400000112.9S331S331-A333 VanDerWaalsContact C-N 3.29Å; S331-A333 PolarHBondContact O-N 2.82Å
334T82.5Confident85.2Confident91 Ų9144.3 Ų44.356%0.55828%0.281SS*.THydrogen-bonded Turntrans-99.6-8.9177.754.70000112.5S331 L332 V336S331-T334 WeakPolarHBondContact CB-OG1 3.45Å; S331-T334 PolarHBondContact OG-N 3.25Å; S331-T334 PolarHBondContact OG-OG1 2.94Å; L332-T334 VanDerWaalsContact C-N 3.33Å; L332-T334 PolarHBondContact O-N 2.82Å; T334-V336 WeakPolarHBondContact O-CG2 3.36Å; T334-V336 PolarHBondContact O-N 2.94Å
335S86.4Confident85.1Confident51 Ų5149.6 Ų49.636%0.35730%0.3SS..THydrogen-bonded Turntrans53.538.6-169.4-59.70000112.3S302 I303 S331 L332S302-S335 CarbonylContact C-O 2.86Å; S302-S335 WeakPolarHBondContact CA-O 3.42Å; I303-S335 PolarHBondContact N-O 3.4Å; I303-S335 WeakPolarHBondContact O-CB 3.43Å; S331-S335 WeakPolarHBondContact O-CA 3.47Å; S331-S335 PolarHBondContact O-N 3.49Å; L332-S335 PolarHBondContact O-N 2.9Å
336V86.4Confident84.8Confident32 Ų3249.5 Ų49.519%0.19430%0.299CS..EExtended strand (participates in β ladder)trans-123131.1-178177.80000110.3L301 S331 T334 L365L301-V336 CarbonylContact O-C 3.56Å; L301-V336 VanDerWaalsContact O-CA 3.31Å; L301-V336 WeakPolarHBondContact O-CA 3.46Å; S331-V336 PolarHBondContact N-O 2.72Å; S331-V336 PolarHBondContact O-N 3.01Å; T334-V336 WeakPolarHBondContact O-CG2 3.36Å; T334-V336 PolarHBondContact O-N 2.94Å; V336-L365 HydrophobicContact CG2-CD1 3.98Å
337G87.1Confident84.5Confident0 Ų045.2 Ų45.20%028%0.281CS..EExtended strand (participates in β ladder)trans-103.3132.716800000111.8E300 L301 H329E300-G337 CarbonylContact C-O 3.44Å; E300-G337 WeakPolarHBondContact CA-O 3.26Å; L301-G337 PolarHBondContact N-O 3.41Å; L301-G337 PolarHBondContact O-N 3.41Å; H329-G337 CarbonylContact O-C 3.52Å; H329-G337 WeakPolarHBondContact O-CA 3.3Å
338S88.4Confident84.3Confident26 Ų2644.3 Ų44.318%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-113.7118.9173.2169.30000108.8K298 L299 H329K298-S338 WeakPolarHBondContact CE-OG 3.4Å; L299-S338 CarbonylContact O-C 3.43Å; L299-S338 WeakPolarHBondContact O-CA 3.24Å; H329-S338 PolarHBondContact N-O 3.09Å; H329-S338 PolarHBondContact O-N 3.32Å
339F88.9Confident84Confident0 Ų046.6 Ų46.60%028%0.283CS..EExtended strand (participates in β ladder)trans-122.4129.9-176.2-51.2-81.5000109.9K298 L299 L301 I303 I315 V319 S327 A328 V330 I351 I355K298-F339 CarbonylContact C-O 3.53Å; K298-F339 WeakPolarHBondContact CA-O 3.49Å; L299-F339 HydrophobicContact CB-CB 4.47Å; L299-F339 PolarHBondContact N-O 3.22Å; L299-F339 PolarHBondContact O-N 3.06Å; L301-F339 HydrophobicContact CB-CE2 4.22Å; L301-F339 HydrophobicContact CD1-CD2 4.09Å; L301-F339 HydrophobicContact CD1-CE2 3.8Å; L301-F339 HydrophobicContact CG-CD2 4.31Å; L301-F339 HydrophobicContact CG-CE2 4.16Å; I303-F339 HydrophobicContact CD1-CE2 4.16Å; I303-F339 HydrophobicContact CD1-CZ 3.89Å; I315-F339 HydrophobicContact CG2-CE1 4.37Å; I315-F339 HydrophobicContact CG2-CZ 4.19Å; V319-F339 HydrophobicContact CB-CD1 4.19Å; V319-F339 HydrophobicContact CB-CE1 3.99Å; V319-F339 HydrophobicContact CG1-CD1 3.43Å; V319-F339 VanDerWaalsContact CG1-CD1 3.43Å; V319-F339 HydrophobicContact CG1-CE1 3.71Å; V319-F339 HydrophobicContact CG1-CG 4.27Å; V319-F339 HydrophobicContact CG2-CE1 4.03Å; S327-F339 CarbonylContact O-C 3.59Å; S327-F339 WeakPolarHBondContact O-CA 3.3Å; A328-F339 HydrophobicContact CB-CD1 3.56Å; A328-F339 HydrophobicContact CB-CE1 3.84Å; V330-F339 HydrophobicContact CG2-CE1 4.02Å; V330-F339 HydrophobicContact CG2-CZ 3.83Å; F339-I351 HydrophobicContact CB-CD1 4.46Å; F339-I351 HydrophobicContact CD1-CG2 4.48Å; F339-I351 HydrophobicContact CD2-CG2 4.27Å; F339-I351 HydrophobicContact CG-CG2 4.22Å; F339-I355 HydrophobicContact CE2-CD1 3.94Å; F339-I355 HydrophobicContact CZ-CD1 3.72Å
340T85.7Confident83.7Confident33 Ų3342.9 Ų42.920%0.20227%0.271CS..EExtended strand (participates in β ladder)trans-105.3129.2168.361.60000109.4R297 K298 E326 S327R297-T340 WeakPolarHBondContact O-CA 3.35Å; K298-T340 HydrophobicContact CB-CG2 4.33Å; K298-T340 HydrophobicContact CG-CG2 4.14Å; E326-T340 PolarHBondContact N-O 2.9Å; S327-T340 WeakPolarHBondContact CB-OG1 3.5Å; S327-T340 PolarHBondContact N-O 3.26Å; S327-T340 PolarHBondContact N-OG1 3.26Å; S327-T340 PolarHBondContact O-N 3.28Å; S327-T340 PolarHBondContact OG-OG1 3.25Å
341F86.1Confident83.6Confident9 Ų942.3 Ų42.34%0.03927%0.268CS..EExtended strand (participates in β ladder)trans-146.3153.5-176.370-77.1000111.6H296 R297 L299 G324 V325 P343 T346 A348 I351H296-F341 WeakPolarHBondContact CA-O 3.31Å; R297-F341 HydrophobicContact CB-CE1 3.95Å; R297-F341 HydrophobicContact CB-CZ 3.99Å; R297-F341 PolarHBondContact N-O 3.47Å; R297-F341 WeakPolarHBondContact O-CD1 3.38Å; R297-F341 PolarHBondContact O-N 3.04Å; L299-F341 HydrophobicContact CB-CD1 4.27Å; L299-F341 HydrophobicContact CB-CE1 3.74Å; L299-F341 HydrophobicContact CD2-CE1 4.37Å; G324-F341 CarbonylContact O-C 3.49Å; G324-F341 WeakPolarHBondContact O-CA 3.41Å; V325-F341 HydrophobicContact CG2-CB 4.08Å; F341-P343 HydrophobicContact CE2-CB 4.35Å; F341-P343 WeakPolarHBondContact O-CD 3.31Å; F341-T346 HydrophobicContact CD2-CG2 4.26Å; F341-T346 VanDerWaalsContact CD2-O 3.24Å; F341-T346 WeakPolarHBondContact CD2-O 3.28Å; F341-T346 VanDerWaalsContact CE2-O 3.3Å; F341-T346 WeakPolarHBondContact CE2-O 3.27Å; F341-A348 HydrophobicContact CZ-CB 3.96Å; F341-I351 HydrophobicContact CB-CD1 3.95Å; F341-I351 HydrophobicContact CD1-CD1 3.68Å; F341-I351 HydrophobicContact CD2-CD1 4.27Å; F341-I351 HydrophobicContact CE1-CD1 4.31Å; F341-I351 HydrophobicContact CG-CD1 3.68Å
342D80.6Confident83.7Confident18 Ų1841 Ų4110%0.09626%0.257CS..  trans-81.2112.9173179.8-7.2000110A295 G324 A344 K345 T346A295-D342 VanDerWaalsContact O-CA 3.26Å; A295-D342 WeakPolarHBondContact O-CA 3.22Å; G324-D342 PolarHBondContact O-N 2.84Å; D342-A344 PolarHBondContact O-N 2.76Å; D342-A344 VanDerWaalsContact OD1-CB 3.3Å; D342-A344 WeakPolarHBondContact OD1-CB 3.28Å; D342-A344 PolarHBondContact OD1-N 2.92Å; D342-K345 HydrophobicContact CB-CB 4.45Å; D342-K345 PolarHBondContact O-N 2.84Å; D342-K345 IonicContact OD2-NZ 3.41Å; D342-K345 PolarHBondContact OD2-NZ 2.96Å; D342-T346 PolarHBondContact O-N 2.94Å
343P71.6Confident83.7Confident55 Ų5542.9 Ų42.936%0.35726%0.264SS..THydrogen-bonded Turntrans-67-14.6-177.730.2-33.8000113.2A295 R297 F341 T346A295-P343 WeakPolarHBondContact O-CD 3.26Å; R297-P343 HydrophobicContact CG-CB 4.38Å; R297-P343 HydrophobicContact CG-CG 4.06Å; F341-P343 HydrophobicContact CE2-CB 4.35Å; F341-P343 WeakPolarHBondContact O-CD 3.31Å; P343-T346 WeakPolarHBondContact CA-O 3.39Å
344A72.1Confident84Confident93 Ų9338.7 Ų38.777%0.76923%0.229SC*.THydrogen-bonded Turntrans-78.6-22.9173.900000112.6D342D342-A344 PolarHBondContact O-N 2.76Å; D342-A344 VanDerWaalsContact OD1-CB 3.3Å; D342-A344 WeakPolarHBondContact OD1-CB 3.28Å; D342-A344 PolarHBondContact OD1-N 2.92Å
345K80.2Confident84.4Confident128 Ų12834.4 Ų34.456%0.55720%0.202SC*.THydrogen-bonded Turntrans-108.3-39.4-176.8-65.2-177.5-172.21080113.5D342D342-K345 HydrophobicContact CB-CB 4.45Å; D342-K345 PolarHBondContact O-N 2.84Å; D342-K345 IonicContact OD2-NZ 3.41Å; D342-K345 PolarHBondContact OD2-NZ 2.96Å
346T82.2Confident84.6Confident11 Ų1136.3 Ų36.37%0.06721%0.206CC..  trans-131.4152.2-178.1-82.90000110.8I322 R323 V325 F341 D342 P343 I351I322-T346 HydrophobicContact CG2-CG2 3.83Å; I322-T346 WeakPolarHBondContact CG2-OG1 3.31Å; R323-T346 PolarHBondContact O-OG1 3.19Å; V325-T346 HydrophobicContact CG2-CG2 4.15Å; F341-T346 HydrophobicContact CD2-CG2 4.26Å; F341-T346 VanDerWaalsContact CD2-O 3.24Å; F341-T346 WeakPolarHBondContact CD2-O 3.28Å; F341-T346 VanDerWaalsContact CE2-O 3.3Å; F341-T346 WeakPolarHBondContact CE2-O 3.27Å; D342-T346 PolarHBondContact O-N 2.94Å; P343-T346 WeakPolarHBondContact CA-O 3.39Å; T346-I351 HydrophobicContact CG2-CD1 4Å; T346-I351 HydrophobicContact CG2-CG1 3.76Å
347S78.5Confident84.7Confident17 Ų1742.6 Ų42.612%0.11923%0.233CC..  trans-111.4141.5-172.7121.10000109.2R349 S350 I351 Q558S347-R349 PolarHBondContact O-N 3.37Å; S347-R349 PolarHBondContact OG-N 3.22Å; S347-S350 WeakPolarHBondContact CB-OG 3.34Å; S347-S350 WeakPolarHBondContact O-CB 3.15Å; S347-S350 PolarHBondContact O-N 3.32Å; S347-S350 PolarHBondContact OG-N 2.93Å; S347-S350 VanDerWaalsContact OG-N 3.07Å; S347-S350 PolarHBondContact OG-OG 3.06Å; S347-I351 PolarHBondContact O-N 2.76Å; S347-I351 VanDerWaalsContact O-N 3.15Å; S347-Q558 PolarHBondContact OG-NE2 2.95Å
348A83Confident84.8Confident10 Ų1044.9 Ų44.98%0.08325%0.245CC..Hα-helixtrans-56.8-36.3176.200000111.6L299 F341 S350 I351 M352 L556L299-A348 HydrophobicContact CD1-CB 4.19Å; L299-A348 HydrophobicContact CD2-CB 3.93Å; F341-A348 HydrophobicContact CZ-CB 3.96Å; A348-S350 VanDerWaalsContact C-N 3.31Å; A348-S350 PolarHBondContact O-N 2.78Å; A348-I351 PolarHBondContact O-N 3.39Å; A348-M352 WeakPolarHBondContact O-CG 3.14Å; A348-M352 PolarHBondContact O-N 2.98Å; A348-L556 HydrophobicContact CB-CD2 4.03Å
349R84.3Confident84.7Confident52 Ų5246.9 Ų46.920%0.19627%0.27CS..Hα-helixtrans-61.1-38.9173.9-63.7179.3-68-176.8-5.9112S347 M352 Q353 L556 Q558 D561S347-R349 PolarHBondContact O-N 3.37Å; S347-R349 PolarHBondContact OG-N 3.22Å; R349-M352 PolarHBondContact O-N 3.42Å; R349-Q353 VanDerWaalsContact O-CB 3.31Å; R349-Q353 WeakPolarHBondContact O-CB 3.1Å; R349-Q353 VanDerWaalsContact O-CG 3.23Å; R349-Q353 WeakPolarHBondContact O-CG 3.3Å; R349-Q353 PolarHBondContact O-N 3.46Å; R349-L556 HydrophobicContact CG-CB 4.06Å; R349-Q558 VanDerWaalsContact NH2-CD 3.34Å; R349-D561 IonicContact CZ-OD1 3.95Å; R349-D561 IonicContact CZ-OD2 3.7Å; R349-D561 IonicContact NH1-OD1 3.61Å; R349-D561 PolarHBondContact NH1-OD1 2.84Å; R349-D561 VanDerWaalsContact NH1-OD1 3.14Å; R349-D561 IonicContact NH1-OD2 3.98Å; R349-D561 PolarHBondContact NH1-OD2 2.81Å; R349-D561 IonicContact NH2-OD1 2.8Å; R349-D561 PolarHBondContact NH2-OD1 2.77Å; R349-D561 IonicContact NH2-OD2 2.74Å; R349-D561 PolarHBondContact NH2-OD2 2.75Å
350S85.2Confident84.7Confident46 Ų4647.9 Ų47.932%0.32227%0.274SS..Hα-helixtrans-68.9-36.1179.2-52.50000111.6S347 A348 A354S347-S350 WeakPolarHBondContact CB-OG 3.34Å; S347-S350 WeakPolarHBondContact O-CB 3.15Å; S347-S350 PolarHBondContact O-N 3.32Å; S347-S350 PolarHBondContact OG-N 2.93Å; S347-S350 VanDerWaalsContact OG-N 3.07Å; S347-S350 PolarHBondContact OG-OG 3.06Å; A348-S350 VanDerWaalsContact C-N 3.31Å; A348-S350 PolarHBondContact O-N 2.78Å; S350-A354 WeakPolarHBondContact O-CB 3.44Å; S350-A354 PolarHBondContact O-N 2.79Å
351I88.1Confident84.8Confident0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-65.7-46.8173.1-62.8171.3000110.3L299 L301 V319 I322 V325 F339 F341 T346 S347 A348 A354 I355L299-I351 HydrophobicContact CD2-CB 4.35Å; L299-I351 HydrophobicContact CD2-CD1 4.23Å; L299-I351 HydrophobicContact CD2-CG2 4.3Å; L301-I351 HydrophobicContact CD1-CG2 4.39Å; V319-I351 HydrophobicContact CG1-CG1 4.44Å; V319-I351 HydrophobicContact CG1-CG2 3.74Å; V319-I351 HydrophobicContact CG2-CG2 4.33Å; I322-I351 HydrophobicContact CD1-CG1 4.49Å; V325-I351 HydrophobicContact CG2-CD1 3.93Å; V325-I351 HydrophobicContact CG2-CG1 4.11Å; F339-I351 HydrophobicContact CB-CD1 4.46Å; F339-I351 HydrophobicContact CD1-CG2 4.48Å; F339-I351 HydrophobicContact CD2-CG2 4.27Å; F339-I351 HydrophobicContact CG-CG2 4.22Å; F341-I351 HydrophobicContact CB-CD1 3.95Å; F341-I351 HydrophobicContact CD1-CD1 3.68Å; F341-I351 HydrophobicContact CD2-CD1 4.27Å; F341-I351 HydrophobicContact CE1-CD1 4.31Å; F341-I351 HydrophobicContact CG-CD1 3.68Å; T346-I351 HydrophobicContact CG2-CD1 4Å; T346-I351 HydrophobicContact CG2-CG1 3.76Å; S347-I351 PolarHBondContact O-N 2.76Å; S347-I351 VanDerWaalsContact O-N 3.15Å; A348-I351 PolarHBondContact O-N 3.39Å; I351-A354 PolarHBondContact O-N 2.93Å; I351-I355 HydrophobicContact CG2-CD1 4.03Å; I351-I355 WeakPolarHBondContact O-CG1 3.33Å; I351-I355 PolarHBondContact O-N 3.34Å; I351-I355 VanDerWaalsContact O-N 3.08Å
352M89.1Confident84.8Confident22 Ų2250.5 Ų50.511%0.10828%0.284CS..Hα-helixtrans-61.6-47.4177.2-70179.67000112L301 A348 R349 A354 I355 E356 C362 L556L301-M352 HydrophobicContact CD1-CG 3.72Å; L301-M352 HydrophobicContact CD2-CG 3.94Å; L301-M352 HydrophobicContact CD2-SD 4.02Å; A348-M352 WeakPolarHBondContact O-CG 3.14Å; A348-M352 PolarHBondContact O-N 2.98Å; R349-M352 PolarHBondContact O-N 3.42Å; M352-A354 VanDerWaalsContact C-N 3.29Å; M352-A354 PolarHBondContact O-N 3.31Å; M352-I355 PolarHBondContact O-N 3.08Å; M352-I355 VanDerWaalsContact O-N 3.08Å; M352-E356 WeakPolarHBondContact O-CG 3.4Å; M352-E356 PolarHBondContact O-N 3.2Å; M352-C362 WeakPolarHBondContact CE-O 3.48Å; M352-L556 HydrophobicContact CE-CD1 4.41Å; M352-L556 HydrophobicContact SD-CD1 3.93Å; M352-L556 HydrophobicContact SD-CD2 3.59Å; M352-L556 VanDerWaalsContact SD-CD2 3.59Å; M352-L556 HydrophobicContact SD-CG 4.43Å
353Q87.9Confident84.8Confident106 Ų10654.9 Ų54.950%0.49530%0.304SS..Hα-helixtrans-59.2-38.9176-76.7174.2-9.600112.1R349 I355 E356 Q357R349-Q353 VanDerWaalsContact O-CB 3.31Å; R349-Q353 WeakPolarHBondContact O-CB 3.1Å; R349-Q353 VanDerWaalsContact O-CG 3.23Å; R349-Q353 WeakPolarHBondContact O-CG 3.3Å; R349-Q353 PolarHBondContact O-N 3.46Å; Q353-I355 VanDerWaalsContact C-N 3.34Å; Q353-E356 PolarHBondContact O-N 3.34Å; Q353-Q357 VanDerWaalsContact O-CB 3.32Å; Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 WeakPolarHBondContact O-CG 3.32Å; Q353-Q357 PolarHBondContact O-N 3Å
354A89.3Confident85.1Confident13 Ų1353.4 Ų53.411%0.10729%0.293CS..Hα-helixtrans-65.2-37.8175.900000112.1I322 S350 I351 M352 L358I322-A354 HydrophobicContact CD1-CB 3.54Å; S350-A354 WeakPolarHBondContact O-CB 3.44Å; S350-A354 PolarHBondContact O-N 2.79Å; I351-A354 PolarHBondContact O-N 2.93Å; M352-A354 VanDerWaalsContact C-N 3.29Å; M352-A354 PolarHBondContact O-N 3.31Å; A354-L358 WeakPolarHBondContact O-CG 3.48Å; A354-L358 PolarHBondContact O-N 2.9Å
355I90.8Very high85Confident0 Ų052.7 Ų52.70%028%0.276CS..Hα-helixtrans-68.9-41.5175.6-64.3167.3000110.7L301 I303 I315 V319 F339 I351 M352 Q353 L358 F360 C362L301-I355 HydrophobicContact CD1-CD1 3.73Å; I303-I355 HydrophobicContact CD1-CD1 4.15Å; I303-I355 HydrophobicContact CG2-CG2 4.09Å; I315-I355 HydrophobicContact CG2-CD1 4.38Å; I315-I355 HydrophobicContact CG2-CG1 4.11Å; V319-I355 HydrophobicContact CG2-CD1 4.25Å; V319-I355 HydrophobicContact CG2-CG1 3.86Å; F339-I355 HydrophobicContact CE2-CD1 3.94Å; F339-I355 HydrophobicContact CZ-CD1 3.72Å; I351-I355 HydrophobicContact CG2-CD1 4.03Å; I351-I355 WeakPolarHBondContact O-CG1 3.33Å; I351-I355 PolarHBondContact O-N 3.34Å; I351-I355 VanDerWaalsContact O-N 3.08Å; M352-I355 PolarHBondContact O-N 3.08Å; M352-I355 VanDerWaalsContact O-N 3.08Å; Q353-I355 VanDerWaalsContact C-N 3.34Å; I355-L358 WeakPolarHBondContact O-CB 3.25Å; I355-L358 PolarHBondContact O-N 2.76Å; I355-F360 CarbonylContact C-O 3.53Å; I355-F360 HydrophobicContact CG2-CB 3.81Å; I355-F360 PolarHBondContact O-N 2.83Å; I355-C362 HydrophobicContact CG2-CB 3.99Å
356E90.3Very high83.8Confident92 Ų9249.4 Ų49.443%0.4327%0.273SS..Hα-helixtrans-64.6-39.6175.7-72.8176.6175.700112.3M352 Q353 L358 G359 F360M352-E356 WeakPolarHBondContact O-CG 3.4Å; M352-E356 PolarHBondContact O-N 3.2Å; Q353-E356 PolarHBondContact O-N 3.34Å; E356-L358 PolarHBondContact O-N 3.1Å; E356-G359 WeakPolarHBondContact O-CA 3.23Å; E356-G359 PolarHBondContact O-N 3.45Å; E356-F360 VanDerWaalsContact CA-O 3.27Å; E356-F360 WeakPolarHBondContact CA-O 3.44Å
357Q89.6Confident82.5Confident163 Ų16355.2 Ų55.276%0.76230%0.297SS*.Hα-helixtrans-64-25.5174.4-76.2171.811.500112.9Q353 G359Q353-Q357 VanDerWaalsContact O-CB 3.32Å; Q353-Q357 WeakPolarHBondContact O-CB 3.46Å; Q353-Q357 WeakPolarHBondContact O-CG 3.32Å; Q353-Q357 PolarHBondContact O-N 3Å; Q357-G359 PolarHBondContact O-N 2.78Å
358L89Confident81Confident48 Ų4859.8 Ų59.825%0.25132%0.32SS..THydrogen-bonded Turntrans-76.6-7.5171.2-67.7172.4000113.2R314 I315 T318 A354 I355 E356 F360R314-L358 HydrophobicContact CG-CD2 4.19Å; I315-L358 HydrophobicContact CG1-CD1 4.15Å; T318-L358 HydrophobicContact CG2-CD1 4.07Å; T318-L358 HydrophobicContact CG2-CD2 4.31Å; T318-L358 HydrophobicContact CG2-CG 4.38Å; A354-L358 WeakPolarHBondContact O-CG 3.48Å; A354-L358 PolarHBondContact O-N 2.9Å; I355-L358 WeakPolarHBondContact O-CB 3.25Å; I355-L358 PolarHBondContact O-N 2.76Å; E356-L358 PolarHBondContact O-N 3.1Å; L358-F360 HydrophobicContact CB-CD2 3.75Å; L358-F360 HydrophobicContact CB-CE2 3.98Å
359G86.5Confident79.2Confident68 Ų6865.1 Ų65.170%0.70135%0.347SS*.THydrogen-bonded Turntrans9116.2-178.800000114.7E356 Q357E356-G359 WeakPolarHBondContact O-CA 3.23Å; E356-G359 PolarHBondContact O-N 3.45Å; Q357-G359 PolarHBondContact O-N 2.78Å
360F89.6Confident77.5Confident21 Ų2169.9 Ų69.99%0.09237%0.37CS..  trans-106.6135.9175.4-57.2-72.6000110.5I303 M306 C311 I315 I355 E356 L358I303-F360 HydrophobicContact CG2-CB 3.88Å; I303-F360 HydrophobicContact CG2-CG 4.46Å; M306-F360 HydrophobicContact CG-CD1 4.06Å; M306-F360 HydrophobicContact CG-CE1 4.17Å; C311-F360 HydrophobicContact CB-CE1 3.87Å; C311-F360 HydrophobicContact CB-CZ 3.6Å; I315-F360 HydrophobicContact CD1-CD1 4.46Å; I315-F360 HydrophobicContact CD1-CD2 3.57Å; I315-F360 HydrophobicContact CD1-CE2 3.81Å; I315-F360 HydrophobicContact CD1-CG 3.93Å; I315-F360 HydrophobicContact CD1-CZ 4.36Å; I315-F360 HydrophobicContact CG1-CD2 3.65Å; I315-F360 HydrophobicContact CG1-CE2 3.68Å; I315-F360 HydrophobicContact CG1-CG 4.48Å; I355-F360 CarbonylContact C-O 3.53Å; I355-F360 HydrophobicContact CG2-CB 3.81Å; I355-F360 PolarHBondContact O-N 2.83Å; E356-F360 VanDerWaalsContact CA-O 3.27Å; E356-F360 WeakPolarHBondContact CA-O 3.44Å; L358-F360 HydrophobicContact CB-CD2 3.75Å; L358-F360 HydrophobicContact CB-CE2 3.98Å
361H86.3Confident75.7Confident95 Ų9571.4 Ų71.444%0.4438%0.377SS..EExtended strand (participates in β ladder)trans-88.1126.7177.1-179.869.6000109.7S304 E363S304-H361 PolarHBondContact N-O 2.89Å; S304-H361 PolarHBondContact O-N 2.97Å; S304-H361 WeakPolarHBondContact OG-CB 3.49Å; S304-H361 PolarHBondContact OG-O 2.52Å; H361-E363 IonicContact CD2-OE1 3.23Å; H361-E363 IonicContact CE1-OE1 2.69Å; H361-E363 WeakPolarHBondContact NE2-CG 3.24Å; H361-E363 IonicContact NE2-OE1 3.76Å; H361-E363 PolarHBondContact NE2-OE1 2.81Å
362C86.2Confident73.7Confident2 Ų276.6 Ų76.61%0.01441%0.405CS..EExtended strand (participates in β ladder)trans-123.6136.6-178.561.60000112.6L301 S302 I303 M352 I355L301-C362 HydrophobicContact CD1-CB 4.39Å; S302-C362 CarbonylContact O-C 3.43Å; S302-C362 WeakPolarHBondContact O-CA 3.42Å; I303-C362 HydrophobicContact CG1-CB 4.22Å; M352-C362 WeakPolarHBondContact CE-O 3.48Å; I355-C362 HydrophobicContact CG2-CB 3.99Å
363E81.6Confident71.7Confident110 Ų11079.5 Ų79.551%0.51443%0.432SS..EExtended strand (participates in β ladder)trans-129.6142.9177.2-69.9178.8-175.500109.2L301 S302 H361 L365L301-E363 CarbonylContact C-O 3.49Å; L301-E363 WeakPolarHBondContact CA-O 3.47Å; S302-E363 PolarHBondContact N-O 2.9Å; S302-E363 PolarHBondContact O-N 3.05Å; S302-E363 PolarHBondContact OG-O 3.38Å; H361-E363 IonicContact CD2-OE1 3.23Å; H361-E363 IonicContact CE1-OE1 2.69Å; H361-E363 WeakPolarHBondContact NE2-CG 3.24Å; H361-E363 IonicContact NE2-OE1 3.76Å; H361-E363 PolarHBondContact NE2-OE1 2.81Å; E363-L365 PolarHBondContact O-N 3.01Å
364L76.6Confident70Confident25 Ų2576.4 Ų76.413%0.13142%0.419CS..EExtended strand (participates in β ladder)trans-56.2129.9174.1-76.8168.1000110L299 L301 A366 D553 E555 L556L299-L364 HydrophobicContact CD1-CD2 3.35Å; L301-L364 HydrophobicContact CD2-CD2 3.77Å; L301-L364 HydrophobicContact CD2-CG 4.22Å; L364-A366 VanDerWaalsContact C-N 3.26Å; L364-A366 PolarHBondContact O-N 3.11Å; L364-D553 HydrophobicContact CD1-CB 4.07Å; L364-E555 HydrophobicContact CD1-CB 4.02Å; L364-L556 HydrophobicContact CD1-CD1 4.11Å; L364-L556 HydrophobicContact CD1-CD2 3.67Å; L364-L556 HydrophobicContact CD1-CG 3.62Å; L364-L556 HydrophobicContact CD2-CD2 4.19Å; L364-L556 HydrophobicContact CG-CD2 4.12Å; L364-L556 HydrophobicContact CG-CG 4.5Å
365L71.6Confident68.4Low77 Ų7777.7 Ų77.740%0.40343%0.427SS..  trans-71.889.5172.7-159.291.7000107.7E300 V336 E363 K367E300-L365 HydrophobicContact CB-CB 4.35Å; E300-L365 PolarHBondContact O-N 2.96Å; V336-L365 HydrophobicContact CG2-CD1 3.98Å; E363-L365 PolarHBondContact O-N 3.01Å; L365-K367 PolarHBondContact O-N 3.09Å; L365-K367 VanDerWaalsContact O-N 3.07Å
366A55.1Low67.2Low60 Ų6080.2 Ų80.250%0.49644%0.437SS..  trans-49.9117.2-17300000111L364 D368L364-A366 VanDerWaalsContact C-N 3.26Å; L364-A366 PolarHBondContact O-N 3.11Å; A366-D368 PolarHBondContact O-N 3.47Å
367K53.2Low66.1Low132 Ų13277.6 Ų77.657%0.57443%0.431SS*.  trans-74.546166.4-90.9179.7179.8163.20111L365 N369 K370L365-K367 PolarHBondContact O-N 3.09Å; L365-K367 VanDerWaalsContact O-N 3.07Å; K367-N369 PolarHBondContact O-N 3.48Å; K367-K370 PolarHBondContact O-N 3.14Å; K367-K370 VanDerWaalsContact O-N 3.09Å
368D47Very low65.4Low113 Ų11373.4 Ų73.460%0.60442%0.419SS*.THydrogen-bonded Turntrans-56.9-10.1171.6-93.2-15.4000112.4A366 K370 T371A366-D368 PolarHBondContact O-N 3.47Å; D368-K370 VanDerWaalsContact C-N 3.3Å; D368-K370 PolarHBondContact O-N 3.14Å; D368-T371 PolarHBondContact O-OG1 2.07Å
369N46.8Very low64.7Low122 Ų12274.4 Ų74.465%0.65242%0.423SS*.Hα-helixtrans-69.1-14.1172.7-72.3-28.2000115.2K367 D372 A373K367-N369 PolarHBondContact O-N 3.48Å; N369-D372 PolarHBondContact O-N 3.09Å; N369-A373 WeakPolarHBondContact O-CB 3.38Å; N369-A373 PolarHBondContact O-N 3.15Å
370K47.5Very low64.4Low153 Ų15373 Ų7367%0.66540%0.399SS*.Hα-helixtrans-68-39.3179-86.1-172.5176.2-1790112.6K367 D368 D372 L374K367-K370 PolarHBondContact O-N 3.14Å; K367-K370 VanDerWaalsContact O-N 3.09Å; D368-K370 VanDerWaalsContact C-N 3.3Å; D368-K370 PolarHBondContact O-N 3.14Å; K370-D372 VanDerWaalsContact C-N 3.34Å; K370-L374 PolarHBondContact O-N 2.92Å
371T47.6Very low64.2Low77 Ų7780.9 Ų80.947%0.47243%0.428SS..Hα-helixtrans-69.6-33.7176.944.70000112.1D368 V528D368-T371 PolarHBondContact O-OG1 2.07Å; T371-V528 HydrophobicContact CG2-CG1 3.91Å
372D46.1Very low64.2Low109 Ų10981.6 Ų81.658%0.58343%0.427SS*.Hα-helixtrans-79-35.1178.7-85.63.4000112.8N369 K370 L374 S375N369-D372 PolarHBondContact O-N 3.09Å; K370-D372 VanDerWaalsContact C-N 3.34Å; D372-L374 VanDerWaalsContact C-N 3.3Å; D372-L374 PolarHBondContact O-N 3.15Å; D372-S375 WeakPolarHBondContact O-CB 3.21Å; D372-S375 PolarHBondContact O-N 3.47Å; D372-S375 VanDerWaalsContact O-N 3.07Å; D372-S375 PolarHBondContact O-OG 2.97Å
373A48.1Very low64.2Low83 Ų8382.2 Ų82.269%0.68643%0.429SS*.Hα-helixtrans-65.3-31.9176.800000112.7N369 S375N369-A373 WeakPolarHBondContact O-CB 3.38Å; N369-A373 PolarHBondContact O-N 3.15Å; A373-S375 VanDerWaalsContact C-N 3.3Å
374L52.1Low64.6Low41 Ų4182.5 Ų82.522%0.21543%0.428CS..THydrogen-bonded Turntrans-78.4-14.8173.9-73.1167000113K370 D372 Y376 L524 V528 E636K370-L374 PolarHBondContact O-N 2.92Å; D372-L374 VanDerWaalsContact C-N 3.3Å; D372-L374 PolarHBondContact O-N 3.15Å; L374-Y376 PolarHBondContact O-N 3Å; L374-L524 HydrophobicContact CD1-CD2 4.48Å; L374-L524 HydrophobicContact CD2-CD2 3.95Å; L374-V528 HydrophobicContact CD1-CG2 4.47Å; L374-E636 HydrophobicContact CD2-CG 4.29Å
375S54.4Low65.2Low40 Ų4089.4 Ų89.428%0.2845%0.453SS..  trans-81.2112-179.684.30000110.5D372 A373 A377D372-S375 WeakPolarHBondContact O-CB 3.21Å; D372-S375 PolarHBondContact O-N 3.47Å; D372-S375 VanDerWaalsContact O-N 3.07Å; D372-S375 PolarHBondContact O-OG 2.97Å; A373-S375 VanDerWaalsContact C-N 3.3Å; S375-A377 PolarHBondContact O-N 3.47Å
376Y65.1Low65.9Low54 Ų5485.8 Ų85.821%0.21243%0.434CS..THydrogen-bonded Turntrans-60.75.9165.2-71.9-84.4000113L374 S378 E379 I380 K517L374-Y376 PolarHBondContact O-N 3Å; Y376-S378 VanDerWaalsContact C-N 3.29Å; Y376-S378 PolarHBondContact O-N 2.9Å; Y376-E379 PolarHBondContact O-N 3.31Å; Y376-I380 VanDerWaalsContact O-CG1 3.26Å; Y376-I380 WeakPolarHBondContact O-CG1 3.49Å; Y376-I380 PolarHBondContact O-N 2.96Å; Y376-K517 HydrophobicContact CD1-CB 4.26Å; Y376-K517 HydrophobicContact CD2-CB 4.39Å; Y376-K517 HydrophobicContact CE1-CB 4.35Å; Y376-K517 HydrophobicContact CE2-CB 4.46Å; Y376-K517 HydrophobicContact CG-CB 4.29Å
377A69.1Low67.6Low37 Ų3784.3 Ų84.331%0.30642%0.417SS..Hα-helixtrans-58-38.1-178.600000112.5S375 I380 R381S375-A377 PolarHBondContact O-N 3.47Å; A377-I380 PolarHBondContact O-N 2.96Å; A377-R381 WeakPolarHBondContact O-CB 3.37Å; A377-R381 VanDerWaalsContact O-CG 3.28Å; A377-R381 WeakPolarHBondContact O-CG 3.34Å; A377-R381 PolarHBondContact O-N 3.38Å
378S72.9Confident69.4Low74 Ų7482.2 Ų82.252%0.51741%0.411SS..Hα-helixtrans-66.3-40.8177.768.70000112.2Y376 R382Y376-S378 VanDerWaalsContact C-N 3.29Å; Y376-S378 PolarHBondContact O-N 2.9Å; S378-R382 WeakPolarHBondContact O-CB 2.96Å; S378-R382 PolarHBondContact O-N 3.39Å
379E74.4Confident71.4Confident70 Ų7078.6 Ų78.633%0.32739%0.391SS..Hα-helixtrans-68-43.5175-65.8-162.1156.800112.1Y376 R381 R382 W383Y376-E379 PolarHBondContact O-N 3.31Å; E379-R381 VanDerWaalsContact C-N 3.33Å; E379-R381 PolarHBondContact O-N 2.97Å; E379-R382 WeakPolarHBondContact O-CB 3.12Å; E379-R382 PolarHBondContact O-N 3.42Å; E379-W383 PolarHBondContact O-N 3.41Å
380I81.8Confident73.4Confident38 Ų3872.8 Ų72.820%0.19536%0.36CS..Hα-helixtrans-59.2-45.9176.7-66.6165.5000110Y376 A377 R382 K384 I515Y376-I380 VanDerWaalsContact O-CG1 3.26Å; Y376-I380 WeakPolarHBondContact O-CG1 3.49Å; Y376-I380 PolarHBondContact O-N 2.96Å; A377-I380 PolarHBondContact O-N 2.96Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 3.43Å; I380-K384 WeakPolarHBondContact O-CB 3.49Å; I380-K384 PolarHBondContact O-N 3.04Å; I380-I515 HydrophobicContact CG2-CG1 4.18Å
381R85.7Confident75.4Confident186 Ų18668.2 Ų68.270%0.70234%0.343SS*.Hα-helixtrans-62.7-40.2177-74177.5-166.21796.7111.9A377 E379 K384 R385A377-R381 WeakPolarHBondContact O-CB 3.37Å; A377-R381 VanDerWaalsContact O-CG 3.28Å; A377-R381 WeakPolarHBondContact O-CG 3.34Å; A377-R381 PolarHBondContact O-N 3.38Å; E379-R381 VanDerWaalsContact C-N 3.33Å; E379-R381 PolarHBondContact O-N 2.97Å; R381-K384 PolarHBondContact O-N 3.36Å; R381-R385 WeakPolarHBondContact O-CB 3.36Å; R381-R385 PolarHBondContact O-N 2.98Å
382R85.4Confident77.5Confident111 Ų11169.1 Ų69.142%0.41934%0.344SS..Hα-helixtrans-60.5-51.5178.4-174.5-174.7-62.7163.22.3111.7S378 E379 I380 R385 S386 Y445S378-R382 WeakPolarHBondContact O-CB 2.96Å; S378-R382 PolarHBondContact O-N 3.39Å; E379-R382 WeakPolarHBondContact O-CB 3.12Å; E379-R382 PolarHBondContact O-N 3.42Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 3.43Å; R382-R385 PolarHBondContact O-N 2.87Å; R382-S386 PolarHBondContact O-N 2.87Å; R382-Y445 HydrophobicContact CG-CD1 4.39Å; R382-Y445 HydrophobicContact CG-CD2 4.45Å; R382-Y445 HydrophobicContact CG-CE1 3.83Å; R382-Y445 HydrophobicContact CG-CE2 3.9Å
383W85.7Confident79.6Confident14 Ų1467.1 Ų67.15%0.05333%0.33CS..Hα-helixtrans-70.7-34.4179-70.6117.4000112.6E379 R385 S386 F387 F446 R510 W511E379-W383 PolarHBondContact O-N 3.41Å; W383-R385 VanDerWaalsContact C-N 3.32Å; W383-R385 PolarHBondContact O-N 3.45Å; W383-S386 PolarHBondContact O-N 2.91Å; W383-F387 WeakPolarHBondContact O-CB 3.33Å; W383-F387 PolarHBondContact O-N 2.82Å; W383-F446 AromaticContact CH2-CE1 3.94Å; W383-F446 HydrophobicContact CH2-CE1 3.94Å; W383-F446 HydrophobicContact CH2-CE2 4.27Å; W383-F446 AromaticContact CH2-CZ 3.77Å; W383-F446 HydrophobicContact CH2-CZ 3.77Å; W383-F446 HydrophobicContact CZ3-CE1 4.12Å; W383-F446 AromaticContact CZ3-CE2 3.76Å; W383-F446 HydrophobicContact CZ3-CE2 3.76Å; W383-F446 AromaticContact CZ3-CZ 3.46Å; W383-F446 HydrophobicContact CZ3-CZ 3.46Å; W383-F446 VanDerWaalsContact CZ3-CZ 3.46Å; W383-R510 HydrophobicContact CD2-CB 3.68Å; W383-R510 HydrophobicContact CD2-CG 4.43Å; W383-R510 HydrophobicContact CE3-CB 3.76Å; W383-R510 HydrophobicContact CE3-CG 4.27Å; W383-R510 HydrophobicContact CG-CB 4.14Å; W383-R510 HydrophobicContact CH2-CB 4.3Å; W383-R510 HydrophobicContact CH2-CG 4Å; W383-R510 HydrophobicContact CZ2-CB 4.22Å; W383-R510 HydrophobicContact CZ2-CG 4.14Å; W383-R510 HydrophobicContact CZ3-CB 4.08Å; W383-R510 HydrophobicContact CZ3-CG 4.07Å; W383-W511 HydrophobicContact CB-CB 3.97Å
384K90.1Very high81.5Confident116 Ų11663.2 Ų63.250%0.50430%0.298SS..Hα-helixtrans-57.6-44.9170.6-175.6-178.9178.6-178.40111.4I380 R381 L388 W511I380-K384 WeakPolarHBondContact O-CB 3.49Å; I380-K384 PolarHBondContact O-N 3.04Å; R381-K384 PolarHBondContact O-N 3.36Å; K384-L388 VanDerWaalsContact O-CB 3.26Å; K384-L388 WeakPolarHBondContact O-CB 3.35Å; K384-L388 PolarHBondContact O-N 3.28Å; K384-W511 HydrophobicContact CG-CZ2 4.32Å
385R89.3Confident83.2Confident170 Ų17063.6 Ų63.664%0.64230%0.302SS*.Hα-helixtrans-65.8-44.3178-174.9178.2178.5179.60.8111.8R381 R382 W383 L388 I389R381-R385 WeakPolarHBondContact O-CB 3.36Å; R381-R385 PolarHBondContact O-N 2.98Å; R382-R385 PolarHBondContact O-N 2.87Å; W383-R385 VanDerWaalsContact C-N 3.32Å; W383-R385 PolarHBondContact O-N 3.45Å; R385-L388 PolarHBondContact O-N 2.92Å; R385-I389 HydrophobicContact CG-CD1 3.94Å; R385-I389 VanDerWaalsContact O-CG1 3.27Å; R385-I389 WeakPolarHBondContact O-CG1 3.47Å; R385-I389 PolarHBondContact O-N 2.95Å
386S87.2Confident84.9Confident2 Ų263.8 Ų63.81%0.01430%0.302CS..Hα-helixtrans-60.4-47.6175.9174.30000111.2R382 W383 L388 I389 S390 G442R382-S386 PolarHBondContact O-N 2.87Å; W383-S386 PolarHBondContact O-N 2.91Å; S386-L388 PolarHBondContact O-N 3.43Å; S386-I389 PolarHBondContact O-N 2.85Å; S386-S390 PolarHBondContact O-N 2.83Å; S386-S390 PolarHBondContact O-OG 2.94Å; S386-S390 VanDerWaalsContact O-OG 3.08Å; S386-G442 PolarHBondContact OG-O 3.45Å
387F89.8Confident85.9Confident29 Ų2961.2 Ų61.213%0.12729%0.292CS..Hα-helixtrans-59.9-45.7174.8172.3-110000112.1W383 I389 S390 L391 M504 A507 L508 W511W383-F387 WeakPolarHBondContact O-CB 3.33Å; W383-F387 PolarHBondContact O-N 2.82Å; F387-I389 PolarHBondContact O-N 2.82Å; F387-S390 CarbonylContact O-C 3.59Å; F387-S390 PolarHBondContact O-N 2.85Å; F387-L391 HydrophobicContact CE1-CD2 4.08Å; F387-L391 HydrophobicContact CE2-CD1 4.43Å; F387-L391 HydrophobicContact CZ-CB 4.44Å; F387-L391 HydrophobicContact CZ-CD1 4.11Å; F387-L391 HydrophobicContact CZ-CD2 4.11Å; F387-L391 HydrophobicContact CZ-CG 4.47Å; F387-L391 WeakPolarHBondContact O-CB 3.27Å; F387-L391 PolarHBondContact O-N 3.01Å; F387-M504 HydrophobicContact CD2-CG 4.47Å; F387-M504 HydrophobicContact CE2-CG 4.09Å; F387-A507 HydrophobicContact CB-CB 4.03Å; F387-L508 HydrophobicContact CD2-CB 3.79Å; F387-L508 HydrophobicContact CD2-CD1 4.43Å; F387-L508 HydrophobicContact CE1-CD1 4.47Å; F387-L508 HydrophobicContact CE2-CB 3.72Å; F387-L508 HydrophobicContact CE2-CD1 4.02Å; F387-L508 HydrophobicContact CE2-CD2 4.44Å; F387-L508 HydrophobicContact CE2-CG 4.27Å; F387-L508 HydrophobicContact CZ-CD1 4.03Å; F387-W511 AromaticContact CD1-CE3 3.95Å; F387-W511 HydrophobicContact CD1-CE3 3.95Å; F387-W511 HydrophobicContact CD1-CZ3 4.09Å; F387-W511 HydrophobicContact CE1-CE3 4.3Å; F387-W511 HydrophobicContact CE1-CZ3 4.08Å; F387-W511 HydrophobicContact CG-CE3 4.45Å
388L91Very high86.4Confident87 Ų8763 Ų6346%0.45530%0.295SS..Hα-helixtrans-62.9-42.1-179.9-174.467.9000111.7K384 R385 S386 L391 I392K384-L388 VanDerWaalsContact O-CB 3.26Å; K384-L388 WeakPolarHBondContact O-CB 3.35Å; K384-L388 PolarHBondContact O-N 3.28Å; R385-L388 PolarHBondContact O-N 2.92Å; S386-L388 PolarHBondContact O-N 3.43Å; L388-L391 PolarHBondContact O-N 2.8Å; L388-I392 HydrophobicContact CD1-CD1 4.19Å; L388-I392 HydrophobicContact CD1-CG1 4.39Å; L388-I392 HydrophobicContact CD2-CD1 4.42Å; L388-I392 HydrophobicContact CG-CD1 3.81Å; L388-I392 HydrophobicContact CG-CG1 4.4Å; L388-I392 WeakPolarHBondContact O-CB 3.36Å; L388-I392 WeakPolarHBondContact O-CD1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.38Å; L388-I392 PolarHBondContact O-N 3.27Å
389I89.6Confident87Confident37 Ų3764.1 Ų64.119%0.1929%0.294CS..Hα-helixtrans-62.3-49.8174.8-67.8166.4000109.9R385 S386 F387 L391 I392 F393 F441R385-I389 HydrophobicContact CG-CD1 3.94Å; R385-I389 VanDerWaalsContact O-CG1 3.27Å; R385-I389 WeakPolarHBondContact O-CG1 3.47Å; R385-I389 PolarHBondContact O-N 2.95Å; S386-I389 PolarHBondContact O-N 2.85Å; F387-I389 PolarHBondContact O-N 2.82Å; I389-L391 VanDerWaalsContact C-N 3.26Å; I389-L391 PolarHBondContact O-N 2.67Å; I389-I392 PolarHBondContact O-N 2.87Å; I389-F393 HydrophobicContact CG2-CD2 4.12Å; I389-F393 HydrophobicContact CG2-CE2 4.33Å; I389-F393 WeakPolarHBondContact O-CD2 3.42Å; I389-F393 PolarHBondContact O-N 2.81Å; I389-F441 HydrophobicContact CD1-CB 4.48Å; I389-F441 HydrophobicContact CG2-CB 4.25Å
390S87.6Confident87.4Confident0 Ų062 Ų620%029%0.285CS..Hα-helixtrans-62.6-32.4178.2-58.20000112.8S386 F387 G394S386-S390 PolarHBondContact O-N 2.83Å; S386-S390 PolarHBondContact O-OG 2.94Å; S386-S390 VanDerWaalsContact O-OG 3.08Å; F387-S390 CarbonylContact O-C 3.59Å; F387-S390 PolarHBondContact O-N 2.85Å; S390-G394 WeakPolarHBondContact O-CA 3.43Å; S390-G394 PolarHBondContact O-N 2.95Å
391L90.5Very high87.1Confident57 Ų5762.2 Ų62.230%0.29829%0.286SS..Hα-helixtrans-72.2-47.3177-175.774.3000111.3F387 L388 I389 F393 G394 V395 M504F387-L391 HydrophobicContact CE1-CD2 4.08Å; F387-L391 HydrophobicContact CE2-CD1 4.43Å; F387-L391 HydrophobicContact CZ-CB 4.44Å; F387-L391 HydrophobicContact CZ-CD1 4.11Å; F387-L391 HydrophobicContact CZ-CD2 4.11Å; F387-L391 HydrophobicContact CZ-CG 4.47Å; F387-L391 WeakPolarHBondContact O-CB 3.27Å; F387-L391 PolarHBondContact O-N 3.01Å; L388-L391 PolarHBondContact O-N 2.8Å; I389-L391 VanDerWaalsContact C-N 3.26Å; I389-L391 PolarHBondContact O-N 2.67Å; L391-F393 VanDerWaalsContact C-N 3.27Å; L391-F393 PolarHBondContact O-N 2.89Å; L391-G394 PolarHBondContact O-N 3.1Å; L391-V395 HydrophobicContact CD1-CG2 3.67Å; L391-V395 HydrophobicContact CG-CG2 4.19Å; L391-V395 WeakPolarHBondContact O-CB 3.35Å; L391-V395 WeakPolarHBondContact O-CG2 3.43Å; L391-V395 PolarHBondContact O-N 2.98Å; L391-M504 HydrophobicContact CD1-CG 4.46Å; L391-M504 HydrophobicContact CD1-SD 3.81Å
392I91.9Very high86.6Confident97 Ų9756.2 Ų56.250%0.49727%0.267SS..Hα-helixtrans-58.2-40.3-178.7-75.1167.6000111.3L388 I389 P396L388-I392 HydrophobicContact CD1-CD1 4.19Å; L388-I392 HydrophobicContact CD1-CG1 4.39Å; L388-I392 HydrophobicContact CD2-CD1 4.42Å; L388-I392 HydrophobicContact CG-CD1 3.81Å; L388-I392 HydrophobicContact CG-CG1 4.4Å; L388-I392 WeakPolarHBondContact O-CB 3.36Å; L388-I392 WeakPolarHBondContact O-CD1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.38Å; L388-I392 PolarHBondContact O-N 3.27Å; I389-I392 PolarHBondContact O-N 2.87Å; I392-P396 WeakPolarHBondContact O-CD 3.33Å; I392-P396 WeakPolarHBondContact O-CG 3.28Å
393F90.7Very high86.3Confident66 Ų6656.5 Ų56.529%0.28927%0.269SS..Hα-helixtrans-95.6-29.1-179.5-69.5-74.2000113.2I389 L391 P396 V397 L434 P437 V438I389-F393 HydrophobicContact CG2-CD2 4.12Å; I389-F393 HydrophobicContact CG2-CE2 4.33Å; I389-F393 WeakPolarHBondContact O-CD2 3.42Å; I389-F393 PolarHBondContact O-N 2.81Å; L391-F393 VanDerWaalsContact C-N 3.27Å; L391-F393 PolarHBondContact O-N 2.89Å; F393-P396 WeakPolarHBondContact O-CD 3.5Å; F393-V397 WeakPolarHBondContact O-CG2 3.12Å; F393-V397 PolarHBondContact O-N 3.21Å; F393-L434 HydrophobicContact CD1-CD2 3.9Å; F393-P437 HydrophobicContact CD2-CB 4.22Å; F393-P437 HydrophobicContact CE1-CB 4.37Å; F393-P437 HydrophobicContact CE1-CG 4.32Å; F393-P437 HydrophobicContact CE2-CB 4.08Å; F393-P437 HydrophobicContact CG-CB 4.46Å; F393-P437 HydrophobicContact CZ-CB 4.15Å; F393-P437 HydrophobicContact CZ-CG 4.48Å; F393-V438 HydrophobicContact CB-CG2 3.26Å; F393-V438 HydrophobicContact CD2-CG2 4.36Å; F393-V438 HydrophobicContact CG-CG2 4.12Å
394G86.5Confident85.6Confident2 Ų257.5 Ų57.52%0.02127%0.274CS..Hα-helixtrans-75.2-33.8-179.400000114.3S390 L391 V397 M398S390-G394 WeakPolarHBondContact O-CA 3.43Å; S390-G394 PolarHBondContact O-N 2.95Å; L391-G394 PolarHBondContact O-N 3.1Å; G394-V397 WeakPolarHBondContact O-CB 3.48Å; G394-V397 PolarHBondContact O-N 2.8Å; G394-M398 PolarHBondContact O-N 3.06Å
395V87.9Confident84.5Confident48 Ų4855.2 Ų55.229%0.29127%0.265SS..Hα-helixtrans-65.8-46.4175.21720000111.4L391 V397 M398 I399L391-V395 HydrophobicContact CD1-CG2 3.67Å; L391-V395 HydrophobicContact CG-CG2 4.19Å; L391-V395 WeakPolarHBondContact O-CB 3.35Å; L391-V395 WeakPolarHBondContact O-CG2 3.43Å; L391-V395 PolarHBondContact O-N 2.98Å; V395-V397 VanDerWaalsContact C-N 3.3Å; V395-V397 PolarHBondContact O-N 2.73Å; V395-M398 WeakPolarHBondContact O-CB 3.5Å; V395-M398 PolarHBondContact O-N 3.27Å; V395-M398 VanDerWaalsContact O-N 3.15Å; V395-I399 HydrophobicContact CG1-CD1 3.77Å; V395-I399 HydrophobicContact CG1-CG1 4.33Å; V395-I399 WeakPolarHBondContact O-CG1 3.31Å; V395-I399 PolarHBondContact O-N 3.32Å
396P89.9Confident83.3Confident44 Ų4455.5 Ų55.529%0.28627%0.266SS..Hα-helixtrans-55.2-41.4170.3-3036.6000113.8I392 F393 M398 I399 I400 L434I392-P396 WeakPolarHBondContact O-CD 3.33Å; I392-P396 WeakPolarHBondContact O-CG 3.28Å; F393-P396 WeakPolarHBondContact O-CD 3.5Å; P396-M398 VanDerWaalsContact C-N 3.34Å; P396-M398 PolarHBondContact O-N 2.87Å; P396-I399 PolarHBondContact O-N 2.98Å; P396-I400 WeakPolarHBondContact O-CB 3.44Å; P396-I400 VanDerWaalsContact O-CG1 3.24Å; P396-I400 WeakPolarHBondContact O-CG1 3.39Å; P396-I400 PolarHBondContact O-N 3.37Å; P396-L434 HydrophobicContact CB-CD1 3.97Å; P396-L434 HydrophobicContact CB-CD2 4.44Å
397V86.5Confident82.5Confident0 Ų060.5 Ų60.50%029%0.291CS..Hα-helixtrans-59-45.2174.9164.60000111.2F393 G394 V395 I400 M401 L431 L434 D497 P500F393-V397 WeakPolarHBondContact O-CG2 3.12Å; F393-V397 PolarHBondContact O-N 3.21Å; G394-V397 WeakPolarHBondContact O-CB 3.48Å; G394-V397 PolarHBondContact O-N 2.8Å; V395-V397 VanDerWaalsContact C-N 3.3Å; V395-V397 PolarHBondContact O-N 2.73Å; V397-I400 PolarHBondContact O-N 2.97Å; V397-M401 WeakPolarHBondContact O-CB 3.38Å; V397-M401 PolarHBondContact O-N 3.05Å; V397-L431 HydrophobicContact CB-CD2 4.34Å; V397-L431 HydrophobicContact CG1-CD2 3.81Å; V397-L431 HydrophobicContact CG2-CD2 4.35Å; V397-L434 HydrophobicContact CG2-CB 3.54Å; V397-L434 HydrophobicContact CG2-CD1 4.15Å; V397-D497 HydrophobicContact CG1-CB 4.13Å; V397-P500 HydrophobicContact CG1-CB 4.45Å; V397-P500 HydrophobicContact CG1-CG 4.4Å; V397-P500 HydrophobicContact CG2-CB 4.49Å; V397-P500 HydrophobicContact CG2-CG 4.28Å
398M79.8Confident81.2Confident76 Ų7661.4 Ų61.437%0.37430%0.297SS..Hα-helixtrans-63.4-41.1175.5-174.3179.666.100112.2G394 V395 P396 I402 M501G394-M398 PolarHBondContact O-N 3.06Å; V395-M398 WeakPolarHBondContact O-CB 3.5Å; V395-M398 PolarHBondContact O-N 3.27Å; V395-M398 VanDerWaalsContact O-N 3.15Å; P396-M398 VanDerWaalsContact C-N 3.34Å; P396-M398 PolarHBondContact O-N 2.87Å; M398-I402 HydrophobicContact CG-CD1 4.08Å; M398-I402 WeakPolarHBondContact O-CB 3.46Å; M398-I402 WeakPolarHBondContact O-CD1 3.12Å; M398-I402 VanDerWaalsContact O-CG1 3.28Å; M398-I402 WeakPolarHBondContact O-CG1 3.34Å; M398-I402 PolarHBondContact O-N 3.03Å; M398-M501 HydrophobicContact CB-CE 4.14Å; M398-M501 HydrophobicContact CG-CE 4.3Å
399I85.3Confident79.7Confident97 Ų9760.3 Ų60.350%0.49729%0.29SS..Hα-helixtrans-66.3-43177.5-67.7167.5000110.9V395 P396 I402 Y403V395-I399 HydrophobicContact CG1-CD1 3.77Å; V395-I399 HydrophobicContact CG1-CG1 4.33Å; V395-I399 WeakPolarHBondContact O-CG1 3.31Å; V395-I399 PolarHBondContact O-N 3.32Å; P396-I399 PolarHBondContact O-N 2.98Å; I399-I402 PolarHBondContact O-N 3.22Å; I399-Y403 VanDerWaalsContact O-CB 3.25Å; I399-Y403 WeakPolarHBondContact O-CB 3.49Å; I399-Y403 PolarHBondContact O-N 3.21Å
400I83.9Confident78Confident25 Ų2558.7 Ų58.713%0.12828%0.282CS..Hα-helixtrans-63.5-46.2177.4-74.6167.2000109.9P396 V397 I402 Y403 F404 L430 L431 L434P396-I400 WeakPolarHBondContact O-CB 3.44Å; P396-I400 VanDerWaalsContact O-CG1 3.24Å; P396-I400 WeakPolarHBondContact O-CG1 3.39Å; P396-I400 PolarHBondContact O-N 3.37Å; V397-I400 PolarHBondContact O-N 2.97Å; I400-I402 VanDerWaalsContact C-N 3.31Å; I400-I402 PolarHBondContact O-N 3.03Å; I400-Y403 PolarHBondContact O-N 3.22Å; I400-F404 HydrophobicContact CB-CD2 4.37Å; I400-F404 HydrophobicContact CG2-CD2 3.57Å; I400-F404 HydrophobicContact CG2-CE2 3.89Å; I400-F404 WeakPolarHBondContact O-CB 3.4Å; I400-F404 WeakPolarHBondContact O-CD2 3.36Å; I400-F404 PolarHBondContact O-N 3.24Å; I400-L430 HydrophobicContact CD1-CB 4.15Å; I400-L431 HydrophobicContact CB-CD2 4.45Å; I400-L431 HydrophobicContact CG2-CD2 3.9Å; I400-L431 HydrophobicContact CG2-CG 4.07Å; I400-L434 HydrophobicContact CD1-CD1 3.26Å
401M75.1Confident76.3Confident42 Ų4262.3 Ų62.321%0.20730%0.299CS..Hα-helixtrans-56.6-47.5175-173.4-158.175.100110.8V397 H405 M501V397-M401 WeakPolarHBondContact O-CB 3.38Å; V397-M401 PolarHBondContact O-N 3.05Å; M401-H405 WeakPolarHBondContact O-CB 3.22Å; M401-H405 PolarHBondContact O-N 3.27Å; M401-M501 HydrophobicContact CE-CE 4.39Å; M401-M501 HydrophobicContact SD-CE 3.89Å
402I74.5Confident74.3Confident61 Ų6163.7 Ų63.731%0.31331%0.307SS..Iπ-helixtrans-61.7-47.6175.8-73.6165000111.1M398 I399 I400 W406 I407M398-I402 HydrophobicContact CG-CD1 4.08Å; M398-I402 WeakPolarHBondContact O-CB 3.46Å; M398-I402 WeakPolarHBondContact O-CD1 3.12Å; M398-I402 VanDerWaalsContact O-CG1 3.28Å; M398-I402 WeakPolarHBondContact O-CG1 3.34Å; M398-I402 PolarHBondContact O-N 3.03Å; I399-I402 PolarHBondContact O-N 3.22Å; I400-I402 VanDerWaalsContact C-N 3.31Å; I400-I402 PolarHBondContact O-N 3.03Å; I402-W406 HydrophobicContact CG2-CE3 3.82Å; I402-W406 HydrophobicContact CG2-CZ3 4.44Å; I402-W406 WeakPolarHBondContact O-CA 3.45Å; I402-W406 WeakPolarHBondContact O-CB 3.02Å; I402-W406 PolarHBondContact O-N 3.5Å; I402-I407 PolarHBondContact O-N 3.49Å
403Y79.4Confident72.5Confident116 Ų11661.8 Ų61.846%0.45530%0.3SS..Iπ-helixtrans-67.5-48.3-174.9-177.4-99.2000112.5I399 I400 I407 L408I399-Y403 VanDerWaalsContact O-CB 3.25Å; I399-Y403 WeakPolarHBondContact O-CB 3.49Å; I399-Y403 PolarHBondContact O-N 3.21Å; I400-Y403 PolarHBondContact O-N 3.22Å; Y403-I407 HydrophobicContact CD2-CB 4.43Å; Y403-I407 HydrophobicContact CD2-CD1 3.92Å; Y403-I407 HydrophobicContact CE2-CG2 4.49Å; Y403-I407 WeakPolarHBondContact O-CA 3.45Å; Y403-I407 VanDerWaalsContact O-CB 3.29Å; Y403-I407 WeakPolarHBondContact O-CB 3.34Å; Y403-I407 PolarHBondContact O-N 2.95Å; Y403-L408 HydrophobicContact CD1-CD1 3.91Å; Y403-L408 HydrophobicContact CE1-CD1 3.33Å; Y403-L408 HydrophobicContact CE2-CD1 4.15Å; Y403-L408 VanDerWaalsContact CZ-CD1 3.47Å; Y403-L408 PolarHBondContact O-N 3.47Å
404F72.1Confident70.9Confident36 Ų3662 Ų6216%0.15831%0.307CS..Iπ-helixtrans-75.9-46-178.4-74.7-80.1000112.3I400 H409 T410 D427 L430I400-F404 HydrophobicContact CB-CD2 4.37Å; I400-F404 HydrophobicContact CG2-CD2 3.57Å; I400-F404 HydrophobicContact CG2-CE2 3.89Å; I400-F404 WeakPolarHBondContact O-CB 3.4Å; I400-F404 WeakPolarHBondContact O-CD2 3.36Å; I400-F404 PolarHBondContact O-N 3.24Å; F404-H409 PolarHBondContact O-N 3.48Å; F404-T410 HydrophobicContact CB-CG2 4.46Å; F404-T410 HydrophobicContact CD1-CG2 4.14Å; F404-T410 PolarHBondContact O-N 3.26Å; F404-T410 PolarHBondContact O-OG1 3.09Å; F404-D427 HydrophobicContact CB-CB 4.11Å; F404-D427 HydrophobicContact CD1-CB 3.88Å; F404-D427 HydrophobicContact CD2-CB 3.87Å; F404-D427 HydrophobicContact CE1-CB 4.23Å; F404-D427 HydrophobicContact CE2-CB 4.21Å; F404-D427 HydrophobicContact CG-CB 3.68Å; F404-D427 HydrophobicContact CZ-CB 4.37Å; F404-L430 HydrophobicContact CE2-CD1 4.32Å; F404-L430 HydrophobicContact CZ-CD1 4.49Å
405H65.4Low69.5Low68 Ų6870.1 Ų70.132%0.31535%0.345SS..Iπ-helixtrans-78.8-41.7-176.5-59.7173.3000112.9M401M401-H405 WeakPolarHBondContact O-CB 3.22Å; M401-H405 PolarHBondContact O-N 3.27Å
406W64.7Low68.2Low175 Ų17571.3 Ų71.366%0.66335%0.35SS*.Iπ-helixtrans-92.8-40.7-174.5-174.619.3000112.8I402 H409I402-W406 HydrophobicContact CG2-CE3 3.82Å; I402-W406 HydrophobicContact CG2-CZ3 4.44Å; I402-W406 WeakPolarHBondContact O-CA 3.45Å; I402-W406 WeakPolarHBondContact O-CB 3.02Å; I402-W406 PolarHBondContact O-N 3.5Å; W406-H409 PolarHBondContact O-CD2 3.3Å; W406-H409 PolarHBondContact O-NE2 2.88Å
407I69.5Low66.9Low107 Ų10770.1 Ų70.155%0.54934%0.34SS..Iπ-helixtrans-87.2-49.1-177.1-62.5169.3000111.6I402 Y403I402-I407 PolarHBondContact O-N 3.49Å; Y403-I407 HydrophobicContact CD2-CB 4.43Å; Y403-I407 HydrophobicContact CD2-CD1 3.92Å; Y403-I407 HydrophobicContact CE2-CG2 4.49Å; Y403-I407 WeakPolarHBondContact O-CA 3.45Å; Y403-I407 VanDerWaalsContact O-CB 3.29Å; Y403-I407 WeakPolarHBondContact O-CB 3.34Å; Y403-I407 PolarHBondContact O-N 2.95Å
408L64.3Low65.9Low48 Ų4879.6 Ų79.625%0.25138%0.376SS..SBendtrans-82.7-9.3-177.7-98.288.4000114.7Y403 T410 N416Y403-L408 HydrophobicContact CD1-CD1 3.91Å; Y403-L408 HydrophobicContact CE1-CD1 3.33Å; Y403-L408 HydrophobicContact CE2-CD1 4.15Å; Y403-L408 VanDerWaalsContact CZ-CD1 3.47Å; Y403-L408 PolarHBondContact O-N 3.47Å; L408-T410 HydrophobicContact CB-CG2 3.86Å; L408-T410 HydrophobicContact CD2-CG2 4.38Å; L408-T410 PolarHBondContact O-N 2.92Å; L408-T410 VanDerWaalsContact O-N 3.14Å; L408-N416 PolarHBondContact O-ND2 3.36Å
409H57.9Low65.4Low65 Ų6579.5 Ų79.530%0.30138%0.375SS..  trans46.342.6-175.3-82.8-84.8000112.5F404 W406 M411 D412 V413F404-H409 PolarHBondContact O-N 3.48Å; W406-H409 PolarHBondContact O-CD2 3.3Å; W406-H409 PolarHBondContact O-NE2 2.88Å; H409-M411 PolarHBondContact O-N 3.37Å; H409-D412 IonicContact CE1-OD2 3Å; H409-D412 IonicContact CG-OD2 3.93Å; H409-D412 IonicContact ND1-OD2 3.89Å; H409-D412 PolarHBondContact ND1-OD2 3.32Å; H409-D412 PolarHBondContact O-N 3.1Å; H409-V413 PolarHBondContact O-N 2.83Å
410T55.2Low64.9Low3 Ų379 Ų792%0.01838%0.376CS..THydrogen-bonded Turntrans-61.6-11.2-177.852.70000113.9F404 L408 Q417F404-T410 HydrophobicContact CB-CG2 4.46Å; F404-T410 HydrophobicContact CD1-CG2 4.14Å; F404-T410 PolarHBondContact O-N 3.26Å; F404-T410 PolarHBondContact O-OG1 3.09Å; L408-T410 HydrophobicContact CB-CG2 3.86Å; L408-T410 HydrophobicContact CD2-CG2 4.38Å; L408-T410 PolarHBondContact O-N 2.92Å; L408-T410 VanDerWaalsContact O-N 3.14Å; T410-Q417 PolarHBondContact O-NE2 3.07Å
411M51.3Low64.4Low76 Ų7682.6 Ų82.637%0.37439%0.394SS..THydrogen-bonded Turntrans-77.9-35.6173.8-60.9-80.394.600112.9H409 M493H409-M411 PolarHBondContact O-N 3.37Å; M411-M493 HydrophobicContact CE-CE 3.84Å; M411-M493 HydrophobicContact CE-SD 3.55Å; M411-M493 VanDerWaalsContact CE-SD 3.55Å; M411-M493 HydrophobicContact SD-CE 3.03Å; M411-M493 WeakPolarHBondContact SD-CE 3.48Å; M411-M493 HydrophobicContact SD-SD 3.43Å
412D49.1Very low64Low86 Ų8684 Ų8446%0.4641%0.407SS..THydrogen-bonded Turntrans-95.6-23.9-173.7-62.1-43.6000112.1H409H409-D412 IonicContact CE1-OD2 3Å; H409-D412 IonicContact CG-OD2 3.93Å; H409-D412 IonicContact ND1-OD2 3.89Å; H409-D412 PolarHBondContact ND1-OD2 3.32Å; H409-D412 PolarHBondContact O-N 3.1Å
413V54.4Low63.6Low57 Ų5781.2 Ų81.235%0.34539%0.393SS..  trans-125.491-178.4-168.10000109.7H409 E415 N416H409-V413 PolarHBondContact O-N 2.83Å; V413-E415 HydrophobicContact CG1-CB 4.01Å; V413-E415 HydrophobicContact CG1-CG 4.49Å; V413-E415 PolarHBondContact O-N 3.04Å; V413-E415 VanDerWaalsContact O-N 3.09Å; V413-N416 PolarHBondContact O-N 2.73Å
414P57.3Low63.5Low69 Ų6976 Ų7645%0.44837%0.374SS..G310 helixtrans-60-20.9178.821.3-30.5000112.7N416 Q417P414-N416 PolarHBondContact O-N 2.82Å; P414-Q417 WeakPolarHBondContact O-CB 3.17Å; P414-Q417 PolarHBondContact O-N 3.41Å; P414-Q417 VanDerWaalsContact O-N 3.09Å
415E56.8Low63.9Low173 Ų17374.3 Ų74.381%0.80837%0.366SS*.G310 helixtrans-63-22.7175-57.1-175.1170.200113.6V413 Q417V413-E415 HydrophobicContact CG1-CB 4.01Å; V413-E415 HydrophobicContact CG1-CG 4.49Å; V413-E415 PolarHBondContact O-N 3.04Å; V413-E415 VanDerWaalsContact O-N 3.09Å; E415-Q417 VanDerWaalsContact C-N 3.32Å
416N59.3Low64.8Low74 Ų7473.1 Ų73.140%0.39636%0.363SS..G310 helixtrans-85.4-1.9176.7-76.2-11.9000113.3L408 V413 P414 W418L408-N416 PolarHBondContact O-ND2 3.36Å; V413-N416 PolarHBondContact O-N 2.73Å; P414-N416 PolarHBondContact O-N 2.82Å; N416-W418 PolarHBondContact O-N 2.87Å
417Q62.4Low65.5Low18 Ų1865.2 Ų65.28%0.08433%0.334CS..  trans-82.4102.2175.9-63.4-169-1.100110T410 P414 E415 H419T410-Q417 PolarHBondContact O-NE2 3.07Å; P414-Q417 WeakPolarHBondContact O-CB 3.17Å; P414-Q417 PolarHBondContact O-N 3.41Å; P414-Q417 VanDerWaalsContact O-N 3.09Å; E415-Q417 VanDerWaalsContact C-N 3.32Å; Q417-H419 PolarHBondContact O-CD2 2.83Å; Q417-H419 PolarHBondContact O-N 2.75Å
418W66.8Low66.2Low200 Ų20060.6 Ų60.676%0.75831%0.311SS*.  trans-73.9111.2169.9-66.7-16000109.7N416 S425 V426N416-W418 PolarHBondContact O-N 2.87Å; W418-S425 CarbonylContact O-C 3.38Å; W418-S425 WeakPolarHBondContact O-CA 3.44Å; W418-V426 HydrophobicContact CB-CG2 4Å; W418-V426 WeakPolarHBondContact O-CG2 3.42Å; W418-V426 PolarHBondContact O-N 2.82Å
419H69.2Low67.2Low73 Ų7361 Ų6134%0.33831%0.313SS..EExtended strand (participates in β ladder)trans-89.7124.2176.6-60.5-66.7000110.5Q417 V424 T489 S491Q417-H419 PolarHBondContact O-CD2 2.83Å; Q417-H419 PolarHBondContact O-N 2.75Å; H419-V424 WeakPolarHBondContact CA-O 3.19Å; H419-T489 PolarHBondContact NE2-O 2.91Å; H419-S491 PolarHBondContact CE1-OG 3.5Å; H419-S491 PolarHBondContact ND1-OG 3.2Å
420V74.3Confident68.7Low88 Ų8861.2 Ų61.253%0.53332%0.315SS..EExtended strand (participates in β ladder)trans-78.3-40.9174.7-177.20000110.1V424 V426 L429V420-V424 PolarHBondContact N-O 2.78Å; V420-V426 HydrophobicContact CG2-CG2 3.55Å; V420-L429 HydrophobicContact CB-CD2 4.49Å; V420-L429 HydrophobicContact CG2-CD2 4.04Å
421I72.9Confident70.2Confident99 Ų9961.4 Ų61.451%0.50832%0.316SS..EExtended strand (participates in β ladder)trans-130143.3174.6-59.1173.4000105.2G423 V424I421-G423 PolarHBondContact O-N 2.81Å; I421-V424 PolarHBondContact O-N 2.95Å
422P66.3Low72.1Confident72 Ų7260.8 Ų60.847%0.46831%0.312SS..THydrogen-bonded Turntrans-47.7116.6172.7-2633.5000110.5Q487P422-Q487 HydrophobicContact CB-CB 4.14Å; P422-Q487 HydrophobicContact CB-CG 4.2Å
423G67.2Low74.1Confident2 Ų261.1 Ų61.12%0.02131%0.313CS..THydrogen-bonded Turntrans97.7-9.4-176.200000117.4I421 W488 S491I421-G423 PolarHBondContact O-N 2.81Å; G423-W488 WeakPolarHBondContact CA-O 3.5Å; G423-W488 PolarHBondContact N-O 3.19Å; G423-S491 PolarHBondContact O-OG 3.14Å
424V77.6Confident75.9Confident8 Ų859.9 Ų59.95%0.04830%0.304CS..EExtended strand (participates in β ladder)trans-125.3106.4-179.8-174.40000111.2H419 V420 I421 L429 L480 A484H419-V424 WeakPolarHBondContact CA-O 3.19Å; V420-V424 PolarHBondContact N-O 2.78Å; I421-V424 PolarHBondContact O-N 2.95Å; V424-L429 HydrophobicContact CG1-CB 4.19Å; V424-L480 HydrophobicContact CG1-CD1 4.21Å; V424-L480 HydrophobicContact CG1-CD2 4.47Å; V424-L480 HydrophobicContact CG1-CG 4.36Å; V424-L480 HydrophobicContact CG2-CD2 4.14Å; V424-L480 HydrophobicContact CG2-CG 4.2Å; V424-A484 HydrophobicContact CG2-CB 3.88Å
425S80Confident77.6Confident0 Ų056.6 Ų56.60%028%0.283CS..EExtended strand (participates in β ladder)trans-75.8152.7174.656.50000112.9W418 D427 N428 L429 S491W418-S425 CarbonylContact O-C 3.38Å; W418-S425 WeakPolarHBondContact O-CA 3.44Å; S425-D427 VanDerWaalsContact C-N 3.29Å; S425-D427 WeakPolarHBondContact CB-OD1 3.22Å; S425-D427 PolarHBondContact O-N 2.98Å; S425-D427 PolarHBondContact OG-OD1 3.44Å; S425-N428 PolarHBondContact O-N 2.95Å; S425-N428 PolarHBondContact OG-ND2 3.31Å; S425-N428 VanDerWaalsContact OG-ND2 3.11Å; S425-L429 PolarHBondContact O-N 2.98Å; S425-S491 WeakPolarHBondContact CB-OG 3.27Å; S425-S491 PolarHBondContact N-OG 2.78Å; S425-S491 WeakPolarHBondContact OG-CB 3.28Å; S425-S491 PolarHBondContact OG-OG 2.7Å
426V84Confident79.3Confident42 Ų4249.8 Ų49.826%0.25525%0.253SS..Hα-helixtrans-58.3-39.3-179.7169.80000112.1W418 V420 L429 L430W418-V426 HydrophobicContact CB-CG2 4Å; W418-V426 WeakPolarHBondContact O-CG2 3.42Å; W418-V426 PolarHBondContact O-N 2.82Å; V420-V426 HydrophobicContact CG2-CG2 3.55Å; V426-L429 PolarHBondContact O-N 2.92Å; V426-L430 HydrophobicContact CG1-CD1 3.83Å; V426-L430 HydrophobicContact CG1-CG 4.25Å; V426-L430 WeakPolarHBondContact O-CB 3.23Å; V426-L430 VanDerWaalsContact O-CG 3.25Å; V426-L430 WeakPolarHBondContact O-CG 3.47Å; V426-L430 PolarHBondContact O-N 3.38Å
427D80.1Confident80.8Confident9 Ų947.5 Ų47.55%0.04824%0.242CC..Hα-helixtrans-62-49.9177.560.6-28.9000111.9F404 S425 L429 L430 L431F404-D427 HydrophobicContact CB-CB 4.11Å; F404-D427 HydrophobicContact CD1-CB 3.88Å; F404-D427 HydrophobicContact CD2-CB 3.87Å; F404-D427 HydrophobicContact CE1-CB 4.23Å; F404-D427 HydrophobicContact CE2-CB 4.21Å; F404-D427 HydrophobicContact CG-CB 3.68Å; F404-D427 HydrophobicContact CZ-CB 4.37Å; S425-D427 VanDerWaalsContact C-N 3.29Å; S425-D427 WeakPolarHBondContact CB-OD1 3.22Å; S425-D427 PolarHBondContact O-N 2.98Å; S425-D427 PolarHBondContact OG-OD1 3.44Å; D427-L429 VanDerWaalsContact C-N 3.33Å; D427-L429 PolarHBondContact O-N 3.18Å; D427-L430 PolarHBondContact O-N 3.33Å; D427-L431 WeakPolarHBondContact O-CB 3.36Å; D427-L431 VanDerWaalsContact O-CG 3.25Å; D427-L431 WeakPolarHBondContact O-CG 3.37Å; D427-L431 PolarHBondContact O-N 3.24Å
428N82.9Confident82.2Confident11 Ų1146.7 Ų46.76%0.05924%0.238CC..Hα-helixtrans-62.5-38.4176.8-83.9-41.2000112.4S425 F432 L480 P492 T494S425-N428 PolarHBondContact O-N 2.95Å; S425-N428 PolarHBondContact OG-ND2 3.31Å; S425-N428 VanDerWaalsContact OG-ND2 3.11Å; N428-F432 WeakPolarHBondContact O-CB 3.39Å; N428-F432 PolarHBondContact O-N 2.91Å; N428-L480 HydrophobicContact CB-CD1 4.36Å; N428-P492 PolarHBondContact ND2-O 3.02Å; N428-T494 WeakPolarHBondContact OD1-CG2 3.38Å; N428-T494 PolarHBondContact OD1-OG1 2.62Å
429L86.2Confident83.4Confident57 Ų5737.4 Ų37.430%0.29820%0.203SC..Hα-helixtrans-65.6-43.8175.8-177.764.2000111.8V420 V424 S425 V426 D427 F432 I433V420-L429 HydrophobicContact CB-CD2 4.49Å; V420-L429 HydrophobicContact CG2-CD2 4.04Å; V424-L429 HydrophobicContact CG1-CB 4.19Å; S425-L429 PolarHBondContact O-N 2.98Å; V426-L429 PolarHBondContact O-N 2.92Å; D427-L429 VanDerWaalsContact C-N 3.33Å; D427-L429 PolarHBondContact O-N 3.18Å; L429-F432 PolarHBondContact O-N 3.18Å; L429-I433 HydrophobicContact CD1-CD1 4.18Å; L429-I433 HydrophobicContact CG-CD1 3.98Å; L429-I433 VanDerWaalsContact O-CG1 3.27Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.45Å
430L88.5Confident84.4Confident68 Ų6838.6 Ų38.636%0.35621%0.211SC..Hα-helixtrans-64.5-43.4176.5-73.9172.5000111.5I400 F404 V426 D427 F432 I433 L434I400-L430 HydrophobicContact CD1-CB 4.15Å; F404-L430 HydrophobicContact CE2-CD1 4.32Å; F404-L430 HydrophobicContact CZ-CD1 4.49Å; V426-L430 HydrophobicContact CG1-CD1 3.83Å; V426-L430 HydrophobicContact CG1-CG 4.25Å; V426-L430 WeakPolarHBondContact O-CB 3.23Å; V426-L430 VanDerWaalsContact O-CG 3.25Å; V426-L430 WeakPolarHBondContact O-CG 3.47Å; V426-L430 PolarHBondContact O-N 3.38Å; D427-L430 PolarHBondContact O-N 3.33Å; L430-F432 VanDerWaalsContact C-N 3.35Å; L430-F432 PolarHBondContact O-N 3.06Å; L430-I433 PolarHBondContact O-N 3.37Å; L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 VanDerWaalsContact O-CG 3.31Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 2.73Å
431L88.3Confident85.2Confident7 Ų740.3 Ų40.34%0.03721%0.211CC..Hα-helixtrans-60.6-43.9175.7-71.6173.5000111.3V397 I400 D427 L434 C435 F496V397-L431 HydrophobicContact CB-CD2 4.34Å; V397-L431 HydrophobicContact CG1-CD2 3.81Å; V397-L431 HydrophobicContact CG2-CD2 4.35Å; I400-L431 HydrophobicContact CB-CD2 4.45Å; I400-L431 HydrophobicContact CG2-CD2 3.9Å; I400-L431 HydrophobicContact CG2-CG 4.07Å; D427-L431 WeakPolarHBondContact O-CB 3.36Å; D427-L431 VanDerWaalsContact O-CG 3.25Å; D427-L431 WeakPolarHBondContact O-CG 3.37Å; D427-L431 PolarHBondContact O-N 3.24Å; L431-L434 PolarHBondContact O-N 3.09Å; L431-C435 WeakPolarHBondContact O-CB 3.37Å; L431-C435 PolarHBondContact O-N 3.26Å; L431-F496 HydrophobicContact CB-CB 3.75Å; L431-F496 HydrophobicContact CB-CD2 4.4Å; L431-F496 HydrophobicContact CB-CG 4.46Å
432F90.2Very high85.9Confident63 Ų6335.6 Ų35.628%0.27619%0.187SC..Hα-helixtrans-58.5-52.2173.9172.7-111.4000111.7N428 L429 L430 L434 C435 T436 Y473 V477 F496N428-F432 WeakPolarHBondContact O-CB 3.39Å; N428-F432 PolarHBondContact O-N 2.91Å; L429-F432 PolarHBondContact O-N 3.18Å; L430-F432 VanDerWaalsContact C-N 3.35Å; L430-F432 PolarHBondContact O-N 3.06Å; F432-L434 VanDerWaalsContact C-N 3.3Å; F432-L434 PolarHBondContact O-N 3.17Å; F432-C435 PolarHBondContact O-N 2.95Å; F432-T436 PolarHBondContact O-N 2.9Å; F432-T436 PolarHBondContact O-OG1 3.47Å; F432-Y473 WeakPolarHBondContact CE2-OH 3.08Å; F432-V477 HydrophobicContact CD2-CG2 4.2Å; F432-V477 HydrophobicContact CE2-CG2 3.82Å; F432-F496 HydrophobicContact CB-CD2 4.18Å; F432-F496 HydrophobicContact CB-CE1 4.4Å; F432-F496 HydrophobicContact CB-CE2 3.88Å; F432-F496 HydrophobicContact CB-CZ 4.01Å; F432-F496 HydrophobicContact CD2-CD1 4.49Å; F432-F496 AromaticContact CD2-CE1 3.67Å; F432-F496 HydrophobicContact CD2-CE1 3.67Å; F432-F496 HydrophobicContact CD2-CE2 4.32Å; F432-F496 AromaticContact CD2-CZ 3.57Å; F432-F496 HydrophobicContact CD2-CZ 3.57Å; F432-F496 HydrophobicContact CG-CZ 4.2Å
433I92Very high86.9Confident94 Ų9432.2 Ų32.248%0.48217%0.166SC..Hα-helixtrans-60.1-38.8-178.3-70.4167.8000112L429 L430 P437L429-I433 HydrophobicContact CD1-CD1 4.18Å; L429-I433 HydrophobicContact CG-CD1 3.98Å; L429-I433 VanDerWaalsContact O-CG1 3.27Å; L429-I433 WeakPolarHBondContact O-CG1 3.43Å; L429-I433 PolarHBondContact O-N 3.45Å; L430-I433 PolarHBondContact O-N 3.37Å; I433-P437 WeakPolarHBondContact O-CD 3.36Å; I433-P437 WeakPolarHBondContact O-CG 3.44Å
434L92Very high87.9Confident31 Ų3139.7 Ų39.716%0.16219%0.193CC..Hα-helixtrans-80.3-30.5179.7-67.8167.9000112.7F393 P396 V397 I400 L430 L431 F432F393-L434 HydrophobicContact CD1-CD2 3.9Å; P396-L434 HydrophobicContact CB-CD1 3.97Å; P396-L434 HydrophobicContact CB-CD2 4.44Å; V397-L434 HydrophobicContact CG2-CB 3.54Å; V397-L434 HydrophobicContact CG2-CD1 4.15Å; I400-L434 HydrophobicContact CD1-CD1 3.26Å; L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 VanDerWaalsContact O-CG 3.31Å; L430-L434 WeakPolarHBondContact O-CG 3.43Å; L430-L434 PolarHBondContact O-N 2.73Å; L431-L434 PolarHBondContact O-N 3.09Å; F432-L434 VanDerWaalsContact C-N 3.3Å; F432-L434 PolarHBondContact O-N 3.17Å
435C91.8Very high88.3Confident0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-73.1-42.5179.8-177.30000112.4L431 F432 V438 Q439 F496 P500L431-C435 WeakPolarHBondContact O-CB 3.37Å; L431-C435 PolarHBondContact O-N 3.26Å; F432-C435 PolarHBondContact O-N 2.95Å; C435-V438 PolarHBondContact O-N 2.85Å; C435-Q439 PolarHBondContact O-N 3.22Å; C435-F496 HydrophobicContact CB-CB 4.22Å; C435-F496 HydrophobicContact CB-CD1 4.23Å; C435-F496 WeakPolarHBondContact CB-O 3.25Å; C435-F496 PolarHBondContact SG-O 2.79Å; C435-P500 HydrophobicContact CB-CG 3.93Å; C435-P500 VanDerWaalsContact SG-CD 3.58Å
436T92.7Very high88.7Confident29 Ų2942.8 Ų42.818%0.17820%0.204CC..Hα-helixtrans-56.3-45.6-175.6-55.60000113.9F432 V438 Q439 I440 Y473F432-T436 PolarHBondContact O-N 2.9Å; F432-T436 PolarHBondContact O-OG1 3.47Å; T436-V438 VanDerWaalsContact C-N 3.32Å; T436-V438 PolarHBondContact O-N 3.33Å; T436-Q439 PolarHBondContact O-N 3.01Å; T436-I440 HydrophobicContact CG2-CD1 3.67Å; T436-I440 HydrophobicContact CG2-CG1 4.37Å; T436-I440 WeakPolarHBondContact O-CG1 3.29Å; T436-I440 PolarHBondContact O-N 3.47Å; T436-Y473 WeakPolarHBondContact CG2-OH 3.39Å; T436-Y473 PolarHBondContact OG1-OH 3.21Å
437P91.2Very high88.9Confident27 Ų2744.3 Ų44.318%0.17521%0.206CC..Hα-helixtrans-61.1-37.7175.1-24.734.3000113.3F393 I433 F441F393-P437 HydrophobicContact CD2-CB 4.22Å; F393-P437 HydrophobicContact CE1-CB 4.37Å; F393-P437 HydrophobicContact CE1-CG 4.32Å; F393-P437 HydrophobicContact CE2-CB 4.08Å; F393-P437 HydrophobicContact CG-CB 4.46Å; F393-P437 HydrophobicContact CZ-CB 4.15Å; F393-P437 HydrophobicContact CZ-CG 4.48Å; I433-P437 WeakPolarHBondContact O-CD 3.36Å; I433-P437 WeakPolarHBondContact O-CG 3.44Å; P437-F441 HydrophobicContact CB-CD2 4.19Å; P437-F441 WeakPolarHBondContact O-CB 3.46Å; P437-F441 WeakPolarHBondContact O-CD2 3.17Å; P437-F441 PolarHBondContact O-N 2.82Å
438V91.6Very high89.3Confident0 Ų047.2 Ų47.20%022%0.224CC..Iπ-helixtrans-67.7-42.6177.9-174.80000110.5F393 C435 T436 G442 G443 P500 L503F393-V438 HydrophobicContact CB-CG2 3.26Å; F393-V438 HydrophobicContact CD2-CG2 4.36Å; F393-V438 HydrophobicContact CG-CG2 4.12Å; C435-V438 PolarHBondContact O-N 2.85Å; T436-V438 VanDerWaalsContact C-N 3.32Å; T436-V438 PolarHBondContact O-N 3.33Å; V438-G442 CarbonylContact O-C 3.55Å; V438-G442 WeakPolarHBondContact O-CA 3.26Å; V438-G442 PolarHBondContact O-N 2.88Å; V438-G443 PolarHBondContact O-N 2.63Å; V438-P500 HydrophobicContact CB-CB 4.42Å; V438-P500 HydrophobicContact CB-CG 4.41Å; V438-P500 HydrophobicContact CG1-CB 4.29Å; V438-P500 HydrophobicContact CG2-CB 4.33Å; V438-L503 HydrophobicContact CG1-CB 4.1Å; V438-L503 HydrophobicContact CG1-CD1 3.96Å
439Q91.8Very high89.2Confident6 Ų649.9 Ų49.93%0.02824%0.235CC..Iπ-helixtrans-62.4-45.2177.9-165.665.97.200112C435 T436 G443 Y447 T469 Y473 P499C435-Q439 PolarHBondContact O-N 3.22Å; T436-Q439 PolarHBondContact O-N 3.01Å; Q439-G443 WeakPolarHBondContact O-CA 3.33Å; Q439-G443 PolarHBondContact O-N 2.9Å; Q439-Y447 HydrophobicContact CG-CE2 4.48Å; Q439-Y447 PolarHBondContact NE2-OH 3Å; Q439-T469 PolarHBondContact NE2-OG1 2.56Å; Q439-Y473 HydrophobicContact CG-CD2 4.4Å; Q439-Y473 HydrophobicContact CG-CG 4.3Å; Q439-P499 VanDerWaalsContact OE1-CB 3.28Å
440I91.8Very high89.1Confident98 Ų9847.5 Ų47.550%0.50322%0.223SC..Iπ-helixtrans-78.3-54-176.5-63.4174000111.5T436 R444T436-I440 HydrophobicContact CG2-CD1 3.67Å; T436-I440 HydrophobicContact CG2-CG1 4.37Å; T436-I440 WeakPolarHBondContact O-CG1 3.29Å; T436-I440 PolarHBondContact O-N 3.47Å; I440-R444 VanDerWaalsContact O-CB 3.31Å; I440-R444 WeakPolarHBondContact O-CB 3.03Å; I440-R444 PolarHBondContact O-N 2.82Å
441F91.1Very high88.9Confident123 Ų12351.9 Ų51.954%0.53924%0.236SC..Iπ-helixtrans-87.7-44.6-173.2-61.1-68.9000112.6I389 P437I389-F441 HydrophobicContact CD1-CB 4.48Å; I389-F441 HydrophobicContact CG2-CB 4.25Å; P437-F441 HydrophobicContact CB-CD2 4.19Å; P437-F441 WeakPolarHBondContact O-CB 3.46Å; P437-F441 WeakPolarHBondContact O-CD2 3.17Å; P437-F441 PolarHBondContact O-N 2.82Å
442G86.1Confident88.4Confident0 Ų054.7 Ų54.70%025%0.248CC..Iπ-helixtrans-66.7-43.817600000111.6S386 V438S386-G442 PolarHBondContact OG-O 3.45Å; V438-G442 CarbonylContact O-C 3.55Å; V438-G442 WeakPolarHBondContact O-CA 3.26Å; V438-G442 PolarHBondContact O-N 2.88Å
443G87.4Confident87.7Confident1 Ų151.7 Ų51.71%0.0124%0.235CC..THydrogen-bonded Turntrans-77.4-17.1-179.800000115.9V438 Q439 Y445 F446 Y447V438-G443 PolarHBondContact O-N 2.63Å; Q439-G443 WeakPolarHBondContact O-CA 3.33Å; Q439-G443 PolarHBondContact O-N 2.9Å; G443-Y445 PolarHBondContact O-N 3.33Å; G443-F446 WeakPolarHBondContact O-CB 3.45Å; G443-F446 PolarHBondContact O-N 3.37Å; G443-Y447 WeakPolarHBondContact O-CD2 3.48Å; G443-Y447 PolarHBondContact O-N 3.12Å; G443-Y447 VanDerWaalsContact O-N 3.08Å
444R89.8Confident87.2Confident159 Ų15951.2 Ų51.260%0.624%0.236SC*.Hα-helixtrans-44.5-46-173.1-175.7176.5170128.6-2113.7I440 Y447 V448I440-R444 VanDerWaalsContact O-CB 3.31Å; I440-R444 WeakPolarHBondContact O-CB 3.03Å; I440-R444 PolarHBondContact O-N 2.82Å; R444-Y447 PolarHBondContact O-N 3.23Å; R444-V448 WeakPolarHBondContact O-CG2 3.44Å; R444-V448 PolarHBondContact O-N 2.86Å; R444-V448 VanDerWaalsContact O-N 3.15Å
445Y85.6Confident86.6Confident71 Ų7158.7 Ų58.728%0.27826%0.262SS..Hα-helixtrans-69.7-35.7-176.1-62.2-67000112.8R382 G443 K449R382-Y445 HydrophobicContact CG-CD1 4.39Å; R382-Y445 HydrophobicContact CG-CD2 4.45Å; R382-Y445 HydrophobicContact CG-CE1 3.83Å; R382-Y445 HydrophobicContact CG-CE2 3.9Å; G443-Y445 PolarHBondContact O-N 3.33Å; Y445-K449 WeakPolarHBondContact O-CG 3.32Å; Y445-K449 PolarHBondContact O-N 2.87Å
446F87.6Confident85.6Confident2 Ų260.8 Ų60.81%0.00927%0.272CS..Hα-helixtrans-68.3-45.3175.6-62-80.9000110.2W383 G443 V448 K449 S450 D462 I465 V466 L503 I506 R510W383-F446 AromaticContact CH2-CE1 3.94Å; W383-F446 HydrophobicContact CH2-CE1 3.94Å; W383-F446 HydrophobicContact CH2-CE2 4.27Å; W383-F446 AromaticContact CH2-CZ 3.77Å; W383-F446 HydrophobicContact CH2-CZ 3.77Å; W383-F446 HydrophobicContact CZ3-CE1 4.12Å; W383-F446 AromaticContact CZ3-CE2 3.76Å; W383-F446 HydrophobicContact CZ3-CE2 3.76Å; W383-F446 AromaticContact CZ3-CZ 3.46Å; W383-F446 HydrophobicContact CZ3-CZ 3.46Å; W383-F446 VanDerWaalsContact CZ3-CZ 3.46Å; G443-F446 WeakPolarHBondContact O-CB 3.45Å; G443-F446 PolarHBondContact O-N 3.37Å; F446-V448 PolarHBondContact O-N 3.01Å; F446-K449 PolarHBondContact O-N 3.39Å; F446-S450 WeakPolarHBondContact O-CB 3.33Å; F446-S450 PolarHBondContact O-N 2.88Å; F446-S450 PolarHBondContact O-OG 3Å; F446-D462 HydrophobicContact CD1-CB 4.35Å; F446-I465 HydrophobicContact CD1-CD1 4.33Å; F446-I465 HydrophobicContact CE1-CD1 4.23Å; F446-V466 HydrophobicContact CB-CG2 3.8Å; F446-L503 HydrophobicContact CD2-CD2 3.91Å; F446-L503 HydrophobicContact CE2-CD2 4.05Å; F446-I506 HydrophobicContact CE1-CG2 3.79Å; F446-I506 HydrophobicContact CZ-CG2 3.69Å; F446-R510 HydrophobicContact CZ-CG 4.47Å
447Y89.4Confident84.7Confident75 Ų7565.5 Ų65.529%0.29431%0.305SS..Hα-helixtrans-55.5-48.8176.4-81.3-71.9000113.3Q439 G443 R444 K449 S450 Y451 V466 T470Q439-Y447 HydrophobicContact CG-CE2 4.48Å; Q439-Y447 PolarHBondContact NE2-OH 3Å; G443-Y447 WeakPolarHBondContact O-CD2 3.48Å; G443-Y447 PolarHBondContact O-N 3.12Å; G443-Y447 VanDerWaalsContact O-N 3.08Å; R444-Y447 PolarHBondContact O-N 3.23Å; Y447-K449 VanDerWaalsContact C-N 3.33Å; Y447-K449 PolarHBondContact O-N 3.42Å; Y447-S450 PolarHBondContact O-N 3.17Å; Y447-Y451 VanDerWaalsContact O-CB 3.25Å; Y447-Y451 WeakPolarHBondContact O-CB 3.48Å; Y447-Y451 PolarHBondContact O-N 2.81Å; Y447-V466 HydrophobicContact CD1-CG1 3.59Å; Y447-V466 HydrophobicContact CD1-CG2 4.2Å; Y447-V466 HydrophobicContact CE1-CG1 3.42Å; Y447-V466 VanDerWaalsContact CE1-CG1 3.42Å; Y447-V466 HydrophobicContact CG-CG2 4.36Å; Y447-T470 WeakPolarHBondContact CE1-OG1 3.47Å; Y447-T470 PolarHBondContact OH-OG1 3.34Å
448V86.6Confident83.6Confident69 Ų6965.8 Ų65.842%0.41831%0.307SS..Hα-helixtrans-61.9-41.6179.6173.40000111.3R444 F446 K452R444-V448 WeakPolarHBondContact O-CG2 3.44Å; R444-V448 PolarHBondContact O-N 2.86Å; R444-V448 VanDerWaalsContact O-N 3.15Å; F446-V448 PolarHBondContact O-N 3.01Å; V448-K452 HydrophobicContact CG1-CD 4.32Å; V448-K452 VanDerWaalsContact O-CG 3.3Å; V448-K452 WeakPolarHBondContact O-CG 3.45Å; V448-K452 PolarHBondContact O-N 2.83Å; V448-K452 VanDerWaalsContact O-N 3.16Å
449K80.7Confident82.7Confident68 Ų6868.4 Ų68.430%0.29632%0.323SS..Hα-helixtrans-69.4-43.5179.1-74-175.9178.8-173.70112.3Y445 F446 Y447 K452 A453 D462Y445-K449 WeakPolarHBondContact O-CG 3.32Å; Y445-K449 PolarHBondContact O-N 2.87Å; F446-K449 PolarHBondContact O-N 3.39Å; Y447-K449 VanDerWaalsContact C-N 3.33Å; Y447-K449 PolarHBondContact O-N 3.42Å; K449-K452 PolarHBondContact O-N 2.96Å; K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 3.47Å; K449-D462 HydrophobicContact CB-CB 4.31Å; K449-D462 WeakPolarHBondContact CB-OD2 3.21Å; K449-D462 WeakPolarHBondContact CD-OD2 3.35Å
450S84.5Confident81.8Confident6 Ų670.3 Ų70.34%0.04233%0.333CS..Hα-helixtrans-64.5-43.8178.1-58.60000111.6F446 Y447 K452 A453 V454 D462 V463 V466F446-S450 WeakPolarHBondContact O-CB 3.33Å; F446-S450 PolarHBondContact O-N 2.88Å; F446-S450 PolarHBondContact O-OG 3Å; Y447-S450 PolarHBondContact O-N 3.17Å; S450-K452 PolarHBondContact O-N 3.1Å; S450-A453 PolarHBondContact O-N 2.7Å; S450-V454 WeakPolarHBondContact O-CB 3.32Å; S450-V454 VanDerWaalsContact O-CG2 3.3Å; S450-V454 WeakPolarHBondContact O-CG2 3.31Å; S450-V454 PolarHBondContact O-N 2.99Å; S450-D462 VanDerWaalsContact OG-CB 3.27Å; S450-D462 WeakPolarHBondContact OG-CB 3.32Å; S450-D462 PolarHBondContact OG-O 2.71Å; S450-V463 PolarHBondContact OG-N 2.94Å; S450-V466 WeakPolarHBondContact OG-CG2 3.2Å
451Y85.5Confident80.9Confident160 Ų16067 Ų6763%0.62732%0.317SS*.Hα-helixtrans-59.4-45.9176.1179.3-101.6000111.7Y447 V454 R455Y447-Y451 VanDerWaalsContact O-CB 3.25Å; Y447-Y451 WeakPolarHBondContact O-CB 3.48Å; Y447-Y451 PolarHBondContact O-N 2.81Å; Y451-V454 PolarHBondContact O-N 3.31Å; Y451-R455 WeakPolarHBondContact O-CB 3.35Å; Y451-R455 PolarHBondContact O-N 2.91Å
452K77.7Confident80.4Confident66 Ų6661.7 Ų61.729%0.28729%0.293SS..Hα-helixtrans-61-45174.3-74.1175.8174.1-173.30112.2T231 V448 K449 S450 V454 R455 H456T231-K452 PolarHBondContact OG1-NZ 2.87Å; V448-K452 HydrophobicContact CG1-CD 4.32Å; V448-K452 VanDerWaalsContact O-CG 3.3Å; V448-K452 WeakPolarHBondContact O-CG 3.45Å; V448-K452 PolarHBondContact O-N 2.83Å; V448-K452 VanDerWaalsContact O-N 3.16Å; K449-K452 PolarHBondContact O-N 2.96Å; S450-K452 PolarHBondContact O-N 3.1Å; K452-V454 PolarHBondContact O-N 2.77Å; K452-R455 PolarHBondContact O-N 2.79Å; K452-H456 PolarHBondContact O-CD2 3.18Å; K452-H456 PolarHBondContact O-N 3.12Å
453A74.7Confident80.3Confident0 Ų062.7 Ų62.70%030%0.3CS..Hα-helixtrans-60.3-47.8179.900000111.9K449 S450 H456 C457 S458 N460 V463K449-A453 WeakPolarHBondContact O-CB 3.35Å; K449-A453 PolarHBondContact O-N 3.47Å; S450-A453 PolarHBondContact O-N 2.7Å; A453-H456 CarbonylContact O-C 3.6Å; A453-H456 PolarHBondContact O-N 3.08Å; A453-H456 VanDerWaalsContact O-N 3.17Å; A453-C457 PolarHBondContact O-N 3.39Å; A453-S458 CarbonylContact C-O 3.48Å; A453-S458 PolarHBondContact O-N 2.81Å; A453-S458 PolarHBondContact O-OG 3.29Å; A453-N460 HydrophobicContact CB-CB 3.89Å; A453-N460 WeakPolarHBondContact CB-ND2 3.5Å; A453-V463 HydrophobicContact CB-CG2 4.19Å
454V81.6Confident80.1Confident85 Ų8562.8 Ų62.852%0.51530%0.3SS..Hα-helixtrans-64-40.7178.8173.20000110.9S450 Y451 K452 H456 C457 V463S450-V454 WeakPolarHBondContact O-CB 3.32Å; S450-V454 VanDerWaalsContact O-CG2 3.3Å; S450-V454 WeakPolarHBondContact O-CG2 3.31Å; S450-V454 PolarHBondContact O-N 2.99Å; Y451-V454 PolarHBondContact O-N 3.31Å; K452-V454 PolarHBondContact O-N 2.77Å; V454-H456 PolarHBondContact O-N 3.35Å; V454-C457 PolarHBondContact O-N 2.81Å; V454-V463 HydrophobicContact CG2-CG1 4.24Å; V454-V463 HydrophobicContact CG2-CG2 3.99Å
455R80.5Confident79.8Confident188 Ų18855.6 Ų55.671%0.70927%0.273SS*.Hα-helixtrans-59.3-31.9175.5-171.3179.3178.7-170.8-1.1112.8Y451 K452 C457Y451-R455 WeakPolarHBondContact O-CB 3.35Å; Y451-R455 PolarHBondContact O-N 2.91Å; K452-R455 PolarHBondContact O-N 2.79Å; R455-C457 VanDerWaalsContact C-N 3.32Å
456H69.3Low80Confident43 Ų4353.1 Ų53.120%0.19927%0.265CS..THydrogen-bonded Turntrans-90.817175.6-64.1-64.4000113.7K452 A453 V454 S458K452-H456 PolarHBondContact O-CD2 3.18Å; K452-H456 PolarHBondContact O-N 3.12Å; A453-H456 CarbonylContact O-C 3.6Å; A453-H456 PolarHBondContact O-N 3.08Å; A453-H456 VanDerWaalsContact O-N 3.17Å; V454-H456 PolarHBondContact O-N 3.35Å; H456-S458 PolarHBondContact O-N 3.22Å; H456-S458 VanDerWaalsContact O-N 3.12Å
457C75.1Confident80Confident129 Ų12955.9 Ų55.987%0.87228%0.28SS*.THydrogen-bonded Turntrans51.634.6-176.8-680000113.4A453 V454 R455A453-C457 PolarHBondContact O-N 3.39Å; V454-C457 PolarHBondContact O-N 2.81Å; R455-C457 VanDerWaalsContact C-N 3.32Å
458S67.3Low79.8Confident32 Ų3252.5 Ų52.522%0.22427%0.267CS..  trans-119.2140.4177.268.50000110A453 H456A453-S458 CarbonylContact C-O 3.48Å; A453-S458 PolarHBondContact O-N 2.81Å; A453-S458 PolarHBondContact O-OG 3.29Å; H456-S458 PolarHBondContact O-N 3.22Å; H456-S458 VanDerWaalsContact O-N 3.12Å
459V72.6Confident80Confident56 Ų5649.3 Ų49.334%0.33925%0.248SC..  trans-105111.8178.6-167.10000108.6V463 V657V459-V463 HydrophobicContact CG1-CB 4.19Å; V459-V463 HydrophobicContact CG1-CG1 4.25Å; V459-V463 HydrophobicContact CG1-CG2 4.5Å; V459-V657 HydrophobicContact CB-CG1 4.46Å; V459-V657 HydrophobicContact CG1-CB 4.03Å; V459-V657 HydrophobicContact CG1-CG1 3.36Å
460N72.1Confident80.5Confident45 Ų4547.9 Ų47.924%0.24125%0.245CC..  trans-101.7164178.2-71-7.4000110.8A453 D462 V463A453-N460 HydrophobicContact CB-CB 3.89Å; A453-N460 WeakPolarHBondContact CB-ND2 3.5Å; N460-D462 PolarHBondContact O-N 2.77Å; N460-V463 HydrophobicContact CB-CG2 4.47Å; N460-V463 WeakPolarHBondContact O-CB 3.16Å; N460-V463 WeakPolarHBondContact O-CG2 3.35Å; N460-V463 PolarHBondContact O-N 3.31Å
461M74.2Confident80.7Confident30 Ų3050.7 Ų50.715%0.14826%0.259CS..Hα-helixtrans-57.7-35.5177.8-54.8-177.6-167.200112.6V463 L464 I465 P735M461-V463 PolarHBondContact O-N 2.89Å; M461-L464 VanDerWaalsContact O-CB 3.32Å; M461-L464 WeakPolarHBondContact O-CB 3.35Å; M461-L464 PolarHBondContact O-N 3.35Å; M461-L464 VanDerWaalsContact O-N 3.09Å; M461-I465 PolarHBondContact O-N 2.89Å; M461-P735 HydrophobicContact CE-CB 4.17Å; M461-P735 HydrophobicContact CE-CG 3.73Å; M461-P735 WeakPolarHBondContact CE-O 3.27Å; M461-P735 HydrophobicContact CG-CG 3.85Å; M461-P735 HydrophobicContact SD-CB 4.48Å; M461-P735 HydrophobicContact SD-CG 3.79Å
462D79.7Confident80.8Confident10 Ų1043 Ų435%0.05323%0.229CC..Hα-helixtrans-61.2-27177.9-56.4-34.5000111.2F446 K449 S450 N460 I465 V466 R510F446-D462 HydrophobicContact CD1-CB 4.35Å; K449-D462 HydrophobicContact CB-CB 4.31Å; K449-D462 WeakPolarHBondContact CB-OD2 3.21Å; K449-D462 WeakPolarHBondContact CD-OD2 3.35Å; S450-D462 VanDerWaalsContact OG-CB 3.27Å; S450-D462 WeakPolarHBondContact OG-CB 3.32Å; S450-D462 PolarHBondContact OG-O 2.71Å; N460-D462 PolarHBondContact O-N 2.77Å; D462-I465 PolarHBondContact O-N 3.09Å; D462-V466 WeakPolarHBondContact O-CB 3.46Å; D462-V466 VanDerWaalsContact O-CG2 3.3Å; D462-V466 WeakPolarHBondContact O-CG2 3.47Å; D462-V466 PolarHBondContact O-N 3.41Å; D462-R510 IonicContact OD1-CZ 3.67Å; D462-R510 IonicContact OD1-NH2 3.95Å; D462-R510 PolarHBondContact OD1-NH2 2.86Å
463V83.8Confident81.5Confident22 Ų2241.8 Ų41.813%0.13322%0.223CC..Hα-helixtrans-65.6-42.3176.6-178.80000110.3S450 A453 V454 V459 N460 M461 I465 V466 L467S450-V463 PolarHBondContact OG-N 2.94Å; A453-V463 HydrophobicContact CB-CG2 4.19Å; V454-V463 HydrophobicContact CG2-CG1 4.24Å; V454-V463 HydrophobicContact CG2-CG2 3.99Å; V459-V463 HydrophobicContact CG1-CB 4.19Å; V459-V463 HydrophobicContact CG1-CG1 4.25Å; V459-V463 HydrophobicContact CG1-CG2 4.5Å; N460-V463 HydrophobicContact CB-CG2 4.47Å; N460-V463 WeakPolarHBondContact O-CB 3.16Å; N460-V463 WeakPolarHBondContact O-CG2 3.35Å; N460-V463 PolarHBondContact O-N 3.31Å; M461-V463 PolarHBondContact O-N 2.89Å; V463-I465 VanDerWaalsContact C-N 3.32Å; V463-I465 PolarHBondContact O-N 3.1Å; V463-V466 PolarHBondContact O-N 2.97Å; V463-L467 WeakPolarHBondContact O-CB 3.37Å; V463-L467 PolarHBondContact O-N 2.88Å
464L83.2Confident82.3Confident2 Ų245.3 Ų45.31%0.0124%0.244CC..Hα-helixtrans-60.4-44177.4-165.575.6000111.3M461 L467 A468 V657 V660 I661 L730M461-L464 VanDerWaalsContact O-CB 3.32Å; M461-L464 WeakPolarHBondContact O-CB 3.35Å; M461-L464 PolarHBondContact O-N 3.35Å; M461-L464 VanDerWaalsContact O-N 3.09Å; L464-L467 PolarHBondContact O-N 3.24Å; L464-A468 WeakPolarHBondContact O-CB 3.41Å; L464-A468 PolarHBondContact O-N 3.19Å; L464-V657 HydrophobicContact CB-CG1 4.49Å; L464-V657 HydrophobicContact CD1-CG1 4.23Å; L464-V660 HydrophobicContact CD1-CG1 3.96Å; L464-V660 HydrophobicContact CD2-CG1 4.42Å; L464-I661 HydrophobicContact CD1-CG1 4.12Å; L464-L730 HydrophobicContact CD1-CD1 3.28Å; L464-L730 HydrophobicContact CD1-CG 3.78Å; L464-L730 VanDerWaalsContact CD2-O 3.29Å; L464-L730 WeakPolarHBondContact CD2-O 3.36Å; L464-L730 HydrophobicContact CG-CD1 4.1Å; L464-L730 HydrophobicContact CG-CG 4.04Å
465I83.9Confident82.6Confident8 Ų844 Ų444%0.04123%0.23CC..Hα-helixtrans-68.3-46.9-178.6-60.5163.2000110.7F446 M461 D462 V463 L467 A468 T469 L503 I506F446-I465 HydrophobicContact CD1-CD1 4.33Å; F446-I465 HydrophobicContact CE1-CD1 4.23Å; M461-I465 PolarHBondContact O-N 2.89Å; D462-I465 PolarHBondContact O-N 3.09Å; V463-I465 VanDerWaalsContact C-N 3.32Å; V463-I465 PolarHBondContact O-N 3.1Å; I465-L467 VanDerWaalsContact C-N 3.29Å; I465-L467 PolarHBondContact O-N 3.25Å; I465-A468 PolarHBondContact O-N 3.2Å; I465-T469 HydrophobicContact CG2-CG2 4.38Å; I465-T469 WeakPolarHBondContact O-CB 3.35Å; I465-T469 VanDerWaalsContact O-CG2 3.3Å; I465-T469 WeakPolarHBondContact O-CG2 3.47Å; I465-T469 PolarHBondContact O-N 2.86Å; I465-T469 PolarHBondContact O-OG1 3.12Å; I465-L503 HydrophobicContact CG2-CD2 4.31Å; I465-I506 HydrophobicContact CB-CD1 4.37Å; I465-I506 HydrophobicContact CD1-CD1 3.91Å; I465-I506 HydrophobicContact CD1-CG2 3.84Å; I465-I506 HydrophobicContact CG1-CD1 3.78Å; I465-I506 HydrophobicContact CG2-CD1 3.7Å
466V89.2Confident83Confident19 Ų1935 Ų3512%0.11520%0.197CC..Hα-helixtrans-62.5-40.4176.6168.10000110.4F446 Y447 S450 D462 V463 T469 T470F446-V466 HydrophobicContact CB-CG2 3.8Å; Y447-V466 HydrophobicContact CD1-CG1 3.59Å; Y447-V466 HydrophobicContact CD1-CG2 4.2Å; Y447-V466 HydrophobicContact CE1-CG1 3.42Å; Y447-V466 VanDerWaalsContact CE1-CG1 3.42Å; Y447-V466 HydrophobicContact CG-CG2 4.36Å; S450-V466 WeakPolarHBondContact OG-CG2 3.2Å; D462-V466 WeakPolarHBondContact O-CB 3.46Å; D462-V466 VanDerWaalsContact O-CG2 3.3Å; D462-V466 WeakPolarHBondContact O-CG2 3.47Å; D462-V466 PolarHBondContact O-N 3.41Å; V463-V466 PolarHBondContact O-N 2.97Å; V466-T469 PolarHBondContact O-OG1 3.16Å; V466-T470 WeakPolarHBondContact O-CB 3.48Å; V466-T470 PolarHBondContact O-N 3.09Å; V466-T470 PolarHBondContact O-OG1 3.43Å
467L87.9Confident84Confident61 Ų6134.6 Ų34.632%0.31920%0.197SC..Hα-helixtrans-61.8-51.5176.6-170.369.9000110.8V463 L464 I465 T469 I471 I661 L730V463-L467 WeakPolarHBondContact O-CB 3.37Å; V463-L467 PolarHBondContact O-N 2.88Å; L464-L467 PolarHBondContact O-N 3.24Å; I465-L467 VanDerWaalsContact C-N 3.29Å; I465-L467 PolarHBondContact O-N 3.25Å; L467-T469 PolarHBondContact O-N 2.74Å; L467-I471 HydrophobicContact CD1-CD1 3.61Å; L467-I471 HydrophobicContact CD1-CG1 4.21Å; L467-I471 HydrophobicContact CD2-CD1 4.48Å; L467-I471 HydrophobicContact CG-CD1 3.64Å; L467-I471 HydrophobicContact CG-CG1 4.43Å; L467-I471 WeakPolarHBondContact O-CB 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.39Å; L467-I471 PolarHBondContact O-N 3Å; L467-I661 HydrophobicContact CD2-CD1 4.34Å; L467-I661 HydrophobicContact CD2-CG1 4.34Å; L467-L730 HydrophobicContact CB-CD2 4.43Å; L467-L730 HydrophobicContact CD2-CD2 4.26Å; L467-L730 HydrophobicContact CG-CD2 4.32Å
468A86.2Confident84.6Confident3 Ų332.6 Ų32.63%0.02518%0.18CC..Hα-helixtrans-57.9-52.1179.700000112.6L464 I465 S472 L502 L730L464-A468 WeakPolarHBondContact O-CB 3.41Å; L464-A468 PolarHBondContact O-N 3.19Å; I465-A468 PolarHBondContact O-N 3.2Å; A468-S472 WeakPolarHBondContact O-CB 3.32Å; A468-S472 PolarHBondContact O-N 3.45Å; A468-S472 VanDerWaalsContact O-N 3.09Å; A468-S472 PolarHBondContact O-OG 3.16Å; A468-L502 HydrophobicContact CB-CD1 4.36Å; A468-L730 HydrophobicContact CB-CB 4.48Å; A468-L730 HydrophobicContact CB-CD2 3.54Å; A468-L730 HydrophobicContact CB-CG 4.15Å
469T89.7Confident85.4Confident2 Ų232.1 Ų32.11%0.01218%0.175CC..Hα-helixtrans-69-41.4-176.455.70000111.8Q439 I465 V466 L467 Y473 P499 L502 L503Q439-T469 PolarHBondContact NE2-OG1 2.56Å; I465-T469 HydrophobicContact CG2-CG2 4.38Å; I465-T469 WeakPolarHBondContact O-CB 3.35Å; I465-T469 VanDerWaalsContact O-CG2 3.3Å; I465-T469 WeakPolarHBondContact O-CG2 3.47Å; I465-T469 PolarHBondContact O-N 2.86Å; I465-T469 PolarHBondContact O-OG1 3.12Å; V466-T469 PolarHBondContact O-OG1 3.16Å; L467-T469 PolarHBondContact O-N 2.74Å; T469-Y473 VanDerWaalsContact O-CB 3.23Å; T469-Y473 WeakPolarHBondContact O-CB 3.43Å; T469-Y473 PolarHBondContact O-N 2.97Å; T469-P499 HydrophobicContact CG2-CB 4.31Å; T469-L502 HydrophobicContact CG2-CB 4.18Å; T469-L502 HydrophobicContact CG2-CD1 4.12Å; T469-L503 HydrophobicContact CG2-CD2 4.31Å; T469-L503 HydrophobicContact CG2-CG 4.1Å
470T91.8Very high86Confident39 Ų3930.8 Ų30.824%0.23917%0.166CC..Hα-helixtrans-70.1-43179.7-51.90000111.4Y447 V466 Y473 V474Y447-T470 WeakPolarHBondContact CE1-OG1 3.47Å; Y447-T470 PolarHBondContact OH-OG1 3.34Å; V466-T470 WeakPolarHBondContact O-CB 3.48Å; V466-T470 PolarHBondContact O-N 3.09Å; V466-T470 PolarHBondContact O-OG1 3.43Å; T470-Y473 PolarHBondContact O-N 3.3Å; T470-V474 HydrophobicContact CG2-CG2 3.92Å; T470-V474 VanDerWaalsContact O-CB 3.3Å; T470-V474 WeakPolarHBondContact O-CB 3.29Å; T470-V474 VanDerWaalsContact O-CG2 3.24Å; T470-V474 WeakPolarHBondContact O-CG2 3.44Å; T470-V474 PolarHBondContact O-N 3.4Å
471I89.2Confident86.7Confident64 Ų6433.5 Ų33.533%0.32818%0.179SC..Hα-helixtrans-60.9-47.2177.4-74.4176.7000110.2L467 Y473 Y475 F723L467-I471 HydrophobicContact CD1-CD1 3.61Å; L467-I471 HydrophobicContact CD1-CG1 4.21Å; L467-I471 HydrophobicContact CD2-CD1 4.48Å; L467-I471 HydrophobicContact CG-CD1 3.64Å; L467-I471 HydrophobicContact CG-CG1 4.43Å; L467-I471 WeakPolarHBondContact O-CB 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.39Å; L467-I471 PolarHBondContact O-N 3Å; I471-Y473 PolarHBondContact O-N 3.42Å; I471-Y475 WeakPolarHBondContact O-CB 3.26Å; I471-Y475 PolarHBondContact O-N 2.82Å; I471-F723 HydrophobicContact CG2-CE2 3.34Å; I471-F723 HydrophobicContact CG2-CZ 3.35Å
472S87.3Confident87.2Confident0 Ų033.4 Ų33.40%018%0.184CC..Hα-helixtrans-61.2-44.4178.2-51.70000111.9A468 S476 I727A468-S472 WeakPolarHBondContact O-CB 3.32Å; A468-S472 PolarHBondContact O-N 3.45Å; A468-S472 VanDerWaalsContact O-N 3.09Å; A468-S472 PolarHBondContact O-OG 3.16Å; S472-S476 WeakPolarHBondContact O-CB 3.03Å; S472-S476 PolarHBondContact O-N 3.02Å; S472-S476 VanDerWaalsContact O-N 3.13Å; S472-S476 PolarHBondContact O-OG 3.11Å; S472-I727 VanDerWaalsContact OG-CD1 3.24Å; S472-I727 WeakPolarHBondContact OG-CD1 3.43Å
473Y91.8Very high87.2Confident39 Ų3933 Ų3315%0.15318%0.181CC..Hα-helixtrans-67-49.8179.5-177.8-95.1000112.1F432 T436 Q439 T469 T470 I471 Y475 S476 V477 F496F432-Y473 WeakPolarHBondContact CE2-OH 3.08Å; T436-Y473 WeakPolarHBondContact CG2-OH 3.39Å; T436-Y473 PolarHBondContact OG1-OH 3.21Å; Q439-Y473 HydrophobicContact CG-CD2 4.4Å; Q439-Y473 HydrophobicContact CG-CG 4.3Å; T469-Y473 VanDerWaalsContact O-CB 3.23Å; T469-Y473 WeakPolarHBondContact O-CB 3.43Å; T469-Y473 PolarHBondContact O-N 2.97Å; T470-Y473 PolarHBondContact O-N 3.3Å; I471-Y473 PolarHBondContact O-N 3.42Å; Y473-Y475 PolarHBondContact O-N 3.33Å; Y473-S476 PolarHBondContact O-N 3Å; Y473-V477 HydrophobicContact CD1-CG2 4.14Å; Y473-V477 HydrophobicContact CE1-CG2 3.77Å; Y473-V477 HydrophobicContact CE2-CG2 4.42Å; Y473-V477 WeakPolarHBondContact O-CG2 3.16Å; Y473-V477 PolarHBondContact O-N 3.19Å; Y473-F496 HydrophobicContact CD2-CD1 4.1Å; Y473-F496 HydrophobicContact CD2-CE1 4.02Å; Y473-F496 HydrophobicContact CE2-CD1 4.32Å; Y473-F496 HydrophobicContact CE2-CE1 4.04Å
474V92.1Very high87.2Confident75 Ų7533.6 Ų33.646%0.45519%0.189SC..Hα-helixtrans-63.8-43.5-179.2171.50000110.7T470 S476 V477 V478T470-V474 HydrophobicContact CG2-CG2 3.92Å; T470-V474 VanDerWaalsContact O-CB 3.3Å; T470-V474 WeakPolarHBondContact O-CB 3.29Å; T470-V474 VanDerWaalsContact O-CG2 3.24Å; T470-V474 WeakPolarHBondContact O-CG2 3.44Å; T470-V474 PolarHBondContact O-N 3.4Å; V474-S476 VanDerWaalsContact C-N 3.31Å; V474-S476 PolarHBondContact O-N 3.42Å; V474-V477 PolarHBondContact O-N 3.38Å; V474-V478 HydrophobicContact CG1-CG2 4.21Å; V474-V478 WeakPolarHBondContact O-CB 3.48Å; V474-V478 VanDerWaalsContact O-CG2 3.25Å; V474-V478 WeakPolarHBondContact O-CG2 3.42Å; V474-V478 PolarHBondContact O-N 2.98Å
475Y87.5Confident87.2Confident57 Ų5737.8 Ų37.822%0.22422%0.218CC..Hα-helixtrans-56.4-46.6174.9177.1-94.1000111.6I471 Y473 V477 V478 L479 F495 F723I471-Y475 WeakPolarHBondContact O-CB 3.26Å; I471-Y475 PolarHBondContact O-N 2.82Å; Y473-Y475 PolarHBondContact O-N 3.33Å; Y475-V477 PolarHBondContact O-N 2.87Å; Y475-V478 PolarHBondContact O-N 2.73Å; Y475-L479 HydrophobicContact CD1-CD1 3.89Å; Y475-L479 HydrophobicContact CD1-CG 4.38Å; Y475-L479 HydrophobicContact CE1-CD1 3.22Å; Y475-L479 HydrophobicContact CE1-CG 4.01Å; Y475-L479 HydrophobicContact CE2-CD1 4.42Å; Y475-L479 WeakPolarHBondContact O-CG 3.46Å; Y475-L479 PolarHBondContact O-N 2.8Å; Y475-F495 AromaticContact CD1-CD2 3.66Å; Y475-F495 HydrophobicContact CD1-CD2 3.66Å; Y475-F495 AromaticContact CD1-CE2 3.99Å; Y475-F495 HydrophobicContact CD1-CE2 3.99Å; Y475-F495 AromaticContact CE1-CD2 3.64Å; Y475-F495 HydrophobicContact CE1-CD2 3.64Å; Y475-F495 AromaticContact CE1-CE2 3.53Å; Y475-F495 HydrophobicContact CE1-CE2 3.53Å; Y475-F723 HydrophobicContact CD1-CD1 4.3Å; Y475-F723 AromaticContact CD1-CE1 3.71Å; Y475-F723 HydrophobicContact CD1-CE1 3.71Å; Y475-F723 HydrophobicContact CD1-CZ 4.18Å; Y475-F723 HydrophobicContact CD2-CE1 4.34Å; Y475-F723 HydrophobicContact CD2-CE2 4.49Å; Y475-F723 HydrophobicContact CD2-CZ 4.12Å; Y475-F723 HydrophobicContact CE1-CD1 4.38Å; Y475-F723 HydrophobicContact CE1-CE1 4.23Å; Y475-F723 AromaticContact CG-CE1 3.75Å; Y475-F723 HydrophobicContact CG-CE1 3.75Å; Y475-F723 AromaticContact CG-CZ 3.72Å; Y475-F723 HydrophobicContact CG-CZ 3.72Å
476S88.5Confident87.2Confident0 Ų042.7 Ų42.70%024%0.244CC..Hα-helixtrans-64.7-40.3179.2-57.50000112.9S472 Y473 V474 L480 F495 F496S472-S476 WeakPolarHBondContact O-CB 3.03Å; S472-S476 PolarHBondContact O-N 3.02Å; S472-S476 VanDerWaalsContact O-N 3.13Å; S472-S476 PolarHBondContact O-OG 3.11Å; Y473-S476 PolarHBondContact O-N 3Å; V474-S476 VanDerWaalsContact C-N 3.31Å; V474-S476 PolarHBondContact O-N 3.42Å; S476-L480 WeakPolarHBondContact O-CB 3.34Å; S476-L480 PolarHBondContact O-N 3.37Å; S476-F495 WeakPolarHBondContact OG-CA 3.38Å; S476-F495 PolarHBondContact OG-N 2.82Å; S476-F496 VanDerWaalsContact CB-CE1 3.43Å; S476-F496 VanDerWaalsContact CB-CZ 3.43Å
477V90.2Very high86.6Confident33 Ų3348.2 Ų48.220%0.227%0.269CS..Hα-helixtrans-65.4-44.2175.2172.10000111.1F432 Y473 V474 Y475 L479 L480 I481 F496F432-V477 HydrophobicContact CD2-CG2 4.2Å; F432-V477 HydrophobicContact CE2-CG2 3.82Å; Y473-V477 HydrophobicContact CD1-CG2 4.14Å; Y473-V477 HydrophobicContact CE1-CG2 3.77Å; Y473-V477 HydrophobicContact CE2-CG2 4.42Å; Y473-V477 WeakPolarHBondContact O-CG2 3.16Å; Y473-V477 PolarHBondContact O-N 3.19Å; V474-V477 PolarHBondContact O-N 3.38Å; Y475-V477 PolarHBondContact O-N 2.87Å; V477-L479 PolarHBondContact O-N 2.83Å; V477-L480 PolarHBondContact O-N 2.8Å; V477-I481 HydrophobicContact CG1-CD1 3.69Å; V477-I481 HydrophobicContact CG1-CG1 4.36Å; V477-I481 VanDerWaalsContact O-CG1 3.27Å; V477-I481 WeakPolarHBondContact O-CG1 3.08Å; V477-I481 PolarHBondContact O-N 2.82Å; V477-F496 HydrophobicContact CG2-CE1 3.82Å; V477-F496 HydrophobicContact CG2-CZ 3.89Å
478V89Confident85.7Confident87 Ų8749 Ų4953%0.52727%0.268SS..Hα-helixtrans-62.7-42.9178.5170.50000110.8V474 Y475 I481 A482V474-V478 HydrophobicContact CG1-CG2 4.21Å; V474-V478 WeakPolarHBondContact O-CB 3.48Å; V474-V478 VanDerWaalsContact O-CG2 3.25Å; V474-V478 WeakPolarHBondContact O-CG2 3.42Å; V474-V478 PolarHBondContact O-N 2.98Å; Y475-V478 PolarHBondContact O-N 2.73Å; V478-I481 PolarHBondContact O-N 3.34Å; V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.11Å; V478-A482 PolarHBondContact O-N 3.07Å
479L84Confident84.7Confident23 Ų2354.8 Ų54.812%0.1230%0.303CS..Hα-helixtrans-62.1-44.4174.4-77-175.3000112.4Y475 V477 I481 A482 A483 P492Y475-L479 HydrophobicContact CD1-CD1 3.89Å; Y475-L479 HydrophobicContact CD1-CG 4.38Å; Y475-L479 HydrophobicContact CE1-CD1 3.22Å; Y475-L479 HydrophobicContact CE1-CG 4.01Å; Y475-L479 HydrophobicContact CE2-CD1 4.42Å; Y475-L479 WeakPolarHBondContact O-CG 3.46Å; Y475-L479 PolarHBondContact O-N 2.8Å; V477-L479 PolarHBondContact O-N 2.83Å; L479-I481 VanDerWaalsContact C-N 3.33Å; L479-I481 PolarHBondContact O-N 3.02Å; L479-A482 PolarHBondContact O-N 2.93Å; L479-A483 VanDerWaalsContact O-CB 3.32Å; L479-A483 WeakPolarHBondContact O-CB 3.46Å; L479-A483 PolarHBondContact O-N 3.47Å; L479-P492 HydrophobicContact CB-CB 4.39Å; L479-P492 HydrophobicContact CB-CG 4.35Å
480L84.7Confident83.6Confident27 Ų2759.2 Ų59.214%0.14133%0.325CS..Hα-helixtrans-64.2-39.5179.3-170144.9000111.6V424 N428 S476 V477 A484 F496V424-L480 HydrophobicContact CG1-CD1 4.21Å; V424-L480 HydrophobicContact CG1-CD2 4.47Å; V424-L480 HydrophobicContact CG1-CG 4.36Å; V424-L480 HydrophobicContact CG2-CD2 4.14Å; V424-L480 HydrophobicContact CG2-CG 4.2Å; N428-L480 HydrophobicContact CB-CD1 4.36Å; S476-L480 WeakPolarHBondContact O-CB 3.34Å; S476-L480 PolarHBondContact O-N 3.37Å; V477-L480 PolarHBondContact O-N 2.8Å; L480-A484 VanDerWaalsContact O-CB 3.3Å; L480-A484 WeakPolarHBondContact O-CB 3.39Å; L480-A484 PolarHBondContact O-N 3.24Å; L480-F496 HydrophobicContact CD1-CE2 3.95Å
481I87Confident82.3Confident102 Ų10257.8 Ų57.852%0.52332%0.317SS..Hα-helixtrans-66.7-44.8173.9-67167.8000110.8V477 V478 L479 A484 S485V477-I481 HydrophobicContact CG1-CD1 3.69Å; V477-I481 HydrophobicContact CG1-CG1 4.36Å; V477-I481 VanDerWaalsContact O-CG1 3.27Å; V477-I481 WeakPolarHBondContact O-CG1 3.08Å; V477-I481 PolarHBondContact O-N 2.82Å; V478-I481 PolarHBondContact O-N 3.34Å; L479-I481 VanDerWaalsContact C-N 3.33Å; L479-I481 PolarHBondContact O-N 3.02Å; I481-A484 PolarHBondContact O-N 2.94Å; I481-S485 WeakPolarHBondContact O-CB 3.32Å; I481-S485 PolarHBondContact O-N 3.37Å; I481-S485 PolarHBondContact O-OG 2.69Å
482A84.6Confident81.3Confident29 Ų2955 Ų5524%0.2430%0.303CS..Hα-helixtrans-61.3-4817900000111.2V478 L479 A484 S485 L486V478-A482 VanDerWaalsContact O-CB 3.28Å; V478-A482 WeakPolarHBondContact O-CB 3.11Å; V478-A482 PolarHBondContact O-N 3.07Å; L479-A482 PolarHBondContact O-N 2.93Å; A482-A484 PolarHBondContact O-N 3.42Å; A482-S485 WeakPolarHBondContact CA-OG 3.39Å; A482-S485 PolarHBondContact O-N 3.43Å; A482-S485 PolarHBondContact O-OG 2.87Å; A482-L486 WeakPolarHBondContact O-CB 3.47Å; A482-L486 WeakPolarHBondContact O-CG 3.41Å; A482-L486 PolarHBondContact O-N 3.38Å
483A79.8Confident80.4Confident0 Ų057.9 Ų57.90%032%0.317CS..Hα-helixtrans-62.4-39.8177.400000112.8L479 Q487 W488 P492L479-A483 VanDerWaalsContact O-CB 3.32Å; L479-A483 WeakPolarHBondContact O-CB 3.46Å; L479-A483 PolarHBondContact O-N 3.47Å; A483-Q487 WeakPolarHBondContact O-CA 3.2Å; A483-Q487 PolarHBondContact O-N 3.44Å; A483-W488 HydrophobicContact CB-CB 4.4Å; A483-W488 HydrophobicContact CB-CD2 4.13Å; A483-W488 HydrophobicContact CB-CE3 3.85Å; A483-W488 HydrophobicContact CB-CG 4.39Å; A483-W488 PolarHBondContact O-N 2.91Å; A483-W488 VanDerWaalsContact O-N 3.14Å; A483-P492 HydrophobicContact CB-CG 3.64Å
484A83.2Confident79.9Confident35 Ų3556.9 Ų56.929%0.28932%0.315SS..Hα-helixtrans-66.3-39.1174.100000112.3V424 L480 I481 A482V424-A484 HydrophobicContact CG2-CB 3.88Å; L480-A484 VanDerWaalsContact O-CB 3.3Å; L480-A484 WeakPolarHBondContact O-CB 3.39Å; L480-A484 PolarHBondContact O-N 3.24Å; I481-A484 PolarHBondContact O-N 2.94Å; A482-A484 PolarHBondContact O-N 3.42Å
485S84.1Confident79.4Confident90 Ų9053.9 Ų53.963%0.62930%0.296SS*.Hα-helixtrans-74-35.1-179.1710000113.4I481 A482I481-S485 WeakPolarHBondContact O-CB 3.32Å; I481-S485 PolarHBondContact O-N 3.37Å; I481-S485 PolarHBondContact O-OG 2.69Å; A482-S485 WeakPolarHBondContact CA-OG 3.39Å; A482-S485 PolarHBondContact O-N 3.43Å; A482-S485 PolarHBondContact O-OG 2.87Å
486L82.5Confident79.3Confident111 Ų11151.2 Ų51.258%0.58129%0.285SS*.THydrogen-bonded Turntrans-92.61.4-180-66.1172000112.8A482 W488A482-L486 WeakPolarHBondContact O-CB 3.47Å; A482-L486 WeakPolarHBondContact O-CG 3.41Å; A482-L486 PolarHBondContact O-N 3.38Å; L486-W488 VanDerWaalsContact C-N 3.31Å; L486-W488 VanDerWaalsContact CB-CD1 3.45Å; L486-W488 HydrophobicContact CB-CG 4.47Å; L486-W488 VanDerWaalsContact CB-NE1 3.26Å; L486-W488 HydrophobicContact CD1-CZ2 3.94Å; L486-W488 PolarHBondContact O-N 2.88Å
487Q77.4Confident79Confident136 Ų13652.8 Ų52.864%0.63629%0.294SS*.THydrogen-bonded Turntrans47.450.4-178.3-61.2-167.5-26.300113P422 A483 T489P422-Q487 HydrophobicContact CB-CB 4.14Å; P422-Q487 HydrophobicContact CB-CG 4.2Å; A483-Q487 WeakPolarHBondContact O-CA 3.2Å; A483-Q487 PolarHBondContact O-N 3.44Å; Q487-T489 PolarHBondContact O-N 3.42Å
488W69.8Low78.7Confident78 Ų7851.5 Ų51.530%0.29529%0.286SS..  trans-60.5138.7178.3-69.3-1.6000111G423 A483 L486 I490 P492G423-W488 WeakPolarHBondContact CA-O 3.5Å; G423-W488 PolarHBondContact N-O 3.19Å; A483-W488 HydrophobicContact CB-CB 4.4Å; A483-W488 HydrophobicContact CB-CD2 4.13Å; A483-W488 HydrophobicContact CB-CE3 3.85Å; A483-W488 HydrophobicContact CB-CG 4.39Å; A483-W488 PolarHBondContact O-N 2.91Å; A483-W488 VanDerWaalsContact O-N 3.14Å; L486-W488 VanDerWaalsContact C-N 3.31Å; L486-W488 VanDerWaalsContact CB-CD1 3.45Å; L486-W488 HydrophobicContact CB-CG 4.47Å; L486-W488 VanDerWaalsContact CB-NE1 3.26Å; L486-W488 HydrophobicContact CD1-CZ2 3.94Å; L486-W488 PolarHBondContact O-N 2.88Å; W488-I490 PolarHBondContact O-N 3.26Å; W488-P492 HydrophobicContact CE3-CB 4.34Å; W488-P492 HydrophobicContact CZ3-CB 4.1Å
489T64.6Low78.7Confident124 Ų12447.3 Ų47.376%0.76126%0.261SS*.SBendtrans-75.5-15.7179.653.20000112.9H419 Q487H419-T489 PolarHBondContact NE2-O 2.91Å; Q487-T489 PolarHBondContact O-N 3.42Å
490I65.9Low78.9Confident94 Ų9446.2 Ų46.248%0.48226%0.255SS..SBendtrans-125133.4-179.1-58.4168.4000106.7W488W488-I490 PolarHBondContact O-N 3.26Å
491S65Low78.8Confident9 Ų945.3 Ų45.36%0.06325%0.25CS..  trans-73.4136.3179.4-69.40000111.1H419 G423 S425H419-S491 PolarHBondContact CE1-OG 3.5Å; H419-S491 PolarHBondContact ND1-OG 3.2Å; G423-S491 PolarHBondContact O-OG 3.14Å; S425-S491 WeakPolarHBondContact CB-OG 3.27Å; S425-S491 PolarHBondContact N-OG 2.78Å; S425-S491 WeakPolarHBondContact OG-CB 3.28Å; S425-S491 PolarHBondContact OG-OG 2.7Å
492P68.3Low78.8Confident7 Ų740.7 Ų40.75%0.04523%0.226CC..  trans-68.2155.4-177.330.8-37.4000110.5N428 L479 A483 W488 T494N428-P492 PolarHBondContact ND2-O 3.02Å; L479-P492 HydrophobicContact CB-CB 4.39Å; L479-P492 HydrophobicContact CB-CG 4.35Å; A483-P492 HydrophobicContact CB-CG 3.64Å; W488-P492 HydrophobicContact CE3-CB 4.34Å; W488-P492 HydrophobicContact CZ3-CB 4.1Å; P492-T494 PolarHBondContact O-N 3.27Å
493M68.8Low78.9Confident59 Ų5939.4 Ų39.429%0.29122%0.215SC..  trans-75.5113.9173.7-71.9-88.2-144.400110.2M411 K720M411-M493 HydrophobicContact CE-CE 3.84Å; M411-M493 HydrophobicContact CE-SD 3.55Å; M411-M493 VanDerWaalsContact CE-SD 3.55Å; M411-M493 HydrophobicContact SD-CE 3.03Å; M411-M493 WeakPolarHBondContact SD-CE 3.48Å; M411-M493 HydrophobicContact SD-SD 3.43Å; M493-K720 HydrophobicContact CB-CD 3.86Å; M493-K720 VanDerWaalsContact CB-NZ 3.25Å; M493-K720 HydrophobicContact CG-CD 4.25Å; M493-K720 VanDerWaalsContact CG-NZ 3.29Å; M493-K720 PolarHBondContact SD-NZ 3.23Å
494T80.2Confident79.3Confident19 Ų1940.2 Ų40.212%0.11722%0.22CC..  trans-100.7161.3179.269.20000112.2N428 P492 F496N428-T494 WeakPolarHBondContact OD1-CG2 3.38Å; N428-T494 PolarHBondContact OD1-OG1 2.62Å; P492-T494 PolarHBondContact O-N 3.27Å; T494-F496 HydrophobicContact CG2-CD2 4.01Å; T494-F496 HydrophobicContact CG2-CE2 3.89Å; T494-F496 VanDerWaalsContact OG1-CD2 3.29Å; T494-F496 WeakPolarHBondContact OG1-CD2 3.14Å
495F81.6Confident79.3Confident12 Ų1240.9 Ų40.95%0.05322%0.216CC..  trans-111.335.7175.8-64.8-85.7000111.1Y475 S476 D497 V498 P499 K720 F723 D724Y475-F495 AromaticContact CD1-CD2 3.66Å; Y475-F495 HydrophobicContact CD1-CD2 3.66Å; Y475-F495 AromaticContact CD1-CE2 3.99Å; Y475-F495 HydrophobicContact CD1-CE2 3.99Å; Y475-F495 AromaticContact CE1-CD2 3.64Å; Y475-F495 HydrophobicContact CE1-CD2 3.64Å; Y475-F495 AromaticContact CE1-CE2 3.53Å; Y475-F495 HydrophobicContact CE1-CE2 3.53Å; S476-F495 WeakPolarHBondContact OG-CA 3.38Å; S476-F495 PolarHBondContact OG-N 2.82Å; F495-D497 VanDerWaalsContact C-OD1 3.26Å; F495-D497 WeakPolarHBondContact CA-OD1 3.5Å; F495-D497 PolarHBondContact O-N 3.28Å; F495-V498 HydrophobicContact CB-CG2 4.25Å; F495-V498 HydrophobicContact CD1-CG2 4.16Å; F495-V498 PolarHBondContact O-N 2.69Å; F495-P499 WeakPolarHBondContact O-CD 3.22Å; F495-K720 HydrophobicContact CE2-CG 4.4Å; F495-K720 HydrophobicContact CZ-CG 3.91Å; F495-F723 AromaticContact CD2-CD1 3.98Å; F495-F723 HydrophobicContact CD2-CD1 3.98Å; F495-F723 AromaticContact CD2-CE1 3.91Å; F495-F723 HydrophobicContact CD2-CE1 3.91Å; F495-F723 AromaticContact CE2-CD1 3.55Å; F495-F723 HydrophobicContact CE2-CD1 3.55Å; F495-F723 AromaticContact CE2-CE1 3.97Å; F495-F723 HydrophobicContact CE2-CE1 3.97Å; F495-F723 HydrophobicContact CG-CE1 4.49Å; F495-F723 AromaticContact CZ-CD1 3.88Å; F495-F723 HydrophobicContact CZ-CD1 3.88Å; F495-D724 HydrophobicContact CE1-CB 4.01Å; F495-D724 HydrophobicContact CZ-CB 4.27Å
496F86.9Confident79.2Confident0 Ų037.5 Ų37.50%019%0.191CC..  trans-70.9-14.1179.4-76.2-53.7000113.5L431 F432 C435 Y473 S476 V477 L480 T494 P500L431-F496 HydrophobicContact CB-CB 3.75Å; L431-F496 HydrophobicContact CB-CD2 4.4Å; L431-F496 HydrophobicContact CB-CG 4.46Å; F432-F496 HydrophobicContact CB-CD2 4.18Å; F432-F496 HydrophobicContact CB-CE1 4.4Å; F432-F496 HydrophobicContact CB-CE2 3.88Å; F432-F496 HydrophobicContact CB-CZ 4.01Å; F432-F496 HydrophobicContact CD2-CD1 4.49Å; F432-F496 AromaticContact CD2-CE1 3.67Å; F432-F496 HydrophobicContact CD2-CE1 3.67Å; F432-F496 HydrophobicContact CD2-CE2 4.32Å; F432-F496 AromaticContact CD2-CZ 3.57Å; F432-F496 HydrophobicContact CD2-CZ 3.57Å; F432-F496 HydrophobicContact CG-CZ 4.2Å; C435-F496 HydrophobicContact CB-CB 4.22Å; C435-F496 HydrophobicContact CB-CD1 4.23Å; C435-F496 WeakPolarHBondContact CB-O 3.25Å; C435-F496 PolarHBondContact SG-O 2.79Å; Y473-F496 HydrophobicContact CD2-CD1 4.1Å; Y473-F496 HydrophobicContact CD2-CE1 4.02Å; Y473-F496 HydrophobicContact CE2-CD1 4.32Å; Y473-F496 HydrophobicContact CE2-CE1 4.04Å; S476-F496 VanDerWaalsContact CB-CE1 3.43Å; S476-F496 VanDerWaalsContact CB-CZ 3.43Å; V477-F496 HydrophobicContact CG2-CE1 3.82Å; V477-F496 HydrophobicContact CG2-CZ 3.89Å; L480-F496 HydrophobicContact CD1-CE2 3.95Å; T494-F496 HydrophobicContact CG2-CD2 4.01Å; T494-F496 HydrophobicContact CG2-CE2 3.89Å; T494-F496 VanDerWaalsContact OG1-CD2 3.29Å; T494-F496 WeakPolarHBondContact OG1-CD2 3.14Å; F496-P500 WeakPolarHBondContact O-CD 3.46Å; F496-P500 WeakPolarHBondContact O-CG 3.45Å
497D82.3Confident79.3Confident34 Ų3432.2 Ų32.218%0.18216%0.163CC..SBendtrans-75.6-34.5174.364.1-38.7000113.2V397 F495 P500 M501V397-D497 HydrophobicContact CG1-CB 4.13Å; F495-D497 VanDerWaalsContact C-OD1 3.26Å; F495-D497 WeakPolarHBondContact CA-OD1 3.5Å; F495-D497 PolarHBondContact O-N 3.28Å; D497-P500 WeakPolarHBondContact O-CD 3.46Å; D497-M501 HydrophobicContact CB-CE 4.12Å; D497-M501 VanDerWaalsContact O-CG 3.28Å; D497-M501 WeakPolarHBondContact O-CG 3.13Å; D497-M501 PolarHBondContact O-N 3.37Å
498V83.2Confident79.6Confident5 Ų527.8 Ų27.83%0.0314%0.143CC..Hα-helixtrans-62.1-49.9-175.6174.50000113.1F495 M501 L502 I727 P1146F495-V498 HydrophobicContact CB-CG2 4.25Å; F495-V498 HydrophobicContact CD1-CG2 4.16Å; F495-V498 PolarHBondContact O-N 2.69Å; V498-M501 PolarHBondContact O-N 2.65Å; V498-L502 HydrophobicContact CG1-CD1 3.44Å; V498-L502 VanDerWaalsContact CG1-CD1 3.44Å; V498-L502 HydrophobicContact CG1-CG 4.11Å; V498-L502 WeakPolarHBondContact O-CB 3.18Å; V498-L502 WeakPolarHBondContact O-CG 3.5Å; V498-L502 PolarHBondContact O-N 3.34Å; V498-I727 HydrophobicContact CG1-CG2 4Å; V498-P1146 HydrophobicContact CG1-CB 4.06Å; V498-P1146 HydrophobicContact CG2-CB 4.13Å; V498-P1146 HydrophobicContact CG2-CG 4.12Å
499P88.4Confident79.9Confident0 Ų024.4 Ų24.40%013%0.133CC..Hα-helixtrans-63.4-46.4-177.9-1727.3000114.7Q439 T469 F495 M501 L502 L503Q439-P499 VanDerWaalsContact OE1-CB 3.28Å; T469-P499 HydrophobicContact CG2-CB 4.31Å; F495-P499 WeakPolarHBondContact O-CD 3.22Å; P499-M501 VanDerWaalsContact C-N 3.34Å; P499-M501 PolarHBondContact O-N 2.92Å; P499-L502 PolarHBondContact O-N 3.35Å; P499-L503 VanDerWaalsContact O-CB 3.32Å; P499-L503 WeakPolarHBondContact O-CB 3.37Å; P499-L503 WeakPolarHBondContact O-CG 3.31Å; P499-L503 PolarHBondContact O-N 2.91Å
500P88.7Confident80.5Confident0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-60.5-41.9177.2-26.737.5000112.9V397 C435 V438 F496 D497 M504V397-P500 HydrophobicContact CG1-CB 4.45Å; V397-P500 HydrophobicContact CG1-CG 4.4Å; V397-P500 HydrophobicContact CG2-CB 4.49Å; V397-P500 HydrophobicContact CG2-CG 4.28Å; C435-P500 HydrophobicContact CB-CG 3.93Å; C435-P500 VanDerWaalsContact SG-CD 3.58Å; V438-P500 HydrophobicContact CB-CB 4.42Å; V438-P500 HydrophobicContact CB-CG 4.41Å; V438-P500 HydrophobicContact CG1-CB 4.29Å; V438-P500 HydrophobicContact CG2-CB 4.33Å; F496-P500 WeakPolarHBondContact O-CD 3.46Å; F496-P500 WeakPolarHBondContact O-CG 3.45Å; D497-P500 WeakPolarHBondContact O-CD 3.46Å; P500-M504 WeakPolarHBondContact O-CB 3.48Å; P500-M504 PolarHBondContact O-N 3.5Å
501M83.6Confident81.4Confident8 Ų818.7 Ų18.74%0.0399%0.091CC..Hα-helixtrans-66.7-47.3178.5-67.8-175.5-168.600111.8M398 M401 D497 V498 P499 M504 F505 W1147M398-M501 HydrophobicContact CB-CE 4.14Å; M398-M501 HydrophobicContact CG-CE 4.3Å; M401-M501 HydrophobicContact CE-CE 4.39Å; M401-M501 HydrophobicContact SD-CE 3.89Å; D497-M501 HydrophobicContact CB-CE 4.12Å; D497-M501 VanDerWaalsContact O-CG 3.28Å; D497-M501 WeakPolarHBondContact O-CG 3.13Å; D497-M501 PolarHBondContact O-N 3.37Å; V498-M501 PolarHBondContact O-N 2.65Å; P499-M501 VanDerWaalsContact C-N 3.34Å; P499-M501 PolarHBondContact O-N 2.92Å; M501-M504 PolarHBondContact O-N 3.34Å; M501-F505 VanDerWaalsContact O-CD2 3.25Å; M501-F505 WeakPolarHBondContact O-CD2 3.32Å; M501-F505 PolarHBondContact O-N 3.09Å; M501-F505 VanDerWaalsContact O-N 3.14Å; M501-W1147 HydrophobicContact CB-CB 4.15Å; M501-W1147 HydrophobicContact CG-CB 4.42Å; M501-W1147 HydrophobicContact SD-CB 3.43Å; M501-W1147 WeakPolarHBondContact SD-CB 3.24Å; M501-W1147 HydrophobicContact SD-CG 4.01Å
502L85.4Confident81.8Confident4 Ų420.7 Ų20.72%0.02110%0.101CC..Hα-helixtrans-60.2-50.6177.4-75.6171.7000111.6A468 T469 V498 P499 M504 F505 I506 A731 A1150A468-L502 HydrophobicContact CB-CD1 4.36Å; T469-L502 HydrophobicContact CG2-CB 4.18Å; T469-L502 HydrophobicContact CG2-CD1 4.12Å; V498-L502 HydrophobicContact CG1-CD1 3.44Å; V498-L502 VanDerWaalsContact CG1-CD1 3.44Å; V498-L502 HydrophobicContact CG1-CG 4.11Å; V498-L502 WeakPolarHBondContact O-CB 3.18Å; V498-L502 WeakPolarHBondContact O-CG 3.5Å; V498-L502 PolarHBondContact O-N 3.34Å; P499-L502 PolarHBondContact O-N 3.35Å; L502-M504 VanDerWaalsContact C-N 3.31Å; L502-M504 PolarHBondContact O-N 3.23Å; L502-F505 PolarHBondContact O-N 3.17Å; L502-I506 HydrophobicContact CB-CD1 4.49Å; L502-I506 WeakPolarHBondContact O-CB 3.32Å; L502-I506 WeakPolarHBondContact O-CD1 3.33Å; L502-I506 WeakPolarHBondContact O-CG1 3.19Å; L502-I506 PolarHBondContact O-N 3.22Å; L502-A731 HydrophobicContact CD2-CB 3.6Å; L502-A1150 HydrophobicContact CD2-CB 3.68Å
503L88.2Confident82Confident2 Ų221.4 Ų21.41%0.0110%0.104CC..Hα-helixtrans-65.1-34.7-178.7-71.2173.7000112V438 F446 I465 T469 P499 A507V438-L503 HydrophobicContact CG1-CB 4.1Å; V438-L503 HydrophobicContact CG1-CD1 3.96Å; F446-L503 HydrophobicContact CD2-CD2 3.91Å; F446-L503 HydrophobicContact CE2-CD2 4.05Å; I465-L503 HydrophobicContact CG2-CD2 4.31Å; T469-L503 HydrophobicContact CG2-CD2 4.31Å; T469-L503 HydrophobicContact CG2-CG 4.1Å; P499-L503 VanDerWaalsContact O-CB 3.32Å; P499-L503 WeakPolarHBondContact O-CB 3.37Å; P499-L503 WeakPolarHBondContact O-CG 3.31Å; P499-L503 PolarHBondContact O-N 2.91Å; L503-A507 WeakPolarHBondContact O-CB 2.92Å; L503-A507 PolarHBondContact O-N 3.44Å
504M86.9Confident82.3Confident18 Ų1818.7 Ų18.79%0.0899%0.091CC..Hα-helixtrans-62.7-53.7175.2-179.6-175.669.200111.9F387 L391 P500 M501 L502 A507 L508F387-M504 HydrophobicContact CD2-CG 4.47Å; F387-M504 HydrophobicContact CE2-CG 4.09Å; L391-M504 HydrophobicContact CD1-CG 4.46Å; L391-M504 HydrophobicContact CD1-SD 3.81Å; P500-M504 WeakPolarHBondContact O-CB 3.48Å; P500-M504 PolarHBondContact O-N 3.5Å; M501-M504 PolarHBondContact O-N 3.34Å; L502-M504 VanDerWaalsContact C-N 3.31Å; L502-M504 PolarHBondContact O-N 3.23Å; M504-A507 PolarHBondContact O-N 3.01Å; M504-L508 WeakPolarHBondContact O-CB 3.13Å; M504-L508 PolarHBondContact O-N 3.17Å
505F83.8Confident82.1Confident49 Ų4920 Ų2022%0.21510%0.097CC..Hα-helixtrans-69.7-36-177.1-75.1-62.3000113.1M501 L502 L508 G509 A1150 A1151 A1154M501-F505 VanDerWaalsContact O-CD2 3.25Å; M501-F505 WeakPolarHBondContact O-CD2 3.32Å; M501-F505 PolarHBondContact O-N 3.09Å; M501-F505 VanDerWaalsContact O-N 3.14Å; L502-F505 PolarHBondContact O-N 3.17Å; F505-L508 WeakPolarHBondContact O-CB 3.35Å; F505-L508 PolarHBondContact O-N 2.95Å; F505-G509 PolarHBondContact O-N 3.03Å; F505-A1150 HydrophobicContact CB-CB 3.95Å; F505-A1150 HydrophobicContact CD2-CB 3.76Å; F505-A1150 HydrophobicContact CG-CB 4.22Å; F505-A1151 HydrophobicContact CE1-CB 4.45Å; F505-A1151 HydrophobicContact CE2-CB 4.44Å; F505-A1151 HydrophobicContact CZ-CB 4.31Å; F505-A1154 HydrophobicContact CB-CB 4.38Å; F505-A1154 HydrophobicContact CD1-CB 4.27Å
506I81.4Confident81.3Confident18 Ų1819.7 Ų19.79%0.09210%0.096CC..Hα-helixtrans-69.6-41.9176-65.2167000110.6F446 I465 L502 L508 G509 R510F446-I506 HydrophobicContact CE1-CG2 3.79Å; F446-I506 HydrophobicContact CZ-CG2 3.69Å; I465-I506 HydrophobicContact CB-CD1 4.37Å; I465-I506 HydrophobicContact CD1-CD1 3.91Å; I465-I506 HydrophobicContact CD1-CG2 3.84Å; I465-I506 HydrophobicContact CG1-CD1 3.78Å; I465-I506 HydrophobicContact CG2-CD1 3.7Å; L502-I506 HydrophobicContact CB-CD1 4.49Å; L502-I506 WeakPolarHBondContact O-CB 3.32Å; L502-I506 WeakPolarHBondContact O-CD1 3.33Å; L502-I506 WeakPolarHBondContact O-CG1 3.19Å; L502-I506 PolarHBondContact O-N 3.22Å; I506-L508 VanDerWaalsContact C-N 3.28Å; I506-L508 PolarHBondContact O-N 3.42Å; I506-G509 PolarHBondContact O-N 3.34Å; I506-R510 WeakPolarHBondContact O-CG 3.34Å; I506-R510 PolarHBondContact O-N 3.34Å
507A85.2Confident80.4Confident0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-62.6-37175.400000111.7F387 L503 M504 R510 W511F387-A507 HydrophobicContact CB-CB 4.03Å; L503-A507 WeakPolarHBondContact O-CB 2.92Å; L503-A507 PolarHBondContact O-N 3.44Å; M504-A507 PolarHBondContact O-N 3.01Å; A507-R510 PolarHBondContact O-N 2.53Å; A507-W511 VanDerWaalsContact O-CB 3.28Å; A507-W511 WeakPolarHBondContact O-CB 3.48Å; A507-W511 PolarHBondContact O-N 2.72Å
508L83.3Confident79.7Confident43 Ų4320.9 Ų20.923%0.22510%0.104CC..Hα-helixtrans-59.9-48.5170.9179.260.3000111.4F387 M504 F505 I506 R510 W511 L512F387-L508 HydrophobicContact CD2-CB 3.79Å; F387-L508 HydrophobicContact CD2-CD1 4.43Å; F387-L508 HydrophobicContact CE1-CD1 4.47Å; F387-L508 HydrophobicContact CE2-CB 3.72Å; F387-L508 HydrophobicContact CE2-CD1 4.02Å; F387-L508 HydrophobicContact CE2-CD2 4.44Å; F387-L508 HydrophobicContact CE2-CG 4.27Å; F387-L508 HydrophobicContact CZ-CD1 4.03Å; M504-L508 WeakPolarHBondContact O-CB 3.13Å; M504-L508 PolarHBondContact O-N 3.17Å; F505-L508 WeakPolarHBondContact O-CB 3.35Å; F505-L508 PolarHBondContact O-N 2.95Å; I506-L508 VanDerWaalsContact C-N 3.28Å; I506-L508 PolarHBondContact O-N 3.42Å; L508-R510 PolarHBondContact O-N 3.41Å; L508-W511 HydrophobicContact CD1-CE3 3.89Å; L508-W511 HydrophobicContact CD1-CZ3 4.22Å; L508-W511 PolarHBondContact O-N 3.46Å; L508-L512 HydrophobicContact CD1-CD1 4.22Å; L508-L512 HydrophobicContact CD1-CG 4.26Å; L508-L512 HydrophobicContact CG-CD1 4.22Å; L508-L512 WeakPolarHBondContact O-CG 3.46Å; L508-L512 PolarHBondContact O-N 2.85Å
509G76.9Confident78.9Confident7 Ų725.6 Ų25.67%0.07212%0.124CC..Hα-helixtrans-57.7-46.3176.600000113F505 I506 L512 E513F505-G509 PolarHBondContact O-N 3.03Å; I506-G509 PolarHBondContact O-N 3.34Å; G509-L512 PolarHBondContact O-N 3.33Å; G509-E513 WeakPolarHBondContact O-CB 3.36Å; G509-E513 PolarHBondContact O-N 2.9Å
510R77.2Confident77.6Confident40 Ų4026 Ų2615%0.15113%0.126CC..Hα-helixtrans-64.3-38.6176-71.1-65-164.71761.5112.9W383 F446 D462 I506 A507 L508 E513 S514W383-R510 HydrophobicContact CD2-CB 3.68Å; W383-R510 HydrophobicContact CD2-CG 4.43Å; W383-R510 HydrophobicContact CE3-CB 3.76Å; W383-R510 HydrophobicContact CE3-CG 4.27Å; W383-R510 HydrophobicContact CG-CB 4.14Å; W383-R510 HydrophobicContact CH2-CB 4.3Å; W383-R510 HydrophobicContact CH2-CG 4Å; W383-R510 HydrophobicContact CZ2-CB 4.22Å; W383-R510 HydrophobicContact CZ2-CG 4.14Å; W383-R510 HydrophobicContact CZ3-CB 4.08Å; W383-R510 HydrophobicContact CZ3-CG 4.07Å; F446-R510 HydrophobicContact CZ-CG 4.47Å; D462-R510 IonicContact OD1-CZ 3.67Å; D462-R510 IonicContact OD1-NH2 3.95Å; D462-R510 PolarHBondContact OD1-NH2 2.86Å; I506-R510 WeakPolarHBondContact O-CG 3.34Å; I506-R510 PolarHBondContact O-N 3.34Å; A507-R510 PolarHBondContact O-N 2.53Å; L508-R510 PolarHBondContact O-N 3.41Å; R510-E513 VanDerWaalsContact CD-OE2 3.27Å; R510-E513 WeakPolarHBondContact CD-OE2 3.3Å; R510-E513 IonicContact CZ-OE2 3.75Å; R510-E513 IonicContact NH1-OE1 2.82Å; R510-E513 IonicContact NH1-OE2 3.91Å; R510-E513 PolarHBondContact NH1-OE2 3.07Å; R510-E513 VanDerWaalsContact NH1-OE2 3.11Å; R510-E513 WeakPolarHBondContact O-CB 3.44Å; R510-E513 PolarHBondContact O-N 2.91Å; R510-S514 PolarHBondContact O-N 2.88Å; R510-S514 PolarHBondContact O-OG 2.85Å
511W83.9Confident76.3Confident58 Ų5826.7 Ų26.722%0.2213%0.131CC..Hα-helixtrans-66.7-44.7177.5178.442.2000111.7W383 K384 F387 A507 L508 E513 S514 I515W383-W511 HydrophobicContact CB-CB 3.97Å; K384-W511 HydrophobicContact CG-CZ2 4.32Å; F387-W511 AromaticContact CD1-CE3 3.95Å; F387-W511 HydrophobicContact CD1-CE3 3.95Å; F387-W511 HydrophobicContact CD1-CZ3 4.09Å; F387-W511 HydrophobicContact CE1-CE3 4.3Å; F387-W511 HydrophobicContact CE1-CZ3 4.08Å; F387-W511 HydrophobicContact CG-CE3 4.45Å; A507-W511 VanDerWaalsContact O-CB 3.28Å; A507-W511 WeakPolarHBondContact O-CB 3.48Å; A507-W511 PolarHBondContact O-N 2.72Å; L508-W511 HydrophobicContact CD1-CE3 3.89Å; L508-W511 HydrophobicContact CD1-CZ3 4.22Å; L508-W511 PolarHBondContact O-N 3.46Å; W511-E513 VanDerWaalsContact C-N 3.32Å; W511-E513 PolarHBondContact O-N 3.34Å; W511-S514 PolarHBondContact O-N 2.79Å; W511-I515 HydrophobicContact CD2-CD1 4.06Å; W511-I515 HydrophobicContact CG-CD1 4.34Å; W511-I515 HydrophobicContact CZ2-CD1 3.83Å; W511-I515 WeakPolarHBondContact O-CG1 3.43Å; W511-I515 PolarHBondContact O-N 3.45Å
512L74.4Confident75.4Confident52 Ų5230.7 Ų30.727%0.27215%0.15SC..Hα-helixtrans-62.8-38.8174.1-68.2175.2000111.9L508 G509 I515 A516 V1158L508-L512 HydrophobicContact CD1-CD1 4.22Å; L508-L512 HydrophobicContact CD1-CG 4.26Å; L508-L512 HydrophobicContact CG-CD1 4.22Å; L508-L512 WeakPolarHBondContact O-CG 3.46Å; L508-L512 PolarHBondContact O-N 2.85Å; G509-L512 PolarHBondContact O-N 3.33Å; L512-I515 HydrophobicContact CD2-CD1 4.49Å; L512-I515 PolarHBondContact O-N 3.28Å; L512-A516 PolarHBondContact O-N 3.25Å; L512-V1158 HydrophobicContact CD1-CG2 3.77Å
513E71.5Confident74.3Confident21 Ų2131.6 Ų31.610%0.09816%0.155CC..Hα-helixtrans-54.9-50.9170.3156175.9-16600111.6G509 R510 W511 I515 A516 K517 L740G509-E513 WeakPolarHBondContact O-CB 3.36Å; G509-E513 PolarHBondContact O-N 2.9Å; R510-E513 VanDerWaalsContact CD-OE2 3.27Å; R510-E513 WeakPolarHBondContact CD-OE2 3.3Å; R510-E513 IonicContact CZ-OE2 3.75Å; R510-E513 IonicContact NH1-OE1 2.82Å; R510-E513 IonicContact NH1-OE2 3.91Å; R510-E513 PolarHBondContact NH1-OE2 3.07Å; R510-E513 VanDerWaalsContact NH1-OE2 3.11Å; R510-E513 WeakPolarHBondContact O-CB 3.44Å; R510-E513 PolarHBondContact O-N 2.91Å; W511-E513 VanDerWaalsContact C-N 3.32Å; W511-E513 PolarHBondContact O-N 3.34Å; E513-I515 VanDerWaalsContact C-N 3.34Å; E513-I515 PolarHBondContact O-N 3.3Å; E513-A516 PolarHBondContact O-N 3.02Å; E513-K517 HydrophobicContact CG-CD 4.37Å; E513-K517 PolarHBondContact O-N 2.82Å; E513-K517 VanDerWaalsContact O-N 3.16Å; E513-K517 IonicContact OE1-NZ 2.72Å; E513-K517 PolarHBondContact OE1-NZ 3.09Å; E513-L740 HydrophobicContact CB-CD1 3.79Å; E513-L740 HydrophobicContact CB-CD2 3.88Å; E513-L740 HydrophobicContact CB-CG 4.45Å; E513-L740 HydrophobicContact CG-CD1 4.11Å; E513-L740 HydrophobicContact CG-CD2 3.36Å; E513-L740 HydrophobicContact CG-CG 4.26Å; E513-L740 WeakPolarHBondContact OE1-CD2 3.45Å
514S75.5Confident73.1Confident3 Ų331.8 Ų31.82%0.02116%0.156CC..Hα-helixtrans-67-33.3179.9-68.50000112.5R510 W511 K517 G518R510-S514 PolarHBondContact O-N 2.88Å; R510-S514 PolarHBondContact O-OG 2.85Å; W511-S514 PolarHBondContact O-N 2.79Å; S514-K517 PolarHBondContact O-N 3.38Å; S514-G518 PolarHBondContact O-N 3.17Å
515I75.5Confident72Confident46 Ų4633.5 Ų33.524%0.23617%0.173CC..Hα-helixtrans-64.6-42.8173.8-71.5168.1000110.9I380 W511 L512 E513 K517 G518 K519I380-I515 HydrophobicContact CG2-CG1 4.18Å; W511-I515 HydrophobicContact CD2-CD1 4.06Å; W511-I515 HydrophobicContact CG-CD1 4.34Å; W511-I515 HydrophobicContact CZ2-CD1 3.83Å; W511-I515 WeakPolarHBondContact O-CG1 3.43Å; W511-I515 PolarHBondContact O-N 3.45Å; L512-I515 HydrophobicContact CD2-CD1 4.49Å; L512-I515 PolarHBondContact O-N 3.28Å; E513-I515 VanDerWaalsContact C-N 3.34Å; E513-I515 PolarHBondContact O-N 3.3Å; I515-K517 VanDerWaalsContact C-N 3.28Å; I515-K517 PolarHBondContact O-N 3.07Å; I515-G518 PolarHBondContact O-N 2.97Å; I515-K519 HydrophobicContact CG2-CG 4.46Å; I515-K519 PolarHBondContact O-N 3.3Å
516A65.3Low71.3Confident6 Ų636.6 Ų36.65%0.0519%0.187CC..Hα-helixtrans-60.1-40.7177.400000111.4L512 E513 T520 V1161L512-A516 PolarHBondContact O-N 3.25Å; E513-A516 PolarHBondContact O-N 3.02Å; A516-T520 PolarHBondContact O-OG1 2.58Å; A516-V1161 HydrophobicContact CB-CG1 3.79Å; A516-V1161 HydrophobicContact CB-CG2 4.23Å
517K67.2Low70.5Confident44 Ų4437 Ų3719%0.19119%0.189CC..Hα-helixtrans-66.6-37.2172.7-68.4170.7173.81720113.8Y376 E513 S514 I515 T520 S521 M747Y376-K517 HydrophobicContact CD1-CB 4.26Å; Y376-K517 HydrophobicContact CD2-CB 4.39Å; Y376-K517 HydrophobicContact CE1-CB 4.35Å; Y376-K517 HydrophobicContact CE2-CB 4.46Å; Y376-K517 HydrophobicContact CG-CB 4.29Å; E513-K517 HydrophobicContact CG-CD 4.37Å; E513-K517 PolarHBondContact O-N 2.82Å; E513-K517 VanDerWaalsContact O-N 3.16Å; E513-K517 IonicContact OE1-NZ 2.72Å; E513-K517 PolarHBondContact OE1-NZ 3.09Å; S514-K517 PolarHBondContact O-N 3.38Å; I515-K517 VanDerWaalsContact C-N 3.28Å; I515-K517 PolarHBondContact O-N 3.07Å; K517-T520 PolarHBondContact O-OG1 2.8Å; K517-S521 PolarHBondContact O-N 3.48Å; K517-M747 VanDerWaalsContact CA-CE 3.41Å; K517-M747 HydrophobicContact CB-CE 4.09Å; K517-M747 HydrophobicContact CB-SD 4.15Å; K517-M747 HydrophobicContact CG-CE 3.74Å; K517-M747 HydrophobicContact CG-SD 3.95Å
518G68.3Low69.8Low14 Ų1438.3 Ų38.314%0.14420%0.197CC..Hα-helixtrans-68.7-36.9175.100000113.9S514 I515 T520 S521 E522S514-G518 PolarHBondContact O-N 3.17Å; I515-G518 PolarHBondContact O-N 2.97Å; G518-T520 PolarHBondContact O-N 2.94Å; G518-S521 WeakPolarHBondContact CA-OG 3.14Å; G518-S521 PolarHBondContact O-N 2.8Å; G518-S521 PolarHBondContact O-OG 2.88Å; G518-E522 PolarHBondContact O-N 3.46Å
519K67.4Low69.3Low105 Ų10539.5 Ų39.546%0.45721%0.209SC..Hα-helixtrans-71.2-16.9-179.7-78.9-166.3176-172.80114.3I515 K1168I515-K519 HydrophobicContact CG2-CG 4.46Å; I515-K519 PolarHBondContact O-N 3.3Å; K519-K1168 PolarHBondContact O-NZ 3.1Å
520T59.5Low69.3Low8 Ų840 Ų405%0.04921%0.21CC..Hα-helixtrans-92.5-36.6173.147.90000110.7A516 K517 G518 E522 V523 M747 V748A516-T520 PolarHBondContact O-OG1 2.58Å; K517-T520 PolarHBondContact O-OG1 2.8Å; G518-T520 PolarHBondContact O-N 2.94Å; T520-E522 PolarHBondContact O-N 2.79Å; T520-V523 WeakPolarHBondContact O-CB 3.43Å; T520-V523 PolarHBondContact O-N 3.14Å; T520-V523 VanDerWaalsContact O-N 3.09Å; T520-M747 HydrophobicContact CG2-CE 3.71Å; T520-M747 HydrophobicContact CG2-CG 3.91Å; T520-M747 HydrophobicContact CG2-SD 4.36Å; T520-M747 WeakPolarHBondContact OG1-CE 3.39Å; T520-M747 VanDerWaalsContact OG1-CG 3.23Å; T520-M747 WeakPolarHBondContact OG1-CG 3.49Å; T520-M747 PolarHBondContact OG1-SD 2.95Å; T520-V748 HydrophobicContact CG2-CB 4.28Å; T520-V748 HydrophobicContact CG2-CG2 3.5Å
521S62.6Low69.4Low14 Ų1441.7 Ų41.710%0.09822%0.219CC..Hα-helixtrans-64.4-23.717170.10000112.4K517 G518 V523 L524 A525K517-S521 PolarHBondContact O-N 3.48Å; G518-S521 WeakPolarHBondContact CA-OG 3.14Å; G518-S521 PolarHBondContact O-N 2.8Å; G518-S521 PolarHBondContact O-OG 2.88Å; S521-V523 PolarHBondContact O-N 3.23Å; S521-L524 WeakPolarHBondContact O-CB 3.46Å; S521-L524 PolarHBondContact O-N 2.62Å; S521-L524 VanDerWaalsContact O-N 3.13Å; S521-A525 WeakPolarHBondContact O-CB 3.36Å; S521-A525 PolarHBondContact O-N 2.97Å
522E65.2Low69.3Low92 Ų9239.6 Ų39.643%0.4321%0.214SC..Hα-helixtrans-57.7-35.8171.4-166.3-165.4145.400112.2G518 T520 A525 K526G518-E522 PolarHBondContact O-N 3.46Å; T520-E522 PolarHBondContact O-N 2.79Å; E522-A525 PolarHBondContact O-N 2.87Å; E522-K526 VanDerWaalsContact O-CG 3.32Å; E522-K526 WeakPolarHBondContact O-CG 3.25Å; E522-K526 PolarHBondContact O-N 2.66Å; E522-K526 WeakPolarHBondContact OE1-CE 3.35Å; E522-K526 IonicContact OE1-NZ 3.21Å; E522-K526 PolarHBondContact OE1-NZ 3.16Å
523V61.8Low69.7Low23 Ų2345.1 Ų45.114%0.13924%0.236CC..Hα-helixtrans-67-40.9176.5-179.40000110.3T520 S521 K526 L527 M755T520-V523 WeakPolarHBondContact O-CB 3.43Å; T520-V523 PolarHBondContact O-N 3.14Å; T520-V523 VanDerWaalsContact O-N 3.09Å; S521-V523 PolarHBondContact O-N 3.23Å; V523-K526 WeakPolarHBondContact O-CB 3.39Å; V523-K526 PolarHBondContact O-N 2.88Å; V523-L527 PolarHBondContact O-N 3.3Å; V523-M755 HydrophobicContact CG1-CG 3.75Å; V523-M755 HydrophobicContact CG1-SD 4.01Å; V523-M755 HydrophobicContact CG2-SD 4.32Å
524L62.6Low70.5Confident7 Ų749 Ų494%0.03726%0.258CS..Hα-helixtrans-67.5-42.6175.5-173.761.6000111.7L374 S521 K526 L527 V528 V632 V635 E636L374-L524 HydrophobicContact CD1-CD2 4.48Å; L374-L524 HydrophobicContact CD2-CD2 3.95Å; S521-L524 WeakPolarHBondContact O-CB 3.46Å; S521-L524 PolarHBondContact O-N 2.62Å; S521-L524 VanDerWaalsContact O-N 3.13Å; L524-K526 PolarHBondContact O-N 2.89Å; L524-L527 WeakPolarHBondContact O-CB 3.34Å; L524-L527 PolarHBondContact O-N 3.1Å; L524-L527 VanDerWaalsContact O-N 3.09Å; L524-V528 PolarHBondContact O-N 2.94Å; L524-V632 HydrophobicContact CD1-CG1 4.4Å; L524-V635 HydrophobicContact CD1-CB 4.09Å; L524-V635 HydrophobicContact CD1-CG1 3.77Å; L524-V635 HydrophobicContact CD2-CG1 4.5Å; L524-E636 HydrophobicContact CD2-CG 4.4Å
525A64.6Low71.3Confident54 Ų5449 Ų4945%0.44626%0.258SS..Hα-helixtrans-61.2-35.1175.400000111.7S521 E522 V528 S529S521-A525 WeakPolarHBondContact O-CB 3.36Å; S521-A525 PolarHBondContact O-N 2.97Å; E522-A525 PolarHBondContact O-N 2.87Å; A525-V528 PolarHBondContact O-N 2.9Å; A525-S529 WeakPolarHBondContact O-CB 3.27Å; A525-S529 PolarHBondContact O-N 3.42Å
526K67.5Low72.1Confident114 Ų11449.5 Ų49.550%0.49626%0.26SS..Hα-helixtrans-63.6-43.6172.1-77.9173.1-174.3169.20111.9E522 V523 L524 S529 L530E522-K526 VanDerWaalsContact O-CG 3.32Å; E522-K526 WeakPolarHBondContact O-CG 3.25Å; E522-K526 PolarHBondContact O-N 2.66Å; E522-K526 WeakPolarHBondContact OE1-CE 3.35Å; E522-K526 IonicContact OE1-NZ 3.21Å; E522-K526 PolarHBondContact OE1-NZ 3.16Å; V523-K526 WeakPolarHBondContact O-CB 3.39Å; V523-K526 PolarHBondContact O-N 2.88Å; L524-K526 PolarHBondContact O-N 2.89Å; K526-S529 PolarHBondContact O-N 3.27Å; K526-S529 PolarHBondContact O-OG 2.75Å; K526-L530 PolarHBondContact O-N 3.22Å
527L66.3Low73.4Confident25 Ų2550.1 Ų50.113%0.13126%0.263CS..Hα-helixtrans-61-46.9175.5-69.8171.7000111.8V523 L524 S529 L530 I631V523-L527 PolarHBondContact O-N 3.3Å; L524-L527 WeakPolarHBondContact O-CB 3.34Å; L524-L527 PolarHBondContact O-N 3.1Å; L524-L527 VanDerWaalsContact O-N 3.09Å; L527-S529 VanDerWaalsContact C-N 3.26Å; L527-S529 PolarHBondContact O-N 3.49Å; L527-L530 HydrophobicContact CD2-CD1 4.25Å; L527-L530 VanDerWaalsContact O-CB 3.31Å; L527-L530 WeakPolarHBondContact O-CB 3.25Å; L527-L530 PolarHBondContact O-N 3.33Å; L527-L530 VanDerWaalsContact O-N 3.08Å; L527-I631 HydrophobicContact CD1-CG2 4.47Å
528V68.9Low74.5Confident28 Ų2848.2 Ų48.217%0.1726%0.255CS..Hα-helixtrans-62.9-35.4176.9177.90000111.2T371 L374 L524 A525 L530 Q531 V632T371-V528 HydrophobicContact CG2-CG1 3.91Å; L374-V528 HydrophobicContact CD1-CG2 4.47Å; L524-V528 PolarHBondContact O-N 2.94Å; A525-V528 PolarHBondContact O-N 2.9Å; V528-L530 PolarHBondContact O-N 3.25Å; V528-Q531 WeakPolarHBondContact O-CB 2.79Å; V528-Q531 PolarHBondContact O-N 3.09Å; V528-Q531 VanDerWaalsContact O-N 3.12Å; V528-V632 HydrophobicContact CG2-CG1 4.09Å; V528-V632 HydrophobicContact CG2-CG2 3.89Å
529S74.2Confident75.4Confident69 Ų6953.2 Ų53.248%0.48328%0.275SS..Hα-helixtrans-66.1-16.217780.80000114.1A525 K526 L527 Q531 K570A525-S529 WeakPolarHBondContact O-CB 3.27Å; A525-S529 PolarHBondContact O-N 3.42Å; K526-S529 PolarHBondContact O-N 3.27Å; K526-S529 PolarHBondContact O-OG 2.75Å; L527-S529 VanDerWaalsContact C-N 3.26Å; L527-S529 PolarHBondContact O-N 3.49Å; S529-Q531 VanDerWaalsContact C-N 3.28Å; S529-K570 PolarHBondContact O-NZ 3.26Å
530L75.3Confident76.1Confident18 Ų1850.5 Ų50.59%0.09427%0.265CS..THydrogen-bonded Turntrans-73.4-22.1174.9-63.9170.1000112.1K526 L527 V528 K570 F588 G607 L628K526-L530 PolarHBondContact O-N 3.22Å; L527-L530 HydrophobicContact CD2-CD1 4.25Å; L527-L530 VanDerWaalsContact O-CB 3.31Å; L527-L530 WeakPolarHBondContact O-CB 3.25Å; L527-L530 PolarHBondContact O-N 3.33Å; L527-L530 VanDerWaalsContact O-N 3.08Å; V528-L530 PolarHBondContact O-N 3.25Å; L530-K570 WeakPolarHBondContact O-CD 3.44Å; L530-F588 HydrophobicContact CD1-CB 3.63Å; L530-F588 HydrophobicContact CD1-CG 4.29Å; L530-F588 HydrophobicContact CD2-CB 4.29Å; L530-F588 HydrophobicContact CD2-CD2 4.36Å; L530-F588 HydrophobicContact CD2-CG 4.19Å; L530-G607 VanDerWaalsContact O-CA 3.32Å; L530-G607 WeakPolarHBondContact O-CA 3.47Å; L530-L628 HydrophobicContact CB-CD2 4.22Å
531Q79.1Confident77.1Confident74 Ų7451 Ų5135%0.34627%0.271SS..SBendtrans-62.3137.2176.4-166.8173.5-8.500110.6V528 S529 L554 L628V528-Q531 WeakPolarHBondContact O-CB 2.79Å; V528-Q531 PolarHBondContact O-N 3.09Å; V528-Q531 VanDerWaalsContact O-N 3.12Å; S529-Q531 VanDerWaalsContact C-N 3.28Å; Q531-L554 HydrophobicContact CG-CD2 3.51Å; Q531-L628 HydrophobicContact CB-CD2 3.95Å
532A83.7Confident77.8Confident14 Ų1456.7 Ų56.712%0.11631%0.311CS..  trans-71.2149.1172.900000110.2L554 K570 P572A532-L554 WeakPolarHBondContact O-CD2 3.47Å; A532-K570 HydrophobicContact CB-CB 4.3Å; A532-P572 HydrophobicContact CB-CB 4.01Å
533K82.3Confident78.2Confident168 Ų16862 Ų6273%0.7333%0.327SS*.SBendtrans-85.5-42.1173.4-65.5-169.5174.9-162.70111.9L554K533-L554 WeakPolarHBondContact O-CB 3.35Å; K533-L554 PolarHBondContact O-N 3.16Å; K533-L554 VanDerWaalsContact O-N 3.09Å
534N88.3Confident78.5Confident104 Ų10465.6 Ų65.656%0.55635%0.346SS*.EExtended strand (participates in β ladder)trans-123.1154.9-177.2-56.6-19.7000109.8I552N534-I552 CarbonylContact C-O 3.59Å; N534-I552 VanDerWaalsContact CA-O 3.29Å; N534-I552 WeakPolarHBondContact CA-O 3.26Å
535A91.2Very high79.2Confident3 Ų371 Ų713%0.02537%0.371CS..EExtended strand (participates in β ladder)trans-121.3148170.300000110.1S551 I552 V557 L563 P572A535-S551 WeakPolarHBondContact O-CA 3.35Å; A535-I552 HydrophobicContact CB-CG1 4.46Å; A535-I552 PolarHBondContact N-O 3.15Å; A535-I552 PolarHBondContact O-N 3.5Å; A535-V557 HydrophobicContact CB-CG2 3.59Å; A535-L563 HydrophobicContact CB-CD1 4.35Å; A535-L563 HydrophobicContact CB-CD2 4.18Å; A535-P572 HydrophobicContact CB-CB 3.77Å; A535-P572 HydrophobicContact CB-CG 3.89Å
536I93.1Very high79.9Confident55 Ų5571.4 Ų71.428%0.28237%0.368SS..EExtended strand (participates in β ladder)trans-99107.1173.1-56.9171.6000106.9E549 T550 L563 K564I536-E549 HydrophobicContact CG2-CB 4.22Å; I536-T550 CarbonylContact C-O 3.58Å; I536-T550 WeakPolarHBondContact CA-O 3.44Å; I536-L563 CarbonylContact O-C 3.54Å; I536-L563 WeakPolarHBondContact O-CA 3.42Å; I536-K564 HydrophobicContact CB-CB 4.49Å; I536-K564 HydrophobicContact CG2-CB 4.24Å; I536-K564 PolarHBondContact O-N 3.3Å
537I91.7Very high80.6Confident19 Ų1971.6 Ų71.610%0.09737%0.373CS..EExtended strand (participates in β ladder)trans-85.7143.7174.3-168.7172.7000110.3E549 T550 I552 D561 V562 L563I537-E549 WeakPolarHBondContact O-CA 3.42Å; I537-T550 WeakPolarHBondContact CG2-O 3.32Å; I537-T550 WeakPolarHBondContact CG2-OG1 3.23Å; I537-T550 PolarHBondContact N-O 3.49Å; I537-T550 PolarHBondContact O-N 3Å; I537-I552 HydrophobicContact CB-CD1 4.06Å; I537-I552 HydrophobicContact CB-CG1 4.45Å; I537-I552 HydrophobicContact CD1-CD1 4.42Å; I537-I552 HydrophobicContact CG2-CD1 4.04Å; I537-I552 HydrophobicContact CG2-CG1 4.27Å; I537-I552 HydrophobicContact CG2-CG2 4.26Å; I537-D561 HydrophobicContact CD1-CB 3.83Å; I537-D561 VanDerWaalsContact CD1-CG 3.44Å; I537-D561 WeakPolarHBondContact CD1-OD1 3.26Å; I537-D561 HydrophobicContact CG1-CB 4.33Å; I537-V562 WeakPolarHBondContact CA-O 3.49Å; I537-V562 WeakPolarHBondContact CG1-O 3.45Å; I537-L563 HydrophobicContact CB-CD2 4.03Å; I537-L563 HydrophobicContact CG1-CD2 4.22Å
538V91.3Very high81.5Confident5 Ų572.1 Ų72.13%0.0338%0.379CS..EExtended strand (participates in β ladder)trans-125.4128.9-178.6174.50000110.4L540 V546 S548 E549 V562 K564 L616V538-L540 HydrophobicContact CG1-CD2 3.98Å; V538-L540 HydrophobicContact CG1-CG 4.41Å; V538-V546 HydrophobicContact CG1-CB 4.02Å; V538-V546 HydrophobicContact CG1-CG1 3.52Å; V538-V546 HydrophobicContact CG1-CG2 3.76Å; V538-S548 WeakPolarHBondContact CA-O 3.35Å; V538-E549 HydrophobicContact CG2-CG 4.14Å; V538-V562 PolarHBondContact N-O 3.19Å; V538-K564 HydrophobicContact CG2-CB 3.48Å; V538-K564 VanDerWaalsContact CG2-CB 3.48Å; V538-K564 HydrophobicContact CG2-CD 4.3Å; V538-L616 HydrophobicContact CG2-CD2 4.28Å
539E86.6Confident82.5Confident119 Ų11975.2 Ų75.256%0.55639%0.392SS*.EExtended strand (participates in β ladder)trans-88.3120.3168.1-66.8177.315900109.3L547 S548E539-L547 HydrophobicContact CB-CB 4.3Å; E539-L547 WeakPolarHBondContact O-CB 3.44Å; E539-L547 PolarHBondContact O-N 3.44Å; E539-S548 WeakPolarHBondContact CB-OG 3.44Å; E539-S548 VanDerWaalsContact CD-OG 3.23Å; E539-S548 WeakPolarHBondContact CG-OG 3.18Å; E539-S548 PolarHBondContact N-O 3.08Å; E539-S548 PolarHBondContact OE2-OG 2.84Å
540L83.3Confident83.1Confident48 Ų4875.4 Ų75.425%0.25139%0.39SS..EExtended strand (participates in β ladder)trans-94.7131.7178.6-67.2177.1000111.2V538 E545 V546 V562 L616V538-L540 HydrophobicContact CG1-CD2 3.98Å; V538-L540 HydrophobicContact CG1-CG 4.41Å; L540-E545 WeakPolarHBondContact CA-O 3.47Å; L540-V546 HydrophobicContact CD2-CG2 4.26Å; L540-V562 HydrophobicContact CD1-CB 4.42Å; L540-V562 HydrophobicContact CD1-CG1 3.89Å; L540-V562 HydrophobicContact CD1-CG2 4.1Å; L540-V562 HydrophobicContact CG-CG1 4.24Å; L540-L616 HydrophobicContact CD2-CD1 4.11Å
541G79.6Confident83.8Confident18 Ų1879.1 Ų79.119%0.18642%0.418CS..  trans-74.9174.816800000112.6R543 N544 E545G541-R543 PolarHBondContact O-N 3.15Å; G541-N544 PolarHBondContact O-N 3.07Å; G541-E545 PolarHBondContact N-O 3.03Å
542S78.1Confident84.1Confident133 Ų13376.9 Ų76.993%0.9341%0.407SS*.THydrogen-bonded Turntrans-59.7-15.4-176.756.80000115.5
543R71.9Confident84.1Confident205 Ų20579.2 Ų79.277%0.77442%0.418SS*.THydrogen-bonded Turntrans-11120.5177.1-66.2-176.9175173.9-1.1113.6G541 E545G541-R543 PolarHBondContact O-N 3.15Å; R543-E545 HydrophobicContact CB-CG 4.34Å; R543-E545 PolarHBondContact O-N 2.9Å
544N69.3Low84.1Confident98 Ų9871.7 Ų71.752%0.52439%0.386SS..SBendtrans5924.9-171.5-64.7-15000113.8G541G541-N544 PolarHBondContact O-N 3.07Å
545E77Confident83.7Confident120 Ų12072.3 Ų72.356%0.56139%0.385SS*.  trans-77.5133.7170.5-68.6174.9-167.500109.2L540 G541 R543 L547L540-E545 WeakPolarHBondContact CA-O 3.47Å; G541-E545 PolarHBondContact N-O 3.03Å; R543-E545 HydrophobicContact CB-CG 4.34Å; R543-E545 PolarHBondContact O-N 2.9Å; E545-L547 PolarHBondContact O-N 3.29Å
546V79.7Confident83.2Confident63 Ų6373 Ų7338%0.38239%0.389SS..EExtended strand (participates in β ladder)trans-73.5109.9177.81740000109V538 L540 E549V538-V546 HydrophobicContact CG1-CB 4.02Å; V538-V546 HydrophobicContact CG1-CG1 3.52Å; V538-V546 HydrophobicContact CG1-CG2 3.76Å; L540-V546 HydrophobicContact CD2-CG2 4.26Å; V546-E549 HydrophobicContact CG1-CG 3.62Å
547L81.8Confident82.9Confident118 Ų11870.5 Ų70.562%0.61838%0.376SS*.EExtended strand (participates in β ladder)trans-81.3-40.9-179.4-64175.1000112E539 E545E539-L547 HydrophobicContact CB-CB 4.3Å; E539-L547 WeakPolarHBondContact O-CB 3.44Å; E539-L547 PolarHBondContact O-N 3.44Å; E545-L547 PolarHBondContact O-N 3.29Å
548S84.8Confident82.5Confident36 Ų3671.8 Ų71.825%0.25238%0.382SS..EExtended strand (participates in β ladder)trans-151.7151-179730000110.7V538 E539V538-S548 WeakPolarHBondContact CA-O 3.35Å; E539-S548 WeakPolarHBondContact CB-OG 3.44Å; E539-S548 VanDerWaalsContact CD-OG 3.23Å; E539-S548 WeakPolarHBondContact CG-OG 3.18Å; E539-S548 PolarHBondContact N-O 3.08Å; E539-S548 PolarHBondContact OE2-OG 2.84Å
549E90.1Very high82.3Confident93 Ų9378.6 Ų78.644%0.43541%0.407SS..EExtended strand (participates in β ladder)trans-126.3123.2172.6-54.6-170.3176.400108I536 I537 V538 V546 K564I536-E549 HydrophobicContact CG2-CB 4.22Å; I537-E549 WeakPolarHBondContact O-CA 3.42Å; V538-E549 HydrophobicContact CG2-CG 4.14Å; V546-E549 HydrophobicContact CG1-CG 3.62Å; E549-K564 WeakPolarHBondContact OE1-CD 3.3Å; E549-K564 IonicContact OE1-NZ 3.95Å; E549-K564 PolarHBondContact OE1-NZ 3.42Å; E549-K564 IonicContact OE2-NZ 3.58Å; E549-K564 PolarHBondContact OE2-NZ 2.74Å
550T87.3Confident82.2Confident73 Ų7374.7 Ų74.745%0.44840%0.399SS..EExtended strand (participates in β ladder)trans-129.1138.2175.954.90000110.8I536 I537I536-T550 CarbonylContact C-O 3.58Å; I536-T550 WeakPolarHBondContact CA-O 3.44Å; I537-T550 WeakPolarHBondContact CG2-O 3.32Å; I537-T550 WeakPolarHBondContact CG2-OG1 3.23Å; I537-T550 PolarHBondContact N-O 3.49Å; I537-T550 PolarHBondContact O-N 3Å
551S88.6Confident82.5Confident96 Ų9673.3 Ų73.367%0.67139%0.391SS*.EExtended strand (participates in β ladder)trans-88121.1174.660.20000109.7A535A535-S551 WeakPolarHBondContact O-CA 3.35Å
552I85.9Confident83.2Confident26 Ų2673.5 Ų73.513%0.13339%0.389CS..EExtended strand (participates in β ladder)trans-122.1156.4179.157.8171.1000110.5N534 A535 I537 V557N534-I552 CarbonylContact C-O 3.59Å; N534-I552 VanDerWaalsContact CA-O 3.29Å; N534-I552 WeakPolarHBondContact CA-O 3.26Å; A535-I552 HydrophobicContact CB-CG1 4.46Å; A535-I552 PolarHBondContact N-O 3.15Å; A535-I552 PolarHBondContact O-N 3.5Å; I537-I552 HydrophobicContact CB-CD1 4.06Å; I537-I552 HydrophobicContact CB-CG1 4.45Å; I537-I552 HydrophobicContact CD1-CD1 4.42Å; I537-I552 HydrophobicContact CG2-CD1 4.04Å; I537-I552 HydrophobicContact CG2-CG1 4.27Å; I537-I552 HydrophobicContact CG2-CG2 4.26Å; I552-V557 HydrophobicContact CD1-CG2 3.94Å; I552-V557 HydrophobicContact CG1-CG2 4.32Å
553D83.8Confident83.9Confident63 Ų6367.2 Ų67.234%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-65.1146.2171.7-159.2-36.4000110.2L364 E555 L556L364-D553 HydrophobicContact CD1-CB 4.07Å; D553-E555 PolarHBondContact O-N 3.22Å; D553-L556 HydrophobicContact CB-CD1 4.3Å; D553-L556 HydrophobicContact CB-CG 4.36Å; D553-L556 WeakPolarHBondContact O-CB 3.11Å; D553-L556 PolarHBondContact O-N 2.98Å
554L83.7Confident85Confident11 Ų1159.4 Ų59.46%0.05832%0.317CS..G310 helixtrans-59.1-33-178.7-173.366.2000112.5Q531 A532 K533 L556 V557 P572 V573Q531-L554 HydrophobicContact CG-CD2 3.51Å; A532-L554 WeakPolarHBondContact O-CD2 3.47Å; K533-L554 WeakPolarHBondContact O-CB 3.35Å; K533-L554 PolarHBondContact O-N 3.16Å; K533-L554 VanDerWaalsContact O-N 3.09Å; L554-L556 PolarHBondContact O-N 3.43Å; L554-V557 HydrophobicContact CD1-CG2 4.24Å; L554-V557 WeakPolarHBondContact O-CB 3.33Å; L554-V557 PolarHBondContact O-N 2.71Å; L554-P572 HydrophobicContact CD1-CB 3.6Å; L554-P572 WeakPolarHBondContact CD1-O 3.41Å; L554-V573 HydrophobicContact CD1-CG1 3.49Å; L554-V573 VanDerWaalsContact CD1-CG1 3.49Å; L554-V573 HydrophobicContact CG-CG1 4.49Å
555E78Confident86.2Confident116 Ų11654.9 Ų54.954%0.54229%0.293SS..G310 helixtrans-67.1-19.1178.2-65.5-166.1165.200113.3L364 D553L364-E555 HydrophobicContact CD1-CB 4.02Å; D553-E555 PolarHBondContact O-N 3.22Å
556L81.7Confident86.9Confident18 Ų1851.6 Ų51.69%0.09428%0.281CS..G310 helixtrans-88.9-10.5178.6-60.4177.1000113.6A348 R349 M352 L364 D553 L554A348-L556 HydrophobicContact CB-CD2 4.03Å; R349-L556 HydrophobicContact CG-CB 4.06Å; M352-L556 HydrophobicContact CE-CD1 4.41Å; M352-L556 HydrophobicContact SD-CD1 3.93Å; M352-L556 HydrophobicContact SD-CD2 3.59Å; M352-L556 VanDerWaalsContact SD-CD2 3.59Å; M352-L556 HydrophobicContact SD-CG 4.43Å; L364-L556 HydrophobicContact CD1-CD1 4.11Å; L364-L556 HydrophobicContact CD1-CD2 3.67Å; L364-L556 HydrophobicContact CD1-CG 3.62Å; L364-L556 HydrophobicContact CD2-CD2 4.19Å; L364-L556 HydrophobicContact CG-CD2 4.12Å; L364-L556 HydrophobicContact CG-CG 4.5Å; D553-L556 HydrophobicContact CB-CD1 4.3Å; D553-L556 HydrophobicContact CB-CG 4.36Å; D553-L556 WeakPolarHBondContact O-CB 3.11Å; D553-L556 PolarHBondContact O-N 2.98Å; L554-L556 PolarHBondContact O-N 3.43Å
557V86Confident87.5Confident3 Ų351.6 Ų51.62%0.01828%0.282CS..  trans-69.8133.8-179.7-178.90000110.6A535 I552 L554 D561 L563 V573 A619 V622A535-V557 HydrophobicContact CB-CG2 3.59Å; I552-V557 HydrophobicContact CD1-CG2 3.94Å; I552-V557 HydrophobicContact CG1-CG2 4.32Å; L554-V557 HydrophobicContact CD1-CG2 4.24Å; L554-V557 WeakPolarHBondContact O-CB 3.33Å; L554-V557 PolarHBondContact O-N 2.71Å; V557-D561 HydrophobicContact CG1-CB 4.44Å; V557-L563 HydrophobicContact CG1-CD1 3.87Å; V557-L563 HydrophobicContact CG1-CD2 4.3Å; V557-V573 HydrophobicContact CB-CG1 4.5Å; V557-V573 HydrophobicContact CG1-CG1 4.12Å; V557-V573 HydrophobicContact CG1-CG2 4.22Å; V557-A619 HydrophobicContact CG1-CB 4.23Å; V557-V622 HydrophobicContact CG1-CG1 3.95Å
558Q84.7Confident87.8Confident46 Ų4648.8 Ų48.822%0.21528%0.281CS..  trans-117.5160.4-177.9-69163.918.600111.6S347 R349 G560 D561 A619S347-Q558 PolarHBondContact OG-NE2 2.95Å; R349-Q558 VanDerWaalsContact NH2-CD 3.34Å; Q558-G560 PolarHBondContact O-N 2.8Å; Q558-D561 PolarHBondContact N-OD2 3.49Å; Q558-D561 WeakPolarHBondContact O-CB 3.48Å; Q558-D561 PolarHBondContact O-N 3.09Å; Q558-A619 WeakPolarHBondContact O-CB 3.44Å
559R85.9Confident88Confident147 Ų14748.6 Ų48.656%0.55528%0.282SS*.THydrogen-bonded Turntrans-64.4134.6174.7-59.6-173.3-177.1-166.9-0.3108.9A619 T620 V622 D625R559-A619 WeakPolarHBondContact CA-O 3.23Å; R559-T620 WeakPolarHBondContact CD-O 3.36Å; R559-T620 WeakPolarHBondContact CG-O 3.26Å; R559-V622 HydrophobicContact CG-CG1 4.43Å; R559-V622 HydrophobicContact CG-CG2 3.91Å; R559-D625 IonicContact CZ-OD2 3.87Å; R559-D625 IonicContact NH2-OD2 3.85Å; R559-D625 PolarHBondContact NH2-OD2 3.45Å
560G85.4Confident88.1Confident38 Ų3847.9 Ų47.939%0.39228%0.277SS..THydrogen-bonded Turntrans88.2-7.7-174.800000114.8Q558 V562 A619Q558-G560 PolarHBondContact O-N 2.8Å; G560-V562 PolarHBondContact O-N 3.34Å; G560-A619 PolarHBondContact N-O 3.34Å
561D89.9Confident88.3Confident18 Ų1844.4 Ų44.410%0.09626%0.256CS..  trans-64.3134172.4-76.8-22.3000110.1R349 I537 V557 Q558 L563 A619R349-D561 IonicContact CZ-OD1 3.95Å; R349-D561 IonicContact CZ-OD2 3.7Å; R349-D561 IonicContact NH1-OD1 3.61Å; R349-D561 PolarHBondContact NH1-OD1 2.84Å; R349-D561 VanDerWaalsContact NH1-OD1 3.14Å; R349-D561 IonicContact NH1-OD2 3.98Å; R349-D561 PolarHBondContact NH1-OD2 2.81Å; R349-D561 IonicContact NH2-OD1 2.8Å; R349-D561 PolarHBondContact NH2-OD1 2.77Å; R349-D561 IonicContact NH2-OD2 2.74Å; R349-D561 PolarHBondContact NH2-OD2 2.75Å; I537-D561 HydrophobicContact CD1-CB 3.83Å; I537-D561 VanDerWaalsContact CD1-CG 3.44Å; I537-D561 WeakPolarHBondContact CD1-OD1 3.26Å; I537-D561 HydrophobicContact CG1-CB 4.33Å; V557-D561 HydrophobicContact CG1-CB 4.44Å; Q558-D561 PolarHBondContact N-OD2 3.49Å; Q558-D561 WeakPolarHBondContact O-CB 3.48Å; Q558-D561 PolarHBondContact O-N 3.09Å; D561-L563 HydrophobicContact CB-CD2 4.11Å; D561-A619 HydrophobicContact CB-CB 4.42Å; D561-A619 WeakPolarHBondContact O-CB 3.43Å; D561-A619 PolarHBondContact O-N 3.13Å
562V93Very high88.5Confident23 Ų2340.3 Ų40.314%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-89.4119.3173.8-177.60000108.6I537 V538 L540 G560 I578 L616 I617I537-V562 WeakPolarHBondContact CA-O 3.49Å; I537-V562 WeakPolarHBondContact CG1-O 3.45Å; V538-V562 PolarHBondContact N-O 3.19Å; L540-V562 HydrophobicContact CD1-CB 4.42Å; L540-V562 HydrophobicContact CD1-CG1 3.89Å; L540-V562 HydrophobicContact CD1-CG2 4.1Å; L540-V562 HydrophobicContact CG-CG1 4.24Å; G560-V562 PolarHBondContact O-N 3.34Å; V562-I578 HydrophobicContact CB-CD1 4.49Å; V562-I578 HydrophobicContact CG1-CD1 4.01Å; V562-I578 HydrophobicContact CG2-CD1 3.78Å; V562-L616 HydrophobicContact CG1-CB 4.37Å; V562-I617 CarbonylContact C-O 3.57Å; V562-I617 WeakPolarHBondContact CA-O 3.28Å
563L94Very high88.8Confident0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-113.2136.5-175.9-51175.9000110.5A535 I536 I537 V557 D561 P572 V573 L616 I617 A619A535-L563 HydrophobicContact CB-CD1 4.35Å; A535-L563 HydrophobicContact CB-CD2 4.18Å; I536-L563 CarbonylContact O-C 3.54Å; I536-L563 WeakPolarHBondContact O-CA 3.42Å; I537-L563 HydrophobicContact CB-CD2 4.03Å; I537-L563 HydrophobicContact CG1-CD2 4.22Å; V557-L563 HydrophobicContact CG1-CD1 3.87Å; V557-L563 HydrophobicContact CG1-CD2 4.3Å; D561-L563 HydrophobicContact CB-CD2 4.11Å; L563-P572 HydrophobicContact CD1-CG 3.66Å; L563-V573 HydrophobicContact CD1-CG2 3.49Å; L563-V573 VanDerWaalsContact CD1-CG2 3.49Å; L563-L616 WeakPolarHBondContact O-CA 3.38Å; L563-I617 HydrophobicContact CB-CD1 4.4Å; L563-I617 HydrophobicContact CB-CG1 3.83Å; L563-I617 PolarHBondContact N-O 3Å; L563-I617 PolarHBondContact O-N 3.35Å; L563-A619 HydrophobicContact CD1-CB 4.29Å
564K94Very high89.1Confident42 Ų4236.5 Ų36.518%0.18321%0.207CC..EExtended strand (participates in β ladder)trans-94123.1173179179.9175.1-1720110.2I536 V538 E549 L615 L616I536-K564 HydrophobicContact CB-CB 4.49Å; I536-K564 HydrophobicContact CG2-CB 4.24Å; I536-K564 PolarHBondContact O-N 3.3Å; V538-K564 HydrophobicContact CG2-CB 3.48Å; V538-K564 VanDerWaalsContact CG2-CB 3.48Å; V538-K564 HydrophobicContact CG2-CD 4.3Å; E549-K564 WeakPolarHBondContact OE1-CD 3.3Å; E549-K564 IonicContact OE1-NZ 3.95Å; E549-K564 PolarHBondContact OE1-NZ 3.42Å; E549-K564 IonicContact OE2-NZ 3.58Å; E549-K564 PolarHBondContact OE2-NZ 2.74Å; K564-L615 WeakPolarHBondContact CA-O 3.38Å; K564-L616 HydrophobicContact CB-CD2 3.8Å; K564-L616 HydrophobicContact CG-CD2 4.16Å
565V94.2Very high89.5Confident3 Ų336 Ų362%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-109.6114.1175-169.20000108.5A569 I571 N610 L615 I617V565-A569 HydrophobicContact CG1-CB 4.3Å; V565-I571 HydrophobicContact CG1-CG1 3.94Å; V565-I571 HydrophobicContact CG2-CG1 4.32Å; V565-N610 HydrophobicContact CG1-CB 3.57Å; V565-N610 PolarHBondContact O-ND2 3.02Å; V565-L615 HydrophobicContact CB-CB 4.35Å; V565-L615 PolarHBondContact N-O 3.23Å; V565-L615 PolarHBondContact O-N 2.98Å; V565-I617 HydrophobicContact CG2-CD1 3.7Å; V565-I617 HydrophobicContact CG2-CG1 4.06Å; V565-I617 HydrophobicContact CG2-CG2 4.43Å
566V92.6Very high90.2Very high51 Ų5137.1 Ų37.131%0.30920%0.204SC..  trans-80.4156.4176.9-61.70000111.1G568 A569 N610V566-G568 PolarHBondContact O-N 3.11Å; V566-A569 HydrophobicContact CG2-CB 3.55Å; V566-A569 WeakPolarHBondContact O-CB 3.49Å; V566-A569 PolarHBondContact O-N 2.93Å; V566-A569 VanDerWaalsContact O-N 3.11Å; V566-N610 VanDerWaalsContact C-ND2 3.31Å; V566-N610 PolarHBondContact O-ND2 3.26Å; V566-N610 VanDerWaalsContact O-ND2 3.08Å
567P92.1Very high90.8Very high63 Ų6336.3 Ų36.341%0.40920%0.2SC..THydrogen-bonded Turntrans-54.5134.9171.8-25.128.8000111.4A569 G613 N614P567-A569 VanDerWaalsContact C-N 3.26Å; P567-A569 PolarHBondContact O-N 3.4Å; P567-G613 WeakPolarHBondContact CD-O 3.42Å; P567-G613 WeakPolarHBondContact CG-O 3.27Å; P567-N614 WeakPolarHBondContact CD-OD1 3.36Å
568G87.7Confident91Very high58 Ų5838.8 Ų38.860%0.59821%0.213SC*.THydrogen-bonded Turntrans81-10.8-175.800000115.2V566 N610V566-G568 PolarHBondContact O-N 3.11Å; G568-N610 VanDerWaalsContact CA-O 3.32Å; G568-N610 WeakPolarHBondContact CA-O 3.35Å; G568-N610 PolarHBondContact N-O 2.59Å
569A90.4Very high91.2Very high32 Ų3242.7 Ų42.726%0.26423%0.229SC..PPolyproline II helixtrans-82.2151.9177.900000112.4V565 V566 P567 N610V565-A569 HydrophobicContact CG1-CB 4.3Å; V566-A569 HydrophobicContact CG2-CB 3.55Å; V566-A569 WeakPolarHBondContact O-CB 3.49Å; V566-A569 PolarHBondContact O-N 2.93Å; V566-A569 VanDerWaalsContact O-N 3.11Å; P567-A569 VanDerWaalsContact C-N 3.26Å; P567-A569 PolarHBondContact O-N 3.4Å; A569-N610 PolarHBondContact O-N 3.13Å
570K90.9Very high91.1Very high79 Ų7936.3 Ų36.334%0.34321%0.209SC..BIsolated β-bridgetrans-74137.2169.6-70.6165.6168.4-178.30109.6S529 L530 A532 P572 S608 I609S529-K570 PolarHBondContact O-NZ 3.26Å; L530-K570 WeakPolarHBondContact O-CD 3.44Å; A532-K570 HydrophobicContact CB-CB 4.3Å; K570-P572 WeakPolarHBondContact O-CD 3.41Å; K570-S608 CarbonylContact C-O 3.58Å; K570-S608 WeakPolarHBondContact CA-O 3.29Å; K570-I609 HydrophobicContact CG-CG1 4.26Å
571I93.1Very high91.1Very high0 Ų039.2 Ų39.20%022%0.22CC..PPolyproline II helixtrans-69.1120.6172.2-69.3157.4000107.7V565 V573 V584 V604 G606 G607 S608 I617V565-I571 HydrophobicContact CG1-CG1 3.94Å; V565-I571 HydrophobicContact CG2-CG1 4.32Å; I571-V573 VanDerWaalsContact CG2-O 3.27Å; I571-V573 WeakPolarHBondContact CG2-O 3.31Å; I571-V584 HydrophobicContact CD1-CB 4.47Å; I571-V584 HydrophobicContact CD1-CG1 3.53Å; I571-V584 HydrophobicContact CD1-CG2 4.03Å; I571-V604 HydrophobicContact CD1-CB 4.08Å; I571-V604 HydrophobicContact CD1-CG1 4.37Å; I571-V604 HydrophobicContact CG2-CB 4.4Å; I571-V604 HydrophobicContact CG2-CG2 4.09Å; I571-G606 WeakPolarHBondContact O-CA 3.42Å; I571-G607 PolarHBondContact O-N 2.78Å; I571-S608 PolarHBondContact N-O 3.4Å; I571-I617 HydrophobicContact CG2-CD1 3.77Å
572P91.8Very high91Very high10 Ų1038.9 Ų38.97%0.06522%0.218CC..  trans-70.1-41.6-169.523.8-33.2000114.1A532 A535 L554 L563 K570A532-P572 HydrophobicContact CB-CB 4.01Å; A535-P572 HydrophobicContact CB-CB 3.77Å; A535-P572 HydrophobicContact CB-CG 3.89Å; L554-P572 HydrophobicContact CD1-CB 3.6Å; L554-P572 WeakPolarHBondContact CD1-O 3.41Å; L563-P572 HydrophobicContact CD1-CG 3.66Å; K570-P572 WeakPolarHBondContact O-CD 3.41Å
573V91.9Very high90.7Very high0 Ų039.2 Ų39.20%022%0.222CC..SBendtrans-141166.7-175.1-62.70000110.2L554 V557 L563 I571 A619 H621 V622 T626L554-V573 HydrophobicContact CD1-CG1 3.49Å; L554-V573 VanDerWaalsContact CD1-CG1 3.49Å; L554-V573 HydrophobicContact CG-CG1 4.49Å; V557-V573 HydrophobicContact CB-CG1 4.5Å; V557-V573 HydrophobicContact CG1-CG1 4.12Å; V557-V573 HydrophobicContact CG1-CG2 4.22Å; L563-V573 HydrophobicContact CD1-CG2 3.49Å; L563-V573 VanDerWaalsContact CD1-CG2 3.49Å; I571-V573 VanDerWaalsContact CG2-O 3.27Å; I571-V573 WeakPolarHBondContact CG2-O 3.31Å; V573-A619 HydrophobicContact CG2-CB 3.69Å; V573-H621 WeakPolarHBondContact CB-O 3.38Å; V573-V622 HydrophobicContact CB-CG1 4.36Å; V573-V622 HydrophobicContact CG1-CG1 4.19Å; V573-V622 HydrophobicContact CG2-CG1 4.39Å; V573-T626 HydrophobicContact CB-CG2 4.32Å; V573-T626 HydrophobicContact CG1-CG2 4.44Å
574D91.3Very high90.3Very high8 Ų839.2 Ų39.24%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-71.4136.9173.7-54.7-42.7000110.3V604 I605 G606 T620 H621 T626 T627D574-V604 WeakPolarHBondContact CA-O 3.38Å; D574-I605 WeakPolarHBondContact OD1-CA 3.38Å; D574-G606 PolarHBondContact OD1-N 3.27Å; D574-T620 VanDerWaalsContact C-OG1 3.32Å; D574-T620 PolarHBondContact O-N 3Å; D574-T620 PolarHBondContact O-OG1 2.83Å; D574-H621 HydrophobicContact CB-CB 4.14Å; D574-H621 PolarHBondContact N-O 3.26Å; D574-H621 PolarHBondContact O-N 3.07Å; D574-T626 WeakPolarHBondContact OD2-CA 3.48Å; D574-T627 PolarHBondContact OD1-OG1 3.4Å; D574-T627 WeakPolarHBondContact OD2-CG2 3.5Å; D574-T627 PolarHBondContact OD2-N 3.46Å; D574-T627 PolarHBondContact OD2-OG1 3.28Å
575G91.7Very high89.9Confident2 Ų238.9 Ų38.92%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-158178.5-172.900000114.4A603 V604 E618 T620G575-A603 CarbonylContact O-C 3.56Å; G575-A603 WeakPolarHBondContact O-CA 3.49Å; G575-V604 PolarHBondContact N-O 2.68Å; G575-V604 WeakPolarHBondContact O-CG2 3.45Å; G575-V604 PolarHBondContact O-N 3Å; G575-E618 CarbonylContact C-O 3.56Å; G575-E618 WeakPolarHBondContact CA-O 3.28Å; G575-T620 PolarHBondContact N-OG1 3.31Å
576R92.5Very high89.2Confident138 Ų13839.5 Ų39.552%0.52123%0.225SC..EExtended strand (participates in β ladder)trans-114.9132.4172.1-172.5177.2-69.4-1037.2109.6I578 G601 C602 I617 E618 T620R576-I578 PolarHBondContact O-N 3.37Å; R576-G601 PolarHBondContact NH1-O 3.48Å; R576-C602 WeakPolarHBondContact CA-O 3.31Å; R576-I617 CarbonylContact O-C 3.57Å; R576-I617 VanDerWaalsContact O-CA 3.31Å; R576-I617 WeakPolarHBondContact O-CA 3.48Å; R576-E618 PolarHBondContact N-O 3.28Å; R576-E618 PolarHBondContact O-N 3.38Å; R576-T620 HydrophobicContact CB-CG2 4.41Å
577V93Very high88.1Confident2 Ų238.6 Ų38.61%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-65.9120.3175.9-177.70000109.1K598 S599 P600 G601 C602 V604 L615 L616 I617V577-K598 HydrophobicContact CG2-CB 4.3Å; V577-S599 WeakPolarHBondContact CB-O 3.49Å; V577-P600 CarbonylContact O-C 3.54Å; V577-P600 WeakPolarHBondContact O-CA 3.46Å; V577-G601 PolarHBondContact O-N 3.23Å; V577-C602 PolarHBondContact N-O 3.23Å; V577-V604 HydrophobicContact CG2-CG1 3.73Å; V577-L615 HydrophobicContact CG1-CD2 3.95Å; V577-L615 HydrophobicContact CG2-CD1 4.43Å; V577-L615 HydrophobicContact CG2-CD2 4.45Å; V577-L616 CarbonylContact C-O 3.5Å; V577-I617 HydrophobicContact CG2-CG2 4.24Å
578I90.4Very high87Confident55 Ų5542.1 Ų42.128%0.28223%0.23SC..EExtended strand (participates in β ladder)trans-88.2-44.3173.1-51.4177.7000109.5V562 R576 L616 E618V562-I578 HydrophobicContact CB-CD1 4.49Å; V562-I578 HydrophobicContact CG1-CD1 4.01Å; V562-I578 HydrophobicContact CG2-CD1 3.78Å; R576-I578 PolarHBondContact O-N 3.37Å; I578-L616 PolarHBondContact N-O 3.08Å; I578-E618 HydrophobicContact CD1-CB 3.75Å; I578-E618 HydrophobicContact CD1-CG 4.29Å; I578-E618 HydrophobicContact CG1-CB 3.89Å
579F88.9Confident86.2Confident127 Ų12739.9 Ų39.956%0.55720%0.204SC*.EExtended strand (participates in β ladder)trans-146.5149.6-175.3-177.7-92.9000110.8L616F579-L616 HydrophobicContact CB-CB 4.15Å; F579-L616 HydrophobicContact CB-CD1 4.06Å; F579-L616 HydrophobicContact CB-CG 4.46Å; F579-L616 HydrophobicContact CD1-CD1 4.19Å; F579-L616 HydrophobicContact CG-CD1 4.47Å; F579-L616 PolarHBondContact N-O 3.08Å; F579-L616 PolarHBondContact O-N 3.39Å
580G84.2Confident84.9Confident14 Ų1439.3 Ų39.314%0.14420%0.197CC..  trans97.3156.4-176.400000113P600 N614G580-P600 WeakPolarHBondContact O-CD 3.36Å; G580-N614 WeakPolarHBondContact CA-O 3.41Å
581T86.3Confident83.2Confident99 Ų9937.1 Ų37.161%0.60720%0.197SC*.  trans-129.1139.217253.20000108.2K598T581-K598 WeakPolarHBondContact CA-O 3.26Å
582S87.9Confident81.6Confident10 Ų1041.6 Ų41.67%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-155.3162.7-173.1169.90000111.2S597 K598 N610 H612S582-S597 CarbonylContact O-C 3.24Å; S582-S597 WeakPolarHBondContact O-CA 3.43Å; S582-K598 PolarHBondContact N-O 3.15Å; S582-K598 PolarHBondContact O-N 3.02Å; S582-N610 VanDerWaalsContact CB-OD1 3.31Å; S582-N610 WeakPolarHBondContact CB-OD1 3.23Å; S582-N610 PolarHBondContact OG-OD1 3.15Å; S582-H612 WeakPolarHBondContact CA-O 3.31Å; S582-H612 WeakPolarHBondContact CB-O 3.49Å; S582-H612 PolarHBondContact OG-O 3.47Å
583S85.6Confident79.8Confident30 Ų3046.8 Ų46.821%0.2125%0.252CS..EExtended strand (participates in β ladder)trans-99.5130.9156.9-49.10000109.9V596 L611S583-V596 WeakPolarHBondContact CA-O 3.25Å; S583-L611 WeakPolarHBondContact O-CB 3.48Å; S583-L611 PolarHBondContact O-N 3.33Å
584V85.6Confident78.8Confident0 Ų053.1 Ų53.10%029%0.285CS..EExtended strand (participates in β ladder)trans-112.1128.9179.6177.40000109.2I571 E586 P595 V596 K598 I609 L615I571-V584 HydrophobicContact CD1-CB 4.47Å; I571-V584 HydrophobicContact CD1-CG1 3.53Å; I571-V584 HydrophobicContact CD1-CG2 4.03Å; V584-E586 HydrophobicContact CG1-CG 3.93Å; V584-E586 PolarHBondContact O-N 3.48Å; V584-P595 WeakPolarHBondContact O-CA 3.35Å; V584-V596 PolarHBondContact N-O 3.43Å; V584-V596 PolarHBondContact O-N 2.85Å; V584-K598 HydrophobicContact CB-CG 4.02Å; V584-K598 HydrophobicContact CG2-CB 4.33Å; V584-K598 HydrophobicContact CG2-CG 3.58Å; V584-I609 CarbonylContact C-O 3.51Å; V584-I609 WeakPolarHBondContact CA-O 3.22Å; V584-L615 HydrophobicContact CG2-CD1 4.07Å
585D85.2Confident78Confident36 Ų3655.5 Ų55.519%0.19330%0.301CS..EExtended strand (participates in β ladder)trans-83.1107.3172.1-177.45.3000109.7S587 S608 I609 L611D585-S587 WeakPolarHBondContact OD1-CB 3.41Å; D585-S587 PolarHBondContact OD1-N 2.86Å; D585-S587 PolarHBondContact OD1-OG 3.49Å; D585-S587 PolarHBondContact OD2-OG 3.32Å; D585-S608 WeakPolarHBondContact O-CB 3.27Å; D585-I609 HydrophobicContact CB-CB 4.35Å; D585-I609 PolarHBondContact N-O 2.92Å; D585-I609 PolarHBondContact O-N 3.18Å; D585-L611 HydrophobicContact CB-CD1 4.2Å; D585-L611 HydrophobicContact CB-CD2 4.01Å; D585-L611 HydrophobicContact CB-CG 4.14Å
586E80.6Confident77.3Confident15 Ų1557.5 Ų57.57%0.0731%0.312CS..  trans-102.68.1176.5-55.1-173.3166.500111.7V584 F588 I589 T590 K598V584-E586 HydrophobicContact CG1-CG 3.93Å; V584-E586 PolarHBondContact O-N 3.48Å; E586-F588 VanDerWaalsContact C-N 3.26Å; E586-F588 PolarHBondContact O-N 3.2Å; E586-F588 VanDerWaalsContact O-N 3.1Å; E586-I589 PolarHBondContact O-N 3.26Å; E586-T590 HydrophobicContact CB-CG2 3.76Å; E586-T590 PolarHBondContact O-N 2.87Å; E586-T590 PolarHBondContact O-OG1 2.88Å; E586-K598 WeakPolarHBondContact OE1-CE 3.26Å; E586-K598 IonicContact OE1-NZ 2.99Å; E586-K598 PolarHBondContact OE1-NZ 2.71Å; E586-K598 IonicContact OE2-NZ 2.67Å
587S69.3Low76.9Confident32 Ų3255.3 Ų55.322%0.22432%0.318CS..Hα-helixtrans-56.4-33.4-168.561.70000114.8D585 I589 G591 E592D585-S587 WeakPolarHBondContact OD1-CB 3.41Å; D585-S587 PolarHBondContact OD1-N 2.86Å; D585-S587 PolarHBondContact OD1-OG 3.49Å; D585-S587 PolarHBondContact OD2-OG 3.32Å; S587-I589 VanDerWaalsContact C-N 3.34Å; S587-G591 WeakPolarHBondContact O-CA 3.42Å; S587-G591 PolarHBondContact O-N 2.72Å; S587-E592 WeakPolarHBondContact CA-O 3.47Å; S587-E592 WeakPolarHBondContact CB-O 3.4Å
588F68.8Low76.5Confident137 Ų13756.3 Ų56.360%0.60132%0.322SS*.Hα-helixtrans-74.1-23.9179.1-74.9-80.3000114L530 E586L530-F588 HydrophobicContact CD1-CB 3.63Å; L530-F588 HydrophobicContact CD1-CG 4.29Å; L530-F588 HydrophobicContact CD2-CB 4.29Å; L530-F588 HydrophobicContact CD2-CD2 4.36Å; L530-F588 HydrophobicContact CD2-CG 4.19Å; E586-F588 VanDerWaalsContact C-N 3.26Å; E586-F588 PolarHBondContact O-N 3.2Å; E586-F588 VanDerWaalsContact O-N 3.1Å
589I70.2Confident76.2Confident12 Ų1256.3 Ų56.36%0.06233%0.328CS..Hα-helixtrans-101.8-53.6-177.1-57.3174.6000109.1E586 S587 I605 G606 I631 I1074E586-I589 PolarHBondContact O-N 3.26Å; S587-I589 VanDerWaalsContact C-N 3.34Å; I589-I605 HydrophobicContact CD1-CG2 3.68Å; I589-I605 HydrophobicContact CG2-CG2 4.27Å; I589-G606 WeakPolarHBondContact CD1-O 3.36Å; I589-I631 HydrophobicContact CG2-CD1 3.95Å; I589-I1074 HydrophobicContact CG2-CG2 4.43Å; I589-I1074 WeakPolarHBondContact O-CG2 3.46Å
590T63.2Low76.1Confident19 Ų1953.7 Ų53.712%0.11732%0.323CS..Hα-helixtrans-82.6-17.8-178.4670000112.2E586 E592 I605 K1075E586-T590 HydrophobicContact CB-CG2 3.76Å; E586-T590 PolarHBondContact O-N 2.87Å; E586-T590 PolarHBondContact O-OG1 2.88Å; T590-E592 PolarHBondContact O-N 3.33Å; T590-E592 PolarHBondContact OG1-N 3.43Å; T590-I605 HydrophobicContact CG2-CD1 4.31Å; T590-K1075 WeakPolarHBondContact O-CD 3.46Å; T590-K1075 WeakPolarHBondContact O-CE 3.43Å; T590-K1075 WeakPolarHBondContact O-CG 3.49Å; T590-K1075 PolarHBondContact O-NZ 3.5Å
591G55.4Low75.9Confident33 Ų3354.7 Ų54.734%0.3433%0.334SS..  trans729.2-175.400000114.2S587 K1075S587-G591 WeakPolarHBondContact O-CA 3.42Å; S587-G591 PolarHBondContact O-N 2.72Å; G591-K1075 PolarHBondContact O-NZ 2.96Å
592E59.3Low75.7Confident94 Ų9451.8 Ų51.844%0.43932%0.317SS..  trans-88.7125.1176.8-66.1-162.316200110.7S587 T590 L594S587-E592 WeakPolarHBondContact CA-O 3.47Å; S587-E592 WeakPolarHBondContact CB-O 3.4Å; T590-E592 PolarHBondContact O-N 3.33Å; T590-E592 PolarHBondContact OG1-N 3.43Å; E592-L594 PolarHBondContact O-N 3.26Å
593P55.4Low75.6Confident119 Ų11954.3 Ų54.377%0.77334%0.339SS*.SBendtrans-75.2-13.2-175.230.7-35.7000113.5
594L69.3Low75.8Confident133 Ų13353 Ų5370%0.69633%0.329SS*.SBendtrans-97.5131.7-177.5-70.9171.4000110.2E592E592-L594 PolarHBondContact O-N 3.26Å
595P74.6Confident75.9Confident59 Ų5954.9 Ų54.938%0.38334%0.339SS..PPolyproline II helixtrans-60.9138.2174.8-24.134.4000112.5V584 L611V584-P595 WeakPolarHBondContact O-CA 3.35Å; P595-L611 HydrophobicContact CB-CD1 3.55Å; P595-L611 HydrophobicContact CG-CD1 3.44Å; P595-L611 VanDerWaalsContact CG-CD1 3.44Å
596V78.3Confident76Confident43 Ų4353.2 Ų53.226%0.26133%0.331SS..EExtended strand (participates in β ladder)trans-91.9127.7-179.4-177.10000109.4S583 V584 K598S583-V596 WeakPolarHBondContact CA-O 3.25Å; V584-V596 PolarHBondContact N-O 3.43Å; V584-V596 PolarHBondContact O-N 2.85Å; V596-K598 HydrophobicContact CG1-CD 4.39Å
597S83.1Confident76.2Confident92 Ų9252.7 Ų52.764%0.64333%0.329SS*.EExtended strand (participates in β ladder)trans-75.5130.8176.9-64.50000111.2S582S582-S597 CarbonylContact O-C 3.24Å; S582-S597 WeakPolarHBondContact O-CA 3.43Å
598K84.8Confident77.1Confident23 Ų2351.3 Ų51.310%0.132%0.319CS..EExtended strand (participates in β ladder)trans-119.5124.9-178.7-56.8-65.3-178168.40110.3V577 T581 S582 V584 E586 V596 C602 A603 V604V577-K598 HydrophobicContact CG2-CB 4.3Å; T581-K598 WeakPolarHBondContact CA-O 3.26Å; S582-K598 PolarHBondContact N-O 3.15Å; S582-K598 PolarHBondContact O-N 3.02Å; V584-K598 HydrophobicContact CB-CG 4.02Å; V584-K598 HydrophobicContact CG2-CB 4.33Å; V584-K598 HydrophobicContact CG2-CG 3.58Å; E586-K598 WeakPolarHBondContact OE1-CE 3.26Å; E586-K598 IonicContact OE1-NZ 2.99Å; E586-K598 PolarHBondContact OE1-NZ 2.71Å; E586-K598 IonicContact OE2-NZ 2.67Å; V596-K598 HydrophobicContact CG1-CD 4.39Å; K598-C602 HydrophobicContact CB-CB 4.28Å; K598-C602 HydrophobicContact CD-CB 4.02Å; K598-A603 PolarHBondContact NZ-O 3.16Å; K598-V604 HydrophobicContact CB-CG1 4.49Å; K598-V604 HydrophobicContact CD-CG1 4.17Å; K598-V604 HydrophobicContact CG-CG1 4.05Å
599S84.1Confident78.1Confident56 Ų5646.8 Ų46.839%0.39230%0.301SS..  trans-113.5168.7174.765.30000110.9V577 G601 C602V577-S599 WeakPolarHBondContact CB-O 3.49Å; S599-G601 PolarHBondContact O-N 2.98Å; S599-C602 PolarHBondContact N-SG 3.27Å; S599-C602 VanDerWaalsContact N-SG 3.38Å; S599-C602 WeakPolarHBondContact O-CB 2.89Å; S599-C602 PolarHBondContact O-N 3.34Å; S599-C602 PolarHBondContact O-SG 2.9Å; S599-C602 VanDerWaalsContact O-SG 3.35Å; S599-C602 PolarHBondContact OG-SG 3.48Å
600P87.4Confident79.2Confident72 Ų7246.2 Ų46.247%0.46830%0.298SS..THydrogen-bonded Turntrans-49.9133.9170.9-28.137.4000111.3V577 G580V577-P600 CarbonylContact O-C 3.54Å; V577-P600 WeakPolarHBondContact O-CA 3.46Å; G580-P600 WeakPolarHBondContact O-CD 3.36Å
601G80Confident80.4Confident35 Ų3548 Ų4836%0.36131%0.306SS..THydrogen-bonded Turntrans89-14.4-172.200000115R576 V577 S599R576-G601 PolarHBondContact NH1-O 3.48Å; V577-G601 PolarHBondContact O-N 3.23Å; S599-G601 PolarHBondContact O-N 2.98Å
602C82.1Confident81.5Confident37 Ų3752 Ų5225%0.2532%0.316CS..  trans-74.4143.5178.5-67.40000111.9R576 V577 K598 S599R576-C602 WeakPolarHBondContact CA-O 3.31Å; V577-C602 PolarHBondContact N-O 3.23Å; K598-C602 HydrophobicContact CB-CB 4.28Å; K598-C602 HydrophobicContact CD-CB 4.02Å; S599-C602 PolarHBondContact N-SG 3.27Å; S599-C602 VanDerWaalsContact N-SG 3.38Å; S599-C602 WeakPolarHBondContact O-CB 2.89Å; S599-C602 PolarHBondContact O-N 3.34Å; S599-C602 PolarHBondContact O-SG 2.9Å; S599-C602 VanDerWaalsContact O-SG 3.35Å; S599-C602 PolarHBondContact OG-SG 3.48Å
603A84.9Confident82.5Confident64 Ų6449.1 Ų49.153%0.52931%0.311SS..EExtended strand (participates in β ladder)trans-79.1141.8171.400000111G575 K598G575-A603 CarbonylContact O-C 3.56Å; G575-A603 WeakPolarHBondContact O-CA 3.49Å; K598-A603 PolarHBondContact NZ-O 3.16Å
604V89.7Confident84.2Confident3 Ų347.6 Ų47.62%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-123.2145.2175.7-68.40000110.1I571 D574 G575 V577 K598 I617I571-V604 HydrophobicContact CD1-CB 4.08Å; I571-V604 HydrophobicContact CD1-CG1 4.37Å; I571-V604 HydrophobicContact CG2-CB 4.4Å; I571-V604 HydrophobicContact CG2-CG2 4.09Å; D574-V604 WeakPolarHBondContact CA-O 3.38Å; G575-V604 PolarHBondContact N-O 2.68Å; G575-V604 WeakPolarHBondContact O-CG2 3.45Å; G575-V604 PolarHBondContact O-N 3Å; V577-V604 HydrophobicContact CG2-CG1 3.73Å; K598-V604 HydrophobicContact CB-CG1 4.49Å; K598-V604 HydrophobicContact CD-CG1 4.17Å; K598-V604 HydrophobicContact CG-CG1 4.05Å; V604-I617 HydrophobicContact CG2-CB 4.27Å; V604-I617 HydrophobicContact CG2-CD1 4.11Å; V604-I617 HydrophobicContact CG2-CG2 3.95Å
605I87.3Confident85.2Confident38 Ų3841.3 Ų41.320%0.19526%0.264CS..  trans-102.7129.7-174.5-58.2177.5000109.3D574 I589 T590 S608 T627D574-I605 WeakPolarHBondContact OD1-CA 3.38Å; I589-I605 HydrophobicContact CD1-CG2 3.68Å; I589-I605 HydrophobicContact CG2-CG2 4.27Å; T590-I605 HydrophobicContact CG2-CD1 4.31Å; I605-S608 WeakPolarHBondContact O-CB 3.37Å; I605-S608 PolarHBondContact O-N 2.88Å; I605-S608 PolarHBondContact O-OG 2.93Å; I605-T627 HydrophobicContact CG2-CG2 4.49Å; I605-T627 WeakPolarHBondContact CG2-OG1 3.42Å
606G87.7Confident86.1Confident2 Ų239.2 Ų39.22%0.02125%0.25CC..THydrogen-bonded Turntrans-58135.3174.700000112.2I571 D574 I589 S608I571-G606 WeakPolarHBondContact O-CA 3.42Å; D574-G606 PolarHBondContact OD1-N 3.27Å; I589-G606 WeakPolarHBondContact CD1-O 3.36Å; G606-S608 VanDerWaalsContact C-N 3.34Å
607G85Confident86.9Confident3 Ų337.2 Ų37.23%0.03124%0.237CC..THydrogen-bonded Turntrans89.1-11.5-174.500000115.1L530 I571L530-G607 VanDerWaalsContact O-CA 3.32Å; L530-G607 WeakPolarHBondContact O-CA 3.47Å; I571-G607 PolarHBondContact O-N 2.78Å
608S87.9Confident87.4Confident3 Ų336.9 Ų36.92%0.02123%0.226CC..  trans-70156.3171.9-49.50000111.2K570 I571 D585 I605 G606K570-S608 CarbonylContact C-O 3.58Å; K570-S608 WeakPolarHBondContact CA-O 3.29Å; I571-S608 PolarHBondContact N-O 3.4Å; D585-S608 WeakPolarHBondContact O-CB 3.27Å; I605-S608 WeakPolarHBondContact O-CB 3.37Å; I605-S608 PolarHBondContact O-N 2.88Å; I605-S608 PolarHBondContact O-OG 2.93Å; G606-S608 VanDerWaalsContact C-N 3.34Å
609I90.9Very high87.8Confident43 Ų4335.9 Ų35.922%0.22122%0.222CC..EExtended strand (participates in β ladder)trans-104.5121.6-176.2-57.3172.3000109.5K570 V584 D585 L611K570-I609 HydrophobicContact CG-CG1 4.26Å; V584-I609 CarbonylContact C-O 3.51Å; V584-I609 WeakPolarHBondContact CA-O 3.22Å; D585-I609 HydrophobicContact CB-CB 4.35Å; D585-I609 PolarHBondContact N-O 2.92Å; D585-I609 PolarHBondContact O-N 3.18Å; I609-L611 HydrophobicContact CG2-CD2 4.36Å; I609-L611 PolarHBondContact O-N 3.21Å
610N92.6Very high88Confident0 Ų035.7 Ų35.70%022%0.218CC..EExtended strand (participates in β ladder)trans-72.6119.8172.4-17840000109.3V565 V566 G568 A569 S582 H612 G613V565-N610 HydrophobicContact CG1-CB 3.57Å; V565-N610 PolarHBondContact O-ND2 3.02Å; V566-N610 VanDerWaalsContact C-ND2 3.31Å; V566-N610 PolarHBondContact O-ND2 3.26Å; V566-N610 VanDerWaalsContact O-ND2 3.08Å; G568-N610 VanDerWaalsContact CA-O 3.32Å; G568-N610 WeakPolarHBondContact CA-O 3.35Å; G568-N610 PolarHBondContact N-O 2.59Å; A569-N610 PolarHBondContact O-N 3.13Å; S582-N610 VanDerWaalsContact CB-OD1 3.31Å; S582-N610 WeakPolarHBondContact CB-OD1 3.23Å; S582-N610 PolarHBondContact OG-OD1 3.15Å; N610-H612 PolarHBondContact OD1-O 2.81Å; N610-G613 PolarHBondContact ND2-O 2.63Å
611L88.1Confident87.9Confident55 Ų5535.5 Ų35.529%0.28821%0.211SC..  trans-89.4-51.5-177.1-58.5177.4000112.2S583 D585 P595 I609S583-L611 WeakPolarHBondContact O-CB 3.48Å; S583-L611 PolarHBondContact O-N 3.33Å; D585-L611 HydrophobicContact CB-CD1 4.2Å; D585-L611 HydrophobicContact CB-CD2 4.01Å; D585-L611 HydrophobicContact CB-CG 4.14Å; P595-L611 HydrophobicContact CB-CD1 3.55Å; P595-L611 HydrophobicContact CG-CD1 3.44Å; P595-L611 VanDerWaalsContact CG-CD1 3.44Å; I609-L611 HydrophobicContact CG2-CD2 4.36Å; I609-L611 PolarHBondContact O-N 3.21Å
612H79.8Confident88.1Confident117 Ų11734 Ų3454%0.54220%0.195SC..SBendtrans-124.3153.9-169.8-58.2-48.5000110.5S582 N610S582-H612 WeakPolarHBondContact CA-O 3.31Å; S582-H612 WeakPolarHBondContact CB-O 3.49Å; S582-H612 PolarHBondContact OG-O 3.47Å; N610-H612 PolarHBondContact OD1-O 2.81Å
613G80.5Confident87.9Confident34 Ų3433.6 Ų33.635%0.35120%0.197SC..SBendtrans66155.717500000115.7P567 N610P567-G613 WeakPolarHBondContact CD-O 3.42Å; P567-G613 WeakPolarHBondContact CG-O 3.27Å; N610-G613 PolarHBondContact ND2-O 2.63Å
614N89.6Confident87.1Confident88 Ų8834.7 Ų34.747%0.47120%0.199SC..  trans-86.2132.5169.3-66-15.5000107.9P567 G580P567-N614 WeakPolarHBondContact CD-OD1 3.36Å; G580-N614 WeakPolarHBondContact CA-O 3.41Å
615L91.4Very high86.2Confident0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-109.4135.4172.2-64.1179.2000109.7K564 V565 V577 V584 I617K564-L615 WeakPolarHBondContact CA-O 3.38Å; V565-L615 HydrophobicContact CB-CB 4.35Å; V565-L615 PolarHBondContact N-O 3.23Å; V565-L615 PolarHBondContact O-N 2.98Å; V577-L615 HydrophobicContact CG1-CD2 3.95Å; V577-L615 HydrophobicContact CG2-CD1 4.43Å; V577-L615 HydrophobicContact CG2-CD2 4.45Å; V584-L615 HydrophobicContact CG2-CD1 4.07Å; L615-I617 HydrophobicContact CB-CG2 4.02Å
616L93.5Very high85.9Confident16 Ų1635.6 Ų35.68%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-101.8119.4161.4-65.9177.4000107.3V538 L540 V562 L563 K564 V577 I578 F579V538-L616 HydrophobicContact CG2-CD2 4.28Å; L540-L616 HydrophobicContact CD2-CD1 4.11Å; V562-L616 HydrophobicContact CG1-CB 4.37Å; L563-L616 WeakPolarHBondContact O-CA 3.38Å; K564-L616 HydrophobicContact CB-CD2 3.8Å; K564-L616 HydrophobicContact CG-CD2 4.16Å; V577-L616 CarbonylContact C-O 3.5Å; I578-L616 PolarHBondContact N-O 3.08Å; F579-L616 HydrophobicContact CB-CB 4.15Å; F579-L616 HydrophobicContact CB-CD1 4.06Å; F579-L616 HydrophobicContact CB-CG 4.46Å; F579-L616 HydrophobicContact CD1-CD1 4.19Å; F579-L616 HydrophobicContact CG-CD1 4.47Å; F579-L616 PolarHBondContact N-O 3.08Å; F579-L616 PolarHBondContact O-N 3.39Å
617I93.7Very high85.3Confident0 Ų037.6 Ų37.60%022%0.216CC..EExtended strand (participates in β ladder)trans-118.7137.4-17668.7172.7000109.6V562 L563 V565 I571 R576 V577 V604 L615V562-I617 CarbonylContact C-O 3.57Å; V562-I617 WeakPolarHBondContact CA-O 3.28Å; L563-I617 HydrophobicContact CB-CD1 4.4Å; L563-I617 HydrophobicContact CB-CG1 3.83Å; L563-I617 PolarHBondContact N-O 3Å; L563-I617 PolarHBondContact O-N 3.35Å; V565-I617 HydrophobicContact CG2-CD1 3.7Å; V565-I617 HydrophobicContact CG2-CG1 4.06Å; V565-I617 HydrophobicContact CG2-CG2 4.43Å; I571-I617 HydrophobicContact CG2-CD1 3.77Å; R576-I617 CarbonylContact O-C 3.57Å; R576-I617 VanDerWaalsContact O-CA 3.31Å; R576-I617 WeakPolarHBondContact O-CA 3.48Å; V577-I617 HydrophobicContact CG2-CG2 4.24Å; V604-I617 HydrophobicContact CG2-CB 4.27Å; V604-I617 HydrophobicContact CG2-CD1 4.11Å; V604-I617 HydrophobicContact CG2-CG2 3.95Å; L615-I617 HydrophobicContact CB-CG2 4.02Å
618E94.3Very high85Confident86 Ų8637.7 Ų37.740%0.40222%0.216SC..EExtended strand (participates in β ladder)trans-86.3124.1168.7-159.1-178.516000108.8G575 R576 I578 T620G575-E618 CarbonylContact C-O 3.56Å; G575-E618 WeakPolarHBondContact CA-O 3.28Å; R576-E618 PolarHBondContact N-O 3.28Å; R576-E618 PolarHBondContact O-N 3.38Å; I578-E618 HydrophobicContact CD1-CB 3.75Å; I578-E618 HydrophobicContact CD1-CG 4.29Å; I578-E618 HydrophobicContact CG1-CB 3.89Å; E618-T620 PolarHBondContact O-N 3.44Å
619A92.9Very high84.2Confident2 Ų238.6 Ų38.62%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-66.111717700000110.9V557 Q558 R559 G560 D561 L563 V573 V622V557-A619 HydrophobicContact CG1-CB 4.23Å; Q558-A619 WeakPolarHBondContact O-CB 3.44Å; R559-A619 WeakPolarHBondContact CA-O 3.23Å; G560-A619 PolarHBondContact N-O 3.34Å; D561-A619 HydrophobicContact CB-CB 4.42Å; D561-A619 WeakPolarHBondContact O-CB 3.43Å; D561-A619 PolarHBondContact O-N 3.13Å; L563-A619 HydrophobicContact CD1-CB 4.29Å; V573-A619 HydrophobicContact CG2-CB 3.69Å; A619-V622 HydrophobicContact CB-CG1 3.99Å
620T89.3Confident83.1Confident52 Ų5238.9 Ų38.932%0.31922%0.222SC..EExtended strand (participates in β ladder)trans-97-45.2178.358.50000111.8R559 D574 G575 R576 E618R559-T620 WeakPolarHBondContact CD-O 3.36Å; R559-T620 WeakPolarHBondContact CG-O 3.26Å; D574-T620 VanDerWaalsContact C-OG1 3.32Å; D574-T620 PolarHBondContact O-N 3Å; D574-T620 PolarHBondContact O-OG1 2.83Å; G575-T620 PolarHBondContact N-OG1 3.31Å; R576-T620 HydrophobicContact CB-CG2 4.41Å; E618-T620 PolarHBondContact O-N 3.44Å
621H83.9Confident81.8Confident68 Ų6839.7 Ų39.732%0.31523%0.227SC..EExtended strand (participates in β ladder)trans-127.8134.6178.8-59.179.9000109.5V573 D574 D625 T626V573-H621 WeakPolarHBondContact CB-O 3.38Å; D574-H621 HydrophobicContact CB-CB 4.14Å; D574-H621 PolarHBondContact N-O 3.26Å; D574-H621 PolarHBondContact O-N 3.07Å; H621-D625 HydrophobicContact CB-CB 4.28Å; H621-D625 WeakPolarHBondContact CB-O 3.38Å; H621-T626 WeakPolarHBondContact O-CG2 3.26Å
622V85.3Confident80.7Confident3 Ų338 Ų382%0.01822%0.218CC..  trans-135.7149.3-172.2-59.50000111.1V557 R559 V573 A619 D625V557-V622 HydrophobicContact CG1-CG1 3.95Å; R559-V622 HydrophobicContact CG-CG1 4.43Å; R559-V622 HydrophobicContact CG-CG2 3.91Å; V573-V622 HydrophobicContact CB-CG1 4.36Å; V573-V622 HydrophobicContact CG1-CG1 4.19Å; V573-V622 HydrophobicContact CG2-CG1 4.39Å; A619-V622 HydrophobicContact CB-CG1 3.99Å; V622-D625 PolarHBondContact O-N 2.86Å
623G76.9Confident79.9Confident28 Ų2838.8 Ų38.829%0.28922%0.217SC..G310 helixtrans63-128.6179.800000112.8D625 T626 S629G623-D625 PolarHBondContact O-N 3.28Å; G623-T626 WeakPolarHBondContact O-CG2 3.27Å; G623-T626 PolarHBondContact O-N 3.01Å; G623-T626 PolarHBondContact O-OG1 3.17Å; G623-S629 PolarHBondContact O-OG 2.89Å; G623-S629 VanDerWaalsContact O-OG 3.1Å
624P68.8Low78.9Confident88 Ų8837.5 Ų37.557%0.57120%0.202SC*.G310 helixtrans-66.7-17.5-175.730.3-35.9000113.6T626 S629P624-T626 VanDerWaalsContact C-N 3.29Å; P624-S629 WeakPolarHBondContact O-CB 3.29Å
625D70.6Confident77.5Confident50 Ų5034 Ų3427%0.26718%0.183SC..G310 helixtrans-83.4-6.7-178.3-54.8-27.1000112.6R559 H621 V622 G623 Q630R559-D625 IonicContact CZ-OD2 3.87Å; R559-D625 IonicContact NH2-OD2 3.85Å; R559-D625 PolarHBondContact NH2-OD2 3.45Å; H621-D625 HydrophobicContact CB-CB 4.28Å; H621-D625 WeakPolarHBondContact CB-O 3.38Å; V622-D625 PolarHBondContact O-N 2.86Å; G623-D625 PolarHBondContact O-N 3.28Å; D625-Q630 PolarHBondContact O-NE2 3.36Å
626T80.8Confident76Confident9 Ų937.5 Ų37.56%0.05520%0.2CC..SBendtrans-67.1143.9176.154.80000110.8V573 D574 H621 G623 P624 L628 S629 Q630V573-T626 HydrophobicContact CB-CG2 4.32Å; V573-T626 HydrophobicContact CG1-CG2 4.44Å; D574-T626 WeakPolarHBondContact OD2-CA 3.48Å; H621-T626 WeakPolarHBondContact O-CG2 3.26Å; G623-T626 WeakPolarHBondContact O-CG2 3.27Å; G623-T626 PolarHBondContact O-N 3.01Å; G623-T626 PolarHBondContact O-OG1 3.17Å; P624-T626 VanDerWaalsContact C-N 3.29Å; T626-L628 VanDerWaalsContact C-N 3.26Å; T626-L628 PolarHBondContact O-N 2.76Å; T626-S629 WeakPolarHBondContact O-CA 3.38Å; T626-S629 PolarHBondContact O-N 3.47Å; T626-S629 WeakPolarHBondContact OG1-CB 3.3Å; T626-S629 PolarHBondContact OG1-N 3.27Å; T626-S629 PolarHBondContact OG1-OG 3.18Å; T626-Q630 WeakPolarHBondContact O-CG 3Å; T626-Q630 PolarHBondContact O-N 3.45Å
627T76.1Confident74.3Confident45 Ų4539.7 Ų39.728%0.27621%0.21SC..Hα-helixtrans-46.4-48.2174.352.30000111.9D574 I605 S629 Q630 I631D574-T627 PolarHBondContact OD1-OG1 3.4Å; D574-T627 WeakPolarHBondContact OD2-CG2 3.5Å; D574-T627 PolarHBondContact OD2-N 3.46Å; D574-T627 PolarHBondContact OD2-OG1 3.28Å; I605-T627 HydrophobicContact CG2-CG2 4.49Å; I605-T627 WeakPolarHBondContact CG2-OG1 3.42Å; T627-S629 PolarHBondContact O-N 3.32Å; T627-Q630 PolarHBondContact O-N 2.95Å; T627-I631 WeakPolarHBondContact O-CG1 3.48Å; T627-I631 PolarHBondContact O-N 2.85Å
628L78.2Confident72.4Confident5 Ų539.9 Ų39.93%0.02621%0.211CC..Hα-helixtrans-62.7-41.7177.7-174.664.5000112.3L530 Q531 T626 I631 V632L530-L628 HydrophobicContact CB-CD2 4.22Å; Q531-L628 HydrophobicContact CB-CD2 3.95Å; T626-L628 VanDerWaalsContact C-N 3.26Å; T626-L628 PolarHBondContact O-N 2.76Å; L628-I631 PolarHBondContact O-N 3.37Å; L628-V632 VanDerWaalsContact O-CG2 3.32Å; L628-V632 WeakPolarHBondContact O-CG2 3.47Å; L628-V632 PolarHBondContact O-N 2.84Å
629S71.4Confident70.6Confident22 Ų2238.6 Ų38.615%0.15421%0.205CC..Hα-helixtrans-69.2-36.4177.9-65.10000112.3G623 P624 T626 T627 V632 R633G623-S629 PolarHBondContact O-OG 2.89Å; G623-S629 VanDerWaalsContact O-OG 3.1Å; P624-S629 WeakPolarHBondContact O-CB 3.29Å; T626-S629 WeakPolarHBondContact O-CA 3.38Å; T626-S629 PolarHBondContact O-N 3.47Å; T626-S629 WeakPolarHBondContact OG1-CB 3.3Å; T626-S629 PolarHBondContact OG1-N 3.27Å; T626-S629 PolarHBondContact OG1-OG 3.18Å; T627-S629 PolarHBondContact O-N 3.32Å; S629-V632 PolarHBondContact O-N 3.42Å; S629-R633 WeakPolarHBondContact O-CB 3.27Å; S629-R633 PolarHBondContact O-N 3.29Å
630Q67Low68.9Low48 Ų4841.5 Ų41.522%0.22422%0.223CC..Hα-helixtrans-62.4-46.3171.4-67.5-179.9-1.400110.7D625 T626 T627 V632 R633 L634D625-Q630 PolarHBondContact O-NE2 3.36Å; T626-Q630 WeakPolarHBondContact O-CG 3Å; T626-Q630 PolarHBondContact O-N 3.45Å; T627-Q630 PolarHBondContact O-N 2.95Å; Q630-V632 VanDerWaalsContact C-N 3.35Å; Q630-V632 PolarHBondContact O-N 3.16Å; Q630-R633 PolarHBondContact O-N 3.29Å; Q630-L634 WeakPolarHBondContact O-CB 3.2Å; Q630-L634 VanDerWaalsContact O-CG 3.26Å; Q630-L634 WeakPolarHBondContact O-CG 2.94Å; Q630-L634 PolarHBondContact O-N 3.43Å
631I66.5Low67.3Low18 Ų1841.1 Ų41.19%0.09222%0.222CC..Hα-helixtrans-57.6-47.5175.9-66.7165.3000110.7L527 I589 T627 L628 L634 V635 L759 I1074L527-I631 HydrophobicContact CD1-CG2 4.47Å; I589-I631 HydrophobicContact CG2-CD1 3.95Å; T627-I631 WeakPolarHBondContact O-CG1 3.48Å; T627-I631 PolarHBondContact O-N 2.85Å; L628-I631 PolarHBondContact O-N 3.37Å; I631-L634 PolarHBondContact O-N 2.91Å; I631-V635 VanDerWaalsContact O-CG2 3.29Å; I631-V635 WeakPolarHBondContact O-CG2 3.44Å; I631-V635 PolarHBondContact O-N 3Å; I631-L759 HydrophobicContact CB-CD1 4.31Å; I631-L759 HydrophobicContact CG1-CD1 3.91Å; I631-L759 HydrophobicContact CG2-CD1 3.98Å; I631-L759 HydrophobicContact CG2-CD2 3.97Å; I631-I1074 HydrophobicContact CD1-CD1 4.18Å
632V65.1Low66.2Low19 Ų1940.6 Ų40.612%0.11522%0.219CC..Hα-helixtrans-60.7-47178.3170.90000110.8L524 V528 L628 S629 Q630 L634 V635 E636L524-V632 HydrophobicContact CD1-CG1 4.4Å; V528-V632 HydrophobicContact CG2-CG1 4.09Å; V528-V632 HydrophobicContact CG2-CG2 3.89Å; L628-V632 VanDerWaalsContact O-CG2 3.32Å; L628-V632 WeakPolarHBondContact O-CG2 3.47Å; L628-V632 PolarHBondContact O-N 2.84Å; S629-V632 PolarHBondContact O-N 3.42Å; Q630-V632 VanDerWaalsContact C-N 3.35Å; Q630-V632 PolarHBondContact O-N 3.16Å; V632-L634 PolarHBondContact O-N 3Å; V632-V635 PolarHBondContact O-N 3.38Å; V632-E636 HydrophobicContact CG1-CG 4.42Å; V632-E636 WeakPolarHBondContact O-CG 3.41Å; V632-E636 PolarHBondContact O-N 3.3Å
633R62.6Low64.9Low133 Ų13340.6 Ų40.650%0.50222%0.219SC..Hα-helixtrans-59.4-46.7177.1179.9-178172.1179.6-0.4112S629 Q630 V635 E636 E637S629-R633 WeakPolarHBondContact O-CB 3.27Å; S629-R633 PolarHBondContact O-N 3.29Å; Q630-R633 PolarHBondContact O-N 3.29Å; R633-V635 VanDerWaalsContact C-N 3.29Å; R633-V635 PolarHBondContact O-N 2.94Å; R633-E636 PolarHBondContact O-N 2.93Å; R633-E637 WeakPolarHBondContact CG-OE1 3.48Å; R633-E637 IonicContact CZ-OE1 2.8Å; R633-E637 IonicContact NE-OE1 3.98Å; R633-E637 PolarHBondContact NE-OE1 2.79Å; R633-E637 IonicContact NH2-OE1 2.65Å; R633-E637 WeakPolarHBondContact O-CB 3.45Å; R633-E637 WeakPolarHBondContact O-CG 3.25Å; R633-E637 PolarHBondContact O-N 3.41Å
634L60Low64.3Low7 Ų741.6 Ų41.64%0.03722%0.221CC..Hα-helixtrans-62-36.9178.2-70.6-177000112.2Q630 I631 V632 A638 L759 K761 I1066 V1072Q630-L634 WeakPolarHBondContact O-CB 3.2Å; Q630-L634 VanDerWaalsContact O-CG 3.26Å; Q630-L634 WeakPolarHBondContact O-CG 2.94Å; Q630-L634 PolarHBondContact O-N 3.43Å; I631-L634 PolarHBondContact O-N 2.91Å; V632-L634 PolarHBondContact O-N 3Å; L634-A638 WeakPolarHBondContact O-CB 3.31Å; L634-A638 PolarHBondContact O-N 2.9Å; L634-L759 HydrophobicContact CD1-CD1 4.48Å; L634-K761 HydrophobicContact CD2-CD 3.81Å; L634-K761 HydrophobicContact CD2-CG 4.27Å; L634-I1066 HydrophobicContact CD1-CG2 4.02Å; L634-V1072 HydrophobicContact CD1-CG2 4.15Å
635V59.8Low64.2Low14 Ų1438.7 Ų38.79%0.08520%0.201CC..Hα-helixtrans-72.4-37.2175.5175.90000111.6L524 I631 V632 R633 A638 Q639 L759L524-V635 HydrophobicContact CD1-CB 4.09Å; L524-V635 HydrophobicContact CD1-CG1 3.77Å; L524-V635 HydrophobicContact CD2-CG1 4.5Å; I631-V635 VanDerWaalsContact O-CG2 3.29Å; I631-V635 WeakPolarHBondContact O-CG2 3.44Å; I631-V635 PolarHBondContact O-N 3Å; V632-V635 PolarHBondContact O-N 3.38Å; R633-V635 VanDerWaalsContact C-N 3.29Å; R633-V635 PolarHBondContact O-N 2.94Å; V635-A638 WeakPolarHBondContact O-CB 3.43Å; V635-A638 PolarHBondContact O-N 2.86Å; V635-Q639 WeakPolarHBondContact O-CG 3.26Å; V635-Q639 PolarHBondContact O-N 3.01Å; V635-Q639 VanDerWaalsContact O-N 3.08Å; V635-L759 HydrophobicContact CG2-CD2 3.88Å
636E59.7Low64.1Low74 Ų7438.2 Ų38.235%0.34620%0.197SC..Hα-helixtrans-62.8-46.9173.1-74.6178.617300111.1L374 L524 V632 R633 A638 Q639 T640L374-E636 HydrophobicContact CD2-CG 4.29Å; L524-E636 HydrophobicContact CD2-CG 4.4Å; V632-E636 HydrophobicContact CG1-CG 4.42Å; V632-E636 WeakPolarHBondContact O-CG 3.41Å; V632-E636 PolarHBondContact O-N 3.3Å; R633-E636 PolarHBondContact O-N 2.93Å; E636-A638 VanDerWaalsContact C-N 3.27Å; E636-A638 PolarHBondContact O-N 3.12Å; E636-Q639 PolarHBondContact O-N 3.22Å; E636-Q639 VanDerWaalsContact O-N 3.11Å; E636-T640 WeakPolarHBondContact O-CG2 3.45Å; E636-T640 PolarHBondContact O-N 3.35Å
637E57.7Low63.6Low63 Ų6342.7 Ų42.729%0.29422%0.218SC..Hα-helixtrans-57.7-42.1174.3-73175.1-170.600110.7R633 Q639 T640 S641R633-E637 WeakPolarHBondContact CG-OE1 3.48Å; R633-E637 IonicContact CZ-OE1 2.8Å; R633-E637 IonicContact NE-OE1 3.98Å; R633-E637 PolarHBondContact NE-OE1 2.79Å; R633-E637 IonicContact NH2-OE1 2.65Å; R633-E637 WeakPolarHBondContact O-CB 3.45Å; R633-E637 WeakPolarHBondContact O-CG 3.25Å; R633-E637 PolarHBondContact O-N 3.41Å; E637-Q639 VanDerWaalsContact C-N 3.31Å; E637-Q639 PolarHBondContact O-N 2.83Å; E637-T640 PolarHBondContact O-N 3.32Å; E637-T640 VanDerWaalsContact O-N 3.13Å; E637-T640 PolarHBondContact O-OG1 3.29Å; E637-S641 PolarHBondContact O-N 3.21Å
638A54.3Low63.2Low4 Ų445 Ų453%0.03323%0.227CC..Hα-helixtrans-60.1-34.8175.100000115.3L634 V635 E636 T640 S641 I760 K761L634-A638 WeakPolarHBondContact O-CB 3.31Å; L634-A638 PolarHBondContact O-N 2.9Å; V635-A638 WeakPolarHBondContact O-CB 3.43Å; V635-A638 PolarHBondContact O-N 2.86Å; E636-A638 VanDerWaalsContact C-N 3.27Å; E636-A638 PolarHBondContact O-N 3.12Å; A638-T640 VanDerWaalsContact C-N 3.3Å; A638-S641 PolarHBondContact O-OG 2.87Å; A638-I760 WeakPolarHBondContact CB-O 3.42Å; A638-K761 VanDerWaalsContact CA-O 3.25Å; A638-K761 WeakPolarHBondContact CA-O 3.4Å; A638-K761 VanDerWaalsContact CB-C 3.42Å
639Q56.7Low62.7Low59 Ų5944.8 Ų44.828%0.27623%0.227SC..Hα-helixtrans-76.3-22.2179.1-71.5178.314.400112.4V635 E636 E637V635-Q639 WeakPolarHBondContact O-CG 3.26Å; V635-Q639 PolarHBondContact O-N 3.01Å; V635-Q639 VanDerWaalsContact O-N 3.08Å; E636-Q639 PolarHBondContact O-N 3.22Å; E636-Q639 VanDerWaalsContact O-N 3.11Å; E637-Q639 VanDerWaalsContact C-N 3.31Å; E637-Q639 PolarHBondContact O-N 2.83Å
640T56.3Low62.4Low62 Ų6246.6 Ų46.638%0.3824%0.235SC..Hα-helixtrans-86-24.9179.663.70000113.6I257 E636 E637 A638I257-T640 HydrophobicContact CD1-CG2 4.39Å; E636-T640 WeakPolarHBondContact O-CG2 3.45Å; E636-T640 PolarHBondContact O-N 3.35Å; E637-T640 PolarHBondContact O-N 3.32Å; E637-T640 VanDerWaalsContact O-N 3.13Å; E637-T640 PolarHBondContact O-OG1 3.29Å; A638-T640 VanDerWaalsContact C-N 3.3Å
641S55.9Low62.7Low44 Ų4450.2 Ų50.231%0.30825%0.252SS..SBendtrans-80.7125.4-177.859.70000112.2E637 A638 K761 G762E637-S641 PolarHBondContact O-N 3.21Å; A638-S641 PolarHBondContact O-OG 2.87Å; S641-K761 PolarHBondContact OG-O 2.96Å; S641-K761 VanDerWaalsContact OG-O 3.13Å; S641-G762 WeakPolarHBondContact OG-CA 3.29Å
642K59.8Low63.2Low57 Ų5752.6 Ų52.625%0.24826%0.264CS..PPolyproline II helixtrans-80.7137.1-178.9-65.9179.6-176.4171.80110.7
643A59.2Low63.4Low3 Ų352.3 Ų52.33%0.02526%0.263CS..PPolyproline II helixtrans-72.9148171.800000111.4V645 Q646 H647 T742 V746A643-V645 VanDerWaalsContact C-N 3.27Å; A643-V645 PolarHBondContact O-N 3.17Å; A643-Q646 WeakPolarHBondContact O-CA 3.41Å; A643-Q646 WeakPolarHBondContact O-CB 3.42Å; A643-Q646 PolarHBondContact O-N 2.95Å; A643-H647 PolarHBondContact O-N 3.48Å; A643-T742 HydrophobicContact CB-CG2 3.87Å; A643-V746 HydrophobicContact CB-CG2 4.49Å
644P62.9Low63.9Low49 Ų4952.6 Ų52.632%0.31826%0.264SS..Hα-helixtrans-53.8-41.3174.2-25.632.7000113Q646 H647 L648 E764 E767P644-Q646 PolarHBondContact O-N 3.17Å; P644-H647 WeakPolarHBondContact O-CB 3.42Å; P644-H647 PolarHBondContact O-N 2.93Å; P644-L648 PolarHBondContact O-N 2.93Å; P644-E764 HydrophobicContact CG-CB 4.23Å; P644-E764 HydrophobicContact CG-CG 3.98Å; P644-E767 WeakPolarHBondContact CB-OE2 3.42Å; P644-E767 WeakPolarHBondContact CD-OE2 3.34Å
645V68Low64.8Low27 Ų2758.9 Ų58.916%0.16430%0.297CS..Hα-helixtrans-61.8-26.6174.9168.90000113.2A643 L648 A649 T742 E767 I1095 F1099A643-V645 VanDerWaalsContact C-N 3.27Å; A643-V645 PolarHBondContact O-N 3.17Å; V645-L648 WeakPolarHBondContact O-CB 3.26Å; V645-L648 PolarHBondContact O-N 3.19Å; V645-A649 PolarHBondContact O-N 3.33Å; V645-A649 VanDerWaalsContact O-N 3.16Å; V645-T742 HydrophobicContact CB-CG2 4.39Å; V645-T742 HydrophobicContact CG1-CG2 4.32Å; V645-E767 VanDerWaalsContact CG2-OE1 3.25Å; V645-E767 WeakPolarHBondContact CG2-OE1 3.44Å; V645-E767 WeakPolarHBondContact CG2-OE2 3.37Å; V645-E767 PolarHBondContact N-OE2 3.26Å; V645-I1095 HydrophobicContact CG1-CG2 3.75Å; V645-F1099 HydrophobicContact CG1-CD2 4.22Å; V645-F1099 HydrophobicContact CG1-CE2 3.25Å; V645-F1099 HydrophobicContact CG1-CZ 3.65Å
646Q67.8Low65.9Low40 Ų4060.8 Ų60.819%0.18730%0.304CS..Hα-helixtrans-69.6-36.4172.7-173.2177-12.400111.6A643 P644 L648 A649 D650 T742A643-Q646 WeakPolarHBondContact O-CA 3.41Å; A643-Q646 WeakPolarHBondContact O-CB 3.42Å; A643-Q646 PolarHBondContact O-N 2.95Å; P644-Q646 PolarHBondContact O-N 3.17Å; Q646-L648 PolarHBondContact O-N 3.44Å; Q646-A649 WeakPolarHBondContact O-CB 3.39Å; Q646-A649 PolarHBondContact O-N 2.96Å; Q646-A649 VanDerWaalsContact O-N 3.14Å; Q646-D650 PolarHBondContact O-N 3.31Å; Q646-T742 HydrophobicContact CB-CG2 4.22Å
647H70.1Confident67Low104 Ų10457.3 Ų57.348%0.48129%0.288SS..Hα-helixtrans-61.6-35.5172.9-73.1-85.5000111.9A643 P644 D650 Q651A643-H647 PolarHBondContact O-N 3.48Å; P644-H647 WeakPolarHBondContact O-CB 3.42Å; P644-H647 PolarHBondContact O-N 2.93Å; H647-D650 PolarHBondContact O-N 2.78Å; H647-Q651 WeakPolarHBondContact O-CB 3.38Å; H647-Q651 PolarHBondContact O-N 3.1Å
648L67.3Low68.3Low92 Ų9256.7 Ų56.748%0.48229%0.289SS..Hα-helixtrans-63.4-45.4172.6-174.770.2000111.4P644 V645 Q646 D650 Q651 I652P644-L648 PolarHBondContact O-N 2.93Å; V645-L648 WeakPolarHBondContact O-CB 3.26Å; V645-L648 PolarHBondContact O-N 3.19Å; Q646-L648 PolarHBondContact O-N 3.44Å; L648-D650 VanDerWaalsContact C-N 3.33Å; L648-D650 PolarHBondContact O-N 2.86Å; L648-Q651 PolarHBondContact O-N 2.82Å; L648-I652 HydrophobicContact CD1-CD1 4.45Å; L648-I652 HydrophobicContact CG-CD1 3.95Å; L648-I652 VanDerWaalsContact O-CG1 3.26Å; L648-I652 WeakPolarHBondContact O-CG1 3.46Å; L648-I652 PolarHBondContact O-N 3.08Å
649A68.1Low69.9Low2 Ų258 Ų582%0.01730%0.303CS..Hα-helixtrans-59.8-42.117600000112.6V645 Q646 I652 S653 F1099V645-A649 PolarHBondContact O-N 3.33Å; V645-A649 VanDerWaalsContact O-N 3.16Å; Q646-A649 WeakPolarHBondContact O-CB 3.39Å; Q646-A649 PolarHBondContact O-N 2.96Å; Q646-A649 VanDerWaalsContact O-N 3.14Å; A649-I652 PolarHBondContact O-N 2.92Å; A649-S653 WeakPolarHBondContact O-CB 3.49Å; A649-S653 PolarHBondContact O-N 2.96Å; A649-S653 PolarHBondContact O-OG 3.17Å; A649-F1099 HydrophobicContact CB-CE1 3.99Å; A649-F1099 HydrophobicContact CB-CZ 3.9Å
650D65.8Low71.5Confident60 Ų6055.6 Ų55.632%0.32129%0.292SS..Hα-helixtrans-67.9-35.6177.6-73.8-14.8000111.9Q646 H647 L648 R654Q646-D650 PolarHBondContact O-N 3.31Å; H647-D650 PolarHBondContact O-N 2.78Å; L648-D650 VanDerWaalsContact C-N 3.33Å; L648-D650 PolarHBondContact O-N 2.86Å; D650-R654 PolarHBondContact O-N 2.92Å; D650-R654 VanDerWaalsContact O-N 3.1Å
651Q73Confident73Confident124 Ų12454.8 Ų54.858%0.57929%0.286SS*.Hα-helixtrans-68.5-45.5174.9-176.5175.4-6.800111.3H647 L648 S653 R654 L655H647-Q651 WeakPolarHBondContact O-CB 3.38Å; H647-Q651 PolarHBondContact O-N 3.1Å; L648-Q651 PolarHBondContact O-N 2.82Å; Q651-S653 VanDerWaalsContact C-N 3.34Å; Q651-S653 PolarHBondContact O-N 3.05Å; Q651-R654 PolarHBondContact O-N 2.92Å; Q651-L655 PolarHBondContact O-N 3.03Å
652I76Confident74.7Confident68 Ų6857.6 Ų57.635%0.34930%0.296SS..Hα-helixtrans-58.6-48.8174.8-68.4166.1000109.3L648 A649 R654 L655 F656 L738L648-I652 HydrophobicContact CD1-CD1 4.45Å; L648-I652 HydrophobicContact CG-CD1 3.95Å; L648-I652 VanDerWaalsContact O-CG1 3.26Å; L648-I652 WeakPolarHBondContact O-CG1 3.46Å; L648-I652 PolarHBondContact O-N 3.08Å; A649-I652 PolarHBondContact O-N 2.92Å; I652-R654 VanDerWaalsContact C-N 3.32Å; I652-R654 PolarHBondContact O-N 2.77Å; I652-L655 PolarHBondContact O-N 2.64Å; I652-L655 VanDerWaalsContact O-N 3.14Å; I652-F656 HydrophobicContact CG2-CB 4.46Å; I652-F656 WeakPolarHBondContact O-CB 3.48Å; I652-F656 PolarHBondContact O-N 2.65Å; I652-L738 HydrophobicContact CB-CD2 4.35Å; I652-L738 HydrophobicContact CG2-CD2 3.81Å
653S69.7Low76.1Confident12 Ų1257.5 Ų57.58%0.08430%0.3CS..Hα-helixtrans-59.7-40.1-179-59.30000112.6A649 Q651 L655 F656 V657A649-S653 WeakPolarHBondContact O-CB 3.49Å; A649-S653 PolarHBondContact O-N 2.96Å; A649-S653 PolarHBondContact O-OG 3.17Å; Q651-S653 VanDerWaalsContact C-N 3.34Å; Q651-S653 PolarHBondContact O-N 3.05Å; S653-L655 VanDerWaalsContact C-N 3.35Å; S653-L655 PolarHBondContact O-N 3.18Å; S653-F656 PolarHBondContact O-N 3.36Å; S653-V657 WeakPolarHBondContact O-CG2 3.45Å; S653-V657 PolarHBondContact O-N 2.8Å; S653-V657 VanDerWaalsContact O-N 3.15Å
654R72.7Confident77.6Confident140 Ų14058 Ų5853%0.52830%0.303SS..Hα-helixtrans-63.5-36.7176.5-97.4-176.7-69.8152.1-1.8113.6D650 Q651 I652 P658D650-R654 PolarHBondContact O-N 2.92Å; D650-R654 VanDerWaalsContact O-N 3.1Å; Q651-R654 PolarHBondContact O-N 2.92Å; I652-R654 VanDerWaalsContact C-N 3.32Å; I652-R654 PolarHBondContact O-N 2.77Å; R654-P658 WeakPolarHBondContact O-CD 3.44Å
655L80.3Confident78.9Confident139 Ų13961.1 Ų61.173%0.72832%0.315SS*.Hα-helixtrans-80.9-36.5177.3-178.961.2000111.7Q651 I652 S653 G659Q651-L655 PolarHBondContact O-N 3.03Å; I652-L655 PolarHBondContact O-N 2.64Å; I652-L655 VanDerWaalsContact O-N 3.14Å; S653-L655 VanDerWaalsContact C-N 3.35Å; S653-L655 PolarHBondContact O-N 3.18Å; L655-G659 PolarHBondContact O-N 3.33Å
656F83.4Confident80Confident53 Ų5364.8 Ų64.823%0.23233%0.333CS..Hα-helixtrans-70-42.6-172.7-175.9-112.4000112.3I652 S653 G659 V660 A733 P735 N1106 I1110I652-F656 HydrophobicContact CG2-CB 4.46Å; I652-F656 WeakPolarHBondContact O-CB 3.48Å; I652-F656 PolarHBondContact O-N 2.65Å; S653-F656 PolarHBondContact O-N 3.36Å; F656-G659 PolarHBondContact O-N 3.11Å; F656-V660 HydrophobicContact CD1-CG2 4.1Å; F656-V660 HydrophobicContact CD2-CG2 4.17Å; F656-V660 HydrophobicContact CE1-CG2 3.91Å; F656-V660 HydrophobicContact CE2-CG2 3.93Å; F656-V660 HydrophobicContact CG-CG2 4.24Å; F656-V660 HydrophobicContact CZ-CG2 3.8Å; F656-V660 VanDerWaalsContact O-CG2 3.23Å; F656-V660 WeakPolarHBondContact O-CG2 3.34Å; F656-V660 PolarHBondContact O-N 2.99Å; F656-A733 HydrophobicContact CE1-CB 4.46Å; F656-A733 WeakPolarHBondContact CE1-O 3.48Å; F656-A733 HydrophobicContact CZ-CB 4.34Å; F656-P735 HydrophobicContact CD1-CB 4.06Å; F656-P735 HydrophobicContact CD1-CG 3.85Å; F656-P735 HydrophobicContact CE1-CB 4.02Å; F656-P735 HydrophobicContact CE1-CG 4.09Å; F656-N1106 HydrophobicContact CZ-CB 4.44Å; F656-I1110 HydrophobicContact CE2-CD1 4.11Å; F656-I1110 HydrophobicContact CZ-CD1 3.87Å
657V82Confident80.9Confident1 Ų163.4 Ų63.41%0.00633%0.328CS..Hα-helixtrans-62.9-49.6-176.6-179.10000112.9V459 L464 S653 G659 V660 I661V459-V657 HydrophobicContact CB-CG1 4.46Å; V459-V657 HydrophobicContact CG1-CB 4.03Å; V459-V657 HydrophobicContact CG1-CG1 3.36Å; L464-V657 HydrophobicContact CB-CG1 4.49Å; L464-V657 HydrophobicContact CD1-CG1 4.23Å; S653-V657 WeakPolarHBondContact O-CG2 3.45Å; S653-V657 PolarHBondContact O-N 2.8Å; S653-V657 VanDerWaalsContact O-N 3.15Å; V657-G659 VanDerWaalsContact C-N 3.3Å; V657-G659 PolarHBondContact O-N 3.36Å; V657-V660 PolarHBondContact O-N 3.28Å; V657-I661 HydrophobicContact CG1-CD1 4.22Å; V657-I661 WeakPolarHBondContact O-CG1 3.48Å; V657-I661 PolarHBondContact O-N 3.25Å; V657-I661 VanDerWaalsContact O-N 3.14Å
658P85.1Confident81.8Confident51 Ų5162.6 Ų62.633%0.33132%0.32SS..Hα-helixtrans-60.6-39172.8-23.134.3000112.7R654 V660 I661 I662R654-P658 WeakPolarHBondContact O-CD 3.44Å; P658-V660 VanDerWaalsContact C-N 3.33Å; P658-V660 PolarHBondContact O-N 2.78Å; P658-I661 PolarHBondContact O-N 2.8Å; P658-I662 WeakPolarHBondContact O-CG1 3.27Å; P658-I662 PolarHBondContact O-N 3.11Å
659G88.6Confident82.9Confident32 Ų3262.2 Ų62.233%0.3332%0.318SS..Hα-helixtrans-58.5-43.6176.600000112.6L655 F656 V657 I662 V663L655-G659 PolarHBondContact O-N 3.33Å; F656-G659 PolarHBondContact O-N 3.11Å; V657-G659 VanDerWaalsContact C-N 3.3Å; V657-G659 PolarHBondContact O-N 3.36Å; G659-I662 PolarHBondContact O-N 3.49Å; G659-V663 VanDerWaalsContact O-CG2 3.31Å; G659-V663 WeakPolarHBondContact O-CG2 3.24Å; G659-V663 PolarHBondContact O-N 3.42Å
660V88.7Confident83.8Confident7 Ų764.2 Ų64.24%0.04234%0.335CS..Hα-helixtrans-65.8-41.4177.8167.90000111.9L464 F656 V657 P658 I662 V663 S664 L730 A733L464-V660 HydrophobicContact CD1-CG1 3.96Å; L464-V660 HydrophobicContact CD2-CG1 4.42Å; F656-V660 HydrophobicContact CD1-CG2 4.1Å; F656-V660 HydrophobicContact CD2-CG2 4.17Å; F656-V660 HydrophobicContact CE1-CG2 3.91Å; F656-V660 HydrophobicContact CE2-CG2 3.93Å; F656-V660 HydrophobicContact CG-CG2 4.24Å; F656-V660 HydrophobicContact CZ-CG2 3.8Å; F656-V660 VanDerWaalsContact O-CG2 3.23Å; F656-V660 WeakPolarHBondContact O-CG2 3.34Å; F656-V660 PolarHBondContact O-N 2.99Å; V657-V660 PolarHBondContact O-N 3.28Å; P658-V660 VanDerWaalsContact C-N 3.33Å; P658-V660 PolarHBondContact O-N 2.78Å; V660-I662 VanDerWaalsContact C-N 3.29Å; V660-I662 PolarHBondContact O-N 3.13Å; V660-V663 PolarHBondContact O-N 3.26Å; V660-S664 WeakPolarHBondContact O-CB 3.46Å; V660-S664 PolarHBondContact O-N 3.04Å; V660-L730 HydrophobicContact CG1-CD1 4.27Å; V660-A733 HydrophobicContact CB-CB 4.06Å; V660-A733 HydrophobicContact CG1-CB 3.28Å; V660-A733 HydrophobicContact CG2-CB 3.54Å
661I88.5Confident84.6Confident46 Ų4662 Ų6224%0.23632%0.322CS..Hα-helixtrans-61.4-42.2176.2-66.1167.6000110.1L464 L467 V657 P658 S664 M665 L730L464-I661 HydrophobicContact CD1-CG1 4.12Å; L467-I661 HydrophobicContact CD2-CD1 4.34Å; L467-I661 HydrophobicContact CD2-CG1 4.34Å; V657-I661 HydrophobicContact CG1-CD1 4.22Å; V657-I661 WeakPolarHBondContact O-CG1 3.48Å; V657-I661 PolarHBondContact O-N 3.25Å; V657-I661 VanDerWaalsContact O-N 3.14Å; P658-I661 PolarHBondContact O-N 2.8Å; I661-S664 PolarHBondContact O-N 2.96Å; I661-M665 WeakPolarHBondContact O-CB 3.38Å; I661-M665 WeakPolarHBondContact O-CG 3.49Å; I661-M665 PolarHBondContact O-N 3.42Å; I661-L730 HydrophobicContact CG1-CD1 4.33Å
662I91.4Very high85.3Confident102 Ų10256.8 Ų56.852%0.52330%0.298SS..Hα-helixtrans-62.4-46.3175-66.5164.7000110.7P658 G659 V660 S664 M665 L666P658-I662 WeakPolarHBondContact O-CG1 3.27Å; P658-I662 PolarHBondContact O-N 3.11Å; G659-I662 PolarHBondContact O-N 3.49Å; V660-I662 VanDerWaalsContact C-N 3.29Å; V660-I662 PolarHBondContact O-N 3.13Å; I662-S664 VanDerWaalsContact C-N 3.34Å; I662-S664 PolarHBondContact O-N 3.27Å; I662-M665 PolarHBondContact O-N 3.38Å; I662-L666 HydrophobicContact CG2-CD1 3.82Å; I662-L666 HydrophobicContact CG2-CG 4.24Å; I662-L666 WeakPolarHBondContact O-CB 3.09Å; I662-L666 VanDerWaalsContact O-CG 3.27Å; I662-L666 WeakPolarHBondContact O-CG 3.24Å; I662-L666 PolarHBondContact O-N 2.77Å
663V90Very high85.8Confident56 Ų5657.8 Ų57.834%0.33930%0.304SS..Hα-helixtrans-62.7-40.5178.3174.70000111.4G659 V660 L666 T667 V729 I1110G659-V663 VanDerWaalsContact O-CG2 3.31Å; G659-V663 WeakPolarHBondContact O-CG2 3.24Å; G659-V663 PolarHBondContact O-N 3.42Å; V660-V663 PolarHBondContact O-N 3.26Å; V663-L666 PolarHBondContact O-N 2.88Å; V663-T667 VanDerWaalsContact O-CB 3.29Å; V663-T667 WeakPolarHBondContact O-CB 3.1Å; V663-T667 PolarHBondContact O-N 3.37Å; V663-T667 PolarHBondContact O-OG1 3.3Å; V663-V729 HydrophobicContact CG1-CG1 4Å; V663-I1110 HydrophobicContact CG1-CG2 4.35Å
664S89.6Confident86.4Confident13 Ų1359.8 Ų59.89%0.09131%0.313CS..Hα-helixtrans-63.2-44.4176.2177.60000111.6V660 I661 I662 T667 W668 A726V660-S664 WeakPolarHBondContact O-CB 3.46Å; V660-S664 PolarHBondContact O-N 3.04Å; I661-S664 PolarHBondContact O-N 2.96Å; I662-S664 VanDerWaalsContact C-N 3.34Å; I662-S664 PolarHBondContact O-N 3.27Å; S664-T667 WeakPolarHBondContact O-CB 3.34Å; S664-T667 PolarHBondContact O-N 3.34Å; S664-W668 PolarHBondContact O-N 2.72Å; S664-A726 PolarHBondContact OG-O 3.27Å
665M91.3Very high86.7Confident114 Ų11453.1 Ų53.156%0.56229%0.288SS*.Hα-helixtrans-65.5-41.2175.1-73.2-65.7-166.600113I661 I662 T667 W668 L669I661-M665 WeakPolarHBondContact O-CB 3.38Å; I661-M665 WeakPolarHBondContact O-CG 3.49Å; I661-M665 PolarHBondContact O-N 3.42Å; I662-M665 PolarHBondContact O-N 3.38Å; M665-T667 VanDerWaalsContact C-N 3.33Å; M665-W668 PolarHBondContact O-N 2.89Å; M665-L669 WeakPolarHBondContact O-CB 3.49Å; M665-L669 PolarHBondContact O-N 2.76Å
666L91Very high86.8Confident104 Ų10451.5 Ų51.555%0.54528%0.275SS..Hα-helixtrans-65.5-38.2175.3-72.5174.4000111.5I662 V663 L669 A670I662-L666 HydrophobicContact CG2-CD1 3.82Å; I662-L666 HydrophobicContact CG2-CG 4.24Å; I662-L666 WeakPolarHBondContact O-CB 3.09Å; I662-L666 VanDerWaalsContact O-CG 3.27Å; I662-L666 WeakPolarHBondContact O-CG 3.24Å; I662-L666 PolarHBondContact O-N 2.77Å; V663-L666 PolarHBondContact O-N 2.88Å; L666-L669 PolarHBondContact O-N 2.84Å; L666-A670 WeakPolarHBondContact O-CB 3.43Å; L666-A670 PolarHBondContact O-N 3.43Å
667T87.2Confident86.8Confident12 Ų1255.6 Ų55.67%0.07430%0.298CS..Hα-helixtrans-63.4-48.1175.6-59.60000110.3V663 S664 M665 A670 W671 C725 V729 A1114V663-T667 VanDerWaalsContact O-CB 3.29Å; V663-T667 WeakPolarHBondContact O-CB 3.1Å; V663-T667 PolarHBondContact O-N 3.37Å; V663-T667 PolarHBondContact O-OG1 3.3Å; S664-T667 WeakPolarHBondContact O-CB 3.34Å; S664-T667 PolarHBondContact O-N 3.34Å; M665-T667 VanDerWaalsContact C-N 3.33Å; T667-A670 PolarHBondContact O-N 3.08Å; T667-W671 PolarHBondContact O-N 2.8Å; T667-C725 HydrophobicContact CG2-CB 3.87Å; T667-V729 HydrophobicContact CG2-CG2 4.3Å; T667-A1114 HydrophobicContact CG2-CB 4.38Å
668W88.9Confident86.5Confident87 Ų8757.9 Ų57.933%0.3331%0.311SS..Hα-helixtrans-56.1-52.7174.6179.272.1000111.5S664 M665 A670 W671 V672 F719 A726S664-W668 PolarHBondContact O-N 2.72Å; M665-W668 PolarHBondContact O-N 2.89Å; W668-A670 PolarHBondContact O-N 3.49Å; W668-W671 PolarHBondContact O-N 2.77Å; W668-V672 HydrophobicContact CD2-CG2 4.32Å; W668-V672 HydrophobicContact CZ2-CG2 4.3Å; W668-V672 VanDerWaalsContact O-CG2 3.28Å; W668-V672 WeakPolarHBondContact O-CG2 3.41Å; W668-V672 PolarHBondContact O-N 2.75Å; W668-F719 HydrophobicContact CZ2-CD1 4.13Å; W668-F719 AromaticContact CZ2-CE1 3.87Å; W668-F719 HydrophobicContact CZ2-CE1 3.87Å; W668-A726 HydrophobicContact CB-CB 3.8Å
669L90.6Very high86Confident84 Ų8456.9 Ų56.944%0.4430%0.304SS..Hα-helixtrans-62.9-42.1-178.6-175.564.8000112.2M665 L666 V672 I673M665-L669 WeakPolarHBondContact O-CB 3.49Å; M665-L669 PolarHBondContact O-N 2.76Å; L666-L669 PolarHBondContact O-N 2.84Å; L669-V672 PolarHBondContact O-N 2.91Å; L669-I673 HydrophobicContact CD1-CD1 4.21Å; L669-I673 HydrophobicContact CD1-CG1 4.47Å; L669-I673 HydrophobicContact CG-CD1 3.9Å; L669-I673 VanDerWaalsContact O-CG1 3.25Å; L669-I673 WeakPolarHBondContact O-CG1 3.5Å; L669-I673 PolarHBondContact O-N 2.9Å
670A85.8Confident85Confident43 Ų4360.7 Ų60.736%0.35531%0.313SS..Hα-helixtrans-61.3-45.3177.900000111.4L666 T667 W668 I673 I674L666-A670 WeakPolarHBondContact O-CB 3.43Å; L666-A670 PolarHBondContact O-N 3.43Å; T667-A670 PolarHBondContact O-N 3.08Å; W668-A670 PolarHBondContact O-N 3.49Å; A670-I673 PolarHBondContact O-N 2.74Å; A670-I674 WeakPolarHBondContact O-CB 3.34Å; A670-I674 WeakPolarHBondContact O-CD1 3.47Å; A670-I674 WeakPolarHBondContact O-CG1 3.43Å; A670-I674 PolarHBondContact O-N 3.24Å
671W83.9Confident84.1Confident15 Ų1563 Ų636%0.05732%0.322CS..Hα-helixtrans-69.4-34.9178-77.5117000113.3T667 W668 I674 G675 F721 A722 A1114 A1115 T1117T667-W671 PolarHBondContact O-N 2.8Å; W668-W671 PolarHBondContact O-N 2.77Å; W671-I674 HydrophobicContact CE3-CB 4.29Å; W671-I674 HydrophobicContact CE3-CD1 4.12Å; W671-I674 HydrophobicContact CE3-CG2 4.24Å; W671-I674 HydrophobicContact CH2-CD1 4.4Å; W671-I674 HydrophobicContact CZ3-CB 4.48Å; W671-I674 HydrophobicContact CZ3-CD1 4.04Å; W671-I674 HydrophobicContact CZ3-CG2 4.02Å; W671-G675 PolarHBondContact O-N 3.47Å; W671-F721 HydrophobicContact CD2-CD1 4.02Å; W671-F721 AromaticContact CD2-CE1 3.56Å; W671-F721 HydrophobicContact CD2-CE1 3.56Å; W671-F721 AromaticContact CE2-CE1 3.93Å; W671-F721 AromaticContact CE3-CD1 3.93Å; W671-F721 HydrophobicContact CE3-CD1 3.93Å; W671-F721 AromaticContact CE3-CE1 3.48Å; W671-F721 HydrophobicContact CE3-CE1 3.48Å; W671-F721 VanDerWaalsContact CE3-CE1 3.48Å; W671-F721 HydrophobicContact CG-CD1 4.26Å; W671-F721 HydrophobicContact CG-CE1 4.17Å; W671-F721 HydrophobicContact CH2-CE1 4.31Å; W671-F721 HydrophobicContact CZ2-CE1 4.3Å; W671-F721 AromaticContact CZ3-CE1 3.86Å; W671-F721 HydrophobicContact CZ3-CE1 3.86Å; W671-A722 HydrophobicContact CB-CB 3.54Å; W671-A1114 PolarHBondContact NE1-O 2.87Å; W671-A1114 VanDerWaalsContact NE1-O 3.14Å; W671-A1115 WeakPolarHBondContact CZ2-O 3.43Å; W671-T1117 HydrophobicContact CH2-CG2 3.08Å; W671-T1117 HydrophobicContact CZ2-CG2 3.64Å; W671-T1117 HydrophobicContact CZ3-CG2 3.83Å
672V85.7Confident83Confident14 Ų1460.8 Ų60.89%0.08531%0.311CS..Hα-helixtrans-61.3-49.1171.4170.70000110.4W668 L669 G675 F676 F719 A722W668-V672 HydrophobicContact CD2-CG2 4.32Å; W668-V672 HydrophobicContact CZ2-CG2 4.3Å; W668-V672 VanDerWaalsContact O-CG2 3.28Å; W668-V672 WeakPolarHBondContact O-CG2 3.41Å; W668-V672 PolarHBondContact O-N 2.75Å; L669-V672 PolarHBondContact O-N 2.91Å; V672-G675 PolarHBondContact O-N 2.84Å; V672-F676 HydrophobicContact CG1-CD2 3.66Å; V672-F676 HydrophobicContact CG1-CE2 3.6Å; V672-F676 VanDerWaalsContact O-CD2 3.23Å; V672-F676 WeakPolarHBondContact O-CD2 3.42Å; V672-F676 PolarHBondContact O-N 3.5Å; V672-F719 HydrophobicContact CG1-CE1 4.27Å; V672-F719 HydrophobicContact CG1-CZ 4.44Å; V672-F719 HydrophobicContact CG2-CD1 4.01Å; V672-F719 HydrophobicContact CG2-CE1 3.97Å; V672-A722 HydrophobicContact CG2-CB 3.68Å
673I86.6Confident81.8Confident89 Ų8962.8 Ų62.846%0.45631%0.312SS..Hα-helixtrans-61.8-47.2178.7-66.9165.5000111L669 A670 G675 F676 L677L669-I673 HydrophobicContact CD1-CD1 4.21Å; L669-I673 HydrophobicContact CD1-CG1 4.47Å; L669-I673 HydrophobicContact CG-CD1 3.9Å; L669-I673 VanDerWaalsContact O-CG1 3.25Å; L669-I673 WeakPolarHBondContact O-CG1 3.5Å; L669-I673 PolarHBondContact O-N 2.9Å; A670-I673 PolarHBondContact O-N 2.74Å; I673-G675 VanDerWaalsContact C-N 3.28Å; I673-G675 PolarHBondContact O-N 2.81Å; I673-F676 PolarHBondContact O-N 3.43Å; I673-L677 HydrophobicContact CG2-CD1 3.95Å; I673-L677 HydrophobicContact CG2-CG 4.46Å; I673-L677 VanDerWaalsContact O-CG 3.28Å; I673-L677 WeakPolarHBondContact O-CG 3.29Å; I673-L677 PolarHBondContact O-N 2.96Å
674I82.4Confident80.2Confident54 Ų5465.4 Ų65.428%0.27732%0.324SS..Hα-helixtrans-60.3-40.7178.1-68.7164.2000110.6A670 W671 L677 D678 K681A670-I674 WeakPolarHBondContact O-CB 3.34Å; A670-I674 WeakPolarHBondContact O-CD1 3.47Å; A670-I674 WeakPolarHBondContact O-CG1 3.43Å; A670-I674 PolarHBondContact O-N 3.24Å; W671-I674 HydrophobicContact CE3-CB 4.29Å; W671-I674 HydrophobicContact CE3-CD1 4.12Å; W671-I674 HydrophobicContact CE3-CG2 4.24Å; W671-I674 HydrophobicContact CH2-CD1 4.4Å; W671-I674 HydrophobicContact CZ3-CB 4.48Å; W671-I674 HydrophobicContact CZ3-CD1 4.04Å; W671-I674 HydrophobicContact CZ3-CG2 4.02Å; I674-L677 PolarHBondContact O-N 2.93Å; I674-D678 PolarHBondContact O-N 3.37Å; I674-K681 HydrophobicContact CG2-CD 4.48Å
675G79.1Confident78.6Confident0 Ų064.9 Ų64.90%032%0.32CS..Hα-helixtrans-65.9-40.3178.500000114.1W671 V672 I673 L677 D678 V679 I718W671-G675 PolarHBondContact O-N 3.47Å; V672-G675 PolarHBondContact O-N 2.84Å; I673-G675 VanDerWaalsContact C-N 3.28Å; I673-G675 PolarHBondContact O-N 2.81Å; G675-L677 VanDerWaalsContact C-N 3.32Å; G675-D678 CarbonylContact O-C 3.58Å; G675-V679 WeakPolarHBondContact O-CG2 2.98Å; G675-V679 PolarHBondContact O-N 3.13Å; G675-I718 WeakPolarHBondContact O-CD1 3.44Å
676F84Confident76.6Confident104 Ų10462.8 Ų62.846%0.45631%0.308SS..Hα-helixtrans-70.7-26.7174.6-82.9-70.8000113.2V672 I673 L710 I718 F719V672-F676 HydrophobicContact CG1-CD2 3.66Å; V672-F676 HydrophobicContact CG1-CE2 3.6Å; V672-F676 VanDerWaalsContact O-CD2 3.23Å; V672-F676 WeakPolarHBondContact O-CD2 3.42Å; V672-F676 PolarHBondContact O-N 3.5Å; I673-F676 PolarHBondContact O-N 3.43Å; F676-L710 HydrophobicContact CD1-CD2 3.61Å; F676-L710 HydrophobicContact CE1-CD2 3.34Å; F676-L710 HydrophobicContact CZ-CD2 4.5Å; F676-I718 HydrophobicContact CD1-CD1 4.44Å; F676-F719 HydrophobicContact CE2-CE2 4.28Å; F676-F719 HydrophobicContact CE2-CZ 4.25Å; F676-F719 HydrophobicContact CZ-CE2 4.17Å; F676-F719 HydrophobicContact CZ-CZ 4.47Å
677L83.3Confident74.2Confident139 Ų13960.7 Ų60.773%0.72831%0.312SS*.Hα-helixtrans-77.3-36.4175.5-71.1171.7000112.5I673 I674 G675I673-L677 HydrophobicContact CG2-CD1 3.95Å; I673-L677 HydrophobicContact CG2-CG 4.46Å; I673-L677 VanDerWaalsContact O-CG 3.28Å; I673-L677 WeakPolarHBondContact O-CG 3.29Å; I673-L677 PolarHBondContact O-N 2.96Å; I674-L677 PolarHBondContact O-N 2.93Å; G675-L677 VanDerWaalsContact C-N 3.32Å
678D75.5Confident71.8Confident50 Ų5061.7 Ų61.727%0.26732%0.324SS..  trans-158.990.2-172.7-166.8-16.6000111.6I674 G675 E680 K681I674-D678 PolarHBondContact O-N 3.37Å; G675-D678 CarbonylContact O-C 3.58Å; D678-E680 PolarHBondContact O-N 3.32Å; D678-E680 WeakPolarHBondContact OD1-CB 3.37Å; D678-E680 PolarHBondContact OD1-N 3.04Å; D678-K681 HydrophobicContact CB-CD 3.96Å; D678-K681 HydrophobicContact CB-CG 4.09Å; D678-K681 PolarHBondContact O-N 3.48Å; D678-K681 WeakPolarHBondContact OD2-CE 3.36Å; D678-K681 WeakPolarHBondContact OD2-CG 3.27Å; D678-K681 IonicContact OD2-NZ 2.71Å; D678-K681 PolarHBondContact OD2-NZ 2.91Å
679V73.2Confident69.5Low30 Ų3059.9 Ų59.918%0.18232%0.319CS..Hα-helixtrans-60.1-30.2-179.4-172.70000111.5G675 K681 I682 R683 L710 D714 I718G675-V679 WeakPolarHBondContact O-CG2 2.98Å; G675-V679 PolarHBondContact O-N 3.13Å; V679-K681 VanDerWaalsContact C-N 3.27Å; V679-K681 PolarHBondContact O-N 3.14Å; V679-I682 PolarHBondContact O-N 3.29Å; V679-I682 VanDerWaalsContact O-N 3.13Å; V679-R683 PolarHBondContact O-N 2.79Å; V679-L710 HydrophobicContact CG2-CD1 3.67Å; V679-D714 HydrophobicContact CG1-CB 4.02Å; V679-D714 HydrophobicContact CG2-CB 4.46Å; V679-I718 HydrophobicContact CG2-CD1 4.23Å
680E69.3Low66.9Low112 Ų11259 Ų5952%0.52332%0.32SS..Hα-helixtrans-65.3-30.8-179.1-62.4-167158.600112.2D678 I682 R683 N684D678-E680 PolarHBondContact O-N 3.32Å; D678-E680 WeakPolarHBondContact OD1-CB 3.37Å; D678-E680 PolarHBondContact OD1-N 3.04Å; E680-I682 VanDerWaalsContact C-N 3.31Å; E680-I682 PolarHBondContact O-N 3.2Å; E680-R683 PolarHBondContact O-N 3.31Å; E680-R683 IonicContact OE1-NH2 3.78Å; E680-N684 VanDerWaalsContact O-CB 3.25Å; E680-N684 WeakPolarHBondContact O-CB 3.49Å; E680-N684 PolarHBondContact O-N 2.92Å; E680-N684 PolarHBondContact O-ND2 3.36Å
681K68Low64.5Low55 Ų5565.3 Ų65.324%0.23934%0.344CS..Hα-helixtrans-63.7-37.5174.7-70.8-179.3178.91160112.3I674 D678 V679 S685 L1119 L1123I674-K681 HydrophobicContact CG2-CD 4.48Å; D678-K681 HydrophobicContact CB-CD 3.96Å; D678-K681 HydrophobicContact CB-CG 4.09Å; D678-K681 PolarHBondContact O-N 3.48Å; D678-K681 WeakPolarHBondContact OD2-CE 3.36Å; D678-K681 WeakPolarHBondContact OD2-CG 3.27Å; D678-K681 IonicContact OD2-NZ 2.71Å; D678-K681 PolarHBondContact OD2-NZ 2.91Å; V679-K681 VanDerWaalsContact C-N 3.27Å; V679-K681 PolarHBondContact O-N 3.14Å; K681-S685 WeakPolarHBondContact O-CB 3.36Å; K681-S685 PolarHBondContact O-N 3.34Å; K681-S685 VanDerWaalsContact O-N 3.07Å; K681-S685 PolarHBondContact O-OG 3.49Å; K681-L1119 HydrophobicContact CB-CD1 3.99Å; K681-L1119 HydrophobicContact CB-CD2 4.49Å; K681-L1119 HydrophobicContact CD-CD1 4.4Å; K681-L1119 HydrophobicContact CD-CD2 4.25Å; K681-L1119 HydrophobicContact CG-CD1 4Å; K681-L1123 HydrophobicContact CD-CD1 4.47Å; K681-L1123 VanDerWaalsContact CE-CD1 3.4Å
682I67.2Low62Low0 Ų073.4 Ų73.40%038%0.38CS..Hα-helixtrans-73.3-45.2175.8-63.8-171.4000109.9V679 E680 N684 S685 F686 L717 I718 F721V679-I682 PolarHBondContact O-N 3.29Å; V679-I682 VanDerWaalsContact O-N 3.13Å; E680-I682 VanDerWaalsContact C-N 3.31Å; E680-I682 PolarHBondContact O-N 3.2Å; I682-N684 VanDerWaalsContact C-N 3.34Å; I682-N684 PolarHBondContact O-N 3.13Å; I682-S685 WeakPolarHBondContact O-CB 3.34Å; I682-S685 PolarHBondContact O-N 2.83Å; I682-S685 VanDerWaalsContact O-N 3.1Å; I682-F686 PolarHBondContact O-N 3.05Å; I682-L717 HydrophobicContact CG2-CD2 4.32Å; I682-L717 HydrophobicContact CG2-CG 4.05Å; I682-I718 HydrophobicContact CD1-CB 4.23Å; I682-I718 HydrophobicContact CD1-CG1 4.02Å; I682-I718 HydrophobicContact CD1-CG2 4.15Å; I682-F721 HydrophobicContact CD1-CD1 4.35Å; I682-F721 HydrophobicContact CG1-CD1 4.41Å; I682-F721 HydrophobicContact CG2-CB 3.8Å; I682-F721 HydrophobicContact CG2-CD1 4.25Å; I682-F721 HydrophobicContact CG2-CG 3.94Å
683R64.5Low59.5Low143 Ų14376.1 Ų76.154%0.5439%0.394SS..Hα-helixtrans-59.5-42.9178.6-171.1164.267.2179.8-0.8112.4V679 E680 F686 G687V679-R683 PolarHBondContact O-N 2.79Å; E680-R683 PolarHBondContact O-N 3.31Å; E680-R683 IonicContact OE1-NH2 3.78Å; R683-F686 PolarHBondContact O-N 3.17Å; R683-G687 PolarHBondContact O-N 3.5Å
684N57.4Low56.7Low111 Ų11180.1 Ų80.159%0.59441%0.411SS*.Hα-helixtrans-70.3-31.7176.1-67.5-18000112.4E680 I682 G688E680-N684 VanDerWaalsContact O-CB 3.25Å; E680-N684 WeakPolarHBondContact O-CB 3.49Å; E680-N684 PolarHBondContact O-N 2.92Å; E680-N684 PolarHBondContact O-ND2 3.36Å; I682-N684 VanDerWaalsContact C-N 3.34Å; I682-N684 PolarHBondContact O-N 3.13Å; N684-G688 PolarHBondContact O-N 3.16Å
685S55.1Low54.3Low3 Ų382.8 Ų82.82%0.02143%0.431CS..Hα-helixtrans-67.2-45172.5-630000110.5K681 I682 G687 G688 H689K681-S685 WeakPolarHBondContact O-CB 3.36Å; K681-S685 PolarHBondContact O-N 3.34Å; K681-S685 VanDerWaalsContact O-N 3.07Å; K681-S685 PolarHBondContact O-OG 3.49Å; I682-S685 WeakPolarHBondContact O-CB 3.34Å; I682-S685 PolarHBondContact O-N 2.83Å; I682-S685 VanDerWaalsContact O-N 3.1Å; S685-G687 VanDerWaalsContact C-N 3.33Å; S685-G687 PolarHBondContact O-N 3.46Å; S685-G688 PolarHBondContact O-N 3.1Å; S685-G688 VanDerWaalsContact O-N 3.1Å; S685-H689 PolarHBondContact O-CD2 3.22Å; S685-H689 PolarHBondContact O-N 3.4Å
686F50.5Low52.1Low69 Ų6988.5 Ų88.530%0.30346%0.46SS..Hα-helixtrans-61.9-39.4177.1-131.9-89.6000112.1I682 R683 G688 H689 L717 F721I682-F686 PolarHBondContact O-N 3.05Å; R683-F686 PolarHBondContact O-N 3.17Å; F686-G688 PolarHBondContact O-N 3.47Å; F686-H689 PolarHBondContact O-N 3.33Å; F686-H689 VanDerWaalsContact O-N 3.14Å; F686-L717 HydrophobicContact CD2-CD1 4.11Å; F686-L717 HydrophobicContact CE2-CD1 4.37Å; F686-L717 HydrophobicContact CG-CD1 4.35Å; F686-F721 AromaticContact CD2-CD2 3.87Å; F686-F721 HydrophobicContact CD2-CD2 3.87Å; F686-F721 HydrophobicContact CE2-CD2 4.07Å
687G39.8Very low49.5Very low60 Ų6090.9 Ų90.962%0.61947%0.473SS*.Hα-helixtrans-65.7-15.8174.600000115R683 S685R683-G687 PolarHBondContact O-N 3.5Å; S685-G687 VanDerWaalsContact C-N 3.33Å; S685-G687 PolarHBondContact O-N 3.46Å
688G37Very low47.3Very low33 Ų3390.8 Ų90.834%0.3448%0.477SS..THydrogen-bonded Turntrans-97.2-4.6173.300000114.7N684 S685 F686N684-G688 PolarHBondContact O-N 3.16Å; S685-G688 PolarHBondContact O-N 3.1Å; S685-G688 VanDerWaalsContact O-N 3.1Å; F686-G688 PolarHBondContact O-N 3.47Å
689H40.1Very low45.1Very low49 Ų4995 Ų9523%0.22750%0.5CS..SBendtrans-87.5-2.5-176.7-86.8-68.9000114S685 F686 F721 N1116S685-H689 PolarHBondContact O-CD2 3.22Å; S685-H689 PolarHBondContact O-N 3.4Å; F686-H689 PolarHBondContact O-N 3.33Å; F686-H689 VanDerWaalsContact O-N 3.14Å; H689-F721 AromaticContact NE2-CE2 3.95Å; H689-N1116 PolarHBondContact CE1-OD1 3.04Å; H689-N1116 PolarHBondContact NE2-O 3.01Å
690C36.2Very low43.2Very low67 Ų67101.9 Ų101.945%0.45353%0.53SS..  trans-102.293.4162.2-68.30000108.7F692 L693C690-F692 PolarHBondContact O-N 3.43Å; C690-L693 HydrophobicContact CB-CB 3.77Å; C690-L693 HydrophobicContact CB-CD1 3.92Å; C690-L693 HydrophobicContact CB-CG 4.47Å; C690-L693 PolarHBondContact O-N 3.46Å
691M35.1Very low41.2Very low174 Ų174102.6 Ų102.686%0.85754%0.542SS*.THydrogen-bonded Turntrans-59.5-0.5171.1-168.8173.4177.500113.1
692F32.5Very low39.4Very low185 Ų185108.5 Ų108.581%0.81157%0.573SS**THydrogen-bonded Turntrans-130.712.4-176.9-74.6-79.5000115.2C690C690-F692 PolarHBondContact O-N 3.43Å
693L32.6Very low37.8Very low72 Ų72117 Ų11738%0.37761%0.612SS.*  trans-123.9120.4172.3-88.2130.2000110.8C690C690-L693 HydrophobicContact CB-CB 3.77Å; C690-L693 HydrophobicContact CB-CD1 3.92Å; C690-L693 HydrophobicContact CB-CG 4.47Å; C690-L693 PolarHBondContact O-N 3.46Å
694E28.8Very low36.2Very low173 Ų173119.2 Ų119.281%0.80863%0.628SS**  trans-54.1147.4168.3-72.6178.2149.800110.4I696E694-I696 PolarHBondContact O-N 2.9Å
695P32.3Very low35Very low109 Ų109121.3 Ų121.371%0.70864%0.639SS**  trans-64.5110.3173.128.4-31000107.4H697P695-H697 PolarHBondContact O-CD2 3.2Å; P695-H697 PolarHBondContact O-N 3.3Å
696I32Very low34.2Very low120 Ų120128.7 Ų128.762%0.61567%0.673SS**  trans-65.4109.9169.6-64174.3000106.5E694 V698E694-I696 PolarHBondContact O-N 2.9Å; I696-V698 VanDerWaalsContact C-N 3.32Å; I696-V698 PolarHBondContact O-N 3.26Å
697H30.3Very low33.8Very low155 Ų155135.3 Ų135.372%0.71870%0.702SS**  trans-57.296.2165.8-75.9-138.8000108P695 N699P695-H697 PolarHBondContact O-CD2 3.2Å; P695-H697 PolarHBondContact O-N 3.3Å; H697-N699 VanDerWaalsContact C-N 3.31Å; H697-N699 PolarHBondContact O-N 3.15Å
698V36.1Very low34.3Very low136 Ų136138.6 Ų138.682%0.82471%0.705SS**  trans-70.299.3162.6-177.80000106.2I696 H700I696-V698 VanDerWaalsContact C-N 3.32Å; I696-V698 PolarHBondContact O-N 3.26Å; V698-H700 PolarHBondContact O-N 3.4Å; V698-H700 VanDerWaalsContact O-N 3.15Å
699N28.8Very low35.1Very low140 Ų140144.2 Ų144.275%0.74972%0.722SS**  trans-53.5117.8170.5-78.7-35000109.6H697H697-N699 VanDerWaalsContact C-N 3.31Å; H697-N699 PolarHBondContact O-N 3.15Å
700H33.6Very low36.2Very low174 Ų174145.1 Ų145.181%0.80673%0.729SS**  trans21.6135.6131.9-112.1-89.2000118.3V698V698-H700 PolarHBondContact O-N 3.4Å; V698-H700 VanDerWaalsContact O-N 3.15Å
701T27.5Very low37.7Very low127 Ų127145.3 Ų145.378%0.77973%0.727SS**  trans100.872.6162.279.40000117.2
702M30.5Very low39.3Very low179 Ų179142.3 Ų142.388%0.88272%0.719SS**SBendtrans-151.3114.5135.6-92.9-146.6134.600110.6
703H33.3Very low41Very low177 Ų177136.6 Ų136.682%0.81971%0.706SS**  trans19106.3160.3-72.5-82.6000120D705H703-D705 PolarHBondContact O-N 2.92Å; H703-D705 VanDerWaalsContact O-N 3.16Å
704H31.5Very low42.9Very low191 Ų191135.1 Ų135.188%0.88470%0.699SS**  trans-46.9102.7141.4-99-91.5000110.8
705D31.6Very low45.2Very low154 Ų154129.7 Ų129.782%0.82467%0.674SS**  trans177.687.1144.7-107.5-15000111.2H703H703-D705 PolarHBondContact O-N 2.92Å; H703-D705 VanDerWaalsContact O-N 3.16Å
706H39.1Very low47.2Very low158 Ų158127.1 Ų127.173%0.73165%0.653SS**  trans176.1108.6139.1-113.2-64.4000109.1D708H706-D708 VanDerWaalsContact C-N 3.33Å; H706-D708 PolarHBondContact O-N 3.15Å
707K42.1Very low49.2Very low209 Ų209123.4 Ų123.491%0.90963%0.634SS**SBendtrans-84.87.9-176.9-107.9-179.3177179.80115.1
708D49.5Very low51.6Low129 Ų129116 Ų11669%0.6960%0.6SS**SBendtrans-130.26.7-158.7-67.9-30000117.4H706H706-D708 VanDerWaalsContact C-N 3.33Å; H706-D708 PolarHBondContact O-N 3.15Å
709H53.7Low53.9Low150 Ų150112.9 Ų112.969%0.69458%0.575SS**  trans-126.698.9-179.8-65.5-36.8000112.5T711H709-T711 PolarHBondContact O-N 3.16Å
710L62.5Low56.2Low69 Ų69107.6 Ų107.636%0.36155%0.546SS..  trans-56.3115.8166.2-171.271.2000108.8F676 V679 D714 I715 I718F676-L710 HydrophobicContact CD1-CD2 3.61Å; F676-L710 HydrophobicContact CE1-CD2 3.34Å; F676-L710 HydrophobicContact CZ-CD2 4.5Å; V679-L710 HydrophobicContact CG2-CD1 3.67Å; L710-D714 HydrophobicContact CD1-CB 3.73Å; L710-D714 HydrophobicContact CG-CB 4.29Å; L710-I715 HydrophobicContact CD2-CD1 3.91Å; L710-I715 HydrophobicContact CD2-CG1 3.39Å; L710-I715 HydrophobicContact CG-CD1 4.27Å; L710-I715 HydrophobicContact CG-CG1 3.69Å; L710-I718 HydrophobicContact CD1-CD1 4.31Å
711T67.7Low58.3Low70 Ų7099.4 Ų99.443%0.42951%0.508SS..  trans-75.3155.5-177.968.70000110.6H709 A713 D714 I715H709-T711 PolarHBondContact O-N 3.16Å; T711-A713 PolarHBondContact O-N 3.14Å; T711-D714 WeakPolarHBondContact CB-OD2 3.44Å; T711-D714 PolarHBondContact N-OD2 2.81Å; T711-D714 VanDerWaalsContact N-OD2 3.14Å; T711-D714 WeakPolarHBondContact O-CB 3.25Å; T711-D714 PolarHBondContact O-N 3.47Å; T711-D714 PolarHBondContact OG1-N 3.02Å; T711-D714 PolarHBondContact OG1-OD2 3.31Å; T711-I715 PolarHBondContact O-N 2.77Å; T711-I715 VanDerWaalsContact O-N 3.12Å
712T69.4Low61Low112 Ų11293.3 Ų93.369%0.68747%0.471SS*.Hα-helixtrans-57.5-31.9176.7-40.30000111.8I715 E716T712-I715 PolarHBondContact O-N 3.17Å; T712-E716 PolarHBondContact O-N 2.94Å
713A67.4Low63.6Low64 Ų6486.1 Ų86.153%0.52943%0.434SS..Hα-helixtrans-68.5-38.717500000112.8T711 I715 E716 L717T711-A713 PolarHBondContact O-N 3.14Å; A713-I715 VanDerWaalsContact C-N 3.34Å; A713-E716 PolarHBondContact O-N 3.06Å; A713-L717 PolarHBondContact O-N 3.47Å
714D72.7Confident65.7Low42 Ų4279 Ų7923%0.22540%0.403CS..Hα-helixtrans-65-40.8175.3-61.9-43.8000111.1V679 L710 T711 L717 I718V679-D714 HydrophobicContact CG1-CB 4.02Å; V679-D714 HydrophobicContact CG2-CB 4.46Å; L710-D714 HydrophobicContact CD1-CB 3.73Å; L710-D714 HydrophobicContact CG-CB 4.29Å; T711-D714 WeakPolarHBondContact CB-OD2 3.44Å; T711-D714 PolarHBondContact N-OD2 2.81Å; T711-D714 VanDerWaalsContact N-OD2 3.14Å; T711-D714 WeakPolarHBondContact O-CB 3.25Å; T711-D714 PolarHBondContact O-N 3.47Å; T711-D714 PolarHBondContact OG1-N 3.02Å; T711-D714 PolarHBondContact OG1-OD2 3.31Å; D714-L717 PolarHBondContact O-N 3.46Å; D714-I718 WeakPolarHBondContact O-CD1 3.21Å; D714-I718 WeakPolarHBondContact O-CG1 3.23Å; D714-I718 PolarHBondContact O-N 2.94Å
715I77.5Confident68.2Low58 Ų5870 Ų7030%0.29736%0.36SS..Hα-helixtrans-60.6-47.5175.3-62.9172.8000110.4L710 T711 T712 A713 L717 I718 F719L710-I715 HydrophobicContact CD2-CD1 3.91Å; L710-I715 HydrophobicContact CD2-CG1 3.39Å; L710-I715 HydrophobicContact CG-CD1 4.27Å; L710-I715 HydrophobicContact CG-CG1 3.69Å; T711-I715 PolarHBondContact O-N 2.77Å; T711-I715 VanDerWaalsContact O-N 3.12Å; T712-I715 PolarHBondContact O-N 3.17Å; A713-I715 VanDerWaalsContact C-N 3.34Å; I715-L717 VanDerWaalsContact C-N 3.33Å; I715-L717 PolarHBondContact O-N 3.06Å; I715-I718 PolarHBondContact O-N 2.82Å; I715-F719 HydrophobicContact CG2-CD2 3.66Å; I715-F719 HydrophobicContact CG2-CE2 3.68Å; I715-F719 VanDerWaalsContact O-CD2 3.3Å; I715-F719 WeakPolarHBondContact O-CD2 3.27Å; I715-F719 PolarHBondContact O-N 2.95Å; I715-F719 VanDerWaalsContact O-N 3.1Å
716E74.6Confident70.8Confident56 Ų5663 Ų6326%0.26232%0.324SS..Hα-helixtrans-58.3-44.4177.7-172.6-179.9167.800111.6T712 A713 F719 K720T712-E716 PolarHBondContact O-N 2.94Å; A713-E716 PolarHBondContact O-N 3.06Å; E716-F719 PolarHBondContact O-N 2.8Å; E716-K720 WeakPolarHBondContact O-CB 3.4Å; E716-K720 PolarHBondContact O-N 3.43Å
717L73.9Confident73Confident41 Ų4155.7 Ų55.722%0.21529%0.29CS..Hα-helixtrans-62.1-44.3178.3-176.766.1000112.4I682 F686 A713 D714 I715 K720 F721I682-L717 HydrophobicContact CG2-CD2 4.32Å; I682-L717 HydrophobicContact CG2-CG 4.05Å; F686-L717 HydrophobicContact CD2-CD1 4.11Å; F686-L717 HydrophobicContact CE2-CD1 4.37Å; F686-L717 HydrophobicContact CG-CD1 4.35Å; A713-L717 PolarHBondContact O-N 3.47Å; D714-L717 PolarHBondContact O-N 3.46Å; I715-L717 VanDerWaalsContact C-N 3.33Å; I715-L717 PolarHBondContact O-N 3.06Å; L717-K720 PolarHBondContact O-N 3.48Å; L717-F721 WeakPolarHBondContact O-CB 3.37Å; L717-F721 PolarHBondContact O-N 3.01Å
718I81Confident74.9Confident0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-59.9-52.6178.5-65.5160.2000110.3G675 F676 V679 I682 L710 D714 I715 K720 F721 A722G675-I718 WeakPolarHBondContact O-CD1 3.44Å; F676-I718 HydrophobicContact CD1-CD1 4.44Å; V679-I718 HydrophobicContact CG2-CD1 4.23Å; I682-I718 HydrophobicContact CD1-CB 4.23Å; I682-I718 HydrophobicContact CD1-CG1 4.02Å; I682-I718 HydrophobicContact CD1-CG2 4.15Å; L710-I718 HydrophobicContact CD1-CD1 4.31Å; D714-I718 WeakPolarHBondContact O-CD1 3.21Å; D714-I718 WeakPolarHBondContact O-CG1 3.23Å; D714-I718 PolarHBondContact O-N 2.94Å; I715-I718 PolarHBondContact O-N 2.82Å; I718-K720 PolarHBondContact O-N 3.36Å; I718-F721 PolarHBondContact O-N 2.72Å; I718-A722 WeakPolarHBondContact O-CB 3.5Å; I718-A722 PolarHBondContact O-N 3.46Å
719F84.1Confident76.7Confident71 Ų7139.6 Ų39.631%0.31121%0.214SC..Hα-helixtrans-64.9-40.5-178.6-82.2-71.4000111.7W668 V672 F676 I715 E716 A722 F723W668-F719 HydrophobicContact CZ2-CD1 4.13Å; W668-F719 AromaticContact CZ2-CE1 3.87Å; W668-F719 HydrophobicContact CZ2-CE1 3.87Å; V672-F719 HydrophobicContact CG1-CE1 4.27Å; V672-F719 HydrophobicContact CG1-CZ 4.44Å; V672-F719 HydrophobicContact CG2-CD1 4.01Å; V672-F719 HydrophobicContact CG2-CE1 3.97Å; F676-F719 HydrophobicContact CE2-CE2 4.28Å; F676-F719 HydrophobicContact CE2-CZ 4.25Å; F676-F719 HydrophobicContact CZ-CE2 4.17Å; F676-F719 HydrophobicContact CZ-CZ 4.47Å; I715-F719 HydrophobicContact CG2-CD2 3.66Å; I715-F719 HydrophobicContact CG2-CE2 3.68Å; I715-F719 VanDerWaalsContact O-CD2 3.3Å; I715-F719 WeakPolarHBondContact O-CD2 3.27Å; I715-F719 PolarHBondContact O-N 2.95Å; I715-F719 VanDerWaalsContact O-N 3.1Å; E716-F719 PolarHBondContact O-N 2.8Å; F719-A722 PolarHBondContact O-N 3.42Å; F719-F723 WeakPolarHBondContact O-CB 3.41Å; F719-F723 PolarHBondContact O-N 2.84Å
720K76.7Confident78.3Confident28 Ų2832.9 Ų32.912%0.12218%0.183CC..Hα-helixtrans-58.2-51176.1172.1173.8162.8148.30111.5M493 F495 E716 L717 I718 F723 D724M493-K720 HydrophobicContact CB-CD 3.86Å; M493-K720 VanDerWaalsContact CB-NZ 3.25Å; M493-K720 HydrophobicContact CG-CD 4.25Å; M493-K720 VanDerWaalsContact CG-NZ 3.29Å; M493-K720 PolarHBondContact SD-NZ 3.23Å; F495-K720 HydrophobicContact CE2-CG 4.4Å; F495-K720 HydrophobicContact CZ-CG 3.91Å; E716-K720 WeakPolarHBondContact O-CB 3.4Å; E716-K720 PolarHBondContact O-N 3.43Å; L717-K720 PolarHBondContact O-N 3.48Å; I718-K720 PolarHBondContact O-N 3.36Å; K720-F723 PolarHBondContact O-N 2.97Å; K720-D724 PolarHBondContact O-N 2.96Å
721F77.9Confident79.1Confident2 Ų230.1 Ų30.11%0.00917%0.171CC..Hα-helixtrans-63.9-46.3-178.7-175.7-101.1000111.7W671 I682 F686 H689 L717 I718 F723 D724 C725 T1117W671-F721 HydrophobicContact CD2-CD1 4.02Å; W671-F721 AromaticContact CD2-CE1 3.56Å; W671-F721 HydrophobicContact CD2-CE1 3.56Å; W671-F721 AromaticContact CE2-CE1 3.93Å; W671-F721 AromaticContact CE3-CD1 3.93Å; W671-F721 HydrophobicContact CE3-CD1 3.93Å; W671-F721 AromaticContact CE3-CE1 3.48Å; W671-F721 HydrophobicContact CE3-CE1 3.48Å; W671-F721 VanDerWaalsContact CE3-CE1 3.48Å; W671-F721 HydrophobicContact CG-CD1 4.26Å; W671-F721 HydrophobicContact CG-CE1 4.17Å; W671-F721 HydrophobicContact CH2-CE1 4.31Å; W671-F721 HydrophobicContact CZ2-CE1 4.3Å; W671-F721 AromaticContact CZ3-CE1 3.86Å; W671-F721 HydrophobicContact CZ3-CE1 3.86Å; I682-F721 HydrophobicContact CD1-CD1 4.35Å; I682-F721 HydrophobicContact CG1-CD1 4.41Å; I682-F721 HydrophobicContact CG2-CB 3.8Å; I682-F721 HydrophobicContact CG2-CD1 4.25Å; I682-F721 HydrophobicContact CG2-CG 3.94Å; F686-F721 AromaticContact CD2-CD2 3.87Å; F686-F721 HydrophobicContact CD2-CD2 3.87Å; F686-F721 HydrophobicContact CE2-CD2 4.07Å; H689-F721 AromaticContact NE2-CE2 3.95Å; L717-F721 WeakPolarHBondContact O-CB 3.37Å; L717-F721 PolarHBondContact O-N 3.01Å; I718-F721 PolarHBondContact O-N 2.72Å; F721-F723 VanDerWaalsContact C-N 3.27Å; F721-F723 PolarHBondContact O-N 3.48Å; F721-D724 PolarHBondContact O-N 3.18Å; F721-C725 PolarHBondContact O-N 3.16Å; F721-C725 VanDerWaalsContact O-N 3.12Å; F721-C725 PolarHBondContact O-SG 3.37Å; F721-C725 VanDerWaalsContact O-SG 3.39Å; F721-T1117 HydrophobicContact CZ-CG2 4.43Å
722A83.7Confident79.9Confident0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-59.7-39.8177.600000112.3W671 V672 I718 F719 A726W671-A722 HydrophobicContact CB-CB 3.54Å; V672-A722 HydrophobicContact CG2-CB 3.68Å; I718-A722 WeakPolarHBondContact O-CB 3.5Å; I718-A722 PolarHBondContact O-N 3.46Å; F719-A722 PolarHBondContact O-N 3.42Å; A722-A726 WeakPolarHBondContact O-CB 3.26Å; A722-A726 PolarHBondContact O-N 3.38Å; A722-A726 VanDerWaalsContact O-N 3.07Å
723F84.6Confident80.7Confident27 Ų2721.6 Ų21.612%0.11812%0.118CC..Hα-helixtrans-70.3-40.5179.8-171.7-109000112.5I471 Y475 F495 F719 K720 F721 A726 I727I471-F723 HydrophobicContact CG2-CE2 3.34Å; I471-F723 HydrophobicContact CG2-CZ 3.35Å; Y475-F723 HydrophobicContact CD1-CD1 4.3Å; Y475-F723 AromaticContact CD1-CE1 3.71Å; Y475-F723 HydrophobicContact CD1-CE1 3.71Å; Y475-F723 HydrophobicContact CD1-CZ 4.18Å; Y475-F723 HydrophobicContact CD2-CE1 4.34Å; Y475-F723 HydrophobicContact CD2-CE2 4.49Å; Y475-F723 HydrophobicContact CD2-CZ 4.12Å; Y475-F723 HydrophobicContact CE1-CD1 4.38Å; Y475-F723 HydrophobicContact CE1-CE1 4.23Å; Y475-F723 AromaticContact CG-CE1 3.75Å; Y475-F723 HydrophobicContact CG-CE1 3.75Å; Y475-F723 AromaticContact CG-CZ 3.72Å; Y475-F723 HydrophobicContact CG-CZ 3.72Å; F495-F723 AromaticContact CD2-CD1 3.98Å; F495-F723 HydrophobicContact CD2-CD1 3.98Å; F495-F723 AromaticContact CD2-CE1 3.91Å; F495-F723 HydrophobicContact CD2-CE1 3.91Å; F495-F723 AromaticContact CE2-CD1 3.55Å; F495-F723 HydrophobicContact CE2-CD1 3.55Å; F495-F723 AromaticContact CE2-CE1 3.97Å; F495-F723 HydrophobicContact CE2-CE1 3.97Å; F495-F723 HydrophobicContact CG-CE1 4.49Å; F495-F723 AromaticContact CZ-CD1 3.88Å; F495-F723 HydrophobicContact CZ-CD1 3.88Å; F719-F723 WeakPolarHBondContact O-CB 3.41Å; F719-F723 PolarHBondContact O-N 2.84Å; K720-F723 PolarHBondContact O-N 2.97Å; F721-F723 VanDerWaalsContact C-N 3.27Å; F721-F723 PolarHBondContact O-N 3.48Å; F723-A726 PolarHBondContact O-N 3.22Å; F723-I727 HydrophobicContact CD1-CD1 3.37Å; F723-I727 HydrophobicContact CD1-CG1 4.45Å; F723-I727 HydrophobicContact CD2-CD1 4.36Å; F723-I727 HydrophobicContact CE1-CD1 3.14Å; F723-I727 HydrophobicContact CE1-CG1 4.36Å; F723-I727 HydrophobicContact CE2-CD1 4.16Å; F723-I727 HydrophobicContact CG-CD1 4.01Å; F723-I727 HydrophobicContact CZ-CD1 3.6Å; F723-I727 WeakPolarHBondContact O-CG1 3.42Å; F723-I727 PolarHBondContact O-N 3.46Å
724D79.1Confident81.2Confident29 Ų2918.7 Ų18.716%0.1559%0.094CC..Hα-helixtrans-63.7-44.2176.8-169.735.7000112F495 K720 F721 A726 I727 T728 P1146F495-D724 HydrophobicContact CE1-CB 4.01Å; F495-D724 HydrophobicContact CZ-CB 4.27Å; K720-D724 PolarHBondContact O-N 2.96Å; F721-D724 PolarHBondContact O-N 3.18Å; D724-A726 VanDerWaalsContact C-N 3.34Å; D724-A726 PolarHBondContact O-N 2.86Å; D724-I727 PolarHBondContact O-N 3.41Å; D724-T728 WeakPolarHBondContact O-CB 3.45Å; D724-T728 PolarHBondContact O-N 3.46Å; D724-T728 PolarHBondContact O-OG1 3.13Å; D724-P1146 WeakPolarHBondContact OD1-CD 3.06Å; D724-P1146 VanDerWaalsContact OD1-CG 3.3Å; D724-P1146 WeakPolarHBondContact OD1-CG 3.24Å
725C82.8Confident81.3Confident0 Ų016.8 Ų16.80%08%0.084CC..Hα-helixtrans-59.5-44.8172.4-67.30000111.4T667 F721 T728 V729 N1116T667-C725 HydrophobicContact CG2-CB 3.87Å; F721-C725 PolarHBondContact O-N 3.16Å; F721-C725 VanDerWaalsContact O-N 3.12Å; F721-C725 PolarHBondContact O-SG 3.37Å; F721-C725 VanDerWaalsContact O-SG 3.39Å; C725-T728 PolarHBondContact O-N 3Å; C725-V729 WeakPolarHBondContact O-CG2 3.09Å; C725-V729 PolarHBondContact O-N 3.48Å; C725-N1116 VanDerWaalsContact SG-CB 3.56Å; C725-N1116 PolarHBondContact SG-ND2 3.24Å; C725-N1116 VanDerWaalsContact SG-ND2 3.35Å
726A87Confident81Confident7 Ų714.9 Ų14.96%0.0588%0.076CC..Hα-helixtrans-64.6-42.9-179.200000112.7S664 W668 A722 F723 D724 V729 L730S664-A726 PolarHBondContact OG-O 3.27Å; W668-A726 HydrophobicContact CB-CB 3.8Å; A722-A726 WeakPolarHBondContact O-CB 3.26Å; A722-A726 PolarHBondContact O-N 3.38Å; A722-A726 VanDerWaalsContact O-N 3.07Å; F723-A726 PolarHBondContact O-N 3.22Å; D724-A726 VanDerWaalsContact C-N 3.34Å; D724-A726 PolarHBondContact O-N 2.86Å; A726-V729 PolarHBondContact O-N 2.98Å; A726-L730 PolarHBondContact O-N 3Å; A726-L730 VanDerWaalsContact O-N 3.09Å
727I84.1Confident81.2Confident5 Ų512.2 Ų12.23%0.0266%0.063CC..Hα-helixtrans-67.4-40.7175.6-71.3163.5000111S472 V498 F723 D724 V729 L730 A731 P1146S472-I727 VanDerWaalsContact OG-CD1 3.24Å; S472-I727 WeakPolarHBondContact OG-CD1 3.43Å; V498-I727 HydrophobicContact CG1-CG2 4Å; F723-I727 HydrophobicContact CD1-CD1 3.37Å; F723-I727 HydrophobicContact CD1-CG1 4.45Å; F723-I727 HydrophobicContact CD2-CD1 4.36Å; F723-I727 HydrophobicContact CE1-CD1 3.14Å; F723-I727 HydrophobicContact CE1-CG1 4.36Å; F723-I727 HydrophobicContact CE2-CD1 4.16Å; F723-I727 HydrophobicContact CG-CD1 4.01Å; F723-I727 HydrophobicContact CZ-CD1 3.6Å; F723-I727 WeakPolarHBondContact O-CG1 3.42Å; F723-I727 PolarHBondContact O-N 3.46Å; D724-I727 PolarHBondContact O-N 3.41Å; I727-V729 VanDerWaalsContact C-N 3.33Å; I727-V729 PolarHBondContact O-N 2.81Å; I727-L730 CarbonylContact O-C 3.57Å; I727-L730 WeakPolarHBondContact O-CA 3.23Å; I727-L730 WeakPolarHBondContact O-CB 3.42Å; I727-L730 PolarHBondContact O-N 3.32Å; I727-A731 WeakPolarHBondContact O-CB 3.48Å; I727-A731 PolarHBondContact O-N 2.85Å; I727-P1146 HydrophobicContact CG2-CB 4.35Å; I727-P1146 HydrophobicContact CG2-CG 4.29Å
728T83.6Confident81.3Confident0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-60.2-44.5177.2-59.10000110.9D724 C725 L730 A731 I732 A1113 L1144 P1146 A1149D724-T728 WeakPolarHBondContact O-CB 3.45Å; D724-T728 PolarHBondContact O-N 3.46Å; D724-T728 PolarHBondContact O-OG1 3.13Å; C725-T728 PolarHBondContact O-N 3Å; T728-L730 VanDerWaalsContact C-N 3.28Å; T728-L730 PolarHBondContact O-N 3.42Å; T728-A731 PolarHBondContact O-N 3.09Å; T728-I732 WeakPolarHBondContact O-CG2 3.25Å; T728-I732 PolarHBondContact O-N 3.31Å; T728-A1113 HydrophobicContact CG2-CB 3.52Å; T728-L1144 HydrophobicContact CG2-CB 3.98Å; T728-L1144 HydrophobicContact CG2-CD2 3.92Å; T728-L1144 HydrophobicContact CG2-CG 4.04Å; T728-L1144 WeakPolarHBondContact CG2-O 3.23Å; T728-P1146 VanDerWaalsContact OG1-CD 3.26Å; T728-P1146 WeakPolarHBondContact OG1-CD 3.33Å; T728-P1146 WeakPolarHBondContact OG1-CG 3.47Å; T728-A1149 HydrophobicContact CG2-CB 4.36Å
729V86.9Confident80.8Confident0 Ų012.1 Ų12.10%07%0.069CC..Hα-helixtrans-58.4-42173.2168.90000111.1V663 T667 C725 A726 I727 A733 A1113 A1114V663-V729 HydrophobicContact CG1-CG1 4Å; T667-V729 HydrophobicContact CG2-CG2 4.3Å; C725-V729 WeakPolarHBondContact O-CG2 3.09Å; C725-V729 PolarHBondContact O-N 3.48Å; A726-V729 PolarHBondContact O-N 2.98Å; I727-V729 VanDerWaalsContact C-N 3.33Å; I727-V729 PolarHBondContact O-N 2.81Å; V729-A733 WeakPolarHBondContact O-CB 3.33Å; V729-A733 PolarHBondContact O-N 2.81Å; V729-A1113 HydrophobicContact CG2-CB 3.74Å; V729-A1114 HydrophobicContact CG2-CB 3.94Å
730L86.4Confident80.3Confident9 Ų98.9 Ų8.95%0.0476%0.055CC..Hα-helixtrans-66.2-38.5179-15571.1000111.9L464 L467 A468 V660 I661 A726 I727 T728L464-L730 HydrophobicContact CD1-CD1 3.28Å; L464-L730 HydrophobicContact CD1-CG 3.78Å; L464-L730 VanDerWaalsContact CD2-O 3.29Å; L464-L730 WeakPolarHBondContact CD2-O 3.36Å; L464-L730 HydrophobicContact CG-CD1 4.1Å; L464-L730 HydrophobicContact CG-CG 4.04Å; L467-L730 HydrophobicContact CB-CD2 4.43Å; L467-L730 HydrophobicContact CD2-CD2 4.26Å; L467-L730 HydrophobicContact CG-CD2 4.32Å; A468-L730 HydrophobicContact CB-CB 4.48Å; A468-L730 HydrophobicContact CB-CD2 3.54Å; A468-L730 HydrophobicContact CB-CG 4.15Å; V660-L730 HydrophobicContact CG1-CD1 4.27Å; I661-L730 HydrophobicContact CG1-CD1 4.33Å; A726-L730 PolarHBondContact O-N 3Å; A726-L730 VanDerWaalsContact O-N 3.09Å; I727-L730 CarbonylContact O-C 3.57Å; I727-L730 WeakPolarHBondContact O-CA 3.23Å; I727-L730 WeakPolarHBondContact O-CB 3.42Å; I727-L730 PolarHBondContact O-N 3.32Å; T728-L730 VanDerWaalsContact C-N 3.28Å; T728-L730 PolarHBondContact O-N 3.42Å
731A80.4Confident80.5Confident11 Ų117.6 Ų7.69%0.0915%0.05CC..Hα-helixtrans-72.3-46.9-179.100000113.1L502 I727 T728 A733 C734 A1149L502-A731 HydrophobicContact CD2-CB 3.6Å; I727-A731 WeakPolarHBondContact O-CB 3.48Å; I727-A731 PolarHBondContact O-N 2.85Å; T728-A731 PolarHBondContact O-N 3.09Å; A731-A733 PolarHBondContact O-N 2.82Å; A731-C734 PolarHBondContact O-N 2.85Å; A731-A1149 HydrophobicContact CB-CB 3.95Å
732I84.9Confident80.6Confident2 Ų27.5 Ų7.51%0.015%0.049CC..Hα-helixtrans-71.3-20.3-177.3-166.745.7000112.6T728 C734 N1106 I1110 A1113 L1144 A1149 A1152 M1153T728-I732 WeakPolarHBondContact O-CG2 3.25Å; T728-I732 PolarHBondContact O-N 3.31Å; I732-C734 VanDerWaalsContact C-N 3.33Å; I732-C734 PolarHBondContact O-N 2.94Å; I732-N1106 PolarHBondContact O-OD1 2.91Å; I732-I1110 HydrophobicContact CG2-CG1 3.9Å; I732-A1113 HydrophobicContact CG2-CB 4.04Å; I732-L1144 HydrophobicContact CB-CD2 4.1Å; I732-L1144 HydrophobicContact CD1-CD2 4.36Å; I732-L1144 HydrophobicContact CG1-CD2 3.92Å; I732-A1149 HydrophobicContact CB-CB 3.65Å; I732-A1149 HydrophobicContact CD1-CB 4.16Å; I732-A1149 HydrophobicContact CG1-CB 4.31Å; I732-A1152 HydrophobicContact CD1-CB 3.87Å; I732-M1153 VanDerWaalsContact O-SD 3.38Å
733A84.7Confident80.2Confident1 Ų19 Ų91%0.0086%0.059CC..THydrogen-bonded Turntrans-88.713.8-177.700000113.7F656 V660 V729 A731 P735 I1110F656-A733 HydrophobicContact CE1-CB 4.46Å; F656-A733 WeakPolarHBondContact CE1-O 3.48Å; F656-A733 HydrophobicContact CZ-CB 4.34Å; V660-A733 HydrophobicContact CB-CB 4.06Å; V660-A733 HydrophobicContact CG1-CB 3.28Å; V660-A733 HydrophobicContact CG2-CB 3.54Å; V729-A733 WeakPolarHBondContact O-CB 3.33Å; V729-A733 PolarHBondContact O-N 2.81Å; A731-A733 PolarHBondContact O-N 2.82Å; A733-P735 WeakPolarHBondContact O-CD 3.18Å; A733-I1110 HydrophobicContact CB-CD1 3.88Å; A733-I1110 HydrophobicContact CB-CG1 4.03Å
734C78.3Confident79.9Confident4 Ų47.9 Ų7.93%0.0275%0.054CC..  trans-64125.7169.6-172.80000109.5A731 I732 C736 N1106 M1153A731-C734 PolarHBondContact O-N 2.85Å; I732-C734 VanDerWaalsContact C-N 3.33Å; I732-C734 PolarHBondContact O-N 2.94Å; C734-C736 HydrophobicContact CB-CB 4.32Å; C734-C736 WeakPolarHBondContact CB-SG 3.03Å; C734-C736 PolarHBondContact O-N 2.85Å; C734-C736 VanDerWaalsContact O-N 3.14Å; C734-C736 WeakPolarHBondContact SG-CB 3.43Å; C734-C736 PolarHBondContact SG-N 3.32Å; C734-C736 CovalentContact SG-SG 2.08Å; C734-C736 PolarHBondContact SG-SG 3.06Å; C734-N1106 PolarHBondContact O-ND2 3.3Å; C734-N1106 VanDerWaalsContact O-ND2 3.13Å; C734-M1153 HydrophobicContact CB-CE 3.99Å; C734-M1153 HydrophobicContact CB-CG 4.36Å; C734-M1153 HydrophobicContact CB-SD 4.33Å; C734-M1153 WeakPolarHBondContact O-CE 3.29Å
735P74Confident80.2Confident2 Ų26.5 Ų6.51%0.0135%0.047CC..  trans-85.732.7171.633-30.9000112.2M461 F656 A733 S737 L738 G739M461-P735 HydrophobicContact CE-CB 4.17Å; M461-P735 HydrophobicContact CE-CG 3.73Å; M461-P735 WeakPolarHBondContact CE-O 3.27Å; M461-P735 HydrophobicContact CG-CG 3.85Å; M461-P735 HydrophobicContact SD-CB 4.48Å; M461-P735 HydrophobicContact SD-CG 3.79Å; F656-P735 HydrophobicContact CD1-CB 4.06Å; F656-P735 HydrophobicContact CD1-CG 3.85Å; F656-P735 HydrophobicContact CE1-CB 4.02Å; F656-P735 HydrophobicContact CE1-CG 4.09Å; A733-P735 WeakPolarHBondContact O-CD 3.18Å; P735-S737 VanDerWaalsContact C-N 3.28Å; P735-S737 PolarHBondContact O-N 2.96Å; P735-S737 VanDerWaalsContact O-N 3.17Å; P735-L738 HydrophobicContact CB-CB 4.01Å; P735-L738 HydrophobicContact CB-CD2 4.16Å; P735-L738 VanDerWaalsContact O-CB 3.22Å; P735-L738 WeakPolarHBondContact O-CB 3.48Å; P735-L738 PolarHBondContact O-N 2.97Å; P735-G739 PolarHBondContact O-N 2.82Å
736C71.3Confident80.3Confident18 Ų187.2 Ų7.212%0.1225%0.051CC..THydrogen-bonded Turntrans-51.8-42.8-172.3-700000112.7C734 M1153C734-C736 HydrophobicContact CB-CB 4.32Å; C734-C736 WeakPolarHBondContact CB-SG 3.03Å; C734-C736 PolarHBondContact O-N 2.85Å; C734-C736 VanDerWaalsContact O-N 3.14Å; C734-C736 WeakPolarHBondContact SG-CB 3.43Å; C734-C736 PolarHBondContact SG-N 3.32Å; C734-C736 CovalentContact SG-SG 2.08Å; C734-C736 PolarHBondContact SG-SG 3.06Å; C736-M1153 HydrophobicContact CB-CE 3.93Å
737S78.7Confident79.8Confident0 Ų07.9 Ų7.90%05%0.053CC..THydrogen-bonded Turntrans-77.4-23.2178.551.90000114P735 L740 A741 A1102 S1156P735-S737 VanDerWaalsContact C-N 3.28Å; P735-S737 PolarHBondContact O-N 2.96Å; P735-S737 VanDerWaalsContact O-N 3.17Å; S737-L740 WeakPolarHBondContact O-CB 3.44Å; S737-L740 PolarHBondContact O-N 3.36Å; S737-A741 PolarHBondContact O-N 2.93Å; S737-A741 VanDerWaalsContact O-N 3.16Å; S737-A1102 WeakPolarHBondContact OG-CA 3.35Å; S737-A1102 WeakPolarHBondContact OG-CB 3.47Å; S737-S1156 WeakPolarHBondContact CB-OG 3.48Å; S737-S1156 PolarHBondContact OG-OG 2.98Å
738L77.8Confident79.8Confident11 Ų117.9 Ų7.96%0.0585%0.054CC..THydrogen-bonded Turntrans-67.2-42.3179.4-167.770.4000111.4I652 P735 L740 A741 F1099 A1102I652-L738 HydrophobicContact CB-CD2 4.35Å; I652-L738 HydrophobicContact CG2-CD2 3.81Å; P735-L738 HydrophobicContact CB-CB 4.01Å; P735-L738 HydrophobicContact CB-CD2 4.16Å; P735-L738 VanDerWaalsContact O-CB 3.22Å; P735-L738 WeakPolarHBondContact O-CB 3.48Å; P735-L738 PolarHBondContact O-N 2.97Å; L738-L740 PolarHBondContact O-N 3.43Å; L738-A741 PolarHBondContact O-N 2.85Å; L738-F1099 HydrophobicContact CD1-CD1 3.28Å; L738-F1099 HydrophobicContact CD1-CE1 3.51Å; L738-F1099 HydrophobicContact CD1-CG 4.36Å; L738-F1099 HydrophobicContact CG-CD1 4.31Å; L738-F1099 HydrophobicContact CG-CE1 4.06Å; L738-A1102 HydrophobicContact CB-CB 4.2Å; L738-A1102 HydrophobicContact CD1-CB 4.04Å
739G68.9Low80Confident27 Ų277.9 Ų7.928%0.2785%0.054SC..THydrogen-bonded Turntrans-67.5-17.4175.300000113.6P735 P743P735-G739 PolarHBondContact O-N 2.82Å; G739-P743 VanDerWaalsContact O-CD 3.26Å; G739-P743 WeakPolarHBondContact O-CD 2.86Å; G739-P743 WeakPolarHBondContact O-CG 3.49Å
740L73.7Confident79.8Confident4 Ų48.2 Ų8.22%0.0216%0.056CC..THydrogen-bonded Turntrans-92.1-25.3179.9-77.9165.7000114.1E513 S737 L738 T742 P743 T744 V1160E513-L740 HydrophobicContact CB-CD1 3.79Å; E513-L740 HydrophobicContact CB-CD2 3.88Å; E513-L740 HydrophobicContact CB-CG 4.45Å; E513-L740 HydrophobicContact CG-CD1 4.11Å; E513-L740 HydrophobicContact CG-CD2 3.36Å; E513-L740 HydrophobicContact CG-CG 4.26Å; E513-L740 WeakPolarHBondContact OE1-CD2 3.45Å; S737-L740 WeakPolarHBondContact O-CB 3.44Å; S737-L740 PolarHBondContact O-N 3.36Å; L738-L740 PolarHBondContact O-N 3.43Å; L740-T742 VanDerWaalsContact C-N 3.27Å; L740-T742 PolarHBondContact O-N 3.32Å; L740-P743 WeakPolarHBondContact O-CD 3.48Å; L740-T744 HydrophobicContact CB-CG2 4.38Å; L740-T744 HydrophobicContact CD2-CG2 3.83Å; L740-T744 WeakPolarHBondContact O-CB 3.42Å; L740-T744 WeakPolarHBondContact O-CG2 3.42Å; L740-T744 PolarHBondContact O-N 3.46Å; L740-T744 PolarHBondContact O-OG1 3.02Å; L740-V1160 HydrophobicContact CB-CG1 4.27Å
741A81.1Confident79.4Confident0 Ų08.4 Ų8.40%06%0.06CC..Hα-helixtrans-52.4-43.1-171.800000113.3S737 L738 N1098 F1099 V1160S737-A741 PolarHBondContact O-N 2.93Å; S737-A741 VanDerWaalsContact O-N 3.16Å; L738-A741 PolarHBondContact O-N 2.85Å; A741-N1098 HydrophobicContact CB-CB 3.59Å; A741-N1098 PolarHBondContact O-ND2 3.37Å; A741-N1098 VanDerWaalsContact O-ND2 3.11Å; A741-F1099 HydrophobicContact CB-CD2 4.12Å; A741-F1099 HydrophobicContact CB-CE2 4.13Å; A741-F1099 HydrophobicContact CB-CG 4.46Å; A741-V1160 HydrophobicContact CB-CG1 4.37Å
742T81.6Confident79.5Confident1 Ų18.1 Ų8.11%0.0066%0.057CC..Hα-helixtrans-86-54.2-177.4-43.50000113A643 V645 Q646 L740 T744 A745 V746 I1095 F1099A643-T742 HydrophobicContact CB-CG2 3.87Å; V645-T742 HydrophobicContact CB-CG2 4.39Å; V645-T742 HydrophobicContact CG1-CG2 4.32Å; Q646-T742 HydrophobicContact CB-CG2 4.22Å; L740-T742 VanDerWaalsContact C-N 3.27Å; L740-T742 PolarHBondContact O-N 3.32Å; T742-T744 VanDerWaalsContact C-N 3.3Å; T742-T744 PolarHBondContact O-N 2.88Å; T742-A745 PolarHBondContact O-N 3.05Å; T742-V746 HydrophobicContact CG2-CG2 4.09Å; T742-V746 WeakPolarHBondContact O-CG2 3.28Å; T742-V746 PolarHBondContact O-N 3.19Å; T742-I1095 HydrophobicContact CG2-CD1 4.14Å; T742-I1095 HydrophobicContact CG2-CG2 4.38Å; T742-F1099 WeakPolarHBondContact OG1-CE2 3.46Å
743P74.3Confident79.6Confident32 Ų328 Ų821%0.2086%0.056CC..Hα-helixtrans-62.2-37.9-173.6-23.935.8000112.7G739 L740 M747G739-P743 VanDerWaalsContact O-CD 3.26Å; G739-P743 WeakPolarHBondContact O-CD 2.86Å; G739-P743 WeakPolarHBondContact O-CG 3.49Å; L740-P743 WeakPolarHBondContact O-CD 3.48Å; P743-M747 WeakPolarHBondContact O-CB 3.4Å; P743-M747 PolarHBondContact O-N 3.4Å
744T78.5Confident79.4Confident2 Ų28.7 Ų8.71%0.0126%0.062CC..Hα-helixtrans-66.6-41.8179.7570000112.2L740 T742 V748 S1164L740-T744 HydrophobicContact CB-CG2 4.38Å; L740-T744 HydrophobicContact CD2-CG2 3.83Å; L740-T744 WeakPolarHBondContact O-CB 3.42Å; L740-T744 WeakPolarHBondContact O-CG2 3.42Å; L740-T744 PolarHBondContact O-N 3.46Å; L740-T744 PolarHBondContact O-OG1 3.02Å; T742-T744 VanDerWaalsContact C-N 3.3Å; T742-T744 PolarHBondContact O-N 2.88Å; T744-V748 VanDerWaalsContact O-CG2 3.25Å; T744-V748 WeakPolarHBondContact O-CG2 3.38Å; T744-V748 PolarHBondContact O-N 3.39Å; T744-V748 VanDerWaalsContact O-N 3.09Å; T744-S1164 PolarHBondContact OG1-OG 3.48Å; T744-S1164 VanDerWaalsContact OG1-OG 3.1Å
745A85.4Confident79.4Confident0 Ų013.6 Ų13.60%09%0.086CC..Hα-helixtrans-68.2-46.3177.800000112.2T742 M747 V748 A749 T1091 I1095 L1167T742-A745 PolarHBondContact O-N 3.05Å; A745-M747 PolarHBondContact O-N 3.47Å; A745-V748 PolarHBondContact O-N 3.07Å; A745-A749 VanDerWaalsContact O-CB 3.25Å; A745-A749 WeakPolarHBondContact O-CB 3.3Å; A745-A749 PolarHBondContact O-N 3.29Å; A745-T1091 HydrophobicContact CB-CG2 4.3Å; A745-I1095 HydrophobicContact CB-CD1 4.24Å; A745-I1095 HydrophobicContact CB-CG1 3.52Å; A745-L1167 HydrophobicContact CB-CD1 4.24Å
746V84.3Confident79.7Confident15 Ų1515.5 Ų15.59%0.09110%0.096CC..Hα-helixtrans-61.9-43.5178.5173.10000111.2A643 T742 A749 T750 I1095A643-V746 HydrophobicContact CB-CG2 4.49Å; T742-V746 HydrophobicContact CG2-CG2 4.09Å; T742-V746 WeakPolarHBondContact O-CG2 3.28Å; T742-V746 PolarHBondContact O-N 3.19Å; V746-A749 PolarHBondContact O-N 3.13Å; V746-T750 HydrophobicContact CG1-CG2 4.26Å; V746-T750 WeakPolarHBondContact O-CB 3.5Å; V746-T750 WeakPolarHBondContact O-CG2 3.48Å; V746-T750 PolarHBondContact O-N 3.01Å; V746-T750 PolarHBondContact O-OG1 3.45Å; V746-I1095 HydrophobicContact CG2-CD1 4.07Å
747M76.9Confident80.1Confident21 Ų2114.7 Ų14.710%0.1039%0.091CC..Hα-helixtrans-68.6-37.6-179.4179.9-173.466.100112.7K517 T520 P743 A745 T750 G751K517-M747 VanDerWaalsContact CA-CE 3.41Å; K517-M747 HydrophobicContact CB-CE 4.09Å; K517-M747 HydrophobicContact CB-SD 4.15Å; K517-M747 HydrophobicContact CG-CE 3.74Å; K517-M747 HydrophobicContact CG-SD 3.95Å; T520-M747 HydrophobicContact CG2-CE 3.71Å; T520-M747 HydrophobicContact CG2-CG 3.91Å; T520-M747 HydrophobicContact CG2-SD 4.36Å; T520-M747 WeakPolarHBondContact OG1-CE 3.39Å; T520-M747 VanDerWaalsContact OG1-CG 3.23Å; T520-M747 WeakPolarHBondContact OG1-CG 3.49Å; T520-M747 PolarHBondContact OG1-SD 2.95Å; P743-M747 WeakPolarHBondContact O-CB 3.4Å; P743-M747 PolarHBondContact O-N 3.4Å; A745-M747 PolarHBondContact O-N 3.47Å; M747-T750 WeakPolarHBondContact CA-OG1 3.38Å; M747-T750 PolarHBondContact O-OG1 2.8Å; M747-T750 VanDerWaalsContact O-OG1 3.13Å; M747-G751 PolarHBondContact O-N 3.36Å
748V84.2Confident80.5Confident5 Ų514.8 Ų14.83%0.039%0.091CC..Hα-helixtrans-68.5-41.7171.7177.20000110.4T520 T744 A745 G751 V752 L1165 L1167 K1168T520-V748 HydrophobicContact CG2-CB 4.28Å; T520-V748 HydrophobicContact CG2-CG2 3.5Å; T744-V748 VanDerWaalsContact O-CG2 3.25Å; T744-V748 WeakPolarHBondContact O-CG2 3.38Å; T744-V748 PolarHBondContact O-N 3.39Å; T744-V748 VanDerWaalsContact O-N 3.09Å; A745-V748 PolarHBondContact O-N 3.07Å; V748-G751 PolarHBondContact O-N 2.93Å; V748-V752 HydrophobicContact CG1-CG2 4.18Å; V748-V752 WeakPolarHBondContact O-CB 3.35Å; V748-V752 VanDerWaalsContact O-CG2 3.23Å; V748-V752 WeakPolarHBondContact O-CG2 3.48Å; V748-V752 PolarHBondContact O-N 3.02Å; V748-L1165 HydrophobicContact CG2-CD2 4.45Å; V748-L1167 HydrophobicContact CB-CB 4.5Å; V748-L1167 HydrophobicContact CG1-CB 3.72Å; V748-K1168 HydrophobicContact CG1-CG 3.84Å
749A87.5Confident80.9Confident0 Ų014.5 Ų14.50%09%0.09CC..Hα-helixtrans-65.6-45.1-17900000113.1A745 V746 V752 G753 L766 T1091 L1167A745-A749 VanDerWaalsContact O-CB 3.25Å; A745-A749 WeakPolarHBondContact O-CB 3.3Å; A745-A749 PolarHBondContact O-N 3.29Å; V746-A749 PolarHBondContact O-N 3.13Å; A749-V752 PolarHBondContact O-N 3.32Å; A749-G753 PolarHBondContact O-N 3.22Å; A749-L766 HydrophobicContact CB-CD1 3.82Å; A749-T1091 HydrophobicContact CB-CG2 3.54Å; A749-T1091 WeakPolarHBondContact CB-OG1 3.14Å; A749-L1167 HydrophobicContact CB-CD1 4.43Å
750T82.6Confident81.6Confident8 Ų813.5 Ų13.55%0.0498%0.078CC..Hα-helixtrans-62.8-41.4175.447.40000111.5V746 M747 G753 A754 I760 L766V746-T750 HydrophobicContact CG1-CG2 4.26Å; V746-T750 WeakPolarHBondContact O-CB 3.5Å; V746-T750 WeakPolarHBondContact O-CG2 3.48Å; V746-T750 PolarHBondContact O-N 3.01Å; V746-T750 PolarHBondContact O-OG1 3.45Å; M747-T750 WeakPolarHBondContact CA-OG1 3.38Å; M747-T750 PolarHBondContact O-OG1 2.8Å; M747-T750 VanDerWaalsContact O-OG1 3.13Å; T750-G753 PolarHBondContact O-N 3.12Å; T750-A754 WeakPolarHBondContact O-CB 3.19Å; T750-A754 PolarHBondContact O-N 2.94Å; T750-I760 HydrophobicContact CG2-CB 4.35Å; T750-L766 HydrophobicContact CG2-CD1 4.42Å
751G77.6Confident81.6Confident13 Ų1314.6 Ų14.613%0.1348%0.083CC..Hα-helixtrans-63.7-41.3173.300000113.4M747 V748 M755M747-G751 PolarHBondContact O-N 3.36Å; V748-G751 PolarHBondContact O-N 2.93Å; G751-M755 WeakPolarHBondContact O-CG 3.39Å; G751-M755 PolarHBondContact O-N 3.35Å
752V84.3Confident80.9Confident4 Ų414.6 Ų14.62%0.0248%0.083CC..Hα-helixtrans-69.2-36.9175.1172.10000111.7V748 A749 M755 N756 K1168 Y1170V748-V752 HydrophobicContact CG1-CG2 4.18Å; V748-V752 WeakPolarHBondContact O-CB 3.35Å; V748-V752 VanDerWaalsContact O-CG2 3.23Å; V748-V752 WeakPolarHBondContact O-CG2 3.48Å; V748-V752 PolarHBondContact O-N 3.02Å; A749-V752 PolarHBondContact O-N 3.32Å; V752-M755 HydrophobicContact CB-CE 4.41Å; V752-M755 HydrophobicContact CG2-CE 4.04Å; V752-N756 PolarHBondContact O-N 3.07Å; V752-N756 PolarHBondContact O-ND2 2.88Å; V752-K1168 HydrophobicContact CG2-CG 4.33Å; V752-Y1170 HydrophobicContact CG1-CD1 4.12Å
753G86.6Confident80.5Confident0 Ų014.6 Ų14.60%08%0.083CC..Hα-helixtrans-61.2-50.1173.200000111.3A749 T750 M755 N756 G757 I758A749-G753 PolarHBondContact O-N 3.22Å; T750-G753 PolarHBondContact O-N 3.12Å; G753-M755 VanDerWaalsContact C-N 3.32Å; G753-M755 PolarHBondContact O-N 3.22Å; G753-N756 CarbonylContact O-C 3.55Å; G753-N756 WeakPolarHBondContact O-CA 3.41Å; G753-N756 PolarHBondContact O-N 2.8Å; G753-G757 PolarHBondContact O-N 2.85Å; G753-G757 VanDerWaalsContact O-N 3.16Å; G753-I758 CarbonylContact C-O 3.57Å; G753-I758 WeakPolarHBondContact CA-O 3.42Å; G753-I758 PolarHBondContact O-N 3.38Å
754A79.8Confident80.8Confident15 Ų1518 Ų1812%0.12410%0.096CC..Hα-helixtrans-57.7-42.7179.700000112.2T750 N756 G757 I758 L759T750-A754 WeakPolarHBondContact O-CB 3.19Å; T750-A754 PolarHBondContact O-N 2.94Å; A754-N756 PolarHBondContact O-N 3.34Å; A754-G757 PolarHBondContact O-N 3.18Å; A754-G757 VanDerWaalsContact O-N 3.09Å; A754-I758 PolarHBondContact N-O 3.41Å; A754-I758 VanDerWaalsContact N-O 3.12Å; A754-L759 HydrophobicContact CB-CD2 3.75Å
755M78.2Confident81.1Confident107 Ų10718.7 Ų18.753%0.52710%0.1SC..Hα-helixtrans-63.7-23.4174.8-70.1-172.9-61.700113.9V523 G751 V752 G753V523-M755 HydrophobicContact CG1-CG 3.75Å; V523-M755 HydrophobicContact CG1-SD 4.01Å; V523-M755 HydrophobicContact CG2-SD 4.32Å; G751-M755 WeakPolarHBondContact O-CG 3.39Å; G751-M755 PolarHBondContact O-N 3.35Å; V752-M755 HydrophobicContact CB-CE 4.41Å; V752-M755 HydrophobicContact CG2-CE 4.04Å; G753-M755 VanDerWaalsContact C-N 3.32Å; G753-M755 PolarHBondContact O-N 3.22Å
756N81.2Confident81.1Confident42 Ų4218.7 Ų18.723%0.22510%0.101CC..THydrogen-bonded Turntrans-97.47176.8-70.4-63.7000112.8V752 G753 A754V752-N756 PolarHBondContact O-N 3.07Å; V752-N756 PolarHBondContact O-ND2 2.88Å; G753-N756 CarbonylContact O-C 3.55Å; G753-N756 WeakPolarHBondContact O-CA 3.41Å; G753-N756 PolarHBondContact O-N 2.8Å; A754-N756 PolarHBondContact O-N 3.34Å
757G79.5Confident81.2Confident2 Ų218.6 Ų18.62%0.02110%0.099CC..THydrogen-bonded Turntrans85.116.9-179.100000115.1G753 A754 I1074G753-G757 PolarHBondContact O-N 2.85Å; G753-G757 VanDerWaalsContact O-N 3.16Å; A754-G757 PolarHBondContact O-N 3.18Å; A754-G757 VanDerWaalsContact O-N 3.09Å; G757-I1074 PolarHBondContact O-N 2.82Å
758I87.5Confident81.6Confident1 Ų119 Ų191%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-119.3104.4-177.7-53.4170.8000109.5G753 A754 I760 I1071 L1073 D1080 A1083 A1084G753-I758 CarbonylContact C-O 3.57Å; G753-I758 WeakPolarHBondContact CA-O 3.42Å; G753-I758 PolarHBondContact O-N 3.38Å; A754-I758 PolarHBondContact N-O 3.41Å; A754-I758 VanDerWaalsContact N-O 3.12Å; I758-I760 HydrophobicContact CG2-CG1 4.18Å; I758-I1071 HydrophobicContact CG2-CG2 4Å; I758-L1073 HydrophobicContact CG1-CD2 4.32Å; I758-L1073 HydrophobicContact CG2-CD2 4.09Å; I758-D1080 HydrophobicContact CD1-CB 4.4Å; I758-D1080 HydrophobicContact CG1-CB 4.16Å; I758-A1083 HydrophobicContact CD1-CB 3.66Å; I758-A1084 HydrophobicContact CD1-CB 4.32Å; I758-A1084 HydrophobicContact CG2-CB 3.68Å
759L84.5Confident81.9Confident6 Ų618.8 Ų18.83%0.03110%0.1CC..EExtended strand (participates in β ladder)trans-94.9121.4179.1-58.1172.6000109.6I631 L634 V635 A754 I1071 V1072 I1074I631-L759 HydrophobicContact CB-CD1 4.31Å; I631-L759 HydrophobicContact CG1-CD1 3.91Å; I631-L759 HydrophobicContact CG2-CD1 3.98Å; I631-L759 HydrophobicContact CG2-CD2 3.97Å; L634-L759 HydrophobicContact CD1-CD1 4.48Å; V635-L759 HydrophobicContact CG2-CD2 3.88Å; A754-L759 HydrophobicContact CB-CD2 3.75Å; L759-I1071 CarbonylContact O-C 3.52Å; L759-I1071 VanDerWaalsContact O-CA 3.26Å; L759-I1071 WeakPolarHBondContact O-CA 3.42Å; L759-V1072 HydrophobicContact CB-CB 4.24Å; L759-V1072 PolarHBondContact N-O 3.4Å; L759-V1072 PolarHBondContact O-N 3.13Å; L759-I1074 HydrophobicContact CD1-CD1 3.83Å; L759-I1074 HydrophobicContact CD1-CG1 3.78Å; L759-I1074 HydrophobicContact CD2-CD1 4.13Å; L759-I1074 HydrophobicContact CG-CD1 3.86Å; L759-I1074 HydrophobicContact CG-CG1 3.93Å
760I84.8Confident81.9Confident6 Ų621.7 Ų21.73%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-112.3117178.7-56.7171.5000107A638 T750 I758 G762 P765 L766 I1071A638-I760 WeakPolarHBondContact CB-O 3.42Å; T750-I760 HydrophobicContact CG2-CB 4.35Å; I758-I760 HydrophobicContact CG2-CG1 4.18Å; I760-G762 WeakPolarHBondContact CG2-O 3.46Å; I760-G762 PolarHBondContact O-N 2.84Å; I760-P765 HydrophobicContact CG2-CB 4.1Å; I760-L766 HydrophobicContact CD1-CD1 3.93Å; I760-L766 HydrophobicContact CD1-CG 4.47Å; I760-L766 HydrophobicContact CG2-CB 4.04Å; I760-I1071 HydrophobicContact CG1-CD1 4.5Å; I760-I1071 HydrophobicContact CG1-CG1 4.26Å; I760-I1071 HydrophobicContact CG1-CG2 4.32Å; I760-I1071 HydrophobicContact CG2-CG1 4.25Å
761K72.6Confident82.1Confident27 Ų2726.1 Ų26.112%0.11713%0.13CC..  trans-71.713.5-175.4-60.6-164.9-169.7-172.50114.6L634 A638 S641 I1066 E1067 A1069 S1070L634-K761 HydrophobicContact CD2-CD 3.81Å; L634-K761 HydrophobicContact CD2-CG 4.27Å; A638-K761 VanDerWaalsContact CA-O 3.25Å; A638-K761 WeakPolarHBondContact CA-O 3.4Å; A638-K761 VanDerWaalsContact CB-C 3.42Å; S641-K761 PolarHBondContact OG-O 2.96Å; S641-K761 VanDerWaalsContact OG-O 3.13Å; K761-I1066 VanDerWaalsContact CE-O 3.23Å; K761-I1066 WeakPolarHBondContact CE-O 3.39Å; K761-I1066 PolarHBondContact NZ-O 3.32Å; K761-E1067 VanDerWaalsContact NZ-C 3.33Å; K761-E1067 PolarHBondContact NZ-O 2.71Å; K761-A1069 WeakPolarHBondContact CD-O 3.4Å; K761-A1069 WeakPolarHBondContact CE-O 3.42Å; K761-A1069 PolarHBondContact NZ-O 2.92Å; K761-S1070 WeakPolarHBondContact CB-O 3.37Å; K761-S1070 PolarHBondContact N-O 2.77Å
762G67.8Low82.7Confident0 Ų025.9 Ų25.90%013%0.125CC..  trans166.5174.2177.300000118.5S641 I760 L766S641-G762 WeakPolarHBondContact OG-CA 3.29Å; I760-G762 WeakPolarHBondContact CG2-O 3.46Å; I760-G762 PolarHBondContact O-N 2.84Å; G762-L766 WeakPolarHBondContact O-CB 3.29Å; G762-L766 PolarHBondContact O-N 2.87Å
763G72.9Confident82.8Confident1 Ų127.9 Ų27.91%0.0114%0.137CC..Hα-helixtrans-70.8-30.7172.200000114.1E767G763-E767 PolarHBondContact O-N 2.95Å; G763-E767 VanDerWaalsContact O-N 3.12Å
764E79.8Confident83Confident103 Ų10328.5 Ų28.548%0.48114%0.141SC..Hα-helixtrans-69.1-51.8178.2176.7175.3-161.600112.9P644 L766 E767 L768P644-E764 HydrophobicContact CG-CB 4.23Å; P644-E764 HydrophobicContact CG-CG 3.98Å; E764-L766 PolarHBondContact O-N 3.17Å; E764-E767 PolarHBondContact O-N 3.33Å; E764-E767 VanDerWaalsContact O-N 3.09Å; E764-L768 HydrophobicContact CG-CD1 3.75Å; E764-L768 HydrophobicContact CG-CG 4.29Å; E764-L768 WeakPolarHBondContact O-CG 3.48Å; E764-L768 PolarHBondContact O-N 3.13Å
765P84.2Confident83.6Confident16 Ų1627.8 Ų27.810%0.10414%0.135CC..Hα-helixtrans-57.3-36.9174.2-26.435.7000112.9I760 E767 L768 A769 I1071I760-P765 HydrophobicContact CG2-CB 4.1Å; P765-E767 PolarHBondContact O-N 2.93Å; P765-L768 PolarHBondContact O-N 3.2Å; P765-A769 WeakPolarHBondContact O-CB 3.43Å; P765-A769 PolarHBondContact O-N 3.04Å; P765-I1071 HydrophobicContact CB-CG1 4.46Å
766L86.8Confident84.3Confident1 Ų122.7 Ų22.71%0.00511%0.11CC..Hα-helixtrans-63.2-40.2176.9-170.6142000112.1A749 T750 I760 G762 E764 S1088 T1091A749-L766 HydrophobicContact CB-CD1 3.82Å; T750-L766 HydrophobicContact CG2-CD1 4.42Å; I760-L766 HydrophobicContact CD1-CD1 3.93Å; I760-L766 HydrophobicContact CD1-CG 4.47Å; I760-L766 HydrophobicContact CG2-CB 4.04Å; G762-L766 WeakPolarHBondContact O-CB 3.29Å; G762-L766 PolarHBondContact O-N 2.87Å; E764-L766 PolarHBondContact O-N 3.17Å; L766-S1088 VanDerWaalsContact O-CB 3.23Å; L766-S1088 WeakPolarHBondContact O-CB 3.24Å; L766-S1088 PolarHBondContact O-OG 3.22Å; L766-T1091 HydrophobicContact CD1-CG2 4.35Å; L766-T1091 HydrophobicContact CD2-CG2 3.57Å
767E85.4Confident84.9Confident13 Ų1320.8 Ų20.86%0.06110%0.1CC..Hα-helixtrans-73.9-41177.6-165.7-173.7153.800111.9P644 V645 G763 E764 P765 A769 R771P644-E767 WeakPolarHBondContact CB-OE2 3.42Å; P644-E767 WeakPolarHBondContact CD-OE2 3.34Å; V645-E767 VanDerWaalsContact CG2-OE1 3.25Å; V645-E767 WeakPolarHBondContact CG2-OE1 3.44Å; V645-E767 WeakPolarHBondContact CG2-OE2 3.37Å; V645-E767 PolarHBondContact N-OE2 3.26Å; G763-E767 PolarHBondContact O-N 2.95Å; G763-E767 VanDerWaalsContact O-N 3.12Å; E764-E767 PolarHBondContact O-N 3.33Å; E764-E767 VanDerWaalsContact O-N 3.09Å; P765-E767 PolarHBondContact O-N 2.93Å; E767-A769 VanDerWaalsContact C-N 3.35Å; E767-R771 IonicContact OE1-CZ 3.99Å; E767-R771 IonicContact OE1-NE 2.94Å; E767-R771 IonicContact OE1-NH2 3.95Å; E767-R771 PolarHBondContact OE1-NH2 3.15Å
768L86.5Confident85.5Confident29 Ų2921 Ų2115%0.15210%0.101CC..Hα-helixtrans-67.2-35178.7-70.4174.2000112.1E764 P765 Q770 R771 I772 N1053 V1054E764-L768 HydrophobicContact CG-CD1 3.75Å; E764-L768 HydrophobicContact CG-CG 4.29Å; E764-L768 WeakPolarHBondContact O-CG 3.48Å; E764-L768 PolarHBondContact O-N 3.13Å; P765-L768 PolarHBondContact O-N 3.2Å; L768-Q770 VanDerWaalsContact C-N 3.3Å; L768-Q770 PolarHBondContact O-N 3.25Å; L768-R771 WeakPolarHBondContact O-CA 3.48Å; L768-R771 PolarHBondContact O-N 3.22Å; L768-I772 PolarHBondContact O-N 3.39Å; L768-N1053 WeakPolarHBondContact CD1-O 3.29Å; L768-V1054 HydrophobicContact CB-CG2 3.53Å
769A89.4Confident85.5Confident0 Ų021.2 Ų21.20%010%0.102CC..Hα-helixtrans-59.2-36.6-178.400000113.3P765 E767 R771 I772 I1071 S1088P765-A769 WeakPolarHBondContact O-CB 3.43Å; P765-A769 PolarHBondContact O-N 3.04Å; E767-A769 VanDerWaalsContact C-N 3.35Å; A769-R771 VanDerWaalsContact C-N 3.28Å; A769-R771 PolarHBondContact O-N 3.05Å; A769-I772 HydrophobicContact CB-CD1 4.35Å; A769-I772 WeakPolarHBondContact O-CG1 3.45Å; A769-I772 PolarHBondContact O-N 3Å; A769-I1071 HydrophobicContact CB-CD1 4.15Å; A769-S1088 WeakPolarHBondContact CB-OG 3.3Å
770Q88.2Confident85.5Confident62 Ų6223.6 Ų23.629%0.2912%0.117SC..Hα-helixtrans-65.2-33.9173.2176.8-172.61.300112.2L768 I772 A1089 T1092L768-Q770 VanDerWaalsContact C-N 3.3Å; L768-Q770 PolarHBondContact O-N 3.25Å; Q770-I772 VanDerWaalsContact C-N 3.27Å; Q770-I772 PolarHBondContact O-N 3.08Å; Q770-A1089 HydrophobicContact CB-CB 4.28Å; Q770-A1089 HydrophobicContact CG-CB 3.79Å; Q770-T1092 PolarHBondContact OE1-OG1 3.36Å
771R86.8Confident85.3Confident101 Ų10123.6 Ų23.638%0.38112%0.118SC..Hα-helixtrans-82.9-5.2-174.2-57.7-175.2-171-162.55.8112.6E767 L768 A769 T773 E1033 Q1035E767-R771 IonicContact OE1-CZ 3.99Å; E767-R771 IonicContact OE1-NE 2.94Å; E767-R771 IonicContact OE1-NH2 3.95Å; E767-R771 PolarHBondContact OE1-NH2 3.15Å; L768-R771 WeakPolarHBondContact O-CA 3.48Å; L768-R771 PolarHBondContact O-N 3.22Å; A769-R771 VanDerWaalsContact C-N 3.28Å; A769-R771 PolarHBondContact O-N 3.05Å; R771-T773 PolarHBondContact O-N 2.95Å; R771-E1033 IonicContact NH1-OE2 3.84Å; R771-Q1035 HydrophobicContact CB-CB 4.49Å; R771-Q1035 HydrophobicContact CB-CG 3.85Å; R771-Q1035 VanDerWaalsContact O-CB 3.3Å; R771-Q1035 WeakPolarHBondContact O-CB 3.44Å; R771-Q1035 WeakPolarHBondContact O-CG 3.06Å
772I88.9Confident86Confident8 Ų822.3 Ų22.34%0.04111%0.112CC..  trans-56124178.1-64.9173.4000109.6L768 A769 Q770 T774 I775 I978 V1054L768-I772 PolarHBondContact O-N 3.39Å; A769-I772 HydrophobicContact CB-CD1 4.35Å; A769-I772 WeakPolarHBondContact O-CG1 3.45Å; A769-I772 PolarHBondContact O-N 3Å; Q770-I772 VanDerWaalsContact C-N 3.27Å; Q770-I772 PolarHBondContact O-N 3.08Å; I772-T774 WeakPolarHBondContact CG2-O 3.49Å; I772-I775 HydrophobicContact CG2-CD1 4.28Å; I772-I775 HydrophobicContact CG2-CG1 3.59Å; I772-I978 HydrophobicContact CG2-CG2 4.27Å; I772-V1054 HydrophobicContact CD1-CB 3.88Å; I772-V1054 HydrophobicContact CD1-CG1 4.24Å; I772-V1054 HydrophobicContact CD1-CG2 4.01Å; I772-V1054 HydrophobicContact CG1-CG2 4.27Å
773T87.9Confident87.1Confident45 Ų4522.4 Ų22.428%0.27611%0.113SC..  trans-109-22.8175.852.80000111.9R771 I978 K979 Q1035R771-T773 PolarHBondContact O-N 2.95Å; T773-I978 WeakPolarHBondContact O-CA 3.47Å; T773-K979 PolarHBondContact O-N 3.27Å; T773-Q1035 PolarHBondContact N-O 3.28Å; T773-Q1035 PolarHBondContact OG1-N 3.4Å; T773-Q1035 PolarHBondContact OG1-O 3.15Å
774T90.4Very high87.9Confident13 Ų1322.3 Ų22.38%0.0811%0.112CC..EExtended strand (participates in β ladder)trans-134.2129.8178.6-56.40000110.2I772 K979 I981 Q1035 V1036 G1037I772-T774 WeakPolarHBondContact CG2-O 3.49Å; T774-K979 CarbonylContact C-O 3.57Å; T774-K979 VanDerWaalsContact CA-O 3.26Å; T774-K979 WeakPolarHBondContact CA-O 3.46Å; T774-K979 HydrophobicContact CG2-CB 4.49Å; T774-I981 HydrophobicContact CG2-CD1 3.6Å; T774-I981 HydrophobicContact CG2-CG1 4.05Å; T774-Q1035 PolarHBondContact N-O 3.15Å; T774-V1036 WeakPolarHBondContact O-CA 3.33Å; T774-G1037 PolarHBondContact O-N 3.41Å
775I93.2Very high88.1Confident0 Ų021.6 Ų21.60%011%0.109CC..EExtended strand (participates in β ladder)trans-112.5129.6172.3-68.4170.3000109.2I772 F777 L973 I978 K979 T980 I981 G1037 V1039 V1081 I1085I772-I775 HydrophobicContact CG2-CD1 4.28Å; I772-I775 HydrophobicContact CG2-CG1 3.59Å; I775-F777 HydrophobicContact CB-CE2 4.35Å; I775-F777 HydrophobicContact CG2-CD1 4.47Å; I775-F777 HydrophobicContact CG2-CD2 3.97Å; I775-F777 HydrophobicContact CG2-CE1 4.11Å; I775-F777 HydrophobicContact CG2-CE2 3.57Å; I775-F777 HydrophobicContact CG2-CG 4.4Å; I775-F777 HydrophobicContact CG2-CZ 3.65Å; I775-L973 HydrophobicContact CD1-CD1 3.85Å; I775-L973 HydrophobicContact CD1-CD2 3.65Å; I775-L973 HydrophobicContact CD1-CG 4.3Å; I775-I978 HydrophobicContact CB-CG2 4.23Å; I775-I978 HydrophobicContact CD1-CD1 4.43Å; I775-I978 HydrophobicContact CD1-CG2 3.71Å; I775-I978 HydrophobicContact CG1-CG2 3.68Å; I775-K979 PolarHBondContact N-O 3.33Å; I775-T980 CarbonylContact O-C 3.42Å; I775-T980 WeakPolarHBondContact O-CA 3.45Å; I775-I981 PolarHBondContact O-N 3.4Å; I775-G1037 CarbonylContact C-O 3.59Å; I775-G1037 WeakPolarHBondContact CA-O 3.42Å; I775-V1039 HydrophobicContact CG2-CG2 3.84Å; I775-V1081 HydrophobicContact CD1-CG1 4.35Å; I775-I1085 HydrophobicContact CD1-CD1 3.45Å; I775-I1085 VanDerWaalsContact CD1-CD1 3.45Å
776I92.5Very high87.9Confident1 Ų122.3 Ų22.31%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-102.8127.8172.9-54.5168.8000107.2I981 L983 V1016 L1019 V1036 G1037 M1038 V1039I776-I981 CarbonylContact C-O 3.57Å; I776-I981 WeakPolarHBondContact CA-O 3.43Å; I776-I981 HydrophobicContact CG1-CB 4.3Å; I776-L983 HydrophobicContact CG2-CB 3.45Å; I776-L983 VanDerWaalsContact CG2-CB 3.45Å; I776-L983 HydrophobicContact CG2-CD2 3.85Å; I776-L983 HydrophobicContact CG2-CG 4.31Å; I776-V1016 HydrophobicContact CD1-CG2 3.93Å; I776-L1019 HydrophobicContact CD1-CD1 3.62Å; I776-L1019 HydrophobicContact CG1-CD1 4.31Å; I776-V1036 HydrophobicContact CD1-CG1 3.49Å; I776-V1036 VanDerWaalsContact CD1-CG1 3.49Å; I776-V1036 HydrophobicContact CG1-CG1 4.08Å; I776-G1037 PolarHBondContact N-O 2.65Å; I776-M1038 HydrophobicContact CB-SD 3.62Å; I776-M1038 HydrophobicContact CG2-CE 4.41Å; I776-M1038 HydrophobicContact CG2-SD 3.46Å; I776-M1038 WeakPolarHBondContact CG2-SD 3.43Å; I776-M1038 CarbonylContact O-C 3.56Å; I776-M1038 WeakPolarHBondContact O-CA 3.41Å; I776-V1039 PolarHBondContact O-N 3.31Å
777F93.5Very high87.6Confident1 Ų128.8 Ų28.80%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-104.9133.4174.3-70.8-79.3000110I775 T782 I783 V970 L973 T980 I981 L983 V1039 L1078I775-F777 HydrophobicContact CB-CE2 4.35Å; I775-F777 HydrophobicContact CG2-CD1 4.47Å; I775-F777 HydrophobicContact CG2-CD2 3.97Å; I775-F777 HydrophobicContact CG2-CE1 4.11Å; I775-F777 HydrophobicContact CG2-CE2 3.57Å; I775-F777 HydrophobicContact CG2-CG 4.4Å; I775-F777 HydrophobicContact CG2-CZ 3.65Å; F777-T782 HydrophobicContact CD1-CG2 4.16Å; F777-I783 HydrophobicContact CB-CD1 3.46Å; F777-I783 VanDerWaalsContact CB-CD1 3.46Å; F777-I783 HydrophobicContact CB-CG1 4.09Å; F777-I783 HydrophobicContact CD1-CD1 4.47Å; F777-I783 HydrophobicContact CD1-CG1 4.38Å; F777-I783 HydrophobicContact CD2-CD1 4.49Å; F777-I783 HydrophobicContact CG-CD1 3.93Å; F777-I783 HydrophobicContact CG-CG1 4.33Å; F777-V970 HydrophobicContact CE2-CG2 4.07Å; F777-L973 HydrophobicContact CE2-CD1 3.86Å; F777-L973 HydrophobicContact CZ-CD1 3.44Å; F777-L973 VanDerWaalsContact CZ-CD1 3.44Å; F777-T980 HydrophobicContact CE2-CG2 3.91Å; F777-I981 PolarHBondContact N-O 2.9Å; F777-L983 PolarHBondContact O-N 2.94Å; F777-V1039 HydrophobicContact CD1-CB 3.79Å; F777-V1039 HydrophobicContact CD1-CG1 4.28Å; F777-V1039 HydrophobicContact CD1-CG2 3.92Å; F777-V1039 HydrophobicContact CE1-CB 4.09Å; F777-V1039 HydrophobicContact CE1-CG1 4.41Å; F777-V1039 HydrophobicContact CE1-CG2 3.77Å; F777-L1078 HydrophobicContact CD1-CD2 4.46Å; F777-L1078 HydrophobicContact CE1-CD2 4.14Å
778D91.2Very high87.6Confident8 Ų830.3 Ų30.34%0.04316%0.158CC..  trans-70158.5154.9-167.659.5000110.4T780 T782 K1012 M1038 V1039D778-T780 PolarHBondContact OD2-N 3.4Å; D778-T780 VanDerWaalsContact OD2-N 3.11Å; D778-T782 VanDerWaalsContact O-CB 3.3Å; D778-T782 WeakPolarHBondContact O-CB 3.45Å; D778-T782 WeakPolarHBondContact O-CG2 3.34Å; D778-K1012 IonicContact OD1-NZ 3.14Å; D778-K1012 PolarHBondContact OD1-NZ 3.46Å; D778-M1038 HydrophobicContact CB-CE 4.11Å; D778-V1039 PolarHBondContact N-O 3.38Å
779K88.9Confident87.6Confident5 Ų532.4 Ų32.42%0.02217%0.167CC..Iπ-helixtrans-88.8-62.3-178.9-172.7-162.7157.1-147.20111.5G781 T782 I783 T784 L982 D986 T994K779-G781 PolarHBondContact O-N 3Å; K779-T782 PolarHBondContact O-N 3.44Å; K779-I783 PolarHBondContact O-N 3.14Å; K779-T784 HydrophobicContact CG-CG2 4.1Å; K779-T784 PolarHBondContact O-N 3.23Å; K779-T784 VanDerWaalsContact O-N 3.08Å; K779-T784 PolarHBondContact O-OG1 3.28Å; K779-L982 HydrophobicContact CB-CD1 4.11Å; K779-D986 HydrophobicContact CD-CB 4.42Å; K779-D986 WeakPolarHBondContact CD-OD2 3.45Å; K779-D986 IonicContact NZ-OD2 3.82Å; K779-D986 PolarHBondContact NZ-OD2 3.26Å; K779-T994 HydrophobicContact CD-CG2 4.5Å; K779-T994 WeakPolarHBondContact CE-OG1 3.43Å; K779-T994 HydrophobicContact CG-CG2 4.15Å
780T84.6Confident87.6Confident56 Ų5633 Ų3334%0.34417%0.17SC..Iπ-helixtrans-80.8114.2-158.6-58.30000109.8D778 T782 T784D778-T780 PolarHBondContact OD2-N 3.4Å; D778-T780 VanDerWaalsContact OD2-N 3.11Å; T780-T782 PolarHBondContact O-N 3.03Å; T780-T784 WeakPolarHBondContact CA-OG1 3.44Å
781G79.5Confident87.6Confident6 Ų631 Ų316%0.06216%0.162CC..Iπ-helixtrans83.5-18.6-176.100000114.3K779 T784 K963 D1041K779-G781 PolarHBondContact O-N 3Å; G781-T784 CarbonylContact C-O 3.56Å; G781-T784 VanDerWaalsContact C-O 3.24Å; G781-T784 VanDerWaalsContact CA-O 3.26Å; G781-T784 WeakPolarHBondContact CA-O 3.33Å; G781-T784 PolarHBondContact N-O 3.01Å; G781-T784 PolarHBondContact N-OG1 2.91Å; G781-K963 PolarHBondContact O-NZ 3.37Å; G781-D1041 VanDerWaalsContact CA-OD2 3.32Å; G781-D1041 WeakPolarHBondContact CA-OD2 3.44Å
782T87.5Confident87.8Confident0 Ų027.6 Ų27.60%015%0.15CC..Iπ-helixtrans-87.7-72.3172-65.60000112.5F777 D778 K779 T780 K963 V1039 G1040 D1041 I1058 L1078F777-T782 HydrophobicContact CD1-CG2 4.16Å; D778-T782 VanDerWaalsContact O-CB 3.3Å; D778-T782 WeakPolarHBondContact O-CB 3.45Å; D778-T782 WeakPolarHBondContact O-CG2 3.34Å; K779-T782 PolarHBondContact O-N 3.44Å; T780-T782 PolarHBondContact O-N 3.03Å; T782-K963 VanDerWaalsContact O-CE 3.32Å; T782-K963 WeakPolarHBondContact O-CE 3.3Å; T782-K963 PolarHBondContact O-NZ 3.17Å; T782-V1039 HydrophobicContact CG2-CB 4.26Å; T782-V1039 HydrophobicContact CG2-CG1 3.76Å; T782-G1040 WeakPolarHBondContact OG1-CA 3.43Å; T782-D1041 PolarHBondContact N-OD1 3.13Å; T782-D1041 PolarHBondContact OG1-N 3.14Å; T782-D1041 PolarHBondContact OG1-OD1 3.24Å; T782-I1058 HydrophobicContact CG2-CD1 4.03Å; T782-L1078 HydrophobicContact CG2-CD2 4.13Å; T782-L1078 WeakPolarHBondContact O-CD1 3.36Å
783I91.1Very high87.8Confident1 Ų127.2 Ų27.21%0.00515%0.148CC..Iπ-helixtrans-79.9-32.4176.5-76.2171.1000111.8F777 K779 V962 K963 S966 L982 T994 V998 I1000 L1078F777-I783 HydrophobicContact CB-CD1 3.46Å; F777-I783 VanDerWaalsContact CB-CD1 3.46Å; F777-I783 HydrophobicContact CB-CG1 4.09Å; F777-I783 HydrophobicContact CD1-CD1 4.47Å; F777-I783 HydrophobicContact CD1-CG1 4.38Å; F777-I783 HydrophobicContact CD2-CD1 4.49Å; F777-I783 HydrophobicContact CG-CD1 3.93Å; F777-I783 HydrophobicContact CG-CG1 4.33Å; K779-I783 PolarHBondContact O-N 3.14Å; I783-V962 HydrophobicContact CG2-CG1 4.08Å; I783-K963 PolarHBondContact O-N 2.97Å; I783-S966 PolarHBondContact O-OG 2.92Å; I783-L982 HydrophobicContact CD1-CD1 3.66Å; I783-T994 HydrophobicContact CG2-CG2 3.9Å; I783-V998 HydrophobicContact CG2-CG2 3.77Å; I783-I1000 HydrophobicContact CD1-CD1 3.74Å; I783-L1078 HydrophobicContact CG1-CD1 4.3Å
784T89.8Confident87.8Confident0 Ų025.3 Ų25.30%014%0.137CC..EExtended strand (participates in β ladder)trans-102.2167177.760.60000111.4K779 T780 G781 G786 D960 L961 V962 K963 T994K779-T784 HydrophobicContact CG-CG2 4.1Å; K779-T784 PolarHBondContact O-N 3.23Å; K779-T784 VanDerWaalsContact O-N 3.08Å; K779-T784 PolarHBondContact O-OG1 3.28Å; T780-T784 WeakPolarHBondContact CA-OG1 3.44Å; G781-T784 CarbonylContact C-O 3.56Å; G781-T784 VanDerWaalsContact C-O 3.24Å; G781-T784 VanDerWaalsContact CA-O 3.26Å; G781-T784 WeakPolarHBondContact CA-O 3.33Å; G781-T784 PolarHBondContact N-O 3.01Å; G781-T784 PolarHBondContact N-OG1 2.91Å; T784-G786 PolarHBondContact O-N 2.72Å; T784-D960 WeakPolarHBondContact CB-OD1 3.48Å; T784-D960 WeakPolarHBondContact CB-OD2 3.18Å; T784-D960 VanDerWaalsContact OG1-CG 3.28Å; T784-D960 PolarHBondContact OG1-OD2 3.22Å; T784-L961 CarbonylContact C-O 3.6Å; T784-L961 WeakPolarHBondContact CA-O 3.27Å; T784-L961 VanDerWaalsContact CB-O 3.25Å; T784-L961 WeakPolarHBondContact CB-O 3.29Å; T784-V962 HydrophobicContact CG2-CG2 4.29Å; T784-K963 VanDerWaalsContact O-CE 3.23Å; T784-K963 WeakPolarHBondContact O-CE 3.49Å; T784-T994 HydrophobicContact CG2-CG2 4.38Å
785E84.5Confident87.6Confident87 Ų8725 Ų2541%0.40714%0.135SC..EExtended strand (participates in β ladder)trans-67.2-17.3176.7-64.6-168.2169.700113.2K787 Q789 L961 K963E785-K787 PolarHBondContact O-N 3.4Å; E785-Q789 PolarHBondContact OE2-NE2 3.46Å; E785-L961 PolarHBondContact N-O 2.88Å; E785-K963 HydrophobicContact CG-CG 4.39Å
786G78.9Confident87.2Confident32 Ų3225.9 Ų25.933%0.3314%0.139SC..EExtended strand (participates in β ladder)trans75.513-18000000113.1T784 D960T784-G786 PolarHBondContact O-N 2.72Å; G786-D960 WeakPolarHBondContact CA-OD1 3.39Å; G786-D960 WeakPolarHBondContact CA-OD2 3.45Å; G786-D960 PolarHBondContact N-OD1 3.31Å; G786-D960 PolarHBondContact N-OD2 2.91Å
787K81.7Confident86.5Confident137 Ų13727 Ų2760%0.59614%0.144SC*.EExtended strand (participates in β ladder)trans-131.4117.5-177.4-67.7176.1-174.1168.30108.4E785 Q789 D960E785-K787 PolarHBondContact O-N 3.4Å; K787-Q789 PolarHBondContact O-N 3.49Å; K787-D960 PolarHBondContact N-OD1 2.76Å
788P84.7Confident85.3Confident44 Ų4428.1 Ų28.129%0.28615%0.153SC..EExtended strand (participates in β ladder)trans-63.8129.9176.825.8-32.1000109.7P821 S825 I958P788-P821 HydrophobicContact CG-CB 3.77Å; P788-S825 WeakPolarHBondContact O-CB 3.41Å; P788-I958 HydrophobicContact CB-CG2 3.65Å
789Q86.4Confident84.3Confident74 Ų7432.2 Ų32.235%0.34618%0.175SC..EExtended strand (participates in β ladder)trans-123.8150.4176.1-66-176.411.200109.8E785 K787 V791 I958 A959 L961E785-Q789 PolarHBondContact OE2-NE2 3.46Å; K787-Q789 PolarHBondContact O-N 3.49Å; Q789-V791 PolarHBondContact O-N 3.36Å; Q789-I958 WeakPolarHBondContact O-CA 3.43Å; Q789-A959 PolarHBondContact N-O 3.28Å; Q789-A959 PolarHBondContact O-N 2.9Å; Q789-L961 HydrophobicContact CB-CD1 4.44Å; Q789-L961 VanDerWaalsContact OE1-CD1 3.25Å
790L90.1Very high82.9Confident12 Ų1237.3 Ų37.36%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-70.7119.2172.1-173.768.3000108.3F829 V880 F956 I958L790-F829 HydrophobicContact CB-CB 4.41Å; L790-F829 HydrophobicContact CB-CD2 4.48Å; L790-F829 HydrophobicContact CB-CG 4.35Å; L790-F829 HydrophobicContact CD2-CB 4.27Å; L790-F829 HydrophobicContact CD2-CD1 3.39Å; L790-F829 HydrophobicContact CD2-CD2 4Å; L790-F829 HydrophobicContact CD2-CE1 3.59Å; L790-F829 HydrophobicContact CD2-CE2 4.18Å; L790-F829 HydrophobicContact CD2-CG 3.6Å; L790-F829 HydrophobicContact CD2-CZ 3.98Å; L790-V880 HydrophobicContact CD2-CG1 4.12Å; L790-V880 HydrophobicContact CG-CG1 4.1Å; L790-V880 VanDerWaalsContact O-CG2 3.23Å; L790-V880 WeakPolarHBondContact O-CG2 3.14Å; L790-F956 HydrophobicContact CD1-CB 3.84Å; L790-F956 HydrophobicContact CD1-CD1 3.77Å; L790-F956 HydrophobicContact CD1-CG 4.31Å; L790-F956 HydrophobicContact CD2-CD1 4.08Å; L790-I958 HydrophobicContact CD1-CG1 3.85Å
791V88Confident82.2Confident19 Ų1938.9 Ų38.912%0.11522%0.221CC..EExtended strand (participates in β ladder)trans-98.5-39-178.6-1790000111Q789 V880 E881 S957 A959 L961Q789-V791 PolarHBondContact O-N 3.36Å; V791-V880 WeakPolarHBondContact O-CA 3.26Å; V791-E881 PolarHBondContact O-N 3.37Å; V791-S957 PolarHBondContact N-O 3.5Å; V791-A959 HydrophobicContact CG2-CB 3.81Å; V791-L961 HydrophobicContact CG2-CD2 3.74Å
792K89.7Confident81.9Confident30 Ų3039.3 Ų39.313%0.1322%0.222CC..EExtended strand (participates in β ladder)trans-145.9141.3-176.5-175.5174.6-177.1178.90111.2E881 E936 S957K792-E881 CarbonylContact C-O 3.53Å; K792-E881 VanDerWaalsContact CA-O 3.29Å; K792-E881 WeakPolarHBondContact CA-O 3.44Å; K792-E881 HydrophobicContact CB-CB 4.34Å; K792-E881 HydrophobicContact CG-CB 4.07Å; K792-E881 HydrophobicContact CG-CG 4.47Å; K792-E881 WeakPolarHBondContact CG-O 3.46Å; K792-E881 IonicContact NZ-OE1 3.67Å; K792-E881 IonicContact NZ-OE2 3.57Å; K792-E936 VanDerWaalsContact CD-OE1 3.26Å; K792-E936 WeakPolarHBondContact CD-OE1 3.36Å; K792-E936 WeakPolarHBondContact CE-OE1 3.45Å; K792-E936 IonicContact NZ-OE1 2.64Å; K792-E936 PolarHBondContact NZ-OE1 3.12Å; K792-S957 PolarHBondContact N-O 3.08Å; K792-S957 PolarHBondContact O-N 3.35Å
793L90Very high81.6Confident0 Ų042.3 Ų42.30%024%0.241CC..EExtended strand (participates in β ladder)trans-123.9114.4176178.464.3000108.7L795 L804 L808 E881 I882 V883 A954 F956L793-L795 HydrophobicContact CD2-CD2 4.37Å; L793-L795 HydrophobicContact CG-CD2 4.38Å; L793-L795 HydrophobicContact CG-CG 4.4Å; L793-L804 HydrophobicContact CD2-CD1 3.85Å; L793-L808 HydrophobicContact CD2-CD2 4Å; L793-E881 PolarHBondContact N-O 3.03Å; L793-I882 HydrophobicContact CB-CG1 4.41Å; L793-I882 HydrophobicContact CD2-CD1 4.24Å; L793-I882 WeakPolarHBondContact O-CA 3.46Å; L793-V883 PolarHBondContact O-N 3.36Å; L793-A954 HydrophobicContact CD1-CB 4.06Å; L793-F956 HydrophobicContact CD1-CD1 3.63Å; L793-F956 HydrophobicContact CD1-CD2 4.36Å; L793-F956 HydrophobicContact CD1-CE1 3.47Å; L793-F956 VanDerWaalsContact CD1-CE1 3.47Å; L793-F956 HydrophobicContact CD1-CE2 4.21Å; L793-F956 HydrophobicContact CD1-CG 4.08Å; L793-F956 HydrophobicContact CD1-CZ 3.78Å
794C88.1Confident81.3Confident5 Ų543.1 Ų43.13%0.03425%0.245CC..EExtended strand (participates in β ladder)trans-101.9125.8172.9-57.20000109.7F796 V883 A954 L955C794-F796 HydrophobicContact CB-CZ 4.23Å; C794-V883 CarbonylContact C-O 3.56Å; C794-V883 VanDerWaalsContact CA-O 3.32Å; C794-V883 WeakPolarHBondContact CA-O 3.32Å; C794-A954 CarbonylContact O-C 3.48Å; C794-A954 VanDerWaalsContact O-CA 3.24Å; C794-A954 WeakPolarHBondContact O-CA 3.43Å; C794-L955 HydrophobicContact CB-CB 4.16Å; C794-L955 PolarHBondContact N-O 2.83Å; C794-L955 PolarHBondContact O-N 3.19Å
795L86.6Confident81Confident8 Ų846.6 Ų46.64%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-102.6134.1179.6-63.6159.8000110.1L793 L804 V807 I882 V883 Y884 S885 A954L793-L795 HydrophobicContact CD2-CD2 4.37Å; L793-L795 HydrophobicContact CG-CD2 4.38Å; L793-L795 HydrophobicContact CG-CG 4.4Å; L795-L804 HydrophobicContact CD1-CD1 3.8Å; L795-L804 HydrophobicContact CD2-CD1 4.08Å; L795-V807 HydrophobicContact CD2-CG1 4.36Å; L795-I882 HydrophobicContact CD1-CG2 3.91Å; L795-V883 PolarHBondContact N-O 3.08Å; L795-Y884 HydrophobicContact CB-CD1 4.23Å; L795-Y884 HydrophobicContact CD1-CD1 3.84Å; L795-Y884 HydrophobicContact CD1-CE1 3.4Å; L795-S885 PolarHBondContact O-N 3.13Å; L795-A954 HydrophobicContact CD2-CB 4.1Å
796F83.8Confident81.1Confident18 Ų1844.1 Ų44.18%0.07925%0.252CS..  trans-111.7-9.3179.7-56.3-65.3000113.5C794 V929 I932 L945 V952 A953 L955C794-F796 HydrophobicContact CB-CZ 4.23Å; F796-V929 HydrophobicContact CD1-CG2 3.99Å; F796-V929 HydrophobicContact CD2-CG2 4.42Å; F796-V929 HydrophobicContact CE1-CB 4.48Å; F796-V929 HydrophobicContact CE1-CG1 4.43Å; F796-V929 HydrophobicContact CE1-CG2 3.84Å; F796-V929 HydrophobicContact CE2-CG1 3.77Å; F796-V929 HydrophobicContact CE2-CG2 4.25Å; F796-V929 HydrophobicContact CG-CG2 4.29Å; F796-V929 HydrophobicContact CZ-CB 4.25Å; F796-V929 HydrophobicContact CZ-CG1 3.73Å; F796-V929 HydrophobicContact CZ-CG2 3.97Å; F796-I932 HydrophobicContact CE1-CD1 3.95Å; F796-I932 HydrophobicContact CZ-CD1 4.49Å; F796-L945 HydrophobicContact CE2-CD2 4.24Å; F796-V952 HydrophobicContact CD2-CG1 3.97Å; F796-V952 HydrophobicContact CE2-CG1 4.38Å; F796-A953 PolarHBondContact N-O 3.47Å; F796-L955 HydrophobicContact CE2-CB 3.73Å; F796-L955 HydrophobicContact CZ-CB 4.05Å
797I77Confident81.4Confident25 Ų2542.8 Ų42.813%0.12824%0.237CC..SBendtrans-97.8142.6175.3-66.8171.4000109.5V801 L802 A953I797-V801 HydrophobicContact CG2-CB 3.83Å; I797-V801 HydrophobicContact CG2-CG1 4.19Å; I797-L802 HydrophobicContact CG2-CB 4.36Å; I797-A953 VanDerWaalsContact CD1-CA 3.45Å; I797-A953 HydrophobicContact CD1-CB 3.42Å; I797-A953 VanDerWaalsContact CD1-CB 3.42Å; I797-A953 HydrophobicContact CG1-CB 4.31Å
798A69.7Low81.8Confident23 Ų2336.3 Ų36.319%0.1921%0.209CC..  trans-66.4138173.400000110.8S800 V801 L802A798-S800 PolarHBondContact O-N 3.17Å; A798-V801 HydrophobicContact CB-CG2 4.45Å; A798-V801 PolarHBondContact O-N 3.35Å; A798-L802 PolarHBondContact O-N 3.23Å
799D69.5Low82Confident94 Ų9434.2 Ų34.250%0.50320%0.196SC..THydrogen-bonded Turntrans-59-20.6179.8-157.639.5000112.6P803 L804D799-P803 WeakPolarHBondContact OD1-CA 2.98Å; D799-L804 PolarHBondContact OD1-N 3.22Å
800S60.4Low82.2Confident113 Ų11330.7 Ų30.779%0.7918%0.179SC*.THydrogen-bonded Turntrans-70.6-23173.359.40000114.9A798A798-S800 PolarHBondContact O-N 3.17Å
801V68.9Low82.2Confident88 Ų8830.1 Ų30.153%0.53318%0.176SC..THydrogen-bonded Turntrans-93.6-47.7-178.3179.70000110.6I797 A798 L896I797-V801 HydrophobicContact CG2-CB 3.83Å; I797-V801 HydrophobicContact CG2-CG1 4.19Å; A798-V801 HydrophobicContact CB-CG2 4.45Å; A798-V801 PolarHBondContact O-N 3.35Å; V801-L896 HydrophobicContact CG1-CD1 4.44Å
802L73.7Confident82.4Confident15 Ų1529.2 Ų29.28%0.07917%0.171CC..SBendtrans-143.3114.1176.1-149.476.2000109.1I797 A798 K806 V807 I948I797-L802 HydrophobicContact CG2-CB 4.36Å; A798-L802 PolarHBondContact O-N 3.23Å; L802-K806 HydrophobicContact CD1-CD 3.91Å; L802-K806 HydrophobicContact CD1-CG 4.05Å; L802-K806 HydrophobicContact CG-CB 4.26Å; L802-K806 HydrophobicContact CG-CD 4.38Å; L802-K806 HydrophobicContact CG-CG 4.07Å; L802-V807 HydrophobicContact CB-CG2 4.11Å; L802-V807 HydrophobicContact CD2-CG2 3.77Å; L802-V807 HydrophobicContact CG-CG2 4.17Å; L802-I948 HydrophobicContact CD2-CD1 3.73Å
803P81.4Confident82.4Confident63 Ų6327.8 Ų27.841%0.40916%0.164SC..  trans-66.1149.5-177.424.2-31.5000111D799 N805 K806 V807D799-P803 WeakPolarHBondContact OD1-CA 2.98Å; P803-N805 VanDerWaalsContact C-N 3.26Å; P803-N805 PolarHBondContact O-N 3.37Å; P803-N805 VanDerWaalsContact O-N 3.13Å; P803-K806 HydrophobicContact CG-CB 3.75Å; P803-K806 WeakPolarHBondContact O-CA 3.2Å; P803-K806 WeakPolarHBondContact O-CB 3.36Å; P803-K806 PolarHBondContact O-N 2.95Å; P803-V807 PolarHBondContact O-N 2.89Å
804L83.9Confident82.5Confident18 Ų1827.8 Ų27.89%0.09417%0.165CC..Hα-helixtrans-46.2-47.6-179.1172.858.8000113.2L793 L795 D799 K806 V807 L808 I882L793-L804 HydrophobicContact CD2-CD1 3.85Å; L795-L804 HydrophobicContact CD1-CD1 3.8Å; L795-L804 HydrophobicContact CD2-CD1 4.08Å; D799-L804 PolarHBondContact OD1-N 3.22Å; L804-K806 PolarHBondContact O-N 2.94Å; L804-V807 PolarHBondContact O-N 2.76Å; L804-L808 HydrophobicContact CD1-CD1 3.88Å; L804-L808 HydrophobicContact CD1-CD2 4.48Å; L804-L808 HydrophobicContact CD1-CG 3.87Å; L804-L808 HydrophobicContact CG-CD1 4.02Å; L804-L808 HydrophobicContact CG-CG 4.41Å; L804-L808 WeakPolarHBondContact O-CB 3.14Å; L804-L808 WeakPolarHBondContact O-CG 3.18Å; L804-L808 PolarHBondContact O-N 3.33Å; L804-I882 HydrophobicContact CD2-CD1 3.87Å
805N84.4Confident82.7Confident73 Ų7328 Ų2839%0.3917%0.165SC..Hα-helixtrans-60.5-34.4-179.7-68.2-15.1000112.1P803 A809 L834 L864P803-N805 VanDerWaalsContact C-N 3.26Å; P803-N805 PolarHBondContact O-N 3.37Å; P803-N805 VanDerWaalsContact O-N 3.13Å; N805-A809 WeakPolarHBondContact O-CB 3.38Å; N805-A809 PolarHBondContact O-N 3.45Å; N805-L834 HydrophobicContact CB-CD2 4.07Å; N805-L864 HydrophobicContact CB-CD2 3.83Å
806K85.5Confident82.8Confident35 Ų3530.1 Ų30.115%0.15218%0.181CC..Hα-helixtrans-75.9-40177.6-170.7160.9179.81580111.7L802 P803 L804 L808 A809 V810 D861 L864 Y908L802-K806 HydrophobicContact CD1-CD 3.91Å; L802-K806 HydrophobicContact CD1-CG 4.05Å; L802-K806 HydrophobicContact CG-CB 4.26Å; L802-K806 HydrophobicContact CG-CD 4.38Å; L802-K806 HydrophobicContact CG-CG 4.07Å; P803-K806 HydrophobicContact CG-CB 3.75Å; P803-K806 WeakPolarHBondContact O-CA 3.2Å; P803-K806 WeakPolarHBondContact O-CB 3.36Å; P803-K806 PolarHBondContact O-N 2.95Å; L804-K806 PolarHBondContact O-N 2.94Å; K806-L808 PolarHBondContact O-N 3.1Å; K806-A809 PolarHBondContact O-N 2.99Å; K806-V810 HydrophobicContact CG-CG2 4.49Å; K806-V810 WeakPolarHBondContact O-CB 3.28Å; K806-V810 VanDerWaalsContact O-CG2 3.22Å; K806-V810 WeakPolarHBondContact O-CG2 3.44Å; K806-V810 PolarHBondContact O-N 3.47Å; K806-D861 WeakPolarHBondContact CE-OD1 3.45Å; K806-D861 IonicContact NZ-OD1 2.7Å; K806-D861 PolarHBondContact NZ-OD1 3.46Å; K806-D861 IonicContact NZ-OD2 3.41Å; K806-D861 PolarHBondContact NZ-OD2 3.25Å; K806-L864 HydrophobicContact CB-CD1 4.11Å; K806-L864 HydrophobicContact CD-CD1 4.49Å; K806-L864 HydrophobicContact CG-CD1 4.1Å; K806-Y908 WeakPolarHBondContact CE-OH 3.47Å; K806-Y908 PolarHBondContact NZ-OH 3.42Å
807V86.9Confident82.9Confident4 Ų434.5 Ų34.52%0.02420%0.2CC..Hα-helixtrans-56.5-50.7170.9177.40000110.3L795 L802 P803 L804 A809 V810 V811 I948 A954L795-V807 HydrophobicContact CD2-CG1 4.36Å; L802-V807 HydrophobicContact CB-CG2 4.11Å; L802-V807 HydrophobicContact CD2-CG2 3.77Å; L802-V807 HydrophobicContact CG-CG2 4.17Å; P803-V807 PolarHBondContact O-N 2.89Å; L804-V807 PolarHBondContact O-N 2.76Å; V807-A809 PolarHBondContact O-N 3.24Å; V807-V810 PolarHBondContact O-N 3.15Å; V807-V811 HydrophobicContact CG1-CG2 4.47Å; V807-V811 WeakPolarHBondContact O-CG2 3.43Å; V807-V811 PolarHBondContact O-N 2.66Å; V807-I948 HydrophobicContact CG1-CD1 4.26Å; V807-A954 HydrophobicContact CG1-CB 4.45Å
808L88.8Confident83.2Confident1 Ų134.1 Ų34.11%0.00520%0.199CC..Hα-helixtrans-62.8-42.8179.7-71.9179.2000112.3L793 L804 K806 G812 F829 V830 K833 F956L793-L808 HydrophobicContact CD2-CD2 4Å; L804-L808 HydrophobicContact CD1-CD1 3.88Å; L804-L808 HydrophobicContact CD1-CD2 4.48Å; L804-L808 HydrophobicContact CD1-CG 3.87Å; L804-L808 HydrophobicContact CG-CD1 4.02Å; L804-L808 HydrophobicContact CG-CG 4.41Å; L804-L808 WeakPolarHBondContact O-CB 3.14Å; L804-L808 WeakPolarHBondContact O-CG 3.18Å; L804-L808 PolarHBondContact O-N 3.33Å; K806-L808 PolarHBondContact O-N 3.1Å; L808-G812 WeakPolarHBondContact O-CA 3.35Å; L808-G812 PolarHBondContact O-N 2.86Å; L808-F829 HydrophobicContact CD1-CE1 4.03Å; L808-F829 HydrophobicContact CD2-CD1 4.27Å; L808-F829 HydrophobicContact CD2-CE1 3.87Å; L808-V830 HydrophobicContact CB-CG1 4.47Å; L808-V830 HydrophobicContact CB-CG2 4.12Å; L808-V830 HydrophobicContact CD2-CG2 4.22Å; L808-V830 WeakPolarHBondContact O-CG1 3.48Å; L808-V830 WeakPolarHBondContact O-CG2 3.42Å; L808-K833 HydrophobicContact CD1-CG 3.97Å; L808-F956 HydrophobicContact CD2-CE1 4.15Å; L808-F956 HydrophobicContact CD2-CZ 4.46Å
809A88.6Confident83.7Confident0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-63.8-42.217800000112.4N805 K806 V807 T813 L834 V860 M863 L864N805-A809 WeakPolarHBondContact O-CB 3.38Å; N805-A809 PolarHBondContact O-N 3.45Å; K806-A809 PolarHBondContact O-N 2.99Å; V807-A809 PolarHBondContact O-N 3.24Å; A809-T813 VanDerWaalsContact O-CB 3.27Å; A809-T813 WeakPolarHBondContact O-CB 3.23Å; A809-T813 PolarHBondContact O-N 2.89Å; A809-T813 PolarHBondContact O-OG1 3.23Å; A809-L834 HydrophobicContact CB-CD1 3.93Å; A809-V860 HydrophobicContact CB-CG1 3.34Å; A809-M863 HydrophobicContact CB-CE 3.4Å; A809-L864 HydrophobicContact CB-CD1 4.17Å; A809-L864 HydrophobicContact CB-CG 4.33Å
810V90.5Very high84.1Confident0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-65.5-51.8177.4170.30000110.8K806 V807 T813 A814 V860 Y908 V910 I948K806-V810 HydrophobicContact CG-CG2 4.49Å; K806-V810 WeakPolarHBondContact O-CB 3.28Å; K806-V810 VanDerWaalsContact O-CG2 3.22Å; K806-V810 WeakPolarHBondContact O-CG2 3.44Å; K806-V810 PolarHBondContact O-N 3.47Å; V807-V810 PolarHBondContact O-N 3.15Å; V810-T813 PolarHBondContact O-N 2.86Å; V810-A814 PolarHBondContact O-N 2.97Å; V810-V860 HydrophobicContact CG2-CG1 4.2Å; V810-V860 HydrophobicContact CG2-CG2 4.2Å; V810-Y908 HydrophobicContact CG1-CG 4.47Å; V810-Y908 HydrophobicContact CG2-CD2 3.96Å; V810-Y908 HydrophobicContact CG2-CE2 4.35Å; V810-Y908 HydrophobicContact CG2-CG 4.21Å; V810-V910 HydrophobicContact CG1-CG2 3.33Å; V810-I948 HydrophobicContact CB-CD1 4.5Å; V810-I948 HydrophobicContact CG1-CD1 4.17Å; V810-I948 HydrophobicContact CG1-CG1 4.36Å
811V91.6Very high85.1Confident0 Ų040.5 Ų40.50%022%0.216CC..Hα-helixtrans-66.7-43.4-179.2177.20000111.5V807 T813 A814 E815 I826 V912 A946 I948 F956V807-V811 HydrophobicContact CG1-CG2 4.47Å; V807-V811 WeakPolarHBondContact O-CG2 3.43Å; V807-V811 PolarHBondContact O-N 2.66Å; V811-T813 VanDerWaalsContact C-N 3.3Å; V811-T813 PolarHBondContact O-N 3.18Å; V811-A814 WeakPolarHBondContact O-CB 3.4Å; V811-A814 PolarHBondContact O-N 3.28Å; V811-A814 VanDerWaalsContact O-N 3.16Å; V811-E815 PolarHBondContact O-N 3.43Å; V811-I826 HydrophobicContact CG1-CG2 4.12Å; V811-V912 HydrophobicContact CG1-CG2 4.22Å; V811-A946 HydrophobicContact CG1-CB 4.41Å; V811-A946 HydrophobicContact CG2-CB 3.87Å; V811-I948 HydrophobicContact CG2-CD1 4.48Å; V811-F956 HydrophobicContact CB-CZ 4.19Å; V811-F956 HydrophobicContact CG1-CE2 3.87Å; V811-F956 HydrophobicContact CG1-CZ 3.79Å; V811-F956 HydrophobicContact CG2-CE2 4.32Å; V811-F956 HydrophobicContact CG2-CZ 4.29Å
812G90.6Very high85.9Confident0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-61.8-38.1176.700000112.4L808 E815 S816 L839L808-G812 WeakPolarHBondContact O-CA 3.35Å; L808-G812 PolarHBondContact O-N 2.86Å; G812-E815 PolarHBondContact O-N 3.47Å; G812-S816 PolarHBondContact O-N 2.85Å; G812-L839 WeakPolarHBondContact O-CD1 3.3Å
813T91.3Very high86.6Confident0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-67.7-38174.9-57.30000111.8A809 V810 V811 S816 G840 C842 V857A809-T813 VanDerWaalsContact O-CB 3.27Å; A809-T813 WeakPolarHBondContact O-CB 3.23Å; A809-T813 PolarHBondContact O-N 2.89Å; A809-T813 PolarHBondContact O-OG1 3.23Å; V810-T813 PolarHBondContact O-N 2.86Å; V811-T813 VanDerWaalsContact C-N 3.3Å; V811-T813 PolarHBondContact O-N 3.18Å; T813-S816 WeakPolarHBondContact O-CB 3.45Å; T813-S816 PolarHBondContact O-N 3.46Å; T813-S816 PolarHBondContact O-OG 3.49Å; T813-G840 VanDerWaalsContact CG2-O 3.24Å; T813-G840 WeakPolarHBondContact CG2-O 3.41Å; T813-G840 PolarHBondContact OG1-N 3.21Å; T813-G840 VanDerWaalsContact OG1-N 3.16Å; T813-C842 HydrophobicContact CG2-CB 4.45Å; T813-V857 HydrophobicContact CG2-CG1 3.57Å; T813-V857 HydrophobicContact CG2-CG2 4.32Å
814A91.8Very high86.8Confident1 Ų137.3 Ų37.31%0.00819%0.191CC..Hα-helixtrans-62.7-43.5174.400000112.1V810 V811 S816 I853 A855 V857 V910V810-A814 PolarHBondContact O-N 2.97Å; V811-A814 WeakPolarHBondContact O-CB 3.4Å; V811-A814 PolarHBondContact O-N 3.28Å; V811-A814 VanDerWaalsContact O-N 3.16Å; A814-S816 VanDerWaalsContact C-N 3.3Å; A814-S816 PolarHBondContact O-N 3.38Å; A814-I853 HydrophobicContact CB-CD1 4.3Å; A814-I853 WeakPolarHBondContact O-CD1 3.15Å; A814-A855 HydrophobicContact CB-CB 4.08Å; A814-V857 HydrophobicContact CB-CG2 3.79Å; A814-V910 HydrophobicContact CB-CB 3.98Å; A814-V910 HydrophobicContact CB-CG1 3.8Å; A814-V910 HydrophobicContact CB-CG2 4.37Å
815E91.5Very high87Confident8 Ų836.9 Ų36.94%0.03719%0.19CC..Hα-helixtrans-78-8.9179.3-72.3-71.8176.200113.7V811 G812 K817 S818 G823 I826 V827 I853 V912V811-E815 PolarHBondContact O-N 3.43Å; G812-E815 PolarHBondContact O-N 3.47Å; E815-K817 PolarHBondContact O-N 2.84Å; E815-K817 VanDerWaalsContact O-N 3.14Å; E815-S818 WeakPolarHBondContact O-CB 3.39Å; E815-S818 PolarHBondContact O-N 3.27Å; E815-S818 WeakPolarHBondContact OE2-CB 3.4Å; E815-S818 PolarHBondContact OE2-OG 2.96Å; E815-G823 WeakPolarHBondContact OE2-CA 3.38Å; E815-I826 HydrophobicContact CG-CD1 4.28Å; E815-I826 HydrophobicContact CG-CG2 4.4Å; E815-V827 HydrophobicContact CB-CG2 3.79Å; E815-I853 HydrophobicContact CG-CD1 3.9Å; E815-I853 WeakPolarHBondContact OE1-CD1 3.28Å; E815-V912 VanDerWaalsContact OE1-CG1 3.24Å; E815-V912 WeakPolarHBondContact OE1-CG1 3.18Å
816S89.2Confident87.3Confident53 Ų5333.4 Ų33.437%0.37117%0.171SC..THydrogen-bonded Turntrans-60-26.7-177.868.30000114.4G812 T813 A814G812-S816 PolarHBondContact O-N 2.85Å; T813-S816 WeakPolarHBondContact O-CB 3.45Å; T813-S816 PolarHBondContact O-N 3.46Å; T813-S816 PolarHBondContact O-OG 3.49Å; A814-S816 VanDerWaalsContact C-N 3.3Å; A814-S816 PolarHBondContact O-N 3.38Å
817K85.5Confident87.5Confident111 Ų11132.6 Ų32.648%0.48317%0.169SC..THydrogen-bonded Turntrans-92.8-1.1175-68.8-170.7-178.2174.70113.7E815 C842 F845E815-K817 PolarHBondContact O-N 2.84Å; E815-K817 VanDerWaalsContact O-N 3.14Å; K817-C842 HydrophobicContact CD-CB 4.26Å; K817-C842 WeakPolarHBondContact CE-O 3.39Å; K817-C842 HydrophobicContact CG-CB 4.48Å; K817-C842 PolarHBondContact NZ-O 3.45Å; K817-F845 HydrophobicContact CB-CD1 4.22Å; K817-F845 HydrophobicContact CB-CD2 3.8Å; K817-F845 HydrophobicContact CB-CE1 4.27Å; K817-F845 HydrophobicContact CB-CE2 3.87Å; K817-F845 HydrophobicContact CB-CG 3.98Å; K817-F845 HydrophobicContact CB-CZ 4.1Å; K817-F845 HydrophobicContact CD-CB 4Å; K817-F845 HydrophobicContact CD-CG 4.19Å
818S83.7Confident87.5Confident17 Ų1738.5 Ų38.512%0.11919%0.194CC..  trans-84.3119.6-178.8-170.60000110.3E815 H820E815-S818 WeakPolarHBondContact O-CB 3.39Å; E815-S818 PolarHBondContact O-N 3.27Å; E815-S818 WeakPolarHBondContact OE2-CB 3.4Å; E815-S818 PolarHBondContact OE2-OG 2.96Å; S818-H820 PolarHBondContact O-N 3.08Å
819E79.5Confident87.5Confident184 Ų18439.1 Ų39.186%0.8620%0.197SC*.  trans-81.1-4.8173-62.5-176.6168.100112.3
820H78.2Confident87.4Confident108 Ų10839.1 Ų39.150%0.520%0.197SC..SBendtrans-69.1139.1-177.4-162.8-87.8000110.6S818 I822 G823 I824S818-H820 PolarHBondContact O-N 3.08Å; H820-I822 WeakPolarHBondContact CE1-CD1 3.34Å; H820-I822 VanDerWaalsContact CE1-CG1 3.5Å; H820-I822 WeakPolarHBondContact CE1-CG1 3.35Å; H820-I822 WeakPolarHBondContact ND1-CB 3.26Å; H820-I822 WeakPolarHBondContact ND1-CG1 3.37Å; H820-I822 PolarHBondContact ND1-N 3Å; H820-I822 PolarHBondContact O-N 3.46Å; H820-G823 WeakPolarHBondContact O-CA 3.27Å; H820-G823 PolarHBondContact O-N 2.89Å; H820-I824 PolarHBondContact O-N 2.73Å
821P80.7Confident87.2Confident72 Ų7242.3 Ų42.347%0.46821%0.212SC..Hα-helixtrans-54.3-30.2179.9-28.734.7000114.6P788 S825P788-P821 HydrophobicContact CG-CB 3.77Å; P821-S825 PolarHBondContact O-N 3.22Å
822I87Confident86.9Confident29 Ų2946.2 Ų46.215%0.14924%0.239CC..Hα-helixtrans-66-47.8172.8-62.2175000111.2H820 I824 S825 I826 I942 V944 I958H820-I822 WeakPolarHBondContact CE1-CD1 3.34Å; H820-I822 VanDerWaalsContact CE1-CG1 3.5Å; H820-I822 WeakPolarHBondContact CE1-CG1 3.35Å; H820-I822 WeakPolarHBondContact ND1-CB 3.26Å; H820-I822 WeakPolarHBondContact ND1-CG1 3.37Å; H820-I822 PolarHBondContact ND1-N 3Å; H820-I822 PolarHBondContact O-N 3.46Å; I822-I824 VanDerWaalsContact C-N 3.33Å; I822-I824 PolarHBondContact O-N 3.28Å; I822-S825 PolarHBondContact O-N 3.09Å; I822-S825 PolarHBondContact O-OG 3.12Å; I822-I826 HydrophobicContact CG2-CD1 4.19Å; I822-I826 WeakPolarHBondContact O-CG1 3.47Å; I822-I826 PolarHBondContact O-N 3.5Å; I822-I826 VanDerWaalsContact O-N 3.1Å; I822-I942 HydrophobicContact CD1-CG2 3.8Å; I822-V944 HydrophobicContact CD1-CG2 4.41Å; I822-V944 HydrophobicContact CG2-CG2 3.88Å; I822-I958 HydrophobicContact CB-CD1 4.28Å; I822-I958 HydrophobicContact CG2-CD1 3.4Å; I822-I958 VanDerWaalsContact CG2-CD1 3.4Å
823G87.3Confident86.4Confident0 Ų048.3 Ų48.30%025%0.248CC..Hα-helixtrans-63.2-43178.200000111.3E815 H820 S825 I826 V827E815-G823 WeakPolarHBondContact OE2-CA 3.38Å; H820-G823 WeakPolarHBondContact O-CA 3.27Å; H820-G823 PolarHBondContact O-N 2.89Å; G823-S825 VanDerWaalsContact C-N 3.33Å; G823-S825 PolarHBondContact O-N 3.11Å; G823-I826 PolarHBondContact O-N 3.26Å; G823-V827 WeakPolarHBondContact O-CB 3.37Å; G823-V827 VanDerWaalsContact O-CG2 3.25Å; G823-V827 WeakPolarHBondContact O-CG2 3.41Å; G823-V827 PolarHBondContact O-N 2.93Å
824I86.6Confident85.9Confident70 Ų7048.9 Ų48.936%0.35925%0.251SS..Hα-helixtrans-60.6-40.1175.9-62.7169.8000111.6H820 I822 K828H820-I824 PolarHBondContact O-N 2.73Å; I822-I824 VanDerWaalsContact C-N 3.33Å; I822-I824 PolarHBondContact O-N 3.28Å; I824-K828 HydrophobicContact CG2-CD 4Å; I824-K828 HydrophobicContact CG2-CG 4.37Å; I824-K828 WeakPolarHBondContact O-CB 3.45Å; I824-K828 VanDerWaalsContact O-CG 3.26Å; I824-K828 WeakPolarHBondContact O-CG 3.43Å; I824-K828 PolarHBondContact O-N 2.84Å
825S87.6Confident85.1Confident8 Ų852.1 Ų52.16%0.05629%0.285CS..Hα-helixtrans-69.2-38.3179.571.80000112.1P788 P821 I822 G823 F829P788-S825 WeakPolarHBondContact O-CB 3.41Å; P821-S825 PolarHBondContact O-N 3.22Å; I822-S825 PolarHBondContact O-N 3.09Å; I822-S825 PolarHBondContact O-OG 3.12Å; G823-S825 VanDerWaalsContact C-N 3.33Å; G823-S825 PolarHBondContact O-N 3.11Å; S825-F829 WeakPolarHBondContact O-CB 3.33Å; S825-F829 PolarHBondContact O-N 3.45Å
826I90.9Very high84.3Confident0 Ų052.7 Ų52.70%029%0.289CS..Hα-helixtrans-63.8-50.4173-64.9168.8000110.1V811 E815 I822 G823 K828 F829 V830 F956 I958V811-I826 HydrophobicContact CG1-CG2 4.12Å; E815-I826 HydrophobicContact CG-CD1 4.28Å; E815-I826 HydrophobicContact CG-CG2 4.4Å; I822-I826 HydrophobicContact CG2-CD1 4.19Å; I822-I826 WeakPolarHBondContact O-CG1 3.47Å; I822-I826 PolarHBondContact O-N 3.5Å; I822-I826 VanDerWaalsContact O-N 3.1Å; G823-I826 PolarHBondContact O-N 3.26Å; I826-K828 PolarHBondContact O-N 3.45Å; I826-F829 WeakPolarHBondContact O-CB 3.1Å; I826-F829 PolarHBondContact O-N 3.46Å; I826-V830 HydrophobicContact CG2-CG2 4.29Å; I826-V830 VanDerWaalsContact O-CG2 3.26Å; I826-V830 WeakPolarHBondContact O-CG2 3.34Å; I826-V830 PolarHBondContact O-N 3.1Å; I826-F956 HydrophobicContact CD1-CB 4.44Å; I826-F956 HydrophobicContact CD1-CD1 4.46Å; I826-F956 HydrophobicContact CD1-CG 4.32Å; I826-F956 HydrophobicContact CG1-CD1 4.25Å; I826-F956 HydrophobicContact CG2-CE1 4.32Å; I826-I958 HydrophobicContact CD1-CD1 4.09Å; I826-I958 HydrophobicContact CG1-CD1 3.94Å
827V90.2Very high83.5Confident18 Ų1858.7 Ų58.711%0.10931%0.311CS..Hα-helixtrans-58.5-46179.41700000111.3E815 G823 F829 V830 Q831 L839E815-V827 HydrophobicContact CB-CG2 3.79Å; G823-V827 WeakPolarHBondContact O-CB 3.37Å; G823-V827 VanDerWaalsContact O-CG2 3.25Å; G823-V827 WeakPolarHBondContact O-CG2 3.41Å; G823-V827 PolarHBondContact O-N 2.93Å; V827-F829 VanDerWaalsContact C-N 3.35Å; V827-F829 PolarHBondContact O-N 2.98Å; V827-V830 PolarHBondContact O-N 2.9Å; V827-Q831 HydrophobicContact CG1-CG 4.24Å; V827-Q831 WeakPolarHBondContact O-CB 3.49Å; V827-Q831 WeakPolarHBondContact O-CG 3.34Å; V827-Q831 PolarHBondContact O-N 2.93Å; V827-L839 HydrophobicContact CG1-CD1 3.98Å
828K86.7Confident83Confident128 Ų12864 Ų6456%0.55733%0.328SS*.Hα-helixtrans-60.9-42.8176.8-78.9177179.2175.20112.3I824 I826 S832I824-K828 HydrophobicContact CG2-CD 4Å; I824-K828 HydrophobicContact CG2-CG 4.37Å; I824-K828 WeakPolarHBondContact O-CB 3.45Å; I824-K828 VanDerWaalsContact O-CG 3.26Å; I824-K828 WeakPolarHBondContact O-CG 3.43Å; I824-K828 PolarHBondContact O-N 2.84Å; I826-K828 PolarHBondContact O-N 3.45Å; K828-S832 VanDerWaalsContact O-CB 3.27Å; K828-S832 WeakPolarHBondContact O-CB 3.31Å; K828-S832 PolarHBondContact O-N 2.79Å
829F87.7Confident82.9Confident15 Ų1564.6 Ų64.67%0.06633%0.33CS..Hα-helixtrans-61.8-45.5175.5174.7-99.9000111.2L790 L808 S825 I826 V827 S832 K833 M878 V880L790-F829 HydrophobicContact CB-CB 4.41Å; L790-F829 HydrophobicContact CB-CD2 4.48Å; L790-F829 HydrophobicContact CB-CG 4.35Å; L790-F829 HydrophobicContact CD2-CB 4.27Å; L790-F829 HydrophobicContact CD2-CD1 3.39Å; L790-F829 HydrophobicContact CD2-CD2 4Å; L790-F829 HydrophobicContact CD2-CE1 3.59Å; L790-F829 HydrophobicContact CD2-CE2 4.18Å; L790-F829 HydrophobicContact CD2-CG 3.6Å; L790-F829 HydrophobicContact CD2-CZ 3.98Å; L808-F829 HydrophobicContact CD1-CE1 4.03Å; L808-F829 HydrophobicContact CD2-CD1 4.27Å; L808-F829 HydrophobicContact CD2-CE1 3.87Å; S825-F829 WeakPolarHBondContact O-CB 3.33Å; S825-F829 PolarHBondContact O-N 3.45Å; I826-F829 WeakPolarHBondContact O-CB 3.1Å; I826-F829 PolarHBondContact O-N 3.46Å; V827-F829 VanDerWaalsContact C-N 3.35Å; V827-F829 PolarHBondContact O-N 2.98Å; F829-S832 PolarHBondContact O-N 3.31Å; F829-K833 VanDerWaalsContact O-CB 3.28Å; F829-K833 WeakPolarHBondContact O-CB 3.4Å; F829-K833 PolarHBondContact O-N 2.99Å; F829-M878 HydrophobicContact CD2-CE 3.85Å; F829-M878 HydrophobicContact CE2-CE 3.87Å; F829-V880 HydrophobicContact CD2-CG2 3.89Å; F829-V880 HydrophobicContact CE2-CB 3.94Å; F829-V880 HydrophobicContact CE2-CG1 4.17Å; F829-V880 HydrophobicContact CE2-CG2 3.44Å; F829-V880 VanDerWaalsContact CE2-CG2 3.44Å; F829-V880 HydrophobicContact CZ-CB 4.41Å; F829-V880 HydrophobicContact CZ-CG1 4.28Å; F829-V880 HydrophobicContact CZ-CG2 4.34Å
830V88Confident83Confident0 Ų056.6 Ų56.60%030%0.297CS..Hα-helixtrans-64.5-47.2179.6173.80000111.7L808 I826 V827 S832 K833 L834 L839L808-V830 HydrophobicContact CB-CG1 4.47Å; L808-V830 HydrophobicContact CB-CG2 4.12Å; L808-V830 HydrophobicContact CD2-CG2 4.22Å; L808-V830 WeakPolarHBondContact O-CG1 3.48Å; L808-V830 WeakPolarHBondContact O-CG2 3.42Å; I826-V830 HydrophobicContact CG2-CG2 4.29Å; I826-V830 VanDerWaalsContact O-CG2 3.26Å; I826-V830 WeakPolarHBondContact O-CG2 3.34Å; I826-V830 PolarHBondContact O-N 3.1Å; V827-V830 PolarHBondContact O-N 2.9Å; V830-S832 VanDerWaalsContact C-N 3.33Å; V830-S832 PolarHBondContact O-N 3.14Å; V830-K833 PolarHBondContact O-N 3.02Å; V830-L834 HydrophobicContact CG1-CD1 3.54Å; V830-L834 HydrophobicContact CG1-CG 4.2Å; V830-L834 WeakPolarHBondContact O-CB 3.39Å; V830-L834 WeakPolarHBondContact O-CG 3.21Å; V830-L834 PolarHBondContact O-N 3.26Å; V830-L839 HydrophobicContact CG1-CD2 4.06Å
831Q86.2Confident83.3Confident67 Ų6752.9 Ų52.931%0.31329%0.285SS..Hα-helixtrans-60-43177.2-73.8176.5-2900111.6V827 G835 T836 E837 L839V827-Q831 HydrophobicContact CG1-CG 4.24Å; V827-Q831 WeakPolarHBondContact O-CB 3.49Å; V827-Q831 WeakPolarHBondContact O-CG 3.34Å; V827-Q831 PolarHBondContact O-N 2.93Å; Q831-G835 WeakPolarHBondContact O-CA 3.02Å; Q831-G835 PolarHBondContact O-N 3.15Å; Q831-T836 PolarHBondContact O-N 2.97Å; Q831-E837 PolarHBondContact NE2-O 3.26Å; Q831-E837 VanDerWaalsContact NE2-O 3.14Å; Q831-L839 HydrophobicContact CG-CD1 4.49Å
832S83.9Confident83.6Confident81 Ų8150.1 Ų50.157%0.56627%0.267SS*.Hα-helixtrans-65.4-41.4176.6-1750000112.1K828 F829 V830 M878K828-S832 VanDerWaalsContact O-CB 3.27Å; K828-S832 WeakPolarHBondContact O-CB 3.31Å; K828-S832 PolarHBondContact O-N 2.79Å; F829-S832 PolarHBondContact O-N 3.31Å; V830-S832 VanDerWaalsContact C-N 3.33Å; V830-S832 PolarHBondContact O-N 3.14Å; S832-M878 WeakPolarHBondContact OG-CE 3.46Å
833K80.8Confident83.7Confident45 Ų4553.2 Ų53.220%0.19628%0.279CS..Hα-helixtrans-72-39.6-179-176.358.2-179.9168.80113.1L808 F829 V830 L875 M878L808-K833 HydrophobicContact CD1-CG 3.97Å; F829-K833 VanDerWaalsContact O-CB 3.28Å; F829-K833 WeakPolarHBondContact O-CB 3.4Å; F829-K833 PolarHBondContact O-N 2.99Å; V830-K833 PolarHBondContact O-N 3.02Å; K833-L875 HydrophobicContact CD-CD1 4.33Å; K833-M878 HydrophobicContact CB-CE 4.45Å; K833-M878 HydrophobicContact CD-SD 4.16Å
834L80.5Confident83.7Confident11 Ų1160.1 Ų60.16%0.05832%0.316CS..Hα-helixtrans-86.5-18.5-179.2-63.8177.7000113.2N805 A809 V830 T836 M863N805-L834 HydrophobicContact CB-CD2 4.07Å; A809-L834 HydrophobicContact CB-CD1 3.93Å; V830-L834 HydrophobicContact CG1-CD1 3.54Å; V830-L834 HydrophobicContact CG1-CG 4.2Å; V830-L834 WeakPolarHBondContact O-CB 3.39Å; V830-L834 WeakPolarHBondContact O-CG 3.21Å; V830-L834 PolarHBondContact O-N 3.26Å; L834-T836 VanDerWaalsContact C-N 3.25Å; L834-T836 PolarHBondContact O-N 3.38Å; L834-M863 HydrophobicContact CD1-CE 3.55Å
835G74.9Confident83.8Confident69 Ų6959.8 Ų59.871%0.71131%0.311SS*.THydrogen-bonded Turntrans68.522.9-176.100000113.6Q831Q831-G835 WeakPolarHBondContact O-CA 3.02Å; Q831-G835 PolarHBondContact O-N 3.15Å
836T75.6Confident84Confident21 Ų2164.3 Ų64.313%0.12933%0.332CS..  trans-120.2123.3-177.155.10000110.7Q831 L834 M863Q831-T836 PolarHBondContact O-N 2.97Å; L834-T836 VanDerWaalsContact C-N 3.25Å; L834-T836 PolarHBondContact O-N 3.38Å; T836-M863 HydrophobicContact CG2-CG 4.5Å
837E72.4Confident83.8Confident179 Ų17967.2 Ų67.284%0.83636%0.356SS*.SBendtrans-74.8-32.9175.7-67.2-174.7168.500112.5Q831Q831-E837 PolarHBondContact NE2-O 3.26Å; Q831-E837 VanDerWaalsContact NE2-O 3.14Å
838R74.6Confident83.6Confident221 Ų22168.1 Ų68.183%0.83436%0.363SS*.  trans-95.3124.3178.8-65.8-174.9-178.91780.2110.4
839L81.7Confident83.3Confident31 Ų3167.9 Ų67.916%0.16237%0.374CS..  trans-92.8178.1173.5-63.8173000110.8G812 V827 V830 Q831 M863G812-L839 WeakPolarHBondContact O-CD1 3.3Å; V827-L839 HydrophobicContact CG1-CD1 3.98Å; V830-L839 HydrophobicContact CG1-CD2 4.06Å; Q831-L839 HydrophobicContact CG-CD1 4.49Å; L839-M863 VanDerWaalsContact CA-SD 3.59Å; L839-M863 HydrophobicContact CB-SD 4.44Å; L839-M863 HydrophobicContact CD2-SD 3.87Å
840G81.4Confident82.9Confident16 Ų1670.6 Ų70.617%0.16541%0.407CS..  trans-69.7-172.5179.300000113.9T813T813-G840 VanDerWaalsContact CG2-O 3.24Å; T813-G840 WeakPolarHBondContact CG2-O 3.41Å; T813-G840 PolarHBondContact OG1-N 3.21Å; T813-G840 VanDerWaalsContact OG1-N 3.16Å
841A85.4Confident82.8Confident30 Ų3074.2 Ų74.225%0.24842%0.423CS..EExtended strand (participates in β ladder)trans-92.4122.4179.900000111.8S858 E859A841-S858 WeakPolarHBondContact CB-OG 3.35Å; A841-S858 PolarHBondContact N-O 2.87Å; A841-S858 PolarHBondContact O-N 3.28Å; A841-S858 PolarHBondContact O-OG 3.21Å; A841-E859 HydrophobicContact CB-CB 4.43Å; A841-E859 HydrophobicContact CB-CG 4.23Å
842C86.6Confident83Confident14 Ų1471.9 Ų71.910%0.09542%0.417CS..EExtended strand (participates in β ladder)trans-98.6117.7177.4176.30000111.6T813 K817T813-C842 HydrophobicContact CG2-CB 4.45Å; K817-C842 HydrophobicContact CD-CB 4.26Å; K817-C842 WeakPolarHBondContact CE-O 3.39Å; K817-C842 HydrophobicContact CG-CB 4.48Å; K817-C842 PolarHBondContact NZ-O 3.45Å
843K88.7Confident83.4Confident93 Ų9368.4 Ų68.440%0.40439%0.392SS..EExtended strand (participates in β ladder)trans-106.5155.7174.8-58.4173.1-171.9162.40110F845 V856 S858 D907K843-F845 VanDerWaalsContact C-N 3.32Å; K843-F845 PolarHBondContact O-N 3.02Å; K843-V856 WeakPolarHBondContact CA-O 3.03Å; K843-V856 HydrophobicContact CB-CB 4.3Å; K843-V856 PolarHBondContact N-O 3.02Å; K843-V856 PolarHBondContact O-N 3.13Å; K843-V856 VanDerWaalsContact O-O 3.14Å; K843-S858 WeakPolarHBondContact CE-OG 3.34Å; K843-D907 IonicContact NZ-OD1 3.1Å; K843-D907 PolarHBondContact NZ-OD1 3.3Å; K843-D907 VanDerWaalsContact NZ-OD1 3.1Å; K843-D907 IonicContact NZ-OD2 3.03Å; K843-D907 PolarHBondContact NZ-OD2 3.24Å
844L87.4Confident84Confident146 Ų14670.6 Ų70.676%0.76440%0.399SS*.EExtended strand (participates in β ladder)trans50.443.6173.5-63.3170.3000114.8Q846 V856L844-Q846 PolarHBondContact O-N 3.25Å; L844-V856 HydrophobicContact CB-CG2 4.28Å; L844-V856 HydrophobicContact CD1-CG2 4Å
845F89.1Confident84.6Confident62 Ų6270 Ų7027%0.27240%0.397SS..EExtended strand (participates in β ladder)trans-69.5122.5177.8-179.1-95.2000111K817 K843 A847 I853 R854 A855K817-F845 HydrophobicContact CB-CD1 4.22Å; K817-F845 HydrophobicContact CB-CD2 3.8Å; K817-F845 HydrophobicContact CB-CE1 4.27Å; K817-F845 HydrophobicContact CB-CE2 3.87Å; K817-F845 HydrophobicContact CB-CG 3.98Å; K817-F845 HydrophobicContact CB-CZ 4.1Å; K817-F845 HydrophobicContact CD-CB 4Å; K817-F845 HydrophobicContact CD-CG 4.19Å; K843-F845 VanDerWaalsContact C-N 3.32Å; K843-F845 PolarHBondContact O-N 3.02Å; F845-A847 HydrophobicContact CE1-CB 3.88Å; F845-A847 HydrophobicContact CZ-CB 4.1Å; F845-I853 HydrophobicContact CE2-CB 4.14Å; F845-I853 HydrophobicContact CE2-CD1 4.02Å; F845-I853 HydrophobicContact CE2-CG2 3.99Å; F845-I853 HydrophobicContact CZ-CB 4.5Å; F845-I853 HydrophobicContact CZ-CG2 3.91Å; F845-R854 WeakPolarHBondContact CA-O 3.38Å; F845-A855 HydrophobicContact CD2-CB 4.38Å
846Q90.9Very high85.4Confident104 Ų10468.1 Ų68.149%0.48637%0.371SS..EExtended strand (participates in β ladder)trans-127.9125.7174.6-177.7-178.98.600108.8L844 I853 R854L844-Q846 PolarHBondContact O-N 3.25Å; Q846-I853 CarbonylContact O-C 3.55Å; Q846-I853 VanDerWaalsContact O-CA 3.27Å; Q846-I853 WeakPolarHBondContact O-CA 3.27Å; Q846-R854 HydrophobicContact CB-CB 4.42Å; Q846-R854 PolarHBondContact N-O 3.46Å; Q846-R854 PolarHBondContact O-N 3.48Å
847A86.6Confident86.1Confident61 Ų6167.1 Ų67.150%0.50437%0.365SS..EExtended strand (participates in β ladder)trans-114.5135.1174.400000110F845 I853F845-A847 HydrophobicContact CE1-CB 3.88Å; F845-A847 HydrophobicContact CZ-CB 4.1Å; A847-I853 HydrophobicContact CB-CG2 4.03Å
848S87Confident86.6Confident37 Ų3758.6 Ų58.626%0.25933%0.325SS..EExtended strand (participates in β ladder)trans-117.9115.3174.8-178.40000109.8G850 H851 G852S848-G850 PolarHBondContact O-N 3.15Å; S848-H851 PolarHBondContact O-N 2.9Å; S848-H851 VanDerWaalsContact O-N 3.09Å; S848-G852 PolarHBondContact N-O 3.03Å; S848-G852 PolarHBondContact O-N 3.45Å
849P80.6Confident86.9Confident122 Ų12253.7 Ų53.779%0.79231%0.312SS*.THydrogen-bonded Turntrans-52.4132.9178.6-26.734.3000112.2H851P849-H851 PolarHBondContact O-N 2.9Å; P849-H851 PolarHBondContact O-ND1 3.16Å; P849-H851 VanDerWaalsContact O-ND1 3.1Å
850G78.4Confident86.7Confident72 Ų7252.3 Ų52.374%0.74230%0.304SS*.THydrogen-bonded Turntrans73.71.118000000116.1S848 N914S848-G850 PolarHBondContact O-N 3.15Å; G850-N914 PolarHBondContact O-ND2 3.29Å
851H86.7Confident86.5Confident76 Ų7654.9 Ų54.935%0.35231%0.314SS..THydrogen-bonded Turntrans-120.5-64.1-179.3-65.281.9000113.2S848 P849 G913 N914 W917S848-H851 PolarHBondContact O-N 2.9Å; S848-H851 VanDerWaalsContact O-N 3.09Å; P849-H851 PolarHBondContact O-N 2.9Å; P849-H851 PolarHBondContact O-ND1 3.16Å; P849-H851 VanDerWaalsContact O-ND1 3.1Å; H851-G913 VanDerWaalsContact O-CA 3.28Å; H851-G913 WeakPolarHBondContact O-CA 3.16Å; H851-N914 PolarHBondContact O-N 3.17Å; H851-W917 HydrophobicContact CB-CB 4.03Å; H851-W917 HydrophobicContact CB-CD2 3.87Å; H851-W917 HydrophobicContact CB-CE3 3.38Å; H851-W917 HydrophobicContact CB-CG 4.19Å; H851-W917 HydrophobicContact CB-CZ3 4.05Å
852G89.5Confident85.8Confident18 Ų1857 Ų5719%0.18633%0.327CS..EExtended strand (participates in β ladder)trans162.4-167-171.700000114.5S848 V912S848-G852 PolarHBondContact N-O 3.03Å; S848-G852 PolarHBondContact O-N 3.45Å; G852-V912 CarbonylContact C-O 3.58Å; G852-V912 WeakPolarHBondContact CA-O 3.43Å
853I93.2Very high85.1Confident9 Ų957 Ų575%0.04633%0.326CS..EExtended strand (participates in β ladder)trans-120.4156.6176.964.9160.8000112A814 E815 F845 Q846 A847 V912 W917A814-I853 HydrophobicContact CB-CD1 4.3Å; A814-I853 WeakPolarHBondContact O-CD1 3.15Å; E815-I853 HydrophobicContact CG-CD1 3.9Å; E815-I853 WeakPolarHBondContact OE1-CD1 3.28Å; F845-I853 HydrophobicContact CE2-CB 4.14Å; F845-I853 HydrophobicContact CE2-CD1 4.02Å; F845-I853 HydrophobicContact CE2-CG2 3.99Å; F845-I853 HydrophobicContact CZ-CB 4.5Å; F845-I853 HydrophobicContact CZ-CG2 3.91Å; Q846-I853 CarbonylContact O-C 3.55Å; Q846-I853 VanDerWaalsContact O-CA 3.27Å; Q846-I853 WeakPolarHBondContact O-CA 3.27Å; A847-I853 HydrophobicContact CB-CG2 4.03Å; I853-V912 HydrophobicContact CD1-CB 4.36Å; I853-V912 HydrophobicContact CD1-CG2 4.43Å; I853-V912 HydrophobicContact CG1-CB 3.77Å; I853-V912 HydrophobicContact CG1-CG2 4.26Å; I853-V912 PolarHBondContact N-O 3.42Å; I853-V912 PolarHBondContact O-N 3.14Å; I853-W917 PolarHBondContact O-NE1 3.43Å
854R93.3Very high84.3Confident90 Ų9054.4 Ų54.434%0.3432%0.317SS..EExtended strand (participates in β ladder)trans-131.5135.9168.1-176179.5-178.2-170.5-0.6108.4F845 Q846 E909 V910 L911 W917F845-R854 WeakPolarHBondContact CA-O 3.38Å; Q846-R854 HydrophobicContact CB-CB 4.42Å; Q846-R854 PolarHBondContact N-O 3.46Å; Q846-R854 PolarHBondContact O-N 3.48Å; R854-E909 IonicContact CZ-OE1 3.67Å; R854-E909 VanDerWaalsContact CZ-OE1 3.23Å; R854-E909 IonicContact NE-OE1 3.33Å; R854-E909 PolarHBondContact NE-OE1 3.43Å; R854-E909 IonicContact NH2-OE1 3.06Å; R854-E909 PolarHBondContact NH2-OE1 2.99Å; R854-V910 WeakPolarHBondContact CA-O 3.36Å; R854-L911 HydrophobicContact CB-CD2 3.85Å; R854-L911 HydrophobicContact CG-CD2 3.7Å; R854-L911 HydrophobicContact CG-CG 4.27Å; R854-W917 HydrophobicContact CB-CZ2 4.24Å
855A92.5Very high83.3Confident0 Ų051.5 Ų51.50%031%0.313CS..EExtended strand (participates in β ladder)trans-151.6156.5178.200000111.3A814 F845 V910A814-A855 HydrophobicContact CB-CB 4.08Å; F845-A855 HydrophobicContact CD2-CB 4.38Å; A855-V910 PolarHBondContact N-O 3.44Å; A855-V910 PolarHBondContact O-N 2.97Å
856V91.6Very high81.8Confident28 Ų2855 Ų5517%0.1734%0.335CS..EExtended strand (participates in β ladder)trans-107.9119.8167.7179.20000108.2K843 L844 D907 Y908K843-V856 WeakPolarHBondContact CA-O 3.03Å; K843-V856 HydrophobicContact CB-CB 4.3Å; K843-V856 PolarHBondContact N-O 3.02Å; K843-V856 PolarHBondContact O-N 3.13Å; K843-V856 VanDerWaalsContact O-O 3.14Å; L844-V856 HydrophobicContact CB-CG2 4.28Å; L844-V856 HydrophobicContact CD1-CG2 4Å; V856-D907 HydrophobicContact CG1-CB 3.76Å; V856-Y908 CarbonylContact C-O 3.58Å; V856-Y908 WeakPolarHBondContact CA-O 3.47Å
857V89.8Confident80.3Confident0 Ų051 Ų510%032%0.32CS..EExtended strand (participates in β ladder)trans-107.5133-170.5173.40000110.4T813 A814 V860 D907 Y908 V910T813-V857 HydrophobicContact CG2-CG1 3.57Å; T813-V857 HydrophobicContact CG2-CG2 4.32Å; A814-V857 HydrophobicContact CB-CG2 3.79Å; V857-V860 HydrophobicContact CG1-CG2 3.35Å; V857-D907 CarbonylContact O-C 3.47Å; V857-D907 VanDerWaalsContact O-CA 3.31Å; V857-D907 WeakPolarHBondContact O-CA 3.13Å; V857-Y908 PolarHBondContact N-O 3.5Å; V857-Y908 PolarHBondContact O-N 3.5Å; V857-V910 HydrophobicContact CB-CG2 4.26Å; V857-V910 HydrophobicContact CG2-CG2 3.8Å
858S84.7Confident78.8Confident1 Ų158.6 Ų58.61%0.00734%0.336CS..EExtended strand (participates in β ladder)trans-134.4167.1-176.6590000111.5A841 K843 V860 D907A841-S858 WeakPolarHBondContact CB-OG 3.35Å; A841-S858 PolarHBondContact N-O 2.87Å; A841-S858 PolarHBondContact O-N 3.28Å; A841-S858 PolarHBondContact O-OG 3.21Å; K843-S858 WeakPolarHBondContact CE-OG 3.34Å; S858-V860 PolarHBondContact O-N 3.2Å; S858-D907 WeakPolarHBondContact CB-OD1 3.42Å
859E79.7Confident76.9Confident118 Ų11862.3 Ų62.355%0.55136%0.362SS*.  trans65.512.8176.7-57.5178.7-172.300116.6A841 D861 S862A841-E859 HydrophobicContact CB-CB 4.43Å; A841-E859 HydrophobicContact CB-CG 4.23Å; E859-D861 PolarHBondContact O-N 2.91Å; E859-S862 PolarHBondContact O-N 2.94Å; E859-S862 PolarHBondContact O-OG 3.5Å
860V78.3Confident75.4Confident1 Ų160.7 Ų60.71%0.00635%0.347CS..Hα-helixtrans-65.4-37.7-175.9-166.80000113.2A809 V810 V857 S858 S862 M863 L864A809-V860 HydrophobicContact CB-CG1 3.34Å; V810-V860 HydrophobicContact CG2-CG1 4.2Å; V810-V860 HydrophobicContact CG2-CG2 4.2Å; V857-V860 HydrophobicContact CG1-CG2 3.35Å; S858-V860 PolarHBondContact O-N 3.2Å; V860-S862 VanDerWaalsContact C-N 3.29Å; V860-S862 PolarHBondContact O-N 3.36Å; V860-M863 HydrophobicContact CG1-CE 4.49Å; V860-M863 WeakPolarHBondContact O-CB 3.43Å; V860-M863 PolarHBondContact O-N 3.34Å; V860-M863 VanDerWaalsContact O-N 3.16Å; V860-L864 HydrophobicContact CG1-CD1 3.86Å; V860-L864 PolarHBondContact O-N 3.42Å
861D75.7Confident74Confident70 Ų7063 Ų6337%0.37434%0.342SS..Hα-helixtrans-65.9-33-177.9-68.9-42.1000112.2K806 E859 M863 L864 A865 S906K806-D861 WeakPolarHBondContact CE-OD1 3.45Å; K806-D861 IonicContact NZ-OD1 2.7Å; K806-D861 PolarHBondContact NZ-OD1 3.46Å; K806-D861 IonicContact NZ-OD2 3.41Å; K806-D861 PolarHBondContact NZ-OD2 3.25Å; E859-D861 PolarHBondContact O-N 2.91Å; D861-M863 VanDerWaalsContact C-N 3.31Å; D861-M863 PolarHBondContact O-N 3.35Å; D861-L864 PolarHBondContact O-N 3.15Å; D861-A865 PolarHBondContact O-N 2.83Å; D861-S906 PolarHBondContact OD2-OG 2.84Å
862S70.5Confident72.2Confident75 Ų7567.7 Ų67.752%0.52436%0.364SS..Hα-helixtrans-67.6-33175.474.50000112.5E859 V860E859-S862 PolarHBondContact O-N 2.94Å; E859-S862 PolarHBondContact O-OG 3.5Å; V860-S862 VanDerWaalsContact C-N 3.29Å; V860-S862 PolarHBondContact O-N 3.36Å
863M72.2Confident70.1Confident14 Ų1471.6 Ų71.67%0.06938%0.384CS..Hα-helixtrans-73.1-42.5176.7-174.5-157.975.600111.2A809 L834 T836 L839 V860 D861 A865 N866 A867A809-M863 HydrophobicContact CB-CE 3.4Å; L834-M863 HydrophobicContact CD1-CE 3.55Å; T836-M863 HydrophobicContact CG2-CG 4.5Å; L839-M863 VanDerWaalsContact CA-SD 3.59Å; L839-M863 HydrophobicContact CB-SD 4.44Å; L839-M863 HydrophobicContact CD2-SD 3.87Å; V860-M863 HydrophobicContact CG1-CE 4.49Å; V860-M863 WeakPolarHBondContact O-CB 3.43Å; V860-M863 PolarHBondContact O-N 3.34Å; V860-M863 VanDerWaalsContact O-N 3.16Å; D861-M863 VanDerWaalsContact C-N 3.31Å; D861-M863 PolarHBondContact O-N 3.35Å; M863-A865 VanDerWaalsContact C-N 3.29Å; M863-A865 PolarHBondContact O-N 3.16Å; M863-N866 PolarHBondContact O-N 3.04Å; M863-N866 VanDerWaalsContact O-N 3.15Å; M863-A867 PolarHBondContact O-N 3.11Å
864L72.7Confident68Low39 Ų3976.9 Ų76.920%0.20441%0.407CS..Hα-helixtrans-64.3-31.3178.1-81.2151000112.8N805 K806 A809 V860 D861 N866 A867N805-L864 HydrophobicContact CB-CD2 3.83Å; K806-L864 HydrophobicContact CB-CD1 4.11Å; K806-L864 HydrophobicContact CD-CD1 4.49Å; K806-L864 HydrophobicContact CG-CD1 4.1Å; A809-L864 HydrophobicContact CB-CD1 4.17Å; A809-L864 HydrophobicContact CB-CG 4.33Å; V860-L864 HydrophobicContact CG1-CD1 3.86Å; V860-L864 PolarHBondContact O-N 3.42Å; D861-L864 PolarHBondContact O-N 3.15Å; L864-N866 PolarHBondContact O-N 3.14Å; L864-A867 WeakPolarHBondContact O-CB 3.3Å; L864-A867 PolarHBondContact O-N 2.82Å; L864-A867 VanDerWaalsContact O-N 3.08Å
865A65.5Low65.9Low84 Ų8475 Ų7569%0.69440%0.403SS*.THydrogen-bonded Turntrans-62.8-25.4175.100000113.3D861 M863D861-A865 PolarHBondContact O-N 2.83Å; M863-A865 VanDerWaalsContact C-N 3.29Å; M863-A865 PolarHBondContact O-N 3.16Å
866N59.4Low63.8Low135 Ų13579.5 Ų79.572%0.72244%0.435SS*.THydrogen-bonded Turntrans-92.8-8.8176.1-67.2-33.6000113.1M863 L864 R868M863-N866 PolarHBondContact O-N 3.04Å; M863-N866 VanDerWaalsContact O-N 3.15Å; L864-N866 PolarHBondContact O-N 3.14Å; N866-R868 PolarHBondContact O-N 3.35Å
867A58.9Low61.9Low22 Ų2284.8 Ų84.818%0.18246%0.462CS..SBendtrans-75.8125.4179.500000109.7M863 L864 S869M863-A867 PolarHBondContact O-N 3.11Å; L864-A867 WeakPolarHBondContact O-CB 3.3Å; L864-A867 PolarHBondContact O-N 2.82Å; L864-A867 VanDerWaalsContact O-N 3.08Å; A867-S869 PolarHBondContact O-N 2.77Å
868R55.5Low60.3Low219 Ų21987.7 Ų87.783%0.82648%0.476SS*.  trans-64.6118.9177-69.3-177.2-179.5178.10.6109.4N866 D870N866-R868 PolarHBondContact O-N 3.35Å; R868-D870 PolarHBondContact O-N 3.06Å
869S46.6Very low59.2Low116 Ų11690.7 Ų90.781%0.81151%0.507SS*.  trans-737417355.20000110.4A867A867-S869 PolarHBondContact O-N 2.77Å
870D49.2Very low58.7Low88 Ų8885.9 Ų85.947%0.47149%0.486SS..  trans-122.5112.7-179.4-71.7-19.9000112.5R868R868-D870 PolarHBondContact O-N 3.06Å
871D49.4Very low58.7Low121 Ų12190.7 Ų90.765%0.64751%0.509SS*.  trans40.2126.4156.8-64.3-25.9000121.9T873 K874D871-T873 VanDerWaalsContact CB-OG1 3.25Å; D871-T873 WeakPolarHBondContact CB-OG1 3.4Å; D871-T873 PolarHBondContact O-N 3.01Å; D871-K874 PolarHBondContact O-N 3.42Å
872E48.4Very low58.6Low174 Ų17488.9 Ų88.981%0.81350%0.498SS*.G310 helixtrans-51.9-20.5164.9-69.5-172.4145.900113.7K874 L875E872-K874 VanDerWaalsContact C-N 3.25Å; E872-K874 PolarHBondContact O-N 3.06Å; E872-L875 WeakPolarHBondContact O-CB 3.49Å; E872-L875 PolarHBondContact O-N 3.39Å
873T44.8Very low59Low99 Ų9987.7 Ų87.761%0.60749%0.488SS*.G310 helixtrans-66.4-19.9179.352.30000114.1D871 L875 S876D871-T873 VanDerWaalsContact CB-OG1 3.25Å; D871-T873 WeakPolarHBondContact CB-OG1 3.4Å; D871-T873 PolarHBondContact O-N 3.01Å; T873-L875 PolarHBondContact O-N 3.37Å; T873-S876 PolarHBondContact O-OG 2.98Å
874K49.8Very low59Low121 Ų12191.9 Ų91.953%0.52650%0.504SS..G310 helixtrans-73.1-15.6171.7-78.6178.8-178.71660113.3D871 E872 N877D871-K874 PolarHBondContact O-N 3.42Å; E872-K874 VanDerWaalsContact C-N 3.25Å; E872-K874 PolarHBondContact O-N 3.06Å; K874-N877 PolarHBondContact O-N 3.41Å
875L49.7Very low58.8Low50 Ų5090.8 Ų90.826%0.26250%0.499SS..SBendtrans-70.9-36.9-172.6-153.975.2000112.8K833 E872 T873 N877 I882K833-L875 HydrophobicContact CD-CD1 4.33Å; E872-L875 WeakPolarHBondContact O-CB 3.49Å; E872-L875 PolarHBondContact O-N 3.39Å; T873-L875 PolarHBondContact O-N 3.37Å; L875-N877 VanDerWaalsContact C-N 3.29Å; L875-N877 PolarHBondContact O-N 3.45Å; L875-I882 HydrophobicContact CD1-CD1 3.65Å; L875-I882 HydrophobicContact CD2-CB 4.42Å; L875-I882 HydrophobicContact CD2-CD1 3.89Å; L875-I882 HydrophobicContact CD2-CG1 4.19Å; L875-I882 HydrophobicContact CG-CD1 4.08Å; L875-I882 HydrophobicContact CG-CG1 4.48Å
876S47Very low58.3Low94 Ų9494.1 Ų94.166%0.65751%0.505SS*.G310 helixtrans-69.8-26.4177.4570000113.2T873 M878T873-S876 PolarHBondContact O-OG 2.98Å; S876-M878 VanDerWaalsContact C-N 3.34Å
877N51.6Low58Low140 Ų14090.2 Ų90.275%0.74949%0.489SS*.G310 helixtrans-80.9-13.3-176.4-72.6-6.3000113.6K874 L875K874-N877 PolarHBondContact O-N 3.41Å; L875-N877 VanDerWaalsContact C-N 3.29Å; L875-N877 PolarHBondContact O-N 3.45Å
878M56.8Low57.7Low61 Ų6193.9 Ų93.930%0.350%0.502SS..G310 helixtrans-91.5-3.6178.8-66.2-177.971.400113.6F829 S832 K833 S876 V880F829-M878 HydrophobicContact CD2-CE 3.85Å; F829-M878 HydrophobicContact CE2-CE 3.87Å; S832-M878 WeakPolarHBondContact OG-CE 3.46Å; K833-M878 HydrophobicContact CB-CE 4.45Å; K833-M878 HydrophobicContact CD-SD 4.16Å; S876-M878 VanDerWaalsContact C-N 3.34Å; M878-V880 PolarHBondContact O-N 2.93Å
879G61.1Low57.1Low64 Ų6490.8 Ų90.866%0.6650%0.501SS*.THydrogen-bonded Turntrans69.810.8175.600000115.7
880V70Confident56.9Low17 Ų1792.2 Ų92.210%0.10350%0.495CS..  trans-99.6123.8-179.3-173.40000110.3L790 V791 F829 M878 I882L790-V880 HydrophobicContact CD2-CG1 4.12Å; L790-V880 HydrophobicContact CG-CG1 4.1Å; L790-V880 VanDerWaalsContact O-CG2 3.23Å; L790-V880 WeakPolarHBondContact O-CG2 3.14Å; V791-V880 WeakPolarHBondContact O-CA 3.26Å; F829-V880 HydrophobicContact CD2-CG2 3.89Å; F829-V880 HydrophobicContact CE2-CB 3.94Å; F829-V880 HydrophobicContact CE2-CG1 4.17Å; F829-V880 HydrophobicContact CE2-CG2 3.44Å; F829-V880 VanDerWaalsContact CE2-CG2 3.44Å; F829-V880 HydrophobicContact CZ-CB 4.41Å; F829-V880 HydrophobicContact CZ-CG1 4.28Å; F829-V880 HydrophobicContact CZ-CG2 4.34Å; M878-V880 PolarHBondContact O-N 2.93Å; V880-I882 PolarHBondContact O-N 3.45Å
881E77.8Confident56.7Low102 Ų10291.6 Ų91.648%0.47749%0.489SS..EExtended strand (participates in β ladder)trans-79115.2175.8-170.5-171.9170.700109.6V791 K792 L793 V883V791-E881 PolarHBondContact O-N 3.37Å; K792-E881 CarbonylContact C-O 3.53Å; K792-E881 VanDerWaalsContact CA-O 3.29Å; K792-E881 WeakPolarHBondContact CA-O 3.44Å; K792-E881 HydrophobicContact CB-CB 4.34Å; K792-E881 HydrophobicContact CG-CB 4.07Å; K792-E881 HydrophobicContact CG-CG 4.47Å; K792-E881 WeakPolarHBondContact CG-O 3.46Å; K792-E881 IonicContact NZ-OE1 3.67Å; K792-E881 IonicContact NZ-OE2 3.57Å; L793-E881 PolarHBondContact N-O 3.03Å; E881-V883 HydrophobicContact CG-CG2 3.96Å
882I74.6Confident56Low31 Ų3191 Ų9116%0.15949%0.491CS..EExtended strand (participates in β ladder)trans-100.3120.4174.4-55.7-161.4000109.1L793 L795 L804 L875 V880 Y884L793-I882 HydrophobicContact CB-CG1 4.41Å; L793-I882 HydrophobicContact CD2-CD1 4.24Å; L793-I882 WeakPolarHBondContact O-CA 3.46Å; L795-I882 HydrophobicContact CD1-CG2 3.91Å; L804-I882 HydrophobicContact CD2-CD1 3.87Å; L875-I882 HydrophobicContact CD1-CD1 3.65Å; L875-I882 HydrophobicContact CD2-CB 4.42Å; L875-I882 HydrophobicContact CD2-CD1 3.89Å; L875-I882 HydrophobicContact CD2-CG1 4.19Å; L875-I882 HydrophobicContact CG-CD1 4.08Å; L875-I882 HydrophobicContact CG-CG1 4.48Å; V880-I882 PolarHBondContact O-N 3.45Å; I882-Y884 HydrophobicContact CG2-CE2 3.98Å
883V77.9Confident55.4Low51 Ų5190.2 Ų90.231%0.30949%0.493SS..EExtended strand (participates in β ladder)trans-119.8124-179.2-175.80000109.8L793 C794 L795 E881L793-V883 PolarHBondContact O-N 3.36Å; C794-V883 CarbonylContact C-O 3.56Å; C794-V883 VanDerWaalsContact CA-O 3.32Å; C794-V883 WeakPolarHBondContact CA-O 3.32Å; L795-V883 PolarHBondContact N-O 3.08Å; E881-V883 HydrophobicContact CG-CG2 3.96Å
884Y72.5Confident55.2Low101 Ų10188.8 Ų88.840%0.39648%0.484SS..EExtended strand (participates in β ladder)trans-90117.9171-63.1-93.1000108.4L795 I882L795-Y884 HydrophobicContact CB-CD1 4.23Å; L795-Y884 HydrophobicContact CD1-CD1 3.84Å; L795-Y884 HydrophobicContact CD1-CE1 3.4Å; I882-Y884 HydrophobicContact CG2-CE2 3.98Å
885S67.9Low54.5Low16 Ų1691.9 Ų91.911%0.11250%0.497CS..  trans-76.5135.6178.8-176.80000111.1L795 S887 Q888L795-S885 PolarHBondContact O-N 3.13Å; S885-S887 PolarHBondContact O-N 2.8Å; S885-S887 PolarHBondContact OG-N 3.22Å; S885-S887 PolarHBondContact OG-OG 3.02Å; S885-Q888 WeakPolarHBondContact O-CG 3.37Å
886N56.2Low54.2Low154 Ų15493.4 Ų93.482%0.82451%0.505SS*.SBendtrans-74.7-3.8173.3-76.8-14.3000113.2Q888N886-Q888 PolarHBondContact O-N 3.36Å
887S53.4Low53.6Low54 Ų5494.8 Ų94.838%0.37851%0.51SS..  trans-70.122.3177.7-590000114.1S885 L889 D928S885-S887 PolarHBondContact O-N 2.8Å; S885-S887 PolarHBondContact OG-N 3.22Å; S885-S887 PolarHBondContact OG-OG 3.02Å; S887-L889 PolarHBondContact O-N 2.72Å; S887-D928 PolarHBondContact OG-OD2 3.45Å
888Q51.7Low52.8Low99 Ų9997.8 Ų97.846%0.46352%0.517SS..G310 helixtrans-63-4.7-179.4-62.4-173.22.900114.3S885 N886S885-Q888 WeakPolarHBondContact O-CG 3.37Å; N886-Q888 PolarHBondContact O-N 3.36Å
889L42.8Very low51.8Low153 Ų153102.3 Ų102.380%0.80153%0.53SS*.G310 helixtrans-89.8-0.3-166.4-112.588.5000116.8S887S887-L889 PolarHBondContact O-N 2.72Å
890H42.4Very low50.4Low146 Ų146104.5 Ų104.568%0.67653%0.531SS*.G310 helixtrans-121.914.4-171.7-79.8-32.7000117.3P892 Y926H890-P892 WeakPolarHBondContact O-CD 3.46Å; H890-Y926 PolarHBondContact O-OH 3.26Å
891Q44.6Very low48.7Very low76 Ų76113.9 Ų113.936%0.35557%0.574SS.*  trans-89.6114.5167.1-69.4-171.53.200110.6N893Q891-N893 PolarHBondContact O-N 2.81Å
892P35.7Very low46.6Very low107 Ų107112.8 Ų112.870%0.69558%0.578SS**  trans-70.6114171.728.9-29.1000108H890 V894H890-P892 WeakPolarHBondContact O-CD 3.46Å; P892-V894 VanDerWaalsContact C-N 3.35Å; P892-V894 PolarHBondContact O-N 3.21Å
893N35.9Very low44.6Very low159 Ų159115.6 Ų115.685%0.8561%0.614SS**  trans20.969165.8-73.2-35000114.3Q891 K895Q891-N893 PolarHBondContact O-N 2.81Å; N893-K895 PolarHBondContact O-N 3.03Å
894V40.6Very low42.6Very low69 Ų69120.6 Ų120.642%0.41864%0.639SS.*  trans-6988164-1780000104.7P892 L896P892-V894 VanDerWaalsContact C-N 3.35Å; P892-V894 PolarHBondContact O-N 3.21Å; V894-L896 PolarHBondContact O-N 3.47Å
895K34.2Very low41.6Very low185 Ų185119 Ų11980%0.80465%0.646SS**  trans-58.596.2154.6-76.8-179.8178.2176.50103.4N893 T897N893-K895 PolarHBondContact O-N 3.03Å; K895-T897 PolarHBondContact O-N 3.47Å
896L44.1Very low41.4Very low82 Ų82120.1 Ų120.143%0.42966%0.655SS.*  trans-46.8107.5149.4-114.592.6000102.8V801 V894 K898V801-L896 HydrophobicContact CG1-CD1 4.44Å; V894-L896 PolarHBondContact O-N 3.47Å; L896-K898 PolarHBondContact O-N 3.04Å
897T35Very low42.7Very low124 Ų124114.7 Ų114.776%0.76163%0.625SS**  trans-50115.5-174.9-24.60000104.3K895 R899K895-T897 PolarHBondContact O-N 3.47Å; T897-R899 PolarHBondContact O-N 3.45Å
898K33.3Very low44.2Very low203 Ų203113 Ų11388%0.88361%0.611SS**  trans-53.795.7168.3-86.9-174.7173.3-174.30104.2L896 T900L896-K898 PolarHBondContact O-N 3.04Å; K898-T900 PolarHBondContact O-N 3.36Å
899R35.6Very low46.1Very low155 Ų155111.7 Ų111.759%0.58561%0.605SS**  trans-59.2125.7171.6-88.6-173177.1158.19.1104.3T897 D907T897-R899 PolarHBondContact O-N 3.45Å; R899-D907 PolarHBondContact NH1-O 3.46Å; R899-D907 PolarHBondContact NH2-O 3.32Å
900T32.3Very low48.4Very low111 Ų111104.4 Ų104.468%0.68157%0.567SS**  trans-36.5146.3-17824.50000112.8K898 S902K898-T900 PolarHBondContact O-N 3.36Å; T900-S902 PolarHBondContact O-N 3.08Å
901E34.9Very low50.8Low214 Ų21498 Ų98100%154%0.537SS*.SBendtrans-61.844.3177.3-63174.3153.500113.6
902S33.2Very low53.1Low79 Ų7994.5 Ų94.555%0.55252%0.521SS*.SBendtrans-137.482-176.353.90000109.6T900 D904T900-S902 PolarHBondContact O-N 3.08Å; S902-D904 VanDerWaalsContact C-N 3.27Å; S902-D904 PolarHBondContact O-N 2.9Å
903G33.4Very low55.8Low90 Ų9089.5 Ų89.593%0.92849%0.489SS*.  trans58-14.2135.300000123.1
904D35.8Very low58.4Low156 Ų15684.3 Ų84.383%0.83446%0.461SS*.  trans-111.2135.5-172.1-88.7-24.7000113.3S902S902-D904 VanDerWaalsContact C-N 3.27Å; S902-D904 PolarHBondContact O-N 2.9Å
905A50.5Low60.7Low66 Ų6683.6 Ų83.655%0.54545%0.451SS..  trans-45139.7-169.300000115.7D907A905-D907 PolarHBondContact O-N 3.03Å
906S64.8Low63.3Low41 Ų4181.6 Ų81.629%0.28744%0.443SS..  trans-69.986.9-178.353.70000112.8D861 Y908D861-S906 PolarHBondContact OD2-OG 2.84Å; S906-Y908 WeakPolarHBondContact O-CD2 3.43Å
907D81.7Confident65.5Low39 Ų3978.3 Ų78.321%0.20942%0.424CS..PPolyproline II helixtrans-71119.4169.8-73.12.5000111.5K843 V856 V857 S858 R899 A905K843-D907 IonicContact NZ-OD1 3.1Å; K843-D907 PolarHBondContact NZ-OD1 3.3Å; K843-D907 VanDerWaalsContact NZ-OD1 3.1Å; K843-D907 IonicContact NZ-OD2 3.03Å; K843-D907 PolarHBondContact NZ-OD2 3.24Å; V856-D907 HydrophobicContact CG1-CB 3.76Å; V857-D907 CarbonylContact O-C 3.47Å; V857-D907 VanDerWaalsContact O-CA 3.31Å; V857-D907 WeakPolarHBondContact O-CA 3.13Å; S858-D907 WeakPolarHBondContact CB-OD1 3.42Å; R899-D907 PolarHBondContact NH1-O 3.46Å; R899-D907 PolarHBondContact NH2-O 3.32Å; A905-D907 PolarHBondContact O-N 3.03Å
908Y86.2Confident68.2Low20 Ų2072.4 Ų72.48%0.07839%0.388CS..EExtended strand (participates in β ladder)trans-97.5134.4176.2-68.1-80.8000111.3K806 V810 V856 V857 S906 I948K806-Y908 WeakPolarHBondContact CE-OH 3.47Å; K806-Y908 PolarHBondContact NZ-OH 3.42Å; V810-Y908 HydrophobicContact CG1-CG 4.47Å; V810-Y908 HydrophobicContact CG2-CD2 3.96Å; V810-Y908 HydrophobicContact CG2-CE2 4.35Å; V810-Y908 HydrophobicContact CG2-CG 4.21Å; V856-Y908 CarbonylContact C-O 3.58Å; V856-Y908 WeakPolarHBondContact CA-O 3.47Å; V857-Y908 PolarHBondContact N-O 3.5Å; V857-Y908 PolarHBondContact O-N 3.5Å; S906-Y908 WeakPolarHBondContact O-CD2 3.43Å; Y908-I948 HydrophobicContact CD1-CG2 4.16Å
909E90.4Very high70.7Confident70 Ų7068.6 Ų68.633%0.32737%0.374SS..EExtended strand (participates in β ladder)trans-88.6122.3171.4-174.1171.3-164.700110.4R854 I948 D949R854-E909 IonicContact CZ-OE1 3.67Å; R854-E909 VanDerWaalsContact CZ-OE1 3.23Å; R854-E909 IonicContact NE-OE1 3.33Å; R854-E909 PolarHBondContact NE-OE1 3.43Å; R854-E909 IonicContact NH2-OE1 3.06Å; R854-E909 PolarHBondContact NH2-OE1 2.99Å; E909-I948 WeakPolarHBondContact O-CA 3.17Å; E909-D949 PolarHBondContact N-OD1 3.41Å; E909-D949 PolarHBondContact O-N 2.98Å
910V92.1Very high73.1Confident1 Ų164.9 Ų64.91%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-122128.8-174.3-169.40000110.3V810 A814 R854 A855 V857 V912 V947V810-V910 HydrophobicContact CG1-CG2 3.33Å; A814-V910 HydrophobicContact CB-CB 3.98Å; A814-V910 HydrophobicContact CB-CG1 3.8Å; A814-V910 HydrophobicContact CB-CG2 4.37Å; R854-V910 WeakPolarHBondContact CA-O 3.36Å; A855-V910 PolarHBondContact N-O 3.44Å; A855-V910 PolarHBondContact O-N 2.97Å; V857-V910 HydrophobicContact CB-CG2 4.26Å; V857-V910 HydrophobicContact CG2-CG2 3.8Å; V910-V912 HydrophobicContact CG1-CG2 3.9Å; V910-V947 WeakPolarHBondContact CA-O 3.34Å
911L93Very high75.7Confident11 Ų1162.4 Ų62.46%0.05835%0.352CS..EExtended strand (participates in β ladder)trans-118.8128.9168.5-65.5142.2000108.7R854 H921 V923 A946 V947R854-L911 HydrophobicContact CB-CD2 3.85Å; R854-L911 HydrophobicContact CG-CD2 3.7Å; R854-L911 HydrophobicContact CG-CG 4.27Å; L911-H921 HydrophobicContact CD1-CB 4.16Å; L911-H921 HydrophobicContact CD2-CB 4.11Å; L911-V923 HydrophobicContact CD1-CG2 4.33Å; L911-A946 CarbonylContact O-C 3.58Å; L911-A946 WeakPolarHBondContact O-CA 3.44Å; L911-V947 HydrophobicContact CB-CB 4.12Å; L911-V947 PolarHBondContact N-O 3.2Å; L911-V947 PolarHBondContact O-N 3.41Å
912V93.3Very high78Confident2 Ų255.6 Ų55.61%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-127.5125.2176-174.60000108.4V811 E815 G852 I853 V910 V944 L945 A946V811-V912 HydrophobicContact CG1-CG2 4.22Å; E815-V912 VanDerWaalsContact OE1-CG1 3.24Å; E815-V912 WeakPolarHBondContact OE1-CG1 3.18Å; G852-V912 CarbonylContact C-O 3.58Å; G852-V912 WeakPolarHBondContact CA-O 3.43Å; I853-V912 HydrophobicContact CD1-CB 4.36Å; I853-V912 HydrophobicContact CD1-CG2 4.43Å; I853-V912 HydrophobicContact CG1-CB 3.77Å; I853-V912 HydrophobicContact CG1-CG2 4.26Å; I853-V912 PolarHBondContact N-O 3.42Å; I853-V912 PolarHBondContact O-N 3.14Å; V910-V912 HydrophobicContact CG1-CG2 3.9Å; V912-V944 HydrophobicContact CG1-CG1 3.46Å; V912-V944 VanDerWaalsContact CG1-CG1 3.46Å; V912-L945 CarbonylContact C-O 3.41Å; V912-L945 WeakPolarHBondContact CA-O 3.21Å; V912-A946 HydrophobicContact CG2-CB 4.23Å
913G91.7Very high80.5Confident3 Ų352.5 Ų52.53%0.03132%0.317CS..EExtended strand (participates in β ladder)trans174.2-168.2-179.700000115.8H851 L945H851-G913 VanDerWaalsContact O-CA 3.28Å; H851-G913 WeakPolarHBondContact O-CA 3.16Å; G913-L945 PolarHBondContact N-O 3.41Å; G913-L945 PolarHBondContact O-N 2.89Å
914N91.1Very high82.8Confident49 Ų4954.5 Ų54.526%0.26231%0.307SS..  trans-80.7174.317768.617.9000112.5G850 H851 K916 W917 L918G850-N914 PolarHBondContact O-ND2 3.29Å; H851-N914 PolarHBondContact O-N 3.17Å; N914-K916 VanDerWaalsContact C-N 3.3Å; N914-K916 PolarHBondContact O-N 3.22Å; N914-K916 PolarHBondContact OD1-N 2.84Å; N914-W917 VanDerWaalsContact O-CB 3.31Å; N914-W917 WeakPolarHBondContact O-CB 3.45Å; N914-W917 PolarHBondContact O-N 3.11Å; N914-W917 WeakPolarHBondContact OD1-CB 3.48Å; N914-W917 PolarHBondContact OD1-N 3.25Å; N914-L918 WeakPolarHBondContact O-CD1 3.47Å; N914-L918 PolarHBondContact O-N 3.25Å
915R89Confident85Confident55 Ų5548.1 Ų48.121%0.20827%0.273CS..Hα-helixtrans-51.3-46.7179.7-61.3175.5-171.887.1-7.9112.9W917 L918 E919 D930 M933 S934 E937R915-W917 VanDerWaalsContact C-N 3.3Å; R915-W917 PolarHBondContact O-N 2.98Å; R915-L918 PolarHBondContact O-N 2.78Å; R915-E919 WeakPolarHBondContact O-CG 3.5Å; R915-E919 PolarHBondContact O-N 3.26Å; R915-D930 WeakPolarHBondContact CD-OD1 3.43Å; R915-D930 IonicContact CZ-OD1 2.65Å; R915-D930 IonicContact NE-OD1 3.78Å; R915-D930 PolarHBondContact NE-OD1 3.3Å; R915-D930 IonicContact NH2-OD1 2.64Å; R915-M933 HydrophobicContact CG-CE 3.9Å; R915-M933 HydrophobicContact CG-SD 3.62Å; R915-M933 PolarHBondContact NE-SD 3.42Å; R915-S934 PolarHBondContact NH2-OG 2.97Å; R915-E937 IonicContact CZ-OE1 2.72Å; R915-E937 IonicContact CZ-OE2 2.9Å; R915-E937 VanDerWaalsContact NH1-CD 3.32Å; R915-E937 IonicContact NH1-OE1 3.59Å; R915-E937 PolarHBondContact NH1-OE1 3.38Å; R915-E937 IonicContact NH1-OE2 2.63Å; R915-E937 PolarHBondContact NH1-OE2 3.07Å; R915-E937 VanDerWaalsContact NH1-OE2 3.14Å; R915-E937 VanDerWaalsContact NH2-CD 3.28Å; R915-E937 IonicContact NH2-OE1 3.19Å; R915-E937 PolarHBondContact NH2-OE1 2.89Å; R915-E937 IonicContact NH2-OE2 3.08Å; R915-E937 PolarHBondContact NH2-OE2 2.88Å
916K87.7Confident86.5Confident142 Ų14249.4 Ų49.462%0.61727%0.265SS*.Hα-helixtrans-62.9-35.7179.5-65.1-176178.4-178.70112.4N914 E919 S920N914-K916 VanDerWaalsContact C-N 3.3Å; N914-K916 PolarHBondContact O-N 3.22Å; N914-K916 PolarHBondContact OD1-N 2.84Å; K916-E919 PolarHBondContact O-N 2.96Å; K916-S920 WeakPolarHBondContact O-CB 3.47Å; K916-S920 PolarHBondContact O-N 3.48Å; K916-S920 PolarHBondContact O-OG 3.01Å
917W91.2Very high87.4Confident13 Ų1352.4 Ų52.45%0.04928%0.283CS..Hα-helixtrans-63.4-45.2176.5-172.6-122.2000111.4H851 I853 R854 N914 R915 S920 H921H851-W917 HydrophobicContact CB-CB 4.03Å; H851-W917 HydrophobicContact CB-CD2 3.87Å; H851-W917 HydrophobicContact CB-CE3 3.38Å; H851-W917 HydrophobicContact CB-CG 4.19Å; H851-W917 HydrophobicContact CB-CZ3 4.05Å; I853-W917 PolarHBondContact O-NE1 3.43Å; R854-W917 HydrophobicContact CB-CZ2 4.24Å; N914-W917 VanDerWaalsContact O-CB 3.31Å; N914-W917 WeakPolarHBondContact O-CB 3.45Å; N914-W917 PolarHBondContact O-N 3.11Å; N914-W917 WeakPolarHBondContact OD1-CB 3.48Å; N914-W917 PolarHBondContact OD1-N 3.25Å; R915-W917 VanDerWaalsContact C-N 3.3Å; R915-W917 PolarHBondContact O-N 2.98Å; W917-S920 PolarHBondContact O-N 3.03Å; W917-S920 PolarHBondContact O-OG 3.28Å; W917-H921 AromaticContact CD2-CE1 3.75Å; W917-H921 AromaticContact CD2-ND1 3.88Å; W917-H921 AromaticContact CE2-CE1 3.6Å; W917-H921 AromaticContact CE2-ND1 3.96Å; W917-H921 AromaticContact CE3-CE1 3.65Å; W917-H921 AromaticContact CH2-CE1 3.39Å; W917-H921 WeakPolarHBondContact CH2-CE1 3.37Å; W917-H921 AromaticContact CZ2-CE1 3.43Å; W917-H921 VanDerWaalsContact CZ2-CE1 3.43Å; W917-H921 WeakPolarHBondContact CZ2-CE1 3.37Å; W917-H921 AromaticContact CZ3-CE1 3.49Å; W917-H921 VanDerWaalsContact CZ3-CE1 3.49Å; W917-H921 WeakPolarHBondContact CZ3-CE1 3.45Å; W917-H921 PolarHBondContact O-N 3.25Å; W917-H921 PolarHBondContact O-ND1 3.44Å
918L90.2Very high87.6Confident1 Ų154.6 Ų54.61%0.00530%0.295CS..Hα-helixtrans-64.4-46.4176.8-85.870.2000111.3N914 R915 S920 H921 G922 V923 V925 L945 V947 V952N914-L918 WeakPolarHBondContact O-CD1 3.47Å; N914-L918 PolarHBondContact O-N 3.25Å; R915-L918 PolarHBondContact O-N 2.78Å; L918-S920 VanDerWaalsContact C-N 3.32Å; L918-S920 PolarHBondContact O-N 3.4Å; L918-H921 CarbonylContact O-C 3.51Å; L918-H921 PolarHBondContact O-N 2.96Å; L918-H921 VanDerWaalsContact O-N 3.09Å; L918-G922 PolarHBondContact O-N 3.41Å; L918-V923 CarbonylContact C-O 3.53Å; L918-V923 HydrophobicContact CB-CB 4.14Å; L918-V923 HydrophobicContact CD2-CG1 4.24Å; L918-V923 HydrophobicContact CG-CB 4.38Å; L918-V923 HydrophobicContact CG-CG1 4.46Å; L918-V923 PolarHBondContact O-N 3.19Å; L918-V925 HydrophobicContact CB-CG2 4.15Å; L918-V925 HydrophobicContact CD2-CG2 3.77Å; L918-L945 HydrophobicContact CD1-CB 4.1Å; L918-L945 HydrophobicContact CD2-CB 3.79Å; L918-L945 HydrophobicContact CD2-CD1 3.78Å; L918-L945 HydrophobicContact CD2-CG 4.42Å; L918-V947 HydrophobicContact CD1-CG2 4.31Å; L918-V947 HydrophobicContact CD2-CG2 3.57Å; L918-V947 HydrophobicContact CG-CG2 3.73Å; L918-V952 HydrophobicContact CD2-CG2 4.17Å
919E87.6Confident87.6Confident123 Ų12354 Ų5458%0.57529%0.294SS*.Hα-helixtrans-58.4-42.6176.5-72.7169.2-171.800112R915 K916 H921 G922R915-E919 WeakPolarHBondContact O-CG 3.5Å; R915-E919 PolarHBondContact O-N 3.26Å; K916-E919 PolarHBondContact O-N 2.96Å; E919-H921 PolarHBondContact O-N 2.91Å; E919-G922 PolarHBondContact O-N 3.16Å
920S85.9Confident87.4Confident76 Ų7653.6 Ų53.653%0.53129%0.293SS..Hα-helixtrans-65.5-20.4178.570.30000114.1K916 W917 L918K916-S920 WeakPolarHBondContact O-CB 3.47Å; K916-S920 PolarHBondContact O-N 3.48Å; K916-S920 PolarHBondContact O-OG 3.01Å; W917-S920 PolarHBondContact O-N 3.03Å; W917-S920 PolarHBondContact O-OG 3.28Å; L918-S920 VanDerWaalsContact C-N 3.32Å; L918-S920 PolarHBondContact O-N 3.4Å
921H86.2Confident87.2Confident59 Ų5956.4 Ų56.427%0.27332%0.317SS..THydrogen-bonded Turntrans-102.511.6176.1-70.280.7000112.8L911 W917 L918 E919 V923L911-H921 HydrophobicContact CD1-CB 4.16Å; L911-H921 HydrophobicContact CD2-CB 4.11Å; W917-H921 AromaticContact CD2-CE1 3.75Å; W917-H921 AromaticContact CD2-ND1 3.88Å; W917-H921 AromaticContact CE2-CE1 3.6Å; W917-H921 AromaticContact CE2-ND1 3.96Å; W917-H921 AromaticContact CE3-CE1 3.65Å; W917-H921 AromaticContact CH2-CE1 3.39Å; W917-H921 WeakPolarHBondContact CH2-CE1 3.37Å; W917-H921 AromaticContact CZ2-CE1 3.43Å; W917-H921 VanDerWaalsContact CZ2-CE1 3.43Å; W917-H921 WeakPolarHBondContact CZ2-CE1 3.37Å; W917-H921 AromaticContact CZ3-CE1 3.49Å; W917-H921 VanDerWaalsContact CZ3-CE1 3.49Å; W917-H921 WeakPolarHBondContact CZ3-CE1 3.45Å; W917-H921 PolarHBondContact O-N 3.25Å; W917-H921 PolarHBondContact O-ND1 3.44Å; L918-H921 CarbonylContact O-C 3.51Å; L918-H921 PolarHBondContact O-N 2.96Å; L918-H921 VanDerWaalsContact O-N 3.09Å; E919-H921 PolarHBondContact O-N 2.91Å; H921-V923 VanDerWaalsContact C-N 3.32Å; H921-V923 PolarHBondContact O-N 3.28Å
922G83.2Confident87Confident72 Ų7258.1 Ų58.174%0.74233%0.325SS*.THydrogen-bonded Turntrans74.417.2176.800000114.8L918 E919L918-G922 PolarHBondContact O-N 3.41Å; E919-G922 PolarHBondContact O-N 3.16Å
923V85Confident86.8Confident14 Ų1458 Ų589%0.08533%0.325CS..PPolyproline II helixtrans-92.7116.7176.2-176.10000109.1L911 L918 H921 V947 V952L911-V923 HydrophobicContact CD1-CG2 4.33Å; L918-V923 CarbonylContact C-O 3.53Å; L918-V923 HydrophobicContact CB-CB 4.14Å; L918-V923 HydrophobicContact CD2-CG1 4.24Å; L918-V923 HydrophobicContact CG-CB 4.38Å; L918-V923 HydrophobicContact CG-CG1 4.46Å; L918-V923 PolarHBondContact O-N 3.19Å; H921-V923 VanDerWaalsContact C-N 3.32Å; H921-V923 PolarHBondContact O-N 3.28Å; V923-V947 HydrophobicContact CG1-CG1 4.13Å; V923-V947 HydrophobicContact CG1-CG2 4.02Å; V923-V947 HydrophobicContact CG2-CG1 4.06Å; V923-V952 HydrophobicContact CG1-CG2 3.83Å
924N81.3Confident86.7Confident132 Ų13259.4 Ų59.471%0.70633%0.334SS*.PPolyproline II helixtrans-82.6123.8179.8-162.711.2000111
925V82.1Confident86.5Confident22 Ų2259.6 Ų59.613%0.13334%0.343CS..PPolyproline II helixtrans-86.3118177.2-177.60000109L918 V929 D930 L945L918-V925 HydrophobicContact CB-CG2 4.15Å; L918-V925 HydrophobicContact CD2-CG2 3.77Å; V925-V929 HydrophobicContact CG1-CB 4.13Å; V925-V929 HydrophobicContact CG1-CG1 4Å; V925-D930 HydrophobicContact CG1-CB 4.3Å; V925-L945 HydrophobicContact CG1-CD1 4.13Å; V925-L945 HydrophobicContact CG2-CD1 4.07Å
926Y83.7Confident86.4Confident92 Ų9257.4 Ų57.436%0.36134%0.335SS..PPolyproline II helixtrans-66.2146.6-180-65-82.9000112H890 D928 V929 D930H890-Y926 PolarHBondContact O-OH 3.26Å; Y926-D928 VanDerWaalsContact C-N 3.25Å; Y926-D928 PolarHBondContact O-N 3.2Å; Y926-D928 VanDerWaalsContact O-N 3.17Å; Y926-V929 WeakPolarHBondContact O-CB 3.3Å; Y926-V929 PolarHBondContact O-N 3.25Å; Y926-D930 PolarHBondContact O-N 3.47Å
927P83.6Confident86.4Confident104 Ų10452.6 Ų52.668%0.67531%0.314SS*.Hα-helixtrans-54.2-36-179.9-27.934.8000114.6D930 A931P927-D930 PolarHBondContact O-N 2.97Å; P927-A931 WeakPolarHBondContact O-CB 3.35Å; P927-A931 PolarHBondContact O-N 3.06Å
928D84.1Confident86.1Confident86 Ų8658.1 Ų58.146%0.4634%0.341SS..Hα-helixtrans-63.7-43.1176.5-67.4-1.3000111.9S887 Y926 D930 A931 I932S887-D928 PolarHBondContact OG-OD2 3.45Å; Y926-D928 VanDerWaalsContact C-N 3.25Å; Y926-D928 PolarHBondContact O-N 3.2Å; Y926-D928 VanDerWaalsContact O-N 3.17Å; D928-D930 VanDerWaalsContact C-N 3.34Å; D928-A931 PolarHBondContact O-N 3.04Å; D928-I932 WeakPolarHBondContact O-CG1 3.05Å; D928-I932 PolarHBondContact O-N 2.72Å; D928-I932 VanDerWaalsContact O-N 3.12Å
929V86.3Confident85.7Confident8 Ų862.4 Ų62.45%0.04836%0.362CS..Hα-helixtrans-66.4-41.2177.9177.60000109.8F796 V925 Y926 I932 M933 L945 V952F796-V929 HydrophobicContact CD1-CG2 3.99Å; F796-V929 HydrophobicContact CD2-CG2 4.42Å; F796-V929 HydrophobicContact CE1-CB 4.48Å; F796-V929 HydrophobicContact CE1-CG1 4.43Å; F796-V929 HydrophobicContact CE1-CG2 3.84Å; F796-V929 HydrophobicContact CE2-CG1 3.77Å; F796-V929 HydrophobicContact CE2-CG2 4.25Å; F796-V929 HydrophobicContact CG-CG2 4.29Å; F796-V929 HydrophobicContact CZ-CB 4.25Å; F796-V929 HydrophobicContact CZ-CG1 3.73Å; F796-V929 HydrophobicContact CZ-CG2 3.97Å; V925-V929 HydrophobicContact CG1-CB 4.13Å; V925-V929 HydrophobicContact CG1-CG1 4Å; Y926-V929 WeakPolarHBondContact O-CB 3.3Å; Y926-V929 PolarHBondContact O-N 3.25Å; V929-I932 PolarHBondContact O-N 3.02Å; V929-M933 WeakPolarHBondContact O-CB 3.31Å; V929-M933 PolarHBondContact O-N 3.31Å; V929-L945 HydrophobicContact CG1-CD1 4.45Å; V929-L945 HydrophobicContact CG1-CD2 3.64Å; V929-V952 HydrophobicContact CG1-CG1 4.43Å
930D87.2Confident85.4Confident60 Ų6057 Ų5732%0.32134%0.339SS..Hα-helixtrans-66.5-37177.6-172.247.5000112.8R915 V925 Y926 P927 D928 M933 S934R915-D930 WeakPolarHBondContact CD-OD1 3.43Å; R915-D930 IonicContact CZ-OD1 2.65Å; R915-D930 IonicContact NE-OD1 3.78Å; R915-D930 PolarHBondContact NE-OD1 3.3Å; R915-D930 IonicContact NH2-OD1 2.64Å; V925-D930 HydrophobicContact CG1-CB 4.3Å; Y926-D930 PolarHBondContact O-N 3.47Å; P927-D930 PolarHBondContact O-N 2.97Å; D928-D930 VanDerWaalsContact C-N 3.34Å; D930-M933 PolarHBondContact O-N 2.9Å; D930-S934 WeakPolarHBondContact O-CB 3.45Å; D930-S934 PolarHBondContact O-N 2.94Å; D930-S934 PolarHBondContact O-OG 3.14Å
931A88.3Confident85.5Confident60 Ų6055.6 Ų55.650%0.49632%0.322SS..Hα-helixtrans-63.7-44.5174.500000111.6P927 D928 S934 A935P927-A931 WeakPolarHBondContact O-CB 3.35Å; P927-A931 PolarHBondContact O-N 3.06Å; D928-A931 PolarHBondContact O-N 3.04Å; A931-S934 PolarHBondContact O-N 3.4Å; A931-A935 WeakPolarHBondContact O-CB 3.49Å; A931-A935 PolarHBondContact O-N 3.36Å
932I87.5Confident85.6Confident47 Ų4756.9 Ų56.924%0.24133%0.33CS..Hα-helixtrans-63.6-47.7175.3-64.9164.6000110.2F796 D928 V929 S934 A935 E936 L955F796-I932 HydrophobicContact CE1-CD1 3.95Å; F796-I932 HydrophobicContact CZ-CD1 4.49Å; D928-I932 WeakPolarHBondContact O-CG1 3.05Å; D928-I932 PolarHBondContact O-N 2.72Å; D928-I932 VanDerWaalsContact O-N 3.12Å; V929-I932 PolarHBondContact O-N 3.02Å; I932-S934 VanDerWaalsContact C-N 3.3Å; I932-S934 PolarHBondContact O-N 2.85Å; I932-A935 PolarHBondContact O-N 3.02Å; I932-E936 WeakPolarHBondContact O-CG 3.33Å; I932-E936 PolarHBondContact O-N 3.26Å; I932-E936 VanDerWaalsContact O-N 3.07Å; I932-L955 HydrophobicContact CG2-CD2 3.84Å
933M89.6Confident86Confident1 Ų153.9 Ų53.91%0.00530%0.297CS..Hα-helixtrans-57.9-44.1178.2-173.4176.1179.800111.5R915 V929 D930 E936 E937 S943 L945 L955R915-M933 HydrophobicContact CG-CE 3.9Å; R915-M933 HydrophobicContact CG-SD 3.62Å; R915-M933 PolarHBondContact NE-SD 3.42Å; V929-M933 WeakPolarHBondContact O-CB 3.31Å; V929-M933 PolarHBondContact O-N 3.31Å; D930-M933 PolarHBondContact O-N 2.9Å; M933-E936 PolarHBondContact O-N 3.28Å; M933-E937 WeakPolarHBondContact CE-OE1 3.36Å; M933-E937 VanDerWaalsContact O-CG 3.31Å; M933-E937 WeakPolarHBondContact O-CG 3.34Å; M933-E937 PolarHBondContact O-N 2.82Å; M933-S943 WeakPolarHBondContact CE-O 3.46Å; M933-L945 HydrophobicContact SD-CD1 3.76Å; M933-L945 HydrophobicContact SD-CG 4.12Å; M933-L955 HydrophobicContact CB-CD1 4.46Å; M933-L955 HydrophobicContact CB-CD2 4.38Å; M933-L955 HydrophobicContact CG-CD1 4.16Å
934S88.9Confident86.3Confident31 Ų3153.8 Ų53.822%0.21730%0.297CS..Hα-helixtrans-65.6-42.1177.9-63.20000112R915 D930 A931 I932 E936 E937 H938R915-S934 PolarHBondContact NH2-OG 2.97Å; D930-S934 WeakPolarHBondContact O-CB 3.45Å; D930-S934 PolarHBondContact O-N 2.94Å; D930-S934 PolarHBondContact O-OG 3.14Å; A931-S934 PolarHBondContact O-N 3.4Å; I932-S934 VanDerWaalsContact C-N 3.3Å; I932-S934 PolarHBondContact O-N 2.85Å; S934-E936 VanDerWaalsContact C-N 3.34Å; S934-E936 PolarHBondContact O-N 3.03Å; S934-E937 PolarHBondContact O-N 3.38Å; S934-H938 PolarHBondContact O-N 2.83Å; S934-H938 PolarHBondContact O-ND1 2.99Å
935A88.2Confident86.9Confident54 Ų5447.5 Ų47.545%0.44626%0.263SS..Hα-helixtrans-60.4-44.2176.800000111.8A931 I932 E937 H938 M939A931-A935 WeakPolarHBondContact O-CB 3.49Å; A931-A935 PolarHBondContact O-N 3.36Å; I932-A935 PolarHBondContact O-N 3.02Å; A935-E937 PolarHBondContact O-N 3.4Å; A935-H938 PolarHBondContact O-N 3.24Å; A935-M939 PolarHBondContact O-N 2.88Å
936E87.2Confident87.4Confident8 Ų846.5 Ų46.54%0.03726%0.257CS..Hα-helixtrans-64.6-38.9176.6-65.8-65.2145.100112K792 I932 M933 S934 H938 M939 R941 S943 L955K792-E936 VanDerWaalsContact CD-OE1 3.26Å; K792-E936 WeakPolarHBondContact CD-OE1 3.36Å; K792-E936 WeakPolarHBondContact CE-OE1 3.45Å; K792-E936 IonicContact NZ-OE1 2.64Å; K792-E936 PolarHBondContact NZ-OE1 3.12Å; I932-E936 WeakPolarHBondContact O-CG 3.33Å; I932-E936 PolarHBondContact O-N 3.26Å; I932-E936 VanDerWaalsContact O-N 3.07Å; M933-E936 PolarHBondContact O-N 3.28Å; S934-E936 VanDerWaalsContact C-N 3.34Å; S934-E936 PolarHBondContact O-N 3.03Å; E936-H938 PolarHBondContact O-N 3.35Å; E936-M939 WeakPolarHBondContact O-CB 3.48Å; E936-M939 PolarHBondContact O-N 3.16Å; E936-R941 WeakPolarHBondContact O-CB 3.43Å; E936-R941 PolarHBondContact O-N 3.2Å; E936-R941 IonicContact OE1-NH1 3.36Å; E936-R941 WeakPolarHBondContact OE2-CD 3.4Å; E936-R941 IonicContact OE2-CZ 3.08Å; E936-R941 IonicContact OE2-NE 2.66Å; E936-R941 IonicContact OE2-NH1 2.77Å; E936-R941 PolarHBondContact OE2-NH1 2.91Å; E936-S943 WeakPolarHBondContact CB-OG 3.26Å; E936-L955 HydrophobicContact CG-CD2 4.48Å
937E86.7Confident87.8Confident41 Ų4142.1 Ų42.119%0.19224%0.24CC..Hα-helixtrans-66.6-33.5174.6-74.4174.9169.200113.3R915 M933 S934 A935 M939 G940R915-E937 IonicContact CZ-OE1 2.72Å; R915-E937 IonicContact CZ-OE2 2.9Å; R915-E937 VanDerWaalsContact NH1-CD 3.32Å; R915-E937 IonicContact NH1-OE1 3.59Å; R915-E937 PolarHBondContact NH1-OE1 3.38Å; R915-E937 IonicContact NH1-OE2 2.63Å; R915-E937 PolarHBondContact NH1-OE2 3.07Å; R915-E937 VanDerWaalsContact NH1-OE2 3.14Å; R915-E937 VanDerWaalsContact NH2-CD 3.28Å; R915-E937 IonicContact NH2-OE1 3.19Å; R915-E937 PolarHBondContact NH2-OE1 2.89Å; R915-E937 IonicContact NH2-OE2 3.08Å; R915-E937 PolarHBondContact NH2-OE2 2.88Å; M933-E937 WeakPolarHBondContact CE-OE1 3.36Å; M933-E937 VanDerWaalsContact O-CG 3.31Å; M933-E937 WeakPolarHBondContact O-CG 3.34Å; M933-E937 PolarHBondContact O-N 2.82Å; S934-E937 PolarHBondContact O-N 3.38Å; A935-E937 PolarHBondContact O-N 3.4Å; E937-M939 PolarHBondContact O-N 3.08Å; E937-G940 WeakPolarHBondContact O-CA 3.25Å; E937-G940 PolarHBondContact O-N 3.38Å
938H84.6Confident88.1Confident130 Ų13037.7 Ų37.760%0.60221%0.21SC*.Hα-helixtrans-66.5-28.5173.7-77.985.4000112.1S934 A935 E936 G940S934-H938 PolarHBondContact O-N 2.83Å; S934-H938 PolarHBondContact O-ND1 2.99Å; A935-H938 PolarHBondContact O-N 3.24Å; E936-H938 PolarHBondContact O-N 3.35Å; H938-G940 PolarHBondContact O-N 2.94Å
939M83.3Confident88.2Confident91 Ų9136.2 Ų36.245%0.44820%0.203SC..THydrogen-bonded Turntrans-754.1170.6-60.9179.872.500113A935 E936 E937 R941 A993A935-M939 PolarHBondContact O-N 2.88Å; E936-M939 WeakPolarHBondContact O-CB 3.48Å; E936-M939 PolarHBondContact O-N 3.16Å; E937-M939 PolarHBondContact O-N 3.08Å; M939-R941 VanDerWaalsContact C-N 3.32Å; M939-R941 HydrophobicContact CB-CG 4.24Å; M939-A993 VanDerWaalsContact O-CB 3.23Å; M939-A993 WeakPolarHBondContact O-CB 3.17Å
940G79.9Confident87.9Confident9 Ų938.1 Ų38.19%0.09322%0.223CC..THydrogen-bonded Turntrans78.513.6179.100000114.2E937 H938 T990E937-G940 WeakPolarHBondContact O-CA 3.25Å; E937-G940 PolarHBondContact O-N 3.38Å; H938-G940 PolarHBondContact O-N 2.94Å; G940-T990 WeakPolarHBondContact O-CG2 2.94Å; G940-T990 PolarHBondContact O-OG1 2.85Å
941R88.9Confident87.8Confident46 Ų4636.1 Ų36.117%0.17421%0.214CC..  trans-87.6150179.2-54.8173.3171.1172-3.6110.3E936 M939 A959E936-R941 WeakPolarHBondContact O-CB 3.43Å; E936-R941 PolarHBondContact O-N 3.2Å; E936-R941 IonicContact OE1-NH1 3.36Å; E936-R941 WeakPolarHBondContact OE2-CD 3.4Å; E936-R941 IonicContact OE2-CZ 3.08Å; E936-R941 IonicContact OE2-NE 2.66Å; E936-R941 IonicContact OE2-NH1 2.77Å; E936-R941 PolarHBondContact OE2-NH1 2.91Å; M939-R941 VanDerWaalsContact C-N 3.32Å; M939-R941 HydrophobicContact CB-CG 4.24Å; R941-A959 HydrophobicContact CB-CB 4.4Å; R941-A959 HydrophobicContact CG-CB 4.07Å
942I88.2Confident87.7Confident87 Ų8733.5 Ų33.545%0.44619%0.192SC..EExtended strand (participates in β ladder)trans-87.1116.5172.4-56.7172000107.4I822 V944 S957 I958I822-I942 HydrophobicContact CD1-CG2 3.8Å; I942-V944 HydrophobicContact CG2-CG2 4.25Å; I942-S957 CarbonylContact O-C 3.52Å; I942-S957 WeakPolarHBondContact O-CA 3.34Å; I942-I958 WeakPolarHBondContact CB-O 3.39Å; I942-I958 PolarHBondContact N-O 3.02Å; I942-I958 PolarHBondContact O-N 2.72Å
943S90.8Very high87.7Confident8 Ų831.3 Ų31.36%0.05618%0.181CC..EExtended strand (participates in β ladder)trans-104.3126.9-179.1-65.80000110.3M933 E936 F956M933-S943 WeakPolarHBondContact CE-O 3.46Å; E936-S943 WeakPolarHBondContact CB-OG 3.26Å; S943-F956 WeakPolarHBondContact CA-O 3.33Å
944V92.2Very high87.7Confident13 Ų1331.2 Ų31.28%0.07918%0.181CC..EExtended strand (participates in β ladder)trans-126.6131.5179.9-173.10000109.7I822 V912 I942 L955 F956I822-V944 HydrophobicContact CD1-CG2 4.41Å; I822-V944 HydrophobicContact CG2-CG2 3.88Å; V912-V944 HydrophobicContact CG1-CG1 3.46Å; V912-V944 VanDerWaalsContact CG1-CG1 3.46Å; I942-V944 HydrophobicContact CG2-CG2 4.25Å; V944-L955 WeakPolarHBondContact O-CA 3.4Å; V944-L955 WeakPolarHBondContact O-CD1 3.45Å; V944-F956 PolarHBondContact N-O 3.17Å; V944-F956 PolarHBondContact O-N 3.25Å
945L93.3Very high87.8Confident0 Ų029.8 Ų29.80%017%0.17CC..EExtended strand (participates in β ladder)trans-94.7137.7178.5-69.9165.7000110F796 V912 G913 L918 V925 V929 M933 V952 L955F796-L945 HydrophobicContact CE2-CD2 4.24Å; V912-L945 CarbonylContact C-O 3.41Å; V912-L945 WeakPolarHBondContact CA-O 3.21Å; G913-L945 PolarHBondContact N-O 3.41Å; G913-L945 PolarHBondContact O-N 2.89Å; L918-L945 HydrophobicContact CD1-CB 4.1Å; L918-L945 HydrophobicContact CD2-CB 3.79Å; L918-L945 HydrophobicContact CD2-CD1 3.78Å; L918-L945 HydrophobicContact CD2-CG 4.42Å; V925-L945 HydrophobicContact CG1-CD1 4.13Å; V925-L945 HydrophobicContact CG2-CD1 4.07Å; V929-L945 HydrophobicContact CG1-CD1 4.45Å; V929-L945 HydrophobicContact CG1-CD2 3.64Å; M933-L945 HydrophobicContact SD-CD1 3.76Å; M933-L945 HydrophobicContact SD-CG 4.12Å; L945-V952 HydrophobicContact CD2-CG1 3.99Å; L945-L955 HydrophobicContact CD2-CB 4Å; L945-L955 HydrophobicContact CD2-CD1 3.74Å; L945-L955 HydrophobicContact CD2-CG 4.46Å; L945-L955 HydrophobicContact CG-CD1 4.06Å
946A92.8Very high88Confident0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans-111.1131.8170.800000110V811 L911 V912 A953 A954 F956V811-A946 HydrophobicContact CG1-CB 4.41Å; V811-A946 HydrophobicContact CG2-CB 3.87Å; L911-A946 CarbonylContact O-C 3.58Å; L911-A946 WeakPolarHBondContact O-CA 3.44Å; V912-A946 HydrophobicContact CG2-CB 4.23Å; A946-A953 PolarHBondContact O-N 2.96Å; A946-A954 PolarHBondContact N-O 3.04Å; A946-A954 PolarHBondContact O-N 3.49Å; A946-F956 HydrophobicContact CB-CD2 4.18Å; A946-F956 HydrophobicContact CB-CE2 3.67Å
947V92.1Very high88.3Confident1 Ų126.8 Ų26.81%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-117.3131.4178.1-1750000107.7V910 L911 L918 V923 S951 V952V910-V947 WeakPolarHBondContact CA-O 3.34Å; L911-V947 HydrophobicContact CB-CB 4.12Å; L911-V947 PolarHBondContact N-O 3.2Å; L911-V947 PolarHBondContact O-N 3.41Å; L918-V947 HydrophobicContact CD1-CG2 4.31Å; L918-V947 HydrophobicContact CD2-CG2 3.57Å; L918-V947 HydrophobicContact CG-CG2 3.73Å; V923-V947 HydrophobicContact CG1-CG1 4.13Å; V923-V947 HydrophobicContact CG1-CG2 4.02Å; V923-V947 HydrophobicContact CG2-CG1 4.06Å; V947-S951 CarbonylContact C-O 3.51Å; V947-S951 VanDerWaalsContact CA-O 3.28Å; V947-S951 WeakPolarHBondContact CA-O 2.93Å; V947-S951 WeakPolarHBondContact CG1-O 3.09Å; V947-V952 HydrophobicContact CG2-CG2 4.28Å
948I89.5Confident88.5Confident10 Ų1024.9 Ų24.95%0.05114%0.138CC..EExtended strand (participates in β ladder)trans-119.5124.7176-57.7174.6000107.1L802 V807 V810 V811 Y908 E909 G950 S951 A953L802-I948 HydrophobicContact CD2-CD1 3.73Å; V807-I948 HydrophobicContact CG1-CD1 4.26Å; V810-I948 HydrophobicContact CB-CD1 4.5Å; V810-I948 HydrophobicContact CG1-CD1 4.17Å; V810-I948 HydrophobicContact CG1-CG1 4.36Å; V811-I948 HydrophobicContact CG2-CD1 4.48Å; Y908-I948 HydrophobicContact CD1-CG2 4.16Å; E909-I948 WeakPolarHBondContact O-CA 3.17Å; I948-G950 PolarHBondContact O-N 2.92Å; I948-G950 VanDerWaalsContact O-N 3.16Å; I948-S951 PolarHBondContact N-O 2.91Å; I948-S951 PolarHBondContact O-N 3.45Å; I948-A953 HydrophobicContact CB-CB 4.32Å; I948-A953 HydrophobicContact CD1-CB 3.79Å; I948-A953 HydrophobicContact CG1-CB 3.84Å
949D85.6Confident88.7Confident56 Ų5619.5 Ų19.530%0.29912%0.116SC..THydrogen-bonded Turntrans48.443179.7-59.8-33.8000113.2E909 S951E909-D949 PolarHBondContact N-OD1 3.41Å; E909-D949 PolarHBondContact O-N 2.98Å; D949-S951 VanDerWaalsContact C-N 3.32Å; D949-S951 PolarHBondContact O-N 3.39Å
950G81.3Confident88.9Confident47 Ų4716.6 Ų16.649%0.48510%0.103SC..THydrogen-bonded Turntrans81.3-2.3178.500000116I948I948-G950 PolarHBondContact O-N 2.92Å; I948-G950 VanDerWaalsContact O-N 3.16Å
951S84.1Confident89.3Confident18 Ų1819.1 Ų19.113%0.12611%0.114CC..EExtended strand (participates in β ladder)trans-107.2131.2178.7-58.60000111.8V947 I948 D949 A953V947-S951 CarbonylContact C-O 3.51Å; V947-S951 VanDerWaalsContact CA-O 3.28Å; V947-S951 WeakPolarHBondContact CA-O 2.93Å; V947-S951 WeakPolarHBondContact CG1-O 3.09Å; I948-S951 PolarHBondContact N-O 2.91Å; I948-S951 PolarHBondContact O-N 3.45Å; D949-S951 VanDerWaalsContact C-N 3.32Å; D949-S951 PolarHBondContact O-N 3.39Å; S951-A953 PolarHBondContact O-N 2.96Å; S951-A953 VanDerWaalsContact O-N 3.1Å
952V86.7Confident89.3Confident5 Ų518.4 Ų18.43%0.0312%0.115CC..EExtended strand (participates in β ladder)trans-64.3112.9176.2-176.40000108.9F796 L918 V923 V929 L945 V947F796-V952 HydrophobicContact CD2-CG1 3.97Å; F796-V952 HydrophobicContact CE2-CG1 4.38Å; L918-V952 HydrophobicContact CD2-CG2 4.17Å; V923-V952 HydrophobicContact CG1-CG2 3.83Å; V929-V952 HydrophobicContact CG1-CG1 4.43Å; L945-V952 HydrophobicContact CD2-CG1 3.99Å; V947-V952 HydrophobicContact CG2-CG2 4.28Å
953A87.7Confident89.3Confident1 Ų115 Ų151%0.00810%0.097CC..EExtended strand (participates in β ladder)trans-94-48.1-171.300000112.9F796 I797 A946 I948 S951F796-A953 PolarHBondContact N-O 3.47Å; I797-A953 VanDerWaalsContact CD1-CA 3.45Å; I797-A953 HydrophobicContact CD1-CB 3.42Å; I797-A953 VanDerWaalsContact CD1-CB 3.42Å; I797-A953 HydrophobicContact CG1-CB 4.31Å; A946-A953 PolarHBondContact O-N 2.96Å; I948-A953 HydrophobicContact CB-CB 4.32Å; I948-A953 HydrophobicContact CD1-CB 3.79Å; I948-A953 HydrophobicContact CG1-CB 3.84Å; S951-A953 PolarHBondContact O-N 2.96Å; S951-A953 VanDerWaalsContact O-N 3.1Å
954A89.9Confident89.1Confident0 Ų020 Ų200%013%0.126CC..EExtended strand (participates in β ladder)trans-152.4154.2-172.400000112.4L793 C794 L795 V807 A946 F956L793-A954 HydrophobicContact CD1-CB 4.06Å; C794-A954 CarbonylContact O-C 3.48Å; C794-A954 VanDerWaalsContact O-CA 3.24Å; C794-A954 WeakPolarHBondContact O-CA 3.43Å; L795-A954 HydrophobicContact CD2-CB 4.1Å; V807-A954 HydrophobicContact CG1-CB 4.45Å; A946-A954 PolarHBondContact N-O 3.04Å; A946-A954 PolarHBondContact O-N 3.49Å; A954-F956 HydrophobicContact CB-CD2 4.35Å; A954-F956 HydrophobicContact CB-CE2 3.74Å; A954-F956 HydrophobicContact CB-CZ 4.24Å
955L91.5Very high89Confident0 Ų020.7 Ų20.70%013%0.129CC..EExtended strand (participates in β ladder)trans-110.9122.4165.9174.870.1000108.9C794 F796 I932 M933 E936 V944 L945C794-L955 HydrophobicContact CB-CB 4.16Å; C794-L955 PolarHBondContact N-O 2.83Å; C794-L955 PolarHBondContact O-N 3.19Å; F796-L955 HydrophobicContact CE2-CB 3.73Å; F796-L955 HydrophobicContact CZ-CB 4.05Å; I932-L955 HydrophobicContact CG2-CD2 3.84Å; M933-L955 HydrophobicContact CB-CD1 4.46Å; M933-L955 HydrophobicContact CB-CD2 4.38Å; M933-L955 HydrophobicContact CG-CD1 4.16Å; E936-L955 HydrophobicContact CG-CD2 4.48Å; V944-L955 WeakPolarHBondContact O-CA 3.4Å; V944-L955 WeakPolarHBondContact O-CD1 3.45Å; L945-L955 HydrophobicContact CD2-CB 4Å; L945-L955 HydrophobicContact CD2-CD1 3.74Å; L945-L955 HydrophobicContact CD2-CG 4.46Å; L945-L955 HydrophobicContact CG-CD1 4.06Å
956F92.5Very high88.9Confident0 Ų020.7 Ų20.70%013%0.129CC..EExtended strand (participates in β ladder)trans-99.7114.5174.4-65.7-95.1000108.9L790 L793 L808 V811 I826 S943 V944 A946 A954 I958L790-F956 HydrophobicContact CD1-CB 3.84Å; L790-F956 HydrophobicContact CD1-CD1 3.77Å; L790-F956 HydrophobicContact CD1-CG 4.31Å; L790-F956 HydrophobicContact CD2-CD1 4.08Å; L793-F956 HydrophobicContact CD1-CD1 3.63Å; L793-F956 HydrophobicContact CD1-CD2 4.36Å; L793-F956 HydrophobicContact CD1-CE1 3.47Å; L793-F956 VanDerWaalsContact CD1-CE1 3.47Å; L793-F956 HydrophobicContact CD1-CE2 4.21Å; L793-F956 HydrophobicContact CD1-CG 4.08Å; L793-F956 HydrophobicContact CD1-CZ 3.78Å; L808-F956 HydrophobicContact CD2-CE1 4.15Å; L808-F956 HydrophobicContact CD2-CZ 4.46Å; V811-F956 HydrophobicContact CB-CZ 4.19Å; V811-F956 HydrophobicContact CG1-CE2 3.87Å; V811-F956 HydrophobicContact CG1-CZ 3.79Å; V811-F956 HydrophobicContact CG2-CE2 4.32Å; V811-F956 HydrophobicContact CG2-CZ 4.29Å; I826-F956 HydrophobicContact CD1-CB 4.44Å; I826-F956 HydrophobicContact CD1-CD1 4.46Å; I826-F956 HydrophobicContact CD1-CG 4.32Å; I826-F956 HydrophobicContact CG1-CD1 4.25Å; I826-F956 HydrophobicContact CG2-CE1 4.32Å; S943-F956 WeakPolarHBondContact CA-O 3.33Å; V944-F956 PolarHBondContact N-O 3.17Å; V944-F956 PolarHBondContact O-N 3.25Å; A946-F956 HydrophobicContact CB-CD2 4.18Å; A946-F956 HydrophobicContact CB-CE2 3.67Å; A954-F956 HydrophobicContact CB-CD2 4.35Å; A954-F956 HydrophobicContact CB-CE2 3.74Å; A954-F956 HydrophobicContact CB-CZ 4.24Å; F956-I958 HydrophobicContact CB-CD1 4.49Å
957S92.5Very high88.8Confident0 Ų021.2 Ų21.20%013%0.133CC..EExtended strand (participates in β ladder)trans-101.9112.4175.8-61.60000109.7V791 K792 I942V791-S957 PolarHBondContact N-O 3.5Å; K792-S957 PolarHBondContact N-O 3.08Å; K792-S957 PolarHBondContact O-N 3.35Å; I942-S957 CarbonylContact O-C 3.52Å; I942-S957 WeakPolarHBondContact O-CA 3.34Å
958I91Very high88.8Confident0 Ų021.2 Ų21.20%013%0.133CC..EExtended strand (participates in β ladder)trans-113.6135.1-173.1-65.4157.9000108.4P788 Q789 L790 I822 I826 I942 F956P788-I958 HydrophobicContact CB-CG2 3.65Å; Q789-I958 WeakPolarHBondContact O-CA 3.43Å; L790-I958 HydrophobicContact CD1-CG1 3.85Å; I822-I958 HydrophobicContact CB-CD1 4.28Å; I822-I958 HydrophobicContact CG2-CD1 3.4Å; I822-I958 VanDerWaalsContact CG2-CD1 3.4Å; I826-I958 HydrophobicContact CD1-CD1 4.09Å; I826-I958 HydrophobicContact CG1-CD1 3.94Å; I942-I958 WeakPolarHBondContact CB-O 3.39Å; I942-I958 PolarHBondContact N-O 3.02Å; I942-I958 PolarHBondContact O-N 2.72Å; F956-I958 HydrophobicContact CB-CD1 4.49Å
959A88.5Confident88.9Confident17 Ų1720.8 Ų20.814%0.1413%0.131CC..EExtended strand (participates in β ladder)trans-145.5160.6174.400000110.8Q789 V791 R941Q789-A959 PolarHBondContact N-O 3.28Å; Q789-A959 PolarHBondContact O-N 2.9Å; V791-A959 HydrophobicContact CG2-CB 3.81Å; R941-A959 HydrophobicContact CB-CB 4.4Å; R941-A959 HydrophobicContact CG-CB 4.07Å
960D87.4Confident89.2Confident30 Ų3018.3 Ų18.316%0.1612%0.118CC..EExtended strand (participates in β ladder)trans-85.8115.6167.1-170.713.8000108.2T784 G786 K787T784-D960 WeakPolarHBondContact CB-OD1 3.48Å; T784-D960 WeakPolarHBondContact CB-OD2 3.18Å; T784-D960 VanDerWaalsContact OG1-CG 3.28Å; T784-D960 PolarHBondContact OG1-OD2 3.22Å; G786-D960 WeakPolarHBondContact CA-OD1 3.39Å; G786-D960 WeakPolarHBondContact CA-OD2 3.45Å; G786-D960 PolarHBondContact N-OD1 3.31Å; G786-D960 PolarHBondContact N-OD2 2.91Å; K787-D960 PolarHBondContact N-OD1 2.76Å
961L87.9Confident89.7Confident63 Ų6317.4 Ų17.433%0.3310%0.1SC..EExtended strand (participates in β ladder)trans-74.7141.4-173.6-67179.9000110.9T784 E785 Q789 V791T784-L961 CarbonylContact C-O 3.6Å; T784-L961 WeakPolarHBondContact CA-O 3.27Å; T784-L961 VanDerWaalsContact CB-O 3.25Å; T784-L961 WeakPolarHBondContact CB-O 3.29Å; E785-L961 PolarHBondContact N-O 2.88Å; Q789-L961 HydrophobicContact CB-CD1 4.44Å; Q789-L961 VanDerWaalsContact OE1-CD1 3.25Å; V791-L961 HydrophobicContact CG2-CD2 3.74Å
962V89.4Confident90Very high31 Ų3117 Ų1719%0.18810%0.097CC..EExtended strand (participates in β ladder)trans-73.4134.3172.9177.20000109.3I783 T784 T994 Q997 V998I783-V962 HydrophobicContact CG2-CG1 4.08Å; T784-V962 HydrophobicContact CG2-CG2 4.29Å; V962-T994 HydrophobicContact CG2-CG2 3.92Å; V962-Q997 VanDerWaalsContact CG2-OE1 3.31Å; V962-V998 HydrophobicContact CG1-CG2 3.51Å; V962-V998 HydrophobicContact CG2-CG2 4.48Å
963K89.3Confident90.3Very high16 Ų1616.8 Ų16.87%0.0710%0.096CC..PPolyproline II helixtrans-61144.1176.2-56.6176.1178.7168.40111G781 T782 I783 T784 E785 E965 S966 N1076 L1078G781-K963 PolarHBondContact O-NZ 3.37Å; T782-K963 VanDerWaalsContact O-CE 3.32Å; T782-K963 WeakPolarHBondContact O-CE 3.3Å; T782-K963 PolarHBondContact O-NZ 3.17Å; I783-K963 PolarHBondContact O-N 2.97Å; T784-K963 VanDerWaalsContact O-CE 3.23Å; T784-K963 WeakPolarHBondContact O-CE 3.49Å; E785-K963 HydrophobicContact CG-CG 4.39Å; K963-E965 HydrophobicContact CB-CG 4.47Å; K963-E965 WeakPolarHBondContact CD-OE1 3.43Å; K963-E965 PolarHBondContact O-N 2.81Å; K963-E965 VanDerWaalsContact O-N 3.16Å; K963-S966 WeakPolarHBondContact CB-OG 3.4Å; K963-S966 WeakPolarHBondContact O-CB 3.25Å; K963-S966 PolarHBondContact O-N 2.96Å; K963-S966 VanDerWaalsContact O-N 3.1Å; K963-S966 PolarHBondContact O-OG 3.32Å; K963-N1076 PolarHBondContact NZ-O 3.46Å; K963-L1078 HydrophobicContact CD-CD1 4.49Å
964T87.2Confident90.4Very high111 Ų11119.7 Ų19.768%0.68111%0.111SC*.THydrogen-bonded Turntrans-60.8-29.9-173.7630000113.5
965E89.2Confident90.4Very high28 Ų2827.4 Ų27.413%0.13114%0.14CC..THydrogen-bonded Turntrans-87.4-16.1-178.566.1-85.8-165.500113.7K963 A967 L968 A969 L1078 L1079K963-E965 HydrophobicContact CB-CG 4.47Å; K963-E965 WeakPolarHBondContact CD-OE1 3.43Å; K963-E965 PolarHBondContact O-N 2.81Å; K963-E965 VanDerWaalsContact O-N 3.16Å; E965-A967 VanDerWaalsContact C-N 3.33Å; E965-A967 PolarHBondContact O-N 3.3Å; E965-L968 WeakPolarHBondContact O-CA 3.38Å; E965-L968 WeakPolarHBondContact O-CB 3.29Å; E965-L968 PolarHBondContact O-N 3.42Å; E965-A969 PolarHBondContact O-N 3.41Å; E965-L1078 HydrophobicContact CG-CB 4.27Å; E965-L1079 HydrophobicContact CB-CD1 4.3Å; E965-L1079 HydrophobicContact CB-CG 4.1Å
966S91.4Very high90.2Very high1 Ų131.4 Ų31.41%0.00716%0.16CC..Hα-helixtrans-55.3-45.9-174.6-66.90000112.4I783 K963 L968 A969 V970 L1078I783-S966 PolarHBondContact O-OG 2.92Å; K963-S966 WeakPolarHBondContact CB-OG 3.4Å; K963-S966 WeakPolarHBondContact O-CB 3.25Å; K963-S966 PolarHBondContact O-N 2.96Å; K963-S966 VanDerWaalsContact O-N 3.1Å; K963-S966 PolarHBondContact O-OG 3.32Å; S966-L968 VanDerWaalsContact C-N 3.32Å; S966-L968 PolarHBondContact O-N 3.05Å; S966-A969 PolarHBondContact O-N 3.42Å; S966-V970 PolarHBondContact O-N 2.9Å; S966-L1078 VanDerWaalsContact OG-CD1 3.22Å; S966-L1078 WeakPolarHBondContact OG-CD1 3.2Å
967A90.6Very high89.9Confident10 Ų1034.4 Ų34.48%0.08319%0.191CC..Hα-helixtrans-64.7-36.2178.600000112.2E965 Y971E965-A967 VanDerWaalsContact C-N 3.33Å; E965-A967 PolarHBondContact O-N 3.3Å; A967-Y971 VanDerWaalsContact O-CB 3.29Å; A967-Y971 WeakPolarHBondContact O-CB 3.31Å; A967-Y971 PolarHBondContact O-N 3.12Å
968L91.1Very high89.7Confident2 Ų234.9 Ų34.91%0.0119%0.194CC..Hα-helixtrans-72.3-39.4177.5-176.662.9000111.8E965 S966 S972 L1079 Q1175 L1178 Y1183E965-L968 WeakPolarHBondContact O-CA 3.38Å; E965-L968 WeakPolarHBondContact O-CB 3.29Å; E965-L968 PolarHBondContact O-N 3.42Å; S966-L968 VanDerWaalsContact C-N 3.32Å; S966-L968 PolarHBondContact O-N 3.05Å; L968-S972 WeakPolarHBondContact O-CB 3.3Å; L968-S972 PolarHBondContact O-N 3.46Å; L968-S972 PolarHBondContact O-OG 3.15Å; L968-L1079 HydrophobicContact CB-CD2 4.41Å; L968-L1079 HydrophobicContact CD2-CD1 4.49Å; L968-L1079 HydrophobicContact CD2-CD2 4.13Å; L968-L1079 HydrophobicContact CG-CD2 4.13Å; L968-Q1175 HydrophobicContact CD2-CB 4.44Å; L968-Q1175 HydrophobicContact CD2-CG 3.65Å; L968-L1178 HydrophobicContact CD1-CB 4.04Å; L968-L1178 HydrophobicContact CD2-CB 4Å; L968-L1178 HydrophobicContact CG-CB 4.15Å; L968-Y1183 HydrophobicContact CB-CE1 4.47Å; L968-Y1183 HydrophobicContact CB-CE2 4.08Å; L968-Y1183 HydrophobicContact CD1-CD1 3.88Å; L968-Y1183 HydrophobicContact CD1-CD2 3.71Å; L968-Y1183 HydrophobicContact CD1-CE1 4.02Å; L968-Y1183 HydrophobicContact CD1-CE2 3.86Å; L968-Y1183 HydrophobicContact CD1-CG 3.72Å; L968-Y1183 PolarHBondContact N-OH 2.71Å
969A91.9Very high89.7Confident1 Ų140.1 Ų40.11%0.00822%0.217CC..Hα-helixtrans-62-50.1175.900000111E965 S966 Y971 S972 L973 L1078 L1079 V1082E965-A969 PolarHBondContact O-N 3.41Å; S966-A969 PolarHBondContact O-N 3.42Å; A969-Y971 PolarHBondContact O-N 3.31Å; A969-S972 PolarHBondContact O-N 3.42Å; A969-S972 VanDerWaalsContact O-N 3.17Å; A969-L973 WeakPolarHBondContact O-CG 3.37Å; A969-L973 PolarHBondContact O-N 3.22Å; A969-L1078 HydrophobicContact CB-CB 3.96Å; A969-L1079 HydrophobicContact CB-CD2 4.15Å; A969-V1082 HydrophobicContact CB-CG2 4.43Å
970V92.5Very high89.8Confident3 Ų339.6 Ų39.62%0.01821%0.211CC..Hα-helixtrans-63.4-40.8178.3168.20000112.1F777 S966 S972 L973 N974 T980 V998 I1000F777-V970 HydrophobicContact CE2-CG2 4.07Å; S966-V970 PolarHBondContact O-N 2.9Å; V970-S972 VanDerWaalsContact C-N 3.34Å; V970-S972 PolarHBondContact O-N 2.8Å; V970-L973 PolarHBondContact O-N 3Å; V970-N974 WeakPolarHBondContact O-CB 3.24Å; V970-N974 PolarHBondContact O-N 3.37Å; V970-N974 PolarHBondContact O-ND2 2.89Å; V970-N974 VanDerWaalsContact O-ND2 3.13Å; V970-T980 HydrophobicContact CG1-CG2 4.13Å; V970-T980 HydrophobicContact CG2-CG2 4.48Å; V970-V998 HydrophobicContact CB-CG1 3.7Å; V970-V998 HydrophobicContact CG1-CG1 4.16Å; V970-V998 HydrophobicContact CG2-CG1 3.36Å; V970-I1000 HydrophobicContact CG1-CG1 3.99Å; V970-I1000 HydrophobicContact CG2-CD1 4.33Å; V970-I1000 HydrophobicContact CG2-CG1 4.21Å
971Y91.7Very high90.1Very high29 Ų2938.5 Ų38.511%0.11421%0.206CC..Hα-helixtrans-59-45.5172.8172.7-99.8000112.1A967 A969 N974 R975 D1182 Y1183 H1186A967-Y971 VanDerWaalsContact O-CB 3.29Å; A967-Y971 WeakPolarHBondContact O-CB 3.31Å; A967-Y971 PolarHBondContact O-N 3.12Å; A969-Y971 PolarHBondContact O-N 3.31Å; Y971-N974 PolarHBondContact O-N 3.33Å; Y971-R975 WeakPolarHBondContact O-CB 3.5Å; Y971-R975 PolarHBondContact O-N 3.32Å; Y971-D1182 WeakPolarHBondContact OH-CB 3.46Å; Y971-Y1183 AromaticContact CD1-CD2 3.72Å; Y971-Y1183 HydrophobicContact CD1-CD2 3.72Å; Y971-Y1183 HydrophobicContact CD1-CG 4.35Å; Y971-Y1183 HydrophobicContact CD2-CD2 4.33Å; Y971-Y1183 HydrophobicContact CE1-CD2 4.33Å; Y971-Y1183 AromaticContact CG-CD2 3.72Å; Y971-Y1183 HydrophobicContact CG-CD2 3.72Å; Y971-Y1183 HydrophobicContact CG-CE2 4.42Å; Y971-H1186 HydrophobicContact CD2-CB 3.95Å; Y971-H1186 AromaticContact CD2-CD2 3.79Å; Y971-H1186 AromaticContact CD2-CE1 3.94Å; Y971-H1186 AromaticContact CD2-CG 3.54Å; Y971-H1186 AromaticContact CD2-ND1 3.64Å; Y971-H1186 HydrophobicContact CE2-CB 3.8Å; Y971-H1186 AromaticContact CE2-CD2 3.98Å; Y971-H1186 AromaticContact CE2-CG 3.8Å
972S90.6Very high90.3Very high9 Ų935.5 Ų35.56%0.06319%0.19CC..Hα-helixtrans-64.9-41.2-179.2-590000112L968 A969 V970 R975 M976L968-S972 WeakPolarHBondContact O-CB 3.3Å; L968-S972 PolarHBondContact O-N 3.46Å; L968-S972 PolarHBondContact O-OG 3.15Å; A969-S972 PolarHBondContact O-N 3.42Å; A969-S972 VanDerWaalsContact O-N 3.17Å; V970-S972 VanDerWaalsContact C-N 3.34Å; V970-S972 PolarHBondContact O-N 2.8Å; S972-R975 PolarHBondContact O-N 3.29Å; S972-M976 WeakPolarHBondContact O-CG 3.25Å; S972-M976 PolarHBondContact O-N 3.46Å
973L92.1Very high90.3Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-64.5-45.1175.7-69.1170.7000112.2I775 F777 A969 V970 R975 M976 G977 I978 T980 V1082 I1085I775-L973 HydrophobicContact CD1-CD1 3.85Å; I775-L973 HydrophobicContact CD1-CD2 3.65Å; I775-L973 HydrophobicContact CD1-CG 4.3Å; F777-L973 HydrophobicContact CE2-CD1 3.86Å; F777-L973 HydrophobicContact CZ-CD1 3.44Å; F777-L973 VanDerWaalsContact CZ-CD1 3.44Å; A969-L973 WeakPolarHBondContact O-CG 3.37Å; A969-L973 PolarHBondContact O-N 3.22Å; V970-L973 PolarHBondContact O-N 3Å; L973-R975 VanDerWaalsContact C-N 3.28Å; L973-R975 PolarHBondContact O-N 3.03Å; L973-M976 WeakPolarHBondContact O-CA 3.31Å; L973-M976 WeakPolarHBondContact O-CB 3.34Å; L973-M976 PolarHBondContact O-N 3.15Å; L973-G977 PolarHBondContact O-N 2.72Å; L973-I978 HydrophobicContact CB-CB 4.46Å; L973-I978 HydrophobicContact CD2-CD1 4.08Å; L973-I978 WeakPolarHBondContact O-CB 3.28Å; L973-I978 PolarHBondContact O-N 2.91Å; L973-T980 HydrophobicContact CB-CG2 4.06Å; L973-T980 HydrophobicContact CD1-CG2 4.28Å; L973-V1082 HydrophobicContact CD2-CG2 4.09Å; L973-V1082 HydrophobicContact CG-CG2 4.05Å; L973-I1085 HydrophobicContact CD2-CD1 3.83Å
974N90.8Very high90.3Very high63 Ų6333.4 Ų33.434%0.33718%0.178SC..Hα-helixtrans-62.1-37.8175.8-75.3-39.2000111.4V970 Y971 M976 G977 I978V970-N974 WeakPolarHBondContact O-CB 3.24Å; V970-N974 PolarHBondContact O-N 3.37Å; V970-N974 PolarHBondContact O-ND2 2.89Å; V970-N974 VanDerWaalsContact O-ND2 3.13Å; Y971-N974 PolarHBondContact O-N 3.33Å; N974-M976 VanDerWaalsContact C-N 3.29Å; N974-M976 PolarHBondContact O-N 3.31Å; N974-G977 PolarHBondContact O-N 2.92Å; N974-I978 PolarHBondContact OD1-O 3.45Å; N974-I978 VanDerWaalsContact OD1-O 3.12Å
975R89.1Confident90Very high161 Ų16130.2 Ų30.261%0.60817%0.168SC*.Hα-helixtrans-65.9-28.8174.3-175.9178.6167.1-172.8-1.6112.9Y971 S972 L973 G977Y971-R975 WeakPolarHBondContact O-CB 3.5Å; Y971-R975 PolarHBondContact O-N 3.32Å; S972-R975 PolarHBondContact O-N 3.29Å; L973-R975 VanDerWaalsContact C-N 3.28Å; L973-R975 PolarHBondContact O-N 3.03Å; R975-G977 PolarHBondContact O-N 2.84Å
976M87.3Confident89.8Confident84 Ų8431.5 Ų31.541%0.41418%0.176SC..THydrogen-bonded Turntrans-76.1-2171.6-67.817269.200113.3S972 L973 N974 I978 V1082 I1085S972-M976 WeakPolarHBondContact O-CG 3.25Å; S972-M976 PolarHBondContact O-N 3.46Å; L973-M976 WeakPolarHBondContact O-CA 3.31Å; L973-M976 WeakPolarHBondContact O-CB 3.34Å; L973-M976 PolarHBondContact O-N 3.15Å; N974-M976 VanDerWaalsContact C-N 3.29Å; N974-M976 PolarHBondContact O-N 3.31Å; M976-I978 HydrophobicContact CB-CD1 4.2Å; M976-I978 HydrophobicContact CB-CG1 4.24Å; M976-I978 HydrophobicContact CE-CD1 4.42Å; M976-V1082 HydrophobicContact SD-CG1 3.94Å; M976-I1085 HydrophobicContact CE-CB 4.25Å; M976-I1085 HydrophobicContact CE-CG2 3.6Å
977G85.7Confident89.4Confident64 Ų6434 Ų3466%0.6619%0.193SC*.THydrogen-bonded Turntrans82.216.2-17700000113.8L973 N974 R975L973-G977 PolarHBondContact O-N 2.72Å; N974-G977 PolarHBondContact O-N 2.92Å; R975-G977 PolarHBondContact O-N 2.84Å
978I89.8Confident89.1Confident9 Ų933.9 Ų33.95%0.04619%0.191CC..PPolyproline II helixtrans-96.9122.7-179.5-57.1174.4000108.8I772 T773 I775 L973 N974 M976 I1085I772-I978 HydrophobicContact CG2-CG2 4.27Å; T773-I978 WeakPolarHBondContact O-CA 3.47Å; I775-I978 HydrophobicContact CB-CG2 4.23Å; I775-I978 HydrophobicContact CD1-CD1 4.43Å; I775-I978 HydrophobicContact CD1-CG2 3.71Å; I775-I978 HydrophobicContact CG1-CG2 3.68Å; L973-I978 HydrophobicContact CB-CB 4.46Å; L973-I978 HydrophobicContact CD2-CD1 4.08Å; L973-I978 WeakPolarHBondContact O-CB 3.28Å; L973-I978 PolarHBondContact O-N 2.91Å; N974-I978 PolarHBondContact OD1-O 3.45Å; N974-I978 VanDerWaalsContact OD1-O 3.12Å; M976-I978 HydrophobicContact CB-CD1 4.2Å; M976-I978 HydrophobicContact CB-CG1 4.24Å; M976-I978 HydrophobicContact CE-CD1 4.42Å; I978-I1085 HydrophobicContact CD1-CD1 4Å; I978-I1085 HydrophobicContact CD1-CG2 4.05Å
979K89.7Confident88.9Confident111 Ų11139.9 Ų39.948%0.48321%0.214SC..EExtended strand (participates in β ladder)trans-75.1128.3177.5-177.1178.1179.11790110.5T773 T774 I775T773-K979 PolarHBondContact O-N 3.27Å; T774-K979 CarbonylContact C-O 3.57Å; T774-K979 VanDerWaalsContact CA-O 3.26Å; T774-K979 WeakPolarHBondContact CA-O 3.46Å; T774-K979 HydrophobicContact CG2-CB 4.49Å; I775-K979 PolarHBondContact N-O 3.33Å
980T92.3Very high88.6Confident5 Ų541.2 Ų41.23%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-98.1136.8175.759.70000112.1I775 F777 V970 L973I775-T980 CarbonylContact O-C 3.42Å; I775-T980 WeakPolarHBondContact O-CA 3.45Å; F777-T980 HydrophobicContact CE2-CG2 3.91Å; V970-T980 HydrophobicContact CG1-CG2 4.13Å; V970-T980 HydrophobicContact CG2-CG2 4.48Å; L973-T980 HydrophobicContact CB-CG2 4.06Å; L973-T980 HydrophobicContact CD1-CG2 4.28Å
981I92.2Very high88.4Confident7 Ų741.1 Ų41.14%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-128.1137.7176.7-61.5178.7000109T774 I775 I776 F777 T1002 F1004 L1019T774-I981 HydrophobicContact CG2-CD1 3.6Å; T774-I981 HydrophobicContact CG2-CG1 4.05Å; I775-I981 PolarHBondContact O-N 3.4Å; I776-I981 CarbonylContact C-O 3.57Å; I776-I981 WeakPolarHBondContact CA-O 3.43Å; I776-I981 HydrophobicContact CG1-CB 4.3Å; F777-I981 PolarHBondContact N-O 2.9Å; I981-T1002 WeakPolarHBondContact CA-O 3.28Å; I981-T1002 HydrophobicContact CG1-CG2 4.37Å; I981-T1002 HydrophobicContact CG2-CG2 4.3Å; I981-F1004 HydrophobicContact CG2-CD2 3.57Å; I981-F1004 HydrophobicContact CG2-CE2 3.68Å; I981-L1019 HydrophobicContact CD1-CD1 4.05Å
982L92.4Very high88.3Confident0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-96.7127.8171.6-176.665000109.5K779 I783 A991 A995 I1000 T1002 V1003 F1004K779-L982 HydrophobicContact CB-CD1 4.11Å; I783-L982 HydrophobicContact CD1-CD1 3.66Å; L982-A991 HydrophobicContact CD2-CB 4.5Å; L982-A991 WeakPolarHBondContact CD2-O 3.36Å; L982-A995 HydrophobicContact CD2-CB 4.04Å; L982-I1000 HydrophobicContact CB-CD1 4.07Å; L982-I1000 HydrophobicContact CB-CG2 4.04Å; L982-I1000 HydrophobicContact CD1-CD1 4.44Å; L982-T1002 PolarHBondContact N-O 3.24Å; L982-V1003 HydrophobicContact CB-CG1 4.3Å; L982-V1003 HydrophobicContact CB-CG2 4.21Å; L982-V1003 HydrophobicContact CD2-CG1 4.02Å; L982-V1003 HydrophobicContact CD2-CG2 4.37Å; L982-V1003 HydrophobicContact CG-CG1 4.37Å; L982-V1003 WeakPolarHBondContact O-CA 3.25Å; L982-F1004 PolarHBondContact O-N 3.06Å
983L90.1Very high88.1Confident1 Ų141.7 Ų41.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-128.6108.6179.1-177.667.7000109.3I776 F777 F1004 V1007 K1012 K1015I776-L983 HydrophobicContact CG2-CB 3.45Å; I776-L983 VanDerWaalsContact CG2-CB 3.45Å; I776-L983 HydrophobicContact CG2-CD2 3.85Å; I776-L983 HydrophobicContact CG2-CG 4.31Å; F777-L983 PolarHBondContact O-N 2.94Å; L983-F1004 WeakPolarHBondContact CA-O 3.41Å; L983-F1004 HydrophobicContact CD1-CB 3.54Å; L983-F1004 HydrophobicContact CD1-CG 4.25Å; L983-V1007 HydrophobicContact CD1-CB 4.21Å; L983-V1007 HydrophobicContact CD1-CG1 4.04Å; L983-V1007 HydrophobicContact CD1-CG2 3.88Å; L983-K1012 HydrophobicContact CD2-CB 3.82Å; L983-K1012 HydrophobicContact CD2-CD 4.28Å; L983-K1012 HydrophobicContact CD2-CG 3.88Å; L983-K1012 HydrophobicContact CG-CD 4.38Å; L983-K1012 HydrophobicContact CG-CG 4.06Å; L983-K1015 HydrophobicContact CD1-CG 4.47Å
984T88.3Confident87.9Confident2 Ų242 Ų421%0.01223%0.23CC..  trans-138.4151.2-171.9-174.90000113.1D986 A991 F1004 A1005 E1006 V1007T984-D986 VanDerWaalsContact C-N 3.32Å; T984-D986 HydrophobicContact CG2-CB 4.32Å; T984-D986 PolarHBondContact OG1-N 2.95Å; T984-D986 VanDerWaalsContact OG1-N 3.15Å; T984-A991 HydrophobicContact CG2-CB 3.53Å; T984-F1004 PolarHBondContact N-O 2.87Å; T984-A1005 HydrophobicContact CG2-CB 4.4Å; T984-A1005 CarbonylContact O-C 3.57Å; T984-A1005 WeakPolarHBondContact O-CA 3.5Å; T984-E1006 PolarHBondContact O-N 3.33Å; T984-E1006 VanDerWaalsContact O-N 3.17Å; T984-V1007 PolarHBondContact O-N 3.49Å
985G81.6Confident87.9Confident44 Ų4439.1 Ų39.145%0.45421%0.214SC..SBendtrans-81.2-10.7169.800000113.6V1007G985-V1007 WeakPolarHBondContact CA-O 3.48Å
986D83.9Confident87.9Confident56 Ų5634.5 Ų34.530%0.29920%0.199SC..SBendtrans-71.4165.6-177.6-79.2-12.9000113.1K779 T984 E1006K779-D986 HydrophobicContact CD-CB 4.42Å; K779-D986 WeakPolarHBondContact CD-OD2 3.45Å; K779-D986 IonicContact NZ-OD2 3.82Å; K779-D986 PolarHBondContact NZ-OD2 3.26Å; T984-D986 VanDerWaalsContact C-N 3.32Å; T984-D986 HydrophobicContact CG2-CB 4.32Å; T984-D986 PolarHBondContact OG1-N 2.95Å; T984-D986 VanDerWaalsContact OG1-N 3.15Å; D986-E1006 PolarHBondContact O-N 2.87Å
987S83.1Confident87.9Confident53 Ų5335.7 Ų35.737%0.37120%0.203SC..  trans-53.8144.3176.685.20000111.6R989 T990 A991S987-R989 PolarHBondContact O-N 2.91Å; S987-T990 PolarHBondContact O-N 3.43Å; S987-T990 VanDerWaalsContact O-N 3.13Å; S987-T990 PolarHBondContact OG-N 2.95Å; S987-T990 PolarHBondContact OG-OG1 3.3Å; S987-A991 WeakPolarHBondContact O-CB 3.35Å; S987-A991 PolarHBondContact O-N 2.08Å
988S85.9Confident88Confident7 Ų732.7 Ų32.75%0.04917%0.172CC..Hα-helixtrans-55.6-32.5177.546.50000114.3L992 E1006 R1202S988-L992 VanDerWaalsContact O-CB 3.27Å; S988-L992 WeakPolarHBondContact O-CB 3.46Å; S988-L992 PolarHBondContact O-N 3.17Å; S988-E1006 VanDerWaalsContact CB-OE1 3.28Å; S988-E1006 WeakPolarHBondContact CB-OE1 3.38Å; S988-E1006 PolarHBondContact N-OE1 3.21Å; S988-E1006 PolarHBondContact OG-OE1 2.79Å; S988-R1202 VanDerWaalsContact OG-CZ 3.25Å; S988-R1202 PolarHBondContact OG-NE 2.91Å; S988-R1202 VanDerWaalsContact OG-NE 3.11Å; S988-R1202 PolarHBondContact OG-NH2 3.15Å
989R85.7Confident88Confident129 Ų12932.5 Ų32.549%0.48717%0.173SC..Hα-helixtrans-66.4-48.7175.8-63.8-179.2-173.5163.50.6111.6S987 L992 A993S987-R989 PolarHBondContact O-N 2.91Å; R989-L992 PolarHBondContact O-N 3.14Å; R989-A993 WeakPolarHBondContact O-CB 3.28Å; R989-A993 PolarHBondContact O-N 3.33Å
990T86.5Confident88Confident29 Ų2927.3 Ų27.318%0.17815%0.15CC..Hα-helixtrans-65.7-40.3178.9-49.60000111.6G940 S987 A993 T994G940-T990 WeakPolarHBondContact O-CG2 2.94Å; G940-T990 PolarHBondContact O-OG1 2.85Å; S987-T990 PolarHBondContact O-N 3.43Å; S987-T990 VanDerWaalsContact O-N 3.13Å; S987-T990 PolarHBondContact OG-N 2.95Å; S987-T990 PolarHBondContact OG-OG1 3.3Å; T990-A993 PolarHBondContact O-N 3.43Å; T990-T994 WeakPolarHBondContact O-CB 3.24Å; T990-T994 PolarHBondContact O-N 3.46Å; T990-T994 PolarHBondContact O-OG1 3.31Å
991A88.1Confident87.7Confident0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-62.4-44.5176.300000111.8L982 T984 S987 T994 A995 V1003 A1005L982-A991 HydrophobicContact CD2-CB 4.5Å; L982-A991 WeakPolarHBondContact CD2-O 3.36Å; T984-A991 HydrophobicContact CG2-CB 3.53Å; S987-A991 WeakPolarHBondContact O-CB 3.35Å; S987-A991 PolarHBondContact O-N 2.08Å; A991-T994 PolarHBondContact O-N 3.44Å; A991-A995 VanDerWaalsContact O-CB 3.31Å; A991-A995 WeakPolarHBondContact O-CB 3.44Å; A991-A995 PolarHBondContact O-N 2.98Å; A991-V1003 HydrophobicContact CB-CG1 3.74Å; A991-A1005 HydrophobicContact CB-CB 3.67Å
992L88.6Confident87.5Confident33 Ų3334.2 Ų34.217%0.17318%0.181CC..Hα-helixtrans-63.1-47.2177.2-176.666.6000111.8S988 R989 T994 A995 K996 D1195 I1198S988-L992 VanDerWaalsContact O-CB 3.27Å; S988-L992 WeakPolarHBondContact O-CB 3.46Å; S988-L992 PolarHBondContact O-N 3.17Å; R989-L992 PolarHBondContact O-N 3.14Å; L992-T994 VanDerWaalsContact C-N 3.32Å; L992-T994 PolarHBondContact O-N 2.93Å; L992-A995 PolarHBondContact O-N 3.4Å; L992-K996 WeakPolarHBondContact O-CB 3.25Å; L992-K996 PolarHBondContact O-N 2.87Å; L992-D1195 HydrophobicContact CD2-CB 4.45Å; L992-I1198 HydrophobicContact CD1-CB 3.86Å; L992-I1198 HydrophobicContact CD1-CD1 3.81Å; L992-I1198 HydrophobicContact CD1-CG1 4.41Å; L992-I1198 HydrophobicContact CD1-CG2 3.78Å
993A86.7Confident87.4Confident17 Ų1734.2 Ų34.214%0.1418%0.181CC..Hα-helixtrans-60.5-42.117800000112M939 R989 T990 K996 Q997M939-A993 VanDerWaalsContact O-CB 3.23Å; M939-A993 WeakPolarHBondContact O-CB 3.17Å; R989-A993 WeakPolarHBondContact O-CB 3.28Å; R989-A993 PolarHBondContact O-N 3.33Å; T990-A993 PolarHBondContact O-N 3.43Å; A993-K996 PolarHBondContact O-N 2.96Å; A993-Q997 WeakPolarHBondContact O-CG 3.33Å; A993-Q997 PolarHBondContact O-N 2.81Å
994T89.1Confident87.3Confident8 Ų835.1 Ų35.15%0.04919%0.185CC..Hα-helixtrans-65.2-45.9177-53.90000111.3K779 I783 T784 V962 T990 A991 L992 K996 Q997 V998K779-T994 HydrophobicContact CD-CG2 4.5Å; K779-T994 WeakPolarHBondContact CE-OG1 3.43Å; K779-T994 HydrophobicContact CG-CG2 4.15Å; I783-T994 HydrophobicContact CG2-CG2 3.9Å; T784-T994 HydrophobicContact CG2-CG2 4.38Å; V962-T994 HydrophobicContact CG2-CG2 3.92Å; T990-T994 WeakPolarHBondContact O-CB 3.24Å; T990-T994 PolarHBondContact O-N 3.46Å; T990-T994 PolarHBondContact O-OG1 3.31Å; A991-T994 PolarHBondContact O-N 3.44Å; L992-T994 VanDerWaalsContact C-N 3.32Å; L992-T994 PolarHBondContact O-N 2.93Å; T994-K996 VanDerWaalsContact C-N 3.31Å; T994-K996 PolarHBondContact O-N 2.92Å; T994-Q997 PolarHBondContact O-N 3.43Å; T994-V998 WeakPolarHBondContact O-CG2 3.35Å; T994-V998 PolarHBondContact O-N 3.44Å; T994-V998 VanDerWaalsContact O-N 3.17Å
995A90.1Very high87.2Confident1 Ų135 Ų351%0.00818%0.184CC..Hα-helixtrans-62-38.2178.900000112.5L982 A991 L992 V998 G999 I1000 V1003L982-A995 HydrophobicContact CD2-CB 4.04Å; A991-A995 VanDerWaalsContact O-CB 3.31Å; A991-A995 WeakPolarHBondContact O-CB 3.44Å; A991-A995 PolarHBondContact O-N 2.98Å; L992-A995 PolarHBondContact O-N 3.4Å; A995-V998 PolarHBondContact O-N 3.46Å; A995-G999 WeakPolarHBondContact O-CA 3.42Å; A995-G999 PolarHBondContact O-N 3.16Å; A995-I1000 HydrophobicContact CB-CB 4.2Å; A995-I1000 PolarHBondContact O-N 3.21Å; A995-V1003 HydrophobicContact CB-CG2 3.31Å
996K88.4Confident87.3Confident64 Ų6436.9 Ų36.928%0.27818%0.181SC..Hα-helixtrans-63.5-43.2175.7-173.3173.6-173.6157.30112.4L992 A993 T994 V998 M1193 D1195 I1198L992-K996 WeakPolarHBondContact O-CB 3.25Å; L992-K996 PolarHBondContact O-N 2.87Å; A993-K996 PolarHBondContact O-N 2.96Å; T994-K996 VanDerWaalsContact C-N 3.31Å; T994-K996 PolarHBondContact O-N 2.92Å; K996-V998 VanDerWaalsContact C-N 3.34Å; K996-V998 PolarHBondContact O-N 2.89Å; K996-M1193 WeakPolarHBondContact CE-O 3.49Å; K996-M1193 PolarHBondContact NZ-O 3.36Å; K996-D1195 IonicContact NZ-OD1 3.78Å; K996-D1195 PolarHBondContact NZ-OD1 3.48Å; K996-I1198 HydrophobicContact CB-CD1 4.01Å
997Q87.2Confident87.1Confident110 Ų11034.7 Ų34.751%0.51417%0.169SC..Hα-helixtrans-65.7-35.7178.7-70.6175.822.400112.9V962 A993 T994V962-Q997 VanDerWaalsContact CG2-OE1 3.31Å; A993-Q997 WeakPolarHBondContact O-CG 3.33Å; A993-Q997 PolarHBondContact O-N 2.81Å; T994-Q997 PolarHBondContact O-N 3.43Å
998V89.4Confident86.8Confident0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-90.7-27.3-176.6179.30000112.7I783 V962 V970 T994 A995 K996 I1000I783-V998 HydrophobicContact CG2-CG2 3.77Å; V962-V998 HydrophobicContact CG1-CG2 3.51Å; V962-V998 HydrophobicContact CG2-CG2 4.48Å; V970-V998 HydrophobicContact CB-CG1 3.7Å; V970-V998 HydrophobicContact CG1-CG1 4.16Å; V970-V998 HydrophobicContact CG2-CG1 3.36Å; T994-V998 WeakPolarHBondContact O-CG2 3.35Å; T994-V998 PolarHBondContact O-N 3.44Å; T994-V998 VanDerWaalsContact O-N 3.17Å; A995-V998 PolarHBondContact O-N 3.46Å; K996-V998 VanDerWaalsContact C-N 3.34Å; K996-V998 PolarHBondContact O-N 2.89Å; V998-I1000 HydrophobicContact CB-CG1 4.46Å; V998-I1000 HydrophobicContact CG1-CD1 4.2Å; V998-I1000 HydrophobicContact CG1-CG1 4.1Å
999G87.9Confident85.9Confident6 Ų639.1 Ų39.16%0.06219%0.19CC..THydrogen-bonded Turntrans93.331-176.900000115A995 L1190A995-G999 WeakPolarHBondContact O-CA 3.42Å; A995-G999 PolarHBondContact O-N 3.16Å; G999-L1190 VanDerWaalsContact CA-CD2 3.47Å
1000I89.9Confident85.2Confident1 Ų139.2 Ų39.21%0.00520%0.2CC..  trans-89.4124.2177.2-60.5175.2000110I783 V970 L982 A995 V998 T1002I783-I1000 HydrophobicContact CD1-CD1 3.74Å; V970-I1000 HydrophobicContact CG1-CG1 3.99Å; V970-I1000 HydrophobicContact CG2-CD1 4.33Å; V970-I1000 HydrophobicContact CG2-CG1 4.21Å; L982-I1000 HydrophobicContact CB-CD1 4.07Å; L982-I1000 HydrophobicContact CB-CG2 4.04Å; L982-I1000 HydrophobicContact CD1-CD1 4.44Å; A995-I1000 HydrophobicContact CB-CB 4.2Å; A995-I1000 PolarHBondContact O-N 3.21Å; V998-I1000 HydrophobicContact CB-CG1 4.46Å; V998-I1000 HydrophobicContact CG1-CD1 4.2Å; V998-I1000 HydrophobicContact CG1-CG1 4.1Å; I1000-T1002 WeakPolarHBondContact CG2-O 3.37Å
1001K86.2Confident84.9Confident143 Ų14341.1 Ų41.162%0.62221%0.207SC*.SBendtrans-83.6-23.7-176-61.9-176.7-179.5-1770114.8I1198 S1199K1001-I1198 CarbonylContact O-C 3.54Å; K1001-I1198 WeakPolarHBondContact O-CA 3.18Å; K1001-S1199 PolarHBondContact O-N 3.44Å; K1001-S1199 PolarHBondContact O-OG 2.86Å
1002T88.5Confident84.5Confident15 Ų1541.7 Ų41.79%0.09221%0.21CC..EExtended strand (participates in β ladder)trans-123.7122.5-176-59.30000110.6I981 L982 I1000 F1004 S1199I981-T1002 WeakPolarHBondContact CA-O 3.28Å; I981-T1002 HydrophobicContact CG1-CG2 4.37Å; I981-T1002 HydrophobicContact CG2-CG2 4.3Å; L982-T1002 PolarHBondContact N-O 3.24Å; I1000-T1002 WeakPolarHBondContact CG2-O 3.37Å; T1002-F1004 HydrophobicContact CG2-CD2 4.39Å; T1002-F1004 HydrophobicContact CG2-CE2 3.64Å; T1002-F1004 HydrophobicContact CG2-CZ 4.11Å; T1002-S1199 WeakPolarHBondContact CA-OG 3.49Å; T1002-S1199 PolarHBondContact OG1-OG 3.34Å
1003V89.6Confident84.1Confident0 Ų044.2 Ų44.20%022%0.219CC..EExtended strand (participates in β ladder)trans-129.3130.8-173.3-1770000110.2L982 A991 A995 I1198 S1199 L1200 H1201L982-V1003 HydrophobicContact CB-CG1 4.3Å; L982-V1003 HydrophobicContact CB-CG2 4.21Å; L982-V1003 HydrophobicContact CD2-CG1 4.02Å; L982-V1003 HydrophobicContact CD2-CG2 4.37Å; L982-V1003 HydrophobicContact CG-CG1 4.37Å; L982-V1003 WeakPolarHBondContact O-CA 3.25Å; A991-V1003 HydrophobicContact CB-CG1 3.74Å; A995-V1003 HydrophobicContact CB-CG2 3.31Å; V1003-I1198 HydrophobicContact CB-CG2 4.49Å; V1003-I1198 HydrophobicContact CG2-CG2 3.67Å; V1003-S1199 PolarHBondContact N-O 3.18Å; V1003-L1200 HydrophobicContact CB-CD1 4.09Å; V1003-L1200 HydrophobicContact CG1-CD1 3.86Å; V1003-H1201 PolarHBondContact O-N 3.22Å
1004F89.2Confident83.7Confident19 Ų1945.3 Ų45.38%0.08323%0.228CC..EExtended strand (participates in β ladder)trans-114.9112.4168.7-64-85000107.9I981 L982 L983 T984 T1002 V1007 H1201I981-F1004 HydrophobicContact CG2-CD2 3.57Å; I981-F1004 HydrophobicContact CG2-CE2 3.68Å; L982-F1004 PolarHBondContact O-N 3.06Å; L983-F1004 WeakPolarHBondContact CA-O 3.41Å; L983-F1004 HydrophobicContact CD1-CB 3.54Å; L983-F1004 HydrophobicContact CD1-CG 4.25Å; T984-F1004 PolarHBondContact N-O 2.87Å; T1002-F1004 HydrophobicContact CG2-CD2 4.39Å; T1002-F1004 HydrophobicContact CG2-CE2 3.64Å; T1002-F1004 HydrophobicContact CG2-CZ 4.11Å; F1004-V1007 HydrophobicContact CB-CG2 4.05Å; F1004-H1201 WeakPolarHBondContact CA-O 3.48Å; F1004-H1201 HydrophobicContact CD1-CB 3.43Å; F1004-H1201 VanDerWaalsContact CD1-CB 3.43Å; F1004-H1201 AromaticContact CD1-CG 3.98Å; F1004-H1201 HydrophobicContact CE1-CB 3.58Å; F1004-H1201 AromaticContact CE1-CD2 3.43Å; F1004-H1201 VanDerWaalsContact CE1-CD2 3.43Å; F1004-H1201 WeakPolarHBondContact CE1-CD2 3.09Å; F1004-H1201 AromaticContact CE1-CG 3.59Å; F1004-H1201 HydrophobicContact CG-CB 4.31Å; F1004-H1201 AromaticContact CZ-CD2 3.66Å
1005A86.2Confident83.3Confident0 Ų046.5 Ų46.50%023%0.233CC..EExtended strand (participates in β ladder)trans-111.4164.2-177.200000111.5T984 A991 V1007 L1200 H1201 G1203T984-A1005 HydrophobicContact CG2-CB 4.4Å; T984-A1005 CarbonylContact O-C 3.57Å; T984-A1005 WeakPolarHBondContact O-CA 3.5Å; A991-A1005 HydrophobicContact CB-CB 3.67Å; A1005-V1007 VanDerWaalsContact C-N 3.26Å; A1005-V1007 WeakPolarHBondContact O-CG2 3.39Å; A1005-V1007 PolarHBondContact O-N 2.85Å; A1005-L1200 HydrophobicContact CB-CD1 4.18Å; A1005-H1201 PolarHBondContact N-O 2.7Å; A1005-G1203 PolarHBondContact O-N 3.37Å
1006E82.6Confident82.9Confident84 Ų8446.4 Ų46.439%0.39323%0.232SC..SBendtrans57.739178.8-60.5160.9-158.600112T984 D986 S988T984-E1006 PolarHBondContact O-N 3.33Å; T984-E1006 VanDerWaalsContact O-N 3.17Å; D986-E1006 PolarHBondContact O-N 2.87Å; S988-E1006 VanDerWaalsContact CB-OE1 3.28Å; S988-E1006 WeakPolarHBondContact CB-OE1 3.38Å; S988-E1006 PolarHBondContact N-OE1 3.21Å; S988-E1006 PolarHBondContact OG-OE1 2.79Å
1007V80.6Confident82.6Confident9 Ų946.3 Ų46.36%0.05523%0.233CC..  trans-98.8123.2-176-172.80000112.2L983 T984 G985 F1004 A1005 H1011 K1012L983-V1007 HydrophobicContact CD1-CB 4.21Å; L983-V1007 HydrophobicContact CD1-CG1 4.04Å; L983-V1007 HydrophobicContact CD1-CG2 3.88Å; T984-V1007 PolarHBondContact O-N 3.49Å; G985-V1007 WeakPolarHBondContact CA-O 3.48Å; F1004-V1007 HydrophobicContact CB-CG2 4.05Å; A1005-V1007 VanDerWaalsContact C-N 3.26Å; A1005-V1007 WeakPolarHBondContact O-CG2 3.39Å; A1005-V1007 PolarHBondContact O-N 2.85Å; V1007-H1011 HydrophobicContact CG1-CB 3.5Å; V1007-K1012 HydrophobicContact CG1-CG 3.84Å
1008L76Confident82.2Confident110 Ų11043.6 Ų43.658%0.57622%0.22SC*.  trans-70.6156.3173.4-64.1172.3000112.4N1010 H1011 K1012L1008-N1010 PolarHBondContact O-N 2.7Å; L1008-H1011 HydrophobicContact CB-CB 4.44Å; L1008-H1011 WeakPolarHBondContact O-CA 3.48Å; L1008-H1011 VanDerWaalsContact O-CB 3.31Å; L1008-H1011 WeakPolarHBondContact O-CB 3.47Å; L1008-H1011 PolarHBondContact O-N 2.62Å; L1008-K1012 PolarHBondContact O-N 3.39Å
1009P68.2Low81.6Confident44 Ų4445.2 Ų45.229%0.28623%0.229SC..Hα-helixtrans-53.4-45.2-179.1-28.135.3000114.7H1011 K1012 K1013 N1044P1009-H1011 VanDerWaalsContact C-N 3.27Å; P1009-H1011 PolarHBondContact O-N 3.3Å; P1009-K1012 WeakPolarHBondContact O-CB 3.32Å; P1009-K1012 PolarHBondContact O-N 3.45Å; P1009-K1012 VanDerWaalsContact O-N 3.12Å; P1009-K1013 PolarHBondContact O-N 2.79Å; P1009-N1044 HydrophobicContact CB-CB 4.42Å; P1009-N1044 HydrophobicContact CG-CB 4.05Å
1010N70.6Confident81Confident130 Ų13046.3 Ų46.370%0.69523%0.232SC*.Hα-helixtrans-63.5-33.4176.8-73.6-25.6000112.7L1008 A1014L1008-N1010 PolarHBondContact O-N 2.7Å; N1010-A1014 PolarHBondContact O-N 3.41Å
1011H79.1Confident80Confident70 Ų7053 Ų5332%0.32426%0.261SS..Hα-helixtrans-71.5-31.5176.5-65.7173.6000111.8V1007 L1008 P1009 A1014 K1015 L1204V1007-H1011 HydrophobicContact CG1-CB 3.5Å; L1008-H1011 HydrophobicContact CB-CB 4.44Å; L1008-H1011 WeakPolarHBondContact O-CA 3.48Å; L1008-H1011 VanDerWaalsContact O-CB 3.31Å; L1008-H1011 WeakPolarHBondContact O-CB 3.47Å; L1008-H1011 PolarHBondContact O-N 2.62Å; P1009-H1011 VanDerWaalsContact C-N 3.27Å; P1009-H1011 PolarHBondContact O-N 3.3Å; H1011-A1014 PolarHBondContact O-N 2.72Å; H1011-K1015 WeakPolarHBondContact O-CB 3.33Å; H1011-K1015 PolarHBondContact O-N 2.9Å; H1011-L1204 HydrophobicContact CB-CD1 3.51Å
1012K80.3Confident78.8Confident11 Ų1149.9 Ų49.95%0.04825%0.251CS..Hα-helixtrans-59.7-49.4173.8-63.1-166.8-176.2-175.70110.9D778 L983 V1007 L1008 P1009 K1015 V1016 D1045 A1048D778-K1012 IonicContact OD1-NZ 3.14Å; D778-K1012 PolarHBondContact OD1-NZ 3.46Å; L983-K1012 HydrophobicContact CD2-CB 3.82Å; L983-K1012 HydrophobicContact CD2-CD 4.28Å; L983-K1012 HydrophobicContact CD2-CG 3.88Å; L983-K1012 HydrophobicContact CG-CD 4.38Å; L983-K1012 HydrophobicContact CG-CG 4.06Å; V1007-K1012 HydrophobicContact CG1-CG 3.84Å; L1008-K1012 PolarHBondContact O-N 3.39Å; P1009-K1012 WeakPolarHBondContact O-CB 3.32Å; P1009-K1012 PolarHBondContact O-N 3.45Å; P1009-K1012 VanDerWaalsContact O-N 3.12Å; K1012-K1015 WeakPolarHBondContact O-CB 3.41Å; K1012-K1015 PolarHBondContact O-N 2.93Å; K1012-V1016 WeakPolarHBondContact O-CG2 3.3Å; K1012-V1016 PolarHBondContact O-N 3.39Å; K1012-D1045 IonicContact NZ-OD1 3.74Å; K1012-D1045 PolarHBondContact NZ-OD1 3.44Å; K1012-A1048 HydrophobicContact CB-CB 3.94Å
1013K80.1Confident77Confident87 Ų8754.1 Ų54.138%0.37827%0.266SS..Hα-helixtrans-57.7-51.3175.3175.8179.8172.9-178.20112P1009 K1015 V1016 E1017 P1047 A1051P1009-K1013 PolarHBondContact O-N 2.79Å; K1013-K1015 PolarHBondContact O-N 3.35Å; K1013-V1016 PolarHBondContact O-N 3.19Å; K1013-V1016 VanDerWaalsContact O-N 3.15Å; K1013-E1017 WeakPolarHBondContact CE-OE1 2.76Å; K1013-E1017 PolarHBondContact O-N 3.23Å; K1013-P1047 HydrophobicContact CB-CB 4.48Å; K1013-P1047 HydrophobicContact CD-CB 4.49Å; K1013-A1051 HydrophobicContact CG-CB 3.96Å
1014A79.1Confident74.8Confident40 Ų4061.5 Ų61.533%0.33130%0.3SS..Hα-helixtrans-58-34.9179.800000112N1010 H1011 Q1018N1010-A1014 PolarHBondContact O-N 3.41Å; H1011-A1014 PolarHBondContact O-N 2.72Å; A1014-Q1018 WeakPolarHBondContact O-CB 3.3Å; A1014-Q1018 PolarHBondContact O-N 2.91Å
1015K79.3Confident72.4Confident32 Ų3266.3 Ų66.314%0.13933%0.326CS..Hα-helixtrans-69.6-43.1177.2-17159.7174.5-173.10112.9L983 H1011 K1012 K1013 E1017 Q1018 L1019L983-K1015 HydrophobicContact CD1-CG 4.47Å; H1011-K1015 WeakPolarHBondContact O-CB 3.33Å; H1011-K1015 PolarHBondContact O-N 2.9Å; K1012-K1015 WeakPolarHBondContact O-CB 3.41Å; K1012-K1015 PolarHBondContact O-N 2.93Å; K1013-K1015 PolarHBondContact O-N 3.35Å; K1015-E1017 VanDerWaalsContact C-N 3.35Å; K1015-Q1018 WeakPolarHBondContact O-CB 3.21Å; K1015-Q1018 PolarHBondContact O-N 3.09Å; K1015-L1019 HydrophobicContact CG-CD1 4.47Å; K1015-L1019 WeakPolarHBondContact O-CG 3.37Å; K1015-L1019 PolarHBondContact O-N 2.85Å
1016V83.5Confident70.3Confident0 Ų068.8 Ų68.80%034%0.341CS..Hα-helixtrans-58.5-48.9173.8174.30000109.9I776 K1012 K1013 Q1018 L1019 Q1020 V1036 A1048 A1051 A1052I776-V1016 HydrophobicContact CD1-CG2 3.93Å; K1012-V1016 WeakPolarHBondContact O-CG2 3.3Å; K1012-V1016 PolarHBondContact O-N 3.39Å; K1013-V1016 PolarHBondContact O-N 3.19Å; K1013-V1016 VanDerWaalsContact O-N 3.15Å; V1016-Q1018 VanDerWaalsContact C-N 3.32Å; V1016-Q1018 PolarHBondContact O-N 3.18Å; V1016-L1019 PolarHBondContact O-N 2.95Å; V1016-Q1020 WeakPolarHBondContact O-CG 3.39Å; V1016-Q1020 PolarHBondContact O-N 2.78Å; V1016-V1036 HydrophobicContact CG1-CG1 4.32Å; V1016-A1048 HydrophobicContact CG2-CB 4.19Å; V1016-A1051 HydrophobicContact CG1-CB 4.35Å; V1016-A1052 HydrophobicContact CG1-CB 4.07Å
1017E80.4Confident68.3Low62 Ų6267.4 Ų67.429%0.2934%0.338SS..Hα-helixtrans-62.7-36.1176.9-70.3-176.7-171.600112.7K1013 K1015 Q1020 K1021K1013-E1017 WeakPolarHBondContact CE-OE1 2.76Å; K1013-E1017 PolarHBondContact O-N 3.23Å; K1015-E1017 VanDerWaalsContact C-N 3.35Å; E1017-Q1020 PolarHBondContact O-N 2.88Å; E1017-K1021 WeakPolarHBondContact O-CB 3Å; E1017-K1021 VanDerWaalsContact O-CG 3.29Å; E1017-K1021 WeakPolarHBondContact O-CG 3.3Å; E1017-K1021 PolarHBondContact O-N 2.84Å; E1017-K1021 IonicContact OE2-NZ 3.64Å
1018Q79.3Confident66.4Low53 Ų5374.1 Ų74.125%0.24837%0.373CS..Hα-helixtrans-64.5-46175.9-173.4-170.220.100111.4A1014 K1015 V1016 Q1020 K1021 N1022A1014-Q1018 WeakPolarHBondContact O-CB 3.3Å; A1014-Q1018 PolarHBondContact O-N 2.91Å; K1015-Q1018 WeakPolarHBondContact O-CB 3.21Å; K1015-Q1018 PolarHBondContact O-N 3.09Å; V1016-Q1018 VanDerWaalsContact C-N 3.32Å; V1016-Q1018 PolarHBondContact O-N 3.18Å; Q1018-Q1020 PolarHBondContact O-N 2.99Å; Q1018-K1021 PolarHBondContact O-N 2.97Å; Q1018-K1021 VanDerWaalsContact O-N 3.16Å; Q1018-N1022 PolarHBondContact O-N 3.1Å; Q1018-N1022 VanDerWaalsContact O-N 3.07Å
1019L78Confident64.8Low34 Ų3474.4 Ų74.418%0.17837%0.374CS..Hα-helixtrans-63.2-33.4177.4-72.5170.9000111.5I776 I981 K1015 V1016 V1036I776-L1019 HydrophobicContact CD1-CD1 3.62Å; I776-L1019 HydrophobicContact CG1-CD1 4.31Å; I981-L1019 HydrophobicContact CD1-CD1 4.05Å; K1015-L1019 HydrophobicContact CG-CD1 4.47Å; K1015-L1019 WeakPolarHBondContact O-CG 3.37Å; K1015-L1019 PolarHBondContact O-N 2.85Å; V1016-L1019 PolarHBondContact O-N 2.95Å; L1019-V1036 HydrophobicContact CB-CG2 3.98Å
1020Q75.6Confident63.5Low29 Ų2979.2 Ų79.214%0.13639%0.39CS..Hα-helixtrans-69.9-44.3170.4-68.4171.8-9.800112.4V1016 E1017 Q1018 N1022 R1023 V1036 A1051 N1053V1016-Q1020 WeakPolarHBondContact O-CG 3.39Å; V1016-Q1020 PolarHBondContact O-N 2.78Å; E1017-Q1020 PolarHBondContact O-N 2.88Å; Q1018-Q1020 PolarHBondContact O-N 2.99Å; Q1020-N1022 VanDerWaalsContact C-N 3.3Å; Q1020-N1022 PolarHBondContact O-N 3.12Å; Q1020-R1023 WeakPolarHBondContact O-CB 3.22Å; Q1020-R1023 WeakPolarHBondContact O-CD 3.38Å; Q1020-R1023 WeakPolarHBondContact O-CG 3.27Å; Q1020-R1023 PolarHBondContact O-N 2.97Å; Q1020-V1036 HydrophobicContact CG-CB 4.29Å; Q1020-V1036 HydrophobicContact CG-CG2 4.01Å; Q1020-A1051 PolarHBondContact NE2-O 3.41Å; Q1020-N1053 PolarHBondContact NE2-OD1 3.45Å
1021K68.4Low62.1Low141 Ų14182.3 Ų82.361%0.61340%0.397SS*.Hα-helixtrans-67.3-25.6-177.6-78.3171.3-175.9164.90114E1017 Q1018 R1023 E1024E1017-K1021 WeakPolarHBondContact O-CB 3Å; E1017-K1021 VanDerWaalsContact O-CG 3.29Å; E1017-K1021 WeakPolarHBondContact O-CG 3.3Å; E1017-K1021 PolarHBondContact O-N 2.84Å; E1017-K1021 IonicContact OE2-NZ 3.64Å; Q1018-K1021 PolarHBondContact O-N 2.97Å; Q1018-K1021 VanDerWaalsContact O-N 3.16Å; K1021-R1023 PolarHBondContact O-N 3.2Å; K1021-E1024 PolarHBondContact O-N 3.23Å
1022N60Low60.6Low77 Ų7784.3 Ų84.341%0.41241%0.41SS..THydrogen-bonded Turntrans-57.2-5.7168.5-74.8-11.1000113.3Q1018 Q1020 E1024 I1025Q1018-N1022 PolarHBondContact O-N 3.1Å; Q1018-N1022 VanDerWaalsContact O-N 3.07Å; Q1020-N1022 VanDerWaalsContact C-N 3.3Å; Q1020-N1022 PolarHBondContact O-N 3.12Å; N1022-E1024 PolarHBondContact O-N 3.4Å; N1022-I1025 PolarHBondContact O-N 3.22Å
1023R51.3Low59.4Low105 Ų10588.5 Ų88.540%0.39643%0.43SS..Hα-helixtrans-33.8-44.8157.6-93.5168.3-176.5-1570.1114.1Q1020 K1021 I1025 T1027Q1020-R1023 WeakPolarHBondContact O-CB 3.22Å; Q1020-R1023 WeakPolarHBondContact O-CD 3.38Å; Q1020-R1023 WeakPolarHBondContact O-CG 3.27Å; Q1020-R1023 PolarHBondContact O-N 2.97Å; K1021-R1023 PolarHBondContact O-N 3.2Å; R1023-I1025 PolarHBondContact O-N 2.94Å; R1023-T1027 WeakPolarHBondContact O-CB 3.26Å; R1023-T1027 PolarHBondContact O-N 3.15Å; R1023-T1027 PolarHBondContact O-OG1 2.9Å
1024E42.5Very low58.8Low154 Ų15486.3 Ų86.372%0.7242%0.422SS*.Hα-helixtrans-69.9-37.4-170.8-73.4-175.3169.800113.5K1021 N1022 L1028K1021-E1024 PolarHBondContact O-N 3.23Å; N1022-E1024 PolarHBondContact O-N 3.4Å; E1024-L1028 WeakPolarHBondContact O-CB 3.44Å; E1024-L1028 WeakPolarHBondContact O-CD1 3.39Å
1025I40.1Very low59Low121 Ų12184.9 Ų84.962%0.62141%0.408SS*.Hα-helixtrans-85.2-40.4-173.3-60.8173.9000111.7N1022 R1023 I1029N1022-I1025 PolarHBondContact O-N 3.22Å; R1023-I1025 PolarHBondContact O-N 2.94Å; I1025-I1029 HydrophobicContact CG2-CD1 4.27Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.42Å
1026V42Very low59.4Low52 Ų5283.5 Ų83.532%0.31540%0.402SS..Hα-helixtrans-79.8-35.6-176.6-178.60000111.8L1028 I1029 F1030 L1034V1026-L1028 VanDerWaalsContact C-N 3.3Å; V1026-L1028 PolarHBondContact O-N 3.34Å; V1026-I1029 PolarHBondContact O-N 3.48Å; V1026-F1030 PolarHBondContact O-N 2.98Å; V1026-L1034 HydrophobicContact CB-CD1 4.11Å; V1026-L1034 HydrophobicContact CG1-CD1 4.39Å; V1026-L1034 HydrophobicContact CG2-CD1 4.06Å
1027T39.8Very low59.8Low54 Ų5483.5 Ų83.533%0.33140%0.402SS..Hα-helixtrans-66.4-35176.8-49.60000111.4R1023 I1029 K1031R1023-T1027 WeakPolarHBondContact O-CB 3.26Å; R1023-T1027 PolarHBondContact O-N 3.15Å; R1023-T1027 PolarHBondContact O-OG1 2.9Å; T1027-I1029 VanDerWaalsContact C-N 3.31Å; T1027-I1029 PolarHBondContact O-N 3.33Å; T1027-K1031 PolarHBondContact O-N 3.23Å
1028L41.7Very low60.4Low151 Ų15180.5 Ų80.579%0.79139%0.389SS*.Hα-helixtrans-65.5-29.6175.9-107.4154.3000113.4E1024 V1026E1024-L1028 WeakPolarHBondContact O-CB 3.44Å; E1024-L1028 WeakPolarHBondContact O-CD1 3.39Å; V1026-L1028 VanDerWaalsContact C-N 3.3Å; V1026-L1028 PolarHBondContact O-N 3.34Å
1029I41.7Very low61Low116 Ų11678 Ų7860%0.59538%0.377SS*.Hα-helixtrans-101.7-39.4-173.7-57.6171.3000112I1025 V1026 T1027I1025-I1029 HydrophobicContact CG2-CD1 4.27Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.42Å; V1026-I1029 PolarHBondContact O-N 3.48Å; T1027-I1029 VanDerWaalsContact C-N 3.31Å; T1027-I1029 PolarHBondContact O-N 3.33Å
1030F41.9Very low61.5Low145 Ų14576.4 Ų76.464%0.63637%0.368SS*.Hα-helixtrans-123.7-1-168.5-70.4-75.6000115.5V1026 L1032V1026-F1030 PolarHBondContact O-N 2.98Å; F1030-L1032 HydrophobicContact CB-CD1 4.15Å; F1030-L1032 HydrophobicContact CB-CG 4.44Å; F1030-L1032 PolarHBondContact O-N 3.48Å
1031K39.5Very low61.8Low194 Ų19476 Ų7684%0.84337%0.367SS*.  trans52.523-175.6-95-176.2178.4177.50114.2T1027T1027-K1031 PolarHBondContact O-N 3.23Å
1032L47.3Very low61.9Low112 Ų11270.3 Ų70.359%0.58635%0.348SS*.  trans-100.5110177.3-74164.9000108.9F1030 L1034F1030-L1032 HydrophobicContact CB-CD1 4.15Å; F1030-L1032 HydrophobicContact CB-CG 4.44Å; F1030-L1032 PolarHBondContact O-N 3.48Å; L1032-L1034 PolarHBondContact O-N 3.05Å
1033E56.4Low62.4Low100 Ų10071.9 Ų71.947%0.46736%0.356SS..  trans-70.3114.4174.5-66.5179.3171.700109.5R771 Q1035R771-E1033 IonicContact NH1-OE2 3.84Å; E1033-Q1035 PolarHBondContact O-N 3.5Å
1034L67.2Low63.5Low41 Ų4171.5 Ų71.522%0.21536%0.361CS..  trans-71.8113170.5-76.3156.9000108.9V1026 L1032V1026-L1034 HydrophobicContact CB-CD1 4.11Å; V1026-L1034 HydrophobicContact CG1-CD1 4.39Å; V1026-L1034 HydrophobicContact CG2-CD1 4.06Å; L1032-L1034 PolarHBondContact O-N 3.05Å
1035Q83.3Confident65.3Low10 Ų1064.2 Ų64.25%0.04733%0.328CS..  trans-112.4125.5174.6-62.4-70.3-17.500108R771 T773 T774 E1033 N1053R771-Q1035 HydrophobicContact CB-CB 4.49Å; R771-Q1035 HydrophobicContact CB-CG 3.85Å; R771-Q1035 VanDerWaalsContact O-CB 3.3Å; R771-Q1035 WeakPolarHBondContact O-CB 3.44Å; R771-Q1035 WeakPolarHBondContact O-CG 3.06Å; T773-Q1035 PolarHBondContact N-O 3.28Å; T773-Q1035 PolarHBondContact OG1-N 3.4Å; T773-Q1035 PolarHBondContact OG1-O 3.15Å; T774-Q1035 PolarHBondContact N-O 3.15Å; E1033-Q1035 PolarHBondContact O-N 3.5Å; Q1035-N1053 PolarHBondContact OE1-ND2 3.03Å
1036V88.1Confident67Low2 Ų258.8 Ų58.81%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-106.2119.9-172.5-178.50000109.5T774 I776 V1016 L1019 Q1020 N1053 V1054T774-V1036 WeakPolarHBondContact O-CA 3.33Å; I776-V1036 HydrophobicContact CD1-CG1 3.49Å; I776-V1036 VanDerWaalsContact CD1-CG1 3.49Å; I776-V1036 HydrophobicContact CG1-CG1 4.08Å; V1016-V1036 HydrophobicContact CG1-CG1 4.32Å; L1019-V1036 HydrophobicContact CB-CG2 3.98Å; Q1020-V1036 HydrophobicContact CG-CB 4.29Å; Q1020-V1036 HydrophobicContact CG-CG2 4.01Å; V1036-N1053 PolarHBondContact N-OD1 3.42Å; V1036-N1053 VanDerWaalsContact N-OD1 3.1Å; V1036-N1053 PolarHBondContact O-N 2.9Å; V1036-V1054 PolarHBondContact O-N 3.31Å
1037G91.4Very high68.7Low0 Ų058.8 Ų58.80%030%0.301CS..EExtended strand (participates in β ladder)trans-95.1141.4165.800000110.8T774 I775 I776 V1054T774-G1037 PolarHBondContact O-N 3.41Å; I775-G1037 CarbonylContact C-O 3.59Å; I775-G1037 WeakPolarHBondContact CA-O 3.42Å; I776-G1037 PolarHBondContact N-O 2.65Å; G1037-V1054 VanDerWaalsContact CA-O 3.28Å; G1037-V1054 WeakPolarHBondContact CA-O 3.14Å
1038M91.9Very high70.8Confident0 Ų056.2 Ų56.20%029%0.285CS..EExtended strand (participates in β ladder)trans-119.9133172.417868.6-17200108.8I776 D778 A1048 L1049 A1052 V1054 I1056I776-M1038 HydrophobicContact CB-SD 3.62Å; I776-M1038 HydrophobicContact CG2-CE 4.41Å; I776-M1038 HydrophobicContact CG2-SD 3.46Å; I776-M1038 WeakPolarHBondContact CG2-SD 3.43Å; I776-M1038 CarbonylContact O-C 3.56Å; I776-M1038 WeakPolarHBondContact O-CA 3.41Å; D778-M1038 HydrophobicContact CB-CE 4.11Å; M1038-A1048 HydrophobicContact CG-CB 4.46Å; M1038-L1049 HydrophobicContact CB-CD2 4.08Å; M1038-L1049 HydrophobicContact CG-CD2 3.8Å; M1038-L1049 HydrophobicContact CG-CG 4.26Å; M1038-L1049 VanDerWaalsContact O-CD2 3.27Å; M1038-L1049 WeakPolarHBondContact O-CD2 3.48Å; M1038-A1052 HydrophobicContact CB-CB 3.7Å; M1038-V1054 PolarHBondContact N-O 3.49Å; M1038-I1056 PolarHBondContact O-N 3.26Å
1039V93.4Very high72.9Confident0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-114.2127.2173.5-169.10000108.5I775 I776 F777 D778 T782 I1056 I1058 L1078 V1081I775-V1039 HydrophobicContact CG2-CG2 3.84Å; I776-V1039 PolarHBondContact O-N 3.31Å; F777-V1039 HydrophobicContact CD1-CB 3.79Å; F777-V1039 HydrophobicContact CD1-CG1 4.28Å; F777-V1039 HydrophobicContact CD1-CG2 3.92Å; F777-V1039 HydrophobicContact CE1-CB 4.09Å; F777-V1039 HydrophobicContact CE1-CG1 4.41Å; F777-V1039 HydrophobicContact CE1-CG2 3.77Å; D778-V1039 PolarHBondContact N-O 3.38Å; T782-V1039 HydrophobicContact CG2-CB 4.26Å; T782-V1039 HydrophobicContact CG2-CG1 3.76Å; V1039-I1056 VanDerWaalsContact CA-O 3.29Å; V1039-I1056 WeakPolarHBondContact CA-O 3.49Å; V1039-I1056 HydrophobicContact CG1-CB 4.45Å; V1039-I1056 HydrophobicContact CG1-CG2 4.44Å; V1039-I1056 HydrophobicContact CG2-CB 4.13Å; V1039-I1056 HydrophobicContact CG2-CD1 4.25Å; V1039-I1058 HydrophobicContact CG1-CD1 4.5Å; V1039-L1078 HydrophobicContact CG1-CD2 4.47Å; V1039-V1081 HydrophobicContact CG1-CG2 4.23Å; V1039-V1081 HydrophobicContact CG2-CG1 4.25Å; V1039-V1081 HydrophobicContact CG2-CG2 4.27Å
1040G87.4Confident74.8Confident0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-161.9165.4179.700000112.4T782 I1056 A1057 I1058T782-G1040 WeakPolarHBondContact OG1-CA 3.43Å; G1040-I1056 PolarHBondContact N-O 2.96Å; G1040-I1056 VanDerWaalsContact N-O 3.1Å; G1040-A1057 VanDerWaalsContact O-CA 3.31Å; G1040-A1057 WeakPolarHBondContact O-CA 3.43Å; G1040-I1058 PolarHBondContact O-N 3.13Å
1041D83.2Confident76.7Confident21 Ų2140.9 Ų40.911%0.11223%0.225CC..  trans-128-20.9179.962.5-55.8000112.1G781 T782 I1058 G1061 S1062G781-D1041 VanDerWaalsContact CA-OD2 3.32Å; G781-D1041 WeakPolarHBondContact CA-OD2 3.44Å; T782-D1041 PolarHBondContact N-OD1 3.13Å; T782-D1041 PolarHBondContact OG1-N 3.14Å; T782-D1041 PolarHBondContact OG1-OD1 3.24Å; D1041-I1058 HydrophobicContact CB-CB 4.32Å; D1041-G1061 CarbonylContact O-C 3.52Å; D1041-G1061 WeakPolarHBondContact O-CA 3.35Å; D1041-S1062 PolarHBondContact O-N 2.87Å
1042G68.9Low78.8Confident21 Ų2132.1 Ų32.122%0.21619%0.189CC..SBendtrans-82.8157.8-173.500000115.4N1044 D1045 S1046G1042-N1044 PolarHBondContact O-N 3.01Å; G1042-D1045 PolarHBondContact N-OD2 3Å; G1042-D1045 VanDerWaalsContact N-OD2 3.15Å; G1042-D1045 WeakPolarHBondContact O-CB 3.3Å; G1042-D1045 PolarHBondContact O-N 3.23Å; G1042-S1046 PolarHBondContact O-N 3.39Å
1043I71.7Confident80.7Confident111 Ų11128.3 Ų28.357%0.56917%0.169SC*.G310 helixtrans-55.8-35.6168.7-58.2169.3000110.3D1045 S1046 S1062I1043-D1045 PolarHBondContact O-N 3.39Å; I1043-S1046 WeakPolarHBondContact O-CB 3.33Å; I1043-S1046 PolarHBondContact O-N 3.47Å; I1043-S1046 PolarHBondContact O-OG 2.96Å; I1043-S1062 WeakPolarHBondContact CA-OG 3.39Å; I1043-S1062 WeakPolarHBondContact CG1-OG 3.4Å; I1043-S1062 PolarHBondContact N-OG 2.97Å
1044N73.4Confident82.3Confident96 Ų9623.6 Ų23.651%0.51315%0.147SC..G310 helixtrans-64.9-20.7178.2-66.5-32.8000113.5P1009 G1042P1009-N1044 HydrophobicContact CB-CB 4.42Å; P1009-N1044 HydrophobicContact CG-CB 4.05Å; G1042-N1044 PolarHBondContact O-N 3.01Å
1045D81Confident83.4Confident2 Ų221.6 Ų21.61%0.01114%0.136CC..G310 helixtrans-95.1-19.7-177.4-56.2-44.7000112.2K1012 G1042 I1043 P1047 A1048 L1049K1012-D1045 IonicContact NZ-OD1 3.74Å; K1012-D1045 PolarHBondContact NZ-OD1 3.44Å; G1042-D1045 PolarHBondContact N-OD2 3Å; G1042-D1045 VanDerWaalsContact N-OD2 3.15Å; G1042-D1045 WeakPolarHBondContact O-CB 3.3Å; G1042-D1045 PolarHBondContact O-N 3.23Å; I1043-D1045 PolarHBondContact O-N 3.39Å; D1045-P1047 VanDerWaalsContact C-CD 3.48Å; D1045-P1047 VanDerWaalsContact C-N 3.34Å; D1045-A1048 CarbonylContact O-C 3.58Å; D1045-A1048 WeakPolarHBondContact O-CA 3.08Å; D1045-A1048 WeakPolarHBondContact O-CB 3.19Å; D1045-A1048 PolarHBondContact O-N 3.36Å; D1045-L1049 HydrophobicContact CB-CD1 4.18Å; D1045-L1049 HydrophobicContact CB-CG 4.34Å; D1045-L1049 WeakPolarHBondContact O-CG 3.32Å; D1045-L1049 PolarHBondContact O-N 3.02Å
1046S75.6Confident83.9Confident6 Ų621.1 Ų21.14%0.04213%0.134CC..Hα-helixtrans-48.6-46.1179.7-49.60000113.4G1042 I1043 A1048 L1049 A1050 V1064 A1065G1042-S1046 PolarHBondContact O-N 3.39Å; I1043-S1046 WeakPolarHBondContact O-CB 3.33Å; I1043-S1046 PolarHBondContact O-N 3.47Å; I1043-S1046 PolarHBondContact O-OG 2.96Å; S1046-A1048 VanDerWaalsContact C-N 3.31Å; S1046-A1048 PolarHBondContact O-N 2.89Å; S1046-L1049 PolarHBondContact O-N 2.91Å; S1046-A1050 WeakPolarHBondContact O-CB 3.21Å; S1046-A1050 PolarHBondContact O-N 3.34Å; S1046-V1064 WeakPolarHBondContact OG-CG1 3.41Å; S1046-A1065 WeakPolarHBondContact OG-CA 3.36Å; S1046-A1065 PolarHBondContact OG-N 3.09Å
1047P78Confident83.9Confident52 Ų5221 Ų2134%0.33813%0.134SC..Hα-helixtrans-65.2-31.8176.5-20.734.2000113.8K1013 D1045 A1051K1013-P1047 HydrophobicContact CB-CB 4.48Å; K1013-P1047 HydrophobicContact CD-CB 4.49Å; D1045-P1047 VanDerWaalsContact C-CD 3.48Å; D1045-P1047 VanDerWaalsContact C-N 3.34Å; P1047-A1051 WeakPolarHBondContact O-CB 3.34Å; P1047-A1051 PolarHBondContact O-N 3.4Å
1048A83.2Confident83.6Confident0 Ų021.1 Ų21.10%013%0.134CC..Hα-helixtrans-79.8-37.6178.200000112K1012 V1016 M1038 D1045 S1046 A1051 A1052K1012-A1048 HydrophobicContact CB-CB 3.94Å; V1016-A1048 HydrophobicContact CG2-CB 4.19Å; M1038-A1048 HydrophobicContact CG-CB 4.46Å; D1045-A1048 CarbonylContact O-C 3.58Å; D1045-A1048 WeakPolarHBondContact O-CA 3.08Å; D1045-A1048 WeakPolarHBondContact O-CB 3.19Å; D1045-A1048 PolarHBondContact O-N 3.36Å; S1046-A1048 VanDerWaalsContact C-N 3.31Å; S1046-A1048 PolarHBondContact O-N 2.89Å; A1048-A1051 PolarHBondContact O-N 3.14Å; A1048-A1052 PolarHBondContact O-N 3.35Å
1049L85.5Confident82.5Confident0 Ų022.9 Ų22.90%015%0.149CC..Hα-helixtrans-61.1-45.9173.7-74.2170000111.2M1038 D1045 S1046 A1051 A1052 I1056 A1065M1038-L1049 HydrophobicContact CB-CD2 4.08Å; M1038-L1049 HydrophobicContact CG-CD2 3.8Å; M1038-L1049 HydrophobicContact CG-CG 4.26Å; M1038-L1049 VanDerWaalsContact O-CD2 3.27Å; M1038-L1049 WeakPolarHBondContact O-CD2 3.48Å; D1045-L1049 HydrophobicContact CB-CD1 4.18Å; D1045-L1049 HydrophobicContact CB-CG 4.34Å; D1045-L1049 WeakPolarHBondContact O-CG 3.32Å; D1045-L1049 PolarHBondContact O-N 3.02Å; S1046-L1049 PolarHBondContact O-N 2.91Å; L1049-A1051 VanDerWaalsContact C-N 3.3Å; L1049-A1051 PolarHBondContact O-N 3.37Å; L1049-A1052 PolarHBondContact O-N 3.42Å; L1049-I1056 WeakPolarHBondContact CD2-O 3.43Å; L1049-A1065 HydrophobicContact CD1-CB 3.99Å
1050A82.2Confident81.3Confident67 Ų6726 Ų2655%0.55417%0.171SC*.Hα-helixtrans-67.6-29.5177.500000113.1S1046S1046-A1050 WeakPolarHBondContact O-CB 3.21Å; S1046-A1050 PolarHBondContact O-N 3.34Å
1051A81Confident80.1Confident23 Ų2326.6 Ų26.619%0.1918%0.176CC..Hα-helixtrans-81.2-23.6177.600000113.3K1013 V1016 Q1020 P1047 A1048 L1049K1013-A1051 HydrophobicContact CG-CB 3.96Å; V1016-A1051 HydrophobicContact CG1-CB 4.35Å; Q1020-A1051 PolarHBondContact NE2-O 3.41Å; P1047-A1051 WeakPolarHBondContact O-CB 3.34Å; P1047-A1051 PolarHBondContact O-N 3.4Å; A1048-A1051 PolarHBondContact O-N 3.14Å; L1049-A1051 VanDerWaalsContact C-N 3.3Å; L1049-A1051 PolarHBondContact O-N 3.37Å
1052A85.7Confident79.3Confident11 Ų1126.9 Ų26.99%0.09118%0.18CC..SBendtrans-65.3157.6178.600000111.9V1016 M1038 A1048 L1049 V1054V1016-A1052 HydrophobicContact CG1-CB 4.07Å; M1038-A1052 HydrophobicContact CB-CB 3.7Å; A1048-A1052 PolarHBondContact O-N 3.35Å; L1049-A1052 PolarHBondContact O-N 3.42Å; A1052-V1054 PolarHBondContact O-N 3.45Å
1053N86.3Confident79.3Confident32 Ų3230.2 Ų30.217%0.17119%0.193CC..SBendtrans-68.2-32.5174.1-62.7107000110.9L768 Q1020 Q1035 V1036L768-N1053 WeakPolarHBondContact CD1-O 3.29Å; Q1020-N1053 PolarHBondContact NE2-OD1 3.45Å; Q1035-N1053 PolarHBondContact OE1-ND2 3.03Å; V1036-N1053 PolarHBondContact N-OD1 3.42Å; V1036-N1053 VanDerWaalsContact N-OD1 3.1Å; V1036-N1053 PolarHBondContact O-N 2.9Å
1054V90.5Very high79.2Confident0 Ų028.5 Ų28.50%019%0.187CC..EExtended strand (participates in β ladder)trans-138.6109.3171.2-177.40000107.9L768 I772 V1036 G1037 M1038 A1052 I1056 I1071L768-V1054 HydrophobicContact CB-CG2 3.53Å; I772-V1054 HydrophobicContact CD1-CB 3.88Å; I772-V1054 HydrophobicContact CD1-CG1 4.24Å; I772-V1054 HydrophobicContact CD1-CG2 4.01Å; I772-V1054 HydrophobicContact CG1-CG2 4.27Å; V1036-V1054 PolarHBondContact O-N 3.31Å; G1037-V1054 VanDerWaalsContact CA-O 3.28Å; G1037-V1054 WeakPolarHBondContact CA-O 3.14Å; M1038-V1054 PolarHBondContact N-O 3.49Å; A1052-V1054 PolarHBondContact O-N 3.45Å; V1054-I1056 HydrophobicContact CG1-CG1 4.13Å; V1054-I1071 HydrophobicContact CG1-CD1 3.69Å; V1054-I1071 HydrophobicContact CG1-CG1 4.04Å
1055G90.3Very high79.1Confident0 Ų023.9 Ų23.90%016%0.163CC..EExtended strand (participates in β ladder)trans-84.7132169.100000110.3S1070 I1071G1055-S1070 PolarHBondContact N-OG 3.32Å; G1055-S1070 WeakPolarHBondContact O-CA 3.36Å; G1055-S1070 PolarHBondContact O-N 3.34Å; G1055-I1071 PolarHBondContact O-N 3.29Å
1056I92.5Very high78.8Confident0 Ų024.5 Ų24.50%017%0.166CC..EExtended strand (participates in β ladder)trans-119.5112.7178.1-51.2-178.4000108.2M1038 V1039 G1040 L1049 V1054 I1071 L1073 V1081M1038-I1056 PolarHBondContact O-N 3.26Å; V1039-I1056 VanDerWaalsContact CA-O 3.29Å; V1039-I1056 WeakPolarHBondContact CA-O 3.49Å; V1039-I1056 HydrophobicContact CG1-CB 4.45Å; V1039-I1056 HydrophobicContact CG1-CG2 4.44Å; V1039-I1056 HydrophobicContact CG2-CB 4.13Å; V1039-I1056 HydrophobicContact CG2-CD1 4.25Å; G1040-I1056 PolarHBondContact N-O 2.96Å; G1040-I1056 VanDerWaalsContact N-O 3.1Å; L1049-I1056 WeakPolarHBondContact CD2-O 3.43Å; V1054-I1056 HydrophobicContact CG1-CG1 4.13Å; I1056-I1071 CarbonylContact C-O 3.55Å; I1056-I1071 VanDerWaalsContact CA-O 3.27Å; I1056-I1071 WeakPolarHBondContact CA-O 3.34Å; I1056-I1071 HydrophobicContact CG1-CB 4.22Å; I1056-I1071 HydrophobicContact CG1-CD1 4.5Å; I1056-I1071 HydrophobicContact CG2-CB 4.39Å; I1056-I1071 HydrophobicContact CG2-CG2 4.34Å; I1056-L1073 HydrophobicContact CG2-CD1 3.91Å; I1056-L1073 HydrophobicContact CG2-CD2 4.21Å; I1056-L1073 HydrophobicContact CG2-CG 3.84Å; I1056-V1081 HydrophobicContact CD1-CG1 3.98Å; I1056-V1081 HydrophobicContact CG2-CG2 4.45Å
1057A88.5Confident78.6Confident0 Ų028.5 Ų28.50%018%0.184CC..EExtended strand (participates in β ladder)trans-97.9148174.700000111.4G1040 A1069 I1071 V1072 L1073G1040-A1057 VanDerWaalsContact O-CA 3.31Å; G1040-A1057 WeakPolarHBondContact O-CA 3.43Å; A1057-A1069 HydrophobicContact CB-CB 3.39Å; A1057-I1071 PolarHBondContact N-O 3.49Å; A1057-V1072 CarbonylContact O-C 3.59Å; A1057-V1072 WeakPolarHBondContact O-CA 3.11Å; A1057-L1073 PolarHBondContact O-N 3.29Å
1058I84.6Confident78.3Confident1 Ų127.9 Ų27.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-95.4137.2167.8-58.2171.5000107.6T782 V1039 G1040 D1041 S1060 G1061 N1076 L1078T782-I1058 HydrophobicContact CG2-CD1 4.03Å; V1039-I1058 HydrophobicContact CG1-CD1 4.5Å; G1040-I1058 PolarHBondContact O-N 3.13Å; D1041-I1058 HydrophobicContact CB-CB 4.32Å; I1058-S1060 PolarHBondContact O-N 3.27Å; I1058-G1061 WeakPolarHBondContact O-CA 3.49Å; I1058-G1061 PolarHBondContact O-N 3.43Å; I1058-N1076 HydrophobicContact CG2-CB 4.36Å; I1058-N1076 WeakPolarHBondContact CG2-OD1 3.39Å; I1058-L1078 HydrophobicContact CD1-CD2 4.29Å
1059A68.9Low78.3Confident38 Ų3828 Ų2831%0.31418%0.182SC..THydrogen-bonded Turntrans-67.8-17.1-171.800000114.8G1061 L1073 I1074A1059-G1061 PolarHBondContact O-N 3.2Å; A1059-L1073 WeakPolarHBondContact CB-O 3.38Å; A1059-L1073 PolarHBondContact N-O 2.94Å; A1059-I1074 WeakPolarHBondContact CB-O 3.42Å
1060S68.6Low78.2Confident66 Ų6629.3 Ų29.346%0.46219%0.191SC..THydrogen-bonded Turntrans-70.6-9.2165.661.80000113.7I1058 N1076I1058-S1060 PolarHBondContact O-N 3.27Å; S1060-N1076 WeakPolarHBondContact CB-ND2 3.29Å; S1060-N1076 VanDerWaalsContact CB-OD1 3.24Å; S1060-N1076 WeakPolarHBondContact CB-OD1 3.16Å; S1060-N1076 PolarHBondContact OG-ND2 3.37Å; S1060-N1076 PolarHBondContact OG-OD1 2.97Å
1061G63Low78.5Confident11 Ų1126.1 Ų26.111%0.11317%0.165CC..SBendtrans-71.3169.9178.300000113D1041 I1058 A1059D1041-G1061 CarbonylContact O-C 3.52Å; D1041-G1061 WeakPolarHBondContact O-CA 3.35Å; I1058-G1061 WeakPolarHBondContact O-CA 3.49Å; I1058-G1061 PolarHBondContact O-N 3.43Å; A1059-G1061 PolarHBondContact O-N 3.2Å
1062S65.5Low78.8Confident27 Ų2725.2 Ų25.219%0.18916%0.157CC..  trans-63.4149.1177.965.50000112.1D1041 I1043 V1064 A1065 I1066D1041-S1062 PolarHBondContact O-N 2.87Å; I1043-S1062 WeakPolarHBondContact CA-OG 3.39Å; I1043-S1062 WeakPolarHBondContact CG1-OG 3.4Å; I1043-S1062 PolarHBondContact N-OG 2.97Å; S1062-V1064 PolarHBondContact O-N 2.7Å; S1062-V1064 VanDerWaalsContact O-N 3.09Å; S1062-A1065 WeakPolarHBondContact O-CA 3.16Å; S1062-A1065 WeakPolarHBondContact O-CB 3.43Å; S1062-A1065 PolarHBondContact O-N 3.25Å; S1062-A1065 PolarHBondContact OG-N 3.03Å; S1062-I1066 PolarHBondContact O-N 3.45Å; S1062-I1066 VanDerWaalsContact O-N 3.07Å
1063D69.3Low79Confident91 Ų9124.7 Ų24.749%0.48715%0.152SC..Hα-helixtrans-51.9-36.1174.7-61.9-27.9000111.8A1065 I1066 E1067D1063-A1065 VanDerWaalsContact C-N 3.33Å; D1063-A1065 PolarHBondContact O-N 2.83Å; D1063-I1066 PolarHBondContact O-N 3.14Å; D1063-E1067 WeakPolarHBondContact O-CB 3.42Å; D1063-E1067 WeakPolarHBondContact O-CG 3.36Å; D1063-E1067 PolarHBondContact O-N 3.49Å
1064V69.8Low78.8Confident75 Ų7524.5 Ų24.546%0.45515%0.151SC..Hα-helixtrans-62.6-38.9176.7-168.70000111.8S1046 S1062 S1068S1046-V1064 WeakPolarHBondContact OG-CG1 3.41Å; S1062-V1064 PolarHBondContact O-N 2.7Å; S1062-V1064 VanDerWaalsContact O-N 3.09Å; V1064-S1068 VanDerWaalsContact O-CB 3.25Å; V1064-S1068 WeakPolarHBondContact O-CB 3.38Å; V1064-S1068 PolarHBondContact O-N 3.49Å; V1064-S1068 PolarHBondContact O-OG 2.98Å
1065A71.6Confident78.2Confident0 Ų026 Ų260%016%0.158CC..Hα-helixtrans-71-42.1177.400000111.2S1046 L1049 S1062 D1063 S1068 A1069S1046-A1065 WeakPolarHBondContact OG-CA 3.36Å; S1046-A1065 PolarHBondContact OG-N 3.09Å; L1049-A1065 HydrophobicContact CD1-CB 3.99Å; S1062-A1065 WeakPolarHBondContact O-CA 3.16Å; S1062-A1065 WeakPolarHBondContact O-CB 3.43Å; S1062-A1065 PolarHBondContact O-N 3.25Å; S1062-A1065 PolarHBondContact OG-N 3.03Å; D1063-A1065 VanDerWaalsContact C-N 3.33Å; D1063-A1065 PolarHBondContact O-N 2.83Å; A1065-S1068 PolarHBondContact O-N 3.49Å; A1065-A1069 VanDerWaalsContact O-CB 3.3Å; A1065-A1069 WeakPolarHBondContact O-CB 3.25Å; A1065-A1069 PolarHBondContact O-N 2.77Å
1066I74.6Confident77.8Confident14 Ų1429.8 Ų29.87%0.07218%0.178CC..Hα-helixtrans-61.2-46.4176.1-64.9173.7000110.6L634 K761 S1062 D1063 A1069 V1072L634-I1066 HydrophobicContact CD1-CG2 4.02Å; K761-I1066 VanDerWaalsContact CE-O 3.23Å; K761-I1066 WeakPolarHBondContact CE-O 3.39Å; K761-I1066 PolarHBondContact NZ-O 3.32Å; S1062-I1066 PolarHBondContact O-N 3.45Å; S1062-I1066 VanDerWaalsContact O-N 3.07Å; D1063-I1066 PolarHBondContact O-N 3.14Å; I1066-A1069 PolarHBondContact O-N 2.59Å; I1066-V1072 HydrophobicContact CG1-CG1 4.41Å; I1066-V1072 HydrophobicContact CG2-CG1 4.1Å; I1066-V1072 HydrophobicContact CG2-CG2 4.02Å
1067E70.3Confident77.5Confident90 Ų9031.5 Ų31.542%0.42119%0.187SC..Hα-helixtrans-63.4-41.3176.7-77.2-62.4153.600112K761 D1063 A1069K761-E1067 VanDerWaalsContact NZ-C 3.33Å; K761-E1067 PolarHBondContact NZ-O 2.71Å; D1063-E1067 WeakPolarHBondContact O-CB 3.42Å; D1063-E1067 WeakPolarHBondContact O-CG 3.36Å; D1063-E1067 PolarHBondContact O-N 3.49Å; E1067-A1069 PolarHBondContact O-N 3.5Å
1068S73.1Confident77.5Confident39 Ų3931.6 Ų31.627%0.27319%0.187SC..Hα-helixtrans-73.4-25.8-179-600000114.2V1064 A1065V1064-S1068 VanDerWaalsContact O-CB 3.25Å; V1064-S1068 WeakPolarHBondContact O-CB 3.38Å; V1064-S1068 PolarHBondContact O-N 3.49Å; V1064-S1068 PolarHBondContact O-OG 2.98Å; A1065-S1068 PolarHBondContact O-N 3.49Å
1069A82.1Confident77.8Confident3 Ų331.8 Ų31.83%0.02519%0.188CC..  trans-78.9152.2-17600000113.4K761 A1057 A1065 I1066 E1067 V1072K761-A1069 WeakPolarHBondContact CD-O 3.4Å; K761-A1069 WeakPolarHBondContact CE-O 3.42Å; K761-A1069 PolarHBondContact NZ-O 2.92Å; A1057-A1069 HydrophobicContact CB-CB 3.39Å; A1065-A1069 VanDerWaalsContact O-CB 3.3Å; A1065-A1069 WeakPolarHBondContact O-CB 3.25Å; A1065-A1069 PolarHBondContact O-N 2.77Å; I1066-A1069 PolarHBondContact O-N 2.59Å; E1067-A1069 PolarHBondContact O-N 3.5Å; A1069-V1072 HydrophobicContact CB-CG2 4.49Å
1070S84.3Confident78.9Confident27 Ų2730 Ų3019%0.18917%0.173CC..SBendtrans-89.6-26.9176.1-41.30000112.8K761 G1055K761-S1070 WeakPolarHBondContact CB-O 3.37Å; K761-S1070 PolarHBondContact N-O 2.77Å; G1055-S1070 PolarHBondContact N-OG 3.32Å; G1055-S1070 WeakPolarHBondContact O-CA 3.36Å; G1055-S1070 PolarHBondContact O-N 3.34Å
1071I89Confident80Confident0 Ų026.8 Ų26.80%015%0.151CC..EExtended strand (participates in β ladder)trans-127.3136.7174.4-57.5179.1000107.5I758 L759 I760 P765 A769 V1054 G1055 I1056 A1057 L1073 A1084I758-I1071 HydrophobicContact CG2-CG2 4Å; L759-I1071 CarbonylContact O-C 3.52Å; L759-I1071 VanDerWaalsContact O-CA 3.26Å; L759-I1071 WeakPolarHBondContact O-CA 3.42Å; I760-I1071 HydrophobicContact CG1-CD1 4.5Å; I760-I1071 HydrophobicContact CG1-CG1 4.26Å; I760-I1071 HydrophobicContact CG1-CG2 4.32Å; I760-I1071 HydrophobicContact CG2-CG1 4.25Å; P765-I1071 HydrophobicContact CB-CG1 4.46Å; A769-I1071 HydrophobicContact CB-CD1 4.15Å; V1054-I1071 HydrophobicContact CG1-CD1 3.69Å; V1054-I1071 HydrophobicContact CG1-CG1 4.04Å; G1055-I1071 PolarHBondContact O-N 3.29Å; I1056-I1071 CarbonylContact C-O 3.55Å; I1056-I1071 VanDerWaalsContact CA-O 3.27Å; I1056-I1071 WeakPolarHBondContact CA-O 3.34Å; I1056-I1071 HydrophobicContact CG1-CB 4.22Å; I1056-I1071 HydrophobicContact CG1-CD1 4.5Å; I1056-I1071 HydrophobicContact CG2-CB 4.39Å; I1056-I1071 HydrophobicContact CG2-CG2 4.34Å; A1057-I1071 PolarHBondContact N-O 3.49Å; I1071-L1073 HydrophobicContact CG2-CD2 4.06Å; I1071-A1084 HydrophobicContact CG2-CB 4.44Å
1072V87.2Confident81.4Confident4 Ų426.6 Ų26.62%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-123.7124.6178.4-176.60000108.3L634 L759 A1057 I1066 A1069L634-V1072 HydrophobicContact CD1-CG2 4.15Å; L759-V1072 HydrophobicContact CB-CB 4.24Å; L759-V1072 PolarHBondContact N-O 3.4Å; L759-V1072 PolarHBondContact O-N 3.13Å; A1057-V1072 CarbonylContact O-C 3.59Å; A1057-V1072 WeakPolarHBondContact O-CA 3.11Å; I1066-V1072 HydrophobicContact CG1-CG1 4.41Å; I1066-V1072 HydrophobicContact CG2-CG1 4.1Å; I1066-V1072 HydrophobicContact CG2-CG2 4.02Å; A1069-V1072 HydrophobicContact CB-CG2 4.49Å
1073L89.3Confident82.7Confident0 Ų025.3 Ų25.30%014%0.139CC..EExtended strand (participates in β ladder)trans-94.3117.7176.8-51.3-176.1000108.3I758 I1056 A1057 A1059 I1071 K1075 D1080 V1081I758-L1073 HydrophobicContact CG1-CD2 4.32Å; I758-L1073 HydrophobicContact CG2-CD2 4.09Å; I1056-L1073 HydrophobicContact CG2-CD1 3.91Å; I1056-L1073 HydrophobicContact CG2-CD2 4.21Å; I1056-L1073 HydrophobicContact CG2-CG 3.84Å; A1057-L1073 PolarHBondContact O-N 3.29Å; A1059-L1073 WeakPolarHBondContact CB-O 3.38Å; A1059-L1073 PolarHBondContact N-O 2.94Å; I1071-L1073 HydrophobicContact CG2-CD2 4.06Å; L1073-K1075 VanDerWaalsContact C-N 3.3Å; L1073-K1075 PolarHBondContact O-N 3.25Å; L1073-D1080 HydrophobicContact CD1-CB 4Å; L1073-D1080 HydrophobicContact CD2-CB 3.97Å; L1073-D1080 HydrophobicContact CG-CB 4.37Å; L1073-V1081 HydrophobicContact CD1-CG2 3.55Å
1074I81.6Confident83.8Confident29 Ų2921 Ų2115%0.14912%0.116CC..SBendtrans-69.3-33.5-177.8-55.7-178.8000110.9I589 I631 G757 L759 A1059I589-I1074 HydrophobicContact CG2-CG2 4.43Å; I589-I1074 WeakPolarHBondContact O-CG2 3.46Å; I631-I1074 HydrophobicContact CD1-CD1 4.18Å; G757-I1074 PolarHBondContact O-N 2.82Å; L759-I1074 HydrophobicContact CD1-CD1 3.83Å; L759-I1074 HydrophobicContact CD1-CG1 3.78Å; L759-I1074 HydrophobicContact CD2-CD1 4.13Å; L759-I1074 HydrophobicContact CG-CD1 3.86Å; L759-I1074 HydrophobicContact CG-CG1 3.93Å; A1059-I1074 WeakPolarHBondContact CB-O 3.42Å
1075K78.7Confident84.9Confident32 Ų3217.6 Ų17.614%0.13910%0.095CC..SBendtrans-91.5155.2177.1-57.1179.7-167.3-102.80110.8T590 G591 L1073 D1077T590-K1075 WeakPolarHBondContact O-CD 3.46Å; T590-K1075 WeakPolarHBondContact O-CE 3.43Å; T590-K1075 WeakPolarHBondContact O-CG 3.49Å; T590-K1075 PolarHBondContact O-NZ 3.5Å; G591-K1075 PolarHBondContact O-NZ 2.96Å; L1073-K1075 VanDerWaalsContact C-N 3.3Å; L1073-K1075 PolarHBondContact O-N 3.25Å; K1075-D1077 HydrophobicContact CB-CB 4.23Å; K1075-D1077 PolarHBondContact O-N 3.13Å; K1075-D1077 VanDerWaalsContact O-N 3.15Å
1076N81Confident85.9Confident79 Ų7920.2 Ų20.242%0.42211%0.107SC..SBendtrans-80.721.6172-70.8-2.7000113.9K963 I1058 S1060K963-N1076 PolarHBondContact NZ-O 3.46Å; I1058-N1076 HydrophobicContact CG2-CB 4.36Å; I1058-N1076 WeakPolarHBondContact CG2-OD1 3.39Å; S1060-N1076 WeakPolarHBondContact CB-ND2 3.29Å; S1060-N1076 VanDerWaalsContact CB-OD1 3.24Å; S1060-N1076 WeakPolarHBondContact CB-OD1 3.16Å; S1060-N1076 PolarHBondContact OG-ND2 3.37Å; S1060-N1076 PolarHBondContact OG-OD1 2.97Å
1077D85.9Confident86.8Confident35 Ų3519.6 Ų19.619%0.18710%0.104CC..  trans-95.5118.3-176.6174.313.8000110.9K1075 L1079 D1080 K1172K1075-D1077 HydrophobicContact CB-CB 4.23Å; K1075-D1077 PolarHBondContact O-N 3.13Å; K1075-D1077 VanDerWaalsContact O-N 3.15Å; D1077-L1079 PolarHBondContact O-N 3.15Å; D1077-L1079 VanDerWaalsContact OD1-CB 3.26Å; D1077-L1079 WeakPolarHBondContact OD1-CB 3.4Å; D1077-L1079 WeakPolarHBondContact OD1-CG 3.45Å; D1077-L1079 PolarHBondContact OD1-N 2.93Å; D1077-D1080 WeakPolarHBondContact O-CB 3.24Å; D1077-D1080 PolarHBondContact O-N 2.91Å; D1077-K1172 IonicContact OD2-NZ 2.89Å; D1077-K1172 PolarHBondContact OD2-NZ 3.41Å
1078L89.6Confident87.8Confident2 Ų215.3 Ų15.31%0.018%0.084CC..THydrogen-bonded Turntrans-69.1-16.5179-77.9172000114.1F777 T782 I783 K963 E965 S966 A969 V1039 I1058 D1080 V1081F777-L1078 HydrophobicContact CD1-CD2 4.46Å; F777-L1078 HydrophobicContact CE1-CD2 4.14Å; T782-L1078 HydrophobicContact CG2-CD2 4.13Å; T782-L1078 WeakPolarHBondContact O-CD1 3.36Å; I783-L1078 HydrophobicContact CG1-CD1 4.3Å; K963-L1078 HydrophobicContact CD-CD1 4.49Å; E965-L1078 HydrophobicContact CG-CB 4.27Å; S966-L1078 VanDerWaalsContact OG-CD1 3.22Å; S966-L1078 WeakPolarHBondContact OG-CD1 3.2Å; A969-L1078 HydrophobicContact CB-CB 3.96Å; V1039-L1078 HydrophobicContact CG1-CD2 4.47Å; I1058-L1078 HydrophobicContact CD1-CD2 4.29Å; L1078-D1080 PolarHBondContact O-N 3.34Å; L1078-V1081 HydrophobicContact CD2-CG2 4.27Å; L1078-V1081 WeakPolarHBondContact O-CB 3.29Å; L1078-V1081 PolarHBondContact O-N 3.28Å; L1078-V1081 VanDerWaalsContact O-N 3.16Å
1079L90.7Very high88.6Confident5 Ų514.9 Ų14.93%0.0268%0.083CC..Hα-helixtrans-65.6-22.2173.6-60.6174.5000111.9E965 L968 A969 D1077 V1081 V1082 A1083 Q1175 L1178E965-L1079 HydrophobicContact CB-CD1 4.3Å; E965-L1079 HydrophobicContact CB-CG 4.1Å; L968-L1079 HydrophobicContact CB-CD2 4.41Å; L968-L1079 HydrophobicContact CD2-CD1 4.49Å; L968-L1079 HydrophobicContact CD2-CD2 4.13Å; L968-L1079 HydrophobicContact CG-CD2 4.13Å; A969-L1079 HydrophobicContact CB-CD2 4.15Å; D1077-L1079 PolarHBondContact O-N 3.15Å; D1077-L1079 VanDerWaalsContact OD1-CB 3.26Å; D1077-L1079 WeakPolarHBondContact OD1-CB 3.4Å; D1077-L1079 WeakPolarHBondContact OD1-CG 3.45Å; D1077-L1079 PolarHBondContact OD1-N 2.93Å; L1079-V1081 PolarHBondContact O-N 3.42Å; L1079-V1082 WeakPolarHBondContact O-CB 3.1Å; L1079-V1082 PolarHBondContact O-N 3.46Å; L1079-V1082 VanDerWaalsContact O-N 3.08Å; L1079-A1083 PolarHBondContact O-N 3.21Å; L1079-Q1175 HydrophobicContact CD1-CB 4Å; L1079-Q1175 HydrophobicContact CD1-CG 4.38Å; L1079-L1178 HydrophobicContact CD2-CD1 3.96Å
1080D91.1Very high89.1Confident0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-65.8-25.5174.5-78.4-39.9000112.9I758 L1073 D1077 L1078 V1082 A1083 A1084 K1172I758-D1080 HydrophobicContact CD1-CB 4.4Å; I758-D1080 HydrophobicContact CG1-CB 4.16Å; L1073-D1080 HydrophobicContact CD1-CB 4Å; L1073-D1080 HydrophobicContact CD2-CB 3.97Å; L1073-D1080 HydrophobicContact CG-CB 4.37Å; D1077-D1080 WeakPolarHBondContact O-CB 3.24Å; D1077-D1080 PolarHBondContact O-N 2.91Å; L1078-D1080 PolarHBondContact O-N 3.34Å; D1080-V1082 VanDerWaalsContact C-N 3.34Å; D1080-A1083 PolarHBondContact O-N 2.98Å; D1080-A1084 VanDerWaalsContact O-CB 3.27Å; D1080-A1084 WeakPolarHBondContact O-CB 3.05Å; D1080-A1084 PolarHBondContact O-N 2.89Å; D1080-K1172 VanDerWaalsContact OD1-CD 3.31Å; D1080-K1172 WeakPolarHBondContact OD1-CD 3.43Å; D1080-K1172 WeakPolarHBondContact OD1-CE 3.31Å; D1080-K1172 IonicContact OD1-NZ 3.37Å; D1080-K1172 PolarHBondContact OD1-NZ 3.41Å; D1080-K1172 IonicContact OD2-NZ 2.73Å; D1080-K1172 PolarHBondContact OD2-NZ 3.33Å; D1080-K1172 VanDerWaalsContact OD2-NZ 3.08Å
1081V92.5Very high89.4Confident0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-62-44.1169.8-178.80000110.4I775 V1039 I1056 L1073 L1078 L1079 A1084 I1085I775-V1081 HydrophobicContact CD1-CG1 4.35Å; V1039-V1081 HydrophobicContact CG1-CG2 4.23Å; V1039-V1081 HydrophobicContact CG2-CG1 4.25Å; V1039-V1081 HydrophobicContact CG2-CG2 4.27Å; I1056-V1081 HydrophobicContact CD1-CG1 3.98Å; I1056-V1081 HydrophobicContact CG2-CG2 4.45Å; L1073-V1081 HydrophobicContact CD1-CG2 3.55Å; L1078-V1081 HydrophobicContact CD2-CG2 4.27Å; L1078-V1081 WeakPolarHBondContact O-CB 3.29Å; L1078-V1081 PolarHBondContact O-N 3.28Å; L1078-V1081 VanDerWaalsContact O-N 3.16Å; L1079-V1081 PolarHBondContact O-N 3.42Å; V1081-A1084 PolarHBondContact O-N 3.14Å; V1081-I1085 HydrophobicContact CG1-CD1 4.29Å; V1081-I1085 WeakPolarHBondContact O-CG1 3.04Å; V1081-I1085 PolarHBondContact O-N 3.09Å
1082V93Very high89.4Confident6 Ų617.8 Ų17.84%0.0369%0.092CC..Hα-helixtrans-65.6-45.8178.6-176.40000110.1A969 L973 M976 L1079 D1080 A1084 I1085 E1086A969-V1082 HydrophobicContact CB-CG2 4.43Å; L973-V1082 HydrophobicContact CD2-CG2 4.09Å; L973-V1082 HydrophobicContact CG-CG2 4.05Å; M976-V1082 HydrophobicContact SD-CG1 3.94Å; L1079-V1082 WeakPolarHBondContact O-CB 3.1Å; L1079-V1082 PolarHBondContact O-N 3.46Å; L1079-V1082 VanDerWaalsContact O-N 3.08Å; D1080-V1082 VanDerWaalsContact C-N 3.34Å; V1082-A1084 VanDerWaalsContact C-N 3.34Å; V1082-A1084 PolarHBondContact O-N 3.41Å; V1082-I1085 PolarHBondContact O-N 3.27Å; V1082-E1086 WeakPolarHBondContact O-CB 3.35Å; V1082-E1086 PolarHBondContact O-N 3.43Å
1083A92.2Very high89.6Confident0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-62.6-38.7177.800000112.2I758 L1079 D1080 I1085 E1086 L1087 Y1170 K1172 P1173I758-A1083 HydrophobicContact CD1-CB 3.66Å; L1079-A1083 PolarHBondContact O-N 3.21Å; D1080-A1083 PolarHBondContact O-N 2.98Å; A1083-I1085 PolarHBondContact O-N 2.85Å; A1083-E1086 PolarHBondContact O-N 3.47Å; A1083-L1087 WeakPolarHBondContact O-CB 3.27Å; A1083-L1087 PolarHBondContact O-N 3.48Å; A1083-Y1170 PolarHBondContact O-OH 2.92Å; A1083-K1172 HydrophobicContact CB-CG 4Å; A1083-P1173 HydrophobicContact CB-CG 4.17Å
1084A92.5Very high89.7Confident0 Ų030.8 Ų30.80%014%0.141CC..Hα-helixtrans-61.8-44.2177.600000111.9I758 I1071 D1080 V1081 V1082 S1088I758-A1084 HydrophobicContact CD1-CB 4.32Å; I758-A1084 HydrophobicContact CG2-CB 3.68Å; I1071-A1084 HydrophobicContact CG2-CB 4.44Å; D1080-A1084 VanDerWaalsContact O-CB 3.27Å; D1080-A1084 WeakPolarHBondContact O-CB 3.05Å; D1080-A1084 PolarHBondContact O-N 2.89Å; V1081-A1084 PolarHBondContact O-N 3.14Å; V1082-A1084 VanDerWaalsContact C-N 3.34Å; V1082-A1084 PolarHBondContact O-N 3.41Å; A1084-S1088 VanDerWaalsContact O-CB 3.27Å; A1084-S1088 WeakPolarHBondContact O-CB 3.34Å; A1084-S1088 PolarHBondContact O-N 3.16Å; A1084-S1088 PolarHBondContact O-OG 3.34Å
1085I92.8Very high90Very high5 Ų529.9 Ų29.93%0.02614%0.136CC..Hα-helixtrans-69.6-41.3178.3-63.4168.3000110.8I775 L973 M976 I978 V1081 V1082 A1083 S1088 A1089I775-I1085 HydrophobicContact CD1-CD1 3.45Å; I775-I1085 VanDerWaalsContact CD1-CD1 3.45Å; L973-I1085 HydrophobicContact CD2-CD1 3.83Å; M976-I1085 HydrophobicContact CE-CB 4.25Å; M976-I1085 HydrophobicContact CE-CG2 3.6Å; I978-I1085 HydrophobicContact CD1-CD1 4Å; I978-I1085 HydrophobicContact CD1-CG2 4.05Å; V1081-I1085 HydrophobicContact CG1-CD1 4.29Å; V1081-I1085 WeakPolarHBondContact O-CG1 3.04Å; V1081-I1085 PolarHBondContact O-N 3.09Å; V1082-I1085 PolarHBondContact O-N 3.27Å; A1083-I1085 PolarHBondContact O-N 2.85Å; I1085-S1088 WeakPolarHBondContact O-CB 3.38Å; I1085-S1088 PolarHBondContact O-N 3.43Å; I1085-A1089 WeakPolarHBondContact O-CB 3.36Å; I1085-A1089 PolarHBondContact O-N 3.32Å
1086E92.5Very high90.5Very high54 Ų5435.9 Ų35.925%0.25216%0.158SC..Hα-helixtrans-64.4-45177.3-166.5-159.7174.800112V1082 A1083 S1088 A1089 K1090 Y1170 P1173V1082-E1086 WeakPolarHBondContact O-CB 3.35Å; V1082-E1086 PolarHBondContact O-N 3.43Å; A1083-E1086 PolarHBondContact O-N 3.47Å; E1086-S1088 VanDerWaalsContact C-N 3.31Å; E1086-S1088 PolarHBondContact O-N 3.04Å; E1086-A1089 PolarHBondContact O-N 3.2Å; E1086-K1090 WeakPolarHBondContact O-CG 3.19Å; E1086-K1090 PolarHBondContact O-N 3.11Å; E1086-K1090 WeakPolarHBondContact OE1-CE 3.19Å; E1086-K1090 IonicContact OE1-NZ 2.84Å; E1086-K1090 PolarHBondContact OE1-NZ 3.44Å; E1086-Y1170 HydrophobicContact CG-CE2 4.42Å; E1086-Y1170 PolarHBondContact OE2-OH 3.43Å; E1086-P1173 WeakPolarHBondContact OE2-CD 3.29Å
1087L92.5Very high91Very high1 Ų135.1 Ų35.11%0.00515%0.154CC..Hα-helixtrans-59.2-44.2175.3177.961.3000110.8A1083 K1090 T1091 Y1170A1083-L1087 WeakPolarHBondContact O-CB 3.27Å; A1083-L1087 PolarHBondContact O-N 3.48Å; L1087-K1090 PolarHBondContact O-N 2.49Å; L1087-T1091 WeakPolarHBondContact O-CB 3.23Å; L1087-T1091 PolarHBondContact O-N 3.5Å; L1087-T1091 PolarHBondContact O-OG1 3.23Å; L1087-Y1170 HydrophobicContact CB-CE1 4.32Å; L1087-Y1170 HydrophobicContact CD1-CD1 3.96Å; L1087-Y1170 HydrophobicContact CD1-CE1 4.23Å; L1087-Y1170 HydrophobicContact CD1-CG 4.13Å
1088S91.8Very high91.2Very high0 Ų033.5 Ų33.50%015%0.145CC..Hα-helixtrans-60.2-46.9176.1-64.70000111.6L766 A769 A1084 I1085 E1086 K1090 T1091 T1092L766-S1088 VanDerWaalsContact O-CB 3.23Å; L766-S1088 WeakPolarHBondContact O-CB 3.24Å; L766-S1088 PolarHBondContact O-OG 3.22Å; A769-S1088 WeakPolarHBondContact CB-OG 3.3Å; A1084-S1088 VanDerWaalsContact O-CB 3.27Å; A1084-S1088 WeakPolarHBondContact O-CB 3.34Å; A1084-S1088 PolarHBondContact O-N 3.16Å; A1084-S1088 PolarHBondContact O-OG 3.34Å; I1085-S1088 WeakPolarHBondContact O-CB 3.38Å; I1085-S1088 PolarHBondContact O-N 3.43Å; E1086-S1088 VanDerWaalsContact C-N 3.31Å; E1086-S1088 PolarHBondContact O-N 3.04Å; S1088-K1090 PolarHBondContact O-N 2.99Å; S1088-T1091 PolarHBondContact O-N 2.76Å; S1088-T1092 PolarHBondContact O-N 3.46Å; S1088-T1092 PolarHBondContact O-OG1 2.85Å
1089A90.7Very high91.2Very high30 Ų3034.9 Ų34.925%0.24815%0.151CC..Hα-helixtrans-63-43.3177.600000113Q770 I1085 E1086 T1091 R1093Q770-A1089 HydrophobicContact CB-CB 4.28Å; Q770-A1089 HydrophobicContact CG-CB 3.79Å; I1085-A1089 WeakPolarHBondContact O-CB 3.36Å; I1085-A1089 PolarHBondContact O-N 3.32Å; E1086-A1089 PolarHBondContact O-N 3.2Å; A1089-T1091 VanDerWaalsContact C-N 3.34Å; A1089-R1093 WeakPolarHBondContact O-CB 3.25Å; A1089-R1093 PolarHBondContact O-N 2.89Å; A1089-R1093 VanDerWaalsContact O-N 3.08Å
1090K91.9Very high91.1Very high86 Ų8639.7 Ų39.737%0.37418%0.176SC..Hα-helixtrans-64.2-40.4176.1-76.4-179.9-175.7170.90111.5E1086 L1087 S1088 R1093 R1094 Y1170E1086-K1090 WeakPolarHBondContact O-CG 3.19Å; E1086-K1090 PolarHBondContact O-N 3.11Å; E1086-K1090 WeakPolarHBondContact OE1-CE 3.19Å; E1086-K1090 IonicContact OE1-NZ 2.84Å; E1086-K1090 PolarHBondContact OE1-NZ 3.44Å; L1087-K1090 PolarHBondContact O-N 2.49Å; S1088-K1090 PolarHBondContact O-N 2.99Å; K1090-R1093 PolarHBondContact O-N 2.98Å; K1090-R1094 VanDerWaalsContact O-CG 3.32Å; K1090-R1094 WeakPolarHBondContact O-CG 3.39Å; K1090-R1094 PolarHBondContact O-N 2.96Å; K1090-Y1170 HydrophobicContact CD-CD2 3.53Å; K1090-Y1170 HydrophobicContact CD-CE2 3.67Å; K1090-Y1170 VanDerWaalsContact NZ-CE2 3.31Å
1091T91.5Very high91Very high0 Ų043.1 Ų43.10%019%0.191CC..Hα-helixtrans-66.6-48.3-179.8-57.50000111.5A745 A749 L766 L1087 S1088 A1089 R1093 R1094 I1095 L1167A745-T1091 HydrophobicContact CB-CG2 4.3Å; A749-T1091 HydrophobicContact CB-CG2 3.54Å; A749-T1091 WeakPolarHBondContact CB-OG1 3.14Å; L766-T1091 HydrophobicContact CD1-CG2 4.35Å; L766-T1091 HydrophobicContact CD2-CG2 3.57Å; L1087-T1091 WeakPolarHBondContact O-CB 3.23Å; L1087-T1091 PolarHBondContact O-N 3.5Å; L1087-T1091 PolarHBondContact O-OG1 3.23Å; S1088-T1091 PolarHBondContact O-N 2.76Å; A1089-T1091 VanDerWaalsContact C-N 3.34Å; T1091-R1093 VanDerWaalsContact C-N 3.3Å; T1091-R1093 PolarHBondContact O-N 3Å; T1091-R1094 CarbonylContact O-C 3.09Å; T1091-R1094 WeakPolarHBondContact O-CA 3.45Å; T1091-R1094 WeakPolarHBondContact O-CB 3.49Å; T1091-R1094 PolarHBondContact O-N 3.45Å; T1091-I1095 HydrophobicContact CG2-CD1 4.08Å; T1091-I1095 WeakPolarHBondContact O-CG1 3.31Å; T1091-I1095 PolarHBondContact O-N 2.68Å; T1091-L1167 HydrophobicContact CG2-CD1 4.17Å
1092T88.8Confident90.7Very high6 Ų643.1 Ų43.14%0.03719%0.191CC..Hα-helixtrans-63.5-36177.1-56.90000112.4Q770 S1088 R1094 I1095 R1096Q770-T1092 PolarHBondContact OE1-OG1 3.36Å; S1088-T1092 PolarHBondContact O-N 3.46Å; S1088-T1092 PolarHBondContact O-OG1 2.85Å; T1092-R1094 VanDerWaalsContact C-N 3.32Å; T1092-R1094 PolarHBondContact O-N 3.18Å; T1092-I1095 PolarHBondContact O-N 2.86Å; T1092-R1096 WeakPolarHBondContact O-CG 3.37Å; T1092-R1096 PolarHBondContact O-N 3.4Å
1093R90.2Very high90.3Very high197 Ų19744.9 Ų44.974%0.74320%0.204SC*.Hα-helixtrans-61.2-41.4171.9-175.6178177.5179.4-0.5111.5A1089 K1090 T1091 R1096 L1097A1089-R1093 WeakPolarHBondContact O-CB 3.25Å; A1089-R1093 PolarHBondContact O-N 2.89Å; A1089-R1093 VanDerWaalsContact O-N 3.08Å; K1090-R1093 PolarHBondContact O-N 2.98Å; T1091-R1093 VanDerWaalsContact C-N 3.3Å; T1091-R1093 PolarHBondContact O-N 3Å; R1093-R1096 PolarHBondContact O-N 2.87Å; R1093-L1097 PolarHBondContact O-N 3.07Å; R1093-L1097 VanDerWaalsContact O-N 3.12Å
1094R91.7Very high90.2Very high80 Ų8048.8 Ų48.830%0.30222%0.224SC..Hα-helixtrans-65.5-41.1174.5-70-71-178176.51.6111.9K1090 T1091 T1092 R1096 L1097 N1098 L1167K1090-R1094 VanDerWaalsContact O-CG 3.32Å; K1090-R1094 WeakPolarHBondContact O-CG 3.39Å; K1090-R1094 PolarHBondContact O-N 2.96Å; T1091-R1094 CarbonylContact O-C 3.09Å; T1091-R1094 WeakPolarHBondContact O-CA 3.45Å; T1091-R1094 WeakPolarHBondContact O-CB 3.49Å; T1091-R1094 PolarHBondContact O-N 3.45Å; T1092-R1094 VanDerWaalsContact C-N 3.32Å; T1092-R1094 PolarHBondContact O-N 3.18Å; R1094-R1096 PolarHBondContact O-N 3.2Å; R1094-L1097 WeakPolarHBondContact O-CB 3.3Å; R1094-L1097 PolarHBondContact O-N 3.03Å; R1094-N1098 WeakPolarHBondContact O-CB 3.37Å; R1094-N1098 PolarHBondContact O-N 3.32Å; R1094-N1098 PolarHBondContact O-OD1 3.04Å; R1094-L1167 HydrophobicContact CB-CD1 4.44Å; R1094-L1167 HydrophobicContact CG-CD1 4.47Å; R1094-L1167 HydrophobicContact CG-CD2 3.87Å; R1094-L1167 HydrophobicContact CG-CG 4.1Å
1095I89Confident89.9Confident9 Ų952 Ų525%0.04624%0.236CC..Hα-helixtrans-57.4-50.3174.9-68.1164.9000110V645 T742 A745 V746 T1091 T1092 L1097 N1098 F1099V645-I1095 HydrophobicContact CG1-CG2 3.75Å; T742-I1095 HydrophobicContact CG2-CD1 4.14Å; T742-I1095 HydrophobicContact CG2-CG2 4.38Å; A745-I1095 HydrophobicContact CB-CD1 4.24Å; A745-I1095 HydrophobicContact CB-CG1 3.52Å; V746-I1095 HydrophobicContact CG2-CD1 4.07Å; T1091-I1095 HydrophobicContact CG2-CD1 4.08Å; T1091-I1095 WeakPolarHBondContact O-CG1 3.31Å; T1091-I1095 PolarHBondContact O-N 2.68Å; T1092-I1095 PolarHBondContact O-N 2.86Å; I1095-L1097 VanDerWaalsContact C-N 3.3Å; I1095-L1097 PolarHBondContact O-N 2.88Å; I1095-N1098 WeakPolarHBondContact O-CA 3.14Å; I1095-N1098 WeakPolarHBondContact O-CB 3.17Å; I1095-N1098 PolarHBondContact O-N 3.46Å; I1095-F1099 HydrophobicContact CG2-CD2 3.74Å; I1095-F1099 HydrophobicContact CG2-CE2 3.58Å; I1095-F1099 VanDerWaalsContact O-CD2 3.28Å; I1095-F1099 WeakPolarHBondContact O-CD2 3.35Å; I1095-F1099 PolarHBondContact O-N 2.84Å
1096R89.3Confident89.6Confident158 Ų15852.2 Ų52.260%0.59624%0.238SC*.Hα-helixtrans-58.2-40.6177.5-68.5179.9-168.11724.6112.8T1092 R1093 R1094 F1099 L1100T1092-R1096 WeakPolarHBondContact O-CG 3.37Å; T1092-R1096 PolarHBondContact O-N 3.4Å; R1093-R1096 PolarHBondContact O-N 2.87Å; R1094-R1096 PolarHBondContact O-N 3.2Å; R1096-F1099 PolarHBondContact O-N 3.46Å; R1096-L1100 PolarHBondContact O-N 2.73Å
1097L91.2Very high89.2Confident64 Ų6455.8 Ų55.834%0.33526%0.258SS..Hα-helixtrans-66.1-39.1175.3-169.4107.6000111.7R1093 R1094 I1095 L1100 F1101 S1163R1093-L1097 PolarHBondContact O-N 3.07Å; R1093-L1097 VanDerWaalsContact O-N 3.12Å; R1094-L1097 WeakPolarHBondContact O-CB 3.3Å; R1094-L1097 PolarHBondContact O-N 3.03Å; I1095-L1097 VanDerWaalsContact C-N 3.3Å; I1095-L1097 PolarHBondContact O-N 2.88Å; L1097-L1100 WeakPolarHBondContact O-CB 3.34Å; L1097-L1100 PolarHBondContact O-N 2.75Å; L1097-F1101 HydrophobicContact CD1-CZ 4.48Å; L1097-F1101 HydrophobicContact CD2-CD2 3.93Å; L1097-F1101 HydrophobicContact CD2-CE2 3.18Å; L1097-F1101 HydrophobicContact CD2-CZ 3.69Å; L1097-F1101 HydrophobicContact CG-CD2 4.2Å; L1097-F1101 HydrophobicContact CG-CE2 3.72Å; L1097-F1101 HydrophobicContact CG-CZ 3.98Å; L1097-F1101 WeakPolarHBondContact O-CD2 3.44Å; L1097-F1101 WeakPolarHBondContact O-CG 2.93Å; L1097-F1101 PolarHBondContact O-N 3.09Å; L1097-S1163 WeakPolarHBondContact CD2-OG 3.24Å
1098N90.8Very high88.9Confident0 Ų058.5 Ų58.50%027%0.274CS..Hα-helixtrans-64.8-39.4175.3-68.4-8.7000111.6A741 R1094 I1095 L1100 F1101 A1102 V1160 S1163 S1164A741-N1098 HydrophobicContact CB-CB 3.59Å; A741-N1098 PolarHBondContact O-ND2 3.37Å; A741-N1098 VanDerWaalsContact O-ND2 3.11Å; R1094-N1098 WeakPolarHBondContact O-CB 3.37Å; R1094-N1098 PolarHBondContact O-N 3.32Å; R1094-N1098 PolarHBondContact O-OD1 3.04Å; I1095-N1098 WeakPolarHBondContact O-CA 3.14Å; I1095-N1098 WeakPolarHBondContact O-CB 3.17Å; I1095-N1098 PolarHBondContact O-N 3.46Å; N1098-L1100 VanDerWaalsContact C-N 3.34Å; N1098-F1101 PolarHBondContact O-N 2.98Å; N1098-A1102 WeakPolarHBondContact O-CB 3.43Å; N1098-A1102 PolarHBondContact O-N 2.93Å; N1098-V1160 HydrophobicContact CB-CG1 4.05Å; N1098-V1160 HydrophobicContact CB-CG2 4.22Å; N1098-S1163 WeakPolarHBondContact OD1-CB 3.3Å; N1098-S1163 PolarHBondContact OD1-OG 3.07Å; N1098-S1164 PolarHBondContact ND2-OG 3.33Å
1099F87.9Confident88.5Confident31 Ų3158.9 Ų58.914%0.13628%0.278CS..Hα-helixtrans-60.1-44.8171.4-88.4-83.8000111.3V645 A649 L738 A741 T742 I1095 R1096 F1101 A1102 S1103V645-F1099 HydrophobicContact CG1-CD2 4.22Å; V645-F1099 HydrophobicContact CG1-CE2 3.25Å; V645-F1099 HydrophobicContact CG1-CZ 3.65Å; A649-F1099 HydrophobicContact CB-CE1 3.99Å; A649-F1099 HydrophobicContact CB-CZ 3.9Å; L738-F1099 HydrophobicContact CD1-CD1 3.28Å; L738-F1099 HydrophobicContact CD1-CE1 3.51Å; L738-F1099 HydrophobicContact CD1-CG 4.36Å; L738-F1099 HydrophobicContact CG-CD1 4.31Å; L738-F1099 HydrophobicContact CG-CE1 4.06Å; A741-F1099 HydrophobicContact CB-CD2 4.12Å; A741-F1099 HydrophobicContact CB-CE2 4.13Å; A741-F1099 HydrophobicContact CB-CG 4.46Å; T742-F1099 WeakPolarHBondContact OG1-CE2 3.46Å; I1095-F1099 HydrophobicContact CG2-CD2 3.74Å; I1095-F1099 HydrophobicContact CG2-CE2 3.58Å; I1095-F1099 VanDerWaalsContact O-CD2 3.28Å; I1095-F1099 WeakPolarHBondContact O-CD2 3.35Å; I1095-F1099 PolarHBondContact O-N 2.84Å; R1096-F1099 PolarHBondContact O-N 3.46Å; F1099-F1101 PolarHBondContact O-N 3.27Å; F1099-A1102 PolarHBondContact O-N 3.31Å; F1099-S1103 WeakPolarHBondContact O-CB 3.26Å; F1099-S1103 PolarHBondContact O-N 2.94Å; F1099-S1103 PolarHBondContact O-OG 3.42Å
1100L89.7Confident88.3Confident106 Ų10659 Ų5956%0.55527%0.274SS*.Hα-helixtrans-58.6-48.3175.3179.965.9000111.3R1096 L1097 N1098 A1102 S1103 I1104R1096-L1100 PolarHBondContact O-N 2.73Å; L1097-L1100 WeakPolarHBondContact O-CB 3.34Å; L1097-L1100 PolarHBondContact O-N 2.75Å; N1098-L1100 VanDerWaalsContact C-N 3.34Å; L1100-A1102 VanDerWaalsContact C-N 3.34Å; L1100-A1102 PolarHBondContact O-N 3.41Å; L1100-S1103 PolarHBondContact O-N 3.23Å; L1100-I1104 WeakPolarHBondContact O-CB 3.3Å; L1100-I1104 PolarHBondContact O-N 3.44Å
1101F88.2Confident87.9Confident72 Ų7258.3 Ų58.332%0.31628%0.278SS..Hα-helixtrans-64.1-34.9177.1-69.4-35.1000113.4L1097 N1098 F1099 Y1105 V1160L1097-F1101 HydrophobicContact CD1-CZ 4.48Å; L1097-F1101 HydrophobicContact CD2-CD2 3.93Å; L1097-F1101 HydrophobicContact CD2-CE2 3.18Å; L1097-F1101 HydrophobicContact CD2-CZ 3.69Å; L1097-F1101 HydrophobicContact CG-CD2 4.2Å; L1097-F1101 HydrophobicContact CG-CE2 3.72Å; L1097-F1101 HydrophobicContact CG-CZ 3.98Å; L1097-F1101 WeakPolarHBondContact O-CD2 3.44Å; L1097-F1101 WeakPolarHBondContact O-CG 2.93Å; L1097-F1101 PolarHBondContact O-N 3.09Å; N1098-F1101 PolarHBondContact O-N 2.98Å; F1099-F1101 PolarHBondContact O-N 3.27Å; F1101-Y1105 WeakPolarHBondContact O-CD2 3.34Å; F1101-Y1105 WeakPolarHBondContact O-CE2 3.34Å; F1101-V1160 HydrophobicContact CB-CG2 4.3Å
1102A85.7Confident87.4Confident1 Ų159.9 Ų59.91%0.00829%0.287CS..Hα-helixtrans-70.7-42.617600000111.6S737 L738 N1098 F1099 L1100 V1160S737-A1102 WeakPolarHBondContact OG-CA 3.35Å; S737-A1102 WeakPolarHBondContact OG-CB 3.47Å; L738-A1102 HydrophobicContact CB-CB 4.2Å; L738-A1102 HydrophobicContact CD1-CB 4.04Å; N1098-A1102 WeakPolarHBondContact O-CB 3.43Å; N1098-A1102 PolarHBondContact O-N 2.93Å; F1099-A1102 PolarHBondContact O-N 3.31Å; L1100-A1102 VanDerWaalsContact C-N 3.34Å; L1100-A1102 PolarHBondContact O-N 3.41Å; A1102-V1160 HydrophobicContact CB-CG2 4.34Å
1103S85.8Confident87Confident43 Ų4359.6 Ų59.630%0.30129%0.285SS..Hα-helixtrans-76.2-32-175.9-63.80000113.7F1099 L1100 Y1105 N1106 L1107F1099-S1103 WeakPolarHBondContact O-CB 3.26Å; F1099-S1103 PolarHBondContact O-N 2.94Å; F1099-S1103 PolarHBondContact O-OG 3.42Å; L1100-S1103 PolarHBondContact O-N 3.23Å; S1103-Y1105 PolarHBondContact O-N 3.29Å; S1103-N1106 PolarHBondContact O-N 3.14Å; S1103-L1107 WeakPolarHBondContact O-CB 3.48Å; S1103-L1107 VanDerWaalsContact O-CG 3.31Å; S1103-L1107 WeakPolarHBondContact O-CG 3.23Å; S1103-L1107 PolarHBondContact O-N 2.88Å
1104I89.5Confident86.4Confident82 Ų8251.4 Ų51.442%0.42126%0.259SS..Hα-helixtrans-62.2-40.8-173.4-161.6170000112.8L1100 N1106 V1108L1100-I1104 WeakPolarHBondContact O-CB 3.3Å; L1100-I1104 PolarHBondContact O-N 3.44Å; I1104-N1106 VanDerWaalsContact C-N 3.35Å; I1104-N1106 PolarHBondContact O-N 3.42Å; I1104-V1108 HydrophobicContact CG1-CG2 4.36Å; I1104-V1108 WeakPolarHBondContact O-CB 3.41Å; I1104-V1108 VanDerWaalsContact O-CG2 3.3Å; I1104-V1108 WeakPolarHBondContact O-CG2 3.37Å; I1104-V1108 PolarHBondContact O-N 3.41Å
1105Y86.7Confident85.3Confident66 Ų6649.8 Ų49.826%0.25926%0.263SS..Hα-helixtrans-64.5-39.6178-67.2-89.2000111.6F1101 S1103 G1109 A1152 M1155 S1159F1101-Y1105 WeakPolarHBondContact O-CD2 3.34Å; F1101-Y1105 WeakPolarHBondContact O-CE2 3.34Å; S1103-Y1105 PolarHBondContact O-N 3.29Å; Y1105-G1109 WeakPolarHBondContact O-CA 3.33Å; Y1105-G1109 PolarHBondContact O-N 3.32Å; Y1105-A1152 HydrophobicContact CD1-CB 4.2Å; Y1105-M1155 HydrophobicContact CE1-CB 4.23Å; Y1105-S1159 PolarHBondContact OH-OG 2.83Å
1106N85.5Confident84Confident11 Ų1149.6 Ų49.66%0.05926%0.262CS..Hα-helixtrans-74.9-43.2-179.5-62.710.4000111.3F656 I732 C734 S1103 I1104 V1108 G1109 I1110 M1153F656-N1106 HydrophobicContact CZ-CB 4.44Å; I732-N1106 PolarHBondContact O-OD1 2.91Å; C734-N1106 PolarHBondContact O-ND2 3.3Å; C734-N1106 VanDerWaalsContact O-ND2 3.13Å; S1103-N1106 PolarHBondContact O-N 3.14Å; I1104-N1106 VanDerWaalsContact C-N 3.35Å; I1104-N1106 PolarHBondContact O-N 3.42Å; N1106-V1108 VanDerWaalsContact C-N 3.33Å; N1106-V1108 PolarHBondContact O-N 3.19Å; N1106-G1109 PolarHBondContact O-N 3.02Å; N1106-I1110 HydrophobicContact CB-CD1 4.46Å; N1106-I1110 WeakPolarHBondContact O-CB 3.34Å; N1106-I1110 WeakPolarHBondContact O-CD1 3.34Å; N1106-I1110 VanDerWaalsContact O-CG1 3.23Å; N1106-I1110 WeakPolarHBondContact O-CG1 3.42Å; N1106-I1110 PolarHBondContact O-N 3.14Å; N1106-M1153 PolarHBondContact OD1-SD 3.05Å
1107L85.4Confident82.4Confident128 Ų12844.4 Ų44.467%0.6725%0.248SC*.Hα-helixtrans-64.3-36.6179.7-75.6173.3000112.4S1103 P1111S1103-L1107 WeakPolarHBondContact O-CB 3.48Å; S1103-L1107 VanDerWaalsContact O-CG 3.31Å; S1103-L1107 WeakPolarHBondContact O-CG 3.23Å; S1103-L1107 PolarHBondContact O-N 2.88Å; L1107-P1111 WeakPolarHBondContact O-CD 3.14Å; L1107-P1111 WeakPolarHBondContact O-CG 3.47Å
1108V85.5Confident80.3Confident59 Ų5944.7 Ų44.736%0.35825%0.25SC..Hα-helixtrans-82-40.4176.1175.20000110.8I1104 N1106 P1111 I1112 F1137I1104-V1108 HydrophobicContact CG1-CG2 4.36Å; I1104-V1108 WeakPolarHBondContact O-CB 3.41Å; I1104-V1108 VanDerWaalsContact O-CG2 3.3Å; I1104-V1108 WeakPolarHBondContact O-CG2 3.37Å; I1104-V1108 PolarHBondContact O-N 3.41Å; N1106-V1108 VanDerWaalsContact C-N 3.33Å; N1106-V1108 PolarHBondContact O-N 3.19Å; V1108-P1111 WeakPolarHBondContact O-CD 3.23Å; V1108-I1112 HydrophobicContact CG1-CD1 3.63Å; V1108-I1112 WeakPolarHBondContact O-CD1 3.32Å; V1108-I1112 VanDerWaalsContact O-CG1 3.23Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; V1108-I1112 PolarHBondContact O-N 2.85Å; V1108-F1137 HydrophobicContact CG1-CZ 4.48Å
1109G84.4Confident78.2Confident7 Ų747.6 Ų47.67%0.07227%0.265CS..Hα-helixtrans-74.1-36.2-17300000115.1Y1105 N1106 I1112 A1113Y1105-G1109 WeakPolarHBondContact O-CA 3.33Å; Y1105-G1109 PolarHBondContact O-N 3.32Å; N1106-G1109 PolarHBondContact O-N 3.02Å; G1109-I1112 PolarHBondContact O-N 3.26Å; G1109-A1113 VanDerWaalsContact O-CB 3.24Å; G1109-A1113 WeakPolarHBondContact O-CB 3.4Å; G1109-A1113 PolarHBondContact O-N 2.96Å
1110I85.7Confident76Confident33 Ų3351.4 Ų51.417%0.16929%0.294CS..Hα-helixtrans-63.3-49.4180-67.8165.8000111.8F656 V663 I732 A733 N1106 I1112 A1113 A1114F656-I1110 HydrophobicContact CE2-CD1 4.11Å; F656-I1110 HydrophobicContact CZ-CD1 3.87Å; V663-I1110 HydrophobicContact CG1-CG2 4.35Å; I732-I1110 HydrophobicContact CG2-CG1 3.9Å; A733-I1110 HydrophobicContact CB-CD1 3.88Å; A733-I1110 HydrophobicContact CB-CG1 4.03Å; N1106-I1110 HydrophobicContact CB-CD1 4.46Å; N1106-I1110 WeakPolarHBondContact O-CB 3.34Å; N1106-I1110 WeakPolarHBondContact O-CD1 3.34Å; N1106-I1110 VanDerWaalsContact O-CG1 3.23Å; N1106-I1110 WeakPolarHBondContact O-CG1 3.42Å; N1106-I1110 PolarHBondContact O-N 3.14Å; I1110-I1112 PolarHBondContact O-N 2.83Å; I1110-A1113 PolarHBondContact O-N 2.94Å; I1110-A1114 WeakPolarHBondContact O-CB 3.49Å; I1110-A1114 PolarHBondContact O-N 3Å
1111P82.7Confident73.5Confident71 Ų7155.1 Ų55.146%0.46131%0.306SS..Hα-helixtrans-61.8-40.6176-24.434.9000113.1L1107 V1108 A1114 A1115L1107-P1111 WeakPolarHBondContact O-CD 3.14Å; L1107-P1111 WeakPolarHBondContact O-CG 3.47Å; V1108-P1111 WeakPolarHBondContact O-CD 3.23Å; P1111-A1114 PolarHBondContact O-N 3.19Å; P1111-A1115 WeakPolarHBondContact O-CB 3.16Å; P1111-A1115 PolarHBondContact O-N 2.88Å
1112I80.9Confident71.4Confident34 Ų3459.9 Ų59.917%0.17433%0.329CS..Hα-helixtrans-63.3-44.8178-64.6172000110.2V1108 G1109 I1110 N1116 L1142 L1144V1108-I1112 HydrophobicContact CG1-CD1 3.63Å; V1108-I1112 WeakPolarHBondContact O-CD1 3.32Å; V1108-I1112 VanDerWaalsContact O-CG1 3.23Å; V1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; V1108-I1112 PolarHBondContact O-N 2.85Å; G1109-I1112 PolarHBondContact O-N 3.26Å; I1110-I1112 PolarHBondContact O-N 2.83Å; I1112-N1116 PolarHBondContact O-N 3.22Å; I1112-L1142 WeakPolarHBondContact CG2-O 3.03Å; I1112-L1144 HydrophobicContact CG2-CB 3.97Å
1113A81.2Confident69Low0 Ų064.2 Ų64.20%035%0.352CS..Hα-helixtrans-65.3-38.7177.600000113.2T728 V729 I732 G1109 I1110 L1144T728-A1113 HydrophobicContact CG2-CB 3.52Å; V729-A1113 HydrophobicContact CG2-CB 3.74Å; I732-A1113 HydrophobicContact CG2-CB 4.04Å; G1109-A1113 VanDerWaalsContact O-CB 3.24Å; G1109-A1113 WeakPolarHBondContact O-CB 3.4Å; G1109-A1113 PolarHBondContact O-N 2.96Å; I1110-A1113 PolarHBondContact O-N 2.94Å; A1113-L1144 HydrophobicContact CB-CD2 4.18Å
1114A77.8Confident66.7Low25 Ų2566.2 Ų66.221%0.20738%0.379CS..Hα-helixtrans-74.6-39.4179.700000112.2T667 W671 V729 I1110 P1111T667-A1114 HydrophobicContact CG2-CB 4.38Å; W671-A1114 PolarHBondContact NE1-O 2.87Å; W671-A1114 VanDerWaalsContact NE1-O 3.14Å; V729-A1114 HydrophobicContact CG2-CB 3.94Å; I1110-A1114 WeakPolarHBondContact O-CB 3.49Å; I1110-A1114 PolarHBondContact O-N 3Å; P1111-A1114 PolarHBondContact O-N 3.19Å
1115A68.7Low64.3Low46 Ų4667.3 Ų67.338%0.3839%0.393SS..Hα-helixtrans-77.2-33.9-177.600000112.5W671 P1111 T1117W671-A1115 WeakPolarHBondContact CZ2-O 3.43Å; P1111-A1115 WeakPolarHBondContact O-CB 3.16Å; P1111-A1115 PolarHBondContact O-N 2.88Å; A1115-T1117 WeakPolarHBondContact O-CA 3.34Å; A1115-T1117 VanDerWaalsContact O-CB 3.24Å; A1115-T1117 WeakPolarHBondContact O-CB 3.33Å; A1115-T1117 PolarHBondContact O-N 3.09Å; A1115-T1117 PolarHBondContact O-OG1 3.4Å
1116N61.7Low61.9Low5 Ų569.9 Ų69.93%0.02742%0.416CS..  trans2429.6177.8-151.924.8000118.8H689 C725 I1112 G1143 L1144H689-N1116 PolarHBondContact CE1-OD1 3.04Å; H689-N1116 PolarHBondContact NE2-O 3.01Å; C725-N1116 VanDerWaalsContact SG-CB 3.56Å; C725-N1116 PolarHBondContact SG-ND2 3.24Å; C725-N1116 VanDerWaalsContact SG-ND2 3.35Å; I1112-N1116 PolarHBondContact O-N 3.22Å; N1116-G1143 WeakPolarHBondContact OD1-CA 3.18Å; N1116-L1144 PolarHBondContact OD1-N 2.9Å
1117T54.4Low59.7Low48 Ų4878.1 Ų78.129%0.29445%0.454SS..  trans-134.5130.8-169.246.50000113.7W671 F721 A1115 L1119W671-T1117 HydrophobicContact CH2-CG2 3.08Å; W671-T1117 HydrophobicContact CZ2-CG2 3.64Å; W671-T1117 HydrophobicContact CZ3-CG2 3.83Å; F721-T1117 HydrophobicContact CZ-CG2 4.43Å; A1115-T1117 WeakPolarHBondContact O-CA 3.34Å; A1115-T1117 VanDerWaalsContact O-CB 3.24Å; A1115-T1117 WeakPolarHBondContact O-CB 3.33Å; A1115-T1117 PolarHBondContact O-N 3.09Å; A1115-T1117 PolarHBondContact O-OG1 3.4Å; T1117-L1119 VanDerWaalsContact CB-CB 3.46Å; T1117-L1119 HydrophobicContact CG2-CB 3.9Å; T1117-L1119 HydrophobicContact CG2-CD2 4.41Å; T1117-L1119 PolarHBondContact O-N 3.41Å
1118N48.3Very low57.5Low70 Ų7078 Ų7837%0.37445%0.454SS..  trans-71.517.2157.2-74.1-37.3000112.6C1120 G1141N1118-C1120 VanDerWaalsContact C-N 3.28Å; N1118-C1120 PolarHBondContact O-N 2.97Å; N1118-C1120 VanDerWaalsContact O-N 3.08Å; N1118-G1141 VanDerWaalsContact OD1-CA 3.3Å; N1118-G1141 WeakPolarHBondContact OD1-CA 3.37Å
1119L45.6Very low55.5Low62 Ų6282.4 Ų82.433%0.32547%0.474SS..THydrogen-bonded Turntrans-86.830.8-163.5-164.773.1000114.2K681 T1117K681-L1119 HydrophobicContact CB-CD1 3.99Å; K681-L1119 HydrophobicContact CB-CD2 4.49Å; K681-L1119 HydrophobicContact CD-CD1 4.4Å; K681-L1119 HydrophobicContact CD-CD2 4.25Å; K681-L1119 HydrophobicContact CG-CD1 4Å; T1117-L1119 VanDerWaalsContact CB-CB 3.46Å; T1117-L1119 HydrophobicContact CG2-CB 3.9Å; T1117-L1119 HydrophobicContact CG2-CD2 4.41Å; T1117-L1119 PolarHBondContact O-N 3.41Å
1120C42.4Very low53.4Low110 Ų11089.4 Ų89.474%0.74351%0.509SS*.THydrogen-bonded Turntrans-122.416.7172.9-155.50000113.3N1118N1118-C1120 VanDerWaalsContact C-N 3.28Å; N1118-C1120 PolarHBondContact O-N 2.97Å; N1118-C1120 VanDerWaalsContact O-N 3.08Å
1121F38Very low51.5Low185 Ų18591.5 Ų91.581%0.81152%0.523SS*.SBendtrans-97.2-21.7179-158.8-103000114.4
1122Q43.3Very low49.5Very low171 Ų17198.7 Ų98.780%0.79954%0.541SS*.SBendtrans-119.9-12.4-167.7-138.496.4-6.100116.8
1123L35.6Very low47.7Very low93 Ų93102.8 Ų102.849%0.48757%0.568SS.*  trans-115.1108.3-176.2-75.3159.3000109.5K681 C1125K681-L1123 HydrophobicContact CD-CD1 4.47Å; K681-L1123 VanDerWaalsContact CE-CD1 3.4Å; L1123-C1125 PolarHBondContact O-N 3.18Å
1124G37.9Very low45.9Very low85 Ų85106.8 Ų106.888%0.87660%0.596SS**  trans-65.756.917200000113T1126G1124-T1126 PolarHBondContact O-N 3.35Å
1125C38.9Very low44.1Very low105 Ų105107 Ų10771%0.70960%0.601SS**  trans-84.2112.9177.8-70.70000110.2L1123L1123-C1125 PolarHBondContact O-N 3.18Å
1126T36Very low43Very low119 Ų119108.8 Ų108.873%0.7362%0.615SS**  trans-64.5138.2177.636.60000112.9G1124G1124-T1126 PolarHBondContact O-N 3.35Å
1127E38.6Very low42.2Very low184 Ų184114 Ų11486%0.8664%0.637SS**  trans47.768.5144.1-56.7-166.4155.500119.5
1128N40.3Very low41.4Very low126 Ų126122.4 Ų122.467%0.67466%0.664SS**  trans-136.6141.5157-83.9-45.6000112.9L1130 T1131N1128-L1130 PolarHBondContact O-N 2.89Å; N1128-T1131 PolarHBondContact O-N 2.98Å; N1128-T1131 VanDerWaalsContact O-N 3.15Å; N1128-T1131 PolarHBondContact O-OG1 3.47Å
1129I43.2Very low41.1Very low152 Ų152124.3 Ų124.378%0.77968%0.68SS**THydrogen-bonded Turntrans-61.4-23.9-172.5-90.7163.8000113.8T1131I1129-T1131 VanDerWaalsContact C-N 3.32Å; I1129-T1131 PolarHBondContact O-N 3.42Å
1130L40.2Very low41.1Very low153 Ų153126.4 Ų126.480%0.80169%0.691SS**THydrogen-bonded Turntrans-67.7-27.9176.5-10290.9000113.6N1128 R1132N1128-L1130 PolarHBondContact O-N 2.89Å; L1130-R1132 VanDerWaalsContact C-N 3.34Å; L1130-R1132 PolarHBondContact O-N 3.36Å
1131T46.8Very low41.4Very low77 Ų77123.6 Ų123.647%0.47268%0.681SS.*Hα-helixtrans-76.3-17.4-177.3-1.80000113.8N1128 I1129 G1135N1128-T1131 PolarHBondContact O-N 2.98Å; N1128-T1131 VanDerWaalsContact O-N 3.15Å; N1128-T1131 PolarHBondContact O-OG1 3.47Å; I1129-T1131 VanDerWaalsContact C-N 3.32Å; I1129-T1131 PolarHBondContact O-N 3.42Å; T1131-G1135 PolarHBondContact O-N 3.5Å
1132R38.7Very low42.3Very low222 Ų222119.5 Ų119.584%0.83867%0.667SS**Hα-helixtrans-76.5-24.3-179-91.1-170.8163-179.9-2.8114L1130L1130-R1132 VanDerWaalsContact C-N 3.34Å; L1130-R1132 PolarHBondContact O-N 3.36Å
1133V44.5Very low43.3Very low121 Ų121112.3 Ų112.373%0.73364%0.638SS**Hα-helixtrans-79.4-32.1176.7-175.10000110.8G1135V1133-G1135 VanDerWaalsContact C-N 3.29Å; V1133-G1135 PolarHBondContact O-N 3.49Å
1134S44.1Very low44.9Very low84 Ų84109 Ų10959%0.58762%0.621SS**Hα-helixtrans-71.9-21.5172.4-48.10000113.3A1136S1134-A1136 VanDerWaalsContact C-N 3.32Å; S1134-A1136 PolarHBondContact O-N 3.07Å
1135G38.3Very low46.6Very low30 Ų30108.7 Ų108.731%0.30960%0.596SS.*G310 helixtrans-73.9-8.3-175.600000116.5T1131 V1133 R1138T1131-G1135 PolarHBondContact O-N 3.5Å; V1133-G1135 VanDerWaalsContact C-N 3.29Å; V1133-G1135 PolarHBondContact O-N 3.49Å; G1135-R1138 VanDerWaalsContact O-CB 3.29Å; G1135-R1138 WeakPolarHBondContact O-CB 3.49Å; G1135-R1138 WeakPolarHBondContact O-CD 3.39Å; G1135-R1138 VanDerWaalsContact O-CG 3.31Å; G1135-R1138 WeakPolarHBondContact O-CG 3.28Å
1136A46.5Very low48.2Very low82 Ų82104 Ų10468%0.67857%0.565SS**G310 helixtrans-81.7-21.1-179.800000113.7S1134 R1138S1134-A1136 VanDerWaalsContact C-N 3.32Å; S1134-A1136 PolarHBondContact O-N 3.07Å; A1136-R1138 VanDerWaalsContact C-N 3.27Å
1137F45.6Very low50.1Low115 Ų115103.2 Ų103.250%0.50455%0.549SS..G310 helixtrans-94.920.4175-68.9-83.7000112.8V1108 P1139 L1140V1108-F1137 HydrophobicContact CG1-CZ 4.48Å; F1137-P1139 VanDerWaalsContact C-N 3.33Å; F1137-P1139 VanDerWaalsContact O-CD 3.3Å; F1137-P1139 WeakPolarHBondContact O-CD 3.48Å; F1137-L1140 PolarHBondContact O-N 3.12Å
1138R37.3Very low52.1Low224 Ų22497.4 Ų97.485%0.84552%0.522SS*.THydrogen-bonded Turntrans-41.4-31.8-176.3-122175.6178.9-178.1-2.1118.3G1135 A1136G1135-R1138 VanDerWaalsContact O-CB 3.29Å; G1135-R1138 WeakPolarHBondContact O-CB 3.49Å; G1135-R1138 WeakPolarHBondContact O-CD 3.39Å; G1135-R1138 VanDerWaalsContact O-CG 3.31Å; G1135-R1138 WeakPolarHBondContact O-CG 3.28Å; A1136-R1138 VanDerWaalsContact C-N 3.27Å
1139P41.4Very low54Low111 Ų11191.4 Ų91.472%0.72149%0.49SS*.THydrogen-bonded Turntrans-105.7-2.7-173.935-29.8000116F1137F1137-P1139 VanDerWaalsContact C-N 3.33Å; F1137-P1139 VanDerWaalsContact O-CD 3.3Å; F1137-P1139 WeakPolarHBondContact O-CD 3.48Å
1140L46.2Very low55.6Low105 Ų10584.2 Ų84.255%0.5545%0.453SS..  trans-102.7-15.4-160-89.7155000116.9F1137 L1142F1137-L1140 PolarHBondContact O-N 3.12Å; L1140-L1142 HydrophobicContact CB-CD1 3.92Å; L1140-L1142 HydrophobicContact CB-CG 3.97Å; L1140-L1142 HydrophobicContact CD2-CD1 4.09Å; L1140-L1142 HydrophobicContact CD2-CG 4.47Å; L1140-L1142 HydrophobicContact CG-CD1 4.4Å; L1140-L1142 WeakPolarHBondContact O-CG 3.16Å; L1140-L1142 PolarHBondContact O-N 3.44Å
1141G49Very low57.5Low51 Ų5178.1 Ų78.153%0.52643%0.425SS..  trans55.223.7174.800000115.4N1118 G1143N1118-G1141 VanDerWaalsContact OD1-CA 3.3Å; N1118-G1141 WeakPolarHBondContact OD1-CA 3.37Å; G1141-G1143 PolarHBondContact O-N 3.44Å
1142L56.9Low59.2Low100 Ų10075.7 Ų75.752%0.52441%0.413SS..  trans-86.6107.8-171-67.5171.5000110.9I1112 L1140I1112-L1142 WeakPolarHBondContact CG2-O 3.03Å; L1140-L1142 HydrophobicContact CB-CD1 3.92Å; L1140-L1142 HydrophobicContact CB-CG 3.97Å; L1140-L1142 HydrophobicContact CD2-CD1 4.09Å; L1140-L1142 HydrophobicContact CD2-CG 4.47Å; L1140-L1142 HydrophobicContact CG-CD1 4.4Å; L1140-L1142 WeakPolarHBondContact O-CG 3.16Å; L1140-L1142 PolarHBondContact O-N 3.44Å
1143G62.7Low61.2Low19 Ų1965.4 Ų65.420%0.19637%0.374CS..  trans-82.9148.1156.100000110.8N1116 G1141N1116-G1143 WeakPolarHBondContact OD1-CA 3.18Å; G1141-G1143 PolarHBondContact O-N 3.44Å
1144L70.2Confident62.9Low23 Ų2360.2 Ų60.212%0.1234%0.344CS..  trans-109.2123.3175.8-164.176.6000109T728 I732 I1112 A1113 N1116 M1148 A1149T728-L1144 HydrophobicContact CG2-CB 3.98Å; T728-L1144 HydrophobicContact CG2-CD2 3.92Å; T728-L1144 HydrophobicContact CG2-CG 4.04Å; T728-L1144 WeakPolarHBondContact CG2-O 3.23Å; I732-L1144 HydrophobicContact CB-CD2 4.1Å; I732-L1144 HydrophobicContact CD1-CD2 4.36Å; I732-L1144 HydrophobicContact CG1-CD2 3.92Å; I1112-L1144 HydrophobicContact CG2-CB 3.97Å; A1113-L1144 HydrophobicContact CB-CD2 4.18Å; N1116-L1144 PolarHBondContact OD1-N 2.9Å; L1144-M1148 HydrophobicContact CD1-CB 3.73Å; L1144-M1148 HydrophobicContact CD1-CE 4.22Å; L1144-M1148 HydrophobicContact CG-CB 4.24Å; L1144-A1149 HydrophobicContact CD2-CB 3.88Å; L1144-A1149 HydrophobicContact CG-CB 4.42Å
1145Q72.8Confident64.8Low79 Ų7961.4 Ų61.437%0.36934%0.342SS..  trans-89.5156172.3-68-178.4-32.700110.9W1147 M1148 A1149Q1145-W1147 PolarHBondContact O-N 3.43Å; Q1145-W1147 VanDerWaalsContact O-N 3.15Å; Q1145-M1148 HydrophobicContact CB-CG 4.16Å; Q1145-M1148 HydrophobicContact CB-SD 4.05Å; Q1145-M1148 HydrophobicContact CG-SD 4.36Å; Q1145-M1148 WeakPolarHBondContact O-CB 3.34Å; Q1145-M1148 PolarHBondContact O-N 3.48Å; Q1145-A1149 PolarHBondContact O-N 2.96Å
1146P73.2Confident67.1Low7 Ų760 Ų605%0.04533%0.327CS..Hα-helixtrans-54.7-35.7-179-27.333.1000114.4V498 D724 I727 T728 A1149 A1150V498-P1146 HydrophobicContact CG1-CB 4.06Å; V498-P1146 HydrophobicContact CG2-CB 4.13Å; V498-P1146 HydrophobicContact CG2-CG 4.12Å; D724-P1146 WeakPolarHBondContact OD1-CD 3.06Å; D724-P1146 VanDerWaalsContact OD1-CG 3.3Å; D724-P1146 WeakPolarHBondContact OD1-CG 3.24Å; I727-P1146 HydrophobicContact CG2-CB 4.35Å; I727-P1146 HydrophobicContact CG2-CG 4.29Å; T728-P1146 VanDerWaalsContact OG1-CD 3.26Å; T728-P1146 WeakPolarHBondContact OG1-CD 3.33Å; T728-P1146 WeakPolarHBondContact OG1-CG 3.47Å; P1146-A1149 WeakPolarHBondContact O-CB 3.18Å; P1146-A1149 PolarHBondContact O-N 3.33Å; P1146-A1150 PolarHBondContact O-N 3.34Å
1147W75Confident68.8Low102 Ų10256.3 Ų56.339%0.38630%0.297SS..Hα-helixtrans-72.7-34.5177.872.6-96.1000112.5M501 Q1145 A1149 A1150 A1151M501-W1147 HydrophobicContact CB-CB 4.15Å; M501-W1147 HydrophobicContact CG-CB 4.42Å; M501-W1147 HydrophobicContact SD-CB 3.43Å; M501-W1147 WeakPolarHBondContact SD-CB 3.24Å; M501-W1147 HydrophobicContact SD-CG 4.01Å; Q1145-W1147 PolarHBondContact O-N 3.43Å; Q1145-W1147 VanDerWaalsContact O-N 3.15Å; W1147-A1149 VanDerWaalsContact C-N 3.28Å; W1147-A1149 PolarHBondContact O-N 3.23Å; W1147-A1150 WeakPolarHBondContact O-CB 3.1Å; W1147-A1150 PolarHBondContact O-N 3.34Å; W1147-A1151 WeakPolarHBondContact O-CB 3.35Å; W1147-A1151 PolarHBondContact O-N 2.69Å
1148M80.9Confident70.7Confident62 Ų6253.5 Ų53.531%0.30529%0.288SS..Hα-helixtrans-64.7-39.4173.9-61.517370.400110L1144 Q1145 A1151 A1152L1144-M1148 HydrophobicContact CD1-CB 3.73Å; L1144-M1148 HydrophobicContact CD1-CE 4.22Å; L1144-M1148 HydrophobicContact CG-CB 4.24Å; Q1145-M1148 HydrophobicContact CB-CG 4.16Å; Q1145-M1148 HydrophobicContact CB-SD 4.05Å; Q1145-M1148 HydrophobicContact CG-SD 4.36Å; Q1145-M1148 WeakPolarHBondContact O-CB 3.34Å; Q1145-M1148 PolarHBondContact O-N 3.48Å; M1148-A1151 PolarHBondContact O-N 3.45Å; M1148-A1152 WeakPolarHBondContact O-CB 3.36Å; M1148-A1152 PolarHBondContact O-N 3.18Å
1149A79.8Confident73.1Confident0 Ų044 Ų440%026%0.256CS..Hα-helixtrans-60-45.517300000111.8T728 A731 I732 L1144 Q1145 P1146 W1147 A1151 A1152 M1153T728-A1149 HydrophobicContact CG2-CB 4.36Å; A731-A1149 HydrophobicContact CB-CB 3.95Å; I732-A1149 HydrophobicContact CB-CB 3.65Å; I732-A1149 HydrophobicContact CD1-CB 4.16Å; I732-A1149 HydrophobicContact CG1-CB 4.31Å; L1144-A1149 HydrophobicContact CD2-CB 3.88Å; L1144-A1149 HydrophobicContact CG-CB 4.42Å; Q1145-A1149 PolarHBondContact O-N 2.96Å; P1146-A1149 WeakPolarHBondContact O-CB 3.18Å; P1146-A1149 PolarHBondContact O-N 3.33Å; W1147-A1149 VanDerWaalsContact C-N 3.28Å; W1147-A1149 PolarHBondContact O-N 3.23Å; A1149-A1151 PolarHBondContact O-N 3.39Å; A1149-A1152 PolarHBondContact O-N 3.42Å; A1149-M1153 WeakPolarHBondContact O-CG 3.18Å; A1149-M1153 PolarHBondContact O-N 2.98Å
1150A76.6Confident75.4Confident1 Ų138.7 Ų38.71%0.00822%0.222CC..Hα-helixtrans-61.2-42.2175.700000112.8L502 F505 P1146 W1147 M1153 A1154L502-A1150 HydrophobicContact CD2-CB 3.68Å; F505-A1150 HydrophobicContact CB-CB 3.95Å; F505-A1150 HydrophobicContact CD2-CB 3.76Å; F505-A1150 HydrophobicContact CG-CB 4.22Å; P1146-A1150 PolarHBondContact O-N 3.34Å; W1147-A1150 WeakPolarHBondContact O-CB 3.1Å; W1147-A1150 PolarHBondContact O-N 3.34Å; A1150-M1153 WeakPolarHBondContact O-CB 3.32Å; A1150-M1153 PolarHBondContact O-N 2.92Å; A1150-A1154 PolarHBondContact O-N 3.07Å
1151A80.6Confident77.2Confident26 Ų2634.4 Ų34.422%0.21520%0.2CC..Hα-helixtrans-66-43.3177.500000111.9F505 W1147 M1148 A1149 M1153 A1154 M1155F505-A1151 HydrophobicContact CE1-CB 4.45Å; F505-A1151 HydrophobicContact CE2-CB 4.44Å; F505-A1151 HydrophobicContact CZ-CB 4.31Å; W1147-A1151 WeakPolarHBondContact O-CB 3.35Å; W1147-A1151 PolarHBondContact O-N 2.69Å; M1148-A1151 PolarHBondContact O-N 3.45Å; A1149-A1151 PolarHBondContact O-N 3.39Å; A1151-M1153 VanDerWaalsContact C-N 3.25Å; A1151-M1153 PolarHBondContact O-N 2.82Å; A1151-A1154 PolarHBondContact O-N 2.84Å; A1151-M1155 WeakPolarHBondContact O-CG 3.31Å; A1151-M1155 PolarHBondContact O-N 2.95Å
1152A83.8Confident79Confident25 Ų2535.7 Ų35.721%0.20720%0.198CC..Hα-helixtrans-58.4-39.8173.100000111.3I732 Y1105 M1148 A1149 M1155 S1156I732-A1152 HydrophobicContact CD1-CB 3.87Å; Y1105-A1152 HydrophobicContact CD1-CB 4.2Å; M1148-A1152 WeakPolarHBondContact O-CB 3.36Å; M1148-A1152 PolarHBondContact O-N 3.18Å; A1149-A1152 PolarHBondContact O-N 3.42Å; A1152-M1155 PolarHBondContact O-N 2.85Å; A1152-S1156 PolarHBondContact O-N 3.31Å
1153M79.7Confident80.6Confident7 Ų731.2 Ų31.23%0.03418%0.175CC..Hα-helixtrans-64.5-40.4175.4-74.7-50.8-43.200113.3I732 C734 C736 N1106 A1149 A1150 A1151 S1156 S1157I732-M1153 VanDerWaalsContact O-SD 3.38Å; C734-M1153 HydrophobicContact CB-CE 3.99Å; C734-M1153 HydrophobicContact CB-CG 4.36Å; C734-M1153 HydrophobicContact CB-SD 4.33Å; C734-M1153 WeakPolarHBondContact O-CE 3.29Å; C736-M1153 HydrophobicContact CB-CE 3.93Å; N1106-M1153 PolarHBondContact OD1-SD 3.05Å; A1149-M1153 WeakPolarHBondContact O-CG 3.18Å; A1149-M1153 PolarHBondContact O-N 2.98Å; A1150-M1153 WeakPolarHBondContact O-CB 3.32Å; A1150-M1153 PolarHBondContact O-N 2.92Å; A1151-M1153 VanDerWaalsContact C-N 3.25Å; A1151-M1153 PolarHBondContact O-N 2.82Å; M1153-S1156 PolarHBondContact O-N 2.88Å; M1153-S1156 PolarHBondContact O-OG 3.14Å; M1153-S1157 PolarHBondContact O-N 3.31Å; M1153-S1157 PolarHBondContact O-OG 3.25Å
1154A79.7Confident81.8Confident12 Ų1230.4 Ų30.410%0.09917%0.166CC..Hα-helixtrans-63.3-44.7173.600000111.5F505 A1150 A1151 S1156 S1157 V1158F505-A1154 HydrophobicContact CB-CB 4.38Å; F505-A1154 HydrophobicContact CD1-CB 4.27Å; A1150-A1154 PolarHBondContact O-N 3.07Å; A1151-A1154 PolarHBondContact O-N 2.84Å; A1154-S1156 VanDerWaalsContact C-N 3.33Å; A1154-S1156 PolarHBondContact O-N 2.81Å; A1154-S1157 WeakPolarHBondContact O-CB 3.34Å; A1154-S1157 PolarHBondContact O-N 3.31Å; A1154-S1157 VanDerWaalsContact O-N 3.15Å; A1154-V1158 WeakPolarHBondContact O-CG2 3.49Å; A1154-V1158 PolarHBondContact O-N 3Å; A1154-V1158 VanDerWaalsContact O-N 3.08Å
1155M84.8Confident82.6Confident109 Ų10931.7 Ų31.754%0.53717%0.173SC..Hα-helixtrans-62.4-36.6176.8-72.4-68.9-78.100113Y1105 A1151 A1152 S1157 V1158 S1159Y1105-M1155 HydrophobicContact CE1-CB 4.23Å; A1151-M1155 WeakPolarHBondContact O-CG 3.31Å; A1151-M1155 PolarHBondContact O-N 2.95Å; A1152-M1155 PolarHBondContact O-N 2.85Å; M1155-S1157 VanDerWaalsContact C-N 3.3Å; M1155-S1157 PolarHBondContact O-N 2.93Å; M1155-V1158 PolarHBondContact O-N 3.35Å; M1155-S1159 WeakPolarHBondContact O-CB 3.27Å; M1155-S1159 PolarHBondContact O-N 3.39Å; M1155-S1159 PolarHBondContact O-OG 3.22Å
1156S86.6Confident83.4Confident0 Ų032.6 Ų32.60%018%0.178CC..Hα-helixtrans-60.6-40.7174.482.30000111.8S737 A1152 M1153 A1154 S1159 V1160S737-S1156 WeakPolarHBondContact CB-OG 3.48Å; S737-S1156 PolarHBondContact OG-OG 2.98Å; A1152-S1156 PolarHBondContact O-N 3.31Å; M1153-S1156 PolarHBondContact O-N 2.88Å; M1153-S1156 PolarHBondContact O-OG 3.14Å; A1154-S1156 VanDerWaalsContact C-N 3.33Å; A1154-S1156 PolarHBondContact O-N 2.81Å; S1156-S1159 PolarHBondContact O-N 3.1Å; S1156-V1160 PolarHBondContact O-N 2.99Å
1157S81.8Confident84.1Confident5 Ų532.5 Ų32.54%0.03518%0.178CC..Hα-helixtrans-69.3-41.6179.2-55.70000111.4M1153 A1154 M1155 S1159 V1160 V1161M1153-S1157 PolarHBondContact O-N 3.31Å; M1153-S1157 PolarHBondContact O-OG 3.25Å; A1154-S1157 WeakPolarHBondContact O-CB 3.34Å; A1154-S1157 PolarHBondContact O-N 3.31Å; A1154-S1157 VanDerWaalsContact O-N 3.15Å; M1155-S1157 VanDerWaalsContact C-N 3.3Å; M1155-S1157 PolarHBondContact O-N 2.93Å; S1157-S1159 VanDerWaalsContact C-N 3.33Å; S1157-S1159 PolarHBondContact O-N 3.36Å; S1157-V1160 PolarHBondContact O-N 3.44Å; S1157-V1161 WeakPolarHBondContact O-CG2 3.4Å; S1157-V1161 PolarHBondContact O-N 2.6Å
1158V85.3Confident84.7Confident55 Ų5531.9 Ų31.933%0.33318%0.177SC..Hα-helixtrans-60.4-42.6174.7174.60000111.2L512 A1154 M1155 V1160 V1161 T1162L512-V1158 HydrophobicContact CD1-CG2 3.77Å; A1154-V1158 WeakPolarHBondContact O-CG2 3.49Å; A1154-V1158 PolarHBondContact O-N 3Å; A1154-V1158 VanDerWaalsContact O-N 3.08Å; M1155-V1158 PolarHBondContact O-N 3.35Å; V1158-V1160 PolarHBondContact O-N 3.14Å; V1158-V1161 PolarHBondContact O-N 3.44Å; V1158-T1162 HydrophobicContact CG1-CG2 4.13Å; V1158-T1162 WeakPolarHBondContact O-CB 3.44Å; V1158-T1162 VanDerWaalsContact O-CG2 3.3Å; V1158-T1162 WeakPolarHBondContact O-CG2 3.3Å; V1158-T1162 PolarHBondContact O-N 3.24Å; V1158-T1162 PolarHBondContact O-OG1 3.39Å
1159S89.1Confident85Confident24 Ų2435.7 Ų35.717%0.16820%0.198CC..Hα-helixtrans-60.9-43.4179.4-56.50000111.9Y1105 M1155 S1156 S1157 T1162 S1163Y1105-S1159 PolarHBondContact OH-OG 2.83Å; M1155-S1159 WeakPolarHBondContact O-CB 3.27Å; M1155-S1159 PolarHBondContact O-N 3.39Å; M1155-S1159 PolarHBondContact O-OG 3.22Å; S1156-S1159 PolarHBondContact O-N 3.1Å; S1157-S1159 VanDerWaalsContact C-N 3.33Å; S1157-S1159 PolarHBondContact O-N 3.36Å; S1159-T1162 PolarHBondContact O-OG1 3.14Å; S1159-T1162 VanDerWaalsContact O-OG1 3.06Å; S1159-S1163 VanDerWaalsContact O-CB 3.26Å; S1159-S1163 WeakPolarHBondContact O-CB 3.45Å; S1159-S1163 PolarHBondContact O-N 3.46Å; S1159-S1163 VanDerWaalsContact O-N 3.13Å
1160V88Confident85.4Confident0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-68.1-43.5177.7169.20000112.1L740 A741 N1098 F1101 A1102 S1156 S1157 V1158 S1164L740-V1160 HydrophobicContact CB-CG1 4.27Å; A741-V1160 HydrophobicContact CB-CG1 4.37Å; N1098-V1160 HydrophobicContact CB-CG1 4.05Å; N1098-V1160 HydrophobicContact CB-CG2 4.22Å; F1101-V1160 HydrophobicContact CB-CG2 4.3Å; A1102-V1160 HydrophobicContact CB-CG2 4.34Å; S1156-V1160 PolarHBondContact O-N 2.99Å; S1157-V1160 PolarHBondContact O-N 3.44Å; V1158-V1160 PolarHBondContact O-N 3.14Å; V1160-S1164 WeakPolarHBondContact O-CB 3.4Å; V1160-S1164 PolarHBondContact O-N 3.44Å; V1160-S1164 PolarHBondContact O-OG 2.64Å
1161V84.5Confident85.8Confident16 Ų1645.3 Ų45.310%0.09724%0.239CC..Hα-helixtrans-66.7-46.4-179.2169.30000111.2A516 S1157 V1158 S1164 L1165A516-V1161 HydrophobicContact CB-CG1 3.79Å; A516-V1161 HydrophobicContact CB-CG2 4.23Å; S1157-V1161 WeakPolarHBondContact O-CG2 3.4Å; S1157-V1161 PolarHBondContact O-N 2.6Å; V1158-V1161 PolarHBondContact O-N 3.44Å; V1161-S1164 PolarHBondContact O-N 2.99Å; V1161-L1165 HydrophobicContact CG1-CD1 3.91Å; V1161-L1165 HydrophobicContact CG1-CG 4.39Å; V1161-L1165 WeakPolarHBondContact O-CG 3.16Å; V1161-L1165 PolarHBondContact O-N 3.43Å
1162T87.7Confident86Confident77 Ų7746.1 Ų46.147%0.47224%0.238SC..Hα-helixtrans-62.3-44.8178.550.70000111.6V1158 S1159 S1164 L1165 M1166V1158-T1162 HydrophobicContact CG1-CG2 4.13Å; V1158-T1162 WeakPolarHBondContact O-CB 3.44Å; V1158-T1162 VanDerWaalsContact O-CG2 3.3Å; V1158-T1162 WeakPolarHBondContact O-CG2 3.3Å; V1158-T1162 PolarHBondContact O-N 3.24Å; V1158-T1162 PolarHBondContact O-OG1 3.39Å; S1159-T1162 PolarHBondContact O-OG1 3.14Å; S1159-T1162 VanDerWaalsContact O-OG1 3.06Å; T1162-S1164 VanDerWaalsContact C-N 3.32Å; T1162-S1164 PolarHBondContact O-N 2.88Å; T1162-L1165 PolarHBondContact O-N 3.4Å; T1162-M1166 WeakPolarHBondContact O-CG 3.37Å; T1162-M1166 PolarHBondContact O-N 2.88Å; T1162-M1166 VanDerWaalsContact O-N 3.15Å
1163S90.6Very high85.8Confident6 Ų645.7 Ų45.74%0.04223%0.233CC..Hα-helixtrans-58.3-41.3173.9173.50000112.7L1097 N1098 S1159 M1166L1097-S1163 WeakPolarHBondContact CD2-OG 3.24Å; N1098-S1163 WeakPolarHBondContact OD1-CB 3.3Å; N1098-S1163 PolarHBondContact OD1-OG 3.07Å; S1159-S1163 VanDerWaalsContact O-CB 3.26Å; S1159-S1163 WeakPolarHBondContact O-CB 3.45Å; S1159-S1163 PolarHBondContact O-N 3.46Å; S1159-S1163 VanDerWaalsContact O-N 3.13Å; S1163-M1166 WeakPolarHBondContact O-CB 3.48Å; S1163-M1166 PolarHBondContact O-N 3.42Å
1164S87.8Confident85.7Confident2 Ų249 Ų491%0.01425%0.254CS..Hα-helixtrans-69.8-39.1178.3-56.40000112.3T744 N1098 V1160 V1161 T1162 M1166 L1167T744-S1164 PolarHBondContact OG1-OG 3.48Å; T744-S1164 VanDerWaalsContact OG1-OG 3.1Å; N1098-S1164 PolarHBondContact ND2-OG 3.33Å; V1160-S1164 WeakPolarHBondContact O-CB 3.4Å; V1160-S1164 PolarHBondContact O-N 3.44Å; V1160-S1164 PolarHBondContact O-OG 2.64Å; V1161-S1164 PolarHBondContact O-N 2.99Å; T1162-S1164 VanDerWaalsContact C-N 3.32Å; T1162-S1164 PolarHBondContact O-N 2.88Å; S1164-M1166 PolarHBondContact O-N 3.46Å; S1164-L1167 WeakPolarHBondContact O-CB 3.36Å; S1164-L1167 PolarHBondContact O-N 2.89Å; S1164-L1167 VanDerWaalsContact O-N 3.15Å
1165L86.7Confident85.6Confident51 Ų5153.4 Ų53.427%0.26727%0.273SS..Hα-helixtrans-66.2-24.7176.6-72.7172.4000113.1V748 V1161 T1162 L1167 K1168V748-L1165 HydrophobicContact CG2-CD2 4.45Å; V1161-L1165 HydrophobicContact CG1-CD1 3.91Å; V1161-L1165 HydrophobicContact CG1-CG 4.39Å; V1161-L1165 WeakPolarHBondContact O-CG 3.16Å; V1161-L1165 PolarHBondContact O-N 3.43Å; T1162-L1165 PolarHBondContact O-N 3.4Å; L1165-L1167 PolarHBondContact O-N 2.99Å; L1165-L1167 VanDerWaalsContact O-N 3.14Å; L1165-K1168 WeakPolarHBondContact O-CB 3.49Å; L1165-K1168 PolarHBondContact O-N 3.48Å
1166M89.4Confident85.1Confident97 Ų9753 Ų5348%0.47828%0.28SS..G310 helixtrans-61.1-17.6172.8-71-174.3131.100113.4T1162 S1163 S1164 K1168 L1169T1162-M1166 WeakPolarHBondContact O-CG 3.37Å; T1162-M1166 PolarHBondContact O-N 2.88Å; T1162-M1166 VanDerWaalsContact O-N 3.15Å; S1163-M1166 WeakPolarHBondContact O-CB 3.48Å; S1163-M1166 PolarHBondContact O-N 3.42Å; S1164-M1166 PolarHBondContact O-N 3.46Å; M1166-K1168 PolarHBondContact O-N 3.47Å; M1166-L1169 WeakPolarHBondContact O-CB 3.3Å; M1166-L1169 PolarHBondContact O-N 3.03Å; M1166-L1169 VanDerWaalsContact O-N 3.15Å
1167L88.7Confident84.6Confident6 Ų656.8 Ų56.83%0.03131%0.307CS..G310 helixtrans-64.1-22.3172.3-73.5167.3000112.7A745 V748 A749 T1091 R1094 S1164 L1165 L1169 Y1170A745-L1167 HydrophobicContact CB-CD1 4.24Å; V748-L1167 HydrophobicContact CB-CB 4.5Å; V748-L1167 HydrophobicContact CG1-CB 3.72Å; A749-L1167 HydrophobicContact CB-CD1 4.43Å; T1091-L1167 HydrophobicContact CG2-CD1 4.17Å; R1094-L1167 HydrophobicContact CB-CD1 4.44Å; R1094-L1167 HydrophobicContact CG-CD1 4.47Å; R1094-L1167 HydrophobicContact CG-CD2 3.87Å; R1094-L1167 HydrophobicContact CG-CG 4.1Å; S1164-L1167 WeakPolarHBondContact O-CB 3.36Å; S1164-L1167 PolarHBondContact O-N 2.89Å; S1164-L1167 VanDerWaalsContact O-N 3.15Å; L1165-L1167 PolarHBondContact O-N 2.99Å; L1165-L1167 VanDerWaalsContact O-N 3.14Å; L1167-L1169 PolarHBondContact O-N 3.32Å; L1167-L1169 VanDerWaalsContact O-N 3.16Å; L1167-Y1170 VanDerWaalsContact O-CB 3.27Å; L1167-Y1170 WeakPolarHBondContact O-CB 3.28Å; L1167-Y1170 PolarHBondContact O-N 3.02Å
1168K85.8Confident84.5Confident88 Ų8857.8 Ų57.838%0.38331%0.312SS..G310 helixtrans-63.8-16173.1-66.8-166.3173.7-163.60113.6K519 V748 V752 L1165 M1166 Y1170K519-K1168 PolarHBondContact O-NZ 3.1Å; V748-K1168 HydrophobicContact CG1-CG 3.84Å; V752-K1168 HydrophobicContact CG2-CG 4.33Å; L1165-K1168 WeakPolarHBondContact O-CB 3.49Å; L1165-K1168 PolarHBondContact O-N 3.48Å; M1166-K1168 PolarHBondContact O-N 3.47Å; K1168-Y1170 VanDerWaalsContact C-N 3.28Å
1169L87.4Confident84Confident142 Ų14257.7 Ų57.774%0.74332%0.316SS*.G310 helixtrans-84.3-1.2175.8-59.8172000112.8M1166 L1167 K1171M1166-L1169 WeakPolarHBondContact O-CB 3.3Å; M1166-L1169 PolarHBondContact O-N 3.03Å; M1166-L1169 VanDerWaalsContact O-N 3.15Å; L1167-L1169 PolarHBondContact O-N 3.32Å; L1167-L1169 VanDerWaalsContact O-N 3.16Å; L1169-K1171 PolarHBondContact O-N 3.49Å
1170Y88.2Confident83.6Confident22 Ų2258.9 Ų58.99%0.08632%0.323CS..  trans-65.9130.9175.5178.7-96.7000110.6V752 A1083 E1086 L1087 K1090 L1167 K1168 P1173V752-Y1170 HydrophobicContact CG1-CD1 4.12Å; A1083-Y1170 PolarHBondContact O-OH 2.92Å; E1086-Y1170 HydrophobicContact CG-CE2 4.42Å; E1086-Y1170 PolarHBondContact OE2-OH 3.43Å; L1087-Y1170 HydrophobicContact CB-CE1 4.32Å; L1087-Y1170 HydrophobicContact CD1-CD1 3.96Å; L1087-Y1170 HydrophobicContact CD1-CE1 4.23Å; L1087-Y1170 HydrophobicContact CD1-CG 4.13Å; K1090-Y1170 HydrophobicContact CD-CD2 3.53Å; K1090-Y1170 HydrophobicContact CD-CE2 3.67Å; K1090-Y1170 VanDerWaalsContact NZ-CE2 3.31Å; L1167-Y1170 VanDerWaalsContact O-CB 3.27Å; L1167-Y1170 WeakPolarHBondContact O-CB 3.28Å; L1167-Y1170 PolarHBondContact O-N 3.02Å; K1168-Y1170 VanDerWaalsContact C-N 3.28Å; Y1170-P1173 WeakPolarHBondContact OH-CD 3.38Å
1171K84.8Confident83.1Confident181 Ų18162.8 Ų62.879%0.78735%0.35SS*.  trans-113135.7168.8-83.3-177.6171.7-1790109.1L1169L1169-K1171 PolarHBondContact O-N 3.49Å
1172K85.2Confident82.9Confident44 Ų4466.1 Ų66.119%0.19137%0.368CS..PPolyproline II helixtrans-57.4136172.2175.9-177.9168.3178.90109.5D1077 D1080 A1083 T1174D1077-K1172 IonicContact OD2-NZ 2.89Å; D1077-K1172 PolarHBondContact OD2-NZ 3.41Å; D1080-K1172 VanDerWaalsContact OD1-CD 3.31Å; D1080-K1172 WeakPolarHBondContact OD1-CD 3.43Å; D1080-K1172 WeakPolarHBondContact OD1-CE 3.31Å; D1080-K1172 IonicContact OD1-NZ 3.37Å; D1080-K1172 PolarHBondContact OD1-NZ 3.41Å; D1080-K1172 IonicContact OD2-NZ 2.73Å; D1080-K1172 PolarHBondContact OD2-NZ 3.33Å; D1080-K1172 VanDerWaalsContact OD2-NZ 3.08Å; A1083-K1172 HydrophobicContact CB-CG 4Å; K1172-T1174 PolarHBondContact O-N 3.02Å
1173P80.9Confident82.7Confident16 Ų1664 Ų6410%0.10435%0.351CS..PPolyproline II helixtrans-64.6123.1170.126.9-33.8000110A1083 E1086 Y1170 L1178A1083-P1173 HydrophobicContact CB-CG 4.17Å; E1086-P1173 WeakPolarHBondContact OE2-CD 3.29Å; Y1170-P1173 WeakPolarHBondContact OH-CD 3.38Å; P1173-L1178 HydrophobicContact CB-CD1 4.13Å; P1173-L1178 HydrophobicContact CB-CD2 4.4Å; P1173-L1178 HydrophobicContact CB-CG 4.18Å
1174T77.2Confident82.2Confident77 Ų7766.5 Ų66.547%0.47237%0.372SS..PPolyproline II helixtrans-85.5159.2175.551.10000111.1K1172 S1176 S1177 L1178K1172-T1174 PolarHBondContact O-N 3.02Å; T1174-S1176 PolarHBondContact O-N 2.92Å; T1174-S1176 PolarHBondContact OG1-OG 3.43Å; T1174-S1177 WeakPolarHBondContact O-CA 3.46Å; T1174-S1177 WeakPolarHBondContact O-CB 3.42Å; T1174-S1177 PolarHBondContact O-N 2.84Å; T1174-L1178 PolarHBondContact O-N 3.16Å
1175Q76.9Confident81.9Confident104 Ų10471.1 Ų71.149%0.48640%0.397SS..Hα-helixtrans-51.1-41174.8-168179.518.700111.9L968 L1079 S1177 L1178 A1179L968-Q1175 HydrophobicContact CD2-CB 4.44Å; L968-Q1175 HydrophobicContact CD2-CG 3.65Å; L1079-Q1175 HydrophobicContact CD1-CB 4Å; L1079-Q1175 HydrophobicContact CD1-CG 4.38Å; Q1175-S1177 VanDerWaalsContact C-N 3.32Å; Q1175-S1177 PolarHBondContact O-N 2.98Å; Q1175-L1178 PolarHBondContact O-N 3.05Å; Q1175-A1179 VanDerWaalsContact O-CB 3.26Å; Q1175-A1179 WeakPolarHBondContact O-CB 3.32Å; Q1175-A1179 PolarHBondContact O-N 3.47Å
1176S74.6Confident81.6Confident100 Ų10071.2 Ų71.270%0.69940%0.396SS*.Hα-helixtrans-62.8-32.7175.4550000114.2T1174T1174-S1176 PolarHBondContact O-N 2.92Å; T1174-S1176 PolarHBondContact OG1-OG 3.43Å
1177S76.3Confident81.2Confident79 Ų7968.9 Ų68.955%0.55239%0.385SS*.Hα-helixtrans-75.7-28.2178-178.70000112.5T1174 Q1175T1174-S1177 WeakPolarHBondContact O-CA 3.46Å; T1174-S1177 WeakPolarHBondContact O-CB 3.42Å; T1174-S1177 PolarHBondContact O-N 2.84Å; Q1175-S1177 VanDerWaalsContact C-N 3.32Å; Q1175-S1177 PolarHBondContact O-N 2.98Å
1178L78.7Confident80.7Confident27 Ų2771.5 Ų71.514%0.14141%0.407CS..Hα-helixtrans-93.6-28.8-177.1-69.1172.9000112.4L968 L1079 P1173 T1174 Q1175 T1180L968-L1178 HydrophobicContact CD1-CB 4.04Å; L968-L1178 HydrophobicContact CD2-CB 4Å; L968-L1178 HydrophobicContact CG-CB 4.15Å; L1079-L1178 HydrophobicContact CD2-CD1 3.96Å; P1173-L1178 HydrophobicContact CB-CD1 4.13Å; P1173-L1178 HydrophobicContact CB-CD2 4.4Å; P1173-L1178 HydrophobicContact CB-CG 4.18Å; T1174-L1178 PolarHBondContact O-N 3.16Å; Q1175-L1178 PolarHBondContact O-N 3.05Å; L1178-T1180 PolarHBondContact O-N 3.41Å; L1178-T1180 PolarHBondContact O-OG1 2.89Å
1179A76.2Confident80.4Confident52 Ų5275.7 Ų75.743%0.4342%0.421SS..  trans-69.475.5176.400000111.6Q1175Q1175-A1179 VanDerWaalsContact O-CB 3.26Å; Q1175-A1179 WeakPolarHBondContact O-CB 3.32Å; Q1175-A1179 PolarHBondContact O-N 3.47Å
1180T80.3Confident80Confident49 Ų4969.3 Ų69.330%0.30139%0.387SS..  trans-83.6160.8176.6-47.60000110.2L1178 D1182 Y1183 A1184L1178-T1180 PolarHBondContact O-N 3.41Å; L1178-T1180 PolarHBondContact O-OG1 2.89Å; T1180-D1182 HydrophobicContact CG2-CB 4.37Å; T1180-D1182 PolarHBondContact O-N 3.08Å; T1180-D1182 VanDerWaalsContact O-N 3.13Å; T1180-Y1183 WeakPolarHBondContact O-CB 3.44Å; T1180-Y1183 PolarHBondContact O-N 3.32Å; T1180-A1184 PolarHBondContact O-N 3.31Å
1181S77.7Confident79.3Confident82 Ų8277.8 Ų77.857%0.57342%0.419SS*.Hα-helixtrans-50.8-35169.4530000112.9Y1183 A1184 N1185S1181-Y1183 VanDerWaalsContact C-N 3.28Å; S1181-Y1183 PolarHBondContact O-N 3.46Å; S1181-A1184 PolarHBondContact O-N 2.95Å; S1181-N1185 PolarHBondContact O-N 2.85Å; S1181-N1185 VanDerWaalsContact O-N 3.08Å
1182D80.6Confident78.7Confident87 Ų8773.4 Ų73.447%0.46541%0.412SS..Hα-helixtrans-63.7-32.9177-63.1-16.6000112.7Y971 T1180 H1186Y971-D1182 WeakPolarHBondContact OH-CB 3.46Å; T1180-D1182 HydrophobicContact CG2-CB 4.37Å; T1180-D1182 PolarHBondContact O-N 3.08Å; T1180-D1182 VanDerWaalsContact O-N 3.13Å; D1182-H1186 WeakPolarHBondContact O-CB 3.5Å; D1182-H1186 PolarHBondContact O-N 3.44Å
1183Y82.2Confident78Confident32 Ų3273.2 Ų73.213%0.12541%0.412CS..Hα-helixtrans-70.1-40.5174.9171.6-108.1000111.3L968 Y971 T1180 S1181 N1185 H1186 L1187L968-Y1183 HydrophobicContact CB-CE1 4.47Å; L968-Y1183 HydrophobicContact CB-CE2 4.08Å; L968-Y1183 HydrophobicContact CD1-CD1 3.88Å; L968-Y1183 HydrophobicContact CD1-CD2 3.71Å; L968-Y1183 HydrophobicContact CD1-CE1 4.02Å; L968-Y1183 HydrophobicContact CD1-CE2 3.86Å; L968-Y1183 HydrophobicContact CD1-CG 3.72Å; L968-Y1183 PolarHBondContact N-OH 2.71Å; Y971-Y1183 AromaticContact CD1-CD2 3.72Å; Y971-Y1183 HydrophobicContact CD1-CD2 3.72Å; Y971-Y1183 HydrophobicContact CD1-CG 4.35Å; Y971-Y1183 HydrophobicContact CD2-CD2 4.33Å; Y971-Y1183 HydrophobicContact CE1-CD2 4.33Å; Y971-Y1183 AromaticContact CG-CD2 3.72Å; Y971-Y1183 HydrophobicContact CG-CD2 3.72Å; Y971-Y1183 HydrophobicContact CG-CE2 4.42Å; T1180-Y1183 WeakPolarHBondContact O-CB 3.44Å; T1180-Y1183 PolarHBondContact O-N 3.32Å; S1181-Y1183 VanDerWaalsContact C-N 3.28Å; S1181-Y1183 PolarHBondContact O-N 3.46Å; Y1183-N1185 VanDerWaalsContact C-N 3.33Å; Y1183-N1185 PolarHBondContact O-N 3.19Å; Y1183-H1186 WeakPolarHBondContact O-CB 3.41Å; Y1183-H1186 PolarHBondContact O-N 3.39Å; Y1183-H1186 VanDerWaalsContact O-N 3.17Å; Y1183-L1187 WeakPolarHBondContact O-CB 3.22Å; Y1183-L1187 PolarHBondContact O-N 3.43Å
1184A80.5Confident77.5Confident59 Ų5978.1 Ų78.149%0.48844%0.437SS..Hα-helixtrans-61.5-43.1175.400000111.6T1180 S1181 H1186 L1187 A1188T1180-A1184 PolarHBondContact O-N 3.31Å; S1181-A1184 PolarHBondContact O-N 2.95Å; A1184-H1186 VanDerWaalsContact C-N 3.34Å; A1184-H1186 PolarHBondContact O-N 3.07Å; A1184-L1187 PolarHBondContact O-N 3.47Å; A1184-A1188 PolarHBondContact O-N 3.1Å
1185N81.3Confident77.1Confident99 Ų9978.6 Ų78.653%0.52944%0.437SS..Hα-helixtrans-63.1-39.6173.6-70.6-23.8000112.2S1181 Y1183 A1188 R1189S1181-N1185 PolarHBondContact O-N 2.85Å; S1181-N1185 VanDerWaalsContact O-N 3.08Å; Y1183-N1185 VanDerWaalsContact C-N 3.33Å; Y1183-N1185 PolarHBondContact O-N 3.19Å; N1185-A1188 PolarHBondContact O-N 3.33Å; N1185-R1189 WeakPolarHBondContact O-CG 3.43Å; N1185-R1189 PolarHBondContact O-N 3.26Å; N1185-R1189 VanDerWaalsContact O-N 3.16Å
1186H80.9Confident76.6Confident52 Ų5279 Ų7924%0.24145%0.451CS..Hα-helixtrans-64-44.8175.4-177.9-92.4000111.7Y971 D1182 Y1183 A1184 A1188 R1189 L1190Y971-H1186 HydrophobicContact CD2-CB 3.95Å; Y971-H1186 AromaticContact CD2-CD2 3.79Å; Y971-H1186 AromaticContact CD2-CE1 3.94Å; Y971-H1186 AromaticContact CD2-CG 3.54Å; Y971-H1186 AromaticContact CD2-ND1 3.64Å; Y971-H1186 HydrophobicContact CE2-CB 3.8Å; Y971-H1186 AromaticContact CE2-CD2 3.98Å; Y971-H1186 AromaticContact CE2-CG 3.8Å; D1182-H1186 WeakPolarHBondContact O-CB 3.5Å; D1182-H1186 PolarHBondContact O-N 3.44Å; Y1183-H1186 WeakPolarHBondContact O-CB 3.41Å; Y1183-H1186 PolarHBondContact O-N 3.39Å; Y1183-H1186 VanDerWaalsContact O-N 3.17Å; A1184-H1186 VanDerWaalsContact C-N 3.34Å; A1184-H1186 PolarHBondContact O-N 3.07Å; H1186-A1188 VanDerWaalsContact C-N 3.3Å; H1186-A1188 PolarHBondContact O-N 3.18Å; H1186-R1189 WeakPolarHBondContact O-CB 3.44Å; H1186-R1189 PolarHBondContact O-N 3.03Å; H1186-R1189 VanDerWaalsContact O-N 3.1Å; H1186-L1190 WeakPolarHBondContact O-CG 3.17Å; H1186-L1190 PolarHBondContact O-N 2.88Å
1187L81.2Confident76.5Confident48 Ų4876.8 Ų76.825%0.25144%0.439SS..Hα-helixtrans-61.7-38.7178-171.568.1000111.9Y1183 A1184 R1189 L1190 R1191Y1183-L1187 WeakPolarHBondContact O-CB 3.22Å; Y1183-L1187 PolarHBondContact O-N 3.43Å; A1184-L1187 PolarHBondContact O-N 3.47Å; L1187-R1189 VanDerWaalsContact C-N 3.33Å; L1187-R1189 PolarHBondContact O-N 3.36Å; L1187-L1190 HydrophobicContact CD1-CD1 4.41Å; L1187-L1190 PolarHBondContact O-N 2.99Å; L1187-R1191 WeakPolarHBondContact O-CG 3.25Å; L1187-R1191 PolarHBondContact O-N 3.13Å
1188A78.4Confident76.7Confident61 Ų6173.6 Ų73.650%0.50442%0.416SS..Hα-helixtrans-61.3-41.6173.300000111.9A1184 N1185 H1186 R1191A1184-A1188 PolarHBondContact O-N 3.1Å; N1185-A1188 PolarHBondContact O-N 3.33Å; H1186-A1188 VanDerWaalsContact C-N 3.3Å; H1186-A1188 PolarHBondContact O-N 3.18Å; A1188-R1191 PolarHBondContact O-N 2.65Å
1189R79.7Confident76.8Confident177 Ų17774.7 Ų74.767%0.66843%0.425SS*.Hα-helixtrans-67-38175.3-68.9176.1-175179.91.1112.8N1185 H1186 L1187 R1191 S1192 M1193N1185-R1189 WeakPolarHBondContact O-CG 3.43Å; N1185-R1189 PolarHBondContact O-N 3.26Å; N1185-R1189 VanDerWaalsContact O-N 3.16Å; H1186-R1189 WeakPolarHBondContact O-CB 3.44Å; H1186-R1189 PolarHBondContact O-N 3.03Å; H1186-R1189 VanDerWaalsContact O-N 3.1Å; L1187-R1189 VanDerWaalsContact C-N 3.33Å; L1187-R1189 PolarHBondContact O-N 3.36Å; R1189-R1191 VanDerWaalsContact C-N 3.27Å; R1189-R1191 PolarHBondContact O-N 3.39Å; R1189-S1192 CarbonylContact O-C 3.59Å; R1189-S1192 PolarHBondContact O-N 3.26Å; R1189-S1192 VanDerWaalsContact O-N 3.15Å; R1189-S1192 PolarHBondContact O-OG 2.93Å; R1189-M1193 WeakPolarHBondContact O-CG 3.19Å; R1189-M1193 PolarHBondContact O-N 2.89Å
1190L78Confident77.1Confident8 Ų874.7 Ų74.74%0.04242%0.418CS..Hα-helixtrans-59.8-39.8176.9-70.8-177.4000111.7G999 H1186 L1187 S1192 M1193G999-L1190 VanDerWaalsContact CA-CD2 3.47Å; H1186-L1190 WeakPolarHBondContact O-CG 3.17Å; H1186-L1190 PolarHBondContact O-N 2.88Å; L1187-L1190 HydrophobicContact CD1-CD1 4.41Å; L1187-L1190 PolarHBondContact O-N 2.99Å; L1190-S1192 PolarHBondContact O-N 3.38Å; L1190-M1193 HydrophobicContact CD2-SD 3.34Å; L1190-M1193 WeakPolarHBondContact CD2-SD 3.23Å; L1190-M1193 WeakPolarHBondContact O-CB 3.25Å; L1190-M1193 PolarHBondContact O-N 3.31Å
1191R73.6Confident77.2Confident199 Ų19974.7 Ų74.775%0.75142%0.415SS*.Hα-helixtrans-64.5-26178.2-70.3176.6-179.8178.8-0.5113.1L1187 A1188 R1189L1187-R1191 WeakPolarHBondContact O-CG 3.25Å; L1187-R1191 PolarHBondContact O-N 3.13Å; A1188-R1191 PolarHBondContact O-N 2.65Å; R1189-R1191 VanDerWaalsContact C-N 3.27Å; R1189-R1191 PolarHBondContact O-N 3.39Å
1192S71.9Confident77Confident90 Ų9077.6 Ų77.663%0.62941%0.413SS*.THydrogen-bonded Turntrans-99.810.5177.569.60000113.8R1189 L1190R1189-S1192 CarbonylContact O-C 3.59Å; R1189-S1192 PolarHBondContact O-N 3.26Å; R1189-S1192 VanDerWaalsContact O-N 3.15Å; R1189-S1192 PolarHBondContact O-OG 2.93Å; L1190-S1192 PolarHBondContact O-N 3.38Å
1193M71Confident76.1Confident39 Ų3974.5 Ų74.519%0.19240%0.402CS..  trans-73131.6-179.8-79.8179.959.900111.8K996 R1189 L1190 A1197 I1198K996-M1193 WeakPolarHBondContact CE-O 3.49Å; K996-M1193 PolarHBondContact NZ-O 3.36Å; R1189-M1193 WeakPolarHBondContact O-CG 3.19Å; R1189-M1193 PolarHBondContact O-N 2.89Å; L1190-M1193 HydrophobicContact CD2-SD 3.34Å; L1190-M1193 WeakPolarHBondContact CD2-SD 3.23Å; L1190-M1193 WeakPolarHBondContact O-CB 3.25Å; L1190-M1193 PolarHBondContact O-N 3.31Å; M1193-A1197 HydrophobicContact CE-CB 3.88Å; M1193-I1198 HydrophobicContact CE-CG1 4.48Å
1194D70.3Confident75Confident119 Ų11976.1 Ų76.164%0.63641%0.412SS*.  trans-75.4149.2168.5-69.1-27.5000111.3S1196 A1197D1194-S1196 PolarHBondContact O-N 3.12Å; D1194-S1196 VanDerWaalsContact O-N 3.14Å; D1194-A1197 WeakPolarHBondContact O-CB 3.48Å; D1194-A1197 PolarHBondContact O-N 2.94Å; D1194-A1197 VanDerWaalsContact O-N 3.14Å
1195D68.9Low73.6Confident87 Ų8782.1 Ų82.147%0.46543%0.43SS..G310 helixtrans-63.5-22-178.3-65.2-5.5000112.2L992 K996 A1197 I1198L992-D1195 HydrophobicContact CD2-CB 4.45Å; K996-D1195 IonicContact NZ-OD1 3.78Å; K996-D1195 PolarHBondContact NZ-OD1 3.48Å; D1195-A1197 PolarHBondContact O-N 2.98Å; D1195-I1198 PolarHBondContact O-N 3.15Å
1196S65.9Low71.9Confident113 Ų11382.3 Ų82.379%0.7943%0.431SS*.G310 helixtrans-64.8-18.3176.560.70000114.1D1194 I1198D1194-S1196 PolarHBondContact O-N 3.12Å; D1194-S1196 VanDerWaalsContact O-N 3.14Å; S1196-I1198 VanDerWaalsContact C-N 3.28Å; S1196-I1198 PolarHBondContact O-N 3.26Å
1197A73.9Confident69.7Low54 Ų5484.3 Ų84.345%0.44644%0.443SS..G310 helixtrans-78.3-10.6177.800000113.6M1193 D1194 D1195M1193-A1197 HydrophobicContact CE-CB 3.88Å; D1194-A1197 WeakPolarHBondContact O-CB 3.48Å; D1194-A1197 PolarHBondContact O-N 2.94Å; D1194-A1197 VanDerWaalsContact O-N 3.14Å; D1195-A1197 PolarHBondContact O-N 2.98Å
1198I79.6Confident67.3Low12 Ų1293.4 Ų93.46%0.06247%0.474CS..SBendtrans-107.2119.9-175.7-56.3174.5000109.6L992 K996 K1001 V1003 M1193 D1195 S1196 L1200L992-I1198 HydrophobicContact CD1-CB 3.86Å; L992-I1198 HydrophobicContact CD1-CD1 3.81Å; L992-I1198 HydrophobicContact CD1-CG1 4.41Å; L992-I1198 HydrophobicContact CD1-CG2 3.78Å; K996-I1198 HydrophobicContact CB-CD1 4.01Å; K1001-I1198 CarbonylContact O-C 3.54Å; K1001-I1198 WeakPolarHBondContact O-CA 3.18Å; V1003-I1198 HydrophobicContact CB-CG2 4.49Å; V1003-I1198 HydrophobicContact CG2-CG2 3.67Å; M1193-I1198 HydrophobicContact CE-CG1 4.48Å; D1195-I1198 PolarHBondContact O-N 3.15Å; S1196-I1198 VanDerWaalsContact C-N 3.28Å; S1196-I1198 PolarHBondContact O-N 3.26Å; I1198-L1200 PolarHBondContact O-N 3.36Å
1199S81.6Confident64.9Low49 Ų49101 Ų10134%0.34349%0.489SS..EExtended strand (participates in β ladder)trans-78.899.4173.268.10000109.7K1001 T1002 V1003K1001-S1199 PolarHBondContact O-N 3.44Å; K1001-S1199 PolarHBondContact O-OG 2.86Å; T1002-S1199 WeakPolarHBondContact CA-OG 3.49Å; T1002-S1199 PolarHBondContact OG1-OG 3.34Å; V1003-S1199 PolarHBondContact N-O 3.18Å
1200L82.1Confident62.4Low52 Ų5298.2 Ų98.227%0.27249%0.494SS..EExtended strand (participates in β ladder)trans-93.5126.9177.4178.368.8000110.7V1003 A1005 I1198V1003-L1200 HydrophobicContact CB-CD1 4.09Å; V1003-L1200 HydrophobicContact CG1-CD1 3.86Å; A1005-L1200 HydrophobicContact CB-CD1 4.18Å; I1198-L1200 PolarHBondContact O-N 3.36Å
1201H81.1Confident60Low50 Ų50107.3 Ų107.323%0.23153%0.533CS..EExtended strand (participates in β ladder)trans-121.3135.1176.3-62.6-69.3000109.8V1003 F1004 A1005 D1206V1003-H1201 PolarHBondContact O-N 3.22Å; F1004-H1201 WeakPolarHBondContact CA-O 3.48Å; F1004-H1201 HydrophobicContact CD1-CB 3.43Å; F1004-H1201 VanDerWaalsContact CD1-CB 3.43Å; F1004-H1201 AromaticContact CD1-CG 3.98Å; F1004-H1201 HydrophobicContact CE1-CB 3.58Å; F1004-H1201 AromaticContact CE1-CD2 3.43Å; F1004-H1201 VanDerWaalsContact CE1-CD2 3.43Å; F1004-H1201 WeakPolarHBondContact CE1-CD2 3.09Å; F1004-H1201 AromaticContact CE1-CG 3.59Å; F1004-H1201 HydrophobicContact CG-CB 4.31Å; F1004-H1201 AromaticContact CZ-CD2 3.66Å; A1005-H1201 PolarHBondContact N-O 2.7Å; H1201-D1206 IonicContact CE1-OD2 3.85Å; H1201-D1206 IonicContact CG-OD2 2.76Å; H1201-D1206 IonicContact ND1-OD2 3.63Å; H1201-D1206 PolarHBondContact ND1-OD2 3.42Å
1202R73.7Confident57.8Low142 Ų142108 Ų10854%0.53654%0.542SS..EExtended strand (participates in β ladder)trans-108.1129177.2-62.9-174.6-175.1177.3-1.6110.4S988S988-R1202 VanDerWaalsContact OG-CZ 3.25Å; S988-R1202 PolarHBondContact OG-NE 2.91Å; S988-R1202 VanDerWaalsContact OG-NE 3.11Å; S988-R1202 PolarHBondContact OG-NH2 3.15Å
1203G62.5Low55.8Low23 Ų23108.7 Ų108.724%0.23755%0.547CS..THydrogen-bonded Turntrans57.3-153.5-177.100000113.4A1005A1005-G1203 PolarHBondContact O-N 3.37Å
1204L58.5Low53.9Low65 Ų65111.1 Ų111.134%0.3457%0.568SS.*THydrogen-bonded Turntrans-92.80.2177.3-120.599.8000113.9H1011 D1206 I1207H1011-L1204 HydrophobicContact CB-CD1 3.51Å; L1204-D1206 PolarHBondContact O-N 3.18Å; L1204-I1207 HydrophobicContact CD2-CD1 4.48Å
1205E51.5Low52Low185 Ų185112.1 Ų112.186%0.86458%0.581SS**  trans-89.85.1-158.3-66.5-163.6157.400117.5I1207E1205-I1207 VanDerWaalsContact C-N 3.28Å; E1205-I1207 PolarHBondContact O-N 3.28Å
1206D46.4Very low50.2Low104 Ų104112.1 Ų112.156%0.55659%0.588SS**  trans-87.721.7173.3-86.1-23.9000114.9H1201 L1204 R1208H1201-D1206 IonicContact CE1-OD2 3.85Å; H1201-D1206 IonicContact CG-OD2 2.76Å; H1201-D1206 IonicContact ND1-OD2 3.63Å; H1201-D1206 PolarHBondContact ND1-OD2 3.42Å; L1204-D1206 PolarHBondContact O-N 3.18Å; D1206-R1208 VanDerWaalsContact C-N 3.3Å; D1206-R1208 PolarHBondContact O-N 3.32Å
1207I34.9Very low48.5Very low94 Ų94112.2 Ų112.248%0.48259%0.588SS.*  trans-75.586.5174-54.1171.2000108.5L1204 E1205 R1209L1204-I1207 HydrophobicContact CD2-CD1 4.48Å; E1205-I1207 VanDerWaalsContact C-N 3.28Å; E1205-I1207 PolarHBondContact O-N 3.28Å; I1207-R1209 VanDerWaalsContact C-N 3.28Å; I1207-R1209 PolarHBondContact O-N 3.23Å
1208R30.4Very low46.7Very low239 Ų239113.1 Ų113.190%0.90259%0.592SS**  trans-55.1100.8153-83.5-175.3179.91802.3106.8D1206D1206-R1208 VanDerWaalsContact C-N 3.3Å; D1206-R1208 PolarHBondContact O-N 3.32Å
1209R27.2Very low44.9Very low219 Ų219119.5 Ų119.583%0.82662%0.624SS**  trans-46131.8154.9-74-179.7177.6178.5-0.2105.7I1207 K1211I1207-R1209 VanDerWaalsContact C-N 3.28Å; I1207-R1209 PolarHBondContact O-N 3.23Å; R1209-K1211 PolarHBondContact O-N 3.18Å
1210P27.4Very low43Very low120 Ų120125.1 Ų125.178%0.77965%0.645SS**  trans-52.9115.9174.521.5-29.5000106.3K1212P1210-K1212 PolarHBondContact O-N 3.36Å
1211K27.1Very low41Very low198 Ų198126.2 Ų126.286%0.86166%0.657SS**  trans-51.8120170.1-87.5-175.1175.3-178.70104.3R1209 S1213R1209-K1211 PolarHBondContact O-N 3.18Å; K1211-S1213 PolarHBondContact O-N 3.14Å
1212K28.2Very low39.1Very low213 Ų213131.7 Ų131.793%0.92668%0.68SS**  trans-57.688166.5-77.7-179.8175.3179.20106.1P1210 S1214P1210-K1212 PolarHBondContact O-N 3.36Å; K1212-S1214 PolarHBondContact O-N 3.01Å; K1212-S1214 VanDerWaalsContact O-N 3.14Å
1213S29.5Very low37.6Very low106 Ų106129.5 Ų129.574%0.74168%0.678SS**  trans-65.7110.9160.6530000104.8K1211K1211-S1213 PolarHBondContact O-N 3.14Å
1214S31.6Very low36.4Very low90 Ų90133.7 Ų133.763%0.62970%0.695SS**  trans-31.6131.3172.931.30000112.6K1212 S1216K1212-S1214 PolarHBondContact O-N 3.01Å; K1212-S1214 VanDerWaalsContact O-N 3.14Å; S1214-S1216 VanDerWaalsContact C-N 3.3Å; S1214-S1216 PolarHBondContact O-N 3.31Å
1215P29.8Very low35.6Very low139 Ų139134.7 Ų134.790%0.90371%0.707SS**  trans-80.185.3175.133.5-28.5000107.1
1216S31Very low35.1Very low88 Ų88132.6 Ų132.662%0.61570%0.7SS**  trans-123.7111171.359.70000110.1S1214S1214-S1216 VanDerWaalsContact C-N 3.3Å; S1214-S1216 PolarHBondContact O-N 3.31Å
1217S31.5Very low35.1Very low114 Ų114133.9 Ų133.980%0.79771%0.706SS**SBendtrans83125156.576.20000119.6
1218S35.8Very low35.2Very low74 Ų74139.8 Ų139.852%0.51772%0.722SS.*  trans88.261.2155.881.50000119.8Q1220 S1221S1218-Q1220 PolarHBondContact O-N 3.04Å; S1218-Q1220 VanDerWaalsContact O-N 3.16Å; S1218-S1221 PolarHBondContact O-N 3.33Å; S1218-S1221 PolarHBondContact O-OG 2.98Å; S1218-S1221 VanDerWaalsContact O-OG 3.07Å; S1218-S1221 PolarHBondContact OG-OG 3.22Å
1219I41.8Very low35.3Very low145 Ų145132.1 Ų132.174%0.74472%0.717SS**Hα-helixtrans-57.5-17.9155.5-68.5168.7000111.9I1223I1219-I1223 HydrophobicContact CG2-CD1 3.82Å
1220Q41.8Very low35.3Very low168 Ų168124.9 Ų124.979%0.78571%0.71SS**Hα-helixtrans-75.1-17.2178.3-77.1177.2-34.300115.3S1218S1218-Q1220 PolarHBondContact O-N 3.04Å; S1218-Q1220 VanDerWaalsContact O-N 3.16Å
1221S40.3Very low35.5Very low75 Ų75128.4 Ų128.452%0.52472%0.716SS.*Hα-helixtrans-87.1-30.3-176.661.10000114S1218S1218-S1221 PolarHBondContact O-N 3.33Å; S1218-S1221 PolarHBondContact O-OG 2.98Å; S1218-S1221 VanDerWaalsContact O-OG 3.07Å; S1218-S1221 PolarHBondContact OG-OG 3.22Å
1222K40.2Very low35.7Very low165 Ų165128.5 Ų128.572%0.71772%0.72SS**Hα-helixtrans-81.5-33.1178.1-81.8-179.5175.4178.70113.5L1224 S1225K1222-L1224 VanDerWaalsContact C-N 3.31Å; K1222-L1224 PolarHBondContact O-N 3.44Å; K1222-S1225 PolarHBondContact O-N 2.75Å; K1222-S1225 PolarHBondContact O-OG 3.45Å
1223I42.9Very low35.6Very low95 Ų95127.3 Ų127.349%0.48772%0.72SS.*Hα-helixtrans-70-30179-64173.9000111.1I1219 S1225 I1227I1219-I1223 HydrophobicContact CG2-CD1 3.82Å; I1223-S1225 PolarHBondContact O-N 2.71Å; I1223-I1227 HydrophobicContact CG2-CD1 3.87Å; I1223-I1227 WeakPolarHBondContact O-CD1 3.45Å; I1223-I1227 WeakPolarHBondContact O-CG1 3.28Å
1224L36Very low35.5Very low112 Ų112127.1 Ų127.159%0.58672%0.718SS**Hα-helixtrans-76.7-17.4179.5-133.387.4000114.5K1222K1222-L1224 VanDerWaalsContact C-N 3.31Å; K1222-L1224 PolarHBondContact O-N 3.44Å
1225S41.6Very low35.3Very low86 Ų86133.6 Ų133.660%0.60173%0.729SS**Hα-helixtrans-83.7-21176.268.10000113.5K1222 I1223K1222-S1225 PolarHBondContact O-N 2.75Å; K1222-S1225 PolarHBondContact O-OG 3.45Å; I1223-S1225 PolarHBondContact O-N 2.71Å
1226I42.9Very low35.2Very low140 Ų140134.2 Ų134.272%0.71873%0.725SS**Hα-helixtrans-89.3-18.7-178.2-64.7170.3000111.3
1227I44.6Very low35.1Very low132 Ų132137.5 Ų137.568%0.67773%0.73SS**SBendtrans-92.5-6-176.6-64.8171.3000112.6I1223I1223-I1227 HydrophobicContact CG2-CD1 3.87Å; I1223-I1227 WeakPolarHBondContact O-CD1 3.45Å; I1223-I1227 WeakPolarHBondContact O-CG1 3.28Å
1228R37.3Very low34.9Very low218 Ų218144.2 Ų144.282%0.82374%0.739SS**SBendtrans-109.711.9-172.8-101.4-176.4-177.6174.41.5116.8
1229G33.4Very low34.5Very low77 Ų77145.7 Ų145.779%0.79475%0.745SS**  trans-13054.3-174.600000114
1230G27.7Very low34Very low67 Ų67144.5 Ų144.569%0.69174%0.744SS**  trans-125.6105.1169.100000109.2
1231E31.6Very low33.5Very low194 Ų194146 Ų14691%0.90775%0.751SS**  trans172.7141.1144.6-97.4170.5168.500110.1
1232Q30.2Very low32.8Very low200 Ų200154 Ų15494%0.93577%0.77SS**  trans88.883.9175.2-63.8175.4-17.700118.2
1233M26.5Very low32.3Very low189 Ų189149.6 Ų149.693%0.93177%0.771SS**  trans-93118.7159.7-178.8167.172.500109.2
1234S28.2Very low31.7Very low101 Ų101153.3 Ų153.371%0.70679%0.791SS**  trans-170.3111.1164.1154.50000112.2
1235R26.3Very low31.3Very low226 Ų226155.8 Ų155.885%0.85380%0.803SS**  trans67.8136.3151.6-77177.3168.9150-3.3119.4
1236D27.2Very low30.7Very low152 Ų152157.8 Ų157.881%0.81382%0.817SS**  trans73.9114.6167.2-58.8-25.8000116.9
1237E29.6Very low30.1Very low157 Ų157155.4 Ų155.473%0.73482%0.819SS**  trans-176.991.9134.2-101.7170.3178.800111.9T1239E1237-T1239 PolarHBondContact O-N 3.16Å
1238R27Very low29.5Very low256 Ų256157.2 Ų157.297%0.96683%0.83SS**SBendtrans-78.759.9149.7-73.5-178.8-180175.21.3108.6
1239T28.4Very low29.1Very low105 Ų105152.1 Ų152.164%0.64483%0.828SS**  trans-160.748-178.1-27.90000115E1237E1237-T1239 PolarHBondContact O-N 3.16Å
1240V29.6Very low29.2Very low120 Ų120154.3 Ų154.373%0.72783%0.826SS**  trans-135.169.6172.5-168.70000111.3
1241Q31.7Very low29.5Very low200 Ų200157.9 Ų157.994%0.93583%0.829SS**SBendtrans-15619.9157.7-120.4172.8-4.100113
1242R27Very low29.7Very low243 Ų243155.4 Ų155.492%0.91782%0.822SS**SBendtrans-130.3100.4169.7-84.1-178.3172.6168.3-3.4107.2
1243G28Very low30Very low72 Ų72152.6 Ų152.674%0.74281%0.813SS**  trans158.453.6-178.100000113
1244L30.5Very low30.6Very low173 Ų173148.4 Ų148.491%0.90680%0.803SS**SBendtrans-157.747.1167.7-110.1151000109.5
1245L28.5Very low31Very low163 Ų163150.1 Ų150.185%0.85381%0.809SS**SBendtrans-146.8136.2162.1-79.2171.6000105
1246S28.1Very low31.7Very low128 Ų128148.5 Ų148.590%0.89583%0.827SS**  trans79.690.9179.562.10000118.4
1247A30Very low32Very low91 Ų91148.3 Ų148.375%0.75283%0.828SS**  trans-164.5147.5135.400000108.7
1248D32.5Very low32.1Very low169 Ų169147.8 Ų147.890%0.90483%0.833SS**  trans104.664.4172.2-52.1-9.2000115.8
1249S29.1Very low32.4Very low111 Ų111141.8 Ų141.878%0.77683%0.825SS**  trans-102132.2137.954.40000107.7
1250V36.6Very low32.6Very low124 Ų124144 Ų14475%0.75284%0.836SS**  trans165.4109.5145.8156.40000108.9
1251D33Very low32.8Very low142 Ų142145.5 Ų145.576%0.75984%0.843SS**  trans62.5147.1136.3-52.5-26.2000124.5
1252D36.3Very low32.9Very low142 Ų142141.9 Ų141.976%0.75984%0.837SS**  trans87.2100.3156.7-81.6-1000121.5
1253D36.7Very low33.3Very low140 Ų140134.6 Ų134.675%0.74983%0.831SS**  63.6118.7113.1-74.1-8.6000121.7
1254S38.7Very low33.7Very low102 Ų102139.5 Ų139.571%0.71384%0.838SS**  trans84.7106.5133.470.80000120.9
1255V35.5Very low34Very low137 Ų137136.7 Ų136.783%0.8383%0.832SS**  trans62.8142.4130.7-171.30000119.2
1256P42.5Very low34.4Very low191 Ų191134.3 Ų134.3100%1.2483%0.83SS**  cis-106.50-631.5-16.2000115.4

Retrieved 1,256 of 1,256 residues in 523 ms (Link to these results)

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