A0A096N0G9_PAPAN Loading...

Paired box protein Pax-4

AlphaFold DB (A0A2I3MMX3), UniProt , Accession A0A096N0G9, Species PAPAN (Papio anubis, Olive baboon), Gene PAX4, Length 351 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
1M33.7Very low67.6Low235 Ų235129.7 Ų129.7100%1.15868%0.678SS**  099.20-67.2177.5175.100108Q3M1-Q3 PolarHBondContact O-N 3.37Å
2Q39.3Very low69.7Low174 Ų174124.9 Ų124.981%0.81365%0.653SS**  trans-61.6121.2157-84.483.4-5.800106.6D4Q2-D4 PolarHBondContact O-N 2.77Å
3Q43.3Very low71.3Confident185 Ų185117.4 Ų117.486%0.86462%0.624SS**  trans-76.8110.3153.7-75.9-178.3-10.700105.4M1 G5M1-Q3 PolarHBondContact O-N 3.37Å; Q3-G5 VanDerWaalsContact C-N 3.3Å; Q3-G5 PolarHBondContact O-N 2.78Å
4D48.4Very low72.8Confident151 Ų151109.6 Ų109.681%0.80759%0.586SS**  trans-59.3101.7162.2-70.3-50.5000106.9Q2 I6Q2-D4 PolarHBondContact O-N 2.77Å; D4-I6 PolarHBondContact O-N 2.79Å
5G58.6Low74.1Confident40 Ų40110.1 Ų110.141%0.41259%0.588SS.*  trans-65.6110-17200000108.8Q3 S7Q3-G5 VanDerWaalsContact C-N 3.3Å; Q3-G5 PolarHBondContact O-N 2.78Å; G5-S7 PolarHBondContact O-N 3.28Å
6I71.9Confident75.3Confident156 Ų156107.7 Ų107.780%0.857%0.571SS**  trans-44106.2-177.6-58.4170.5000109D4 S8D4-I6 PolarHBondContact O-N 2.79Å; I6-S8 PolarHBondContact O-N 2.78Å
7S81.8Confident76.3Confident78 Ų78104.9 Ų104.955%0.54556%0.558SS.*EExtended strand (participates in β ladder)trans-73.7113-178.4500000108.1G5G5-S7 PolarHBondContact O-N 3.28Å
8S88.6Confident77Confident42 Ų42105.6 Ų105.629%0.29456%0.562SS.*EExtended strand (participates in β ladder)trans-87.9148.1176-170.10000109.2I6 L15 F16I6-S8 PolarHBondContact O-N 2.78Å; S8-L15 CarbonylContact O-C 3.58Å; S8-L15 WeakPolarHBondContact O-CA 3.24Å; S8-F16 PolarHBondContact N-O 3.49Å; S8-F16 WeakPolarHBondContact O-CD1 3.39Å; S8-F16 PolarHBondContact O-N 2.62Å
9M93.3Very high77.4Confident120 Ų120103.6 Ų103.659%0.59157%0.569SS**EExtended strand (participates in β ladder)trans-103.4131.4173.7-173.8172.3-75.500109.5G14 L15M9-G14 WeakPolarHBondContact CA-O 3.31Å; M9-L15 HydrophobicContact CB-CD2 4.36Å; M9-L15 HydrophobicContact CE-CD2 3.81Å
10N92.1Very high78.1Confident39 Ų39107.8 Ų107.821%0.20958%0.576CS.*PPolyproline II helixtrans-85.1171.9176.470.237.5000111.8L12 G13 G14 F16 K48N10-L12 PolarHBondContact O-N 2.8Å; N10-L12 WeakPolarHBondContact OD1-CA 3.42Å; N10-L12 WeakPolarHBondContact OD1-CB 3.36Å; N10-L12 PolarHBondContact OD1-N 3.49Å; N10-G13 PolarHBondContact O-N 3.38Å; N10-G13 PolarHBondContact OD1-N 3.4Å; N10-G14 VanDerWaalsContact CG-O 3.26Å; N10-G14 PolarHBondContact N-O 2.85Å; N10-G14 PolarHBondContact ND2-O 3Å; N10-G14 PolarHBondContact OD1-N 3.31Å; N10-F16 HydrophobicContact CB-CD1 4.03Å; N10-F16 HydrophobicContact CB-CE1 3.87Å; N10-K48 PolarHBondContact ND2-O 2.73Å; N10-K48 PolarHBondContact OD1-O 3.17Å
11Q93.3Very high78.8Confident207 Ų207105.1 Ų105.197%0.96757%0.565SS**THydrogen-bonded Turntrans-60.5-15179.7-68.8174.5-26.200115
12L91.9Very high81.7Confident72 Ų7295.4 Ų95.438%0.37752%0.518SS..THydrogen-bonded Turntrans-94.65.2175.3-57.1169.2000112.1N10 G14 K48 V49N10-L12 PolarHBondContact O-N 2.8Å; N10-L12 WeakPolarHBondContact OD1-CA 3.42Å; N10-L12 WeakPolarHBondContact OD1-CB 3.36Å; N10-L12 PolarHBondContact OD1-N 3.49Å; L12-G14 VanDerWaalsContact C-N 3.32Å; L12-K48 HydrophobicContact CB-CB 4.17Å; L12-K48 WeakPolarHBondContact O-CB 3.28Å; L12-K48 WeakPolarHBondContact O-CD 3.44Å; L12-K48 VanDerWaalsContact O-CG 3.3Å; L12-K48 WeakPolarHBondContact O-CG 3.47Å; L12-V49 WeakPolarHBondContact CD1-O 3.33Å
13G91.2Very high84.3Confident27 Ų2790.8 Ų90.828%0.27850%0.502SS..SBendtrans74.918-176.400000114.2N10N10-G13 PolarHBondContact O-N 3.38Å; N10-G13 PolarHBondContact OD1-N 3.4Å
14G91.8Very high86.7Confident8 Ų885 Ų858%0.08248%0.477CS..  trans-94.4136.3179.100000112.5M9 N10 L12 K48M9-G14 WeakPolarHBondContact CA-O 3.31Å; N10-G14 VanDerWaalsContact CG-O 3.26Å; N10-G14 PolarHBondContact N-O 2.85Å; N10-G14 PolarHBondContact ND2-O 3Å; N10-G14 PolarHBondContact OD1-N 3.31Å; L12-G14 VanDerWaalsContact C-N 3.32Å; G14-K48 WeakPolarHBondContact CA-O 3.18Å
15L92.6Very high88.9Confident118 Ų11883.1 Ų83.162%0.61847%0.467SS*.EExtended strand (participates in β ladder)trans-78.9139178-61.4176.4000111.4S8 M9S8-L15 CarbonylContact O-C 3.58Å; S8-L15 WeakPolarHBondContact O-CA 3.24Å; M9-L15 HydrophobicContact CB-CD2 4.36Å; M9-L15 HydrophobicContact CE-CD2 3.81Å
16F93Very high90.6Very high71 Ų7183.1 Ų83.131%0.31146%0.459SS..EExtended strand (participates in β ladder)trans-151.2162.3175.673.3-75.1000111.7S8 N10 N18S8-F16 PolarHBondContact N-O 3.49Å; S8-F16 WeakPolarHBondContact O-CD1 3.39Å; S8-F16 PolarHBondContact O-N 2.62Å; N10-F16 HydrophobicContact CB-CD1 4.03Å; N10-F16 HydrophobicContact CB-CE1 3.87Å; F16-N18 WeakPolarHBondContact CE2-OD1 3.41Å
17V92.2Very high91.8Very high60 Ų6076.9 Ų76.936%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-115.9124.4176.5-177.90000109.1R20V17-R20 HydrophobicContact CB-CB 4.04Å; V17-R20 HydrophobicContact CB-CG 4.08Å; V17-R20 HydrophobicContact CG1-CB 4.14Å; V17-R20 HydrophobicContact CG1-CG 3.62Å; V17-R20 PolarHBondContact O-N 3.23Å
18N88.6Confident92.6Very high117 Ų11776.3 Ų76.363%0.62641%0.414SS*.THydrogen-bonded Turntrans-59.2137.3-178.8-84-53.5000111.9F16 R20F16-N18 WeakPolarHBondContact CE2-OD1 3.41Å; N18-R20 PolarHBondContact O-N 3.01Å; N18-R20 VanDerWaalsContact O-N 3.12Å
19G86.1Confident93Very high68 Ų6877.1 Ų77.170%0.70141%0.413SS*.THydrogen-bonded Turntrans69.6-1.7-178.500000115.8
20R90Very high93.2Very high188 Ų18871.4 Ų71.471%0.70939%0.385SS*.SBendtrans-101.5152.3177.2-63.7-60.3-173.4-177.81.2111.5V17 N18V17-R20 HydrophobicContact CB-CB 4.04Å; V17-R20 HydrophobicContact CB-CG 4.08Å; V17-R20 HydrophobicContact CG1-CB 4.14Å; V17-R20 HydrophobicContact CG1-CG 3.62Å; V17-R20 PolarHBondContact O-N 3.23Å; N18-R20 PolarHBondContact O-N 3.01Å; N18-R20 VanDerWaalsContact O-N 3.12Å
21P93.2Very high93.5Very high52 Ų5270 Ų7034%0.33838%0.378SS..PPolyproline II helixtrans-72.8145.9174.129.9-28.4000110R27 P69 I72P21-R27 VanDerWaalsContact CB-NH2 3.34Å; P21-P69 HydrophobicContact CB-CB 3.65Å; P21-P69 HydrophobicContact CB-CG 3.86Å; P21-P69 HydrophobicContact CG-CB 4.12Å; P21-P69 HydrophobicContact CG-CG 3.9Å; P21-I72 HydrophobicContact CB-CD1 3.99Å; P21-I72 HydrophobicContact CG-CD1 3.89Å
22L93.9Very high93.7Very high31 Ų3166.1 Ų66.116%0.16235%0.354CS..PPolyproline II helixtrans-52.7139.2169-169.672.7000110.5T26 R27 I30 V49 I57L22-T26 HydrophobicContact CD1-CG2 4.29Å; L22-T26 HydrophobicContact CD2-CG2 3.82Å; L22-T26 HydrophobicContact CG-CG2 4.16Å; L22-R27 HydrophobicContact CB-CG 4.44Å; L22-R27 HydrophobicContact CD2-CG 4.38Å; L22-R27 WeakPolarHBondContact O-CD 3.47Å; L22-R27 PolarHBondContact O-NE 3.36Å; L22-I30 HydrophobicContact CD2-CD1 3.69Å; L22-V49 HydrophobicContact CD1-CG2 4.16Å; L22-V49 HydrophobicContact CD2-CG1 4.1Å; L22-V49 HydrophobicContact CD2-CG2 4.05Å; L22-I57 HydrophobicContact CD2-CD1 3.77Å
23P94Very high94Very high76 Ų7664 Ų6449%0.49434%0.344SS..PPolyproline II helixtrans-53.8151.8-179.8-28.636.4000114.2D25 T26 R27P23-D25 PolarHBondContact O-N 2.97Å; P23-T26 PolarHBondContact O-N 2.91Å; P23-R27 WeakPolarHBondContact O-CG 3Å; P23-R27 PolarHBondContact O-N 3.29Å; P23-R27 VanDerWaalsContact O-N 3.13Å
24L94.3Very high94.3Very high65 Ų6563.4 Ų63.434%0.3434%0.336SS..Hα-helixtrans-61.5-43-175.6-178.954.7000112.1T26 R27 Q28 L67 E68L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 3.35Å; L24-R27 WeakPolarHBondContact O-CB 3.25Å; L24-R27 PolarHBondContact O-N 3.35Å; L24-R27 VanDerWaalsContact O-N 3.07Å; L24-Q28 HydrophobicContact CD1-CG 4.26Å; L24-Q28 HydrophobicContact CG-CG 4.41Å; L24-Q28 WeakPolarHBondContact O-CG 3.33Å; L24-Q28 PolarHBondContact O-N 3.47Å; L24-L67 HydrophobicContact CD1-CB 4.2Å; L24-E68 WeakPolarHBondContact CD1-OE1 3.49Å; L24-E68 WeakPolarHBondContact CD2-OE1 3.32Å
25D94.9Very high94.5Very high111 Ų11168 Ų6859%0.59436%0.362SS*.Hα-helixtrans-59.6-43179.8-50.1-79.6000111.8P23 R27 Q28 Q29P23-D25 PolarHBondContact O-N 2.97Å; D25-R27 VanDerWaalsContact C-N 3.35Å; D25-R27 PolarHBondContact O-N 2.75Å; D25-Q28 PolarHBondContact O-N 2.86Å; D25-Q29 WeakPolarHBondContact O-CB 3.4Å; D25-Q29 PolarHBondContact O-N 2.95Å
26T95.1Very high94.7Very high39 Ų3967 Ų6724%0.23937%0.365CS..Hα-helixtrans-66.5-36.8176.3-36.50000111.6L22 P23 L24 Q29 I30 V49L22-T26 HydrophobicContact CD1-CG2 4.29Å; L22-T26 HydrophobicContact CD2-CG2 3.82Å; L22-T26 HydrophobicContact CG-CG2 4.16Å; P23-T26 PolarHBondContact O-N 2.91Å; L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 3.35Å; T26-Q29 PolarHBondContact O-N 3.04Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.42Å; T26-I30 PolarHBondContact O-N 3.16Å; T26-V49 HydrophobicContact CG2-CG2 3.89Å
27R97Very high94.9Very high26 Ų2666.7 Ų66.710%0.09838%0.382CS..Hα-helixtrans-66.2-43.8174.9-66.1167172.4-112.4-11.6112P21 L22 P23 L24 D25 Q29 I30 V31 I57 L67P21-R27 VanDerWaalsContact CB-NH2 3.34Å; L22-R27 HydrophobicContact CB-CG 4.44Å; L22-R27 HydrophobicContact CD2-CG 4.38Å; L22-R27 WeakPolarHBondContact O-CD 3.47Å; L22-R27 PolarHBondContact O-NE 3.36Å; P23-R27 WeakPolarHBondContact O-CG 3Å; P23-R27 PolarHBondContact O-N 3.29Å; P23-R27 VanDerWaalsContact O-N 3.13Å; L24-R27 WeakPolarHBondContact O-CB 3.25Å; L24-R27 PolarHBondContact O-N 3.35Å; L24-R27 VanDerWaalsContact O-N 3.07Å; D25-R27 VanDerWaalsContact C-N 3.35Å; D25-R27 PolarHBondContact O-N 2.75Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-I30 WeakPolarHBondContact O-CB 3.43Å; R27-I30 PolarHBondContact O-N 2.94Å; R27-V31 PolarHBondContact O-N 3.31Å; R27-V31 VanDerWaalsContact O-N 3.15Å; R27-I57 HydrophobicContact CG-CD1 4.07Å; R27-L67 HydrophobicContact CB-CD2 3.92Å; R27-L67 PolarHBondContact NH1-O 3.12Å; R27-L67 WeakPolarHBondContact O-CD2 3.45Å
28Q97.3Very high95.1Very high65 Ų6567.3 Ų67.330%0.30438%0.381SS..Hα-helixtrans-60.2-44173.7-71.7178.75.200110.5L24 D25 V31 R32 L67L24-Q28 HydrophobicContact CD1-CG 4.26Å; L24-Q28 HydrophobicContact CG-CG 4.41Å; L24-Q28 WeakPolarHBondContact O-CG 3.33Å; L24-Q28 PolarHBondContact O-N 3.47Å; D25-Q28 PolarHBondContact O-N 2.86Å; Q28-V31 PolarHBondContact O-N 3.01Å; Q28-R32 WeakPolarHBondContact O-CB 3.47Å; Q28-R32 WeakPolarHBondContact O-CG 3.5Å; Q28-R32 PolarHBondContact O-N 2.69Å; Q28-L67 HydrophobicContact CG-CD1 3.91Å
29Q97.4Very high95.5Very high60 Ų6069.9 Ų69.928%0.2838%0.383SS..Hα-helixtrans-64.9-39.7178.7-167.767.1-2.600111.8D25 T26 R27 V31 R32 L33 L47D25-Q29 WeakPolarHBondContact O-CB 3.4Å; D25-Q29 PolarHBondContact O-N 2.95Å; T26-Q29 PolarHBondContact O-N 3.04Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; Q29-V31 VanDerWaalsContact C-N 3.3Å; Q29-V31 PolarHBondContact O-N 3.46Å; Q29-R32 PolarHBondContact O-N 2.71Å; Q29-L33 HydrophobicContact CG-CD1 4.04Å; Q29-L33 HydrophobicContact CG-CG 4.27Å; Q29-L33 WeakPolarHBondContact O-CB 3.39Å; Q29-L33 VanDerWaalsContact O-CG 3.23Å; Q29-L33 WeakPolarHBondContact O-CG 3.49Å; Q29-L33 PolarHBondContact O-N 3.33Å; Q29-L47 HydrophobicContact CB-CD1 4.18Å; Q29-L47 HydrophobicContact CB-CD2 4.49Å; Q29-L47 HydrophobicContact CG-CD1 4.01Å; Q29-L47 HydrophobicContact CG-CD2 3.68Å
30I97.8Very high96Very high0 Ų069.3 Ų69.30%037%0.366CS..Hα-helixtrans-54.3-47.1171.6-75.3164.8000111.2L22 T26 R27 A34 I43 L47 V49 V54 I57 L58L22-I30 HydrophobicContact CD2-CD1 3.69Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.42Å; T26-I30 PolarHBondContact O-N 3.16Å; R27-I30 WeakPolarHBondContact O-CB 3.43Å; R27-I30 PolarHBondContact O-N 2.94Å; I30-A34 WeakPolarHBondContact O-CB 3.49Å; I30-A34 PolarHBondContact O-N 3.01Å; I30-I43 HydrophobicContact CB-CG2 4.37Å; I30-I43 HydrophobicContact CG1-CG2 4.06Å; I30-I43 HydrophobicContact CG2-CG2 4.41Å; I30-L47 HydrophobicContact CB-CD1 4.38Å; I30-L47 HydrophobicContact CG1-CD1 3.51Å; I30-V49 HydrophobicContact CD1-CG1 4.27Å; I30-V54 HydrophobicContact CD1-CG2 4.23Å; I30-V54 HydrophobicContact CG1-CG2 4.43Å; I30-V54 HydrophobicContact CG2-CG1 4.02Å; I30-I57 HydrophobicContact CD1-CD1 3.6Å; I30-I57 HydrophobicContact CG2-CB 4.41Å; I30-I57 HydrophobicContact CG2-CG2 4.01Å; I30-L58 HydrophobicContact CG2-CD1 4.43Å; I30-L58 HydrophobicContact CG2-CD2 3.73Å; I30-L58 HydrophobicContact CG2-CG 3.82Å
31V97.3Very high96.3Very high10 Ų1061.9 Ų61.96%0.06134%0.343CS..Hα-helixtrans-69.6-46.1179.2165.50000111.8R27 Q28 Q29 L33 A34 V35 L58 Y61 L67R27-V31 PolarHBondContact O-N 3.31Å; R27-V31 VanDerWaalsContact O-N 3.15Å; Q28-V31 PolarHBondContact O-N 3.01Å; Q29-V31 VanDerWaalsContact C-N 3.3Å; Q29-V31 PolarHBondContact O-N 3.46Å; V31-L33 VanDerWaalsContact C-N 3.34Å; V31-L33 PolarHBondContact O-N 3.49Å; V31-A34 PolarHBondContact O-N 3.48Å; V31-A34 VanDerWaalsContact O-N 3.17Å; V31-V35 HydrophobicContact CG1-CG2 4.3Å; V31-V35 WeakPolarHBondContact O-CG2 3.44Å; V31-V35 PolarHBondContact O-N 3.34Å; V31-L58 HydrophobicContact CG2-CD2 4.03Å; V31-Y61 HydrophobicContact CB-CD1 4.46Å; V31-Y61 HydrophobicContact CB-CE1 4.48Å; V31-Y61 HydrophobicContact CG1-CD1 3.81Å; V31-Y61 HydrophobicContact CG1-CD2 4.33Å; V31-Y61 HydrophobicContact CG1-CE1 3.4Å; V31-Y61 HydrophobicContact CG1-CE2 3.97Å; V31-Y61 HydrophobicContact CG1-CG 4.26Å; V31-Y61 VanDerWaalsContact CG1-CZ 3.49Å; V31-Y61 HydrophobicContact CG2-CD1 3.76Å; V31-Y61 HydrophobicContact CG2-CD2 3.95Å; V31-Y61 HydrophobicContact CG2-CE1 4.23Å; V31-Y61 HydrophobicContact CG2-CE2 4.39Å; V31-Y61 HydrophobicContact CG2-CG 3.6Å; V31-L67 HydrophobicContact CB-CD2 4.3Å; V31-L67 HydrophobicContact CG2-CD2 3.66Å
32R97.8Very high96.5Very high124 Ų12462 Ų6247%0.46834%0.341SS..Hα-helixtrans-52.9-51.8177.5-76.9-179.5-114.6165.5-13.4111.1Q28 Q29 A34 V35 S36Q28-R32 WeakPolarHBondContact O-CB 3.47Å; Q28-R32 WeakPolarHBondContact O-CG 3.5Å; Q28-R32 PolarHBondContact O-N 2.69Å; Q29-R32 PolarHBondContact O-N 2.71Å; R32-A34 VanDerWaalsContact C-N 3.33Å; R32-A34 PolarHBondContact O-N 3.03Å; R32-V35 PolarHBondContact O-N 3.36Å; R32-S36 PolarHBondContact O-N 3.47Å; R32-S36 PolarHBondContact O-OG 3.47Å; R32-S36 VanDerWaalsContact O-OG 3.11Å
33L97.9Very high96.7Very high29 Ų2960.5 Ų60.515%0.15233%0.333CS..Hα-helixtrans-66.1-32.9-178.7-62.7177.5000112.9Q29 V31 S36 G37 M38 I43 L47Q29-L33 HydrophobicContact CG-CD1 4.04Å; Q29-L33 HydrophobicContact CG-CG 4.27Å; Q29-L33 WeakPolarHBondContact O-CB 3.39Å; Q29-L33 VanDerWaalsContact O-CG 3.23Å; Q29-L33 WeakPolarHBondContact O-CG 3.49Å; Q29-L33 PolarHBondContact O-N 3.33Å; V31-L33 VanDerWaalsContact C-N 3.34Å; V31-L33 PolarHBondContact O-N 3.49Å; L33-S36 PolarHBondContact O-N 2.95Å; L33-G37 PolarHBondContact O-N 3.27Å; L33-M38 HydrophobicContact CB-CE 3.68Å; L33-M38 HydrophobicContact CD1-CE 3.71Å; L33-M38 HydrophobicContact CD2-CE 3.7Å; L33-M38 HydrophobicContact CG-CE 3.86Å; L33-M38 WeakPolarHBondContact O-CB 3.44Å; L33-M38 PolarHBondContact O-N 3.08Å; L33-I43 HydrophobicContact CB-CD1 4.07Å; L33-I43 HydrophobicContact CB-CG1 3.89Å; L33-I43 HydrophobicContact CD1-CG2 4.49Å; L33-L47 HydrophobicContact CD1-CD1 4Å; L33-L47 HydrophobicContact CD1-CD2 4.01Å; L33-L47 HydrophobicContact CD1-CG 4.02Å
34A97.4Very high96.9Very high14 Ų1457.2 Ų57.212%0.11631%0.312CS..Hα-helixtrans-70.7-37.4174.300000112.4I30 V31 R32 S36 G37 I43 L58I30-A34 WeakPolarHBondContact O-CB 3.49Å; I30-A34 PolarHBondContact O-N 3.01Å; V31-A34 PolarHBondContact O-N 3.48Å; V31-A34 VanDerWaalsContact O-N 3.17Å; R32-A34 VanDerWaalsContact C-N 3.33Å; R32-A34 PolarHBondContact O-N 3.03Å; A34-S36 VanDerWaalsContact C-N 3.31Å; A34-G37 PolarHBondContact O-N 3.38Å; A34-I43 HydrophobicContact CB-CD1 3.73Å; A34-L58 HydrophobicContact CB-CD1 3.93Å; A34-L58 HydrophobicContact CB-CD2 3.53Å; A34-L58 HydrophobicContact CB-CG 4.41Å
35V96.6Very high97Very high105 Ų10561 Ų6164%0.63632%0.321SS*.Hα-helixtrans-67.4-33.5172.9173.30000111.1V31 R32 G37V31-V35 HydrophobicContact CG1-CG2 4.3Å; V31-V35 WeakPolarHBondContact O-CG2 3.44Å; V31-V35 PolarHBondContact O-N 3.34Å; R32-V35 PolarHBondContact O-N 3.36Å; V35-G37 PolarHBondContact O-N 3.46Å; V35-G37 VanDerWaalsContact O-N 3.12Å
36S97.2Very high97.1Very high95 Ų9559.5 Ų59.566%0.66432%0.319SS*.THydrogen-bonded Turntrans-70.47.6168.1-540000114.5R32 L33 A34R32-S36 PolarHBondContact O-N 3.47Å; R32-S36 PolarHBondContact O-OG 3.47Å; R32-S36 VanDerWaalsContact O-OG 3.11Å; L33-S36 PolarHBondContact O-N 2.95Å; A34-S36 VanDerWaalsContact C-N 3.31Å
37G96Very high97.2Very high65 Ų6559.6 Ų59.667%0.6732%0.319SS*.THydrogen-bonded Turntrans83.64174.300000115.9L33 A34 V35L33-G37 PolarHBondContact O-N 3.27Å; A34-G37 PolarHBondContact O-N 3.38Å; V35-G37 PolarHBondContact O-N 3.46Å; V35-G37 VanDerWaalsContact O-N 3.12Å
38M97.8Very high97.2Very high73 Ų7363.5 Ų63.536%0.3634%0.336SS..  trans-71.3143.4176.6-71.7-148-63.900112.4L33 I43L33-M38 HydrophobicContact CB-CE 3.68Å; L33-M38 HydrophobicContact CD1-CE 3.71Å; L33-M38 HydrophobicContact CD2-CE 3.7Å; L33-M38 HydrophobicContact CG-CE 3.86Å; L33-M38 WeakPolarHBondContact O-CB 3.44Å; L33-M38 PolarHBondContact O-N 3.08Å; M38-I43 HydrophobicContact CB-CD1 4.21Å; M38-I43 HydrophobicContact CB-CG1 3.86Å; M38-I43 HydrophobicContact CE-CG1 4.28Å; M38-I43 WeakPolarHBondContact O-CD1 3.43Å
39R96.8Very high97.1Very high172 Ų17260.9 Ų60.965%0.64933%0.325SS*.  trans-73147.5-179.5-51171.567.9-171.72.2110.1C41 D42 I43R39-C41 PolarHBondContact O-N 3.39Å; R39-D42 WeakPolarHBondContact CB-OD2 3.4Å; R39-D42 PolarHBondContact O-N 2.94Å; R39-I43 WeakPolarHBondContact O-CG1 3.48Å; R39-I43 PolarHBondContact O-N 3.02Å
40P96.6Very high97.1Very high55 Ų5561.1 Ų61.136%0.35733%0.333SS..Hα-helixtrans-54.9-28.9179.2-29.436.2000115.2S44 V54 L58P40-S44 WeakPolarHBondContact O-CB 3.49Å; P40-S44 PolarHBondContact O-N 3.18Å; P40-V54 HydrophobicContact CB-CG1 4.12Å; P40-L58 HydrophobicContact CB-CD1 4.44Å; P40-L58 HydrophobicContact CG-CD1 4.12Å
41C96.9Very high97.1Very high32 Ų3264.6 Ų64.622%0.21635%0.351CS..Hα-helixtrans-73-34175.553.60000113.8R39 R45 N51R39-C41 PolarHBondContact O-N 3.39Å; C41-R45 PolarHBondContact O-N 3.15Å; C41-R45 PolarHBondContact O-NE 3.29Å; C41-N51 WeakPolarHBondContact CA-ND2 3.4Å
42D97.2Very high97Very high55 Ų5566.5 Ų66.529%0.29437%0.373SS..Hα-helixtrans-74.6-41.4176.1-59.4-48.3000110.7R39 S44 R45 S46R39-D42 WeakPolarHBondContact CB-OD2 3.4Å; R39-D42 PolarHBondContact O-N 2.94Å; D42-S44 VanDerWaalsContact C-N 3.31Å; D42-S44 PolarHBondContact O-N 3.49Å; D42-R45 PolarHBondContact O-N 3.41Å; D42-R45 IonicContact OD1-CZ 3.62Å; D42-R45 IonicContact OD1-NE 3.77Å; D42-R45 IonicContact OD1-NH2 2.68Å; D42-R45 PolarHBondContact OD1-NH2 3.4Å; D42-S46 VanDerWaalsContact O-CB 3.26Å; D42-S46 WeakPolarHBondContact O-CB 3.47Å; D42-S46 PolarHBondContact O-N 3.28Å
43I97.7Very high96.9Very high0 Ų062.4 Ų62.40%036%0.363CS..Hα-helixtrans-58.4-43.6171.4-61.5170.5000110.8I30 L33 A34 M38 R39 S46 L47 V54I30-I43 HydrophobicContact CB-CG2 4.37Å; I30-I43 HydrophobicContact CG1-CG2 4.06Å; I30-I43 HydrophobicContact CG2-CG2 4.41Å; L33-I43 HydrophobicContact CB-CD1 4.07Å; L33-I43 HydrophobicContact CB-CG1 3.89Å; L33-I43 HydrophobicContact CD1-CG2 4.49Å; A34-I43 HydrophobicContact CB-CD1 3.73Å; M38-I43 HydrophobicContact CB-CD1 4.21Å; M38-I43 HydrophobicContact CB-CG1 3.86Å; M38-I43 HydrophobicContact CE-CG1 4.28Å; M38-I43 WeakPolarHBondContact O-CD1 3.43Å; R39-I43 WeakPolarHBondContact O-CG1 3.48Å; R39-I43 PolarHBondContact O-N 3.02Å; I43-S46 PolarHBondContact O-N 2.96Å; I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CG 4.42Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 PolarHBondContact O-N 2.84Å; I43-V54 HydrophobicContact CB-CG1 4.32Å; I43-V54 HydrophobicContact CG2-CG1 4.01Å; I43-V54 HydrophobicContact CG2-CG2 4.42Å
44S97.8Very high96.9Very high7 Ų761 Ų615%0.04936%0.356CS..Hα-helixtrans-59.3-46.1177.7175.60000112.3P40 D42 K48 V49 N51P40-S44 WeakPolarHBondContact O-CB 3.49Å; P40-S44 PolarHBondContact O-N 3.18Å; D42-S44 VanDerWaalsContact C-N 3.31Å; D42-S44 PolarHBondContact O-N 3.49Å; S44-K48 WeakPolarHBondContact O-CA 3.4Å; S44-K48 PolarHBondContact O-N 2.95Å; S44-K48 VanDerWaalsContact O-N 3.12Å; S44-V49 CarbonylContact C-O 3.6Å; S44-V49 WeakPolarHBondContact CA-O 3.12Å; S44-V49 WeakPolarHBondContact CB-O 3.4Å; S44-V49 PolarHBondContact O-N 3.24Å; S44-V49 PolarHBondContact OG-O 2.88Å; S44-N51 WeakPolarHBondContact OG-CA 3.31Å; S44-N51 PolarHBondContact OG-N 3.4Å
45R96.9Very high96.9Very high144 Ų14463 Ų6354%0.54337%0.369SS..Hα-helixtrans-67.1-49.7175.6-74.7-179.4-77.2-101.53.9112.2C41 D42 L47 K48C41-R45 PolarHBondContact O-N 3.15Å; C41-R45 PolarHBondContact O-NE 3.29Å; D42-R45 PolarHBondContact O-N 3.41Å; D42-R45 IonicContact OD1-CZ 3.62Å; D42-R45 IonicContact OD1-NE 3.77Å; D42-R45 IonicContact OD1-NH2 2.68Å; D42-R45 PolarHBondContact OD1-NH2 3.4Å; R45-L47 PolarHBondContact O-N 3.17Å; R45-K48 PolarHBondContact O-N 2.74Å
46S96.9Very high96.9Very high79 Ų7966 Ų6655%0.55237%0.373SS*.Hα-helixtrans-58.9-46.1-177.1175.30000112.4D42 I43D42-S46 VanDerWaalsContact O-CB 3.26Å; D42-S46 WeakPolarHBondContact O-CB 3.47Å; D42-S46 PolarHBondContact O-N 3.28Å; I43-S46 PolarHBondContact O-N 2.96Å
47L96.7Very high96.8Very high42 Ų4262.3 Ų62.322%0.2235%0.346CS..THydrogen-bonded Turntrans-90.10.1-179.1-57.7-177.6000113.7Q29 I30 L33 I43 R45 V49Q29-L47 HydrophobicContact CB-CD1 4.18Å; Q29-L47 HydrophobicContact CB-CD2 4.49Å; Q29-L47 HydrophobicContact CG-CD1 4.01Å; Q29-L47 HydrophobicContact CG-CD2 3.68Å; I30-L47 HydrophobicContact CB-CD1 4.38Å; I30-L47 HydrophobicContact CG1-CD1 3.51Å; L33-L47 HydrophobicContact CD1-CD1 4Å; L33-L47 HydrophobicContact CD1-CD2 4.01Å; L33-L47 HydrophobicContact CD1-CG 4.02Å; I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CG 4.42Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 PolarHBondContact O-N 2.84Å; R45-L47 PolarHBondContact O-N 3.17Å; L47-V49 HydrophobicContact CB-CG2 4.14Å; L47-V49 PolarHBondContact O-N 2.88Å
48K97Very high96.9Very high108 Ų10859.6 Ų59.647%0.4732%0.316SS..THydrogen-bonded Turntrans53.134.3-174.8-52.8-178.6175.9-176.40113.3N10 L12 G14 S44 R45N10-K48 PolarHBondContact ND2-O 2.73Å; N10-K48 PolarHBondContact OD1-O 3.17Å; L12-K48 HydrophobicContact CB-CB 4.17Å; L12-K48 WeakPolarHBondContact O-CB 3.28Å; L12-K48 WeakPolarHBondContact O-CD 3.44Å; L12-K48 VanDerWaalsContact O-CG 3.3Å; L12-K48 WeakPolarHBondContact O-CG 3.47Å; G14-K48 WeakPolarHBondContact CA-O 3.18Å; S44-K48 WeakPolarHBondContact O-CA 3.4Å; S44-K48 PolarHBondContact O-N 2.95Å; S44-K48 VanDerWaalsContact O-N 3.12Å; R45-K48 PolarHBondContact O-N 2.74Å
49V96.4Very high96.8Very high10 Ų1057.5 Ų57.56%0.06131%0.313CS..  trans-106.4137.4179.2175.20000109.2L12 L22 T26 I30 S44 L47 N51 C53 V54L12-V49 WeakPolarHBondContact CD1-O 3.33Å; L22-V49 HydrophobicContact CD1-CG2 4.16Å; L22-V49 HydrophobicContact CD2-CG1 4.1Å; L22-V49 HydrophobicContact CD2-CG2 4.05Å; T26-V49 HydrophobicContact CG2-CG2 3.89Å; I30-V49 HydrophobicContact CD1-CG1 4.27Å; S44-V49 CarbonylContact C-O 3.6Å; S44-V49 WeakPolarHBondContact CA-O 3.12Å; S44-V49 WeakPolarHBondContact CB-O 3.4Å; S44-V49 PolarHBondContact O-N 3.24Å; S44-V49 PolarHBondContact OG-O 2.88Å; L47-V49 HydrophobicContact CB-CG2 4.14Å; L47-V49 PolarHBondContact O-N 2.88Å; V49-N51 PolarHBondContact O-N 3.47Å; V49-C53 HydrophobicContact CG1-CB 3.74Å; V49-V54 HydrophobicContact CB-CG2 4.12Å; V49-V54 HydrophobicContact CG1-CG2 3.9Å
50S96.8Very high96.7Very high64 Ų6452.1 Ų52.145%0.44829%0.293SS..  trans-58.7140.2-179.466.80000112.4G52 C53 V54S50-G52 VanDerWaalsContact C-N 3.28Å; S50-G52 PolarHBondContact O-N 3.49Å; S50-C53 WeakPolarHBondContact O-CA 3.43Å; S50-C53 VanDerWaalsContact O-CB 3.29Å; S50-C53 WeakPolarHBondContact O-CB 3.47Å; S50-C53 PolarHBondContact O-N 2.95Å; S50-C53 WeakPolarHBondContact OG-CB 3.5Å; S50-V54 PolarHBondContact O-N 3.4Å; S50-V54 VanDerWaalsContact O-N 3.11Å
51N96.6Very high96.7Very high73 Ų7352.9 Ų52.939%0.3929%0.289SS..Hα-helixtrans-59.1-37.9-172.1-164.7-61.3000112.8C41 S44 V49 C53 V54 S55C41-N51 WeakPolarHBondContact CA-ND2 3.4Å; S44-N51 WeakPolarHBondContact OG-CA 3.31Å; S44-N51 PolarHBondContact OG-N 3.4Å; V49-N51 PolarHBondContact O-N 3.47Å; N51-C53 VanDerWaalsContact C-N 3.29Å; N51-C53 PolarHBondContact O-N 3.29Å; N51-V54 PolarHBondContact O-N 2.95Å; N51-S55 WeakPolarHBondContact O-CB 3.34Å; N51-S55 PolarHBondContact O-N 3.04Å; N51-S55 PolarHBondContact O-OG 2.75Å; N51-S55 PolarHBondContact OD1-OG 3.36Å
52G96.3Very high96.6Very high50 Ų5058.2 Ų58.252%0.51531%0.306SS..Hα-helixtrans-65.7-26.6173.400000114.2S50 K56S50-G52 VanDerWaalsContact C-N 3.28Å; S50-G52 PolarHBondContact O-N 3.49Å; G52-K56 WeakPolarHBondContact O-CB 3.44Å; G52-K56 PolarHBondContact O-N 2.79Å; G52-K56 VanDerWaalsContact O-N 3.15Å
53C95.6Very high96.5Very high39 Ų3965.4 Ų65.426%0.26433%0.329SS..Hα-helixtrans-74.8-47.3172.9-1730000110.9V49 S50 N51 S55 K56 I57V49-C53 HydrophobicContact CG1-CB 3.74Å; S50-C53 WeakPolarHBondContact O-CA 3.43Å; S50-C53 VanDerWaalsContact O-CB 3.29Å; S50-C53 WeakPolarHBondContact O-CB 3.47Å; S50-C53 PolarHBondContact O-N 2.95Å; S50-C53 WeakPolarHBondContact OG-CB 3.5Å; N51-C53 VanDerWaalsContact C-N 3.29Å; N51-C53 PolarHBondContact O-N 3.29Å; C53-S55 VanDerWaalsContact C-N 3.35Å; C53-S55 PolarHBondContact O-N 3Å; C53-K56 PolarHBondContact O-N 2.71Å; C53-I57 WeakPolarHBondContact O-CG1 3.31Å; C53-I57 PolarHBondContact O-N 3.08Å
54V97.4Very high96.4Very high0 Ų069.1 Ų69.10%035%0.352CS..Hα-helixtrans-54-51.4173.8176.90000110.6I30 P40 I43 V49 S50 N51 K56 I57 L58I30-V54 HydrophobicContact CD1-CG2 4.23Å; I30-V54 HydrophobicContact CG1-CG2 4.43Å; I30-V54 HydrophobicContact CG2-CG1 4.02Å; P40-V54 HydrophobicContact CB-CG1 4.12Å; I43-V54 HydrophobicContact CB-CG1 4.32Å; I43-V54 HydrophobicContact CG2-CG1 4.01Å; I43-V54 HydrophobicContact CG2-CG2 4.42Å; V49-V54 HydrophobicContact CB-CG2 4.12Å; V49-V54 HydrophobicContact CG1-CG2 3.9Å; S50-V54 PolarHBondContact O-N 3.4Å; S50-V54 VanDerWaalsContact O-N 3.11Å; N51-V54 PolarHBondContact O-N 2.95Å; V54-K56 VanDerWaalsContact C-N 3.32Å; V54-K56 PolarHBondContact O-N 3.02Å; V54-I57 PolarHBondContact O-N 3.45Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 WeakPolarHBondContact O-CG 3.49Å; V54-L58 PolarHBondContact O-N 2.85Å
55S97.4Very high96.1Very high56 Ų5671.1 Ų71.139%0.39237%0.373SS..Hα-helixtrans-60.6-38.4179.1-610000112.9N51 C53 G59N51-S55 WeakPolarHBondContact O-CB 3.34Å; N51-S55 PolarHBondContact O-N 3.04Å; N51-S55 PolarHBondContact O-OG 2.75Å; N51-S55 PolarHBondContact OD1-OG 3.36Å; C53-S55 VanDerWaalsContact C-N 3.35Å; C53-S55 PolarHBondContact O-N 3Å; S55-G59 WeakPolarHBondContact O-CA 3.35Å; S55-G59 PolarHBondContact O-N 2.93Å
56K96.6Very high95.8Very high167 Ų16767.5 Ų67.573%0.72637%0.367SS*.Hα-helixtrans-71.6-32.4178.1-172.7176.2-64.7176.40112.9G52 C53 V54 R60G52-K56 WeakPolarHBondContact O-CB 3.44Å; G52-K56 PolarHBondContact O-N 2.79Å; G52-K56 VanDerWaalsContact O-N 3.15Å; C53-K56 PolarHBondContact O-N 2.71Å; V54-K56 VanDerWaalsContact C-N 3.32Å; V54-K56 PolarHBondContact O-N 3.02Å; K56-R60 WeakPolarHBondContact O-CB 3.5Å; K56-R60 PolarHBondContact O-N 3.15Å
57I96.4Very high95.6Very high17 Ų1765.7 Ų65.79%0.08735%0.351CS..Hα-helixtrans-72-55.8174.8-69.9162.8000109.8L22 R27 I30 C53 V54 G59 R60 Y61L22-I57 HydrophobicContact CD2-CD1 3.77Å; R27-I57 HydrophobicContact CG-CD1 4.07Å; I30-I57 HydrophobicContact CD1-CD1 3.6Å; I30-I57 HydrophobicContact CG2-CB 4.41Å; I30-I57 HydrophobicContact CG2-CG2 4.01Å; C53-I57 WeakPolarHBondContact O-CG1 3.31Å; C53-I57 PolarHBondContact O-N 3.08Å; V54-I57 PolarHBondContact O-N 3.45Å; I57-G59 PolarHBondContact O-N 2.87Å; I57-R60 PolarHBondContact O-N 3.4Å; I57-R60 VanDerWaalsContact O-N 3.1Å; I57-Y61 WeakPolarHBondContact O-CB 3.44Å; I57-Y61 PolarHBondContact O-N 2.92Å
58L96.8Very high95.2Very high8 Ų868.1 Ų68.14%0.04236%0.361CS..Hα-helixtrans-59.3-48179.5-66.6177.9000111.8I30 V31 A34 P40 V54 R60 Y61 Y62I30-L58 HydrophobicContact CG2-CD1 4.43Å; I30-L58 HydrophobicContact CG2-CD2 3.73Å; I30-L58 HydrophobicContact CG2-CG 3.82Å; V31-L58 HydrophobicContact CG2-CD2 4.03Å; A34-L58 HydrophobicContact CB-CD1 3.93Å; A34-L58 HydrophobicContact CB-CD2 3.53Å; A34-L58 HydrophobicContact CB-CG 4.41Å; P40-L58 HydrophobicContact CB-CD1 4.44Å; P40-L58 HydrophobicContact CG-CD1 4.12Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 WeakPolarHBondContact O-CG 3.49Å; V54-L58 PolarHBondContact O-N 2.85Å; L58-R60 PolarHBondContact O-N 3.32Å; L58-R60 VanDerWaalsContact O-N 3.13Å; L58-Y61 PolarHBondContact O-N 3.24Å; L58-Y61 VanDerWaalsContact O-N 3.09Å; L58-Y62 HydrophobicContact CB-CD2 4.36Å; L58-Y62 HydrophobicContact CB-CE2 3.95Å; L58-Y62 VanDerWaalsContact O-CD2 3.24Å; L58-Y62 WeakPolarHBondContact O-CD2 3.37Å; L58-Y62 PolarHBondContact O-N 3.27Å
59G96Very high94.8Very high29 Ų2965 Ų6530%0.29935%0.352SS..Hα-helixtrans-66.1-12.5178.300000114.6S55 I57 R63S55-G59 WeakPolarHBondContact O-CA 3.35Å; S55-G59 PolarHBondContact O-N 2.93Å; I57-G59 PolarHBondContact O-N 2.87Å; G59-R63 VanDerWaalsContact O-CZ 3.26Å; G59-R63 PolarHBondContact O-NE 3.07Å; G59-R63 PolarHBondContact O-NH2 2.9Å
60R95.3Very high94.2Very high60 Ų6072.1 Ų72.123%0.22638%0.382CS..Hα-helixtrans-91.5-45.6165.5178.7175.7171.6-151.6-8.3111.1K56 I57 L58 Y62 R63 T64 E68K56-R60 WeakPolarHBondContact O-CB 3.5Å; K56-R60 PolarHBondContact O-N 3.15Å; I57-R60 PolarHBondContact O-N 3.4Å; I57-R60 VanDerWaalsContact O-N 3.1Å; L58-R60 PolarHBondContact O-N 3.32Å; L58-R60 VanDerWaalsContact O-N 3.13Å; R60-Y62 VanDerWaalsContact C-N 3.34Å; R60-Y62 PolarHBondContact O-N 2.87Å; R60-R63 PolarHBondContact O-N 3.22Å; R60-T64 WeakPolarHBondContact CG-OG1 3.45Å; R60-T64 PolarHBondContact O-N 2.9Å; R60-T64 PolarHBondContact O-OG1 3.28Å; R60-T64 VanDerWaalsContact O-OG1 3.12Å; R60-E68 PolarHBondContact NH1-O 3.01Å; R60-E68 PolarHBondContact NH2-O 3.02Å
61Y95.8Very high93.2Very high70 Ų7072.8 Ų72.828%0.27540%0.399SS..Hα-helixtrans-53.5-49.5179.6178.4-103.5000111.6V31 I57 L58 R63 T64 G65 L67V31-Y61 HydrophobicContact CB-CD1 4.46Å; V31-Y61 HydrophobicContact CB-CE1 4.48Å; V31-Y61 HydrophobicContact CG1-CD1 3.81Å; V31-Y61 HydrophobicContact CG1-CD2 4.33Å; V31-Y61 HydrophobicContact CG1-CE1 3.4Å; V31-Y61 HydrophobicContact CG1-CE2 3.97Å; V31-Y61 HydrophobicContact CG1-CG 4.26Å; V31-Y61 VanDerWaalsContact CG1-CZ 3.49Å; V31-Y61 HydrophobicContact CG2-CD1 3.76Å; V31-Y61 HydrophobicContact CG2-CD2 3.95Å; V31-Y61 HydrophobicContact CG2-CE1 4.23Å; V31-Y61 HydrophobicContact CG2-CE2 4.39Å; V31-Y61 HydrophobicContact CG2-CG 3.6Å; I57-Y61 WeakPolarHBondContact O-CB 3.44Å; I57-Y61 PolarHBondContact O-N 2.92Å; L58-Y61 PolarHBondContact O-N 3.24Å; L58-Y61 VanDerWaalsContact O-N 3.09Å; Y61-R63 PolarHBondContact O-N 2.77Å; Y61-R63 VanDerWaalsContact O-N 3.13Å; Y61-T64 PolarHBondContact O-N 3.05Å; Y61-G65 VanDerWaalsContact CD2-O 3.25Å; Y61-G65 WeakPolarHBondContact CD2-O 3.44Å; Y61-G65 WeakPolarHBondContact CE2-O 3.49Å; Y61-G65 WeakPolarHBondContact O-CA 3.36Å; Y61-G65 PolarHBondContact O-N 2.98Å; Y61-L67 HydrophobicContact CD2-CD2 4.4Å; Y61-L67 HydrophobicContact CD2-CG 4.08Å; Y61-L67 HydrophobicContact CE2-CG 4.34Å
62Y95.3Very high92Very high144 Ų14474.9 Ų74.957%0.56541%0.409SS*.Hα-helixtrans-65.8-15.3177.9-60.6-46.3000115L58 R60L58-Y62 HydrophobicContact CB-CD2 4.36Å; L58-Y62 HydrophobicContact CB-CE2 3.95Å; L58-Y62 VanDerWaalsContact O-CD2 3.24Å; L58-Y62 WeakPolarHBondContact O-CD2 3.37Å; L58-Y62 PolarHBondContact O-N 3.27Å; R60-Y62 VanDerWaalsContact C-N 3.34Å; R60-Y62 PolarHBondContact O-N 2.87Å
63R95.7Very high90.5Very high206 Ų20675.9 Ų75.978%0.77742%0.419SS*.Hα-helixtrans-98.3-27.5175.6-81.6-176-69.1165.9-5.8114.2G59 R60 Y61G59-R63 VanDerWaalsContact O-CZ 3.26Å; G59-R63 PolarHBondContact O-NE 3.07Å; G59-R63 PolarHBondContact O-NH2 2.9Å; R60-R63 PolarHBondContact O-N 3.22Å; Y61-R63 PolarHBondContact O-N 2.77Å; Y61-R63 VanDerWaalsContact O-N 3.13Å
64T93.8Very high89.3Confident79 Ų7978 Ų7849%0.48545%0.448SS..Hα-helixtrans-129.9-8.2-170.663.80000115R60 Y61 V66R60-T64 WeakPolarHBondContact CG-OG1 3.45Å; R60-T64 PolarHBondContact O-N 2.9Å; R60-T64 PolarHBondContact O-OG1 3.28Å; R60-T64 VanDerWaalsContact O-OG1 3.12Å; Y61-T64 PolarHBondContact O-N 3.05Å; T64-V66 PolarHBondContact O-N 3.34Å
65G92.5Very high87.9Confident48 Ų4883.5 Ų83.550%0.49549%0.487SS..  trans66.7-24.2-170.900000115.3Y61Y61-G65 VanDerWaalsContact CD2-O 3.25Å; Y61-G65 WeakPolarHBondContact CD2-O 3.44Å; Y61-G65 WeakPolarHBondContact CE2-O 3.49Å; Y61-G65 WeakPolarHBondContact O-CA 3.36Å; Y61-G65 PolarHBondContact O-N 2.98Å
66V91.6Very high86.5Confident69 Ų6989.8 Ų89.842%0.41851%0.507SS..  trans-79.1122.4-174.3178.40000113T64 E68T64-V66 PolarHBondContact O-N 3.34Å; V66-E68 HydrophobicContact CG1-CB 3.84Å; V66-E68 HydrophobicContact CG1-CG 4.5Å
67L90.9Very high84.9Confident40 Ų4086.1 Ų86.121%0.20950%0.5CS..  trans-79.2-30.5172.4-82.2159.3000113.9L24 R27 Q28 V31 Y61L24-L67 HydrophobicContact CD1-CB 4.2Å; R27-L67 HydrophobicContact CB-CD2 3.92Å; R27-L67 PolarHBondContact NH1-O 3.12Å; R27-L67 WeakPolarHBondContact O-CD2 3.45Å; Q28-L67 HydrophobicContact CG-CD1 3.91Å; V31-L67 HydrophobicContact CB-CD2 4.3Å; V31-L67 HydrophobicContact CG2-CD2 3.66Å; Y61-L67 HydrophobicContact CD2-CD2 4.4Å; Y61-L67 HydrophobicContact CD2-CG 4.08Å; Y61-L67 HydrophobicContact CE2-CG 4.34Å
68E89.6Confident83.8Confident94 Ų9496.3 Ų96.344%0.43954%0.537SS..SBendtrans-58137.4-175.2-70.4-49.2115.400113L24 R60 V66L24-E68 WeakPolarHBondContact CD1-OE1 3.49Å; L24-E68 WeakPolarHBondContact CD2-OE1 3.32Å; R60-E68 PolarHBondContact NH1-O 3.01Å; R60-E68 PolarHBondContact NH2-O 3.02Å; V66-E68 HydrophobicContact CG1-CB 3.84Å; V66-E68 HydrophobicContact CG1-CG 4.5Å
69P88.4Confident82.7Confident42 Ų4299.3 Ų99.327%0.27355%0.553SS.*PPolyproline II helixtrans-55.8146.3172.124.6-32000111.2P21P21-P69 HydrophobicContact CB-CB 3.65Å; P21-P69 HydrophobicContact CB-CG 3.86Å; P21-P69 HydrophobicContact CG-CB 4.12Å; P21-P69 HydrophobicContact CG-CG 3.9Å
70K83.8Confident82Confident159 Ų15998.9 Ų98.969%0.69155%0.547SS*.PPolyproline II helixtrans-62.2145.2162.9-73.7-172173.4-174.20107.5I72K70-I72 PolarHBondContact O-N 2.96Å
71G76.6Confident81.6Confident79 Ų7998.5 Ų98.581%0.81455%0.551SS**PPolyproline II helixtrans-49.4123175.500000110.8
72I70.4Confident81.2Confident116 Ų116100.3 Ų100.360%0.59557%0.572SS**  trans-94.1112.4-178.5-65.7164.1000107.5P21 K70P21-I72 HydrophobicContact CB-CD1 3.99Å; P21-I72 HydrophobicContact CG-CD1 3.89Å; K70-I72 PolarHBondContact O-N 2.96Å
73G65.7Low80.9Confident71 Ų7197.3 Ų97.373%0.73257%0.569SS**  trans95.8-180-177.600000113.8
74G68.9Low80.6Confident84 Ų8487.7 Ų87.787%0.86653%0.534SS*.  trans102.1132.6-168.800000111.9
75S67.4Low80.5Confident116 Ų11685.7 Ų85.781%0.81152%0.521SS*.  trans-86140.7168.150.40000109.6
76K68.3Low80.4Confident187 Ų18786.1 Ų86.181%0.81352%0.52SS*.  trans-60.9135.1168-69.3-178.5178.6179.40108.5R78K76-R78 PolarHBondContact O-N 3.39Å
77P64.4Low80.4Confident90 Ų9085 Ų8558%0.58451%0.508SS*.  trans-58.8111176-21.932.3000110.2A80P77-A80 HydrophobicContact CB-CB 4.06Å
78R71.8Confident80.5Confident231 Ų23183.1 Ų83.187%0.87250%0.499SS*.SBendtrans-74.8-27.8-174.5-63.3-148.2-69.1-156.91113.6K76K76-R78 PolarHBondContact O-N 3.39Å
79L74.2Confident80.7Confident71 Ų7180.3 Ų80.337%0.37249%0.492SS..SBendtrans-117.1-26.5-175.7-53.6-177000113.4T81 K117L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 3.14Å; L79-T81 VanDerWaalsContact O-N 3.16Å; L79-K117 HydrophobicContact CD2-CB 4.4Å
80A82.3Confident80.9Confident20 Ų2082.9 Ų82.917%0.16550%0.5CS..  trans-88.665.8172.800000109.7P77 V85 V127P77-A80 HydrophobicContact CB-CB 4.06Å; A80-V85 HydrophobicContact CB-CG2 3.97Å; A80-V127 HydrophobicContact CB-CG2 3.97Å
81T86.7Confident81.2Confident53 Ų5375.6 Ų75.633%0.32547%0.469SS..  trans-68.9154.1174.5600000110.1L79 V84 V85L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 3.14Å; L79-T81 VanDerWaalsContact O-N 3.16Å; T81-V84 PolarHBondContact O-N 2.92Å; T81-V84 VanDerWaalsContact OG1-CG2 3.31Å; T81-V84 WeakPolarHBondContact OG1-CG2 3.39Å; T81-V85 WeakPolarHBondContact O-CG2 3.42Å; T81-V85 PolarHBondContact O-N 3.06Å
82P87.5Confident82Confident108 Ų10875.1 Ų75.170%0.70144%0.444SS*.Hα-helixtrans-48.5-45.6178.9-28.635.6000115.8V84 V85 A86P82-V84 PolarHBondContact O-N 3.48Å; P82-V85 PolarHBondContact O-N 2.76Å; P82-A86 WeakPolarHBondContact O-CB 3.37Å; P82-A86 PolarHBondContact O-N 3.07Å
83P87.6Confident82.8Confident80 Ų8072.4 Ų72.452%0.51945%0.445SS..Hα-helixtrans-65.7-36.3177.124.9-34.8000113.2A86 R87P83-A86 PolarHBondContact O-N 3.01Å; P83-R87 PolarHBondContact O-N 2.85Å
84V89.9Confident84Confident4 Ų473.9 Ų73.92%0.02443%0.433CS..Hα-helixtrans-67.1-41.2176172.50000110.6T81 P82 R87 I88 L107 P119T81-V84 PolarHBondContact O-N 2.92Å; T81-V84 VanDerWaalsContact OG1-CG2 3.31Å; T81-V84 WeakPolarHBondContact OG1-CG2 3.39Å; P82-V84 PolarHBondContact O-N 3.48Å; V84-R87 PolarHBondContact O-N 2.78Å; V84-I88 HydrophobicContact CG1-CD1 3.91Å; V84-I88 WeakPolarHBondContact O-CB 3.47Å; V84-I88 WeakPolarHBondContact O-CD1 3.45Å; V84-I88 WeakPolarHBondContact O-CG1 3.41Å; V84-I88 PolarHBondContact O-N 2.87Å; V84-L107 HydrophobicContact CG1-CD1 4.14Å; V84-L107 HydrophobicContact CG1-CD2 4.38Å; V84-P119 HydrophobicContact CG1-CG 4.01Å
85V91.8Very high84.7Confident37 Ų3773 Ų7322%0.22441%0.413CS..Hα-helixtrans-63.7-44.2174.9172.40000111.3A80 T81 P82 R87 I88 A89 V127 L131A80-V85 HydrophobicContact CB-CG2 3.97Å; T81-V85 WeakPolarHBondContact O-CG2 3.42Å; T81-V85 PolarHBondContact O-N 3.06Å; P82-V85 PolarHBondContact O-N 2.76Å; V85-R87 PolarHBondContact O-N 3.42Å; V85-I88 PolarHBondContact O-N 3.24Å; V85-A89 PolarHBondContact O-N 2.94Å; V85-V127 HydrophobicContact CB-CG1 4.33Å; V85-V127 HydrophobicContact CG1-CG1 3.9Å; V85-V127 HydrophobicContact CG2-CG1 4.04Å; V85-V127 HydrophobicContact CG2-CG2 4.31Å; V85-L131 HydrophobicContact CG1-CD1 4.4Å; V85-L131 HydrophobicContact CG1-CD2 4.03Å; V85-L131 HydrophobicContact CG1-CG 4.46Å
86A91.1Very high85.7Confident58 Ų5872.1 Ų72.148%0.47940%0.404SS..Hα-helixtrans-60.8-43.8176.200000112P82 P83 A89 Q90P82-A86 WeakPolarHBondContact O-CB 3.37Å; P82-A86 PolarHBondContact O-N 3.07Å; P83-A86 PolarHBondContact O-N 3.01Å; A86-A89 WeakPolarHBondContact O-CB 3.34Å; A86-A89 PolarHBondContact O-N 2.83Å; A86-Q90 WeakPolarHBondContact O-CB 3.3Å; A86-Q90 PolarHBondContact O-N 3.24Å
87R91.9Very high86.6Confident44 Ų4467.2 Ų67.217%0.16640%0.399CS..Hα-helixtrans-68.9-36.4177.1-16767.2178.81387.1112.8P83 V84 V85 A89 Q90 L91 E94 L107 E110 L112P83-R87 PolarHBondContact O-N 2.85Å; V84-R87 PolarHBondContact O-N 2.78Å; V85-R87 PolarHBondContact O-N 3.42Å; R87-A89 VanDerWaalsContact C-N 3.3Å; R87-A89 PolarHBondContact O-N 3.23Å; R87-Q90 PolarHBondContact O-N 2.67Å; R87-L91 HydrophobicContact CG-CD1 4.1Å; R87-L91 HydrophobicContact CG-CG 4.3Å; R87-L91 WeakPolarHBondContact O-CB 3.41Å; R87-L91 WeakPolarHBondContact O-CG 3.32Å; R87-L91 PolarHBondContact O-N 3.21Å; R87-E94 IonicContact NH1-OE1 3.32Å; R87-E94 IonicContact NH1-OE2 3.68Å; R87-L107 HydrophobicContact CB-CD2 3.98Å; R87-L107 HydrophobicContact CG-CD2 3.97Å; R87-E110 WeakPolarHBondContact CG-OE2 3.38Å; R87-E110 IonicContact CZ-OE1 3.58Å; R87-E110 IonicContact CZ-OE2 3.84Å; R87-E110 IonicContact NE-OE1 2.69Å; R87-E110 PolarHBondContact NE-OE1 3.05Å; R87-E110 IonicContact NE-OE2 3.91Å; R87-E110 PolarHBondContact NE-OE2 2.95Å; R87-E110 IonicContact NH2-OE1 2.95Å; R87-E110 PolarHBondContact NH2-OE1 2.97Å; R87-E110 IonicContact NH2-OE2 2.95Å; R87-L112 HydrophobicContact CB-CD1 3.85Å; R87-L112 HydrophobicContact CG-CD1 3.63Å
88I92.4Very high87.7Confident1 Ų165 Ų651%0.00538%0.382CS..Hα-helixtrans-58.2-44.1170.8-71.7164.3000110.7V84 V85 K92 I103 L107 I124 V127 L128 L131V84-I88 HydrophobicContact CG1-CD1 3.91Å; V84-I88 WeakPolarHBondContact O-CB 3.47Å; V84-I88 WeakPolarHBondContact O-CD1 3.45Å; V84-I88 WeakPolarHBondContact O-CG1 3.41Å; V84-I88 PolarHBondContact O-N 2.87Å; V85-I88 PolarHBondContact O-N 3.24Å; I88-K92 WeakPolarHBondContact O-CB 3.41Å; I88-K92 PolarHBondContact O-N 2.83Å; I88-I103 HydrophobicContact CB-CG2 4.39Å; I88-I103 HydrophobicContact CG1-CG2 3.85Å; I88-I103 HydrophobicContact CG2-CG2 4.41Å; I88-L107 HydrophobicContact CD1-CD1 4.12Å; I88-L107 HydrophobicContact CG1-CD1 3.79Å; I88-I124 HydrophobicContact CD1-CG1 4.17Å; I88-I124 HydrophobicContact CD1-CG2 4.43Å; I88-I124 HydrophobicContact CG2-CG2 4.24Å; I88-V127 HydrophobicContact CB-CG1 4.38Å; I88-V127 HydrophobicContact CD1-CB 4.44Å; I88-V127 HydrophobicContact CD1-CG1 4.12Å; I88-V127 HydrophobicContact CG2-CG1 3.96Å; I88-L128 HydrophobicContact CG2-CD2 3.57Å; I88-L128 HydrophobicContact CG2-CG 3.97Å; I88-L131 HydrophobicContact CG2-CD1 4.45Å
89A92.7Very high88.7Confident35 Ų3559.2 Ų59.229%0.28936%0.363SS..Hα-helixtrans-63.4-48.3176.800000111.5V85 A86 R87 K92 G93 L131V85-A89 PolarHBondContact O-N 2.94Å; A86-A89 WeakPolarHBondContact O-CB 3.34Å; A86-A89 PolarHBondContact O-N 2.83Å; R87-A89 VanDerWaalsContact C-N 3.3Å; R87-A89 PolarHBondContact O-N 3.23Å; A89-K92 PolarHBondContact O-N 3.21Å; A89-G93 PolarHBondContact O-N 2.86Å; A89-L131 HydrophobicContact CB-CD1 3.74Å; A89-L131 HydrophobicContact CB-CD2 4.39Å
90Q93.3Very high89.4Confident96 Ų9656.3 Ų56.345%0.44935%0.349SS..Hα-helixtrans-60.7-52.1-179-173-176.10.100112A86 R87 K92 G93 E94A86-Q90 WeakPolarHBondContact O-CB 3.3Å; A86-Q90 PolarHBondContact O-N 3.24Å; R87-Q90 PolarHBondContact O-N 2.67Å; Q90-K92 PolarHBondContact O-N 2.95Å; Q90-G93 WeakPolarHBondContact O-CA 3.23Å; Q90-G93 PolarHBondContact O-N 3.5Å; Q90-E94 HydrophobicContact CG-CG 4.36Å; Q90-E94 VanDerWaalsContact CG-OE1 3.25Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.28Å; Q90-E94 PolarHBondContact NE2-OE1 3.34Å; Q90-E94 WeakPolarHBondContact O-CG 3.47Å; Q90-E94 PolarHBondContact O-N 3.06Å
91L91.2Very high89.8Confident7 Ų758.9 Ų58.94%0.03735%0.354CS..Hα-helixtrans-57.1-38.4178-71.9170.8000111.7R87 C95 L98 I103 Q106R87-L91 HydrophobicContact CG-CD1 4.1Å; R87-L91 HydrophobicContact CG-CG 4.3Å; R87-L91 WeakPolarHBondContact O-CB 3.41Å; R87-L91 WeakPolarHBondContact O-CG 3.32Å; R87-L91 PolarHBondContact O-N 3.21Å; L91-C95 PolarHBondContact O-N 3.13Å; L91-L98 HydrophobicContact CB-CD1 4.27Å; L91-L98 WeakPolarHBondContact O-CD1 3.46Å; L91-I103 HydrophobicContact CD1-CG2 4.22Å; L91-Q106 HydrophobicContact CD1-CB 3.91Å; L91-Q106 HydrophobicContact CD1-CG 3.73Å; L91-Q106 HydrophobicContact CD2-CG 3.79Å; L91-Q106 HydrophobicContact CG-CG 4.43Å
92K91.5Very high90Very high68 Ų6858.9 Ų58.930%0.29635%0.351SS..Hα-helixtrans-72.8-29.8177.8-166.459.8164.3173.10113.2I88 A89 Q90 C95 P96 L98 I103 L128I88-K92 WeakPolarHBondContact O-CB 3.41Å; I88-K92 PolarHBondContact O-N 2.83Å; A89-K92 PolarHBondContact O-N 3.21Å; Q90-K92 PolarHBondContact O-N 2.95Å; K92-C95 CarbonylContact O-C 3.44Å; K92-P96 WeakPolarHBondContact CE-O 3.47Å; K92-P96 PolarHBondContact NZ-O 3.07Å; K92-P96 WeakPolarHBondContact O-CA 3.41Å; K92-L98 PolarHBondContact NZ-O 3.39Å; K92-I103 HydrophobicContact CD-CD1 4.34Å; K92-L128 HydrophobicContact CB-CD2 3.9Å; K92-L128 HydrophobicContact CD-CD2 4.41Å; K92-L128 HydrophobicContact CG-CD2 3.82Å
93G88.7Confident90.2Very high59 Ų5953.7 Ų53.761%0.60832%0.317SS*.Hα-helixtrans-72.6-45173.200000112.7A89 Q90A89-G93 PolarHBondContact O-N 2.86Å; Q90-G93 WeakPolarHBondContact O-CA 3.23Å; Q90-G93 PolarHBondContact O-N 3.5Å
94E89.8Confident90.3Very high103 Ų10352.5 Ų52.548%0.48130%0.304SS..Hα-helixtrans-61.6-42.8175.6-71.8168.2-177.700111.7R87 Q90R87-E94 IonicContact NH1-OE1 3.32Å; R87-E94 IonicContact NH1-OE2 3.68Å; Q90-E94 HydrophobicContact CG-CG 4.36Å; Q90-E94 VanDerWaalsContact CG-OE1 3.25Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.28Å; Q90-E94 PolarHBondContact NE2-OE1 3.34Å; Q90-E94 WeakPolarHBondContact O-CG 3.47Å; Q90-E94 PolarHBondContact O-N 3.06Å
95C84.3Confident90.3Very high66 Ų6658.4 Ų58.445%0.44633%0.326SS..  trans-13890-179.7-77.50000111.7L91 K92 A97 L98L91-C95 PolarHBondContact O-N 3.13Å; K92-C95 CarbonylContact O-C 3.44Å; C95-A97 PolarHBondContact O-N 2.88Å; C95-L98 HydrophobicContact CB-CD1 3.7Å; C95-L98 HydrophobicContact CB-CG 3.65Å; C95-L98 WeakPolarHBondContact O-CB 3.27Å; C95-L98 PolarHBondContact O-N 3.43Å
96P88.5Confident90.2Very high96 Ų9660.1 Ų60.162%0.62333%0.332SS*.THydrogen-bonded Turntrans-58.5-21.2179-28.236.4000114.7K92 L98K92-P96 WeakPolarHBondContact CE-O 3.47Å; K92-P96 PolarHBondContact NZ-O 3.07Å; K92-P96 WeakPolarHBondContact O-CA 3.41Å; P96-L98 VanDerWaalsContact C-N 3.3Å; P96-L98 PolarHBondContact O-N 2.66Å
97A86.9Confident90.1Very high85 Ų8557.4 Ų57.470%0.70231%0.309SS*.THydrogen-bonded Turntrans-70.9-19.1175.200000114.2C95 F99C95-A97 PolarHBondContact O-N 2.88Å; A97-F99 PolarHBondContact O-N 2.91Å
98L88.6Confident89.9Confident44 Ų4458.1 Ų58.123%0.2332%0.32CS..  trans-61.1128.5-174.6-75.6175000112.4L91 K92 C95 P96 E102 I103L91-L98 HydrophobicContact CB-CD1 4.27Å; L91-L98 WeakPolarHBondContact O-CD1 3.46Å; K92-L98 PolarHBondContact NZ-O 3.39Å; C95-L98 HydrophobicContact CB-CD1 3.7Å; C95-L98 HydrophobicContact CB-CG 3.65Å; C95-L98 WeakPolarHBondContact O-CB 3.27Å; C95-L98 PolarHBondContact O-N 3.43Å; P96-L98 VanDerWaalsContact C-N 3.3Å; P96-L98 PolarHBondContact O-N 2.66Å; L98-E102 WeakPolarHBondContact CA-OE2 3.46Å; L98-E102 HydrophobicContact CD2-CB 3.85Å; L98-I103 HydrophobicContact CB-CD1 4.4Å; L98-I103 HydrophobicContact CB-CG1 4.11Å
99F91.1Very high89.6Confident109 Ų10961.8 Ų61.848%0.47835%0.351SS..  trans-80153173-65.7-77.8000110.9A97 W101 E102 I103A97-F99 PolarHBondContact O-N 2.91Å; F99-W101 VanDerWaalsContact CB-CD1 3.41Å; F99-W101 HydrophobicContact CB-CG 4.41Å; F99-W101 AromaticContact CG-NE1 3.87Å; F99-W101 PolarHBondContact O-N 3.31Å; F99-E102 HydrophobicContact CB-CG 4.48Å; F99-E102 WeakPolarHBondContact CD2-OE2 3.4Å; F99-E102 PolarHBondContact N-OE2 3.14Å; F99-E102 WeakPolarHBondContact O-CB 3.46Å; F99-E102 PolarHBondContact O-N 3.33Å; F99-I103 PolarHBondContact O-N 3.49Å
100A90.5Very high89.2Confident9 Ų963.1 Ų63.17%0.07435%0.351CS..Hα-helixtrans-59-22.6-179.600000114.8Q104 V121 I124 N125A100-Q104 WeakPolarHBondContact O-CB 3.49Å; A100-Q104 PolarHBondContact O-N 3.46Å; A100-V121 HydrophobicContact CB-CG1 3.8Å; A100-I124 HydrophobicContact CB-CB 4.17Å; A100-I124 HydrophobicContact CB-CG2 3.79Å; A100-I124 WeakPolarHBondContact O-CD1 3.39Å; A100-N125 WeakPolarHBondContact CB-ND2 3.48Å
101W89.4Confident88.6Confident75 Ų7561.4 Ų61.428%0.28436%0.359SS..Hα-helixtrans-78.8-28.4173.474-89.2000112.8F99 Q104 R105 V121F99-W101 VanDerWaalsContact CB-CD1 3.41Å; F99-W101 HydrophobicContact CB-CG 4.41Å; F99-W101 AromaticContact CG-NE1 3.87Å; F99-W101 PolarHBondContact O-N 3.31Å; W101-Q104 WeakPolarHBondContact O-CB 3.27Å; W101-Q104 PolarHBondContact O-N 3.09Å; W101-R105 PolarHBondContact O-N 3.39Å; W101-V121 HydrophobicContact CB-CG2 4.14Å
102E91.5Very high87.8Confident52 Ų5264.9 Ų64.924%0.24338%0.377CS..Hα-helixtrans-74.4-43174.8-66.4160.5163.900109.5L98 F99 Q104 R105 Q106L98-E102 WeakPolarHBondContact CA-OE2 3.46Å; L98-E102 HydrophobicContact CD2-CB 3.85Å; F99-E102 HydrophobicContact CB-CG 4.48Å; F99-E102 WeakPolarHBondContact CD2-OE2 3.4Å; F99-E102 PolarHBondContact N-OE2 3.14Å; F99-E102 WeakPolarHBondContact O-CB 3.46Å; F99-E102 PolarHBondContact O-N 3.33Å; E102-Q104 VanDerWaalsContact C-N 3.28Å; E102-Q104 PolarHBondContact O-N 3.36Å; E102-R105 PolarHBondContact O-N 3.03Å; E102-R105 VanDerWaalsContact O-N 3.15Å; E102-Q106 WeakPolarHBondContact O-CB 3.41Å; E102-Q106 PolarHBondContact O-N 3.22Å
103I90.9Very high87.2Confident0 Ų062.2 Ų62.20%037%0.367CS..Hα-helixtrans-56.7-43.9169.7-63170.2000110.1I88 L91 K92 L98 F99 R105 Q106 L107 I124 L128I88-I103 HydrophobicContact CB-CG2 4.39Å; I88-I103 HydrophobicContact CG1-CG2 3.85Å; I88-I103 HydrophobicContact CG2-CG2 4.41Å; L91-I103 HydrophobicContact CD1-CG2 4.22Å; K92-I103 HydrophobicContact CD-CD1 4.34Å; L98-I103 HydrophobicContact CB-CD1 4.4Å; L98-I103 HydrophobicContact CB-CG1 4.11Å; F99-I103 PolarHBondContact O-N 3.49Å; I103-R105 PolarHBondContact O-N 2.96Å; I103-Q106 PolarHBondContact O-N 2.99Å; I103-L107 HydrophobicContact CG2-CD1 4.16Å; I103-L107 HydrophobicContact CG2-CG 4.46Å; I103-L107 VanDerWaalsContact O-CG 3.29Å; I103-L107 WeakPolarHBondContact O-CG 3.42Å; I103-L107 PolarHBondContact O-N 3.38Å; I103-I124 HydrophobicContact CB-CG2 4.35Å; I103-I124 HydrophobicContact CG2-CG2 4.02Å; I103-L128 HydrophobicContact CD1-CD1 4.12Å
104Q90.1Very high86.5Confident54 Ų5462.9 Ų62.925%0.25236%0.359SS..Hα-helixtrans-59-47.3174.8-165.1-175.4-300112.2A100 W101 E102 Q106 L107 C108 T118 I124A100-Q104 WeakPolarHBondContact O-CB 3.49Å; A100-Q104 PolarHBondContact O-N 3.46Å; W101-Q104 WeakPolarHBondContact O-CB 3.27Å; W101-Q104 PolarHBondContact O-N 3.09Å; E102-Q104 VanDerWaalsContact C-N 3.28Å; E102-Q104 PolarHBondContact O-N 3.36Å; Q104-Q106 VanDerWaalsContact C-N 3.3Å; Q104-Q106 PolarHBondContact O-N 3.32Å; Q104-L107 PolarHBondContact O-N 3.19Å; Q104-C108 PolarHBondContact O-N 2.94Å; Q104-C108 PolarHBondContact O-SG 3.34Å; Q104-C108 VanDerWaalsContact O-SG 3.37Å; Q104-T118 HydrophobicContact CG-CG2 3.39Å; Q104-I124 HydrophobicContact CB-CD1 3.57Å; Q104-I124 HydrophobicContact CG-CD1 3.98Å
105R89.8Confident85.4Confident128 Ų12866.6 Ų66.648%0.48338%0.377SS..Hα-helixtrans-60.8-40.6178.5-166.9175.784.8159.711.6111.5W101 E102 I103 C108 A109 E234W101-R105 PolarHBondContact O-N 3.39Å; E102-R105 PolarHBondContact O-N 3.03Å; E102-R105 VanDerWaalsContact O-N 3.15Å; I103-R105 PolarHBondContact O-N 2.96Å; R105-C108 PolarHBondContact O-N 3.33Å; R105-A109 WeakPolarHBondContact O-CB 3.29Å; R105-A109 PolarHBondContact O-N 2.94Å; R105-E234 IonicContact NH1-OE1 2.74Å; R105-E234 PolarHBondContact NH1-OE1 3.12Å
106Q89.9Confident84.8Confident74 Ų7470.4 Ų70.435%0.34639%0.393SS..Hα-helixtrans-68.1-42.8179.8-166.863.52100112.3L91 E102 I103 Q104 C108 A109 E110L91-Q106 HydrophobicContact CD1-CB 3.91Å; L91-Q106 HydrophobicContact CD1-CG 3.73Å; L91-Q106 HydrophobicContact CD2-CG 3.79Å; L91-Q106 HydrophobicContact CG-CG 4.43Å; E102-Q106 WeakPolarHBondContact O-CB 3.41Å; E102-Q106 PolarHBondContact O-N 3.22Å; I103-Q106 PolarHBondContact O-N 2.99Å; Q104-Q106 VanDerWaalsContact C-N 3.3Å; Q104-Q106 PolarHBondContact O-N 3.32Å; Q106-C108 VanDerWaalsContact C-N 3.26Å; Q106-C108 PolarHBondContact O-N 3.46Å; Q106-A109 PolarHBondContact O-N 3.5Å; Q106-A109 VanDerWaalsContact O-N 3.12Å; Q106-E110 VanDerWaalsContact CG-OE1 3.31Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.46Å; Q106-E110 PolarHBondContact NE2-OE1 3.42Å; Q106-E110 WeakPolarHBondContact O-CG 3.44Å; Q106-E110 PolarHBondContact O-N 3.25Å
107L89.4Confident84.1Confident0 Ų072.1 Ų72.10%039%0.39CS..Hα-helixtrans-60.6-33.6174.2-69.9169.3000113V84 R87 I88 I103 Q104 L112 C113 P119 I124V84-L107 HydrophobicContact CG1-CD1 4.14Å; V84-L107 HydrophobicContact CG1-CD2 4.38Å; R87-L107 HydrophobicContact CB-CD2 3.98Å; R87-L107 HydrophobicContact CG-CD2 3.97Å; I88-L107 HydrophobicContact CD1-CD1 4.12Å; I88-L107 HydrophobicContact CG1-CD1 3.79Å; I103-L107 HydrophobicContact CG2-CD1 4.16Å; I103-L107 HydrophobicContact CG2-CG 4.46Å; I103-L107 VanDerWaalsContact O-CG 3.29Å; I103-L107 WeakPolarHBondContact O-CG 3.42Å; I103-L107 PolarHBondContact O-N 3.38Å; Q104-L107 PolarHBondContact O-N 3.19Å; L107-L112 HydrophobicContact CD2-CD1 4.12Å; L107-L112 PolarHBondContact O-N 3.06Å; L107-C113 PolarHBondContact O-N 3.46Å; L107-P119 HydrophobicContact CD1-CG 4.12Å; L107-I124 HydrophobicContact CD1-CD1 4.38Å
108C87.3Confident83.8Confident59 Ų5968.9 Ų68.940%0.39936%0.362SS..Hα-helixtrans-71-44.6171.6-64.60000111.8Q104 R105 Q106 E110 G111 T118Q104-C108 PolarHBondContact O-N 2.94Å; Q104-C108 PolarHBondContact O-SG 3.34Å; Q104-C108 VanDerWaalsContact O-SG 3.37Å; R105-C108 PolarHBondContact O-N 3.33Å; Q106-C108 VanDerWaalsContact C-N 3.26Å; Q106-C108 PolarHBondContact O-N 3.46Å; C108-E110 VanDerWaalsContact C-N 3.29Å; C108-E110 PolarHBondContact O-N 2.9Å; C108-G111 PolarHBondContact O-N 3.31Å; C108-G111 VanDerWaalsContact O-N 3.14Å; C108-T118 VanDerWaalsContact SG-CG2 3.55Å; C108-T118 PolarHBondContact SG-OG1 3.42Å
109A85.9Confident83.6Confident78 Ų7866.8 Ų66.865%0.64535%0.351SS*.Hα-helixtrans-63.9-33.5-178.400000112.8R105 Q106 G111R105-A109 WeakPolarHBondContact O-CB 3.29Å; R105-A109 PolarHBondContact O-N 2.94Å; Q106-A109 PolarHBondContact O-N 3.5Å; Q106-A109 VanDerWaalsContact O-N 3.12Å; A109-G111 VanDerWaalsContact C-N 3.27Å; A109-G111 PolarHBondContact O-N 3.49Å
110E85.5Confident83.5Confident64 Ų6464.7 Ų64.730%0.29935%0.35SS..THydrogen-bonded Turntrans-82.81.8177.5-67.5170.7-175.600113.5R87 Q106 C108 L112R87-E110 WeakPolarHBondContact CG-OE2 3.38Å; R87-E110 IonicContact CZ-OE1 3.58Å; R87-E110 IonicContact CZ-OE2 3.84Å; R87-E110 IonicContact NE-OE1 2.69Å; R87-E110 PolarHBondContact NE-OE1 3.05Å; R87-E110 IonicContact NE-OE2 3.91Å; R87-E110 PolarHBondContact NE-OE2 2.95Å; R87-E110 IonicContact NH2-OE1 2.95Å; R87-E110 PolarHBondContact NH2-OE1 2.97Å; R87-E110 IonicContact NH2-OE2 2.95Å; Q106-E110 VanDerWaalsContact CG-OE1 3.31Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.46Å; Q106-E110 PolarHBondContact NE2-OE1 3.42Å; Q106-E110 WeakPolarHBondContact O-CG 3.44Å; Q106-E110 PolarHBondContact O-N 3.25Å; C108-E110 VanDerWaalsContact C-N 3.29Å; C108-E110 PolarHBondContact O-N 2.9Å; E110-L112 HydrophobicContact CB-CD1 4.25Å; E110-L112 HydrophobicContact CB-CG 4.17Å; E110-L112 PolarHBondContact O-N 3.4Å; E110-L112 VanDerWaalsContact O-N 3.09Å
111G79.9Confident83.5Confident59 Ų5967 Ų6761%0.60836%0.363SS*.THydrogen-bonded Turntrans692.9179.100000115.3C108 A109 C113C108-G111 PolarHBondContact O-N 3.31Å; C108-G111 VanDerWaalsContact O-N 3.14Å; A109-G111 VanDerWaalsContact C-N 3.27Å; A109-G111 PolarHBondContact O-N 3.49Å; G111-C113 PolarHBondContact O-N 3Å
112L74.8Confident83.4Confident80 Ų8067.2 Ų67.242%0.41938%0.376SS..SBendtrans-66-19.8180-66.4174.3000113R87 L107 E110R87-L112 HydrophobicContact CB-CD1 3.85Å; R87-L112 HydrophobicContact CG-CD1 3.63Å; L107-L112 HydrophobicContact CD2-CD1 4.12Å; L107-L112 PolarHBondContact O-N 3.06Å; E110-L112 HydrophobicContact CB-CD1 4.25Å; E110-L112 HydrophobicContact CB-CG 4.17Å; E110-L112 PolarHBondContact O-N 3.4Å; E110-L112 VanDerWaalsContact O-N 3.09Å
113C77.9Confident83.3Confident12 Ų1266.3 Ų66.38%0.08138%0.375CS..SBendtrans-134.1129.9171.1-68.10000110.5L107 G111 T118L107-C113 PolarHBondContact O-N 3.46Å; G111-C113 PolarHBondContact O-N 3Å; C113-T118 WeakPolarHBondContact CB-OG1 3.5Å
114T74.8Confident83.3Confident74 Ų7466.3 Ų66.345%0.45438%0.375SS..  trans-68.8157.7161.162.50000109.4D116 K117 T118T114-D116 PolarHBondContact O-N 2.97Å; T114-K117 CarbonylContact O-C 3.56Å; T114-K117 WeakPolarHBondContact O-CA 3.32Å; T114-K117 PolarHBondContact O-N 3.06Å; T114-K117 WeakPolarHBondContact OG1-CD 3.35Å; T114-K117 WeakPolarHBondContact OG1-CG 3.49Å; T114-T118 PolarHBondContact O-N 3.35Å; T114-T118 VanDerWaalsContact O-N 3.1Å; T114-T118 PolarHBondContact O-OG1 2.79Å; T114-T118 VanDerWaalsContact O-OG1 3.12Å
115Q67.2Low83.4Confident181 Ų18166.5 Ų66.585%0.84638%0.378SS*.THydrogen-bonded Turntrans-48.4-39.9-174.8-172.5169.4-700113.7
116D70.4Confident83.4Confident145 Ų14568.8 Ų68.878%0.77539%0.387SS*.THydrogen-bonded Turntrans-81.1-15.2-179.6-36.9-74.2000114.4T114T114-D116 PolarHBondContact O-N 2.97Å
117K75.1Confident83.5Confident132 Ų13266.1 Ų66.157%0.57438%0.375SS*.THydrogen-bonded Turntrans-102.9-6.3-178.9-65.4177.9-171.6167.20112.8L79 T114L79-K117 HydrophobicContact CD2-CB 4.4Å; T114-K117 CarbonylContact O-C 3.56Å; T114-K117 WeakPolarHBondContact O-CA 3.32Å; T114-K117 PolarHBondContact O-N 3.06Å; T114-K117 WeakPolarHBondContact OG1-CD 3.35Å; T114-K117 WeakPolarHBondContact OG1-CG 3.49Å
118T80.3Confident83.5Confident17 Ų1767.6 Ų67.610%0.10438%0.383CS..PPolyproline II helixtrans-64.1124.3-179-60.90000111.2Q104 C108 C113 T114 S120Q104-T118 HydrophobicContact CG-CG2 3.39Å; C108-T118 VanDerWaalsContact SG-CG2 3.55Å; C108-T118 PolarHBondContact SG-OG1 3.42Å; C113-T118 WeakPolarHBondContact CB-OG1 3.5Å; T114-T118 PolarHBondContact O-N 3.35Å; T114-T118 VanDerWaalsContact O-N 3.1Å; T114-T118 PolarHBondContact O-OG1 2.79Å; T114-T118 VanDerWaalsContact O-OG1 3.12Å; T118-S120 PolarHBondContact O-N 3.41Å
119P85Confident83.6Confident1 Ų170.8 Ų70.81%0.00639%0.387CS..PPolyproline II helixtrans-64.3135.1177.227.3-34.7000110.4V84 L107 I124V84-P119 HydrophobicContact CG1-CG 4.01Å; L107-P119 HydrophobicContact CD1-CG 4.12Å; P119-I124 HydrophobicContact CB-CG1 4.08Å; P119-I124 HydrophobicContact CG-CD1 4.22Å; P119-I124 HydrophobicContact CG-CG1 3.91Å; P119-I124 WeakPolarHBondContact O-CD1 3.45Å
120S89Confident83.7Confident64 Ų6469.6 Ų69.645%0.44838%0.376SS..PPolyproline II helixtrans-62.6155.3178.270.50000111.9T118 S122 S123 I124T118-S120 PolarHBondContact O-N 3.41Å; S120-S122 PolarHBondContact O-N 2.96Å; S120-S123 CarbonylContact O-C 3.58Å; S120-S123 WeakPolarHBondContact O-CA 3.2Å; S120-S123 WeakPolarHBondContact O-CB 3.44Å; S120-S123 PolarHBondContact O-N 3.26Å; S120-S123 PolarHBondContact OG-N 3.01Å; S120-I124 PolarHBondContact O-N 2.97Å
121V89.4Confident83.7Confident58 Ų5868.2 Ų68.235%0.35237%0.371SS..Hα-helixtrans-48.5-37.6174.1-174.70000112A100 W101 N125A100-V121 HydrophobicContact CB-CG1 3.8Å; W101-V121 HydrophobicContact CB-CG2 4.14Å; V121-N125 PolarHBondContact O-N 3.32Å; V121-N125 PolarHBondContact O-ND2 2.9Å
122S88.3Confident83.8Confident79 Ų7972 Ų7255%0.55237%0.373SS*.Hα-helixtrans-67.4-44175.2-172.90000112.2S120 N125 R126S120-S122 PolarHBondContact O-N 2.96Å; S122-N125 PolarHBondContact O-N 3.38Å; S122-R126 WeakPolarHBondContact O-CG 3.5Å; S122-R126 PolarHBondContact O-N 3.46Å
123S88.8Confident83.8Confident33 Ų3375.4 Ų75.423%0.23139%0.387CS..Hα-helixtrans-62-42.9175.4-164.70000112S120 N125 R126 V127S120-S123 CarbonylContact O-C 3.58Å; S120-S123 WeakPolarHBondContact O-CA 3.2Å; S120-S123 WeakPolarHBondContact O-CB 3.44Å; S120-S123 PolarHBondContact O-N 3.26Å; S120-S123 PolarHBondContact OG-N 3.01Å; S123-N125 VanDerWaalsContact C-N 3.33Å; S123-N125 PolarHBondContact O-N 3.3Å; S123-R126 WeakPolarHBondContact O-CB 3.5Å; S123-R126 PolarHBondContact O-N 3.27Å; S123-R126 VanDerWaalsContact O-N 3.08Å; S123-V127 WeakPolarHBondContact O-CG2 3.26Å; S123-V127 PolarHBondContact O-N 3.06Å
124I90.6Very high83.1Confident0 Ų081.8 Ų81.80%042%0.42CS..Hα-helixtrans-60.9-44.7176.4-64.5168.2000109.8I88 A100 I103 Q104 L107 P119 S120 R126 V127 L128I88-I124 HydrophobicContact CD1-CG1 4.17Å; I88-I124 HydrophobicContact CD1-CG2 4.43Å; I88-I124 HydrophobicContact CG2-CG2 4.24Å; A100-I124 HydrophobicContact CB-CB 4.17Å; A100-I124 HydrophobicContact CB-CG2 3.79Å; A100-I124 WeakPolarHBondContact O-CD1 3.39Å; I103-I124 HydrophobicContact CB-CG2 4.35Å; I103-I124 HydrophobicContact CG2-CG2 4.02Å; Q104-I124 HydrophobicContact CB-CD1 3.57Å; Q104-I124 HydrophobicContact CG-CD1 3.98Å; L107-I124 HydrophobicContact CD1-CD1 4.38Å; P119-I124 HydrophobicContact CB-CG1 4.08Å; P119-I124 HydrophobicContact CG-CD1 4.22Å; P119-I124 HydrophobicContact CG-CG1 3.91Å; P119-I124 WeakPolarHBondContact O-CD1 3.45Å; S120-I124 PolarHBondContact O-N 2.97Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 2.96Å; I124-V127 PolarHBondContact O-N 2.78Å; I124-L128 HydrophobicContact CG2-CD1 4.14Å; I124-L128 HydrophobicContact CG2-CG 4.38Å; I124-L128 WeakPolarHBondContact O-CG 3.36Å; I124-L128 PolarHBondContact O-N 3.23Å
125N93.3Very high82.5Confident59 Ų5985.5 Ų85.532%0.31643%0.432SS..Hα-helixtrans-62.9-29.4174.5-83.1-71.9000113.8A100 V121 S122 S123 R129A100-N125 WeakPolarHBondContact CB-ND2 3.48Å; V121-N125 PolarHBondContact O-N 3.32Å; V121-N125 PolarHBondContact O-ND2 2.9Å; S122-N125 PolarHBondContact O-N 3.38Å; S123-N125 VanDerWaalsContact C-N 3.33Å; S123-N125 PolarHBondContact O-N 3.3Å; N125-R129 VanDerWaalsContact O-CZ 3.26Å; N125-R129 PolarHBondContact O-N 3.22Å; N125-R129 PolarHBondContact O-NH1 3.45Å
126R89.8Confident81.6Confident176 Ų17679.8 Ų79.866%0.66442%0.422SS*.Hα-helixtrans-71.4-42.7172.2-68.6-177.874.9-151.72.4111.6S122 S123 I124 R129 A130S122-R126 WeakPolarHBondContact O-CG 3.5Å; S122-R126 PolarHBondContact O-N 3.46Å; S123-R126 WeakPolarHBondContact O-CB 3.5Å; S123-R126 PolarHBondContact O-N 3.27Å; S123-R126 VanDerWaalsContact O-N 3.08Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 2.96Å; R126-R129 PolarHBondContact O-N 3.49Å; R126-A130 PolarHBondContact O-N 3.07Å
127V90.6Very high80Confident18 Ų1880.3 Ų80.311%0.10942%0.424CS..Hα-helixtrans-60-47.1174.4171.60000110.7A80 V85 I88 S123 I124 R129 A130 L131A80-V127 HydrophobicContact CB-CG2 3.97Å; V85-V127 HydrophobicContact CB-CG1 4.33Å; V85-V127 HydrophobicContact CG1-CG1 3.9Å; V85-V127 HydrophobicContact CG2-CG1 4.04Å; V85-V127 HydrophobicContact CG2-CG2 4.31Å; I88-V127 HydrophobicContact CB-CG1 4.38Å; I88-V127 HydrophobicContact CD1-CB 4.44Å; I88-V127 HydrophobicContact CD1-CG1 4.12Å; I88-V127 HydrophobicContact CG2-CG1 3.96Å; S123-V127 WeakPolarHBondContact O-CG2 3.26Å; S123-V127 PolarHBondContact O-N 3.06Å; I124-V127 PolarHBondContact O-N 2.78Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 3.45Å; V127-A130 PolarHBondContact O-N 2.87Å; V127-L131 HydrophobicContact CG1-CD1 3.74Å; V127-L131 HydrophobicContact CG1-CG 4.23Å; V127-L131 WeakPolarHBondContact O-CB 3.46Å; V127-L131 VanDerWaalsContact O-CG 3.32Å; V127-L131 WeakPolarHBondContact O-CG 3.2Å; V127-L131 PolarHBondContact O-N 3.32Å
128L90.4Very high78.3Confident31 Ų3179.3 Ų79.316%0.16243%0.431CS..Hα-helixtrans-59.6-35.3178.3-72.1175.7000113.6I88 K92 I103 I124 Q132I88-L128 HydrophobicContact CG2-CD2 3.57Å; I88-L128 HydrophobicContact CG2-CG 3.97Å; K92-L128 HydrophobicContact CB-CD2 3.9Å; K92-L128 HydrophobicContact CD-CD2 4.41Å; K92-L128 HydrophobicContact CG-CD2 3.82Å; I103-L128 HydrophobicContact CD1-CD1 4.12Å; I124-L128 HydrophobicContact CG2-CD1 4.14Å; I124-L128 HydrophobicContact CG2-CG 4.38Å; I124-L128 WeakPolarHBondContact O-CG 3.36Å; I124-L128 PolarHBondContact O-N 3.23Å; L128-Q132 PolarHBondContact O-N 2.89Å
129R89.1Confident76.3Confident126 Ų12688.2 Ų88.248%0.47546%0.463SS..Hα-helixtrans-72.1-45.3173.8-75.6-173.2-67.4-86.83.6112.3N125 R126 V127 L131 Q132 E133N125-R129 VanDerWaalsContact O-CZ 3.26Å; N125-R129 PolarHBondContact O-N 3.22Å; N125-R129 PolarHBondContact O-NH1 3.45Å; R126-R129 PolarHBondContact O-N 3.49Å; V127-R129 VanDerWaalsContact C-N 3.29Å; V127-R129 PolarHBondContact O-N 3.45Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 3.3Å; R129-Q132 WeakPolarHBondContact O-CA 3.48Å; R129-Q132 WeakPolarHBondContact O-CB 3.49Å; R129-Q132 PolarHBondContact O-N 3.33Å; R129-E133 PolarHBondContact O-N 3.42Å
130A87.1Confident74.5Confident52 Ų5294.2 Ų94.243%0.4350%0.5SS..Hα-helixtrans-60-39.9177.100000112.1R126 V127 Q132 E133 D134R126-A130 PolarHBondContact O-N 3.07Å; V127-A130 PolarHBondContact O-N 2.87Å; A130-Q132 VanDerWaalsContact C-N 3.26Å; A130-Q132 PolarHBondContact O-N 3.47Å; A130-E133 PolarHBondContact O-N 2.93Å; A130-D134 WeakPolarHBondContact O-CB 3.31Å; A130-D134 PolarHBondContact O-N 3.05Å
131L85.7Confident72.6Confident36 Ų3699.8 Ų99.819%0.18852%0.519CS..Hα-helixtrans-65.6-26.4174.3-71169.2000113.5V85 I88 A89 V127 R129 Q135V85-L131 HydrophobicContact CG1-CD1 4.4Å; V85-L131 HydrophobicContact CG1-CD2 4.03Å; V85-L131 HydrophobicContact CG1-CG 4.46Å; I88-L131 HydrophobicContact CG2-CD1 4.45Å; A89-L131 HydrophobicContact CB-CD1 3.74Å; A89-L131 HydrophobicContact CB-CD2 4.39Å; V127-L131 HydrophobicContact CG1-CD1 3.74Å; V127-L131 HydrophobicContact CG1-CG 4.23Å; V127-L131 WeakPolarHBondContact O-CB 3.46Å; V127-L131 VanDerWaalsContact O-CG 3.32Å; V127-L131 WeakPolarHBondContact O-CG 3.2Å; V127-L131 PolarHBondContact O-N 3.32Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 3.3Å; L131-Q135 WeakPolarHBondContact O-CG 3.48Å; L131-Q135 PolarHBondContact O-N 3.37Å
132Q82.6Confident70.3Confident137 Ų137103.9 Ų103.964%0.6454%0.537SS*.Hα-helixtrans-81.9-29.7175.4-177.1165.855.800112.1L128 R129 A130L128-Q132 PolarHBondContact O-N 2.89Å; R129-Q132 WeakPolarHBondContact O-CA 3.48Å; R129-Q132 WeakPolarHBondContact O-CB 3.49Å; R129-Q132 PolarHBondContact O-N 3.33Å; A130-Q132 VanDerWaalsContact C-N 3.26Å; A130-Q132 PolarHBondContact O-N 3.47Å
133E74.9Confident67.8Low153 Ų153111.7 Ų111.772%0.71556%0.555SS**Hα-helixtrans-72.5-37.9172.1-70.1165.4-174.600111.6R129 A130 G136R129-E133 PolarHBondContact O-N 3.42Å; A130-E133 PolarHBondContact O-N 2.93Å; E133-G136 PolarHBondContact O-N 2.84Å
134D63.3Low65.1Low145 Ų145114.7 Ų114.778%0.77558%0.576SS**Hα-helixtrans-72.4-30.6179-157.542.7000112.8A130 G136A130-D134 WeakPolarHBondContact O-CB 3.31Å; A130-D134 PolarHBondContact O-N 3.05Å; D134-G136 PolarHBondContact O-N 3.05Å
135Q62.4Low63.3Low153 Ų153120.6 Ų120.672%0.71561%0.614SS**THydrogen-bonded Turntrans-80.835170.6-70.8-170.368.400113.2L131 L137L131-Q135 WeakPolarHBondContact O-CG 3.48Å; L131-Q135 PolarHBondContact O-N 3.37Å; Q135-L137 PolarHBondContact O-N 2.9Å
136G48.5Very low60.4Low61 Ų61122.3 Ų122.363%0.62964%0.637SS**  trans-72.150.7-174.900000116.5E133 D134E133-G136 PolarHBondContact O-N 2.84Å; D134-G136 PolarHBondContact O-N 3.05Å
137L36.2Very low57.8Low156 Ų156121 Ų12182%0.81765%0.648SS**SBendtrans-126.4144.9157.3-74.3174.5000108.8Q135 W139Q135-L137 PolarHBondContact O-N 2.9Å; L137-W139 PolarHBondContact O-N 2.91Å
138P39.3Very low55.2Low111 Ų111128.1 Ų128.172%0.72168%0.684SS**  trans-78.3112.8-142.527.9-36.1000114.6T140P138-T140 PolarHBondContact O-N 3.37Å
139W38.5Very low52.3Low204 Ų204131.2 Ų131.277%0.77372%0.715SS**  trans-75.21.1168.4105.8-88000113.7L137 Q141L137-W139 PolarHBondContact O-N 2.91Å; W139-Q141 PolarHBondContact O-N 3.2Å
140T46.9Very low50.1Low127 Ų127131.3 Ų131.378%0.77973%0.732SS**  trans-70.926.5-172.4-25.40000115.3P138P138-T140 PolarHBondContact O-N 3.37Å
141Q48.3Very low47.5Very low181 Ų181133 Ų13385%0.84675%0.745SS**  trans-151.860.5172.4-153.6156.61.200114.9W139W139-Q141 PolarHBondContact O-N 3.2Å
142L41.9Very low44.9Very low143 Ų143139.7 Ų139.775%0.74978%0.78SS**  trans-138.477.1151.9-149.776000112.7
143R36.7Very low42.7Very low244 Ų244141 Ų14192%0.92179%0.791SS**  trans-130.291.4158.9-158.6-179.4-162.7-1633.2108.6
144S31.9Very low40.6Very low95 Ų95140.4 Ų140.466%0.66480%0.798SS**  trans-73.7178177-46.20000111.5
145P51.1Low39.4Very low125 Ų125139.2 Ų139.281%0.81280%0.798SS**  -121.8149.1-70.935.3-22.8000110.7
146A32.8Very low38Very low95 Ų95140.9 Ų140.979%0.78581%0.805SS**  trans-143100.8175.800000112.5
147V35.1Very low37.2Very low148 Ų148143.9 Ų143.990%0.89782%0.817SS**  trans54.7129.5141.6-170.50000119.3
148L37.2Very low37Very low167 Ų167139.5 Ų139.587%0.87481%0.809SS**  trans-74.1170.7177.2-67.8160.6000113.5
149A29.6Very low36.6Very low97 Ų97139.6 Ų139.680%0.80281%0.813SS**  trans96.6155.4162.700000116.2
150P41.8Very low36.2Very low128 Ų128139.5 Ų139.583%0.83182%0.821SS**  -128.2179-103.723.21000115
151A33.9Very low35.8Very low87 Ų87139.2 Ų139.272%0.71982%0.819SS**  trans-68.8150.6-172.300000115.5
152L29.3Very low35.2Very low177 Ų177136.9 Ų136.993%0.92782%0.819SS**  trans-129.1132.4148.3-75179000109.6
153L36.6Very low34.9Very low163 Ų163141.5 Ų141.585%0.85383%0.827SS**  trans-92.6145.3179.5-66.3164000110.3
154T31.6Very low34.7Very low142 Ų142132.3 Ų132.387%0.87181%0.808SS**  trans-159.8159.1150.614.40000109
155P37.9Very low35.1Very low119 Ų119133.8 Ų133.877%0.77382%0.815SS**  trans-105.4173.3-134.239.3-39.5000117.4
156H33.1Very low34.5Very low188 Ų188136 Ų13687%0.8782%0.815SS**  trans-36.4136.5172-84.1-108.1000116.4
157S32.3Very low35Very low124 Ų124137.6 Ų137.687%0.86782%0.817SS**  trans-129.4132.4141.5-171.90000108.6
158G31Very low35.1Very low64 Ų64133.4 Ų133.466%0.6680%0.804SS**  trans-83.1140.7-166.100000114.1
159S31Very low36Very low113 Ų113132.7 Ų132.779%0.7981%0.806SS**  trans-154.687.3162.6-73.40000108.4T161S159-T161 PolarHBondContact O-N 3.3Å
160E31Very low36.3Very low203 Ų203131.2 Ų131.295%0.94980%0.8SS**  trans-65.7116.7177.4-65.1-167.597.300110.1
161T37.3Very low36.7Very low121 Ų121132.9 Ų132.974%0.74280%0.797SS**  trans-119.4129.916837.20000108.5S159 R163S159-T161 PolarHBondContact O-N 3.3Å; T161-R163 PolarHBondContact O-N 3.03Å
162P35.5Very low37.6Very low131 Ų131139.8 Ų139.885%0.85180%0.804SS**  trans-59125.8-175.6-27.235.5000112.1G164P162-G164 VanDerWaalsContact C-N 3.34Å; P162-G164 PolarHBondContact O-N 3.33Å
163R35.7Very low38.7Very low240 Ų240138.8 Ų138.891%0.90680%0.8SS**  trans-70.887.8-179.9-165.5-176.6-59.9-175.52.9109.9T161T161-R163 PolarHBondContact O-N 3.03Å
164G33Very low40.3Very low51 Ų51141.6 Ų141.653%0.52680%0.799SS.*PPolyproline II helixtrans-60.2151.7177.600000112.6P162 H166P162-G164 VanDerWaalsContact C-N 3.34Å; P162-G164 PolarHBondContact O-N 3.33Å; G164-H166 PolarHBondContact O-N 2.88Å
165P40Very low42.5Very low126 Ų126138 Ų13882%0.81878%0.777SS**PPolyproline II helixtrans-60.8135.4-179.8-21.232.7000111.8P167P165-P167 VanDerWaalsContact O-CD 3.26Å; P165-P167 WeakPolarHBondContact O-CD 3.37Å
166H39.1Very low44.6Very low173 Ų173139.7 Ų139.780%0.80178%0.778SS**PPolyproline II helixtrans-55.3119.9177.5-61.4-81000111.4G164 G168G164-H166 PolarHBondContact O-N 2.88Å; H166-G168 PolarHBondContact O-N 3.18Å; H166-G168 VanDerWaalsContact O-N 3.07Å
167P42.5Very low47.2Very low128 Ų128133.7 Ų133.783%0.83175%0.75SS**  trans-70.2107173.2-1832.7000109.7P165P165-P167 VanDerWaalsContact O-CD 3.26Å; P165-P167 WeakPolarHBondContact O-CD 3.37Å
168G37.8Very low50Low60 Ų60130.2 Ų130.262%0.61973%0.726SS**  trans-61.6145.7176.100000112.4H166 G170H166-G168 PolarHBondContact O-N 3.18Å; H166-G168 VanDerWaalsContact O-N 3.07Å; G168-G170 VanDerWaalsContact C-N 3.28Å; G168-G170 PolarHBondContact O-N 2.95Å
169T55.8Low52.7Low151 Ų151132.5 Ų132.593%0.92673%0.729SS**  trans37.748.6156.240.60000116.7H171T169-H171 PolarHBondContact O-N 3.08Å
170G36.8Very low55.6Low66 Ų66130.8 Ų130.868%0.6872%0.717SS**  trans-60.9104.4170.300000111.2G168 R172G168-G170 VanDerWaalsContact C-N 3.28Å; G168-G170 PolarHBondContact O-N 2.95Å; G170-R172 PolarHBondContact O-N 3.32Å
171H49.3Very low58.5Low164 Ų164123 Ų12376%0.75968%0.68SS**  trans-58.199.9165.4170.7-71.9000107.8T169 N173T169-H171 PolarHBondContact O-N 3.08Å; H171-N173 PolarHBondContact O-N 2.99Å
172R53.8Low61.2Low231 Ų231119 Ų11987%0.87266%0.659SS**  trans-46.3117.4-175.6-65.9-175.3-179-165.6-0.8109.9G170 R174G170-R172 PolarHBondContact O-N 3.32Å; R172-R174 PolarHBondContact O-N 3.28Å
173N51.3Low63.9Low157 Ų157119.5 Ų119.584%0.8465%0.65SS**  trans-55.3110.4179.4-66.754.2000108.5H171 T175H171-N173 PolarHBondContact O-N 2.99Å; N173-T175 PolarHBondContact O-N 3.46Å
174R71.6Confident66.6Low221 Ų221109.8 Ų109.883%0.83462%0.622SS**PPolyproline II helixtrans-68.8117.9-175.5179.2177.2178.4173.4-1.8108.4R172 I176R172-R174 PolarHBondContact O-N 3.28Å; R174-I176 PolarHBondContact O-N 3.07Å; R174-I176 VanDerWaalsContact O-N 3.14Å
175T77.4Confident69.6Low67 Ų67107.4 Ų107.441%0.41160%0.597SS.*PPolyproline II helixtrans-56.3120171.9-43.90000109.3N173 F177 L209 T213N173-T175 PolarHBondContact O-N 3.46Å; T175-F177 HydrophobicContact CG2-CD1 4.12Å; T175-F177 HydrophobicContact CG2-CE1 3.74Å; T175-F177 HydrophobicContact CG2-CZ 4.18Å; T175-L209 HydrophobicContact CG2-CD2 4.28Å; T175-T213 HydrophobicContact CG2-CG2 4.21Å
176I80.9Confident72.2Confident155 Ų155103.4 Ų103.480%0.79557%0.567SS**PPolyproline II helixtrans-94.9117.8168.8-57.4178.6000105.7R174R174-I176 PolarHBondContact O-N 3.07Å; R174-I176 VanDerWaalsContact O-N 3.14Å
177F87.4Confident74.8Confident62 Ų62102 Ų10227%0.27256%0.559SS.*PPolyproline II helixtrans-80.5134.9178.2-56-70.9000109.8T175 Q181 A182 L185 L209 T213 W217T175-F177 HydrophobicContact CG2-CD1 4.12Å; T175-F177 HydrophobicContact CG2-CE1 3.74Å; T175-F177 HydrophobicContact CG2-CZ 4.18Å; F177-Q181 HydrophobicContact CB-CB 4.44Å; F177-A182 HydrophobicContact CB-CB 4.35Å; F177-L185 HydrophobicContact CD1-CD1 4.45Å; F177-L209 HydrophobicContact CD1-CD1 3.69Å; F177-L209 HydrophobicContact CD1-CD2 4.18Å; F177-L209 HydrophobicContact CE1-CD1 3.7Å; F177-L209 HydrophobicContact CE1-CD2 4.17Å; F177-T213 HydrophobicContact CE1-CG2 3.64Å; F177-T213 HydrophobicContact CZ-CG2 3.84Å; F177-W217 AromaticContact CE2-CD1 3.6Å; F177-W217 AromaticContact CZ-CD1 3.79Å
178S91.1Very high77.3Confident51 Ų5198.3 Ų98.336%0.35753%0.53SS..PPolyproline II helixtrans-58148.8163.8176.90000110.2S180 Q181 A182S178-S180 PolarHBondContact O-N 3.27Å; S178-S180 PolarHBondContact OG-OG 2.96Å; S178-Q181 WeakPolarHBondContact O-CB 3.39Å; S178-Q181 PolarHBondContact O-N 2.88Å; S178-Q181 VanDerWaalsContact O-N 3.07Å; S178-A182 PolarHBondContact O-N 2.94Å
179P89.5Confident80Confident111 Ų11195.8 Ų95.872%0.72150%0.502SS*.Hα-helixtrans-49.8-43.2174.1-28.836.2000113.3Q181 A182 E183P179-Q181 PolarHBondContact O-N 3.04Å; P179-A182 PolarHBondContact O-N 3.21Å; P179-E183 WeakPolarHBondContact O-CB 3.44Å; P179-E183 PolarHBondContact O-N 3.23Å
180S90.1Very high81.7Confident78 Ų7895.9 Ų95.955%0.54549%0.492SS..Hα-helixtrans-66.3-36.6178.655.60000113.6S178 A184S178-S180 PolarHBondContact O-N 3.27Å; S178-S180 PolarHBondContact OG-OG 2.96Å; S180-A184 WeakPolarHBondContact O-CB 3.49Å; S180-A184 PolarHBondContact O-N 3.07Å
181Q92.6Very high84.1Confident39 Ų39101.9 Ų101.918%0.18249%0.494CS..Hα-helixtrans-67.2-42173.9-68.3171.6-37.500110.9F177 S178 P179 L185 T207 L209F177-Q181 HydrophobicContact CB-CB 4.44Å; S178-Q181 WeakPolarHBondContact O-CB 3.39Å; S178-Q181 PolarHBondContact O-N 2.88Å; S178-Q181 VanDerWaalsContact O-N 3.07Å; P179-Q181 PolarHBondContact O-N 3.04Å; Q181-L185 WeakPolarHBondContact O-CD1 3.46Å; Q181-L185 VanDerWaalsContact O-CG 3.23Å; Q181-L185 WeakPolarHBondContact O-CG 3.46Å; Q181-L185 PolarHBondContact O-N 3.2Å; Q181-L185 VanDerWaalsContact O-N 3.13Å; Q181-T207 WeakPolarHBondContact CG-O 3.39Å; Q181-T207 PolarHBondContact NE2-O 3.13Å; Q181-L209 HydrophobicContact CB-CD1 4.45Å
182A93.6Very high86Confident36 Ų3695.5 Ų95.530%0.29847%0.473SS..Hα-helixtrans-65.9-40.3178.100000111.9F177 S178 P179 L185 E186F177-A182 HydrophobicContact CB-CB 4.35Å; S178-A182 PolarHBondContact O-N 2.94Å; P179-A182 PolarHBondContact O-N 3.21Å; A182-L185 PolarHBondContact O-N 3.14Å; A182-E186 WeakPolarHBondContact O-CB 3.41Å; A182-E186 PolarHBondContact O-N 2.82Å
183E93.2Very high87.8Confident142 Ų14287.6 Ų87.666%0.66445%0.446SS*.Hα-helixtrans-63.7-46.5175.6-174.8179-171.500112P179 L185 E186 K187P179-E183 WeakPolarHBondContact O-CB 3.44Å; P179-E183 PolarHBondContact O-N 3.23Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.89Å; E183-E186 PolarHBondContact O-N 3.1Å; E183-K187 WeakPolarHBondContact O-CB 3.41Å; E183-K187 PolarHBondContact O-N 3.04Å
184A92.7Very high89.7Confident37 Ų3788.2 Ų88.231%0.30644%0.438SS..Hα-helixtrans-59.6-41.6176.800000112.5S180 E188 T207S180-A184 WeakPolarHBondContact O-CB 3.49Å; S180-A184 PolarHBondContact O-N 3.07Å; A184-E188 PolarHBondContact O-N 3.16Å; A184-T207 HydrophobicContact CB-CG2 3.86Å
185L94.9Very high90.6Very high0 Ų078.8 Ų78.80%041%0.405CS..Hα-helixtrans-67.2-39.6175.9-69.1166.3000112.3F177 Q181 A182 E183 F189 L203 T207 L209 V214 W217 F218F177-L185 HydrophobicContact CD1-CD1 4.45Å; Q181-L185 WeakPolarHBondContact O-CD1 3.46Å; Q181-L185 VanDerWaalsContact O-CG 3.23Å; Q181-L185 WeakPolarHBondContact O-CG 3.46Å; Q181-L185 PolarHBondContact O-N 3.2Å; Q181-L185 VanDerWaalsContact O-N 3.13Å; A182-L185 PolarHBondContact O-N 3.14Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.89Å; L185-F189 WeakPolarHBondContact O-CB 3.47Å; L185-F189 PolarHBondContact O-N 3.26Å; L185-L203 HydrophobicContact CD2-CD2 4.48Å; L185-T207 HydrophobicContact CG-CG2 4.34Å; L185-L209 HydrophobicContact CD1-CD1 3.97Å; L185-V214 HydrophobicContact CD2-CG1 3.99Å; L185-V214 HydrophobicContact CD2-CG2 4.32Å; L185-W217 VanDerWaalsContact C-CH2 3.47Å; L185-W217 HydrophobicContact CB-CD2 3.9Å; L185-W217 HydrophobicContact CB-CE3 3.94Å; L185-W217 HydrophobicContact CB-CH2 3.74Å; L185-W217 HydrophobicContact CB-CZ2 3.64Å; L185-W217 HydrophobicContact CB-CZ3 3.87Å; L185-W217 HydrophobicContact CD1-CD2 3.97Å; L185-W217 HydrophobicContact CD1-CG 3.88Å; L185-W217 HydrophobicContact CD2-CD2 4.49Å; L185-W217 HydrophobicContact CD2-CE3 4.41Å; L185-W217 HydrophobicContact CG-CD2 4.35Å; L185-W217 WeakPolarHBondContact O-CH2 3.4Å; L185-W217 WeakPolarHBondContact O-CZ3 3.38Å; L185-F218 HydrophobicContact CD2-CE2 3.96Å
186E95Very high91.3Very high43 Ų4380.4 Ų80.420%0.20141%0.411CS..Hα-helixtrans-70.1-38.2177.4-165.568.8-125.800112.3A182 E183 E188 F189 Q190 W217 R221A182-E186 WeakPolarHBondContact O-CB 3.41Å; A182-E186 PolarHBondContact O-N 2.82Å; E183-E186 PolarHBondContact O-N 3.1Å; E186-E188 PolarHBondContact O-N 3.44Å; E186-F189 WeakPolarHBondContact O-CB 3.35Å; E186-F189 PolarHBondContact O-N 2.99Å; E186-Q190 WeakPolarHBondContact O-CG 3.49Å; E186-Q190 PolarHBondContact O-N 2.79Å; E186-W217 HydrophobicContact CB-CH2 4.49Å; E186-R221 IonicContact OE1-CZ 2.73Å; E186-R221 IonicContact OE1-NE 3.44Å; E186-R221 PolarHBondContact OE1-NE 2.97Å; E186-R221 IonicContact OE1-NH1 3.78Å; E186-R221 IonicContact OE1-NH2 3.97Å; E186-R221 PolarHBondContact OE1-NH2 2.91Å; E186-R221 IonicContact OE2-CZ 3.27Å; E186-R221 IonicContact OE2-NE 3.64Å; E186-R221 PolarHBondContact OE2-NE 3.46Å; E186-R221 IonicContact OE2-NH1 2.87Å; E186-R221 PolarHBondContact OE2-NH1 3.12Å; E186-R221 IonicContact OE2-NH2 3.75Å; E186-R221 PolarHBondContact OE2-NH2 3.42Å
187K93.9Very high91.8Very high144 Ų14476.3 Ų76.363%0.62640%0.397SS*.Hα-helixtrans-60.3-44.1175.2-176.2177.5-178.7176.50111.9E183 Q190 R191E183-K187 WeakPolarHBondContact O-CB 3.41Å; E183-K187 PolarHBondContact O-N 3.04Å; K187-Q190 PolarHBondContact O-N 3.29Å; K187-R191 PolarHBondContact O-N 3.13Å
188E94.3Very high92Very high50 Ų5077.9 Ų77.923%0.23441%0.411CS..Hα-helixtrans-74.4-29.1175.7-158.563-147.800111.9A184 E186 Q190 R191 G192 L203 F218A184-E188 PolarHBondContact O-N 3.16Å; E186-E188 PolarHBondContact O-N 3.44Å; E188-Q190 VanDerWaalsContact C-N 3.3Å; E188-Q190 PolarHBondContact O-N 2.94Å; E188-R191 WeakPolarHBondContact O-CB 3.17Å; E188-R191 PolarHBondContact O-N 2.99Å; E188-R191 VanDerWaalsContact O-N 3.15Å; E188-R191 IonicContact OE1-CZ 3.55Å; E188-R191 IonicContact OE1-NE 2.8Å; E188-R191 PolarHBondContact OE1-NE 3.38Å; E188-R191 IonicContact OE1-NH2 3.4Å; E188-R191 PolarHBondContact OE1-NH2 2.88Å; E188-R191 WeakPolarHBondContact OE2-CD 3.25Å; E188-R191 IonicContact OE2-NE 3.31Å; E188-R191 PolarHBondContact OE2-NE 3.12Å; E188-G192 PolarHBondContact O-N 3.17Å; E188-L203 HydrophobicContact CB-CD1 4.03Å; E188-L203 HydrophobicContact CB-CD2 3.9Å; E188-L203 HydrophobicContact CB-CG 4.4Å; E188-L203 HydrophobicContact CG-CD1 3.91Å; E188-L203 HydrophobicContact CG-CD2 4.32Å; E188-L203 HydrophobicContact CG-CG 4.34Å; E188-F218 HydrophobicContact CB-CZ 4.34Å
189F94.3Very high92Very high7 Ų776.6 Ų76.63%0.03140%0.403CS..Hα-helixtrans-62.4-34.9171-171.6-95.1000113.1L185 E186 G192 Q193 W217 F218 R221 R222 W225L185-F189 WeakPolarHBondContact O-CB 3.47Å; L185-F189 PolarHBondContact O-N 3.26Å; E186-F189 WeakPolarHBondContact O-CB 3.35Å; E186-F189 PolarHBondContact O-N 2.99Å; F189-G192 CarbonylContact O-C 3.48Å; F189-G192 PolarHBondContact O-N 2.83Å; F189-Q193 HydrophobicContact CD2-CB 4.42Å; F189-Q193 HydrophobicContact CE1-CG 4.03Å; F189-Q193 HydrophobicContact CE2-CB 3.81Å; F189-Q193 HydrophobicContact CE2-CG 3.92Å; F189-Q193 HydrophobicContact CZ-CB 4.01Å; F189-Q193 HydrophobicContact CZ-CG 3.64Å; F189-W217 HydrophobicContact CB-CH2 4.09Å; F189-W217 HydrophobicContact CB-CZ3 4.04Å; F189-W217 HydrophobicContact CD2-CZ3 4.26Å; F189-W217 HydrophobicContact CG-CZ3 4.4Å; F189-F218 HydrophobicContact CB-CE1 4.01Å; F189-F218 HydrophobicContact CB-CZ 4.44Å; F189-F218 AromaticContact CD2-CD1 3.81Å; F189-F218 HydrophobicContact CD2-CD1 3.81Å; F189-F218 AromaticContact CD2-CE1 3.83Å; F189-F218 HydrophobicContact CD2-CE1 3.83Å; F189-F218 HydrophobicContact CG-CE1 4.43Å; F189-R221 HydrophobicContact CD1-CG 3.86Å; F189-R221 HydrophobicContact CD2-CB 4.12Å; F189-R221 HydrophobicContact CD2-CG 3.47Å; F189-R221 VanDerWaalsContact CD2-CG 3.47Å; F189-R221 HydrophobicContact CE1-CG 3.9Å; F189-R221 HydrophobicContact CE2-CB 4.03Å; F189-R221 HydrophobicContact CE2-CG 3.5Å; F189-R221 VanDerWaalsContact CE2-CG 3.5Å; F189-R221 HydrophobicContact CG-CG 3.67Å; F189-R221 HydrophobicContact CZ-CG 3.73Å; F189-R222 HydrophobicContact CE2-CG 3.73Å; F189-R222 HydrophobicContact CZ-CG 4.22Å; F189-W225 HydrophobicContact CE1-CD2 4.32Å; F189-W225 AromaticContact CE1-CE3 3.96Å; F189-W225 HydrophobicContact CE1-CE3 3.96Å; F189-W225 HydrophobicContact CZ-CB 4.17Å; F189-W225 HydrophobicContact CZ-CG 4.43Å
190Q91.4Very high92.2Very high153 Ų15372.9 Ų72.972%0.71538%0.375SS*.Hα-helixtrans-67.8-35.4172.4-69.8173.33.700112.4E186 K187 E188E186-Q190 WeakPolarHBondContact O-CG 3.49Å; E186-Q190 PolarHBondContact O-N 2.79Å; K187-Q190 PolarHBondContact O-N 3.29Å; E188-Q190 VanDerWaalsContact C-N 3.3Å; E188-Q190 PolarHBondContact O-N 2.94Å
191R88.3Confident92.3Very high191 Ų19170.5 Ų70.572%0.72136%0.362SS*.Hα-helixtrans-70.3-37.8172.1-82.6175.64572.38.8113K187 E188K187-R191 PolarHBondContact O-N 3.13Å; E188-R191 WeakPolarHBondContact O-CB 3.17Å; E188-R191 PolarHBondContact O-N 2.99Å; E188-R191 VanDerWaalsContact O-N 3.15Å; E188-R191 IonicContact OE1-CZ 3.55Å; E188-R191 IonicContact OE1-NE 2.8Å; E188-R191 PolarHBondContact OE1-NE 3.38Å; E188-R191 IonicContact OE1-NH2 3.4Å; E188-R191 PolarHBondContact OE1-NH2 2.88Å; E188-R191 WeakPolarHBondContact OE2-CD 3.25Å; E188-R191 IonicContact OE2-NE 3.31Å; E188-R191 PolarHBondContact OE2-NE 3.12Å
192G88.8Confident92.4Very high30 Ų3075.8 Ų75.831%0.30939%0.385SS..  trans-167.8125.3-178.800000113.4E188 F189 Y194E188-G192 PolarHBondContact O-N 3.17Å; F189-G192 CarbonylContact O-C 3.48Å; F189-G192 PolarHBondContact O-N 2.83Å; G192-Y194 PolarHBondContact O-N 2.77Å
193Q90.4Very high92.3Very high65 Ų6574.8 Ų74.830%0.30437%0.374SS..SBendtrans-73-15-178.2-56.5-168.111.200113.7F189 R222F189-Q193 HydrophobicContact CD2-CB 4.42Å; F189-Q193 HydrophobicContact CE1-CG 4.03Å; F189-Q193 HydrophobicContact CE2-CB 3.81Å; F189-Q193 HydrophobicContact CE2-CG 3.92Å; F189-Q193 HydrophobicContact CZ-CB 4.01Å; F189-Q193 HydrophobicContact CZ-CG 3.64Å; Q193-R222 HydrophobicContact CB-CG 4.25Å; Q193-R222 VanDerWaalsContact O-CD 3.31Å; Q193-R222 WeakPolarHBondContact O-CD 3.43Å; Q193-R222 PolarHBondContact O-NH1 3.23Å
194Y92Very high92.4Very high170 Ų17068.6 Ų68.667%0.66735%0.348SS*.SBendtrans-128.579-178.4-67.7-91.2000110.6G192 R222G192-Y194 PolarHBondContact O-N 2.77Å; Y194-R222 VanDerWaalsContact CE1-CD 3.47Å; Y194-R222 VanDerWaalsContact CE1-CZ 3.47Å
195P90.5Very high92.4Very high23 Ų2370.6 Ų70.615%0.14936%0.364CS..  trans-68.6135.4175.329.4-36.4000111A199 R200 F218P195-A199 HydrophobicContact CB-CB 3.86Å; P195-R200 HydrophobicContact CB-CG 3.92Å; P195-R200 HydrophobicContact CG-CG 3.72Å; P195-F218 HydrophobicContact CG-CD1 3.54Å; P195-F218 HydrophobicContact CG-CD2 3.94Å; P195-F218 HydrophobicContact CG-CE1 3.58Å; P195-F218 HydrophobicContact CG-CE2 4.03Å; P195-F218 HydrophobicContact CG-CG 3.73Å; P195-F218 HydrophobicContact CG-CZ 3.85Å
196D92.1Very high92.3Very high102 Ų10274.5 Ų74.555%0.54540%0.397SS..  trans-67.7-177.1174.367.748.1000112.4V198 A199 R200D196-V198 PolarHBondContact O-N 2.89Å; D196-V198 WeakPolarHBondContact OD1-CA 3.44Å; D196-V198 WeakPolarHBondContact OD1-CB 3.24Å; D196-V198 PolarHBondContact OD1-N 3.09Å; D196-A199 PolarHBondContact OD1-N 2.87Å; D196-R200 WeakPolarHBondContact O-CB 3.16Å; D196-R200 VanDerWaalsContact O-CG 3.24Å; D196-R200 WeakPolarHBondContact O-CG 3.48Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 PolarHBondContact O-NE 3.12Å
197S91.4Very high92.1Very high69 Ų6972.8 Ų72.848%0.48339%0.389SS..Hα-helixtrans-66.6-34.9-179.1-139.50000113.8R200 G201S197-R200 PolarHBondContact OG-NH2 2.8Å; S197-G201 PolarHBondContact O-N 3.13Å
198V92.2Very high92.1Very high95 Ų9571.1 Ų71.158%0.57640%0.395SS*.Hα-helixtrans-74.3-42.7-179-1790000110.2D196 G201 K202D196-V198 PolarHBondContact O-N 2.89Å; D196-V198 WeakPolarHBondContact OD1-CA 3.44Å; D196-V198 WeakPolarHBondContact OD1-CB 3.24Å; D196-V198 PolarHBondContact OD1-N 3.09Å; V198-G201 PolarHBondContact O-N 3.1Å; V198-K202 HydrophobicContact CG1-CD 4.46Å; V198-K202 WeakPolarHBondContact O-CG 3.47Å; V198-K202 PolarHBondContact O-N 3.36Å
199A90.8Very high91.9Very high23 Ų2369.5 Ų69.519%0.1939%0.388CS..Hα-helixtrans-62-42.7173.500000111.7P195 D196 K202 L203P195-A199 HydrophobicContact CB-CB 3.86Å; D196-A199 PolarHBondContact OD1-N 2.87Å; A199-K202 PolarHBondContact O-N 2.82Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 WeakPolarHBondContact O-CG 3.47Å; A199-L203 PolarHBondContact O-N 3.38Å
200R94.1Very high91.9Very high33 Ų3373 Ų7313%0.12541%0.412CS..Hα-helixtrans-64.3-39173.8-71.5-177.7-55.7103.17.5112.3P195 D196 S197 L203 A204 E211 V214P195-R200 HydrophobicContact CB-CG 3.92Å; P195-R200 HydrophobicContact CG-CG 3.72Å; D196-R200 WeakPolarHBondContact O-CB 3.16Å; D196-R200 VanDerWaalsContact O-CG 3.24Å; D196-R200 WeakPolarHBondContact O-CG 3.48Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 PolarHBondContact O-NE 3.12Å; S197-R200 PolarHBondContact OG-NH2 2.8Å; R200-L203 PolarHBondContact O-N 3.46Å; R200-A204 VanDerWaalsContact O-CB 3.28Å; R200-A204 WeakPolarHBondContact O-CB 3.47Å; R200-A204 PolarHBondContact O-N 2.66Å; R200-E211 HydrophobicContact CB-CG 4.01Å; R200-E211 IonicContact CZ-OE1 3.28Å; R200-E211 VanDerWaalsContact CZ-OE1 3.28Å; R200-E211 IonicContact NH1-OE1 2.75Å; R200-E211 PolarHBondContact NH1-OE1 3.31Å; R200-E211 IonicContact NH2-OE1 2.71Å; R200-E211 PolarHBondContact NH2-OE1 3.5Å; R200-V214 HydrophobicContact CB-CG1 4.46Å; R200-V214 HydrophobicContact CG-CG1 4.3Å
201G92.6Very high91.9Very high28 Ų2869 Ų6929%0.28939%0.393SS..Hα-helixtrans-63.1-45.3173.600000113.2S197 V198 L203 A204 A205S197-G201 PolarHBondContact O-N 3.13Å; V198-G201 PolarHBondContact O-N 3.1Å; G201-L203 PolarHBondContact O-N 3.39Å; G201-A204 WeakPolarHBondContact O-CB 3.34Å; G201-A204 PolarHBondContact O-N 3.38Å; G201-A205 PolarHBondContact O-N 3.36Å
202K93.2Very high92Very high150 Ų15064.2 Ų64.265%0.65238%0.382SS*.Hα-helixtrans-61.2-43.1175-72.9176.6179.5-1800112.2V198 A199 A206V198-K202 HydrophobicContact CG1-CD 4.46Å; V198-K202 WeakPolarHBondContact O-CG 3.47Å; V198-K202 PolarHBondContact O-N 3.36Å; A199-K202 PolarHBondContact O-N 2.82Å; K202-A206 WeakPolarHBondContact O-CB 3.49Å; K202-A206 PolarHBondContact O-N 3.17Å
203L93.1Very high92.2Very high15 Ų1564.2 Ų64.28%0.07938%0.376CS..Hα-helixtrans-63.8-42.9174.3-81.4168.4000112.7L185 E188 A199 R200 G201 A205 A206 T207 V214 F218L185-L203 HydrophobicContact CD2-CD2 4.48Å; E188-L203 HydrophobicContact CB-CD1 4.03Å; E188-L203 HydrophobicContact CB-CD2 3.9Å; E188-L203 HydrophobicContact CB-CG 4.4Å; E188-L203 HydrophobicContact CG-CD1 3.91Å; E188-L203 HydrophobicContact CG-CD2 4.32Å; E188-L203 HydrophobicContact CG-CG 4.34Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 WeakPolarHBondContact O-CG 3.47Å; A199-L203 PolarHBondContact O-N 3.38Å; R200-L203 PolarHBondContact O-N 3.46Å; G201-L203 PolarHBondContact O-N 3.39Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 2.88Å; L203-A206 PolarHBondContact O-N 3.21Å; L203-T207 WeakPolarHBondContact O-CB 3.38Å; L203-T207 WeakPolarHBondContact O-CG2 3.44Å; L203-T207 PolarHBondContact O-N 3.36Å; L203-T207 PolarHBondContact O-OG1 3.32Å; L203-V214 HydrophobicContact CB-CG1 4.1Å; L203-V214 HydrophobicContact CD1-CG1 4.16Å; L203-F218 HydrophobicContact CD1-CE2 3.65Å; L203-F218 HydrophobicContact CD1-CZ 3.84Å
204A95.1Very high92.3Very high12 Ų1261.1 Ų61.110%0.09936%0.361CS..Hα-helixtrans-58.1-47.2177.400000111.2R200 G201 S208 L209 E211 V214R200-A204 VanDerWaalsContact O-CB 3.28Å; R200-A204 WeakPolarHBondContact O-CB 3.47Å; R200-A204 PolarHBondContact O-N 2.66Å; G201-A204 WeakPolarHBondContact O-CB 3.34Å; G201-A204 PolarHBondContact O-N 3.38Å; A204-S208 WeakPolarHBondContact O-CA 3.46Å; A204-S208 PolarHBondContact O-N 2.85Å; A204-L209 CarbonylContact C-O 3.52Å; A204-L209 VanDerWaalsContact CA-O 3.27Å; A204-L209 WeakPolarHBondContact CA-O 3.19Å; A204-L209 WeakPolarHBondContact CB-O 3.49Å; A204-L209 PolarHBondContact O-N 3.43Å; A204-L209 VanDerWaalsContact O-N 3.07Å; A204-E211 HydrophobicContact CB-CB 4.29Å; A204-V214 HydrophobicContact CB-CG2 4.2Å
205A92.6Very high92.3Very high79 Ų7957.6 Ų57.665%0.65335%0.347SS*.Hα-helixtrans-62.5-49.5174.200000112.4G201 L203 T207 S208G201-A205 PolarHBondContact O-N 3.36Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 2.88Å; A205-T207 VanDerWaalsContact C-N 3.29Å; A205-T207 PolarHBondContact O-N 2.78Å; A205-S208 PolarHBondContact O-N 3.15Å
206A91.5Very high92.5Very high83 Ų8360.2 Ų60.269%0.68636%0.362SS*.Hα-helixtrans-66.3-26.8-177.500000114.1K202 L203K202-A206 WeakPolarHBondContact O-CB 3.49Å; K202-A206 PolarHBondContact O-N 3.17Å; L203-A206 PolarHBondContact O-N 3.21Å
207T92.1Very high92.6Very high7 Ų756.9 Ų56.94%0.04334%0.342CS..Hα-helixtrans-101.2-5.1-179.857.90000113.8Q181 A184 L185 L203 A205 L209Q181-T207 WeakPolarHBondContact CG-O 3.39Å; Q181-T207 PolarHBondContact NE2-O 3.13Å; A184-T207 HydrophobicContact CB-CG2 3.86Å; L185-T207 HydrophobicContact CG-CG2 4.34Å; L203-T207 WeakPolarHBondContact O-CB 3.38Å; L203-T207 WeakPolarHBondContact O-CG2 3.44Å; L203-T207 PolarHBondContact O-N 3.36Å; L203-T207 PolarHBondContact O-OG1 3.32Å; A205-T207 VanDerWaalsContact C-N 3.29Å; A205-T207 PolarHBondContact O-N 2.78Å; T207-L209 VanDerWaalsContact C-N 3.27Å; T207-L209 PolarHBondContact O-N 3.37Å; T207-L209 WeakPolarHBondContact OG1-CD1 3.39Å
208S92.6Very high92.8Very high108 Ų10853.7 Ų53.776%0.75532%0.32SS*.THydrogen-bonded Turntrans5343.4-170.1-570000112.8A204 A205A204-S208 WeakPolarHBondContact O-CA 3.46Å; A204-S208 PolarHBondContact O-N 2.85Å; A205-S208 PolarHBondContact O-N 3.15Å
209L91.8Very high92.8Very high16 Ų1652.2 Ų52.28%0.08431%0.313CS..  trans-121.5144.9179.2-64.9173.4000110.5T175 F177 Q181 L185 A204 T207 V214T175-L209 HydrophobicContact CG2-CD2 4.28Å; F177-L209 HydrophobicContact CD1-CD1 3.69Å; F177-L209 HydrophobicContact CD1-CD2 4.18Å; F177-L209 HydrophobicContact CE1-CD1 3.7Å; F177-L209 HydrophobicContact CE1-CD2 4.17Å; Q181-L209 HydrophobicContact CB-CD1 4.45Å; L185-L209 HydrophobicContact CD1-CD1 3.97Å; A204-L209 CarbonylContact C-O 3.52Å; A204-L209 VanDerWaalsContact CA-O 3.27Å; A204-L209 WeakPolarHBondContact CA-O 3.19Å; A204-L209 WeakPolarHBondContact CB-O 3.49Å; A204-L209 PolarHBondContact O-N 3.43Å; A204-L209 VanDerWaalsContact O-N 3.07Å; T207-L209 VanDerWaalsContact C-N 3.27Å; T207-L209 PolarHBondContact O-N 3.37Å; T207-L209 WeakPolarHBondContact OG1-CD1 3.39Å; L209-V214 HydrophobicContact CB-CG2 4.22Å
210P92.6Very high92.9Very high82 Ų8256 Ų5653%0.53233%0.331SS..  trans-57143.1171.5-24.133.7000112.2D212 T213 V214P210-D212 PolarHBondContact O-N 2.94Å; P210-T213 WeakPolarHBondContact O-CA 3.45Å; P210-T213 VanDerWaalsContact O-CB 3.28Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 3.15Å; P210-V214 PolarHBondContact O-N 3.18Å
211E92.6Very high92.9Very high67 Ų6756.7 Ų56.731%0.31333%0.333SS..Hα-helixtrans-57.9-33.2178.9-163.5-156.7114.500112.2R200 A204 V214 R215R200-E211 HydrophobicContact CB-CG 4.01Å; R200-E211 IonicContact CZ-OE1 3.28Å; R200-E211 VanDerWaalsContact CZ-OE1 3.28Å; R200-E211 IonicContact NH1-OE1 2.75Å; R200-E211 PolarHBondContact NH1-OE1 3.31Å; R200-E211 IonicContact NH2-OE1 2.71Å; R200-E211 PolarHBondContact NH2-OE1 3.5Å; A204-E211 HydrophobicContact CB-CB 4.29Å; E211-V214 PolarHBondContact O-N 3.36Å; E211-R215 WeakPolarHBondContact O-CB 3.23Å; E211-R215 PolarHBondContact O-N 3.49Å; E211-R215 IonicContact OE1-NH2 3.36Å; E211-R215 PolarHBondContact OE1-NH2 2.88Å
212D90.5Very high92.9Very high92 Ų9257.6 Ų57.649%0.49233%0.328SS..Hα-helixtrans-60.5-43.5170.9-101.5-95.2000112.7P210 V214 R215 V216P210-D212 PolarHBondContact O-N 2.94Å; D212-V214 VanDerWaalsContact C-N 3.34Å; D212-V214 PolarHBondContact O-N 2.94Å; D212-R215 PolarHBondContact O-N 3.22Å; D212-R215 IonicContact OD1-CZ 2.67Å; D212-R215 IonicContact OD1-NH1 3.23Å; D212-R215 PolarHBondContact OD1-NH1 2.92Å; D212-R215 IonicContact OD1-NH2 3.05Å; D212-R215 IonicContact OD2-CZ 2.93Å; D212-R215 VanDerWaalsContact OD2-CZ 3.27Å; D212-R215 IonicContact OD2-NH1 3.49Å; D212-R215 PolarHBondContact OD2-NH1 3.11Å; D212-R215 IonicContact OD2-NH2 3.23Å; D212-R215 PolarHBondContact OD2-NH2 3.2Å; D212-V216 WeakPolarHBondContact O-CB 3.45Å; D212-V216 VanDerWaalsContact O-CG2 3.3Å; D212-V216 WeakPolarHBondContact O-CG2 3.3Å; D212-V216 PolarHBondContact O-N 3.43Å
213T92Very high92.7Very high29 Ų2951.2 Ų51.218%0.17830%0.303CS..Hα-helixtrans-63.6-41.4176-55.90000110.8T175 F177 P210 W217T175-T213 HydrophobicContact CG2-CG2 4.21Å; F177-T213 HydrophobicContact CE1-CG2 3.64Å; F177-T213 HydrophobicContact CZ-CG2 3.84Å; P210-T213 WeakPolarHBondContact O-CA 3.45Å; P210-T213 VanDerWaalsContact O-CB 3.28Å; P210-T213 WeakPolarHBondContact O-CB 3.45Å; P210-T213 PolarHBondContact O-N 3.15Å; T213-W217 VanDerWaalsContact O-CB 3.32Å; T213-W217 WeakPolarHBondContact O-CB 3.38Å; T213-W217 PolarHBondContact O-N 3.4Å
214V92.6Very high92.5Very high0 Ų055.7 Ų55.70%032%0.322CS..Hα-helixtrans-62.8-47173.4-179.90000110.6L185 R200 L203 A204 L209 P210 E211 D212 V216 W217 F218L185-V214 HydrophobicContact CD2-CG1 3.99Å; L185-V214 HydrophobicContact CD2-CG2 4.32Å; R200-V214 HydrophobicContact CB-CG1 4.46Å; R200-V214 HydrophobicContact CG-CG1 4.3Å; L203-V214 HydrophobicContact CB-CG1 4.1Å; L203-V214 HydrophobicContact CD1-CG1 4.16Å; A204-V214 HydrophobicContact CB-CG2 4.2Å; L209-V214 HydrophobicContact CB-CG2 4.22Å; P210-V214 PolarHBondContact O-N 3.18Å; E211-V214 PolarHBondContact O-N 3.36Å; D212-V214 VanDerWaalsContact C-N 3.34Å; D212-V214 PolarHBondContact O-N 2.94Å; V214-V216 PolarHBondContact O-N 2.94Å; V214-W217 WeakPolarHBondContact O-CB 3.4Å; V214-W217 PolarHBondContact O-N 3.06Å; V214-W217 VanDerWaalsContact O-N 3.17Å; V214-F218 HydrophobicContact CG1-CD2 3.86Å; V214-F218 HydrophobicContact CG1-CE2 3.95Å; V214-F218 WeakPolarHBondContact O-CD2 3.44Å; V214-F218 PolarHBondContact O-N 3.21Å
215R93.3Very high92.2Very high97 Ų9759.1 Ų59.137%0.36633%0.332SS..Hα-helixtrans-58.6-45178.3-159-170.3-48.4115.18.8112E211 D212 S219E211-R215 WeakPolarHBondContact O-CB 3.23Å; E211-R215 PolarHBondContact O-N 3.49Å; E211-R215 IonicContact OE1-NH2 3.36Å; E211-R215 PolarHBondContact OE1-NH2 2.88Å; D212-R215 PolarHBondContact O-N 3.22Å; D212-R215 IonicContact OD1-CZ 2.67Å; D212-R215 IonicContact OD1-NH1 3.23Å; D212-R215 PolarHBondContact OD1-NH1 2.92Å; D212-R215 IonicContact OD1-NH2 3.05Å; D212-R215 IonicContact OD2-CZ 2.93Å; D212-R215 VanDerWaalsContact OD2-CZ 3.27Å; D212-R215 IonicContact OD2-NH1 3.49Å; D212-R215 PolarHBondContact OD2-NH1 3.11Å; D212-R215 IonicContact OD2-NH2 3.23Å; D212-R215 PolarHBondContact OD2-NH2 3.2Å; R215-S219 PolarHBondContact O-N 2.98Å; R215-S219 VanDerWaalsContact O-N 3.08Å
216V92.8Very high91.9Very high78 Ų7863.1 Ų63.147%0.47333%0.33SS..Hα-helixtrans-66.7-40.21761700000111.4D212 V214 S219 N220D212-V216 WeakPolarHBondContact O-CB 3.45Å; D212-V216 VanDerWaalsContact O-CG2 3.3Å; D212-V216 WeakPolarHBondContact O-CG2 3.3Å; D212-V216 PolarHBondContact O-N 3.43Å; V214-V216 PolarHBondContact O-N 2.94Å; V216-S219 PolarHBondContact O-N 3.38Å; V216-N220 WeakPolarHBondContact CG1-ND2 3.46Å; V216-N220 WeakPolarHBondContact O-CB 3.21Å; V216-N220 PolarHBondContact O-N 3.2Å; V216-N220 PolarHBondContact O-ND2 3.42Å
217W94.6Very high91.5Very high32 Ų3263.4 Ų63.412%0.12131%0.314CS..Hα-helixtrans-59.4-49.7175.1-174.2102.7000111.2F177 L185 E186 F189 T213 V214 S219 N220 R221F177-W217 AromaticContact CE2-CD1 3.6Å; F177-W217 AromaticContact CZ-CD1 3.79Å; L185-W217 VanDerWaalsContact C-CH2 3.47Å; L185-W217 HydrophobicContact CB-CD2 3.9Å; L185-W217 HydrophobicContact CB-CE3 3.94Å; L185-W217 HydrophobicContact CB-CH2 3.74Å; L185-W217 HydrophobicContact CB-CZ2 3.64Å; L185-W217 HydrophobicContact CB-CZ3 3.87Å; L185-W217 HydrophobicContact CD1-CD2 3.97Å; L185-W217 HydrophobicContact CD1-CG 3.88Å; L185-W217 HydrophobicContact CD2-CD2 4.49Å; L185-W217 HydrophobicContact CD2-CE3 4.41Å; L185-W217 HydrophobicContact CG-CD2 4.35Å; L185-W217 WeakPolarHBondContact O-CH2 3.4Å; L185-W217 WeakPolarHBondContact O-CZ3 3.38Å; E186-W217 HydrophobicContact CB-CH2 4.49Å; F189-W217 HydrophobicContact CB-CH2 4.09Å; F189-W217 HydrophobicContact CB-CZ3 4.04Å; F189-W217 HydrophobicContact CD2-CZ3 4.26Å; F189-W217 HydrophobicContact CG-CZ3 4.4Å; T213-W217 VanDerWaalsContact O-CB 3.32Å; T213-W217 WeakPolarHBondContact O-CB 3.38Å; T213-W217 PolarHBondContact O-N 3.4Å; V214-W217 WeakPolarHBondContact O-CB 3.4Å; V214-W217 PolarHBondContact O-N 3.06Å; V214-W217 VanDerWaalsContact O-N 3.17Å; W217-S219 VanDerWaalsContact C-N 3.34Å; W217-S219 PolarHBondContact O-N 2.92Å; W217-N220 PolarHBondContact O-N 3.12Å; W217-R221 HydrophobicContact CD2-CB 4.42Å; W217-R221 HydrophobicContact CE3-CB 3.98Å; W217-R221 HydrophobicContact CE3-CG 4.49Å; W217-R221 HydrophobicContact CH2-CB 3.97Å; W217-R221 HydrophobicContact CH2-CG 3.62Å; W217-R221 HydrophobicContact CZ2-CB 4.43Å; W217-R221 HydrophobicContact CZ2-CG 4.28Å; W217-R221 HydrophobicContact CZ3-CB 3.74Å; W217-R221 HydrophobicContact CZ3-CG 3.76Å; W217-R221 WeakPolarHBondContact O-CB 3.4Å; W217-R221 PolarHBondContact O-N 3.33Å
218F95.2Very high91Very high2 Ų266.3 Ų66.31%0.00933%0.327CS..Hα-helixtrans-63.2-38.1179-89.5-92.8000112.5L185 E188 F189 P195 L203 V214 R221 R222L185-F218 HydrophobicContact CD2-CE2 3.96Å; E188-F218 HydrophobicContact CB-CZ 4.34Å; F189-F218 HydrophobicContact CB-CE1 4.01Å; F189-F218 HydrophobicContact CB-CZ 4.44Å; F189-F218 AromaticContact CD2-CD1 3.81Å; F189-F218 HydrophobicContact CD2-CD1 3.81Å; F189-F218 AromaticContact CD2-CE1 3.83Å; F189-F218 HydrophobicContact CD2-CE1 3.83Å; F189-F218 HydrophobicContact CG-CE1 4.43Å; P195-F218 HydrophobicContact CG-CD1 3.54Å; P195-F218 HydrophobicContact CG-CD2 3.94Å; P195-F218 HydrophobicContact CG-CE1 3.58Å; P195-F218 HydrophobicContact CG-CE2 4.03Å; P195-F218 HydrophobicContact CG-CG 3.73Å; P195-F218 HydrophobicContact CG-CZ 3.85Å; L203-F218 HydrophobicContact CD1-CE2 3.65Å; L203-F218 HydrophobicContact CD1-CZ 3.84Å; V214-F218 HydrophobicContact CG1-CD2 3.86Å; V214-F218 HydrophobicContact CG1-CE2 3.95Å; V214-F218 WeakPolarHBondContact O-CD2 3.44Å; V214-F218 PolarHBondContact O-N 3.21Å; F218-R221 PolarHBondContact O-N 3.45Å; F218-R222 WeakPolarHBondContact O-CG 3.29Å; F218-R222 PolarHBondContact O-N 3.35Å
219S92.3Very high90.2Very high63 Ų6364.2 Ų64.244%0.44131%0.305SS..Hα-helixtrans-60.8-49.1172.9-170.90000112R215 V216 W217 R221 R222 A223R215-S219 PolarHBondContact O-N 2.98Å; R215-S219 VanDerWaalsContact O-N 3.08Å; V216-S219 PolarHBondContact O-N 3.38Å; W217-S219 VanDerWaalsContact C-N 3.34Å; W217-S219 PolarHBondContact O-N 2.92Å; S219-R221 PolarHBondContact O-N 3.07Å; S219-R222 PolarHBondContact O-N 3.48Å; S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.05Å
220N93.9Very high89.3Confident104 Ų10468.2 Ų68.256%0.55632%0.322SS*.Hα-helixtrans-64.2-38177.2-74.2-31.9000112.4V216 W217 A223 K224V216-N220 WeakPolarHBondContact CG1-ND2 3.46Å; V216-N220 WeakPolarHBondContact O-CB 3.21Å; V216-N220 PolarHBondContact O-N 3.2Å; V216-N220 PolarHBondContact O-ND2 3.42Å; W217-N220 PolarHBondContact O-N 3.12Å; N220-A223 PolarHBondContact O-N 3Å; N220-K224 PolarHBondContact O-N 3.05Å
221R94.2Very high88.3Confident46 Ų4668.8 Ų68.817%0.17432%0.32CS..Hα-helixtrans-65.7-48.2177.8-175.169-162.8175.43.5111.3E186 F189 W217 F218 S219 A223 K224 W225E186-R221 IonicContact OE1-CZ 2.73Å; E186-R221 IonicContact OE1-NE 3.44Å; E186-R221 PolarHBondContact OE1-NE 2.97Å; E186-R221 IonicContact OE1-NH1 3.78Å; E186-R221 IonicContact OE1-NH2 3.97Å; E186-R221 PolarHBondContact OE1-NH2 2.91Å; E186-R221 IonicContact OE2-CZ 3.27Å; E186-R221 IonicContact OE2-NE 3.64Å; E186-R221 PolarHBondContact OE2-NE 3.46Å; E186-R221 IonicContact OE2-NH1 2.87Å; E186-R221 PolarHBondContact OE2-NH1 3.12Å; E186-R221 IonicContact OE2-NH2 3.75Å; E186-R221 PolarHBondContact OE2-NH2 3.42Å; F189-R221 HydrophobicContact CD1-CG 3.86Å; F189-R221 HydrophobicContact CD2-CB 4.12Å; F189-R221 HydrophobicContact CD2-CG 3.47Å; F189-R221 VanDerWaalsContact CD2-CG 3.47Å; F189-R221 HydrophobicContact CE1-CG 3.9Å; F189-R221 HydrophobicContact CE2-CB 4.03Å; F189-R221 HydrophobicContact CE2-CG 3.5Å; F189-R221 VanDerWaalsContact CE2-CG 3.5Å; F189-R221 HydrophobicContact CG-CG 3.67Å; F189-R221 HydrophobicContact CZ-CG 3.73Å; W217-R221 HydrophobicContact CD2-CB 4.42Å; W217-R221 HydrophobicContact CE3-CB 3.98Å; W217-R221 HydrophobicContact CE3-CG 4.49Å; W217-R221 HydrophobicContact CH2-CB 3.97Å; W217-R221 HydrophobicContact CH2-CG 3.62Å; W217-R221 HydrophobicContact CZ2-CB 4.43Å; W217-R221 HydrophobicContact CZ2-CG 4.28Å; W217-R221 HydrophobicContact CZ3-CB 3.74Å; W217-R221 HydrophobicContact CZ3-CG 3.76Å; W217-R221 WeakPolarHBondContact O-CB 3.4Å; W217-R221 PolarHBondContact O-N 3.33Å; F218-R221 PolarHBondContact O-N 3.45Å; S219-R221 PolarHBondContact O-N 3.07Å; R221-A223 VanDerWaalsContact C-N 3.29Å; R221-A223 PolarHBondContact O-N 2.95Å; R221-K224 CarbonylContact O-C 3.59Å; R221-K224 WeakPolarHBondContact O-CB 3.43Å; R221-K224 PolarHBondContact O-N 3.07Å; R221-W225 PolarHBondContact O-N 3.11Å
222R92.8Very high87.4Confident48 Ų4870.6 Ų70.618%0.18133%0.327CS..Hα-helixtrans-58.7-39172.1-72.8-165.8-61.2-86.52.1112.5F189 Q193 Y194 F218 S219 K224 W225 R226F189-R222 HydrophobicContact CE2-CG 3.73Å; F189-R222 HydrophobicContact CZ-CG 4.22Å; Q193-R222 HydrophobicContact CB-CG 4.25Å; Q193-R222 VanDerWaalsContact O-CD 3.31Å; Q193-R222 WeakPolarHBondContact O-CD 3.43Å; Q193-R222 PolarHBondContact O-NH1 3.23Å; Y194-R222 VanDerWaalsContact CE1-CD 3.47Å; Y194-R222 VanDerWaalsContact CE1-CZ 3.47Å; F218-R222 WeakPolarHBondContact O-CG 3.29Å; F218-R222 PolarHBondContact O-N 3.35Å; S219-R222 PolarHBondContact O-N 3.48Å; R222-K224 VanDerWaalsContact C-N 3.34Å; R222-W225 PolarHBondContact O-N 3.38Å; R222-R226 PolarHBondContact O-N 2.87Å
223A88.1Confident85.8Confident16 Ų1674.9 Ų74.913%0.13234%0.336CS..Hα-helixtrans-65.4-35.6174.700000112.5S219 N220 R221 R227S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.05Å; N220-A223 PolarHBondContact O-N 3Å; R221-A223 VanDerWaalsContact C-N 3.29Å; R221-A223 PolarHBondContact O-N 2.95Å; A223-R227 WeakPolarHBondContact O-CG 3.43Å; A223-R227 PolarHBondContact O-N 2.96Å; A223-R227 PolarHBondContact O-NH1 3.46Å
224K88.9Confident84.4Confident109 Ų10978 Ų7847%0.47435%0.349SS..Hα-helixtrans-70.9-38.5172.4-163.3-164.9172.9-173.40111.8N220 R221 R222 R227 Q228N220-K224 PolarHBondContact O-N 3.05Å; R221-K224 CarbonylContact O-C 3.59Å; R221-K224 WeakPolarHBondContact O-CB 3.43Å; R221-K224 PolarHBondContact O-N 3.07Å; R222-K224 VanDerWaalsContact C-N 3.34Å; K224-R227 PolarHBondContact O-N 3.44Å; K224-Q228 PolarHBondContact O-N 2.87Å; K224-Q228 VanDerWaalsContact O-N 3.12Å; K224-Q228 PolarHBondContact O-NE2 2.87Å
225W89.6Confident82.7Confident84 Ų8485.9 Ų85.932%0.31839%0.388SS..Hα-helixtrans-58-55.5175.9-176.8-92.7000111.2F189 R221 R222 R227 Q228 E229F189-W225 HydrophobicContact CE1-CD2 4.32Å; F189-W225 AromaticContact CE1-CE3 3.96Å; F189-W225 HydrophobicContact CE1-CE3 3.96Å; F189-W225 HydrophobicContact CZ-CB 4.17Å; F189-W225 HydrophobicContact CZ-CG 4.43Å; R221-W225 PolarHBondContact O-N 3.11Å; R222-W225 PolarHBondContact O-N 3.38Å; W225-R227 PolarHBondContact O-N 3.42Å; W225-R227 VanDerWaalsContact O-N 3.14Å; W225-Q228 WeakPolarHBondContact O-CB 3.47Å; W225-Q228 PolarHBondContact O-N 2.86Å; W225-E229 HydrophobicContact CZ2-CG 4.46Å; W225-E229 PolarHBondContact O-N 3.22Å
226R85.2Confident80.7Confident162 Ų16288.5 Ų88.561%0.61140%0.404SS*.Hα-helixtrans-56.9-32.1179-71.6-174.8-72104.6-7.8114.2R222 K230R222-R226 PolarHBondContact O-N 2.87Å; R226-K230 WeakPolarHBondContact O-CB 3.32Å; R226-K230 PolarHBondContact O-N 2.68Å; R226-K230 VanDerWaalsContact O-N 3.16Å
227R84Confident78.5Confident90 Ų9090.2 Ų90.234%0.3441%0.41SS..Hα-helixtrans-71.8-40.2173.7-69-176.2-162.798.8-4.5112.6A223 K224 W225 K230 L231A223-R227 WeakPolarHBondContact O-CG 3.43Å; A223-R227 PolarHBondContact O-N 2.96Å; A223-R227 PolarHBondContact O-NH1 3.46Å; K224-R227 PolarHBondContact O-N 3.44Å; W225-R227 PolarHBondContact O-N 3.42Å; W225-R227 VanDerWaalsContact O-N 3.14Å; R227-K230 PolarHBondContact O-N 3.45Å; R227-L231 WeakPolarHBondContact O-CB 3.39Å; R227-L231 VanDerWaalsContact O-CG 3.31Å; R227-L231 WeakPolarHBondContact O-CG 3.48Å; R227-L231 PolarHBondContact O-N 3.24Å
228Q81.3Confident76.3Confident67 Ų6794.8 Ų94.831%0.31344%0.444SS..Hα-helixtrans-65-44.1176.8-74.9164.5102.400111.1K224 W225 K230 L231 K232K224-Q228 PolarHBondContact O-N 2.87Å; K224-Q228 VanDerWaalsContact O-N 3.12Å; K224-Q228 PolarHBondContact O-NE2 2.87Å; W225-Q228 WeakPolarHBondContact O-CB 3.47Å; W225-Q228 PolarHBondContact O-N 2.86Å; Q228-K230 PolarHBondContact O-N 3.18Å; Q228-L231 PolarHBondContact O-N 2.62Å; Q228-K232 WeakPolarHBondContact O-CG 3.35Å; Q228-K232 PolarHBondContact O-N 3.5Å
229E76.7Confident74Confident64 Ų6498 Ų9830%0.29948%0.477SS..Hα-helixtrans-62.9-42.8177-62.6-57.495.800111.7W225 L231 K232 W233W225-E229 HydrophobicContact CZ2-CG 4.46Å; W225-E229 PolarHBondContact O-N 3.22Å; E229-L231 PolarHBondContact O-N 3.01Å; E229-K232 PolarHBondContact O-N 2.89Å; E229-K232 WeakPolarHBondContact OE1-CD 3.35Å; E229-K232 WeakPolarHBondContact OE1-CE 3.39Å; E229-K232 IonicContact OE1-NZ 2.8Å; E229-K232 PolarHBondContact OE1-NZ 3.44Å; E229-W233 WeakPolarHBondContact O-CB 3.34Å; E229-W233 PolarHBondContact O-N 2.85Å
230K71.7Confident71.3Confident100 Ų10099.6 Ų99.644%0.43549%0.494SS..Hα-helixtrans-60.1-44.9174.2-177.8170.9177.9171.10112.4R226 R227 Q228 W233 E234R226-K230 WeakPolarHBondContact O-CB 3.32Å; R226-K230 PolarHBondContact O-N 2.68Å; R226-K230 VanDerWaalsContact O-N 3.16Å; R227-K230 PolarHBondContact O-N 3.45Å; Q228-K230 PolarHBondContact O-N 3.18Å; K230-W233 PolarHBondContact O-N 3.29Å; K230-E234 WeakPolarHBondContact CE-OE1 3.26Å; K230-E234 HydrophobicContact CG-CG 4.38Å; K230-E234 IonicContact NZ-OE1 2.62Å; K230-E234 WeakPolarHBondContact O-CB 3.12Å; K230-E234 WeakPolarHBondContact O-CG 3.3Å; K230-E234 PolarHBondContact O-N 3.04Å
231L71.9Confident68.6Low95 Ų95100.5 Ų100.550%0.49751%0.509SS..Hα-helixtrans-66.6-39.6178.4-72.5169.1000112.4R227 Q228 E229 W233 E234 M235R227-L231 WeakPolarHBondContact O-CB 3.39Å; R227-L231 VanDerWaalsContact O-CG 3.31Å; R227-L231 WeakPolarHBondContact O-CG 3.48Å; R227-L231 PolarHBondContact O-N 3.24Å; Q228-L231 PolarHBondContact O-N 2.62Å; E229-L231 PolarHBondContact O-N 3.01Å; L231-W233 VanDerWaalsContact C-N 3.35Å; L231-E234 PolarHBondContact O-N 3.22Å; L231-M235 WeakPolarHBondContact O-CB 3.34Å; L231-M235 VanDerWaalsContact O-CG 3.27Å; L231-M235 WeakPolarHBondContact O-CG 3.45Å; L231-M235 PolarHBondContact O-N 3.45Å
232K73.3Confident66.1Low105 Ų105107.8 Ų107.846%0.45755%0.545SS..Hα-helixtrans-58.7-47.9171.6-72.6174.8-173.1170.20110.6Q228 E229 M235 Q236Q228-K232 WeakPolarHBondContact O-CG 3.35Å; Q228-K232 PolarHBondContact O-N 3.5Å; E229-K232 PolarHBondContact O-N 2.89Å; E229-K232 WeakPolarHBondContact OE1-CD 3.35Å; E229-K232 WeakPolarHBondContact OE1-CE 3.39Å; E229-K232 IonicContact OE1-NZ 2.8Å; E229-K232 PolarHBondContact OE1-NZ 3.44Å; K232-M235 CarbonylContact O-C 3.6Å; K232-M235 PolarHBondContact O-N 2.82Å; K232-M235 VanDerWaalsContact O-N 3.08Å; K232-Q236 WeakPolarHBondContact O-CB 3.44Å; K232-Q236 PolarHBondContact O-N 2.87Å
233W58.4Low63.2Low182 Ų182109.1 Ų109.169%0.68957%0.573SS**Hα-helixtrans-65-40.2-179.7-140.4-90.4000112.6E229 K230 L231 M235 Q236E229-W233 WeakPolarHBondContact O-CB 3.34Å; E229-W233 PolarHBondContact O-N 2.85Å; K230-W233 PolarHBondContact O-N 3.29Å; L231-W233 VanDerWaalsContact C-N 3.35Å; W233-M235 PolarHBondContact O-N 3.22Å; W233-Q236 PolarHBondContact O-N 3.12Å
234E61.7Low60.8Low95 Ų95115.8 Ų115.844%0.44461%0.606SS.*Hα-helixtrans-64.3-23.9172.4-75176.5161.700112.4R105 K230 L231R105-E234 IonicContact NH1-OE1 2.74Å; R105-E234 PolarHBondContact NH1-OE1 3.12Å; K230-E234 WeakPolarHBondContact CE-OE1 3.26Å; K230-E234 HydrophobicContact CG-CG 4.38Å; K230-E234 IonicContact NZ-OE1 2.62Å; K230-E234 WeakPolarHBondContact O-CB 3.12Å; K230-E234 WeakPolarHBondContact O-CG 3.3Å; K230-E234 PolarHBondContact O-N 3.04Å; L231-E234 PolarHBondContact O-N 3.22Å
235M55.9Low58.1Low165 Ų165116.7 Ų116.781%0.81362%0.621SS**Hα-helixtrans-94.1-20.2175.1-68.4177.6111.400114.4L231 K232 W233L231-M235 WeakPolarHBondContact O-CB 3.34Å; L231-M235 VanDerWaalsContact O-CG 3.27Å; L231-M235 WeakPolarHBondContact O-CG 3.45Å; L231-M235 PolarHBondContact O-N 3.45Å; K232-M235 CarbonylContact O-C 3.6Å; K232-M235 PolarHBondContact O-N 2.82Å; K232-M235 VanDerWaalsContact O-N 3.08Å; W233-M235 PolarHBondContact O-N 3.22Å
236Q51.6Low55.4Low152 Ų152118.9 Ų118.971%0.7164%0.643SS**Hα-helixtrans-85.4-8.6-178.1-142.594.18000113.3K232 W233 P238K232-Q236 WeakPolarHBondContact O-CB 3.44Å; K232-Q236 PolarHBondContact O-N 2.87Å; W233-Q236 PolarHBondContact O-N 3.12Å; Q236-P238 WeakPolarHBondContact O-CD 3.49Å
237L46.2Very low52.8Low113 Ų113116.3 Ų116.359%0.59265%0.65SS**  trans-106.288.9-178.4-89.9158.5000111.8G239L237-G239 PolarHBondContact O-N 3.29Å
238P49.2Very low50.5Low129 Ų129123.7 Ų123.784%0.83868%0.678SS**  trans-74.289.3166.531.5-33.5000110.3Q236Q236-P238 WeakPolarHBondContact O-CD 3.49Å
239G47.3Very low48.1Very low69 Ų69127.3 Ų127.371%0.71170%0.704SS**  trans102.3108.9158.500000116.9L237L237-G239 PolarHBondContact O-N 3.29Å
240A35.3Very low46.3Very low96 Ų96128.4 Ų128.479%0.79372%0.724SS**SBendtrans-145125.7144.700000108.6
241S38.1Very low45.1Very low124 Ų124130 Ų13087%0.86774%0.744SS**  trans64.372.4172.9-57.70000118.2
242Q40.2Very low43.1Very low199 Ų199129.2 Ų129.293%0.9376%0.759SS**  -96.8136.5127.6-73.4-169.1200108.2
243G33.1Very low41.4Very low75 Ų75132.1 Ų132.177%0.77378%0.778SS**  trans-82.2130.1-179.100000112.9
244L36.3Very low40.1Very low156 Ų156131.6 Ų131.682%0.81779%0.787SS**  trans50.6102.4149.1-69.7159.2000119.7
245T33.9Very low38.7Very low129 Ų129132.3 Ų132.379%0.79180%0.803SS**  trans66.8139.3139.3640000118.3
246V32.4Very low37.5Very low130 Ų130129.1 Ų129.179%0.78880%0.802SS**  cis-143.6152.336.7167.70000113.1
247S30Very low36.7Very low107 Ų107130.1 Ų130.175%0.74881%0.807SS**  trans3.7111.4166.1-58.40000123.1
248R35.7Very low36Very low245 Ų245133.2 Ų133.293%0.92582%0.819SS**  trans-16.9121.6130.1177.5-174.2-172.6166.31.8116.8
249V31.6Very low35.2Very low144 Ų144132.4 Ų132.487%0.87382%0.816SS**  trans-139.8132.6137.1-174.90000109.3
250A38.4Very low35.1Very low86 Ų86135.1 Ų135.171%0.71182%0.821SS**  trans-147.1147.9163.600000105.1
251P47.4Very low34.8Very low133 Ų133133.6 Ų133.686%0.86482%0.815SS**  -146.2176.664.338.5-19.2000115.6
252G29.1Very low34.4Very low79 Ų79133.8 Ų133.881%0.81482%0.816SS**  trans173.588.6170.500000114
253I36.8Very low34.2Very low167 Ų167130.9 Ų130.986%0.85681%0.811SS**  trans-85.9124.7171.8-63.7170000109
254I31.2Very low34.5Very low171 Ų171133.4 Ų133.488%0.87781%0.814SS**  trans-144.4138.5143.8-45.9178.6000109.1
255S32.7Very low34.3Very low109 Ų109132.5 Ų132.576%0.76282%0.815SS**  trans-104.1141.1174.5175.20000110.6
256A31.3Very low34.1Very low98 Ų98130.6 Ų130.681%0.8181%0.813SS**  trans-162143.3154.300000111.9
257Q34.8Very low34Very low174 Ų174129.1 Ų129.181%0.81382%0.815SS**  trans-87.8176.4170.1-65.8174.6-106.700112
258Q31.5Very low34.1Very low178 Ų178131.8 Ų131.883%0.83282%0.82SS**  trans97.2112.9151.5-70.8172.15.200119.5
259S32.7Very low34.2Very low111 Ų111126.3 Ų126.378%0.77682%0.816SS**  trans-75.7170143.8-146.20000108.5
260P44.9Very low34.1Very low127 Ų127123.9 Ų123.983%0.82581%0.81SS**  cis-143.6178.517.842.7-23.6000117.4
261G27.7Very low33.6Very low64 Ų64128.3 Ų128.366%0.6682%0.821SS**  trans132.7114.7143.600000119.6
262S31.1Very low33Very low128 Ų128130.4 Ų130.490%0.89582%0.82SS**  trans77.1135.4136.7-55.30000122.9
263V35.2Very low33.7Very low137 Ų137131.2 Ų131.283%0.8381%0.811SS**  trans-71.4163.1172.5-82.30000113.5
264P40.4Very low33.5Very low129 Ų129131.7 Ų131.784%0.83881%0.814SS**  -141.2159.5104.838.1-25.5000116.7
265T31.3Very low33.7Very low136 Ų136127 Ų12783%0.83481%0.807SS**  trans-76.4143.3166.8-70.90000111.9
266A30.5Very low34.5Very low89 Ų89128 Ų12874%0.73681%0.811SS**  177.2140.1129.700000116
267A29.7Very low34.4Very low100 Ų100128.7 Ų128.783%0.82681%0.81SS**  trans67.3135.3140.800000123.1
268L32.5Very low34.1Very low163 Ų163124 Ų12485%0.85380%0.796SS**  trans-77.7172.2164.9-62.4166.9000111.2
269P37.8Very low34.2Very low130 Ų130125.8 Ų125.884%0.84480%0.797SS**  -128.6160.6111.837.2-32.6000113.9
270A28.6Very low34.1Very low92 Ų92128.4 Ų128.476%0.7680%0.797SS**  trans-99.8159.417400000111.3
271L29.3Very low33.6Very low179 Ų179127.2 Ų127.294%0.93778%0.783SS**  trans-160.9162.1143-108.1168.6000110.9
272E34.2Very low33.7Very low178 Ų178130.3 Ų130.383%0.83279%0.793SS**  trans-95.5172-153.3-99.1-108.5112.400116.2
273P44.6Very low34Very low96 Ų96133.8 Ų133.862%0.62379%0.786SS**  trans-106.3179.7-168.442-34.2000114.9
274L32.1Very low33.6Very low177 Ų177132.2 Ų132.293%0.92779%0.788SS**  trans-118.7128.4161.6-72.9165.4000109.1
275G34.3Very low33.2Very low72 Ų72133 Ų13374%0.74279%0.79SS**  trans-90.1-141.6175.800000112.3
276P49.1Very low33.3Very low129 Ų129130.6 Ų130.684%0.83878%0.784SS**  cis-134.6164.8-17.639.7-24.9000113.5
277S29.7Very low34Very low114 Ų114131.9 Ų131.980%0.79779%0.786SS**  trans-157.4124.6147.9-137.10000112.5
278C29.2Very low34.3Very low76 Ų76133.9 Ų133.951%0.51478%0.782SS.*  trans-27.4156166.353.80000117.9
279Y32.5Very low34.2Very low215 Ų215136.5 Ų136.584%0.84378%0.781SS**  cis-149.5150.223.5-35.5-106.2000109.2
280Q31.3Very low34Very low166 Ų166136.1 Ų136.178%0.77678%0.78SS**  trans-145.4141.9170.7-127.9-161.2-11.600112.7
281L34.3Very low34.2Very low101 Ų101139.6 Ų139.653%0.52979%0.785SS.*  trans68.7139.6155.3-57.5156.2000118.2W283L281-W283 HydrophobicContact CD1-CZ2 4.15Å; L281-W283 HydrophobicContact CD2-CZ2 4.18Å
282C29.7Very low34.5Very low130 Ų130136.9 Ų136.988%0.87878%0.781SS**  -159.3141.8113.6-109.60000111.1
283W37.3Very low34.5Very low200 Ų200135.5 Ų135.576%0.75878%0.779SS**  trans-110.4140.8169.60.9-101.2000107.8L281L281-W283 HydrophobicContact CD1-CZ2 4.15Å; L281-W283 HydrophobicContact CD2-CZ2 4.18Å
284A27.2Very low34.2Very low104 Ų104137.2 Ų137.286%0.8679%0.788SS**  trans-147.8148.4171.200000110.9
285T32.8Very low34.7Very low145 Ų145134.3 Ų134.389%0.8978%0.78SS**  trans-120.4159.3-173-62.60000110
286A32.5Very low35Very low86 Ų86137 Ų13771%0.71178%0.784SS**  trans112.2165.3160.300000115.7
287P46.4Very low34.3Very low117 Ų117140.5 Ų140.576%0.7679%0.786SS**  -139.2172.3-66.341-26.4000116
288D34.3Very low34.4Very low142 Ų142139.5 Ų139.576%0.75979%0.785SS**  trans72.3147.4151.5-123.2-92.7000123.9
289R31.6Very low34.5Very low217 Ų217141.7 Ų141.782%0.81980%0.8SS**  trans64.8100.5165.9-60.5-147.1165.6-175.8-5.5122.4
290C32.2Very low34.5Very low122 Ų122139.3 Ų139.382%0.82480%0.801SS**  167.4154.492.1-98.10000113.2
291L34.5Very low34.7Very low165 Ų165140.5 Ų140.586%0.86480%0.803SS**  trans-75146.9-176.8-73.475.3000113.5
292S35.5Very low34.8Very low122 Ų122141.1 Ų141.185%0.85381%0.814SS**  -171.6146.5122.138.90000112.5
293D33.6Very low35Very low149 Ų149140.6 Ų140.680%0.79781%0.81SS**  trans-75.6136.5-178.3-73.5-79.7000114
294T38.3Very low34.9Very low133 Ų133142.7 Ų142.782%0.81682%0.818SS**  167.9141.512133.40000112
295P42Very low35Very low116 Ų116141.4 Ų141.475%0.75382%0.815SS**  trans-86143.7179.233.1-34000113.1
296P40.3Very low35Very low127 Ų127143.4 Ų143.483%0.82581%0.814SS**  trans-77.5135.1-17630.2-34.8000113.3A298P296-A298 PolarHBondContact O-N 3Å
297K35.8Very low35Very low203 Ų203146.4 Ų146.488%0.88382%0.817SS**  trans-78.7111.5168.3-74-176.5177.4176.10110.7C299K297-C299 PolarHBondContact O-N 3.28Å
298A31Very low34.6Very low94 Ų94146.5 Ų146.578%0.77782%0.818SS**  trans-85.9102.8167.800000110.9P296 L300P296-A298 PolarHBondContact O-N 3Å; A298-L300 PolarHBondContact O-N 2.9Å
299C31.4Very low35.2Very low122 Ų122144.9 Ų144.982%0.82482%0.815SS**  trans-76.7105.9169.7-75.70000110.8K297 K301K297-C299 PolarHBondContact O-N 3.28Å; C299-K301 PolarHBondContact O-N 3.05Å
300L32.4Very low35.3Very low165 Ų165143 Ų14386%0.86482%0.816SS**  trans-87.3105.1168.4-71.9169.7000110.1A298A298-L300 PolarHBondContact O-N 2.9Å
301K36.3Very low36.1Very low191 Ų191142.1 Ų142.183%0.8381%0.808SS**  trans-73.6128.2166.2-80.8177.8172.9175.80109.9C299C299-K301 PolarHBondContact O-N 3.05Å
302P35.2Very low35.8Very low114 Ų114142.6 Ų142.674%0.7481%0.812SS**  trans-76.9123.2162.9-9.927.3000109.6
303C34.1Very low35.4Very low119 Ų119141.6 Ų141.680%0.80481%0.805SS**  trans-86.7111.5167.8-640000109.1
304W35.4Very low35.4Very low243 Ų243141.8 Ų141.892%0.9280%0.804SS**  trans-134.5140.3161.6-78.796000109.1
305G29.6Very low34.9Very low77 Ų77141.5 Ų141.579%0.79480%0.798SS**  trans-75.9160.9-158.400000116.2
306H32.3Very low34.4Very low188 Ų188141.3 Ų141.387%0.8780%0.8SS**  trans-85.6122.9173.2-76-95.2000112
307L33.3Very low33.9Very low148 Ų148138.8 Ų138.878%0.77580%0.797SS**  170.2150.4124-114.470.5000107.8
308P37.5Very low33.8Very low120 Ų120136.4 Ų136.478%0.77979%0.793SS**  -137.41775041.6-25.9000115.4
309P47.7Very low33.8Very low108 Ų108139 Ų13970%0.70179%0.793SS**  trans-107.3151.1153.935.7-26.8000112.7
310Q34Very low33.7Very low178 Ų178138.2 Ų138.283%0.83279%0.788SS**  trans-83.5163.2171.2-77.5-77.120.800111.3
311P47.1Very low33.9Very low102 Ų102137.7 Ų137.766%0.66279%0.785SS**  trans-82.7160.8-173.934.8-36.5000113.4
312N29.6Very low34.5Very low176 Ų176133.8 Ų133.894%0.94178%0.779SS**  trans-144.7165.2160.7-103.5-22.3000110.3
313S27.2Very low34.3Very low101 Ų101133.7 Ų133.771%0.70678%0.78SS**  trans-110.6171.3-151.7-159.50000115
314L32Very low34.9Very low152 Ų152133.6 Ų133.680%0.79678%0.778SS**  trans71.3144.6162.3-68.5155.8000116.6
315D29.8Very low34.7Very low127 Ų127127.2 Ų127.268%0.67977%0.77SS**  cis-160.7168.1-6.3-173.3-100.7000110.3
316S30.4Very low34.7Very low113 Ų113128.6 Ų128.679%0.7977%0.768SS**  trans63.9134169.8-67.90000116.3
317G30.6Very low34.6Very low74 Ų74128.1 Ų128.176%0.76377%0.765SS**  cis144.4161.215.900000106.8
318L33.3Very low34.6Very low153 Ų153126.6 Ų126.680%0.80177%0.766SS**  cis-169.3132.7-6.3-155.3-179.5000106.4
319L30.9Very low35Very low149 Ų149127 Ų12778%0.7877%0.768SS**  trans159.4128.4137.3-84163.4000115
320C29.7Very low34.3Very low105 Ų105130 Ų13071%0.70978%0.777SS**  trans51.3145.8141-63.90000123
321L36.7Very low34Very low153 Ų153126.4 Ų126.480%0.80178%0.778SS**  cis-165.1-173.1-15.9-114.4172.5000106.8
322P47.3Very low33.2Very low109 Ų109126.7 Ų126.771%0.70878%0.783SS**  trans-113.9179.7-131.944.1-32.3000117.6
323C32.8Very low33.3Very low113 Ų113126 Ų12676%0.76478%0.779SS**  trans-59.3162.4165.8-50.20000113.3
324P45Very low33.5Very low117 Ų117126.9 Ų126.976%0.7678%0.784SS**  -135.4143.588.715.47.2000113.4
325S31.9Very low33.3Very low108 Ų108123.3 Ų123.376%0.75579%0.785SS**  57.8118.184.4-49.80000115.7
326S30.5Very low33.3Very low107 Ų107123.5 Ų123.575%0.74879%0.794SS**  165.8159.6115.359.20000116.5
327H29.3Very low33.4Very low177 Ų177127 Ų12782%0.81980%0.798SS**  trans65.6112.4156.7-70.7-66.8000123.6
328C32.5Very low33.5Very low116 Ų116127.7 Ų127.778%0.78480%0.797SS**  trans-77.4163.1136.2-57.50000110
329P46.5Very low33.5Very low129 Ų129128.5 Ų128.584%0.83880%0.801SS**  -142.1173.6106.238.7-25.5000116.2
330L32.1Very low33.7Very low170 Ų170128.8 Ų128.889%0.8980%0.803SS**  trans-79.3148.9-178.4-170.279.8000112.7
331A28.8Very low33.8Very low103 Ų103135.7 Ų135.785%0.85181%0.814SS**  trans-147.2144.3156.800000111.2
332S31.2Very low34Very low108 Ų108133.6 Ų133.676%0.75581%0.81SS**  trans-126.3144.7-179.6174.50000108.6
333L30.7Very low33.3Very low163 Ų163131.8 Ų131.885%0.85381%0.811SS**  trans174.3137.3139.7-98.7155.2000114.4
334S31.2Very low33.4Very low118 Ų118132.5 Ų132.583%0.82582%0.815SS**  trans63.6128.3140.5-160.40000121.4
335G28Very low33.6Very low78 Ų78133.1 Ų133.180%0.80482%0.82SS**  trans172.374.5168.200000112.6
336C30.7Very low33.8Very low130 Ų130135.4 Ų135.488%0.87882%0.822SS**  trans-76.7132.6174.1-600000111
337E31Very low34.5Very low186 Ų186138.5 Ų138.587%0.86983%0.83SS**  trans-146133.6142.3-151.2172.1114.800110.1
338A32.8Very low35.2Very low90 Ų90140.1 Ų140.174%0.74483%0.83SS**  trans-108.9128-176.200000109.7
339L33.4Very low35.5Very low169 Ų169137.5 Ų137.589%0.88582%0.823SS**  trans-108.7113.2164.1-75.1176.9000110.1
340L34.7Very low35.4Very low156 Ų156139.4 Ų139.482%0.81783%0.825SS**  trans-76.2141.9179.5-148.976.9000109.9
341W31.6Very low35.9Very low250 Ų250143.9 Ų143.995%0.94784%0.842SS**  trans-137.5134.1150.5-134.3-71000109.5
342P41.9Very low36.3Very low109 Ų109146 Ų14671%0.70884%0.841SS**  trans-98.3162.3-164.76.315.5000112.5
343G33.4Very low36.6Very low71 Ų71147.9 Ų147.973%0.73285%0.846SS**  trans149.632.5158.300000120.7
344C33.3Very low36.9Very low127 Ų127147.1 Ų147.186%0.85885%0.845SS**  trans-123.9116.1164.7-72.60000111L346C344-L346 PolarHBondContact O-N 2.9Å
345P50.3Low37.2Very low131 Ų131148.8 Ų148.885%0.85185%0.846SS**  trans-79110.416830.5-30.1000110
346L35.4Very low37.8Very low155 Ų155153.3 Ų153.381%0.81285%0.849SS**  trans-74.2134.9156.5-76.4163.7000108.3C344C344-L346 PolarHBondContact O-N 2.9Å
347L45.4Very low38.3Very low172 Ų172154.8 Ų154.890%0.90185%0.847SS**  trans-114.9128.6159-106.7170.7000108.9
348Y45.3Very low38.8Very low211 Ų211152.6 Ų152.683%0.82785%0.846SS**  trans-67.6152.1-178-85.7-115.4000111.4
349G37.8Very low39.2Very low62 Ų62157.4 Ų157.464%0.63985%0.853SS**  trans-99.9149.7148.600000109.5
350L43.9Very low39.7Very low168 Ų168156.4 Ų156.488%0.8885%0.851SS**  trans176.4109.3144.8-99.9162.3000109.1
351E43.9Very low40.2Very low265 Ų265156.5 Ų156.5100%1.23885%0.854SS**  -141.30113.4-141.1-180125.300108

Retrieved 351 of 351 residues in 203.6 ms (Link to these results)