A0A093HPV2_STRCA Loading...

Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein

Could be involved in the unfolded protein response (UPR) pathway.

AlphaFold DB , UniProt , Accession A0A093HPV2, Species STRCA (Struthio camelus australis), Gene n/a, Length 406 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low57.7Low237 Ų237115 Ų115100%1.16763%0.628SS**  094.90-79117.1168.500106.6Q3M1-Q3 PolarHBondContact O-N 3.29Å
2D38.6Very low60.2Low165 Ų165105.5 Ų105.588%0.88258%0.576SS**  trans-73.7121.4-179.6-67.3-74.2000109.7S4D2-S4 PolarHBondContact O-N 3.21Å; D2-S4 VanDerWaalsContact O-N 3.1Å
3Q38.1Very low62.4Low188 Ų18899.8 Ų99.888%0.87954%0.544SS*.  trans-68.6106.8-176-143.7154.439.200107.9M1 V5M1-Q3 PolarHBondContact O-N 3.29Å; Q3-V5 VanDerWaalsContact C-N 3.32Å; Q3-V5 PolarHBondContact O-N 2.77Å
4S43.1Very low64.3Low104 Ų10492.6 Ų92.673%0.72751%0.505SS*.  trans-6393.8174.556.80000108.9D2 V6D2-S4 PolarHBondContact O-N 3.21Å; D2-S4 VanDerWaalsContact O-N 3.1Å; S4-V6 PolarHBondContact O-N 3.18Å
5V53.2Low65.8Low122 Ų12290 Ų9074%0.73949%0.487SS*.  trans-55.8110.2165177.80000105.7Q3 D7Q3-V5 VanDerWaalsContact C-N 3.32Å; Q3-V5 PolarHBondContact O-N 2.77Å; V5-D7 PolarHBondContact O-N 2.89Å
6V51Low66.9Low107 Ų10785.4 Ų85.465%0.64847%0.465SS*.  trans-66.7101.9178.1-175.60000106.2S4 H8S4-V6 PolarHBondContact O-N 3.18Å; V6-H8 PolarHBondContact O-CE1 2.69Å; V6-H8 PolarHBondContact O-N 3.5Å; V6-H8 PolarHBondContact O-ND1 3.1Å
7D60.8Low67.2Low57 Ų5784.6 Ų84.631%0.30547%0.465SS..  trans-62.5109.4176.3-87.3-41.9000108.8V5 F29V5-D7 PolarHBondContact O-N 2.89Å; D7-F29 HydrophobicContact CB-CD1 3.74Å; D7-F29 HydrophobicContact CB-CE1 4.36Å
8H69.1Low67.1Low141 Ų14187.7 Ų87.765%0.65348%0.481SS*.PPolyproline II helixtrans-73.6126.1175.2-67.166.6000108V6 V10V6-H8 PolarHBondContact O-CE1 2.69Å; V6-H8 PolarHBondContact O-N 3.5Å; V6-H8 PolarHBondContact O-ND1 3.1Å; H8-V10 PolarHBondContact O-N 3.45Å
9P78.4Confident67.1Low76 Ų7690.7 Ų90.749%0.49449%0.491SS..EExtended strand (participates in β ladder)trans-65.8129.1176.526.6-32.1000109.4N27 F29P9-N27 HydrophobicContact CB-CB 4.36Å; P9-F29 HydrophobicContact CB-CD1 4.44Å; P9-F29 HydrophobicContact CB-CE1 4.1Å
10V83.3Confident67Low21 Ų2194.2 Ų94.213%0.12750%0.502CS..EExtended strand (participates in β ladder)trans-98.8135.5177.6174.20000109.7H8 L12 C28 L30 L73 H80H8-V10 PolarHBondContact O-N 3.45Å; V10-L12 PolarHBondContact O-N 3.25Å; V10-C28 PolarHBondContact N-O 2.9Å; V10-C28 PolarHBondContact O-N 3.49Å; V10-L30 HydrophobicContact CB-CG 4.49Å; V10-L30 HydrophobicContact CG2-CD1 3.78Å; V10-L30 HydrophobicContact CG2-CD2 3.86Å; V10-L30 HydrophobicContact CG2-CG 3.55Å; V10-L73 HydrophobicContact CG1-CD1 4.31Å; V10-H80 WeakPolarHBondContact CG1-ND1 3.46Å
11T85.8Confident67.2Low47 Ų4793.3 Ų93.329%0.28849%0.492SS..EExtended strand (participates in β ladder)trans-83.3111.9-177.8-53.60000110.3T25 Y79 H80T11-T25 HydrophobicContact CG2-CG2 3.29Å; T11-Y79 WeakPolarHBondContact O-CA 3.49Å; T11-H80 PolarHBondContact O-N 2.78Å
12L88Confident69.1Low1 Ų188.2 Ų88.21%0.00547%0.474CS..EExtended strand (participates in β ladder)trans-108.6121.8-179.9-161.972.2000110.5V10 I14 I26 L37 L73 H80 V82V10-L12 PolarHBondContact O-N 3.25Å; L12-I14 HydrophobicContact CD2-CD1 3.73Å; L12-I14 HydrophobicContact CG-CD1 4.06Å; L12-I26 WeakPolarHBondContact CB-O 3.25Å; L12-I26 PolarHBondContact N-O 3.38Å; L12-I26 PolarHBondContact O-N 3.44Å; L12-L37 HydrophobicContact CD2-CD1 3.88Å; L12-L37 HydrophobicContact CD2-CD2 3.52Å; L12-L37 HydrophobicContact CD2-CG 4.33Å; L12-L73 HydrophobicContact CD1-CD1 4.07Å; L12-L73 HydrophobicContact CD1-CD2 4.11Å; L12-H80 CarbonylContact C-O 3.55Å; L12-H80 WeakPolarHBondContact CA-O 3.44Å; L12-H80 HydrophobicContact CD1-CB 3.65Å; L12-V82 HydrophobicContact CD1-CB 4.47Å; L12-V82 HydrophobicContact CD1-CG2 3.45Å; L12-V82 VanDerWaalsContact CD1-CG2 3.45Å; L12-V82 HydrophobicContact CD2-CG2 4.15Å; L12-V82 HydrophobicContact CG-CG2 3.96Å
13I88.4Confident71.2Confident31 Ų3183.7 Ų83.716%0.15945%0.45CS..EExtended strand (participates in β ladder)trans-96.6113.6178.1-56.8173.4000108.8K15 D23 Y79 H80 M81 V82I13-K15 HydrophobicContact CG2-CG 4.29Å; I13-D23 HydrophobicContact CG2-CB 4.08Å; I13-Y79 HydrophobicContact CD1-CD2 4Å; I13-Y79 HydrophobicContact CD1-CG 4.35Å; I13-H80 PolarHBondContact N-O 3.01Å; I13-M81 WeakPolarHBondContact O-CA 3.28Å; I13-V82 PolarHBondContact O-N 3.02Å
14I89.3Confident73.2Confident0 Ų077 Ų770%042%0.419CS..EExtended strand (participates in β ladder)trans-93.3117.7178.5-53.9-61.6000110.2L12 Q24 I26 L41 Y45 V82 L84L12-I14 HydrophobicContact CD2-CD1 3.73Å; L12-I14 HydrophobicContact CG-CD1 4.06Å; I14-Q24 HydrophobicContact CB-CB 4.44Å; I14-Q24 PolarHBondContact N-O 3.16Å; I14-Q24 PolarHBondContact O-N 3.07Å; I14-I26 HydrophobicContact CG1-CD1 3.72Å; I14-I26 HydrophobicContact CG1-CG1 4.41Å; I14-L41 HydrophobicContact CD1-CD1 4.34Å; I14-L41 HydrophobicContact CD1-CD2 4.03Å; I14-L41 HydrophobicContact CG1-CD2 3.72Å; I14-L41 HydrophobicContact CG2-CD2 4.41Å; I14-Y45 HydrophobicContact CG2-CD2 4.29Å; I14-Y45 HydrophobicContact CG2-CE2 4.02Å; I14-V82 CarbonylContact C-O 3.58Å; I14-V82 WeakPolarHBondContact CA-O 3.45Å; I14-V82 HydrophobicContact CD1-CB 4.08Å; I14-V82 HydrophobicContact CD1-CG1 4.47Å; I14-L84 HydrophobicContact CG2-CB 3.53Å; I14-L84 HydrophobicContact CG2-CD2 4.04Å; I14-L84 HydrophobicContact CG2-CG 4.43Å
15K86.6Confident75.2Confident53 Ų5376.1 Ų76.123%0.2341%0.409CS..EExtended strand (participates in β ladder)trans-107.6128.8175.5-60.7-152.6177-162.50111.7I13 D23 M81 V82 H83 L84I13-K15 HydrophobicContact CG2-CG 4.29Å; K15-D23 VanDerWaalsContact CE-CG 3.46Å; K15-D23 WeakPolarHBondContact CE-OD2 3.34Å; K15-D23 WeakPolarHBondContact CG-OD1 3.14Å; K15-D23 IonicContact NZ-OD2 2.93Å; K15-D23 PolarHBondContact NZ-OD2 3.09Å; K15-M81 HydrophobicContact CD-CE 4.28Å; K15-M81 HydrophobicContact CD-CG 4.03Å; K15-M81 HydrophobicContact CD-SD 3.55Å; K15-M81 VanDerWaalsContact CD-SD 3.55Å; K15-M81 WeakPolarHBondContact CE-SD 3.44Å; K15-M81 HydrophobicContact CG-CG 4.02Å; K15-M81 HydrophobicContact CG-SD 4.22Å; K15-V82 PolarHBondContact N-O 2.98Å; K15-H83 CarbonylContact O-C 3.54Å; K15-H83 VanDerWaalsContact O-CA 3.27Å; K15-H83 WeakPolarHBondContact O-CA 2.91Å; K15-L84 PolarHBondContact O-N 2.88Å
16A82.9Confident76.8Confident16 Ų1670.7 Ų70.713%0.13238%0.376CS..  trans-77.5137.7168.300000110.5N18 Q19 Y45A16-N18 PolarHBondContact O-N 3.01Å; A16-Q19 PolarHBondContact O-N 2.85Å; A16-Q19 VanDerWaalsContact O-N 3.11Å; A16-Y45 VanDerWaalsContact CB-OH 3.24Å; A16-Y45 WeakPolarHBondContact CB-OH 3.36Å
17P73.6Confident78.4Confident73 Ų7370.4 Ų70.447%0.47437%0.371SS..THydrogen-bonded Turntrans-61.9-30.717825.8-35.8000112.7Q19 L84 V85P17-Q19 VanDerWaalsContact C-N 3.31Å; P17-L84 WeakPolarHBondContact CD-O 3.47Å; P17-V85 HydrophobicContact CG-CG2 4.12Å
18N64Low79.5Confident139 Ų13967.7 Ų67.774%0.74336%0.356SS*.THydrogen-bonded Turntrans-88.42.3-178.7-65.2-9.1000113A16 K20A16-N18 PolarHBondContact O-N 3.01Å; N18-K20 HydrophobicContact CB-CB 4.38Å; N18-K20 PolarHBondContact O-N 2.85Å
19Q67.4Low80.3Confident146 Ų14664.8 Ų64.868%0.68234%0.342SS*.  trans47.715.2-173.5-152.7174.418.400115A16 P17 Y21A16-Q19 PolarHBondContact O-N 2.85Å; A16-Q19 VanDerWaalsContact O-N 3.11Å; P17-Q19 VanDerWaalsContact C-N 3.31Å; Q19-Y21 PolarHBondContact O-N 3.03Å
20K65.3Low80.6Confident160 Ų16062 Ų6270%0.69632%0.323SS*.  trans-65.9-22.5-176.2-175.1176.2179.4-178.90112.3N18N18-K20 HydrophobicContact CB-CB 4.38Å; N18-K20 PolarHBondContact O-N 2.85Å
21Y70.8Confident80.6Confident76 Ų7665 Ų6530%0.29834%0.338SS..SBendtrans-124.4142.1177.4-58.5-79.5000108Q19 Y45 P46Q19-Y21 PolarHBondContact O-N 3.03Å; Y21-Y45 WeakPolarHBondContact CB-OH 3.33Å; Y21-Y45 HydrophobicContact CD2-CE1 4Å; Y21-Y45 HydrophobicContact CE2-CE1 4.49Å; Y21-Y45 HydrophobicContact CG-CE1 4.28Å; Y21-P46 HydrophobicContact CD1-CB 4.15Å; Y21-P46 HydrophobicContact CD1-CG 3.59Å; Y21-P46 HydrophobicContact CE1-CB 4.21Å; Y21-P46 HydrophobicContact CE1-CG 4.1Å; Y21-P46 HydrophobicContact CG-CG 4.09Å
22T73.8Confident80.7Confident130 Ų13064.6 Ų64.680%0.79833%0.331SS*.PPolyproline II helixtrans-59.6149.7175.448.90000110.8Q24T22-Q24 PolarHBondContact O-N 3.41Å
23D82.3Confident80.9Confident70 Ų7066.9 Ų66.937%0.37435%0.346SS..PPolyproline II helixtrans-53.6124177.3-64.5-13.1000109.7I13 K15I13-D23 HydrophobicContact CG2-CB 4.08Å; K15-D23 VanDerWaalsContact CE-CG 3.46Å; K15-D23 WeakPolarHBondContact CE-OD2 3.34Å; K15-D23 WeakPolarHBondContact CG-OD1 3.14Å; K15-D23 IonicContact NZ-OD2 2.93Å; K15-D23 PolarHBondContact NZ-OD2 3.09Å
24Q81Confident80.9Confident46 Ų4665.4 Ų65.422%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-103.5116.5-176.7-169171.123.600110.2I14 T22 I26 V44I14-Q24 HydrophobicContact CB-CB 4.44Å; I14-Q24 PolarHBondContact N-O 3.16Å; I14-Q24 PolarHBondContact O-N 3.07Å; T22-Q24 PolarHBondContact O-N 3.41Å; Q24-I26 HydrophobicContact CG-CD1 4.42Å; Q24-I26 HydrophobicContact CG-CG1 4.12Å; Q24-V44 PolarHBondContact NE2-O 2.81Å
25T85.5Confident80.9Confident86 Ų8666.5 Ų66.553%0.52835%0.349SS..EExtended strand (participates in β ladder)trans-85.2125.5175.1-48.60000110T11T11-T25 HydrophobicContact CG2-CG2 3.29Å
26I86.2Confident81Confident9 Ų969.3 Ų69.35%0.04636%0.361CS..EExtended strand (participates in β ladder)trans-129.6130.2-178.6-60.4172.9000108.8L12 I14 Q24 L41 V44L12-I26 WeakPolarHBondContact CB-O 3.25Å; L12-I26 PolarHBondContact N-O 3.38Å; L12-I26 PolarHBondContact O-N 3.44Å; I14-I26 HydrophobicContact CG1-CD1 3.72Å; I14-I26 HydrophobicContact CG1-CG1 4.41Å; Q24-I26 HydrophobicContact CG-CD1 4.42Å; Q24-I26 HydrophobicContact CG-CG1 4.12Å; I26-L41 HydrophobicContact CD1-CD2 3.19Å; I26-L41 HydrophobicContact CD1-CG 4.41Å; I26-V44 HydrophobicContact CD1-CG2 3.7Å; I26-V44 HydrophobicContact CG1-CG2 4.39Å
27N84.9Confident81.4Confident101 Ų10168.8 Ų68.854%0.5436%0.356SS..EExtended strand (participates in β ladder)trans-85.9118.8172.7-62.3-8.2000108.4P9P9-N27 HydrophobicContact CB-CB 4.36Å
28C83.6Confident82.2Confident0 Ų066 Ų660%034%0.336CS..EExtended strand (participates in β ladder)trans-128.7153.2179.164.10000110.6V10 W32 L37 L69V10-C28 PolarHBondContact N-O 2.9Å; V10-C28 PolarHBondContact O-N 3.49Å; C28-W32 HydrophobicContact CB-CE3 4.07Å; C28-W32 HydrophobicContact CB-CZ3 4.21Å; C28-L37 HydrophobicContact CB-CD1 4.27Å; C28-L69 HydrophobicContact CB-CD2 4.13Å; C28-L69 WeakPolarHBondContact SG-CD2 3.14Å
29F85.7Confident83.3Confident79 Ų7961.7 Ų61.735%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-91.5143.4178.4-60.4-81.1000110.2D7 P9 D31 W32D7-F29 HydrophobicContact CB-CD1 3.74Å; D7-F29 HydrophobicContact CB-CE1 4.36Å; P9-F29 HydrophobicContact CB-CD1 4.44Å; P9-F29 HydrophobicContact CB-CE1 4.1Å; F29-D31 PolarHBondContact O-N 3.34Å; F29-W32 HydrophobicContact CB-CG 4.41Å; F29-W32 AromaticContact CD2-CE2 3.76Å; F29-W32 AromaticContact CD2-CZ2 3.75Å; F29-W32 HydrophobicContact CD2-CZ2 3.75Å; F29-W32 AromaticContact CD2-NE1 3.61Å; F29-W32 HydrophobicContact CE2-CZ2 4.3Å; F29-W32 WeakPolarHBondContact O-CB 3.48Å; F29-W32 PolarHBondContact O-N 2.92Å
30L84.6Confident84.3Confident19 Ų1957.6 Ų57.610%0.09930%0.298CS..THydrogen-bonded Turntrans-60.3-27.7-180-74.8166.3000112.7V10 W32 K70 L73 K75V10-L30 HydrophobicContact CB-CG 4.49Å; V10-L30 HydrophobicContact CG2-CD1 3.78Å; V10-L30 HydrophobicContact CG2-CD2 3.86Å; V10-L30 HydrophobicContact CG2-CG 3.55Å; L30-W32 PolarHBondContact O-N 3.36Å; L30-K70 HydrophobicContact CB-CB 3.96Å; L30-K70 HydrophobicContact CD2-CB 4.41Å; L30-K70 WeakPolarHBondContact O-CB 3.37Å; L30-K70 PolarHBondContact O-N 3.11Å; L30-L73 HydrophobicContact CD2-CB 4.02Å; L30-L73 HydrophobicContact CD2-CD1 4.44Å; L30-K75 HydrophobicContact CD1-CG 4.17Å
31D83.9Confident85.4Confident83 Ų8350 Ų5044%0.44427%0.265SS..THydrogen-bonded Turntrans-76.6-2.4177.1-79.4-7.1000114.4F29 K70F29-D31 PolarHBondContact O-N 3.34Å; D31-K70 IonicContact OD1-NZ 3.66Å
32W87.7Confident86.2Confident38 Ų3847.8 Ų47.814%0.14426%0.261CS..  trans-75.6145.6174.2-71.815.1000111.3C28 F29 L30 K36 H40 L69C28-W32 HydrophobicContact CB-CE3 4.07Å; C28-W32 HydrophobicContact CB-CZ3 4.21Å; F29-W32 HydrophobicContact CB-CG 4.41Å; F29-W32 AromaticContact CD2-CE2 3.76Å; F29-W32 AromaticContact CD2-CZ2 3.75Å; F29-W32 HydrophobicContact CD2-CZ2 3.75Å; F29-W32 AromaticContact CD2-NE1 3.61Å; F29-W32 HydrophobicContact CE2-CZ2 4.3Å; F29-W32 WeakPolarHBondContact O-CB 3.48Å; F29-W32 PolarHBondContact O-N 2.92Å; L30-W32 PolarHBondContact O-N 3.36Å; W32-K36 HydrophobicContact CB-CB 4.47Å; W32-K36 HydrophobicContact CB-CD 4.33Å; W32-K36 HydrophobicContact CD2-CD 3.99Å; W32-K36 HydrophobicContact CD2-CG 4.2Å; W32-K36 HydrophobicContact CE3-CG 4.4Å; W32-K36 HydrophobicContact CG-CD 3.81Å; W32-K36 HydrophobicContact CG-CG 4.32Å; W32-H40 HydrophobicContact CZ3-CB 3.99Å; W32-H40 AromaticContact CZ3-CG 3.89Å; W32-L69 HydrophobicContact CB-CD1 4.46Å; W32-L69 HydrophobicContact CB-CD2 4.45Å; W32-L69 WeakPolarHBondContact O-CB 3.35Å; W32-L69 WeakPolarHBondContact O-CD1 3.47Å; W32-L69 PolarHBondContact O-N 2.94Å
33T90.7Very high86.7Confident50 Ų5049.1 Ų49.131%0.30726%0.255SS..BIsolated β-bridgetrans-80.4155.4164.456.10000110.2G35 K36 L37 L67 Q68T33-G35 PolarHBondContact O-N 3.42Å; T33-K36 WeakPolarHBondContact O-CB 3.27Å; T33-K36 PolarHBondContact O-N 2.84Å; T33-K36 PolarHBondContact OG1-N 3.21Å; T33-L37 PolarHBondContact O-N 3.06Å; T33-L67 WeakPolarHBondContact CA-O 3.28Å; T33-Q68 HydrophobicContact CG2-CG 4.22Å
34V90.1Very high86.8Confident0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-55.5-36.2172.6173.90000110.8K36 L37 K38 L56 L63 P64 L67 L69 I72V34-K36 PolarHBondContact O-N 3.32Å; V34-L37 WeakPolarHBondContact O-CB 3.49Å; V34-L37 PolarHBondContact O-N 3.27Å; V34-K38 HydrophobicContact CG1-CD 4.5Å; V34-K38 WeakPolarHBondContact O-CG 3.28Å; V34-K38 PolarHBondContact O-N 3.02Å; V34-L56 HydrophobicContact CG1-CD1 3.86Å; V34-L63 HydrophobicContact CG1-CB 3.94Å; V34-L63 HydrophobicContact CG2-CB 4.05Å; V34-P64 VanDerWaalsContact CB-O 3.29Å; V34-P64 WeakPolarHBondContact CB-O 3.36Å; V34-L67 HydrophobicContact CG2-CB 4.26Å; V34-L67 WeakPolarHBondContact CG2-O 3.31Å; V34-L67 PolarHBondContact N-O 3.46Å; V34-L69 HydrophobicContact CG2-CD1 4.05Å; V34-I72 HydrophobicContact CG2-CD1 3.67Å
35G88.7Confident86.9Confident22 Ų2246.6 Ų46.623%0.22725%0.245CC..Hα-helixtrans-61.7-41.5174.100000113.7T33 K38 S39 D65T33-G35 PolarHBondContact O-N 3.42Å; G35-K38 PolarHBondContact O-N 3.21Å; G35-S39 PolarHBondContact O-N 3.42Å; G35-D65 PolarHBondContact N-O 2.93Å
36K89.5Confident86.5Confident113 Ų11346.3 Ų46.349%0.49125%0.245SC..Hα-helixtrans-66.6-40.5175.3-170.5174.4179.4-176.10111.2W32 T33 V34 S39 H40W32-K36 HydrophobicContact CB-CB 4.47Å; W32-K36 HydrophobicContact CB-CD 4.33Å; W32-K36 HydrophobicContact CD2-CD 3.99Å; W32-K36 HydrophobicContact CD2-CG 4.2Å; W32-K36 HydrophobicContact CE3-CG 4.4Å; W32-K36 HydrophobicContact CG-CD 3.81Å; W32-K36 HydrophobicContact CG-CG 4.32Å; T33-K36 WeakPolarHBondContact O-CB 3.27Å; T33-K36 PolarHBondContact O-N 2.84Å; T33-K36 PolarHBondContact OG1-N 3.21Å; V34-K36 PolarHBondContact O-N 3.32Å; K36-S39 PolarHBondContact O-N 2.89Å; K36-H40 PolarHBondContact O-N 2.86Å
37L89.4Confident86Confident4 Ų448.1 Ų48.12%0.02126%0.258CS..Hα-helixtrans-59.9-45.5172.8177.565.7000111.5L12 C28 T33 V34 S39 H40 L41 L56 L69L12-L37 HydrophobicContact CD2-CD1 3.88Å; L12-L37 HydrophobicContact CD2-CD2 3.52Å; L12-L37 HydrophobicContact CD2-CG 4.33Å; C28-L37 HydrophobicContact CB-CD1 4.27Å; T33-L37 PolarHBondContact O-N 3.06Å; V34-L37 WeakPolarHBondContact O-CB 3.49Å; V34-L37 PolarHBondContact O-N 3.27Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.44Å; L37-H40 WeakPolarHBondContact O-CB 3.36Å; L37-H40 PolarHBondContact O-N 3.21Å; L37-H40 VanDerWaalsContact O-N 3.13Å; L37-L41 HydrophobicContact CD1-CD1 4.47Å; L37-L41 HydrophobicContact CD1-CG 4.41Å; L37-L41 HydrophobicContact CG-CD1 4.07Å; L37-L41 HydrophobicContact CG-CG 4.45Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.38Å; L37-L41 PolarHBondContact O-N 3.43Å; L37-L56 HydrophobicContact CD2-CD1 3.74Å; L37-L56 HydrophobicContact CG-CD1 4.16Å; L37-L69 HydrophobicContact CB-CD1 4.25Å; L37-L69 HydrophobicContact CD2-CD1 4.24Å; L37-L69 HydrophobicContact CD2-CD2 4.24Å
38K90.3Very high85.8Confident14 Ų1450.7 Ų50.76%0.06126%0.264CS..Hα-helixtrans-60.5-41175.6-73-179.7-178.2-174.60112.9V34 G35 H40 L41 S42 T51 Q54 L56 D65V34-K38 HydrophobicContact CG1-CD 4.5Å; V34-K38 WeakPolarHBondContact O-CG 3.28Å; V34-K38 PolarHBondContact O-N 3.02Å; G35-K38 PolarHBondContact O-N 3.21Å; K38-H40 VanDerWaalsContact C-N 3.33Å; K38-L41 PolarHBondContact O-N 2.82Å; K38-S42 PolarHBondContact O-N 3.38Å; K38-T51 HydrophobicContact CB-CG2 4.37Å; K38-Q54 VanDerWaalsContact CB-OE1 3.28Å; K38-Q54 HydrophobicContact CD-CB 4.14Å; K38-Q54 VanDerWaalsContact CE-O 3.25Å; K38-Q54 WeakPolarHBondContact CE-O 3.16Å; K38-Q54 HydrophobicContact CG-CB 4.18Å; K38-Q54 PolarHBondContact NZ-O 3.38Å; K38-Q54 PolarHBondContact O-NE2 3.46Å; K38-Q54 PolarHBondContact O-OE1 3.15Å; K38-L56 HydrophobicContact CD-CD1 4.48Å; K38-L56 HydrophobicContact CG-CD1 3.62Å; K38-L56 HydrophobicContact CG-CG 4.21Å; K38-D65 WeakPolarHBondContact CD-OD1 3.43Å; K38-D65 VanDerWaalsContact CE-OD1 3.22Å; K38-D65 WeakPolarHBondContact CE-OD1 3.22Å; K38-D65 IonicContact NZ-OD1 2.64Å; K38-D65 PolarHBondContact NZ-OD1 3.33Å
39S88.9Confident85.8Confident50 Ų5051.2 Ų51.235%0.3527%0.268SS..Hα-helixtrans-62.6-42174.1-172.60000111.4G35 K36 L37 S42G35-S39 PolarHBondContact O-N 3.42Å; K36-S39 PolarHBondContact O-N 2.89Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.44Å; S39-S42 PolarHBondContact O-N 2.82Å; S39-S42 PolarHBondContact O-OG 3.29Å
40H88.6Confident85.7Confident60 Ų6050 Ų5028%0.27827%0.269SS..Hα-helixtrans-61.2-47.9174.8-172.3-107.1000111.4W32 K36 L37 K38 S42 K43 V44W32-H40 HydrophobicContact CZ3-CB 3.99Å; W32-H40 AromaticContact CZ3-CG 3.89Å; K36-H40 PolarHBondContact O-N 2.86Å; L37-H40 WeakPolarHBondContact O-CB 3.36Å; L37-H40 PolarHBondContact O-N 3.21Å; L37-H40 VanDerWaalsContact O-N 3.13Å; K38-H40 VanDerWaalsContact C-N 3.33Å; H40-S42 VanDerWaalsContact C-N 3.28Å; H40-S42 PolarHBondContact O-N 3.41Å; H40-K43 WeakPolarHBondContact O-CB 3.28Å; H40-K43 PolarHBondContact O-N 3.35Å; H40-V44 WeakPolarHBondContact O-CG2 3.12Å; H40-V44 PolarHBondContact O-N 2.93Å; H40-V44 VanDerWaalsContact O-N 3.1Å
41L88.1Confident85.8Confident0 Ų051.9 Ų51.90%028%0.281CS..Hα-helixtrans-57.2-37.4176.5-70.5170.2000113.1I14 I26 L37 K38 K43 V44 Y45 L56 L84I14-L41 HydrophobicContact CD1-CD1 4.34Å; I14-L41 HydrophobicContact CD1-CD2 4.03Å; I14-L41 HydrophobicContact CG1-CD2 3.72Å; I14-L41 HydrophobicContact CG2-CD2 4.41Å; I26-L41 HydrophobicContact CD1-CD2 3.19Å; I26-L41 HydrophobicContact CD1-CG 4.41Å; L37-L41 HydrophobicContact CD1-CD1 4.47Å; L37-L41 HydrophobicContact CD1-CG 4.41Å; L37-L41 HydrophobicContact CG-CD1 4.07Å; L37-L41 HydrophobicContact CG-CG 4.45Å; L37-L41 VanDerWaalsContact O-CG 3.27Å; L37-L41 WeakPolarHBondContact O-CG 3.38Å; L37-L41 PolarHBondContact O-N 3.43Å; K38-L41 PolarHBondContact O-N 2.82Å; L41-K43 PolarHBondContact O-N 3.15Å; L41-K43 VanDerWaalsContact O-N 3.12Å; L41-V44 PolarHBondContact O-N 2.81Å; L41-Y45 WeakPolarHBondContact O-CB 3.46Å; L41-Y45 PolarHBondContact O-N 3.45Å; L41-L56 HydrophobicContact CD1-CD1 4.06Å; L41-L56 HydrophobicContact CD1-CD2 3.63Å; L41-L56 HydrophobicContact CD1-CG 4.37Å; L41-L84 HydrophobicContact CD1-CD1 4.48Å
42S86.4Confident85.7Confident29 Ų2956.9 Ų56.920%0.20330%0.299CS..Hα-helixtrans-60.8-23.9177.174.60000113.6K38 S39 H40 K48 P49K38-S42 PolarHBondContact O-N 3.38Å; S39-S42 PolarHBondContact O-N 2.82Å; S39-S42 PolarHBondContact O-OG 3.29Å; H40-S42 VanDerWaalsContact C-N 3.28Å; H40-S42 PolarHBondContact O-N 3.41Å; S42-K48 WeakPolarHBondContact O-CA 3.41Å; S42-P49 WeakPolarHBondContact CB-O 3.37Å
43K85Confident85.6Confident159 Ų15956.8 Ų56.869%0.69130%0.301SS*.Hα-helixtrans-94.3-43.8-179.3-61.3177.3-178179.60112.3H40 L41H40-K43 WeakPolarHBondContact O-CB 3.28Å; H40-K43 PolarHBondContact O-N 3.35Å; L41-K43 PolarHBondContact O-N 3.15Å; L41-K43 VanDerWaalsContact O-N 3.12Å
44V84.3Confident85.5Confident56 Ų5654.5 Ų54.534%0.33929%0.287SS..Hα-helixtrans-89.3-22.9-172.6-57.90000113.5Q24 I26 H40 L41Q24-V44 PolarHBondContact NE2-O 2.81Å; I26-V44 HydrophobicContact CD1-CG2 3.7Å; I26-V44 HydrophobicContact CG1-CG2 4.39Å; H40-V44 WeakPolarHBondContact O-CG2 3.12Å; H40-V44 PolarHBondContact O-N 2.93Å; H40-V44 VanDerWaalsContact O-N 3.1Å; L41-V44 PolarHBondContact O-N 2.81Å
45Y82.1Confident85.4Confident6 Ų660.4 Ų60.42%0.02431%0.309CS..SBendtrans-82.1134.3-177.4-161.7-89.8000111.1I14 A16 Y21 L41 S47 K48 P49 L84I14-Y45 HydrophobicContact CG2-CD2 4.29Å; I14-Y45 HydrophobicContact CG2-CE2 4.02Å; A16-Y45 VanDerWaalsContact CB-OH 3.24Å; A16-Y45 WeakPolarHBondContact CB-OH 3.36Å; Y21-Y45 WeakPolarHBondContact CB-OH 3.33Å; Y21-Y45 HydrophobicContact CD2-CE1 4Å; Y21-Y45 HydrophobicContact CE2-CE1 4.49Å; Y21-Y45 HydrophobicContact CG-CE1 4.28Å; L41-Y45 WeakPolarHBondContact O-CB 3.46Å; L41-Y45 PolarHBondContact O-N 3.45Å; Y45-S47 VanDerWaalsContact C-N 3.26Å; Y45-S47 WeakPolarHBondContact CD1-OG 3.35Å; Y45-S47 VanDerWaalsContact CE1-OG 3.26Å; Y45-S47 WeakPolarHBondContact CE1-OG 3.32Å; Y45-S47 PolarHBondContact O-N 2.88Å; Y45-S47 VanDerWaalsContact O-N 3.15Å; Y45-K48 PolarHBondContact O-N 3.33Å; Y45-P49 HydrophobicContact CD1-CG 4.49Å; Y45-L84 HydrophobicContact CD1-CD2 4.29Å; Y45-L84 HydrophobicContact CD2-CD2 3.92Å; Y45-L84 HydrophobicContact CE1-CD2 4.41Å; Y45-L84 HydrophobicContact CE2-CD2 4.06Å; Y45-L84 HydrophobicContact CG-CD2 4.06Å
46P78.8Confident85.5Confident81 Ų8159.3 Ų59.353%0.52630%0.299SS..THydrogen-bonded Turntrans-60.4-29.8-17221.1-33.6000114.2Y21 K48Y21-P46 HydrophobicContact CD1-CB 4.15Å; Y21-P46 HydrophobicContact CD1-CG 3.59Å; Y21-P46 HydrophobicContact CE1-CB 4.21Å; Y21-P46 HydrophobicContact CE1-CG 4.1Å; Y21-P46 HydrophobicContact CG-CG 4.09Å; P46-K48 VanDerWaalsContact C-N 3.3Å; P46-K48 PolarHBondContact O-N 2.68Å
47S75.6Confident85.5Confident46 Ų4655.6 Ų55.632%0.32229%0.285SS..THydrogen-bonded Turntrans-83.3-1.1177.478.70000114.5Y45Y45-S47 VanDerWaalsContact C-N 3.26Å; Y45-S47 WeakPolarHBondContact CD1-OG 3.35Å; Y45-S47 VanDerWaalsContact CE1-OG 3.26Å; Y45-S47 WeakPolarHBondContact CE1-OG 3.32Å; Y45-S47 PolarHBondContact O-N 2.88Å; Y45-S47 VanDerWaalsContact O-N 3.15Å
48K80.3Confident85.5Confident156 Ų15656.8 Ų56.868%0.67829%0.29SS*.  trans37.755.8-179-62.2-178.8-179.7175.70113.9S42 Y45 P46S42-K48 WeakPolarHBondContact O-CA 3.41Å; Y45-K48 PolarHBondContact O-N 3.33Å; P46-K48 VanDerWaalsContact C-N 3.3Å; P46-K48 PolarHBondContact O-N 2.68Å
49P82.7Confident85.1Confident11 Ų1160.7 Ų60.77%0.07132%0.319CS..  trans-67.9142.7-17628.5-31.3000110.5S42 Y45 Q54 L84 C86S42-P49 WeakPolarHBondContact CB-O 3.37Å; Y45-P49 HydrophobicContact CD1-CG 4.49Å; P49-Q54 HydrophobicContact CB-CG 3.77Å; P49-Q54 HydrophobicContact CG-CG 3.73Å; P49-Q54 PolarHBondContact O-NE2 3.44Å; P49-L84 HydrophobicContact CG-CD2 4.25Å; P49-C86 HydrophobicContact CB-CB 4.41Å; P49-C86 WeakPolarHBondContact CB-SG 3.49Å
50S85Confident84.8Confident53 Ų5361.9 Ų61.937%0.37134%0.338SS..  trans-67.2145176.7950000110.4K52 D53 Q54S50-K52 PolarHBondContact O-N 2.88Å; S50-K52 VanDerWaalsContact O-N 3.07Å; S50-D53 PolarHBondContact O-N 3.38Å; S50-D53 PolarHBondContact OG-N 3.31Å; S50-D53 PolarHBondContact OG-OD2 3.33Å; S50-Q54 VanDerWaalsContact O-CG 3.3Å; S50-Q54 WeakPolarHBondContact O-CG 3.36Å; S50-Q54 PolarHBondContact O-N 2.93Å
51T85.4Confident84.7Confident58 Ų5868.4 Ų68.436%0.35636%0.36SS..THydrogen-bonded Turntrans-57.6-28.2-176.652.20000113.9K38K38-T51 HydrophobicContact CB-CG2 4.37Å
52K83.1Confident84.8Confident188 Ų18873.2 Ų73.282%0.81739%0.386SS*.THydrogen-bonded Turntrans-75.5-27.8178.3-64.1-176.8179.9179.30113.1S50S50-K52 PolarHBondContact O-N 2.88Å; S50-K52 VanDerWaalsContact O-N 3.07Å
53D84.6Confident84.9Confident36 Ų3672.4 Ų72.419%0.19338%0.379CS..THydrogen-bonded Turntrans-91.1-9.8-179.2-62.9-35000111.9S50 C86 T87S50-D53 PolarHBondContact O-N 3.38Å; S50-D53 PolarHBondContact OG-N 3.31Å; S50-D53 PolarHBondContact OG-OD2 3.33Å; D53-C86 CarbonylContact O-C 3.47Å; D53-C86 WeakPolarHBondContact O-CA 3.49Å; D53-T87 WeakPolarHBondContact CB-O 3.28Å; D53-T87 VanDerWaalsContact CG-O 3.31Å; D53-T87 PolarHBondContact O-N 2.9Å; D53-T87 PolarHBondContact O-OG1 3.41Å
54Q88.3Confident85.1Confident2 Ų267.1 Ų67.11%0.00936%0.361CS..EExtended strand (participates in β ladder)trans-84122.2178.4-68.7176.837.900111.7K38 P49 S50 L84K38-Q54 VanDerWaalsContact CB-OE1 3.28Å; K38-Q54 HydrophobicContact CD-CB 4.14Å; K38-Q54 VanDerWaalsContact CE-O 3.25Å; K38-Q54 WeakPolarHBondContact CE-O 3.16Å; K38-Q54 HydrophobicContact CG-CB 4.18Å; K38-Q54 PolarHBondContact NZ-O 3.38Å; K38-Q54 PolarHBondContact O-NE2 3.46Å; K38-Q54 PolarHBondContact O-OE1 3.15Å; P49-Q54 HydrophobicContact CB-CG 3.77Å; P49-Q54 HydrophobicContact CG-CG 3.73Å; P49-Q54 PolarHBondContact O-NE2 3.44Å; S50-Q54 VanDerWaalsContact O-CG 3.3Å; S50-Q54 WeakPolarHBondContact O-CG 3.36Å; S50-Q54 PolarHBondContact O-N 2.93Å; Q54-L84 HydrophobicContact CB-CD1 3.96Å; Q54-L84 HydrophobicContact CG-CD1 3.96Å
55R88.3Confident85.3Confident124 Ų12468.3 Ų68.347%0.46837%0.366SS..EExtended strand (participates in β ladder)trans-115.9120.7168.8-65.8-176-176.9-144.1-1108.7L62 V85R55-L62 HydrophobicContact CB-CD1 3.78Å; R55-L62 HydrophobicContact CG-CD1 4.25Å; R55-V85 HydrophobicContact CB-CB 4.18Å; R55-V85 PolarHBondContact N-O 3.32Å; R55-V85 PolarHBondContact O-N 2.95Å
56L90.1Very high85.5Confident0 Ų075.1 Ų75.10%040%0.397CS..EExtended strand (participates in β ladder)trans-99.1128.5177.7-69.9171.9000108.8V34 L37 K38 L41 L63 V82 H83 L84V34-L56 HydrophobicContact CG1-CD1 3.86Å; L37-L56 HydrophobicContact CD2-CD1 3.74Å; L37-L56 HydrophobicContact CG-CD1 4.16Å; K38-L56 HydrophobicContact CD-CD1 4.48Å; K38-L56 HydrophobicContact CG-CD1 3.62Å; K38-L56 HydrophobicContact CG-CG 4.21Å; L41-L56 HydrophobicContact CD1-CD1 4.06Å; L41-L56 HydrophobicContact CD1-CD2 3.63Å; L41-L56 HydrophobicContact CD1-CG 4.37Å; L56-L63 HydrophobicContact CB-CB 4.06Å; L56-L63 HydrophobicContact CB-CD1 3.88Å; L56-L63 WeakPolarHBondContact O-CB 3.17Å; L56-L63 PolarHBondContact O-N 2.95Å; L56-V82 HydrophobicContact CB-CG1 3.99Å; L56-V82 HydrophobicContact CD2-CG1 3.7Å; L56-V82 HydrophobicContact CG-CG1 4.39Å; L56-H83 WeakPolarHBondContact CA-O 3.41Å; L56-L84 HydrophobicContact CD2-CB 4.23Å; L56-L84 HydrophobicContact CD2-CD1 3.74Å; L56-L84 HydrophobicContact CG-CD1 4.45Å
57V90.4Very high86Confident34 Ų3473.9 Ų73.921%0.20639%0.386CS..EExtended strand (participates in β ladder)trans-122.1121.3179.8-178.60000108.8R61 L62 H83 V85V57-R61 CarbonylContact C-O 3.58Å; V57-R61 VanDerWaalsContact CA-O 3.28Å; V57-R61 WeakPolarHBondContact CA-O 3.34Å; V57-L62 HydrophobicContact CG2-CD1 4.15Å; V57-H83 HydrophobicContact CB-CB 4.26Å; V57-H83 PolarHBondContact N-O 3.23Å; V57-H83 PolarHBondContact O-N 3.01Å; V57-V85 HydrophobicContact CG2-CG2 4.49Å
58Y89.3Confident86.7Confident30 Ų3075 Ų7512%0.11839%0.386CS..EExtended strand (participates in β ladder)trans-121.2125.1178.7177.8-106.4000109.7G60 R61 I72 L73 H80 M81 V82Y58-G60 PolarHBondContact O-N 3.44Å; Y58-G60 VanDerWaalsContact O-N 3.08Å; Y58-R61 PolarHBondContact N-O 3.26Å; Y58-R61 PolarHBondContact O-N 3.32Å; Y58-I72 HydrophobicContact CD1-CG2 3.42Å; Y58-I72 VanDerWaalsContact CD1-CG2 3.42Å; Y58-I72 HydrophobicContact CE1-CG2 3.94Å; Y58-I72 WeakPolarHBondContact CE1-O 3.39Å; Y58-I72 HydrophobicContact CG-CG2 4.06Å; Y58-L73 HydrophobicContact CD2-CD2 4.25Å; Y58-L73 HydrophobicContact CE1-CD2 4.39Å; Y58-L73 HydrophobicContact CE2-CD2 3.98Å; Y58-H80 HydrophobicContact CE2-CB 3.93Å; Y58-H80 AromaticContact CZ-CD2 3.99Å; Y58-H80 PolarHBondContact OH-CD2 3.39Å; Y58-M81 VanDerWaalsContact CD2-O 3.26Å; Y58-M81 WeakPolarHBondContact CD2-O 3.4Å; Y58-V82 HydrophobicContact CD2-CG2 3.75Å; Y58-V82 HydrophobicContact CG-CG2 4.4Å
59S82.6Confident87Confident96 Ų9667.8 Ų67.867%0.67136%0.355SS*.THydrogen-bonded Turntrans46.241.3-178-58.10000113.7R61S59-R61 VanDerWaalsContact C-N 3.34Å; S59-R61 PolarHBondContact O-N 3.36Å
60G82.9Confident87.1Confident74 Ų7471.8 Ų71.876%0.76337%0.371SS*.THydrogen-bonded Turntrans81.5-0.8-179.400000116Y58Y58-G60 PolarHBondContact O-N 3.44Å; Y58-G60 VanDerWaalsContact O-N 3.08Å
61R86Confident87Confident197 Ų19774.5 Ų74.574%0.74338%0.382SS*.EExtended strand (participates in β ladder)trans-104.3133.9178.9-61.7-176.2-178.3-171.3-0.1111.6V57 Y58 S59V57-R61 CarbonylContact C-O 3.58Å; V57-R61 VanDerWaalsContact CA-O 3.28Å; V57-R61 WeakPolarHBondContact CA-O 3.34Å; Y58-R61 PolarHBondContact N-O 3.26Å; Y58-R61 PolarHBondContact O-N 3.32Å; S59-R61 VanDerWaalsContact C-N 3.34Å; S59-R61 PolarHBondContact O-N 3.36Å
62L88.9Confident86.8Confident102 Ų10273 Ų7353%0.53437%0.371SS..EExtended strand (participates in β ladder)trans-72.4128.1171.7-176.572.3000109.6R55 V57 P64R55-L62 HydrophobicContact CB-CD1 3.78Å; R55-L62 HydrophobicContact CG-CD1 4.25Å; V57-L62 HydrophobicContact CG2-CD1 4.15Å; L62-P64 WeakPolarHBondContact O-CD 3.48Å
63L89.4Confident86.8Confident11 Ų1164.3 Ų64.36%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-91.9114.6-179.1-64167000110.3V34 L56 L67 I72 V82V34-L63 HydrophobicContact CG1-CB 3.94Å; V34-L63 HydrophobicContact CG2-CB 4.05Å; L56-L63 HydrophobicContact CB-CB 4.06Å; L56-L63 HydrophobicContact CB-CD1 3.88Å; L56-L63 WeakPolarHBondContact O-CB 3.17Å; L56-L63 PolarHBondContact O-N 2.95Å; L63-L67 HydrophobicContact CD2-CD2 4.47Å; L63-I72 HydrophobicContact CD2-CB 4.22Å; L63-I72 HydrophobicContact CD2-CD1 3.49Å; L63-I72 VanDerWaalsContact CD2-CD1 3.49Å; L63-I72 HydrophobicContact CD2-CG1 3.74Å; L63-I72 HydrophobicContact CD2-CG2 3.43Å; L63-I72 VanDerWaalsContact CD2-CG2 3.43Å; L63-V82 HydrophobicContact CD1-CG1 4.24Å
64P89.1Confident86.3Confident49 Ų4971.1 Ų71.132%0.31836%0.357SS..  trans-82.2153.8176.534.2-33.7000111.5V34 L62 H66 L67V34-P64 VanDerWaalsContact CB-O 3.29Å; V34-P64 WeakPolarHBondContact CB-O 3.36Å; L62-P64 WeakPolarHBondContact O-CD 3.48Å; P64-H66 VanDerWaalsContact C-N 3.25Å; P64-H66 VanDerWaalsContact CB-CE1 3.47Å; P64-H66 WeakPolarHBondContact CB-CE1 3.48Å; P64-H66 PolarHBondContact O-N 3.44Å; P64-H66 VanDerWaalsContact O-N 3.15Å; P64-L67 HydrophobicContact CG-CB 4.09Å; P64-L67 HydrophobicContact CG-CD2 4.43Å; P64-L67 WeakPolarHBondContact O-CB 3.34Å; P64-L67 PolarHBondContact O-N 3.08Å; P64-L67 VanDerWaalsContact O-N 3.15Å
65D88.6Confident85.3Confident81 Ų8179.8 Ų79.843%0.43339%0.394SS..THydrogen-bonded Turntrans-62.9-26.8-168.9-64.8-2.2000114.8G35 K38 L67G35-D65 PolarHBondContact N-O 2.93Å; K38-D65 WeakPolarHBondContact CD-OD1 3.43Å; K38-D65 VanDerWaalsContact CE-OD1 3.22Å; K38-D65 WeakPolarHBondContact CE-OD1 3.22Å; K38-D65 IonicContact NZ-OD1 2.64Å; K38-D65 PolarHBondContact NZ-OD1 3.33Å; D65-L67 VanDerWaalsContact C-N 3.35Å
66H87Confident84Confident149 Ų14982.3 Ų82.369%0.6941%0.411SS*.THydrogen-bonded Turntrans-81-14.8-177.761.6-93.7000113.5P64P64-H66 VanDerWaalsContact C-N 3.25Å; P64-H66 VanDerWaalsContact CB-CE1 3.47Å; P64-H66 WeakPolarHBondContact CB-CE1 3.48Å; P64-H66 PolarHBondContact O-N 3.44Å; P64-H66 VanDerWaalsContact O-N 3.15Å
67L88.9Confident83.1Confident55 Ų5585.8 Ų85.829%0.28843%0.43SS..SBendtrans-76142-176.7-163.358.1000110.2T33 V34 L63 P64 D65 D71 I72T33-L67 WeakPolarHBondContact CA-O 3.28Å; V34-L67 HydrophobicContact CG2-CB 4.26Å; V34-L67 WeakPolarHBondContact CG2-O 3.31Å; V34-L67 PolarHBondContact N-O 3.46Å; L63-L67 HydrophobicContact CD2-CD2 4.47Å; P64-L67 HydrophobicContact CG-CB 4.09Å; P64-L67 HydrophobicContact CG-CD2 4.43Å; P64-L67 WeakPolarHBondContact O-CB 3.34Å; P64-L67 PolarHBondContact O-N 3.08Å; P64-L67 VanDerWaalsContact O-N 3.15Å; D65-L67 VanDerWaalsContact C-N 3.35Å; L67-D71 HydrophobicContact CD1-CB 4.32Å; L67-I72 HydrophobicContact CB-CD1 3.98Å; L67-I72 HydrophobicContact CD2-CD1 3.51Å; L67-I72 HydrophobicContact CD2-CG1 3.3Å; L67-I72 HydrophobicContact CG-CD1 3.49Å; L67-I72 VanDerWaalsContact CG-CD1 3.49Å; L67-I72 HydrophobicContact CG-CG1 3.59Å
68Q90.1Very high82.3Confident69 Ų6992.4 Ų92.432%0.32246%0.459SS..BIsolated β-bridgetrans-90.1139.6177.8-64.1-1722.400110.1T33 K70 D71 I72T33-Q68 HydrophobicContact CG2-CG 4.22Å; Q68-K70 HydrophobicContact CB-CG 4.13Å; Q68-K70 PolarHBondContact O-N 2.7Å; Q68-D71 PolarHBondContact O-N 2.9Å; Q68-I72 WeakPolarHBondContact O-CD1 3.36Å
69L86.1Confident81.9Confident4 Ų498.2 Ų98.22%0.02148%0.481CS..Hα-helixtrans-57.5-35.7-177.6-93.967.3000111.5C28 W32 V34 L37 D71 I72 L73C28-L69 HydrophobicContact CB-CD2 4.13Å; C28-L69 WeakPolarHBondContact SG-CD2 3.14Å; W32-L69 HydrophobicContact CB-CD1 4.46Å; W32-L69 HydrophobicContact CB-CD2 4.45Å; W32-L69 WeakPolarHBondContact O-CB 3.35Å; W32-L69 WeakPolarHBondContact O-CD1 3.47Å; W32-L69 PolarHBondContact O-N 2.94Å; V34-L69 HydrophobicContact CG2-CD1 4.05Å; L37-L69 HydrophobicContact CB-CD1 4.25Å; L37-L69 HydrophobicContact CD2-CD1 4.24Å; L37-L69 HydrophobicContact CD2-CD2 4.24Å; L69-D71 VanDerWaalsContact C-N 3.25Å; L69-D71 PolarHBondContact O-N 3.36Å; L69-I72 PolarHBondContact O-N 3.04Å; L69-I72 VanDerWaalsContact O-N 3.11Å; L69-L73 HydrophobicContact CB-CD1 4.02Å; L69-L73 HydrophobicContact CB-CG 4.43Å; L69-L73 HydrophobicContact CD2-CD1 3.96Å; L69-L73 HydrophobicContact CG-CD1 4Å; L69-L73 VanDerWaalsContact O-CB 3.31Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 2.89Å
70K84.4Confident82Confident96 Ų9693.8 Ų93.842%0.41745%0.45SS..Hα-helixtrans-61-26.8176.271.3-178.1175.3-148.80115.6L30 D31 Q68 I72L30-K70 HydrophobicContact CB-CB 3.96Å; L30-K70 HydrophobicContact CD2-CB 4.41Å; L30-K70 WeakPolarHBondContact O-CB 3.37Å; L30-K70 PolarHBondContact O-N 3.11Å; D31-K70 IonicContact OD1-NZ 3.66Å; Q68-K70 HydrophobicContact CB-CG 4.13Å; Q68-K70 PolarHBondContact O-N 2.7Å; K70-I72 VanDerWaalsContact C-N 3.31Å
71D83.2Confident82.3Confident110 Ų11093.7 Ų93.759%0.58843%0.43SS*.Hα-helixtrans-82.7-17.8179.7-58.7-30.9000111.4L67 Q68 L69L67-D71 HydrophobicContact CD1-CB 4.32Å; Q68-D71 PolarHBondContact O-N 2.9Å; L69-D71 VanDerWaalsContact C-N 3.25Å; L69-D71 PolarHBondContact O-N 3.36Å
72I82.6Confident82.5Confident26 Ų2684.3 Ų84.313%0.13340%0.395CS..Hα-helixtrans-103.6-48.4-174.7-59149.2000111V34 Y58 L63 L67 Q68 L69 K70 R74V34-I72 HydrophobicContact CG2-CD1 3.67Å; Y58-I72 HydrophobicContact CD1-CG2 3.42Å; Y58-I72 VanDerWaalsContact CD1-CG2 3.42Å; Y58-I72 HydrophobicContact CE1-CG2 3.94Å; Y58-I72 WeakPolarHBondContact CE1-O 3.39Å; Y58-I72 HydrophobicContact CG-CG2 4.06Å; L63-I72 HydrophobicContact CD2-CB 4.22Å; L63-I72 HydrophobicContact CD2-CD1 3.49Å; L63-I72 VanDerWaalsContact CD2-CD1 3.49Å; L63-I72 HydrophobicContact CD2-CG1 3.74Å; L63-I72 HydrophobicContact CD2-CG2 3.43Å; L63-I72 VanDerWaalsContact CD2-CG2 3.43Å; L67-I72 HydrophobicContact CB-CD1 3.98Å; L67-I72 HydrophobicContact CD2-CD1 3.51Å; L67-I72 HydrophobicContact CD2-CG1 3.3Å; L67-I72 HydrophobicContact CG-CD1 3.49Å; L67-I72 VanDerWaalsContact CG-CD1 3.49Å; L67-I72 HydrophobicContact CG-CG1 3.59Å; Q68-I72 WeakPolarHBondContact O-CD1 3.36Å; L69-I72 PolarHBondContact O-N 3.04Å; L69-I72 VanDerWaalsContact O-N 3.11Å; K70-I72 VanDerWaalsContact C-N 3.31Å; I72-R74 PolarHBondContact O-N 2.91Å
73L81.8Confident82.5Confident5 Ų583.1 Ų83.13%0.02639%0.387CS..SBendtrans-85.9110.7-174.5-56.4-176.8000107.8V10 L12 L30 Y58 L69 K75 H80V10-L73 HydrophobicContact CG1-CD1 4.31Å; L12-L73 HydrophobicContact CD1-CD1 4.07Å; L12-L73 HydrophobicContact CD1-CD2 4.11Å; L30-L73 HydrophobicContact CD2-CB 4.02Å; L30-L73 HydrophobicContact CD2-CD1 4.44Å; Y58-L73 HydrophobicContact CD2-CD2 4.25Å; Y58-L73 HydrophobicContact CE1-CD2 4.39Å; Y58-L73 HydrophobicContact CE2-CD2 3.98Å; L69-L73 HydrophobicContact CB-CD1 4.02Å; L69-L73 HydrophobicContact CB-CG 4.43Å; L69-L73 HydrophobicContact CD2-CD1 3.96Å; L69-L73 HydrophobicContact CG-CD1 4Å; L69-L73 VanDerWaalsContact O-CB 3.31Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 2.89Å; L73-K75 PolarHBondContact O-N 3.06Å; L73-H80 HydrophobicContact CD2-CB 3.74Å
74R75.3Confident82.5Confident180 Ų18082.7 Ų82.768%0.67939%0.385SS*.  trans-65.7128.8176.8-68.6-176.2175.5-178.7-2.1108.7I72 Q76 D77 H80I72-R74 PolarHBondContact O-N 2.91Å; R74-Q76 PolarHBondContact O-N 3.29Å; R74-D77 PolarHBondContact O-N 2.94Å; R74-H80 PolarHBondContact O-CE1 2.93Å; R74-H80 PolarHBondContact O-NE2 3.38Å
75K66.3Low82.3Confident183 Ų18382.7 Ų82.780%0.79638%0.384SS*.THydrogen-bonded Turntrans-59-13.7179-85.4-172.8175.5-174.80115L30 L73L30-K75 HydrophobicContact CD1-CG 4.17Å; L73-K75 PolarHBondContact O-N 3.06Å
76Q61.4Low82Confident177 Ų17781.5 Ų81.583%0.82738%0.381SS*.THydrogen-bonded Turntrans-81.8-21.4-176.6-73.8170.1-17.900113.3R74R74-Q76 PolarHBondContact O-N 3.29Å
77D71.9Confident81.5Confident74 Ų7476.5 Ų76.540%0.39636%0.361SS..  trans-93.5130.7-178.4-43.9-45.2000110.3R74 Y79 H80R74-D77 PolarHBondContact O-N 2.94Å; D77-Y79 VanDerWaalsContact C-N 3.3Å; D77-H80 WeakPolarHBondContact CB-NE2 3.39Å; D77-H80 PolarHBondContact O-CE1 3.5Å; D77-H80 IonicContact OD2-CD2 3.74Å; D77-H80 IonicContact OD2-NE2 3.56Å
78E73Confident79.9Confident173 Ų17379.4 Ų79.481%0.80839%0.386SS*.SBendtrans-71.2-26.9177.8-171.1176.3178.100112.3
79Y79.4Confident78.2Confident151 Ų15185.9 Ų85.959%0.59241%0.407SS*.EExtended strand (participates in β ladder)trans-137.3139.1176.662.4-89000111.9T11 I13 D77T11-Y79 WeakPolarHBondContact O-CA 3.49Å; I13-Y79 HydrophobicContact CD1-CD2 4Å; I13-Y79 HydrophobicContact CD1-CG 4.35Å; D77-Y79 VanDerWaalsContact C-N 3.3Å
80H86.8Confident76.3Confident3 Ų391.5 Ų91.51%0.01444%0.442CS..EExtended strand (participates in β ladder)trans-118.6129.7178.3-61.7100.2000110.8V10 T11 L12 I13 Y58 L73 R74 D77V10-H80 WeakPolarHBondContact CG1-ND1 3.46Å; T11-H80 PolarHBondContact O-N 2.78Å; L12-H80 CarbonylContact C-O 3.55Å; L12-H80 WeakPolarHBondContact CA-O 3.44Å; L12-H80 HydrophobicContact CD1-CB 3.65Å; I13-H80 PolarHBondContact N-O 3.01Å; Y58-H80 HydrophobicContact CE2-CB 3.93Å; Y58-H80 AromaticContact CZ-CD2 3.99Å; Y58-H80 PolarHBondContact OH-CD2 3.39Å; L73-H80 HydrophobicContact CD2-CB 3.74Å; R74-H80 PolarHBondContact O-CE1 2.93Å; R74-H80 PolarHBondContact O-NE2 3.38Å; D77-H80 WeakPolarHBondContact CB-NE2 3.39Å; D77-H80 PolarHBondContact O-CE1 3.5Å; D77-H80 IonicContact OD2-CD2 3.74Å; D77-H80 IonicContact OD2-NE2 3.56Å
81M87.4Confident74.2Confident72 Ų7292.4 Ų92.436%0.35546%0.457SS..EExtended strand (participates in β ladder)trans-97.9120.3179.9-171.4179.5-58.900111.5I13 K15 Y58I13-M81 WeakPolarHBondContact O-CA 3.28Å; K15-M81 HydrophobicContact CD-CE 4.28Å; K15-M81 HydrophobicContact CD-CG 4.03Å; K15-M81 HydrophobicContact CD-SD 3.55Å; K15-M81 VanDerWaalsContact CD-SD 3.55Å; K15-M81 WeakPolarHBondContact CE-SD 3.44Å; K15-M81 HydrophobicContact CG-CG 4.02Å; K15-M81 HydrophobicContact CG-SD 4.22Å; Y58-M81 VanDerWaalsContact CD2-O 3.26Å; Y58-M81 WeakPolarHBondContact CD2-O 3.4Å
82V90.1Very high72.4Confident1 Ų193.1 Ų93.11%0.00647%0.468CS..EExtended strand (participates in β ladder)trans-121.2131.6178.9-179.60000110.1L12 I13 I14 K15 L56 Y58 L63L12-V82 HydrophobicContact CD1-CB 4.47Å; L12-V82 HydrophobicContact CD1-CG2 3.45Å; L12-V82 VanDerWaalsContact CD1-CG2 3.45Å; L12-V82 HydrophobicContact CD2-CG2 4.15Å; L12-V82 HydrophobicContact CG-CG2 3.96Å; I13-V82 PolarHBondContact O-N 3.02Å; I14-V82 CarbonylContact C-O 3.58Å; I14-V82 WeakPolarHBondContact CA-O 3.45Å; I14-V82 HydrophobicContact CD1-CB 4.08Å; I14-V82 HydrophobicContact CD1-CG1 4.47Å; K15-V82 PolarHBondContact N-O 2.98Å; L56-V82 HydrophobicContact CB-CG1 3.99Å; L56-V82 HydrophobicContact CD2-CG1 3.7Å; L56-V82 HydrophobicContact CG-CG1 4.39Å; Y58-V82 HydrophobicContact CD2-CG2 3.75Å; Y58-V82 HydrophobicContact CG-CG2 4.4Å; L63-V82 HydrophobicContact CD1-CG1 4.24Å
83H89.6Confident70.3Confident77 Ų7797.4 Ų97.436%0.35650%0.5SS..EExtended strand (participates in β ladder)trans-88.1125.4173.9-66.6-91.1000110.7K15 L56 V57K15-H83 CarbonylContact O-C 3.54Å; K15-H83 VanDerWaalsContact O-CA 3.27Å; K15-H83 WeakPolarHBondContact O-CA 2.91Å; L56-H83 WeakPolarHBondContact CA-O 3.41Å; V57-H83 HydrophobicContact CB-CB 4.26Å; V57-H83 PolarHBondContact N-O 3.23Å; V57-H83 PolarHBondContact O-N 3.01Å
84L88.6Confident68.3Low2 Ų2101.9 Ų101.91%0.0153%0.532CS..EExtended strand (participates in β ladder)trans-99104.4175.5175.462.8000110.2I14 K15 P17 L41 Y45 P49 Q54 L56I14-L84 HydrophobicContact CG2-CB 3.53Å; I14-L84 HydrophobicContact CG2-CD2 4.04Å; I14-L84 HydrophobicContact CG2-CG 4.43Å; K15-L84 PolarHBondContact O-N 2.88Å; P17-L84 WeakPolarHBondContact CD-O 3.47Å; L41-L84 HydrophobicContact CD1-CD1 4.48Å; Y45-L84 HydrophobicContact CD1-CD2 4.29Å; Y45-L84 HydrophobicContact CD2-CD2 3.92Å; Y45-L84 HydrophobicContact CE1-CD2 4.41Å; Y45-L84 HydrophobicContact CE2-CD2 4.06Å; Y45-L84 HydrophobicContact CG-CD2 4.06Å; P49-L84 HydrophobicContact CG-CD2 4.25Å; Q54-L84 HydrophobicContact CB-CD1 3.96Å; Q54-L84 HydrophobicContact CG-CD1 3.96Å; L56-L84 HydrophobicContact CD2-CB 4.23Å; L56-L84 HydrophobicContact CD2-CD1 3.74Å; L56-L84 HydrophobicContact CG-CD1 4.45Å
85V86.8Confident66.8Low49 Ų4998.8 Ų98.830%0.29754%0.535SS..EExtended strand (participates in β ladder)trans-95.4119.8174.5-175.20000109P17 R55 V57P17-V85 HydrophobicContact CG-CG2 4.12Å; R55-V85 HydrophobicContact CB-CB 4.18Å; R55-V85 PolarHBondContact N-O 3.32Å; R55-V85 PolarHBondContact O-N 2.95Å; V57-V85 HydrophobicContact CG2-CG2 4.49Å
86C82.4Confident65.6Low55 Ų5599.9 Ų99.937%0.37254%0.54SS..EExtended strand (participates in β ladder)trans-95.7106.7174.8-60.30000108.9P49 D53 S88P49-C86 HydrophobicContact CB-CB 4.41Å; P49-C86 WeakPolarHBondContact CB-SG 3.49Å; D53-C86 CarbonylContact O-C 3.47Å; D53-C86 WeakPolarHBondContact O-CA 3.49Å; C86-S88 PolarHBondContact O-N 3.03Å
87T74.9Confident64.3Low45 Ų4597.1 Ų97.128%0.27654%0.538SS..  trans-80.698.716954.90000107.8D53 R89D53-T87 WeakPolarHBondContact CB-O 3.28Å; D53-T87 VanDerWaalsContact CG-O 3.31Å; D53-T87 PolarHBondContact O-N 2.9Å; D53-T87 PolarHBondContact O-OG1 3.41Å; T87-R89 PolarHBondContact O-N 3.5Å
88S56.5Low62.6Low115 Ų11598.4 Ų98.480%0.80455%0.552SS**  trans-63.990169.550.30000108.8C86 T90C86-S88 PolarHBondContact O-N 3.03Å; S88-T90 PolarHBondContact O-N 3.2Å
89R54.3Low60.8Low205 Ų20596.3 Ų96.377%0.77455%0.552SS**  trans-68.9125.7156.8-101.8179.8175.7-104.40.7105.7T87T87-R89 PolarHBondContact O-N 3.5Å
90T45.4Very low58.7Low123 Ų12394.1 Ų94.176%0.75556%0.558SS**  trans-39.1142.7156.538.30000110.1S88S88-T90 PolarHBondContact O-N 3.2Å
91P40.8Very low56.7Low114 Ų114106 Ų10674%0.7460%0.603SS**  trans-53.9152.6-171.420.1-31.9000112.5
92P44.8Very low54.1Low126 Ų126111.8 Ų111.882%0.81863%0.629SS**  trans-60.1142.8-174.926-34000111.6S94P92-S94 PolarHBondContact O-N 3.36Å
93S38.4Very low51.4Low115 Ų115114.5 Ų114.580%0.80466%0.657SS**  trans-23.5126.4172.1-168.20000114
94S39.9Very low48.8Very low99 Ų99120 Ų12069%0.69268%0.683SS**PPolyproline II helixtrans-50.2146.7162.444.10000110.8P92P92-S94 PolarHBondContact O-N 3.36Å
95P45Very low46.3Very low115 Ų115123.8 Ų123.875%0.74772%0.722SS**PPolyproline II helixtrans-67.9136.2-179.328.1-31.8000109.4P97P95-P97 WeakPolarHBondContact O-CD 3.29Å
96K39.3Very low43.7Very low207 Ų207126.4 Ų126.490%0.975%0.748SS**PPolyproline II helixtrans-57.1116.5170.2-161.2175.2-168.4169.10109.1
97P35.7Very low41.3Very low119 Ų119128.8 Ų128.877%0.77377%0.766SS**PPolyproline II helixtrans-90.4116.8162.94.317.4000107.5P95P95-P97 WeakPolarHBondContact O-CD 3.29Å
98S34.8Very low39.2Very low101 Ų101132.8 Ų132.871%0.70679%0.791SS**PPolyproline II helixtrans-49.8138.3156.643.60000110.8
99T36.6Very low38Very low129 Ų129132.6 Ų132.679%0.79179%0.789SS**  trans35.6114.5145-147.70000118
100S35.3Very low37Very low104 Ų104127.7 Ų127.773%0.72779%0.786SS**  155.6126.8110.460.80000109.8E102S100-E102 PolarHBondContact O-N 2.8Å
101R43.1Very low36.4Very low253 Ų253126.6 Ų126.696%0.95578%0.784SS**  trans-81106.9-176.9-180174.7159.3150-4.5107.9
102E33.5Very low36Very low193 Ų193126.3 Ų126.390%0.90278%0.784SS**  trans-110.7104.2165.8-97179.3141.900109.1S100S100-E102 PolarHBondContact O-N 2.8Å
103G33Very low35.5Very low58 Ų58124.9 Ų124.960%0.59878%0.778SS**  trans-125123.5161.100000107.5
104H36.6Very low35.3Very low194 Ų194124 Ų12490%0.89877%0.771SS**  trans80.4110.6164.4-60.2-69.7000118.5
105G35.3Very low35Very low81 Ų81126.7 Ų126.784%0.83578%0.777SS**  trans-70.6141.6158.600000111.7
106A32.3Very low34.4Very low103 Ų103127.8 Ų127.885%0.85178%0.777SS**  trans-177.3147.1134.200000108.1
107S32Very low34.2Very low106 Ų106128.1 Ų128.174%0.74177%0.772SS**  trans-72.8158.5-162.2-46.60000115.9
108T30.4Very low34.1Very low129 Ų129127.7 Ų127.779%0.79177%0.772SS**  trans70.2117.514246.10000120.8
109S31.7Very low34Very low111 Ų111126.3 Ų126.378%0.77677%0.774SS**  122.6128.8121.270.30000117.9
110S32.5Very low33.7Very low102 Ų102125.4 Ų125.471%0.71377%0.773SS**  trans75.1121.614457.40000122.1
111S33.9Very low33.6Very low100 Ų100125.9 Ų125.970%0.69977%0.771SS**  87.7126.8122.4610000120.7
112S32.6Very low33.1Very low107 Ų107120.1 Ų120.175%0.74877%0.765SS**  trans63.7140.9139.855.30000117.1
113S33.7Very low33Very low97 Ų97115.7 Ų115.768%0.67876%0.761SS**  cis-178.5164.213350000107.3
114S33.2Very low32.9Very low96 Ų96118.4 Ų118.467%0.67177%0.771SS**  trans58.6107.5145.653.20000118.2
115L33.5Very low33.5Very low156 Ų156114.7 Ų114.782%0.81776%0.764SS**  71.113979-86.4160.8000115.1
116D32.9Very low33.2Very low138 Ų138116 Ų11674%0.73876%0.755SS**  trans88.7147.6160-56.6-45.3000119.4
117R36.2Very low33Very low213 Ų213117.8 Ų117.880%0.80475%0.751SS**  cis-179.2127.5-30.7-179.8166.1-179.7-112.14.3104.4
118S33.2Very low33.1Very low111 Ų111120.8 Ų120.878%0.77675%0.753SS**  trans55145.8146.4-58.50000123.9
119G31.4Very low33Very low72 Ų72124 Ų12474%0.74276%0.759SS**  trans102.3100.614100000115
120S31.9Very low33Very low109 Ų109123 Ų12376%0.76276%0.757SS**  95.7146.670.2-163.20000113.9
121T31.9Very low32.8Very low114 Ų114123.4 Ų123.470%0.69976%0.76SS**  trans83.4106.3159.1620000122.4
122T32.5Very low32.5Very low133 Ų133123.7 Ų123.782%0.81676%0.762SS**  51.3126.3123.459.70000122.2
123A31.7Very low32.3Very low100 Ų100125.1 Ų125.183%0.82677%0.767SS**  165.1135.9111.300000112.3
124S30.9Very low32.1Very low114 Ų114125 Ų12580%0.79777%0.766SS**  trans-77.9175.9159.1-49.10000109.4
125P48.9Very low32Very low116 Ų116127.5 Ų127.575%0.75377%0.771SS**  cis-152174.932.638.1-12.5000119.3
126T29.4Very low31.8Very low108 Ų108126.3 Ų126.366%0.66377%0.765SS**  trans33.5133.5141.1-40.50000124.3
127N29.3Very low31.6Very low142 Ų142125.4 Ų125.476%0.75977%0.765SS**  161.7113.3126.9-78.9-14.8000109.4
128Q33.3Very low31.2Very low169 Ų169120.8 Ų120.879%0.7977%0.766SS**  48.8112.683.4-74.6-16682.700115.4
129E28.2Very low31.3Very low196 Ų196120.2 Ų120.292%0.91677%0.768SS**  168.7157.2110-91.8-173.9111.600113.2
130A31Very low31.6Very low89 Ų89125 Ų12574%0.73678%0.776SS**  trans-105.4161.2-171.100000112.6
131S28.5Very low31.9Very low111 Ų111123.1 Ų123.178%0.77677%0.774SS**  trans130114.3139.1-58.40000116.4
132S29Very low32.1Very low106 Ų106126.1 Ų126.174%0.74178%0.782SS**  trans24.2132.613855.70000121.7
133T27.5Very low32.3Very low138 Ų138131.3 Ų131.385%0.84779%0.787SS**  -177.414997.7-64.20000111.4
134S29Very low32.4Very low94 Ų94135.1 Ų135.166%0.65779%0.787SS**  trans-69.3151.8-172.8-168.70000115.9
135L30.7Very low32.4Very low149 Ų149141 Ų14178%0.7879%0.792SS**  173.4132.8111.1-88.1155.5000113.4
136N30.3Very low31.5Very low130 Ų130143.2 Ų143.270%0.69580%0.797SS**  trans92.3112.2143.8-78.219.5000123.4
137T29Very low31.9Very low120 Ų120145.1 Ų145.174%0.73680%0.803SS**  94.5115.8127.337.50000121.2
138S28Very low32.5Very low116 Ų116143.9 Ų143.981%0.81180%0.802SS**  trans88.7100.6141.4-55.10000118
139A34.6Very low32.5Very low99 Ų99144.2 Ų144.282%0.81880%0.804SS**  172.8128.998.800000112.2
140D38.5Very low32.6Very low173 Ų173138.7 Ų138.793%0.92579%0.792SS**  trans90.9127.2139.2-130.7-4.3000122.6
141G38.1Very low32.6Very low69 Ų69142.8 Ų142.871%0.71180%0.796SS**  trans95.776.8147.900000120.1
142M36.5Very low32.6Very low176 Ų176142.2 Ų142.287%0.86779%0.792SS**  trans-61.2137.4179.7-69.6-174.3-162.700116.4
143R35.7Very low32.9Very low243 Ų243144.5 Ų144.592%0.91780%0.796SS**  trans-80.7132.9155.3-66.5177.2171.9-174.3-3.4109.7
144H33.6Very low33.6Very low179 Ų179142.9 Ų142.983%0.82979%0.787SS**  trans-95.9114.7156.7-84.9-127.8000109.1
145R32.1Very low33.9Very low239 Ų239145.1 Ų145.190%0.90279%0.79SS**  trans-98.9117.3170.6-176.2179.9-173.2156.61106.7
146N29.2Very low34.2Very low162 Ų162144.4 Ų144.487%0.86679%0.794SS**  trans-136.9127.6159.3-103.9-22.8000109.9
147L37.4Very low34.3Very low148 Ų148143 Ų14378%0.77580%0.795SS**  trans-70.1145.1170.8-167.968.2000109.1
148P42.3Very low34.7Very low115 Ų115145.3 Ų145.375%0.74780%0.797SS**  -138.4133.5104.320.60.2000110.6
149Q33.8Very low35Very low177 Ų177148.9 Ų148.983%0.82780%0.801SS**  42.29183.6-156177.6900114.4
150A30.6Very low35.2Very low80 Ų80153.1 Ų153.166%0.66180%0.801SS**  trans-176.9130.1147.400000113.2
151Q30.8Very low35.4Very low175 Ų175150.1 Ų150.182%0.81879%0.791SS**  trans56.6114.2131.8-67.4164.1-2200118.6
152S28.8Very low35.5Very low99 Ų99157.2 Ų157.269%0.69280%0.798SS**  54.8118.459.877.30000116.4
153N34Very low35.6Very low154 Ų154156.7 Ų156.782%0.82480%0.798SS**  trans85.4165.8163.2-66.5-8.7000118.8
154P43.8Very low36.1Very low104 Ų104154 Ų15468%0.67580%0.798SS**  -135.7175.5-50.837.5-21000113.2
155I33.5Very low36.5Very low141 Ų141154 Ų15472%0.72380%0.798SS**  trans3.4130.2151.5-63.7132.3000118.9
156P37.1Very low36.5Very low133 Ų133145.6 Ų145.686%0.86479%0.786SS**  trans-84.9108.1158.817.9-2.4000110.4
157S33.3Very low37Very low102 Ų102145.8 Ų145.871%0.71379%0.787SS**  trans-92.1141.2166.7510000111Q159S157-Q159 PolarHBondContact O-N 3.11Å
158H37.2Very low36.9Very low168 Ų168146 Ų14678%0.77879%0.787SS**  trans-40.6123.9179.8-65.5-94.4000115.2
159Q34.2Very low36.8Very low191 Ų191143.1 Ų143.189%0.89378%0.779SS**  trans-104.1121.3167.9-167.6166.43400109.1S157S157-Q159 PolarHBondContact O-N 3.11Å
160F38.2Very low36.8Very low188 Ų188141.5 Ų141.583%0.82578%0.776SS**  trans-76.1142.3168.1-74.4-86.2000110.1Y162F160-Y162 PolarHBondContact O-N 2.94Å
161P43.9Very low37.1Very low109 Ų109146.3 Ų146.371%0.70879%0.785SS**  trans-95.796.8-177.834.7-27.5000110.7
162Y39Very low37.2Very low219 Ų219147.3 Ų147.386%0.85979%0.787SS**  trans-150.5100.5158.4-81-76.1000109.5F160F160-Y162 PolarHBondContact O-N 2.94Å
163L38.8Very low37.5Very low164 Ų164148.5 Ų148.586%0.85980%0.795SS**  167.8113.9126.7-88.7159.9000109.7
164M46.3Very low37.7Very low187 Ų187144.6 Ų144.692%0.92179%0.792SS**  trans-73.2111.1162.4-178.8169.312200107.4
165Q42Very low37.3Very low178 Ų178149.4 Ų149.483%0.83281%0.805SS**  trans-155.7102.1164.9-155.492.838.500112.7
166G33.4Very low37.8Very low63 Ų63146.1 Ų146.165%0.64981%0.806SS**  trans58.287.513500000119.2I168G166-I168 PolarHBondContact O-N 3.15Å
167N40Very low38.1Very low167 Ų167146.6 Ų146.689%0.89381%0.807SS**  trans-66.3104.1153.2-176.539.2000109.4
168I35.3Very low38.4Very low151 Ų151147.2 Ų147.277%0.77481%0.808SS**  trans-125.298.3162.8-57.4168000106.1G166G166-I168 PolarHBondContact O-N 3.15Å
169G39.5Very low39Very low56 Ų56144.5 Ų144.558%0.57782%0.815SS**  trans-61.8135161.900000108.9
170N33.7Very low39.4Very low143 Ų143138.3 Ų138.377%0.76580%0.802SS**  trans-146.9116.5148.7-105.12.4000109.7
171Q37.7Very low39.5Very low181 Ų181138.7 Ų138.785%0.84680%0.804SS**  trans-71.2132.3169.6-52.2175.339.900107.7
172F31.4Very low39.3Very low195 Ų195138.7 Ų138.786%0.85580%0.804SS**  trans-139.4105.7153.7-89.8-78000109.3
173S34.7Very low39.6Very low124 Ų124136.7 Ų136.787%0.86780%0.804SS**  trans-73.9136.6163.7-740000110.1
174G38.4Very low40Very low73 Ų73137.8 Ų137.875%0.75380%0.798SS**  trans99.6105.9150.100000116.8
175Q35.7Very low40.4Very low204 Ų204134.8 Ų134.895%0.95379%0.793SS**  179.6133.6122-97.4-172.810.700109.5
176G44.8Very low41.3Very low73 Ų73129.8 Ų129.875%0.75378%0.782SS**  trans-91.8153.8-175.800000114.3
177V42.7Very low42.6Very low143 Ų143132.8 Ų132.887%0.86778%0.777SS**  trans-156.5162.9155.4-126.80000108.7
178P40.7Very low44.4Very low114 Ų114127.6 Ų127.674%0.7475%0.754SS**  trans-92.7159.8-133.412.412.2000113.1G180P178-G180 PolarHBondContact O-N 3.32Å
179A48.2Very low46.5Very low111 Ų111125.4 Ų125.492%0.91775%0.75SS**SBendtrans-57.8119.4171.800000111.1
180G43.8Very low48.6Very low61 Ų61129.2 Ų129.263%0.62976%0.756SS**  trans-174-6.517900000118.7P178P178-G180 PolarHBondContact O-N 3.32Å
181F39.4Very low50.9Low197 Ų197126.4 Ų126.486%0.86474%0.738SS**  trans-131.6129.5174.3-67.5-79.8000110M183F181-M183 PolarHBondContact O-N 3.3Å
182P41.1Very low53Low109 Ų109122.8 Ų122.871%0.70872%0.723SS**  trans-67.593.8165.528.7-30.1000106.9Y184P182-Y184 PolarHBondContact O-N 3.01Å
183M45.1Very low55.7Low176 Ų176118.1 Ų118.187%0.86771%0.706SS**  trans-64.392.1161.4-163.684.1179.600104.9F181F181-M183 PolarHBondContact O-N 3.3Å
184Y46.6Very low58.4Low188 Ų188119 Ų11974%0.73769%0.69SS**  trans-47.9136.3161.3-79.1-92.4000106.3P182 A186P182-Y184 PolarHBondContact O-N 3.01Å; Y184-A186 PolarHBondContact O-N 2.94Å
185P55Low60.8Low123 Ų123120.9 Ų120.980%0.79967%0.674SS**  trans-65.484.1165.427.9-29.4000105.5F187P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 PolarHBondContact O-N 3.48Å
186A60.3Low63.3Low73 Ų73116.5 Ų116.560%0.60365%0.654SS**  trans-68.698.9-178.200000105.3Y184Y184-A186 PolarHBondContact O-N 2.94Å
187F60.7Low65.4Low126 Ų126119.6 Ų119.655%0.55365%0.649SS**SBendtrans72.7120.4178.6-60.1-89.3000114.7P185 Q191P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 PolarHBondContact O-N 3.48Å; F187-Q191 VanDerWaalsContact CD1-CD 3.46Å; F187-Q191 HydrophobicContact CD1-CG 3.98Å
188S78.9Confident67.6Low59 Ų59116.5 Ų116.541%0.41363%0.626SS.*  trans-59.2139.8164.867.30000108.9L190 Q191 M192S188-L190 PolarHBondContact O-N 3.31Å; S188-L190 VanDerWaalsContact O-N 3.07Å; S188-Q191 WeakPolarHBondContact O-CA 3.08Å; S188-Q191 WeakPolarHBondContact O-CB 3.11Å; S188-Q191 PolarHBondContact O-N 3.28Å; S188-Q191 VanDerWaalsContact OG-CB 3.32Å; S188-Q191 WeakPolarHBondContact OG-CB 3.31Å; S188-Q191 PolarHBondContact OG-N 3.15Å; S188-M192 PolarHBondContact O-N 3.42Å
189P78.7Confident70.2Confident104 Ų104118.3 Ų118.368%0.67562%0.619SS**Hα-helixtrans-56.9-27.417917.2-28.8000112.7M192 I193P189-M192 PolarHBondContact O-N 2.84Å; P189-I193 PolarHBondContact O-N 3.49Å
190L83.6Confident72.4Confident137 Ų137116.1 Ų116.172%0.71760%0.601SS**Hα-helixtrans-64.1-39.6171.1-79.8154.7000113S188 I193 W194S188-L190 PolarHBondContact O-N 3.31Å; S188-L190 VanDerWaalsContact O-N 3.07Å; L190-I193 PolarHBondContact O-N 3.48Å; L190-W194 PolarHBondContact O-N 3.39Å
191Q80.7Confident74.6Confident83 Ų83122 Ų12239%0.38860%0.604SS.*Hα-helixtrans-69.8-35.8177.9-168.5175.610.300111.7F187 S188 W194 W195F187-Q191 VanDerWaalsContact CD1-CD 3.46Å; F187-Q191 HydrophobicContact CD1-CG 3.98Å; S188-Q191 WeakPolarHBondContact O-CA 3.08Å; S188-Q191 WeakPolarHBondContact O-CB 3.11Å; S188-Q191 PolarHBondContact O-N 3.28Å; S188-Q191 VanDerWaalsContact OG-CB 3.32Å; S188-Q191 WeakPolarHBondContact OG-CB 3.31Å; S188-Q191 PolarHBondContact OG-N 3.15Å; Q191-W194 PolarHBondContact O-N 2.76Å; Q191-W195 PolarHBondContact O-N 3.44Å
192M83.4Confident77Confident106 Ų106117.8 Ų117.852%0.52259%0.587SS.*Hα-helixtrans-65.5-40.9172.5-166.771.1171.900111.3S188 P189 W194 W195 Q196S188-M192 PolarHBondContact O-N 3.42Å; P189-M192 PolarHBondContact O-N 2.84Å; M192-W194 VanDerWaalsContact C-N 3.33Å; M192-W194 PolarHBondContact O-N 2.72Å; M192-W195 PolarHBondContact O-N 3.45Å; M192-Q196 WeakPolarHBondContact O-CB 3.21Å; M192-Q196 VanDerWaalsContact O-CG 3.31Å; M192-Q196 WeakPolarHBondContact O-CG 3.31Å; M192-Q196 PolarHBondContact O-N 3.42Å
193I87.9Confident79.4Confident97 Ų97120.7 Ų120.750%0.49759%0.585SS.*Hα-helixtrans-60.4-43173.5-110.176.4000111.3P189 L190 Q196 Q197P189-I193 PolarHBondContact O-N 3.49Å; L190-I193 PolarHBondContact O-N 3.48Å; I193-Q196 PolarHBondContact O-N 2.97Å; I193-Q197 WeakPolarHBondContact O-CB 3.09Å; I193-Q197 PolarHBondContact O-N 3.49Å
194W90.1Very high81.7Confident143 Ų143119 Ų11954%0.54257%0.57SS.*Hα-helixtrans-64.6-45.1-179.3-177.189.9000111.5L190 Q191 M192 Q197 M198L190-W194 PolarHBondContact O-N 3.39Å; Q191-W194 PolarHBondContact O-N 2.76Å; M192-W194 VanDerWaalsContact C-N 3.33Å; M192-W194 PolarHBondContact O-N 2.72Å; W194-Q197 PolarHBondContact O-N 2.85Å; W194-M198 WeakPolarHBondContact O-CB 3.28Å; W194-M198 PolarHBondContact O-N 3.5Å
195W89.1Confident83.7Confident111 Ų111115.5 Ų115.542%0.4256%0.562SS.*Hα-helixtrans-62.1-45.2175.7-88.7111.8000111.9Q191 M192 Q197 M198 Y199Q191-W195 PolarHBondContact O-N 3.44Å; M192-W195 PolarHBondContact O-N 3.45Å; W195-Q197 VanDerWaalsContact C-N 3.31Å; W195-Q197 PolarHBondContact O-N 3.34Å; W195-M198 PolarHBondContact O-N 3.36Å; W195-Y199 AromaticContact CE3-CD2 3.9Å; W195-Y199 HydrophobicContact CE3-CD2 3.9Å; W195-Y199 AromaticContact CE3-CE2 3.58Å; W195-Y199 HydrophobicContact CE3-CE2 3.58Å; W195-Y199 HydrophobicContact CZ3-CD2 4.49Å; W195-Y199 AromaticContact CZ3-CE2 3.87Å; W195-Y199 HydrophobicContact CZ3-CE2 3.87Å; W195-Y199 WeakPolarHBondContact O-CD2 3.44Å; W195-Y199 PolarHBondContact O-N 2.76Å
196Q89.1Confident85.3Confident113 Ų113116.5 Ų116.553%0.52856%0.556SS.*Hα-helixtrans-59.8-41.9176.3-74.2-177.535.900112M192 I193 Y199 A200M192-Q196 WeakPolarHBondContact O-CB 3.21Å; M192-Q196 VanDerWaalsContact O-CG 3.31Å; M192-Q196 WeakPolarHBondContact O-CG 3.31Å; M192-Q196 PolarHBondContact O-N 3.42Å; I193-Q196 PolarHBondContact O-N 2.97Å; Q196-Y199 PolarHBondContact O-N 2.81Å; Q196-A200 WeakPolarHBondContact O-CB 3.24Å; Q196-A200 PolarHBondContact O-N 3.44Å
197Q89.3Confident86.8Confident138 Ų138119.8 Ų119.865%0.64555%0.554SS**Hα-helixtrans-66.5-39.6178.6-169.6173.10.700112.1I193 W194 W195 R201I193-Q197 WeakPolarHBondContact O-CB 3.09Å; I193-Q197 PolarHBondContact O-N 3.49Å; W194-Q197 PolarHBondContact O-N 2.85Å; W195-Q197 VanDerWaalsContact C-N 3.31Å; W195-Q197 PolarHBondContact O-N 3.34Å; Q197-R201 WeakPolarHBondContact O-CB 3.32Å; Q197-R201 PolarHBondContact O-N 2.73Å; Q197-R201 VanDerWaalsContact O-N 3.11Å
198M88.6Confident88.1Confident78 Ų78118 Ų11838%0.38455%0.547SS..Hα-helixtrans-64.3-47176-170.264.6173.800111.3W194 W195 R201 Q202W194-M198 WeakPolarHBondContact O-CB 3.28Å; W194-M198 PolarHBondContact O-N 3.5Å; W195-M198 PolarHBondContact O-N 3.36Å; M198-R201 PolarHBondContact O-N 3.25Å; M198-Q202 WeakPolarHBondContact O-CG 3.34Å; M198-Q202 PolarHBondContact O-N 2.8Å
199Y94.9Very high88.4Confident152 Ų152117.8 Ų117.860%0.59655%0.549SS*.Hα-helixtrans-62.5-45178-93.9-78.8000112.6W195 Q196 R201 Q202 Y203W195-Y199 AromaticContact CE3-CD2 3.9Å; W195-Y199 HydrophobicContact CE3-CD2 3.9Å; W195-Y199 AromaticContact CE3-CE2 3.58Å; W195-Y199 HydrophobicContact CE3-CE2 3.58Å; W195-Y199 HydrophobicContact CZ3-CD2 4.49Å; W195-Y199 AromaticContact CZ3-CE2 3.87Å; W195-Y199 HydrophobicContact CZ3-CE2 3.87Å; W195-Y199 WeakPolarHBondContact O-CD2 3.44Å; W195-Y199 PolarHBondContact O-N 2.76Å; Q196-Y199 PolarHBondContact O-N 2.81Å; Y199-R201 VanDerWaalsContact C-N 3.28Å; Y199-R201 PolarHBondContact O-N 2.83Å; Y199-Q202 PolarHBondContact O-N 3.37Å; Y199-Y203 PolarHBondContact O-N 3.34Å
200A94.5Very high88.6Confident65 Ų65115 Ų11554%0.53754%0.535SS..Hα-helixtrans-60.3-40.1177.300000111.6Q196 Y204Q196-A200 WeakPolarHBondContact O-CB 3.24Å; Q196-A200 PolarHBondContact O-N 3.44Å; A200-Y204 WeakPolarHBondContact O-CB 3.49Å; A200-Y204 PolarHBondContact O-N 2.96Å
201R90.5Very high88.6Confident183 Ų183111.1 Ų111.169%0.69152%0.517SS*.Hα-helixtrans-69.3-41179.4-162.3-178.4-176-165.40.3112.3Q197 M198 Y199 Y204 M205Q197-R201 WeakPolarHBondContact O-CB 3.32Å; Q197-R201 PolarHBondContact O-N 2.73Å; Q197-R201 VanDerWaalsContact O-N 3.11Å; M198-R201 PolarHBondContact O-N 3.25Å; Y199-R201 VanDerWaalsContact C-N 3.28Å; Y199-R201 PolarHBondContact O-N 2.83Å; R201-Y204 PolarHBondContact O-N 3.47Å; R201-M205 WeakPolarHBondContact O-CG 3.39Å; R201-M205 PolarHBondContact O-N 2.9Å
202Q88.7Confident88.3Confident109 Ų109110.6 Ų110.651%0.50952%0.522SS..Hα-helixtrans-64-45177.1-74.6-168.8-2400111.9M198 Y199 Y204 M205 Q206M198-Q202 WeakPolarHBondContact O-CG 3.34Å; M198-Q202 PolarHBondContact O-N 2.8Å; Y199-Q202 PolarHBondContact O-N 3.37Å; Q202-Y204 VanDerWaalsContact C-N 3.33Å; Q202-Y204 PolarHBondContact O-N 3.46Å; Q202-M205 PolarHBondContact O-N 3.37Å; Q202-Q206 PolarHBondContact O-N 2.78Å
203Y91.1Very high87.7Confident170 Ų170108.3 Ų108.367%0.66752%0.52SS*.Hα-helixtrans-62.7-41.5177.8-168.4-95.2000111.9Y199 Q206 Y207Y199-Y203 PolarHBondContact O-N 3.34Å; Y203-Q206 PolarHBondContact O-N 3.16Å; Y203-Y207 WeakPolarHBondContact O-CB 3.34Å; Y203-Y207 PolarHBondContact O-N 2.88Å
204Y93.8Very high86.5Confident140 Ų140109.5 Ų109.555%0.54952%0.524SS..Hα-helixtrans-64.4-43177.8-171.6-102.9000112.7A200 R201 Q202 Y207 Q208A200-Y204 WeakPolarHBondContact O-CB 3.49Å; A200-Y204 PolarHBondContact O-N 2.96Å; R201-Y204 PolarHBondContact O-N 3.47Å; Q202-Y204 VanDerWaalsContact C-N 3.33Å; Q202-Y204 PolarHBondContact O-N 3.46Å; Y204-Y207 PolarHBondContact O-N 3.26Å; Y204-Q208 HydrophobicContact CD1-CG 4.34Å; Y204-Q208 VanDerWaalsContact CE1-CD 3.46Å; Y204-Q208 HydrophobicContact CE1-CG 4.06Å; Y204-Q208 WeakPolarHBondContact O-CG 3.21Å; Y204-Q208 PolarHBondContact O-N 2.82Å; Y204-Q208 PolarHBondContact OH-NE2 2.92Å
205M88.1Confident84.8Confident115 Ų115107.9 Ų107.957%0.56753%0.529SS*.Hα-helixtrans-63.5-41.5176-73.9-65.9-63.400111.9R201 Q202 Q208 A209R201-M205 WeakPolarHBondContact O-CG 3.39Å; R201-M205 PolarHBondContact O-N 2.9Å; Q202-M205 PolarHBondContact O-N 3.37Å; M205-Q208 PolarHBondContact O-N 3.23Å; M205-A209 WeakPolarHBondContact O-CB 3.21Å; M205-A209 PolarHBondContact O-N 2.89Å
206Q88.9Confident83.2Confident144 Ų144108 Ų10867%0.67354%0.543SS*.Hα-helixtrans-66.4-39.6177.8-169.9170.62200112Q202 Y203 A209 A210Q202-Q206 PolarHBondContact O-N 2.78Å; Y203-Q206 PolarHBondContact O-N 3.16Å; Q206-A209 PolarHBondContact O-N 3.48Å; Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 2.94Å
207Y91.8Very high81.3Confident143 Ų143107.3 Ų107.356%0.56155%0.55SS*.Hα-helixtrans-63.7-45174.5-177.7-97.5000111.9Y203 Y204 A209 A210 V211Y203-Y207 WeakPolarHBondContact O-CB 3.34Å; Y203-Y207 PolarHBondContact O-N 2.88Å; Y204-Y207 PolarHBondContact O-N 3.26Å; Y207-A209 PolarHBondContact O-N 3.33Å; Y207-A210 PolarHBondContact O-N 3.38Å; Y207-V211 HydrophobicContact CD1-CG2 4.09Å; Y207-V211 HydrophobicContact CE1-CG2 3.67Å; Y207-V211 HydrophobicContact CE2-CG2 4.15Å; Y207-V211 WeakPolarHBondContact O-CG2 3.31Å; Y207-V211 PolarHBondContact O-N 2.96Å
208Q88.6Confident79.2Confident87 Ų87105.3 Ų105.341%0.40755%0.551SS.*Hα-helixtrans-63.9-38.6176.5-74.1-163.7-12.700112.9Y204 M205 V211 S212Y204-Q208 HydrophobicContact CD1-CG 4.34Å; Y204-Q208 VanDerWaalsContact CE1-CD 3.46Å; Y204-Q208 HydrophobicContact CE1-CG 4.06Å; Y204-Q208 WeakPolarHBondContact O-CG 3.21Å; Y204-Q208 PolarHBondContact O-N 2.82Å; Y204-Q208 PolarHBondContact OH-NE2 2.92Å; M205-Q208 PolarHBondContact O-N 3.23Å; Q208-V211 PolarHBondContact O-N 3.37Å; Q208-S212 WeakPolarHBondContact O-CB 3.21Å; Q208-S212 PolarHBondContact O-N 3.01Å; Q208-S212 PolarHBondContact O-OG 3.09Å
209A84.8Confident76.9Confident56 Ų56107.6 Ų107.646%0.46357%0.569SS.*Hα-helixtrans-63.7-41.7174.100000111.6M205 Q206 Y207 S212 A213M205-A209 WeakPolarHBondContact O-CB 3.21Å; M205-A209 PolarHBondContact O-N 2.89Å; Q206-A209 PolarHBondContact O-N 3.48Å; Y207-A209 PolarHBondContact O-N 3.33Å; A209-S212 WeakPolarHBondContact CA-OG 3.49Å; A209-S212 PolarHBondContact O-OG 2.98Å; A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 3.32Å
210A83.2Confident74Confident44 Ų44109 Ų10936%0.36458%0.582SS.*Hα-helixtrans-67.1-41.7176.600000112.3Q206 Y207 A213 Q214Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 2.94Å; Y207-A210 PolarHBondContact O-N 3.38Å; A210-A213 PolarHBondContact O-N 2.94Å; A210-Q214 VanDerWaalsContact C-NE2 3.32Å; A210-Q214 WeakPolarHBondContact O-CG 3.41Å; A210-Q214 PolarHBondContact O-N 3.31Å; A210-Q214 VanDerWaalsContact O-N 3.11Å; A210-Q214 PolarHBondContact O-NE2 3.27Å
211V83.8Confident71.4Confident57 Ų57111.8 Ų111.835%0.34559%0.594SS.*Hα-helixtrans-68.2-40.6178.9172.50000111.2Y207 Q208 Q214 V215Y207-V211 HydrophobicContact CD1-CG2 4.09Å; Y207-V211 HydrophobicContact CE1-CG2 3.67Å; Y207-V211 HydrophobicContact CE2-CG2 4.15Å; Y207-V211 WeakPolarHBondContact O-CG2 3.31Å; Y207-V211 PolarHBondContact O-N 2.96Å; Q208-V211 PolarHBondContact O-N 3.37Å; V211-Q214 PolarHBondContact O-N 3.42Å; V211-V215 WeakPolarHBondContact O-CG2 3.43Å; V211-V215 PolarHBondContact O-N 3.34Å
212S74.9Confident68.7Low72 Ų72109.5 Ų109.550%0.50360%0.6SS.*Hα-helixtrans-66.1-37.5176.152.50000112.7Q208 A209 Q214 V215Q208-S212 WeakPolarHBondContact O-CB 3.21Å; Q208-S212 PolarHBondContact O-N 3.01Å; Q208-S212 PolarHBondContact O-OG 3.09Å; A209-S212 WeakPolarHBondContact CA-OG 3.49Å; A209-S212 PolarHBondContact O-OG 2.98Å; S212-Q214 PolarHBondContact O-N 3.43Å; S212-V215 PolarHBondContact O-N 3.49Å
213A70Confident66.4Low57 Ų57115.4 Ų115.447%0.47162%0.618SS.*Hα-helixtrans-65.7-35.6173.800000112.9A209 A210 T216A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 3.32Å; A210-A213 PolarHBondContact O-N 2.94Å; A213-T216 PolarHBondContact O-N 3.44Å; A213-T216 PolarHBondContact O-OG1 3.06Å
214Q62.7Low63.5Low123 Ų123113.5 Ų113.558%0.57563%0.629SS**Hα-helixtrans-70.7-28.9177.7-71.716971.900113.4A210 V211 S212 T216 S217A210-Q214 VanDerWaalsContact C-NE2 3.32Å; A210-Q214 WeakPolarHBondContact O-CG 3.41Å; A210-Q214 PolarHBondContact O-N 3.31Å; A210-Q214 VanDerWaalsContact O-N 3.11Å; A210-Q214 PolarHBondContact O-NE2 3.27Å; V211-Q214 PolarHBondContact O-N 3.42Å; S212-Q214 PolarHBondContact O-N 3.43Å; Q214-T216 PolarHBondContact O-N 3.39Å; Q214-S217 PolarHBondContact O-OG 2.99Å
215V55.2Low60.7Low109 Ų109111.4 Ų111.466%0.66164%0.641SS**Hα-helixtrans-70.2-24.6174.5174.60000111.3V211 S212V211-V215 WeakPolarHBondContact O-CG2 3.43Å; V211-V215 PolarHBondContact O-N 3.34Å; S212-V215 PolarHBondContact O-N 3.49Å
216T53.8Low58Low114 Ų114113.2 Ų113.270%0.69966%0.658SS**THydrogen-bonded Turntrans-86.4-9.4-18057.70000115.5A213 Q214A213-T216 PolarHBondContact O-N 3.44Å; A213-T216 PolarHBondContact O-OG1 3.06Å; Q214-T216 PolarHBondContact O-N 3.39Å
217S50.2Low55.3Low97 Ų97110.7 Ų110.768%0.67866%0.662SS**THydrogen-bonded Turntrans-932.1179.558.60000114.6Q214Q214-S217 PolarHBondContact O-OG 2.99Å
218S45.7Very low52.4Low96 Ų96112.6 Ų112.667%0.67168%0.676SS**  trans-115.559.8-179-58.90000111.8
219T40.7Very low49.5Very low126 Ų126113.5 Ų113.577%0.77370%0.698SS**  trans-151.787.3161.8-25.90000110.7
220E32.7Very low47Very low182 Ų182116.9 Ų116.985%0.8571%0.713SS**  trans-69.6128.6167.3-128.1178.2126.300109.5V222E220-V222 PolarHBondContact O-N 2.79Å
221P39.6Very low44.2Very low123 Ų123122.3 Ų122.380%0.79974%0.736SS**  trans-88.8103.3178.532.8-28.3000110.1R223P221-R223 PolarHBondContact O-N 2.93Å
222V35.4Very low41.6Very low135 Ų135124 Ų12482%0.81875%0.75SS**  trans-76111168.6175.10000109.5E220E220-V222 PolarHBondContact O-N 2.79Å
223R39.8Very low39.4Very low234 Ų234129 Ų12988%0.88377%0.765SS**  trans-64.1131.1161.7-96.9176166.9142.4-4.2110.3P221P221-R223 PolarHBondContact O-N 2.93Å
224S30.5Very low37.3Very low130 Ų130138 Ų13891%0.90979%0.787SS**  trans-165.1139.8139.4-88.30000112.3
225A34.3Very low35.8Very low96 Ų96136.4 Ų136.479%0.79380%0.795SS**  trans-90.7149.9-170.700000113.1
226V32.1Very low35Very low152 Ų152137 Ų13792%0.92180%0.802SS**  trans-146.8145.1146.3173.60000109.8
227A31.6Very low34Very low91 Ų91136.1 Ų136.175%0.75281%0.805SS**  trans-73.9170.6-15800000118.7
228Q31.9Very low33Very low183 Ų183139.6 Ų139.686%0.85582%0.816SS**  trans-54.2154.5178.7-62.5152.6-70.500116.4
229A27Very low32.5Very low106 Ų106143.6 Ų143.688%0.87682%0.824SS**  trans-146.1135.5143.200000110.7
230V32.5Very low32.4Very low128 Ų128143.2 Ų143.278%0.77682%0.824SS**  trans-100.3136.5-169.8171.40000110.4
231N24.6Very low32.3Very low158 Ų158139.5 Ų139.585%0.84583%0.825SS**  trans-166.5131133.1-146.3-36.2000112.5
232S29.3Very low31.8Very low91 Ų91138.7 Ų138.764%0.63683%0.828SS**  trans-105.3147.7178.4-66.20000110
233E27.5Very low31.7Very low178 Ų178136.8 Ų136.883%0.83283%0.826SS**  175109129.3-149.193.19900112.3
234R26.8Very low31.7Very low246 Ų246131.3 Ų131.393%0.92882%0.821SS**  168.3118.6123.9-120.1177.6-177.698.20.9112.6
235A30.6Very low31.8Very low90 Ų90133.2 Ų133.274%0.74482%0.821SS**  trans-119.3167.3159.900000108
236P39.4Very low31.8Very low122 Ų122134.7 Ų134.779%0.79282%0.82SS**  -141142.862.525-0.3000114.5
237A31.3Very low32.1Very low94 Ų94131.9 Ų131.978%0.77781%0.813SS**  76.2115.384.300000116.3
238N30.5Very low32.3Very low170 Ų170133.1 Ų133.191%0.90981%0.811SS**  trans-152.5131.6139.7-109.8-6.6000110.3
239E34Very low32.9Very low180 Ų180133.8 Ų133.884%0.84181%0.814SS**  trans-67.6-175.4-166.1-95.217378.700118.7
240P39.3Very low33.1Very low119 Ų119136.7 Ų136.777%0.77381%0.81SS**  cis-131.7172.66.123.32.2000117.5
241A29.6Very low33.6Very low104 Ų104138.1 Ų138.186%0.8681%0.813SS**  trans-77.4153.1-175.300000116.3
242A30Very low34.1Very low105 Ų105141 Ų14187%0.86881%0.812SS**  trans-134139.3156.600000110
243A33.4Very low34.5Very low95 Ų95142.2 Ų142.279%0.78582%0.818SS**PPolyproline II helixtrans-73.5170.4-165.300000114.6
244P39.7Very low35.1Very low119 Ų119140.2 Ų140.277%0.77382%0.817SS**PPolyproline II helixtrans-88.9136.5-159.434.4-30.6000113.3
245N32.4Very low35.9Very low170 Ų170133.7 Ų133.791%0.90980%0.8SS**PPolyproline II helixtrans-79.8122.8170.5-82.8-56.9000110.8
246V34Very low37Very low127 Ų127135.2 Ų135.277%0.7780%0.803SS**PPolyproline II helixtrans-63.8130.2176.1173.10000110V248V246-V248 PolarHBondContact O-N 3.46Å
247A39.5Very low37.4Very low93 Ų93136.2 Ų136.277%0.76980%0.801SS**PPolyproline II helixtrans-62.4118.1167.100000110.2
248V36.2Very low38.4Very low117 Ų117136.7 Ų136.771%0.70979%0.79SS**  trans-112.189.2154.4177.60000106.2V246 E250V246-V248 PolarHBondContact O-N 3.46Å; V248-E250 VanDerWaalsContact C-N 3.25Å; V248-E250 HydrophobicContact CG1-CB 4.09Å; V248-E250 PolarHBondContact O-N 2.86Å; V248-E250 VanDerWaalsContact O-N 3.15Å
249Q42.8Very low39.6Very low197 Ų197136.5 Ų136.592%0.92178%0.784SS**  trans-77.782166.2-167.7-17742.400106.6
250E32.9Very low40.3Very low168 Ų168135 Ų13579%0.78578%0.778SS**  trans-93115.7171-163.3169.8123.600109.5V248 R252V248-E250 VanDerWaalsContact C-N 3.25Å; V248-E250 HydrophobicContact CG1-CB 4.09Å; V248-E250 PolarHBondContact O-N 2.86Å; V248-E250 VanDerWaalsContact O-N 3.15Å; E250-R252 PolarHBondContact O-N 3.35Å
251N41.8Very low41.2Very low158 Ų158134.3 Ų134.385%0.84577%0.768SS**  trans-55.893.4179.7-170.9-1.9000111.3
252R35.4Very low42.2Very low219 Ų219134.7 Ų134.783%0.82677%0.771SS**  trans-103.5129.6171.8-158.4170-172.1163.71.6109.2E250 V254E250-R252 PolarHBondContact O-N 3.35Å; R252-V254 PolarHBondContact O-N 3.31Å
253P37.3Very low43.1Very low116 Ų116137.9 Ų137.975%0.75377%0.768SS**  trans-57.2126.2-177.921.2-31.7000110.4N255P253-N255 PolarHBondContact O-N 3.29Å
254V40.8Very low43.9Very low135 Ų135136.9 Ų136.982%0.81877%0.767SS**  trans-56.4104.2179.7169.10000109R252 P256R252-V254 PolarHBondContact O-N 3.31Å; V254-P256 WeakPolarHBondContact O-CD 3.21Å
255N44Very low44.9Very low109 Ų109132.7 Ų132.758%0.58375%0.745SS**  trans-80.3116.7166.4-155.1-55.9000106.9P253 N257P253-N255 PolarHBondContact O-N 3.29Å; N255-N257 PolarHBondContact O-N 3.02Å
256P52.1Low45.8Very low122 Ų122130.3 Ų130.379%0.79274%0.739SS**THydrogen-bonded Turntrans-72.75.7-168.828.6-34.8000114.3V254V254-P256 WeakPolarHBondContact O-CD 3.21Å
257N49.4Very low46.8Very low143 Ų143126.7 Ų126.777%0.76572%0.717SS**THydrogen-bonded Turntrans-102.513.6-176.8-144.321.4000114.4N255 Q259N255-N257 PolarHBondContact O-N 3.02Å; N257-Q259 PolarHBondContact O-N 3.42Å; N257-Q259 VanDerWaalsContact O-N 3.07Å
258I52.1Low47.8Very low104 Ų104127.2 Ų127.253%0.53371%0.71SS.*  trans-77.596.5172.6-63.3154.5000107.5M260I258-M260 PolarHBondContact O-N 3.04Å; I258-M260 VanDerWaalsContact O-N 3.08Å
259Q54Low48.6Very low167 Ų167124.4 Ų124.478%0.7869%0.692SS**  trans-64.1105.5172.5-167.7168.192.500108.3N257 V267N257-Q259 PolarHBondContact O-N 3.42Å; N257-Q259 VanDerWaalsContact O-N 3.07Å; Q259-V267 WeakPolarHBondContact O-CG2 3.22Å
260M49.7Very low49.1Very low148 Ų148122.1 Ų122.173%0.72968%0.681SS**  trans-69.2127.7172.5-91.193.516900110I258I258-M260 PolarHBondContact O-N 3.04Å; I258-M260 VanDerWaalsContact O-N 3.08Å
261N57.9Low50.2Low105 Ų105119.2 Ų119.256%0.56167%0.667SS**  trans-62.7151.6163.3178.51.8000109.1Q263 G264 V267N261-Q263 PolarHBondContact O-N 2.64Å; N261-G264 PolarHBondContact O-N 2.88Å; N261-V267 HydrophobicContact CB-CG2 3.57Å; N261-V267 VanDerWaalsContact N-CG2 3.26Å
262A50.4Low51Low111 Ų111114.4 Ų114.492%0.91764%0.641SS**THydrogen-bonded Turntrans-56.91.2178.900000115.2
263Q50.1Low52Low173 Ų173111.5 Ų111.581%0.80864%0.635SS**THydrogen-bonded Turntrans-130.939.2177.4-162.4161.25100112.1N261 G265N261-Q263 PolarHBondContact O-N 2.64Å; Q263-G265 PolarHBondContact O-N 3.2Å
264G49.5Very low53Low73 Ų73110.9 Ų110.975%0.75363%0.625SS**  trans56.517.1153.300000119.2N261N261-G264 PolarHBondContact O-N 2.88Å
265G60.5Low54Low31 Ų31111.9 Ų111.932%0.3262%0.615SS.*SBendtrans-100.1151.9172.900000111.5Q263 V267Q263-G265 PolarHBondContact O-N 3.2Å; G265-V267 PolarHBondContact O-N 2.81Å
266P51.3Low55.4Low121 Ų121111.1 Ų111.179%0.78661%0.61SS**  trans-58.6114.417324.3-30.5000108.6V268P266-V268 PolarHBondContact O-N 2.79Å
267V54.9Low56.8Low51 Ų51112 Ų11231%0.30960%0.598SS.*  trans-7481.8173.5-171.50000106.8Q259 N261 G265 N269Q259-V267 WeakPolarHBondContact O-CG2 3.22Å; N261-V267 HydrophobicContact CB-CG2 3.57Å; N261-V267 VanDerWaalsContact N-CG2 3.26Å; G265-V267 PolarHBondContact O-N 2.81Å; V267-N269 PolarHBondContact O-N 3.08Å; V267-N269 VanDerWaalsContact O-N 3.08Å
268V59.9Low58.1Low103 Ų103109.6 Ų109.662%0.62459%0.585SS**  trans-68.698.6155.8178.80000103.7P266 E270P266-V268 PolarHBondContact O-N 2.79Å; V268-E270 VanDerWaalsContact C-N 3.28Å; V268-E270 PolarHBondContact O-N 2.86Å
269N54.1Low59.3Low59 Ų59108.9 Ų108.932%0.31658%0.582SS.*  trans-57.392.9175.9-88.2-36.6000108.7V267 E271 D272V267-N269 PolarHBondContact O-N 3.08Å; V267-N269 VanDerWaalsContact O-N 3.08Å; N269-E271 PolarHBondContact O-N 2.89Å; N269-E271 PolarHBondContact OD1-OE2 2.98Å; N269-D272 HydrophobicContact CB-CB 3.75Å; N269-D272 VanDerWaalsContact CB-CG 3.42Å; N269-D272 WeakPolarHBondContact CB-OD2 3.39Å; N269-D272 VanDerWaalsContact CG-OD2 3.29Å; N269-D272 PolarHBondContact ND2-OD2 2.85Å; N269-D272 PolarHBondContact O-N 3.08Å
270E53.9Low60.5Low149 Ų149109.9 Ų109.970%0.69658%0.579SS**Hα-helixtrans-60.1-22.1167.3-61.9171.2-17200109.8V268 N274V268-E270 VanDerWaalsContact C-N 3.28Å; V268-E270 PolarHBondContact O-N 2.86Å; E270-N274 PolarHBondContact O-N 3.22Å; E270-N274 PolarHBondContact O-ND2 2.78Å
271E56.1Low62.1Low107 Ų107107.3 Ų107.350%0.557%0.566SS.*Hα-helixtrans-73.7-26.8171.9-54.594.1168.900114.3N269 R275N269-E271 PolarHBondContact O-N 2.89Å; N269-E271 PolarHBondContact OD1-OE2 2.98Å; E271-R275 VanDerWaalsContact O-CB 3.23Å; E271-R275 WeakPolarHBondContact O-CB 3.25Å; E271-R275 WeakPolarHBondContact O-CD 3.36Å; E271-R275 PolarHBondContact O-N 3.45Å
272D58.5Low63.3Low56 Ų56108.6 Ų108.630%0.29956%0.564SS.*Hα-helixtrans-71.3-46.9178.1-75.3-25.4000109.3N269 N274 R275 D276N269-D272 HydrophobicContact CB-CB 3.75Å; N269-D272 VanDerWaalsContact CB-CG 3.42Å; N269-D272 WeakPolarHBondContact CB-OD2 3.39Å; N269-D272 VanDerWaalsContact CG-OD2 3.29Å; N269-D272 PolarHBondContact ND2-OD2 2.85Å; N269-D272 PolarHBondContact O-N 3.08Å; D272-N274 VanDerWaalsContact C-N 3.3Å; D272-N274 PolarHBondContact O-N 2.83Å; D272-R275 PolarHBondContact O-N 2.83Å; D272-R275 VanDerWaalsContact O-N 3.15Å; D272-R275 IonicContact OD1-CZ 3.77Å; D272-R275 IonicContact OD1-NH2 3.44Å; D272-R275 PolarHBondContact OD1-NH2 3.04Å; D272-D276 VanDerWaalsContact O-CB 3.28Å; D272-D276 WeakPolarHBondContact O-CB 3.44Å; D272-D276 PolarHBondContact O-N 2.78Å; D272-D276 VanDerWaalsContact O-OD2 3.11Å
273F56.3Low64.7Low159 Ų159107.1 Ų107.170%0.69754%0.544SS*.Hα-helixtrans-59.4-37.9173.5-86.3-87.1000113.4W277F273-W277 PolarHBondContact O-N 2.76Å
274N57.4Low66.5Low102 Ų102105 Ų10555%0.54553%0.532SS..Hα-helixtrans-78.3-26.2177.8-80.5-80.1000113.4E270 D272 W277E270-N274 PolarHBondContact O-N 3.22Å; E270-N274 PolarHBondContact O-ND2 2.78Å; D272-N274 VanDerWaalsContact C-N 3.3Å; D272-N274 PolarHBondContact O-N 2.83Å; N274-W277 PolarHBondContact O-NE1 3.47Å
275R61.4Low68.2Low157 Ų157103.7 Ų103.759%0.59251%0.512SS*.Hα-helixtrans-74.7-38.2169.4-94144.860.1-170.9-10.4111.2E271 D272 W277 L278 D279E271-R275 VanDerWaalsContact O-CB 3.23Å; E271-R275 WeakPolarHBondContact O-CB 3.25Å; E271-R275 WeakPolarHBondContact O-CD 3.36Å; E271-R275 PolarHBondContact O-N 3.45Å; D272-R275 PolarHBondContact O-N 2.83Å; D272-R275 VanDerWaalsContact O-N 3.15Å; D272-R275 IonicContact OD1-CZ 3.77Å; D272-R275 IonicContact OD1-NH2 3.44Å; D272-R275 PolarHBondContact OD1-NH2 3.04Å; R275-W277 PolarHBondContact O-N 3.26Å; R275-L278 PolarHBondContact O-N 3.28Å; R275-D279 WeakPolarHBondContact O-CB 3.26Å; R275-D279 PolarHBondContact O-N 3.15Å
276D73.3Confident69.4Low92 Ų92109.4 Ų109.449%0.49252%0.523SS..Hα-helixtrans-67.9-38.5-174.2-69.1-21.1000112.3D272 W280D272-D276 VanDerWaalsContact O-CB 3.28Å; D272-D276 WeakPolarHBondContact O-CB 3.44Å; D272-D276 PolarHBondContact O-N 2.78Å; D272-D276 VanDerWaalsContact O-OD2 3.11Å; D276-W280 WeakPolarHBondContact O-CA 3.41Å; D276-W280 WeakPolarHBondContact O-CB 3.23Å; D276-W280 PolarHBondContact O-N 3.1Å
277W81.9Confident70.9Confident140 Ų140106.2 Ų106.253%0.5351%0.507SS..Hα-helixtrans-68.7-40.5-179.790-84.3000112.5F273 N274 R275 M281F273-W277 PolarHBondContact O-N 2.76Å; N274-W277 PolarHBondContact O-NE1 3.47Å; R275-W277 PolarHBondContact O-N 3.26Å; W277-M281 HydrophobicContact CE3-CE 3.74Å; W277-M281 HydrophobicContact CH2-CE 4.16Å; W277-M281 HydrophobicContact CZ3-CE 3.23Å; W277-M281 VanDerWaalsContact O-CB 3.29Å; W277-M281 WeakPolarHBondContact O-CB 3.12Å; W277-M281 PolarHBondContact O-N 2.99Å
278L76.8Confident72.2Confident93 Ų93106 Ų10649%0.48751%0.51SS..Hα-helixtrans-73.5-40.8176.9-79.1168.2000111.3R275 M281 Y282R275-L278 PolarHBondContact O-N 3.28Å; L278-M281 PolarHBondContact O-N 3.28Å; L278-Y282 WeakPolarHBondContact O-CA 3.47Å; L278-Y282 WeakPolarHBondContact O-CB 3.28Å; L278-Y282 PolarHBondContact O-N 2.64Å
279D77.1Confident73.3Confident90 Ų90105.8 Ų105.848%0.48151%0.505SS..Hα-helixtrans-73-33.1179.8-163.638.3000111.4R275 Y282 T283R275-D279 WeakPolarHBondContact O-CB 3.26Å; R275-D279 PolarHBondContact O-N 3.15Å; D279-Y282 PolarHBondContact O-N 3.33Å; D279-T283 WeakPolarHBondContact O-CB 3.05Å; D279-T283 PolarHBondContact O-N 3.29Å; D279-T283 PolarHBondContact O-OG1 3.4Å
280W80.3Confident74.6Confident187 Ų187107.9 Ų107.971%0.70852%0.515SS*.Hα-helixtrans-66.4-46.8169.9-173.785.5000111D276 Y282 T283 F284D276-W280 WeakPolarHBondContact O-CA 3.41Å; D276-W280 WeakPolarHBondContact O-CB 3.23Å; D276-W280 PolarHBondContact O-N 3.1Å; W280-Y282 VanDerWaalsContact C-N 3.32Å; W280-Y282 PolarHBondContact O-N 2.82Å; W280-T283 PolarHBondContact O-N 2.79Å; W280-F284 WeakPolarHBondContact O-CB 3.27Å; W280-F284 PolarHBondContact O-N 2.98Å
281M81.8Confident75.7Confident94 Ų94103.4 Ų103.446%0.46350%0.496SS..Hα-helixtrans-63.4-39.2174.3-171.9-164.5-62.200111.6W277 L278 S285W277-M281 HydrophobicContact CE3-CE 3.74Å; W277-M281 HydrophobicContact CH2-CE 4.16Å; W277-M281 HydrophobicContact CZ3-CE 3.23Å; W277-M281 VanDerWaalsContact O-CB 3.29Å; W277-M281 WeakPolarHBondContact O-CB 3.12Å; W277-M281 PolarHBondContact O-N 2.99Å; L278-M281 PolarHBondContact O-N 3.28Å; M281-S285 WeakPolarHBondContact O-CB 3.12Å; M281-S285 PolarHBondContact O-N 3.13Å; M281-S285 PolarHBondContact O-OG 2.93Å
282Y83Confident76.6Confident132 Ų132100.6 Ų100.652%0.51849%0.488SS..Hα-helixtrans-68-47.2179.6175.4-107.3000110.8L278 D279 W280 F284 S285 R286L278-Y282 WeakPolarHBondContact O-CA 3.47Å; L278-Y282 WeakPolarHBondContact O-CB 3.28Å; L278-Y282 PolarHBondContact O-N 2.64Å; D279-Y282 PolarHBondContact O-N 3.33Å; W280-Y282 VanDerWaalsContact C-N 3.32Å; W280-Y282 PolarHBondContact O-N 2.82Å; Y282-F284 VanDerWaalsContact C-N 3.35Å; Y282-F284 PolarHBondContact O-N 2.77Å; Y282-S285 WeakPolarHBondContact CA-OG 3.43Å; Y282-S285 PolarHBondContact O-N 2.62Å; Y282-S285 PolarHBondContact O-OG 3.42Å; Y282-R286 VanDerWaalsContact O-CB 3.31Å; Y282-R286 WeakPolarHBondContact O-CB 3.37Å; Y282-R286 PolarHBondContact O-N 2.78Å
283T81.1Confident77.6Confident80 Ų80101.9 Ų101.949%0.49149%0.494SS..Hα-helixtrans-62.3-43.1174.9-61.90000110.9D279 W280 R286 A287D279-T283 WeakPolarHBondContact O-CB 3.05Å; D279-T283 PolarHBondContact O-N 3.29Å; D279-T283 PolarHBondContact O-OG1 3.4Å; W280-T283 PolarHBondContact O-N 2.79Å; T283-R286 PolarHBondContact O-N 2.84Å; T283-A287 VanDerWaalsContact O-CB 3.31Å; T283-A287 WeakPolarHBondContact O-CB 3.41Å; T283-A287 PolarHBondContact O-N 3.36Å
284F87Confident78.4Confident129 Ų12997.6 Ų97.657%0.56648%0.481SS*.Hα-helixtrans-61.6-45.4173.8-178.1-96.8000111.6W280 Y282 R286 A287 A288W280-F284 WeakPolarHBondContact O-CB 3.27Å; W280-F284 PolarHBondContact O-N 2.98Å; Y282-F284 VanDerWaalsContact C-N 3.35Å; Y282-F284 PolarHBondContact O-N 2.77Å; F284-R286 VanDerWaalsContact C-N 3.33Å; F284-R286 PolarHBondContact O-N 2.8Å; F284-A287 PolarHBondContact O-N 2.98Å; F284-A288 VanDerWaalsContact O-CB 3.27Å; F284-A288 WeakPolarHBondContact O-CB 3.49Å; F284-A288 PolarHBondContact O-N 3.02Å
285S86.8Confident79.3Confident46 Ų4697.8 Ų97.832%0.32248%0.475SS..Hα-helixtrans-63.7-39.4177.9770000111.7M281 Y282 A288 I289M281-S285 WeakPolarHBondContact O-CB 3.12Å; M281-S285 PolarHBondContact O-N 3.13Å; M281-S285 PolarHBondContact O-OG 2.93Å; Y282-S285 WeakPolarHBondContact CA-OG 3.43Å; Y282-S285 PolarHBondContact O-N 2.62Å; Y282-S285 PolarHBondContact O-OG 3.42Å; S285-A288 PolarHBondContact O-N 2.84Å; S285-I289 VanDerWaalsContact O-CG1 3.24Å; S285-I289 WeakPolarHBondContact O-CG1 3.22Å; S285-I289 PolarHBondContact O-N 3.07Å
286R84.6Confident79.9Confident151 Ų15198.1 Ų98.157%0.5748%0.481SS*.Hα-helixtrans-69.2-42178.1-168.7174.4-176.9-173.6-0.1111.2Y282 T283 F284 I289 L290Y282-R286 VanDerWaalsContact O-CB 3.31Å; Y282-R286 WeakPolarHBondContact O-CB 3.37Å; Y282-R286 PolarHBondContact O-N 2.78Å; T283-R286 PolarHBondContact O-N 2.84Å; F284-R286 VanDerWaalsContact C-N 3.33Å; F284-R286 PolarHBondContact O-N 2.8Å; R286-I289 PolarHBondContact O-N 2.8Å; R286-L290 WeakPolarHBondContact O-CB 3.49Å; R286-L290 VanDerWaalsContact O-CG 3.28Å; R286-L290 WeakPolarHBondContact O-CG 3.3Å; R286-L290 PolarHBondContact O-N 2.87Å
287A83.3Confident79.8Confident54 Ų54103.4 Ų103.445%0.44650%0.495SS..Hα-helixtrans-62.6-43.9172.400000111T283 F284 I289 L290 L291T283-A287 VanDerWaalsContact O-CB 3.31Å; T283-A287 WeakPolarHBondContact O-CB 3.41Å; T283-A287 PolarHBondContact O-N 3.36Å; F284-A287 PolarHBondContact O-N 2.98Å; A287-I289 PolarHBondContact O-N 2.8Å; A287-L290 PolarHBondContact O-N 2.82Å; A287-L291 WeakPolarHBondContact O-CB 3.38Å; A287-L291 PolarHBondContact O-N 3.19Å
288A81.1Confident79.3Confident45 Ų4599.1 Ų99.137%0.37249%0.487SS..Hα-helixtrans-63.9-39.2177.900000112.6F284 S285 L291 S292F284-A288 VanDerWaalsContact O-CB 3.27Å; F284-A288 WeakPolarHBondContact O-CB 3.49Å; F284-A288 PolarHBondContact O-N 3.02Å; S285-A288 PolarHBondContact O-N 2.84Å; A288-L291 PolarHBondContact O-N 3.3Å; A288-S292 WeakPolarHBondContact O-CB 3.49Å; A288-S292 PolarHBondContact O-N 2.97Å
289I82.9Confident79.1Confident99 Ų9997.7 Ų97.751%0.50849%0.485SS..Hα-helixtrans-67.3-47.8174.9-68.4163.9000110.3S285 R286 A287 L291 S292 I293S285-I289 VanDerWaalsContact O-CG1 3.24Å; S285-I289 WeakPolarHBondContact O-CG1 3.22Å; S285-I289 PolarHBondContact O-N 3.07Å; R286-I289 PolarHBondContact O-N 2.8Å; A287-I289 PolarHBondContact O-N 2.8Å; I289-L291 PolarHBondContact O-N 2.83Å; I289-S292 PolarHBondContact O-N 2.76Å; I289-S292 VanDerWaalsContact O-N 3.15Å; I289-S292 PolarHBondContact O-OG 3.44Å; I289-I293 HydrophobicContact CG2-CD1 3.99Å; I289-I293 WeakPolarHBondContact O-CG1 3Å; I289-I293 PolarHBondContact O-N 3.05Å
290L81.5Confident79.1Confident103 Ų103100.1 Ų100.154%0.53949%0.491SS..Hα-helixtrans-58-41.5175.5-73.5172.1000111.1R286 A287 I293 V294R286-L290 WeakPolarHBondContact O-CB 3.49Å; R286-L290 VanDerWaalsContact O-CG 3.28Å; R286-L290 WeakPolarHBondContact O-CG 3.3Å; R286-L290 PolarHBondContact O-N 2.87Å; A287-L290 PolarHBondContact O-N 2.82Å; L290-I293 PolarHBondContact O-N 2.88Å; L290-V294 WeakPolarHBondContact O-CG2 3.27Å; L290-V294 PolarHBondContact O-N 2.86Å
291L78.3Confident78.7Confident55 Ų5595.1 Ų95.129%0.28849%0.485SS..Hα-helixtrans-64.8-41.4177.3-171.668000112A287 A288 I289 I293 V294 Y295 F303 M307A287-L291 WeakPolarHBondContact O-CB 3.38Å; A287-L291 PolarHBondContact O-N 3.19Å; A288-L291 PolarHBondContact O-N 3.3Å; I289-L291 PolarHBondContact O-N 2.83Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 2.83Å; L291-V294 PolarHBondContact O-N 3.03Å; L291-Y295 VanDerWaalsContact O-CB 3.28Å; L291-Y295 WeakPolarHBondContact O-CB 3.12Å; L291-Y295 PolarHBondContact O-N 3.37Å; L291-F303 HydrophobicContact CD1-CD2 4.33Å; L291-F303 HydrophobicContact CD1-CE2 3.2Å; L291-F303 HydrophobicContact CD1-CZ 3.43Å; L291-F303 VanDerWaalsContact CD1-CZ 3.43Å; L291-F303 HydrophobicContact CD2-CE2 4.45Å; L291-F303 HydrophobicContact CD2-CZ 3.9Å; L291-F303 HydrophobicContact CG-CE2 3.53Å; L291-F303 HydrophobicContact CG-CZ 3.46Å; L291-F303 VanDerWaalsContact CG-CZ 3.46Å; L291-F303 WeakPolarHBondContact O-CE2 3.47Å; L291-M307 HydrophobicContact CD1-CE 3.87Å; L291-M307 HydrophobicContact CD1-CG 3.53Å; L291-M307 HydrophobicContact CD1-SD 3.16Å; L291-M307 WeakPolarHBondContact CD1-SD 3.48Å; L291-M307 HydrophobicContact CD2-CE 3.79Å; L291-M307 HydrophobicContact CD2-SD 4.24Å; L291-M307 HydrophobicContact CG-SD 4.33Å
292S74.8Confident78.6Confident48 Ų4899 Ų9934%0.33649%0.494SS..Hα-helixtrans-63.3-38.3175.478.20000111.8A288 I289 Y295 F296A288-S292 WeakPolarHBondContact O-CB 3.49Å; A288-S292 PolarHBondContact O-N 2.97Å; I289-S292 PolarHBondContact O-N 2.76Å; I289-S292 VanDerWaalsContact O-N 3.15Å; I289-S292 PolarHBondContact O-OG 3.44Å; S292-Y295 WeakPolarHBondContact O-CB 3.47Å; S292-Y295 PolarHBondContact O-N 3.23Å; S292-F296 WeakPolarHBondContact O-CD2 3.32Å; S292-F296 PolarHBondContact O-N 2.99Å
293I78.8Confident78.5Confident84 Ų8494.1 Ų94.143%0.43148%0.476SS..Hα-helixtrans-67.1-46.1176.8-66.3164.4000109.5I289 L290 L291 Y295 F296 Y297I289-I293 HydrophobicContact CG2-CD1 3.99Å; I289-I293 WeakPolarHBondContact O-CG1 3Å; I289-I293 PolarHBondContact O-N 3.05Å; L290-I293 PolarHBondContact O-N 2.88Å; L291-I293 VanDerWaalsContact C-N 3.31Å; L291-I293 PolarHBondContact O-N 2.83Å; I293-Y295 VanDerWaalsContact C-N 3.26Å; I293-Y295 PolarHBondContact O-N 3.12Å; I293-F296 PolarHBondContact O-N 3.48Å; I293-Y297 HydrophobicContact CG2-CD2 4.16Å; I293-Y297 HydrophobicContact CG2-CE2 4.46Å; I293-Y297 VanDerWaalsContact O-CD2 3.31Å; I293-Y297 WeakPolarHBondContact O-CD2 3.17Å; I293-Y297 PolarHBondContact O-N 3Å; I293-Y297 VanDerWaalsContact O-N 3.09Å
294V73.6Confident78.5Confident69 Ų6993.9 Ų93.942%0.41847%0.474SS..Hα-helixtrans-61.9-36.5175.4176.30000111.2L290 L291 Y297 S298 F303L290-V294 WeakPolarHBondContact O-CG2 3.27Å; L290-V294 PolarHBondContact O-N 2.86Å; L291-V294 PolarHBondContact O-N 3.03Å; V294-Y297 PolarHBondContact O-N 3.22Å; V294-S298 WeakPolarHBondContact O-CB 3.14Å; V294-S298 PolarHBondContact O-N 3.11Å; V294-S298 PolarHBondContact O-OG 3.46Å; V294-F303 HydrophobicContact CG1-CD2 4.2Å
295Y76.5Confident78.2Confident105 Ų10594.5 Ų94.541%0.41248%0.48SS..Hα-helixtrans-63.4-47.1174.2175.6-92.6000112.4L291 S292 I293 Y297 S298 F300 F303L291-Y295 VanDerWaalsContact O-CB 3.28Å; L291-Y295 WeakPolarHBondContact O-CB 3.12Å; L291-Y295 PolarHBondContact O-N 3.37Å; S292-Y295 WeakPolarHBondContact O-CB 3.47Å; S292-Y295 PolarHBondContact O-N 3.23Å; I293-Y295 VanDerWaalsContact C-N 3.26Å; I293-Y295 PolarHBondContact O-N 3.12Å; Y295-Y297 PolarHBondContact O-N 2.87Å; Y295-S298 PolarHBondContact O-N 2.92Å; Y295-F300 AromaticContact CE2-CD2 3.9Å; Y295-F300 HydrophobicContact CE2-CD2 3.9Å; Y295-F300 HydrophobicContact CE2-CE2 4.44Å; Y295-F303 AromaticContact CD2-CD1 3.87Å; Y295-F303 HydrophobicContact CD2-CD1 3.87Å; Y295-F303 HydrophobicContact CD2-CD2 4.3Å; Y295-F303 AromaticContact CD2-CE1 3.97Å; Y295-F303 HydrophobicContact CD2-CE1 3.97Å; Y295-F303 HydrophobicContact CD2-CE2 4.36Å; Y295-F303 HydrophobicContact CD2-CG 4.04Å; Y295-F303 HydrophobicContact CD2-CZ 4.2Å
296F72.8Confident77.9Confident164 Ų16496.7 Ų96.772%0.71949%0.491SS*.Hα-helixtrans-67.3-25.3178.9-83.6-68.4000113.2S292 I293S292-F296 WeakPolarHBondContact O-CD2 3.32Å; S292-F296 PolarHBondContact O-N 2.99Å; I293-F296 PolarHBondContact O-N 3.48Å
297Y72.2Confident77.8Confident203 Ų20393.2 Ų93.280%0.79648%0.483SS*.Hα-helixtrans-101-1.7-178.8-79.5-93.8000114.2I293 V294 Y295I293-Y297 HydrophobicContact CG2-CD2 4.16Å; I293-Y297 HydrophobicContact CG2-CE2 4.46Å; I293-Y297 VanDerWaalsContact O-CD2 3.31Å; I293-Y297 WeakPolarHBondContact O-CD2 3.17Å; I293-Y297 PolarHBondContact O-N 3Å; I293-Y297 VanDerWaalsContact O-N 3.09Å; V294-Y297 PolarHBondContact O-N 3.22Å; Y295-Y297 PolarHBondContact O-N 2.87Å
298S71.6Confident77.8Confident51 Ų5192.1 Ų92.136%0.35748%0.477SS..SBendtrans-125.9151.5178-69.40000112.6V294 Y295V294-S298 WeakPolarHBondContact O-CB 3.14Å; V294-S298 PolarHBondContact O-N 3.11Å; V294-S298 PolarHBondContact O-OG 3.46Å; Y295-S298 PolarHBondContact O-N 2.92Å
299S73.1Confident77.8Confident63 Ų6392.5 Ų92.544%0.44148%0.48SS..  trans-64.7141.817059.10000110.5S301 R302 F303S299-S301 PolarHBondContact O-N 2.77Å; S299-R302 PolarHBondContact O-N 3.24Å; S299-R302 WeakPolarHBondContact OG-CD 2.94Å; S299-R302 WeakPolarHBondContact OG-CG 3.19Å; S299-F303 PolarHBondContact O-N 2.78Å
300F76.3Confident77.7Confident140 Ų14094.6 Ų94.661%0.61449%0.489SS*.Hα-helixtrans-46.2-43.6-176.4-179.5-100.1000113.4Y295 F303 V304Y295-F300 AromaticContact CE2-CD2 3.9Å; Y295-F300 HydrophobicContact CE2-CD2 3.9Å; Y295-F300 HydrophobicContact CE2-CE2 4.44Å; F300-F303 PolarHBondContact O-N 3.07Å; F300-V304 HydrophobicContact CD1-CG2 4.43Å; F300-V304 HydrophobicContact CE1-CG2 4.08Å; F300-V304 HydrophobicContact CE2-CG2 4.31Å; F300-V304 HydrophobicContact CZ-CG2 4.01Å; F300-V304 WeakPolarHBondContact O-CG2 3.33Å; F300-V304 PolarHBondContact O-N 3.07Å
301S72.8Confident77.9Confident82 Ų8294.7 Ų94.757%0.57349%0.489SS*.Hα-helixtrans-63.3-42177.8168.40000113.3S299 M305S299-S301 PolarHBondContact O-N 2.77Å; S301-M305 VanDerWaalsContact O-CG 3.25Å; S301-M305 WeakPolarHBondContact O-CG 3.44Å; S301-M305 PolarHBondContact O-N 2.93Å; S301-M305 VanDerWaalsContact O-N 3.09Å
302R78.9Confident78.2Confident177 Ų17798 Ų9867%0.66851%0.507SS*.Hα-helixtrans-70.4-36.7178.9-69.1179.1-176.4174.90.3111.6S299 M305 V306S299-R302 PolarHBondContact O-N 3.24Å; S299-R302 WeakPolarHBondContact OG-CD 2.94Å; S299-R302 WeakPolarHBondContact OG-CG 3.19Å; R302-M305 PolarHBondContact O-N 3.3Å; R302-V306 WeakPolarHBondContact O-CG2 3.49Å; R302-V306 PolarHBondContact O-N 3.18Å; R302-V306 VanDerWaalsContact O-N 3.08Å
303F81.1Confident78.5Confident29 Ų2999.7 Ų99.713%0.12752%0.515CS..Hα-helixtrans-61.9-48.6174.5172.1-94.9000112.2L291 V294 Y295 S299 F300 M305 V306 M307L291-F303 HydrophobicContact CD1-CD2 4.33Å; L291-F303 HydrophobicContact CD1-CE2 3.2Å; L291-F303 HydrophobicContact CD1-CZ 3.43Å; L291-F303 VanDerWaalsContact CD1-CZ 3.43Å; L291-F303 HydrophobicContact CD2-CE2 4.45Å; L291-F303 HydrophobicContact CD2-CZ 3.9Å; L291-F303 HydrophobicContact CG-CE2 3.53Å; L291-F303 HydrophobicContact CG-CZ 3.46Å; L291-F303 VanDerWaalsContact CG-CZ 3.46Å; L291-F303 WeakPolarHBondContact O-CE2 3.47Å; V294-F303 HydrophobicContact CG1-CD2 4.2Å; Y295-F303 AromaticContact CD2-CD1 3.87Å; Y295-F303 HydrophobicContact CD2-CD1 3.87Å; Y295-F303 HydrophobicContact CD2-CD2 4.3Å; Y295-F303 AromaticContact CD2-CE1 3.97Å; Y295-F303 HydrophobicContact CD2-CE1 3.97Å; Y295-F303 HydrophobicContact CD2-CE2 4.36Å; Y295-F303 HydrophobicContact CD2-CG 4.04Å; Y295-F303 HydrophobicContact CD2-CZ 4.2Å; S299-F303 PolarHBondContact O-N 2.78Å; F300-F303 PolarHBondContact O-N 3.07Å; F303-M305 VanDerWaalsContact C-N 3.33Å; F303-M305 PolarHBondContact O-N 3.43Å; F303-V306 PolarHBondContact O-N 3.08Å; F303-M307 HydrophobicContact CE1-CG 4.25Å; F303-M307 HydrophobicContact CE2-CG 4.2Å; F303-M307 HydrophobicContact CZ-CG 4Å; F303-M307 WeakPolarHBondContact O-CB 2.97Å; F303-M307 PolarHBondContact O-N 3.47Å
304V80.7Confident78.6Confident75 Ų75103.1 Ų103.146%0.45552%0.523SS..Hα-helixtrans-63.3-39.2178.4173.10000111.3F300 G308F300-V304 HydrophobicContact CD1-CG2 4.43Å; F300-V304 HydrophobicContact CE1-CG2 4.08Å; F300-V304 HydrophobicContact CE2-CG2 4.31Å; F300-V304 HydrophobicContact CZ-CG2 4.01Å; F300-V304 WeakPolarHBondContact O-CG2 3.33Å; F300-V304 PolarHBondContact O-N 3.07Å; V304-G308 PolarHBondContact O-N 2.98Å
305M80.1Confident78.9Confident142 Ų142102.7 Ų102.770%0.752%0.519SS*.Hα-helixtrans-61.5-46.7175.5-73.9-110.5-74.400112.5S301 R302 F303 G308 A309S301-M305 VanDerWaalsContact O-CG 3.25Å; S301-M305 WeakPolarHBondContact O-CG 3.44Å; S301-M305 PolarHBondContact O-N 2.93Å; S301-M305 VanDerWaalsContact O-N 3.09Å; R302-M305 PolarHBondContact O-N 3.3Å; F303-M305 VanDerWaalsContact C-N 3.33Å; F303-M305 PolarHBondContact O-N 3.43Å; M305-G308 PolarHBondContact O-N 3.49Å; M305-A309 WeakPolarHBondContact O-CB 3.39Å; M305-A309 PolarHBondContact O-N 2.94Å
306V81.4Confident78.9Confident91 Ų91104.8 Ų104.855%0.55253%0.532SS*.Hα-helixtrans-69.3-39.2-179.2174.70000111.3R302 F303 A309 M310R302-V306 WeakPolarHBondContact O-CG2 3.49Å; R302-V306 PolarHBondContact O-N 3.18Å; R302-V306 VanDerWaalsContact O-N 3.08Å; F303-V306 PolarHBondContact O-N 3.08Å; V306-A309 PolarHBondContact O-N 3.11Å; V306-M310 PolarHBondContact O-N 3.28Å
307M82.2Confident78.7Confident79 Ų79104.2 Ų104.239%0.38953%0.531SS..Hα-helixtrans-66.1-42.2174.3-83.1-59.7-74.100113L291 F303 A309 M310 L311L291-M307 HydrophobicContact CD1-CE 3.87Å; L291-M307 HydrophobicContact CD1-CG 3.53Å; L291-M307 HydrophobicContact CD1-SD 3.16Å; L291-M307 WeakPolarHBondContact CD1-SD 3.48Å; L291-M307 HydrophobicContact CD2-CE 3.79Å; L291-M307 HydrophobicContact CD2-SD 4.24Å; L291-M307 HydrophobicContact CG-SD 4.33Å; F303-M307 HydrophobicContact CE1-CG 4.25Å; F303-M307 HydrophobicContact CE2-CG 4.2Å; F303-M307 HydrophobicContact CZ-CG 4Å; F303-M307 WeakPolarHBondContact O-CB 2.97Å; F303-M307 PolarHBondContact O-N 3.47Å; M307-A309 VanDerWaalsContact C-N 3.34Å; M307-M310 PolarHBondContact O-N 3.15Å; M307-L311 VanDerWaalsContact O-CB 3.28Å; M307-L311 WeakPolarHBondContact O-CB 3.24Å; M307-L311 PolarHBondContact O-N 3.25Å
308G83.2Confident78.5Confident31 Ų3197.7 Ų97.732%0.3252%0.519SS..Hα-helixtrans-62.2-41.4174.100000112V304 M305 L311 L312V304-G308 PolarHBondContact O-N 2.98Å; M305-G308 PolarHBondContact O-N 3.49Å; G308-L311 PolarHBondContact O-N 3.4Å; G308-L312 WeakPolarHBondContact O-CB 3.26Å; G308-L312 PolarHBondContact O-N 2.76Å
309A81.5Confident78Confident52 Ų5297.8 Ų97.843%0.4353%0.529SS..Hα-helixtrans-65.2-44.4176.500000112.5M305 V306 M307 L312 V313M305-A309 WeakPolarHBondContact O-CB 3.39Å; M305-A309 PolarHBondContact O-N 2.94Å; V306-A309 PolarHBondContact O-N 3.11Å; M307-A309 VanDerWaalsContact C-N 3.34Å; A309-L312 PolarHBondContact O-N 2.75Å; A309-V313 WeakPolarHBondContact O-CG2 3.43Å; A309-V313 PolarHBondContact O-N 3.01Å
310M81.6Confident77.6Confident143 Ų143103.8 Ų103.870%0.70454%0.542SS*.Hα-helixtrans-64.5-38.9174.2-99.2-137162.100112.4V306 M307 V313 Y314V306-M310 PolarHBondContact O-N 3.28Å; M307-M310 PolarHBondContact O-N 3.15Å; M310-V313 PolarHBondContact O-N 2.79Å; M310-Y314 WeakPolarHBondContact O-CB 3.41Å; M310-Y314 PolarHBondContact O-N 3.48Å
311L83.9Confident76.4Confident105 Ų105104.3 Ų104.355%0.5554%0.544SS..Hα-helixtrans-63.2-41.9175-169.487.2000111.4M307 G308 Y314 L315M307-L311 VanDerWaalsContact O-CB 3.28Å; M307-L311 WeakPolarHBondContact O-CB 3.24Å; M307-L311 PolarHBondContact O-N 3.25Å; G308-L311 PolarHBondContact O-N 3.4Å; L311-Y314 PolarHBondContact O-N 3.2Å; L311-L315 HydrophobicContact CG-CD1 4.3Å; L311-L315 WeakPolarHBondContact O-CB 3.36Å; L311-L315 PolarHBondContact O-N 3.28Å
312L84.4Confident75.5Confident124 Ų124106.2 Ų106.265%0.64956%0.555SS**Hα-helixtrans-62.4-44.9175.8-89.9160.2000112G308 A309 Y314 L315 H316G308-L312 WeakPolarHBondContact O-CB 3.26Å; G308-L312 PolarHBondContact O-N 2.76Å; A309-L312 PolarHBondContact O-N 2.75Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 PolarHBondContact O-N 3.11Å; L312-L315 PolarHBondContact O-N 3.3Å; L312-H316 WeakPolarHBondContact O-CB 3.39Å; L312-H316 PolarHBondContact O-N 3.15Å
313V81.5Confident74.2Confident84 Ų84107.3 Ų107.351%0.50957%0.565SS.*Hα-helixtrans-63.7-39.7175.1172.80000111A309 M310 H316 Q317A309-V313 WeakPolarHBondContact O-CG2 3.43Å; A309-V313 PolarHBondContact O-N 3.01Å; M310-V313 PolarHBondContact O-N 2.79Å; V313-H316 WeakPolarHBondContact O-CB 3.47Å; V313-H316 PolarHBondContact O-N 3.44Å; V313-Q317 PolarHBondContact O-N 3.39Å
314Y80.4Confident72.5Confident156 Ų156116.9 Ų116.961%0.61260%0.6SS**Hα-helixtrans-65.9-43.5176.4-178.7-102.3000112.2M310 L311 L312 H316 Q317 A318M310-Y314 WeakPolarHBondContact O-CB 3.41Å; M310-Y314 PolarHBondContact O-N 3.48Å; L311-Y314 PolarHBondContact O-N 3.2Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 PolarHBondContact O-N 3.11Å; Y314-H316 VanDerWaalsContact C-N 3.28Å; Y314-H316 PolarHBondContact O-N 3.27Å; Y314-Q317 PolarHBondContact O-N 3.17Å; Y314-A318 VanDerWaalsContact O-CB 3.28Å; Y314-A318 WeakPolarHBondContact O-CB 3.4Å; Y314-A318 PolarHBondContact O-N 3.49Å
315L81.1Confident70.6Confident60 Ų60122.1 Ų122.131%0.31462%0.619SS.*Hα-helixtrans-62.8-36.1174.2-106.567.3000112.2L311 L312 G319 W320L311-L315 HydrophobicContact CG-CD1 4.3Å; L311-L315 WeakPolarHBondContact O-CB 3.36Å; L311-L315 PolarHBondContact O-N 3.28Å; L312-L315 PolarHBondContact O-N 3.3Å; L315-G319 PolarHBondContact O-N 3.39Å; L315-W320 HydrophobicContact CD2-CE3 3.79Å; L315-W320 HydrophobicContact CD2-CZ3 4.11Å; L315-W320 HydrophobicContact CG-CE3 4.45Å
316H75.8Confident69.1Low150 Ų150124.8 Ų124.869%0.69463%0.63SS**Hα-helixtrans-66.1-43.5174.1-175.3-91000111.6L312 V313 Y314 G319L312-H316 WeakPolarHBondContact O-CB 3.39Å; L312-H316 PolarHBondContact O-N 3.15Å; V313-H316 WeakPolarHBondContact O-CB 3.47Å; V313-H316 PolarHBondContact O-N 3.44Å; Y314-H316 VanDerWaalsContact C-N 3.28Å; Y314-H316 PolarHBondContact O-N 3.27Å; H316-G319 PolarHBondContact O-N 3.11Å
317Q68.7Low67.2Low151 Ų151123.7 Ų123.771%0.70664%0.638SS**Hα-helixtrans-69.3-33.2175.6-76.3-178.12.200113.4V313 Y314 G319V313-Q317 PolarHBondContact O-N 3.39Å; Y314-Q317 PolarHBondContact O-N 3.17Å; Q317-G319 PolarHBondContact O-N 3.49Å
318A69.1Low65.1Low66 Ų66123.3 Ų123.355%0.54565%0.654SS.*THydrogen-bonded Turntrans-73-4.3177.600000113.3Y314 W320Y314-A318 VanDerWaalsContact O-CB 3.28Å; Y314-A318 WeakPolarHBondContact O-CB 3.4Å; Y314-A318 PolarHBondContact O-N 3.49Å; A318-W320 PolarHBondContact O-N 3.3Å
319G60.6Low62.9Low54 Ų54131.4 Ų131.456%0.55768%0.683SS**THydrogen-bonded Turntrans70.127.1171.800000114.3L315 H316 Q317 F321L315-G319 PolarHBondContact O-N 3.39Å; H316-G319 PolarHBondContact O-N 3.11Å; Q317-G319 PolarHBondContact O-N 3.49Å; G319-F321 PolarHBondContact O-N 3.04Å
320W63.6Low61.1Low189 Ų189137.9 Ų137.972%0.71671%0.705SS**  trans-70.5-8.8-178.7-173.658.8000113.9L315 A318L315-W320 HydrophobicContact CD2-CE3 3.79Å; L315-W320 HydrophobicContact CD2-CZ3 4.11Å; L315-W320 HydrophobicContact CG-CE3 4.45Å; A318-W320 PolarHBondContact O-N 3.3Å
321F51.3Low59.2Low151 Ų151140.6 Ų140.666%0.66272%0.715SS**SBendtrans-89.4119.4166.7-81.8-80.8000110.3G319 F323G319-F321 PolarHBondContact O-N 3.04Å; F321-F323 PolarHBondContact O-N 2.93Å
322P53.6Low57.1Low122 Ų122140.4 Ų140.479%0.79273%0.729SS**SBendtrans-78.946.8-179.436.1-36.9000111.8
323F52.3Low54.8Low199 Ų199138.8 Ų138.887%0.87373%0.733SS**  trans-119.359.5172-114.8-88.6000109F321 Q325F321-F323 PolarHBondContact O-N 2.93Å; F323-Q325 PolarHBondContact O-N 3.46Å
324R45Very low52.7Low230 Ų230142.6 Ų142.687%0.86875%0.751SS**  trans-87.395.4165-161.9169.8-169.7-1781107.4E326R324-E326 PolarHBondContact O-N 2.87Å; R324-E326 VanDerWaalsContact O-N 3.16Å
325Q41Very low50.7Low185 Ų185142.9 Ų142.986%0.86476%0.763SS**  trans-55.3113.8157.3-136.8170.720.800106.8F323 G327F323-Q325 PolarHBondContact O-N 3.46Å; Q325-G327 PolarHBondContact O-N 2.9Å
326E48.6Very low48.6Very low198 Ų198146.4 Ų146.493%0.92579%0.787SS**  trans-63.386.8166.2-82.1162.2113.500108.7R324R324-E326 PolarHBondContact O-N 2.87Å; R324-E326 VanDerWaalsContact O-N 3.16Å
327G41.4Very low46.6Very low69 Ų69147.4 Ų147.471%0.71179%0.792SS**  trans-110.6103.4165.700000108.4Q325Q325-G327 PolarHBondContact O-N 2.9Å
328G38.9Very low45.3Very low70 Ų70147 Ų14772%0.72280%0.799SS**  trans-60.6143.5-161.700000117.2Q330G328-Q330 VanDerWaalsContact C-N 3.29Å; G328-Q330 PolarHBondContact O-N 3.47Å
329Q36.9Very low43.5Very low202 Ų202151.3 Ų151.394%0.94481%0.813SS**  trans-68.687.1152.1-74.5-168.5-48.100109.2
330Q43.3Very low42.4Very low188 Ų188158.8 Ų158.888%0.87983%0.825SS**  trans-99.581.6161.1-87.5169.3-9.100109.1G328G328-Q330 VanDerWaalsContact C-N 3.29Å; G328-Q330 PolarHBondContact O-N 3.47Å
331Q42.2Very low40.9Very low199 Ų199157 Ų15793%0.9383%0.829SS**  trans-137.367.5163.5-100.1179.5-10.100109.1
332A39.3Very low40Very low101 Ų101153.1 Ų153.184%0.83583%0.832SS**  trans-169.174.3162.700000111.5
333A35.4Very low39Very low90 Ų90156.7 Ų156.774%0.74484%0.838SS**  trans-165.450.216100000112.7N335A333-N335 PolarHBondContact O-N 2.95Å
334N37.2Very low38.1Very low165 Ų165154.2 Ų154.288%0.88283%0.834SS**  trans-92.579.3163.3-84.5-36.8000108.5
335N38.6Very low38Very low161 Ų161149.3 Ų149.386%0.86183%0.829SS**  trans-175.579.1158.2-90-50.5000107.8A333A333-N335 PolarHBondContact O-N 2.95Å
336V38Very low37.7Very low135 Ų135147.5 Ų147.582%0.81883%0.826SS**  trans-129100.9160.4179.50000108
337E33.8Very low37.1Very low171 Ų171144.4 Ų144.480%0.79982%0.815SS**  trans-20.6128.5153.9-155.589.4166.700113.5N339E337-N339 PolarHBondContact O-N 3.43Å; E337-N339 VanDerWaalsContact O-N 3.11Å
338V41.9Very low37.6Very low142 Ų142146 Ų14686%0.86181%0.813SS**  trans-57109.5164.2169.70000108.7
339N30.2Very low37.9Very low156 Ų156148.4 Ų148.483%0.83481%0.809SS**  trans-142.5123.5150.1-142.7-18000111.2E337E337-N339 PolarHBondContact O-N 3.43Å; E337-N339 VanDerWaalsContact O-N 3.11Å
340R37Very low38.5Very low211 Ų211146 Ų14680%0.79680%0.803SS**  trans-91.6127.2-177.2175.3-177.9178.7115.8-2.7105.9
341D32.8Very low38.8Very low152 Ų152143.6 Ų143.681%0.81379%0.791SS**  trans168.3132.5134.8-83.1-34.3000111.6
342G32.3Very low39.2Very low70 Ų70140.6 Ų140.672%0.72278%0.777SS**  trans85.490.414300000119.3
343Q32.8Very low39.5Very low196 Ų196143.3 Ų143.392%0.91677%0.774SS**  96.2119122.9-152.3162.2-9.500119.5
344N33.5Very low40.2Very low147 Ų147146.5 Ų146.579%0.78677%0.774SS**  trans111.8100.9148.8-144.710.8000116.8
345V42.1Very low40.7Very low128 Ų128148.1 Ų148.178%0.77677%0.768SS**  trans-70.8126169.61760000108.3
346N34.7Very low41.2Very low147 Ų147147.7 Ų147.779%0.78677%0.765SS**  trans-178.698.8150.6-93-57.5000108.5
347N37.2Very low41.7Very low132 Ų132149.9 Ų149.971%0.70677%0.768SS**  trans-125.5108165-136.277.2000106.9D349N347-D349 VanDerWaalsContact C-N 3.27Å; N347-D349 PolarHBondContact O-N 3.4Å
348P50.7Low42.3Very low103 Ų103148.5 Ų148.567%0.66977%0.766SS**THydrogen-bonded Turntrans-79.97.3-16930.6-34.7000115.6
349D45.3Very low42.3Very low120 Ų120149.2 Ų149.264%0.64277%0.765SS**THydrogen-bonded Turntrans-84.6-12.8-174.8-94.6-48.6000114.9N347N347-D349 VanDerWaalsContact C-N 3.27Å; N347-D349 PolarHBondContact O-N 3.4Å
350L49.4Very low42.8Very low153 Ų153144.7 Ų144.780%0.80176%0.755SS**SBendtrans-92.6-14.4-175.7-116.5131.6000113.9
351E50Low43Very low137 Ų137142 Ų14264%0.6476%0.755SS**SBendtrans-94.6-11.5178.3-83171.1100.800113.7
352E51.4Low43.3Very low136 Ų136142.5 Ų142.564%0.63676%0.758SS**SBendtrans-84.7-26.3177.8-158.1172.1-168.400112.3E354E352-E354 VanDerWaalsContact C-N 3.34Å
353M45.3Very low43.7Very low157 Ų157147.5 Ų147.577%0.77376%0.763SS**SBendtrans-76.4-20.1177-169.8164.7-75.800113.2
354E49.2Very low43.9Very low157 Ų157144.6 Ų144.673%0.73475%0.753SS**SBendtrans-84.8-15178.2-164.2166.9179.100112.9E352E352-E354 VanDerWaalsContact C-N 3.34Å
355R49.1Very low43.9Very low199 Ų199143.8 Ų143.875%0.75175%0.749SS**SBendtrans-92.1-9.4179.4-79.9-171.3173.8130.73.1115.7
356L48.3Very low43.4Very low153 Ų153141.3 Ų141.380%0.80175%0.749SS**SBendtrans-97.7-1.9-178.8-72.6169.8000113.9
357M49Very low43.4Very low181 Ų181143 Ų14389%0.89275%0.752SS**SBendtrans-101.42.7173.5-83-170.9-166.800114
358D46Very low43.4Very low141 Ų141144.3 Ų144.375%0.75476%0.759SS**SBendtrans-130.554.1-176.3-166.551.1000111.5
359D42.8Very low42.6Very low157 Ų157143.6 Ų143.684%0.8476%0.762SS**  trans-154.861.6157.4-152.129.1000110.2
360G40Very low41.9Very low61 Ų61141.6 Ų141.663%0.62977%0.77SS**  trans-112.5133.6164.800000108.6
361I41.5Very low41.3Very low155 Ų155142.8 Ų142.880%0.79577%0.772SS**  trans97.784.5168.9-39.8147.5000114.1
362D37.8Very low40.5Very low163 Ų163143.4 Ų143.487%0.87278%0.78SS**  trans-123.2124143.6-90.3-39.9000108.8
363E42.1Very low39.6Very low175 Ų175141.2 Ų141.282%0.81879%0.785SS**  trans-83.6155.6175.9-65.6-166.7150.900111.8
364D37.2Very low39.1Very low135 Ų135140.2 Ų140.272%0.72278%0.782SS**  trans101.8126.9139.8-154.839.6000121.3
365N32.3Very low38.3Very low129 Ų129138.1 Ų138.169%0.6978%0.781SS**  trans68.1128.4148.4-99.3-40.8000124
366G32.5Very low38.1Very low76 Ų76136.6 Ų136.678%0.78478%0.782SS**  trans168.788.116400000113.5
367E35.3Very low37.5Very low182 Ų182137.7 Ų137.785%0.8578%0.783SS**  trans-63146.9179.2-52.2166.315200114
368D35.4Very low37.3Very low160 Ų160136.6 Ų136.686%0.85678%0.776SS**  140.2131.6125.4-159.128.5000117.2
369A34Very low37.4Very low88 Ų88134.5 Ų134.573%0.72777%0.77SS**  trans46.4125.2154.300000123.3
370G30.5Very low38.1Very low79 Ų79129.1 Ų129.181%0.81475%0.751SS**  trans166.759.2158.500000116.7
371E37.3Very low39.1Very low178 Ų178134.8 Ų134.883%0.83276%0.759SS**  trans2.1141.5154.4-56.3173.4161.800121.3
372D32.5Very low39.9Very low150 Ų150135.2 Ų135.280%0.80276%0.759SS**  trans72.4104.2147.7-64.2-21.6000121
373A33.1Very low41.2Very low90 Ų90129.7 Ų129.774%0.74474%0.736SS**  169.7125.491.100000110.7T375A373-T375 PolarHBondContact O-N 2.96Å
374N34.8Very low42.4Very low136 Ų136123.5 Ų123.573%0.72771%0.712SS**  trans-55118.2164.5-175.2-19.2000109.9E376N374-E376 PolarHBondContact OD1-N 3.26Å
375T33.5Very low43.9Very low113 Ų113119 Ų11969%0.69369%0.694SS**  trans-137.8101.2147.5-49.40000106.7A373 Q377A373-T375 PolarHBondContact O-N 2.96Å; T375-Q377 VanDerWaalsContact C-N 3.25Å; T375-Q377 PolarHBondContact O-N 3.5Å
376E43.8Very low45.7Very low167 Ų167121.2 Ų121.278%0.7869%0.693SS**  trans-42.792.9155.8-81.5170.381.100109.8N374 Q378N374-E376 PolarHBondContact OD1-N 3.26Å; E376-Q378 VanDerWaalsContact C-N 3.33Å; E376-Q378 PolarHBondContact O-N 2.91Å
377Q36.6Very low47.8Very low176 Ų176121 Ų12182%0.82268%0.68SS**  trans-80.793.6160.8-89.6173.8-17.400106.3T375 P379T375-Q377 VanDerWaalsContact C-N 3.25Å; T375-Q377 PolarHBondContact O-N 3.5Å; Q377-P379 VanDerWaalsContact O-N 3.16Å
378Q43.9Very low49.8Very low158 Ų158120 Ų12074%0.73867%0.673SS**  trans-39122.9162-69.4175.8-5.400108.4E376 G380E376-Q378 VanDerWaalsContact C-N 3.33Å; E376-Q378 PolarHBondContact O-N 2.91Å; Q378-G380 PolarHBondContact O-N 2.97Å
379P48.8Very low51.7Low97 Ų97116.5 Ų116.563%0.6365%0.653SS**  trans-59.2112.9169.524.3-30.5000105.4Q377 F381 A383Q377-P379 VanDerWaalsContact O-N 3.16Å; P379-F381 PolarHBondContact O-N 3.38Å; P379-A383 HydrophobicContact CB-CB 4.1Å
380G56.7Low53.5Low43 Ų43115.3 Ų115.344%0.44364%0.637SS.*  trans-49.3147.6-175.200000109.7Q378 M382 A383 S384Q378-G380 PolarHBondContact O-N 2.97Å; G380-M382 CarbonylContact O-C 3.55Å; G380-M382 PolarHBondContact O-N 3.39Å; G380-A383 WeakPolarHBondContact O-CA 3.35Å; G380-A383 WeakPolarHBondContact O-CB 3.4Å; G380-A383 PolarHBondContact O-N 3.44Å; G380-S384 PolarHBondContact O-N 2.96Å
381F60.6Low55.6Low180 Ų180115.9 Ų115.979%0.78962%0.624SS**Hα-helixtrans-46.9-24.5-178.1-74.3-87.9000114.2P379 S384 A385P379-F381 PolarHBondContact O-N 3.38Å; F381-S384 WeakPolarHBondContact CA-OG 3.49Å; F381-S384 PolarHBondContact O-OG 3.03Å; F381-A385 WeakPolarHBondContact O-CB 3.32Å; F381-A385 PolarHBondContact O-N 3.03Å
382M59.2Low57.3Low164 Ų164113.5 Ų113.581%0.80861%0.612SS**Hα-helixtrans-71.4-41.2170.9-76.4-65.1-156.200114.6G380 A385 W386G380-M382 CarbonylContact O-C 3.55Å; G380-M382 PolarHBondContact O-N 3.39Å; M382-A385 PolarHBondContact O-N 3.36Å; M382-W386 WeakPolarHBondContact O-CB 3.18Å; M382-W386 PolarHBondContact O-N 3.44Å
383A64.3Low59.1Low47 Ų47112.5 Ų112.539%0.38860%0.6SS.*Hα-helixtrans-67.4-40.3176.600000111.3P379 G380 W386 S387P379-A383 HydrophobicContact CB-CB 4.1Å; G380-A383 WeakPolarHBondContact O-CA 3.35Å; G380-A383 WeakPolarHBondContact O-CB 3.4Å; G380-A383 PolarHBondContact O-N 3.44Å; A383-W386 PolarHBondContact O-N 3.03Å; A383-S387 PolarHBondContact O-N 3.37Å; A383-S387 PolarHBondContact O-OG 3.27Å; A383-S387 VanDerWaalsContact O-OG 3.11Å
384S68Low60.7Low45 Ų45112.2 Ų112.232%0.31559%0.589SS.*Hα-helixtrans-69.5-41174.154.20000112.2G380 F381 W386 S387 F388G380-S384 PolarHBondContact O-N 2.96Å; F381-S384 WeakPolarHBondContact CA-OG 3.49Å; F381-S384 PolarHBondContact O-OG 3.03Å; S384-W386 VanDerWaalsContact C-N 3.3Å; S384-W386 PolarHBondContact O-N 3.33Å; S384-S387 PolarHBondContact O-N 3.29Å; S384-F388 WeakPolarHBondContact O-CD2 3.38Å; S384-F388 PolarHBondContact O-N 2.94Å
385A69.1Low62Low42 Ų42110.3 Ų110.335%0.34759%0.587SS.*Hα-helixtrans-62.5-37.3172.300000112.2F381 M382 F388 I389F381-A385 WeakPolarHBondContact O-CB 3.32Å; F381-A385 PolarHBondContact O-N 3.03Å; M382-A385 PolarHBondContact O-N 3.36Å; A385-F388 PolarHBondContact O-N 3.45Å; A385-I389 WeakPolarHBondContact O-CB 3.46Å; A385-I389 VanDerWaalsContact O-CG1 3.28Å; A385-I389 WeakPolarHBondContact O-CG1 3.44Å; A385-I389 PolarHBondContact O-N 3.06Å
386W70.4Confident63.2Low175 Ų175110 Ų11066%0.66358%0.58SS**Hα-helixtrans-66.7-42.8176.2-173.2-111.7000111.8M382 A383 S384 I389 T390M382-W386 WeakPolarHBondContact O-CB 3.18Å; M382-W386 PolarHBondContact O-N 3.44Å; A383-W386 PolarHBondContact O-N 3.03Å; S384-W386 VanDerWaalsContact C-N 3.3Å; S384-W386 PolarHBondContact O-N 3.33Å; W386-I389 PolarHBondContact O-N 3Å; W386-T390 WeakPolarHBondContact O-CB 3.35Å; W386-T390 PolarHBondContact O-N 2.95Å; W386-T390 PolarHBondContact O-OG1 3.44Å
387S75.3Confident64Low72 Ų72107.9 Ų107.950%0.50357%0.573SS.*Hα-helixtrans-63.6-40.8172.5-62.20000111.9A383 S384 I389 T390 T391A383-S387 PolarHBondContact O-N 3.37Å; A383-S387 PolarHBondContact O-OG 3.27Å; A383-S387 VanDerWaalsContact O-OG 3.11Å; S384-S387 PolarHBondContact O-N 3.29Å; S387-I389 PolarHBondContact O-N 3.11Å; S387-T390 PolarHBondContact O-N 3.38Å; S387-T391 WeakPolarHBondContact O-CB 3.43Å; S387-T391 PolarHBondContact O-N 3.04Å; S387-T391 PolarHBondContact O-OG1 2.95Å
388F77.4Confident64.4Low161 Ų161105 Ų10571%0.70657%0.57SS**Hα-helixtrans-61.6-44.5175.4-98.9-78.2000112.6S384 A385 F392S384-F388 WeakPolarHBondContact O-CD2 3.38Å; S384-F388 PolarHBondContact O-N 2.94Å; A385-F388 PolarHBondContact O-N 3.45Å; F388-F392 WeakPolarHBondContact O-CB 3.34Å; F388-F392 PolarHBondContact O-N 2.92Å
389I76.4Confident65Low86 Ų86106.5 Ų106.544%0.44158%0.577SS.*Hα-helixtrans-64.4-45.3177.5-72.1165.7000110.1A385 W386 S387 F392 F393A385-I389 WeakPolarHBondContact O-CB 3.46Å; A385-I389 VanDerWaalsContact O-CG1 3.28Å; A385-I389 WeakPolarHBondContact O-CG1 3.44Å; A385-I389 PolarHBondContact O-N 3.06Å; W386-I389 PolarHBondContact O-N 3Å; S387-I389 PolarHBondContact O-N 3.11Å; I389-F392 PolarHBondContact O-N 3.29Å; I389-F393 HydrophobicContact CG2-CD2 3.87Å; I389-F393 HydrophobicContact CG2-CE2 3.93Å; I389-F393 WeakPolarHBondContact O-CD2 3.37Å; I389-F393 PolarHBondContact O-N 3.4Å
390T70.5Confident65.3Low62 Ų62104.6 Ų104.638%0.3858%0.575SS.*Hα-helixtrans-64.7-46.2-178.3-48.80000111.1W386 S387 F392 F393 T394W386-T390 WeakPolarHBondContact O-CB 3.35Å; W386-T390 PolarHBondContact O-N 2.95Å; W386-T390 PolarHBondContact O-OG1 3.44Å; S387-T390 PolarHBondContact O-N 3.38Å; T390-F392 VanDerWaalsContact C-N 3.33Å; T390-F392 PolarHBondContact O-N 3.48Å; T390-F393 PolarHBondContact O-N 3.35Å; T390-T394 HydrophobicContact CG2-CG2 4.46Å; T390-T394 WeakPolarHBondContact O-CG2 3.31Å; T390-T394 PolarHBondContact O-N 3.46Å; T390-T394 PolarHBondContact O-OG1 2.97Å
391T74.8Confident65Low91 Ų91108.1 Ų108.156%0.55859%0.59SS**Hα-helixtrans-66.9-32176.9-55.40000112.6S387 T394 S395S387-T391 WeakPolarHBondContact O-CB 3.43Å; S387-T391 PolarHBondContact O-N 3.04Å; S387-T391 PolarHBondContact O-OG1 2.95Å; T391-T394 WeakPolarHBondContact CA-OG1 3.36Å; T391-T394 PolarHBondContact O-OG1 3.21Å; T391-T394 VanDerWaalsContact O-OG1 3.06Å; T391-S395 WeakPolarHBondContact O-CB 3.48Å; T391-S395 PolarHBondContact O-N 2.84Å
392F74.6Confident64.7Low128 Ų128105.3 Ų105.356%0.56159%0.59SS**Hα-helixtrans-66.3-42.4174.8-179.6-97.3000111.8F388 I389 T390 S395 L396F388-F392 WeakPolarHBondContact O-CB 3.34Å; F388-F392 PolarHBondContact O-N 2.92Å; I389-F392 PolarHBondContact O-N 3.29Å; T390-F392 VanDerWaalsContact C-N 3.33Å; T390-F392 PolarHBondContact O-N 3.48Å; F392-S395 PolarHBondContact O-N 3.36Å; F392-L396 HydrophobicContact CD1-CD1 3.9Å; F392-L396 HydrophobicContact CE1-CD1 3.53Å; F392-L396 HydrophobicContact CZ-CD1 4.09Å; F392-L396 WeakPolarHBondContact O-CG 3.4Å; F392-L396 PolarHBondContact O-N 2.97Å
393F70.1Confident63.8Low130 Ų130106.6 Ų106.657%0.5759%0.594SS**Hα-helixtrans-76.5-31.3178.1-77.8-73.2000113.1I389 T390 S395 L396I389-F393 HydrophobicContact CG2-CD2 3.87Å; I389-F393 HydrophobicContact CG2-CE2 3.93Å; I389-F393 WeakPolarHBondContact O-CD2 3.37Å; I389-F393 PolarHBondContact O-N 3.4Å; T390-F393 PolarHBondContact O-N 3.35Å; F393-S395 VanDerWaalsContact C-N 3.32Å; F393-L396 HydrophobicContact CD1-CD1 4.06Å; F393-L396 HydrophobicContact CE1-CD1 4.33Å; F393-L396 PolarHBondContact O-N 3.04Å
394T65.7Low63.1Low83 Ų83111 Ų11151%0.50962%0.616SS.*Hα-helixtrans-69.5-32.5172.165.70000111.4T390 T391 L396 I397T390-T394 HydrophobicContact CG2-CG2 4.46Å; T390-T394 WeakPolarHBondContact O-CG2 3.31Å; T390-T394 PolarHBondContact O-N 3.46Å; T390-T394 PolarHBondContact O-OG1 2.97Å; T391-T394 WeakPolarHBondContact CA-OG1 3.36Å; T391-T394 PolarHBondContact O-OG1 3.21Å; T391-T394 VanDerWaalsContact O-OG1 3.06Å; T394-L396 VanDerWaalsContact C-N 3.26Å; T394-L396 PolarHBondContact O-N 3.07Å; T394-I397 PolarHBondContact O-N 2.88Å
395S61.8Low62.3Low96 Ų96112.1 Ų112.167%0.67163%0.634SS**THydrogen-bonded Turntrans-70.6-16.7173.71770000114.1T391 F392 F393T391-S395 WeakPolarHBondContact O-CB 3.48Å; T391-S395 PolarHBondContact O-N 2.84Å; F392-S395 PolarHBondContact O-N 3.36Å; F393-S395 VanDerWaalsContact C-N 3.32Å
396L59.6Low60.9Low106 Ų106121.8 Ų121.856%0.55568%0.68SS**THydrogen-bonded Turntrans-87.2-6.3179.4-79.5167.5000113.3F392 F393 T394 P398F392-L396 HydrophobicContact CD1-CD1 3.9Å; F392-L396 HydrophobicContact CE1-CD1 3.53Å; F392-L396 HydrophobicContact CZ-CD1 4.09Å; F392-L396 WeakPolarHBondContact O-CG 3.4Å; F392-L396 PolarHBondContact O-N 2.97Å; F393-L396 HydrophobicContact CD1-CD1 4.06Å; F393-L396 HydrophobicContact CE1-CD1 4.33Å; F393-L396 PolarHBondContact O-N 3.04Å; T394-L396 VanDerWaalsContact C-N 3.26Å; T394-L396 PolarHBondContact O-N 3.07Å; L396-P398 WeakPolarHBondContact O-CD 3.47Å
397I59.6Low60.5Low124 Ų124119.2 Ų119.264%0.63668%0.681SS**SBendtrans-90.7113.8171.5-62.9157.1000106.7T394 E399T394-I397 PolarHBondContact O-N 2.88Å; I397-E399 PolarHBondContact O-N 2.65Å
398P46.1Very low59.7Low116 Ų116121.6 Ų121.675%0.75369%0.69SS**  trans-66.8124.6178.8-12.226.1000109.6L396 G400L396-P398 WeakPolarHBondContact O-CD 3.47Å; P398-G400 PolarHBondContact O-N 2.85Å; P398-G400 VanDerWaalsContact O-N 3.11Å
399E56.7Low58.7Low188 Ų188119.4 Ų119.488%0.87969%0.69SS**  trans-51.3115.5161.6-71.4-70.9166.300108.5I397I397-E399 PolarHBondContact O-N 2.65Å
400G55.6Low57.7Low58 Ų58121.4 Ų121.460%0.59870%0.704SS**PPolyproline II helixtrans-67150.7174.300000110.8P398P398-G400 PolarHBondContact O-N 2.85Å; P398-G400 VanDerWaalsContact O-N 3.11Å
401P49Very low56.9Low116 Ų116125.1 Ų125.175%0.75372%0.724SS**PPolyproline II helixtrans-64.4152.3-170.626.6-33.4000112.5Q403P401-Q403 PolarHBondContact O-N 2.85Å
402P55.4Low55.7Low122 Ų122127.4 Ų127.479%0.79274%0.735SS**PPolyproline II helixtrans-62.7126178.125.8-32.9000110.3V404P402-V404 PolarHBondContact O-N 3.2Å
403Q40.5Very low54.3Low190 Ų190127.4 Ų127.489%0.88875%0.748SS**  trans-67.4112.4171.6-62.2-93.825.300108.2P401 G405P401-Q403 PolarHBondContact O-N 2.85Å; Q403-G405 PolarHBondContact O-N 3.29Å
404V49.4Very low53.1Low141 Ų141127.2 Ų127.286%0.85576%0.762SS**  trans-71.2107.8166.7-172.70000107.1P402P402-V404 PolarHBondContact O-N 3.2Å
405G50.7Low52.1Low68 Ų68130.8 Ų130.870%0.70178%0.783SS**  trans-86.3132.4168.100000110.4Q403Q403-G405 PolarHBondContact O-N 3.29Å
406N40.5Very low51.2Low245 Ų245134 Ų134100%1.3179%0.793SS**  trans-50.50171.4-97.9-53.6000113.7

Retrieved 406 of 406 residues in 92.3 ms (Link to these results)

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