A0A087XTN2_POEFO Loading...

Embryonal Fyn-associated substrate

AlphaFold DB , UniProt , Accession A0A087XTN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 969 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
1M34.8Very low71.7Confident230 Ų23086.2 Ų86.2100%1.13348%0.484SS*.  0112.70-69.7173.8174.500108.1N3M1-N3 PolarHBondContact O-N 3.5Å
2S34.4Very low73.4Confident126 Ų12690.2 Ų90.288%0.88149%0.487SS*.  trans-85.990.2177.131.50000109.4S4S2-S4 PolarHBondContact O-N 3.47Å
3N43Very low74.8Confident137 Ų13790.8 Ų90.873%0.73349%0.49SS*.  trans-67.599.9174.2-683000108.8M1 T5M1-N3 PolarHBondContact O-N 3.5Å; N3-T5 PolarHBondContact O-N 3.49Å; N3-T5 VanDerWaalsContact O-N 3.15Å
4S56.2Low76Confident90 Ų9084.6 Ų84.663%0.62946%0.457SS*.  trans-58117.8172.6-174.30000108.9S2 V6S2-S4 PolarHBondContact O-N 3.47Å; S4-V6 VanDerWaalsContact C-N 3.26Å; S4-V6 PolarHBondContact O-N 2.99Å
5T68.3Low77Confident90 Ų9086.1 Ų86.155%0.55247%0.47SS*.  trans-77.577.6-176.542.40000110.1N3 L7 M31N3-T5 PolarHBondContact O-N 3.49Å; N3-T5 VanDerWaalsContact O-N 3.15Å; T5-L7 PolarHBondContact O-N 2.79Å; T5-M31 HydrophobicContact CG2-SD 4.04Å
6V87.4Confident77.7Confident41 Ų4183.4 Ų83.425%0.24846%0.463CS..  trans-59.8109.9178.7-178.50000109.4S4 V32 I62S4-V6 VanDerWaalsContact C-N 3.26Å; S4-V6 PolarHBondContact O-N 2.99Å; V6-V32 HydrophobicContact CB-CB 4.27Å; V6-V32 HydrophobicContact CG1-CB 4.28Å; V6-V32 HydrophobicContact CG1-CG2 4.31Å; V6-V32 WeakPolarHBondContact O-CB 3.39Å; V6-V32 PolarHBondContact O-N 3.25Å; V6-I62 HydrophobicContact CG1-CB 4.49Å; V6-I62 HydrophobicContact CG1-CD1 4.2Å; V6-I62 HydrophobicContact CG1-CG1 4.03Å; V6-I62 HydrophobicContact CG1-CG2 3.74Å
7L91.7Very high77.9Confident73 Ų7388.6 Ų88.638%0.38248%0.483SS..EExtended strand (participates in β ladder)trans-87.2148.6172.3-62.6-178.7000109.7T5 I29 L30 M31 I62 L63T5-L7 PolarHBondContact O-N 2.79Å; L7-I29 HydrophobicContact CB-CG2 4.08Å; L7-I29 HydrophobicContact CD1-CG2 4.31Å; L7-I29 HydrophobicContact CD2-CG2 4.37Å; L7-I29 HydrophobicContact CG-CG2 4.49Å; L7-L30 CarbonylContact C-O 3.43Å; L7-L30 WeakPolarHBondContact CA-O 3.39Å; L7-M31 HydrophobicContact CD2-CB 4.07Å; L7-M31 HydrophobicContact CD2-CG 4.22Å; L7-I62 WeakPolarHBondContact O-CA 3.1Å; L7-L63 HydrophobicContact CB-CB 4.35Å; L7-L63 PolarHBondContact O-N 3.43Å
8A92.4Very high78.2Confident0 Ų086.2 Ų86.20%047%0.474CS..EExtended strand (participates in β ladder)trans-140.2135.3174.100000111.5L30 V32 L60 K61A8-L30 PolarHBondContact N-O 3.39Å; A8-L30 PolarHBondContact O-N 3.44Å; A8-V32 HydrophobicContact CB-CG2 3.56Å; A8-L60 HydrophobicContact CB-CB 4.17Å; A8-L60 HydrophobicContact CB-CD1 4.17Å; A8-K61 CarbonylContact C-O 3.57Å; A8-K61 VanDerWaalsContact CA-O 3.24Å; A8-K61 WeakPolarHBondContact CA-O 3.48Å
9K94.1Very high78.5Confident95 Ų9588.8 Ų88.841%0.41350%0.496SS..EExtended strand (participates in β ladder)trans-91.1130.8178.1-175.6161.8-168.2168.10111L11 D28 I29 L60 K61 L63K9-L11 PolarHBondContact O-N 3.47Å; K9-D28 WeakPolarHBondContact CA-O 3.45Å; K9-I29 HydrophobicContact CB-CD1 3.7Å; K9-I29 HydrophobicContact CD-CD1 3.85Å; K9-I29 HydrophobicContact CG-CD1 3.68Å; K9-L60 CarbonylContact O-C 3.54Å; K9-L60 WeakPolarHBondContact O-CA 3.09Å; K9-K61 PolarHBondContact N-O 3.47Å; K9-K61 PolarHBondContact O-N 3Å; K9-L63 HydrophobicContact CB-CD1 4.27Å; K9-L63 HydrophobicContact CB-CD2 4.1Å; K9-L63 HydrophobicContact CB-CG 4.23Å
10A94.4Very high78.8Confident2 Ų291.4 Ų91.42%0.01750%0.504CS..EExtended strand (participates in β ladder)trans-66.4123.7170.600000111.7F24 R25 G27 D28 L30 L60A10-F24 HydrophobicContact CB-CD2 3.4Å; A10-F24 VanDerWaalsContact CB-CD2 3.4Å; A10-F24 HydrophobicContact CB-CE2 3.63Å; A10-F24 HydrophobicContact CB-CG 4.47Å; A10-R25 WeakPolarHBondContact CB-O 3.34Å; A10-G27 PolarHBondContact O-N 3.02Å; A10-D28 HydrophobicContact CB-CB 4.32Å; A10-D28 PolarHBondContact N-O 2.83Å; A10-L30 HydrophobicContact CB-CD1 4.02Å; A10-L60 HydrophobicContact CB-CD2 4.34Å
11L91.7Very high79.4Confident64 Ų6488 Ų8834%0.33548%0.484SS..SBendtrans-86.9-21.2177.1-60.8-178.7000112.9K9 K26 R59 K61K9-L11 PolarHBondContact O-N 3.47Å; L11-K26 WeakPolarHBondContact O-CD 3.45Å; L11-K26 WeakPolarHBondContact O-CE 3.49Å; L11-K26 WeakPolarHBondContact O-CG 3.39Å; L11-R59 PolarHBondContact N-O 3.47Å; L11-K61 HydrophobicContact CD1-CB 4.14Å; L11-K61 HydrophobicContact CD2-CB 3.84Å; L11-K61 HydrophobicContact CG-CB 4.08Å
12Y91.8Very high82Confident134 Ų13477.6 Ų77.653%0.52543%0.433SS..SBendtrans-143.4164.3-177.1-51.5-80.6000110.1F24 K26 R59Y12-F24 WeakPolarHBondContact O-CE2 3.32Å; Y12-K26 PolarHBondContact O-N 3.16Å; Y12-R59 HydrophobicContact CD2-CB 4.29Å; Y12-R59 HydrophobicContact CD2-CG 4.31Å
13D91.9Very high84.7Confident98 Ų9874.5 Ų74.552%0.52442%0.415SS..  trans-71.6152.6168-54.6-55.9000111.1R25 K26 R59D13-R25 WeakPolarHBondContact OD1-CA 3.31Å; D13-R25 WeakPolarHBondContact OD1-CB 3.24Å; D13-K26 PolarHBondContact OD1-N 3.22Å; D13-R59 PolarHBondContact O-NH1 3.43Å
14N92.3Very high87.2Confident5 Ų568.3 Ų68.33%0.02738%0.382CS..BIsolated β-bridgetrans-136.1117.4172.6-15953.5000110.6E21 L22 A23 F24 R59N14-E21 PolarHBondContact ND2-OE1 3.02Å; N14-E21 PolarHBondContact OD1-OE1 3.22Å; N14-L22 PolarHBondContact ND2-O 3.01Å; N14-A23 CarbonylContact O-C 3.54Å; N14-A23 VanDerWaalsContact O-CA 3.26Å; N14-A23 WeakPolarHBondContact O-CA 3.11Å; N14-F24 HydrophobicContact CB-CD1 3.64Å; N14-F24 HydrophobicContact CB-CD2 3.94Å; N14-F24 HydrophobicContact CB-CE1 3.3Å; N14-F24 HydrophobicContact CB-CE2 3.67Å; N14-F24 HydrophobicContact CB-CG 3.94Å; N14-F24 HydrophobicContact CB-CZ 3.35Å; N14-F24 PolarHBondContact N-O 3.25Å; N14-F24 PolarHBondContact O-N 3.36Å; N14-R59 PolarHBondContact OD1-NE 2.9Å; N14-R59 VanDerWaalsContact OD1-NE 3.15Å; N14-R59 PolarHBondContact OD1-NH1 2.87Å; N14-R59 PolarHBondContact OD1-NH2 3.16Å; N14-R59 VanDerWaalsContact OD1-NH2 3.11Å
15T90.3Very high89Confident106 Ų10672.7 Ų72.765%0.6538%0.384SS*.  trans-92115.8167.246.80000107.7E17T15-E17 PolarHBondContact O-N 2.68Å
16A87.8Confident90.2Very high44 Ų4475 Ų7536%0.36439%0.387SS..  trans-59.8120.917800000111.1E21 A23A16-E21 WeakPolarHBondContact CA-OE2 3.43Å; A16-E21 HydrophobicContact CB-CB 4.06Å; A16-E21 HydrophobicContact CB-CG 4.2Å; A16-E21 WeakPolarHBondContact CB-O 3.4Å; A16-A23 HydrophobicContact CB-CB 3.92Å
17E82.3Confident90.4Very high171 Ų17174.5 Ų74.580%0.79939%0.39SS*.SBendtrans-89.4-18.4176.7-62.8-176.2-166.800111.5T15 E21T15-E17 PolarHBondContact O-N 2.68Å; E17-E21 PolarHBondContact N-OE2 3.46Å
18S83.4Confident90.5Very high46 Ų4673.1 Ų73.132%0.32238%0.383SS..SBendtrans-125.7161.317586.50000111.5E20 E21S18-E20 PolarHBondContact O-N 2.89Å; S18-E20 PolarHBondContact OG-N 3.04Å; S18-E21 PolarHBondContact O-N 3.47Å; S18-E21 PolarHBondContact OG-N 3.04Å; S18-E21 VanDerWaalsContact OG-N 3.1Å
19P83.2Confident90.6Very high136 Ų13676.6 Ų76.688%0.88340%0.401SS*.SBendtrans-71.9-12.7175.231.2-36.3000113.6
20E85Confident90.5Very high140 Ų14072 Ų7265%0.65438%0.381SS*.SBendtrans-88.7-23.4176.5-66.4165.2-16800111.7S18 G53 I54S18-E20 PolarHBondContact O-N 2.89Å; S18-E20 PolarHBondContact OG-N 3.04Å; E20-G53 CarbonylContact O-C 3.6Å; E20-G53 WeakPolarHBondContact O-CA 3.44Å; E20-I54 PolarHBondContact O-N 3.41Å
21E90.5Very high90.4Very high19 Ų1975.2 Ų75.29%0.08940%0.397CS..BIsolated β-bridgetrans-79.5139.7178.8-176.3175.2-155.600111.8N14 A16 E17 S18 W43 I54N14-E21 PolarHBondContact ND2-OE1 3.02Å; N14-E21 PolarHBondContact OD1-OE1 3.22Å; A16-E21 WeakPolarHBondContact CA-OE2 3.43Å; A16-E21 HydrophobicContact CB-CB 4.06Å; A16-E21 HydrophobicContact CB-CG 4.2Å; A16-E21 WeakPolarHBondContact CB-O 3.4Å; E17-E21 PolarHBondContact N-OE2 3.46Å; S18-E21 PolarHBondContact O-N 3.47Å; S18-E21 PolarHBondContact OG-N 3.04Å; S18-E21 VanDerWaalsContact OG-N 3.1Å; E21-W43 HydrophobicContact CG-CZ3 4.29Å; E21-I54 WeakPolarHBondContact CA-O 3.49Å; E21-I54 HydrophobicContact CB-CG1 4.27Å
22L90.8Very high90.3Very high12 Ų1272.8 Ų72.86%0.06338%0.384CS..PPolyproline II helixtrans-89.6126.4177.5-159.6150.7000111.2N14 F24 L30 L48 K51 I54 V55N14-L22 PolarHBondContact ND2-O 3.01Å; L22-F24 HydrophobicContact CD2-CB 4.16Å; L22-F24 HydrophobicContact CD2-CD1 4.11Å; L22-F24 VanDerWaalsContact O-CD1 3.22Å; L22-F24 WeakPolarHBondContact O-CD1 3.47Å; L22-L30 HydrophobicContact CD2-CD2 4.21Å; L22-L48 HydrophobicContact CD1-CB 3.95Å; L22-L48 HydrophobicContact CD2-CB 3.66Å; L22-L48 HydrophobicContact CD2-CD2 3.74Å; L22-L48 HydrophobicContact CD2-CG 4.28Å; L22-L48 HydrophobicContact CG-CB 4.46Å; L22-K51 HydrophobicContact CD1-CB 4.44Å; L22-K51 WeakPolarHBondContact CD1-O 3.35Å; L22-I54 PolarHBondContact N-O 3.41Å; L22-V55 HydrophobicContact CB-CG2 3.74Å
23A90.9Very high90.1Very high62 Ų6270.1 Ų70.151%0.51238%0.379SS..PPolyproline II helixtrans-85.4127.2172.400000111.3N14 A16N14-A23 CarbonylContact O-C 3.54Å; N14-A23 VanDerWaalsContact O-CA 3.26Å; N14-A23 WeakPolarHBondContact O-CA 3.11Å; A16-A23 HydrophobicContact CB-CB 3.92Å
24F93.8Very high89.7Confident7 Ų766.9 Ų66.93%0.03136%0.362CS..BIsolated β-bridgetrans-147.2167.4-177.158.4-95.1000111.2A10 Y12 N14 L22 D28 L30 L48 V55 R59 L60A10-F24 HydrophobicContact CB-CD2 3.4Å; A10-F24 VanDerWaalsContact CB-CD2 3.4Å; A10-F24 HydrophobicContact CB-CE2 3.63Å; A10-F24 HydrophobicContact CB-CG 4.47Å; Y12-F24 WeakPolarHBondContact O-CE2 3.32Å; N14-F24 HydrophobicContact CB-CD1 3.64Å; N14-F24 HydrophobicContact CB-CD2 3.94Å; N14-F24 HydrophobicContact CB-CE1 3.3Å; N14-F24 HydrophobicContact CB-CE2 3.67Å; N14-F24 HydrophobicContact CB-CG 3.94Å; N14-F24 HydrophobicContact CB-CZ 3.35Å; N14-F24 PolarHBondContact N-O 3.25Å; N14-F24 PolarHBondContact O-N 3.36Å; L22-F24 HydrophobicContact CD2-CB 4.16Å; L22-F24 HydrophobicContact CD2-CD1 4.11Å; L22-F24 VanDerWaalsContact O-CD1 3.22Å; L22-F24 WeakPolarHBondContact O-CD1 3.47Å; F24-D28 HydrophobicContact CB-CB 4.44Å; F24-L30 HydrophobicContact CB-CD1 4.44Å; F24-L30 HydrophobicContact CB-CD2 4.49Å; F24-L30 HydrophobicContact CD1-CD2 3.96Å; F24-L30 HydrophobicContact CD2-CD1 4.49Å; F24-L30 HydrophobicContact CE1-CD2 4.43Å; F24-L30 HydrophobicContact CG-CD1 4.36Å; F24-L30 HydrophobicContact CG-CD2 4.25Å; F24-L48 HydrophobicContact CB-CD2 3.5Å; F24-L48 VanDerWaalsContact CB-CD2 3.5Å; F24-V55 HydrophobicContact CD1-CG1 4.39Å; F24-V55 HydrophobicContact CD1-CG2 4.1Å; F24-V55 HydrophobicContact CE1-CB 4.11Å; F24-V55 HydrophobicContact CE1-CG1 3.38Å; F24-V55 HydrophobicContact CE1-CG2 3.72Å; F24-V55 HydrophobicContact CZ-CG1 3.62Å; F24-R59 HydrophobicContact CE2-CB 4.2Å; F24-R59 HydrophobicContact CZ-CB 3.94Å; F24-L60 HydrophobicContact CE2-CD2 4.36Å; F24-L60 HydrophobicContact CZ-CD2 4.31Å
25R94.2Very high89Confident181 Ų18170.5 Ų70.568%0.68338%0.378SS*.  trans-112.9156.8177.7-68.4-176.8179.9176.30.8112.2A10 D13 G27 D28A10-R25 WeakPolarHBondContact CB-O 3.34Å; D13-R25 WeakPolarHBondContact OD1-CA 3.31Å; D13-R25 WeakPolarHBondContact OD1-CB 3.24Å; R25-G27 PolarHBondContact O-N 2.67Å; R25-G27 VanDerWaalsContact O-N 3.14Å; R25-D28 PolarHBondContact N-OD2 2.99Å; R25-D28 WeakPolarHBondContact O-CB 3.33Å; R25-D28 VanDerWaalsContact O-CG 3.32Å; R25-D28 PolarHBondContact O-N 3.28Å
26K93.9Very high87.6Confident139 Ų13973.3 Ų73.360%0.60438%0.384SS*.THydrogen-bonded Turntrans-56.3118.9171.1177.9169.4-175.11670110L11 Y12 D13L11-K26 WeakPolarHBondContact O-CD 3.45Å; L11-K26 WeakPolarHBondContact O-CE 3.49Å; L11-K26 WeakPolarHBondContact O-CG 3.39Å; Y12-K26 PolarHBondContact O-N 3.16Å; D13-K26 PolarHBondContact OD1-N 3.22Å
27G91.3Very high86Confident31 Ų3180.3 Ų80.332%0.3241%0.406SS..THydrogen-bonded Turntrans107.5-19.6-178.700000114.6A10 R25A10-G27 PolarHBondContact O-N 3.02Å; R25-G27 PolarHBondContact O-N 2.67Å; R25-G27 VanDerWaalsContact O-N 3.14Å
28D94.6Very high84.6Confident44 Ų4477 Ų7724%0.23540%0.398CS..  trans-58145.6176.3-69.2-3.6000110.9K9 A10 F24 R25 L30 L48K9-D28 WeakPolarHBondContact CA-O 3.45Å; A10-D28 HydrophobicContact CB-CB 4.32Å; A10-D28 PolarHBondContact N-O 2.83Å; F24-D28 HydrophobicContact CB-CB 4.44Å; R25-D28 PolarHBondContact N-OD2 2.99Å; R25-D28 WeakPolarHBondContact O-CB 3.33Å; R25-D28 VanDerWaalsContact O-CG 3.32Å; R25-D28 PolarHBondContact O-N 3.28Å; D28-L30 HydrophobicContact CB-CD1 4.2Å; D28-L48 HydrophobicContact CB-CD1 4.35Å; D28-L48 HydrophobicContact CB-CD2 4.14Å
29I93.8Very high83.2Confident72 Ų7275.9 Ų75.937%0.36939%0.393SS..EExtended strand (participates in β ladder)trans-106.2114.2175-50.8-53.7000108.7L7 K9 L48 L63L7-I29 HydrophobicContact CB-CG2 4.08Å; L7-I29 HydrophobicContact CD1-CG2 4.31Å; L7-I29 HydrophobicContact CD2-CG2 4.37Å; L7-I29 HydrophobicContact CG-CG2 4.49Å; K9-I29 HydrophobicContact CB-CD1 3.7Å; K9-I29 HydrophobicContact CD-CD1 3.85Å; K9-I29 HydrophobicContact CG-CD1 3.68Å; I29-L48 VanDerWaalsContact O-CD1 3.27Å; I29-L48 WeakPolarHBondContact O-CD1 3.44Å; I29-L63 HydrophobicContact CD1-CD1 3.91Å; I29-L63 HydrophobicContact CG2-CD1 4.41Å
30L93.4Very high82Confident0 Ų071 Ų710%037%0.368CS..EExtended strand (participates in β ladder)trans-99.3147.4177.6-61.782.5000109.2L7 A8 A10 L22 F24 D28 C46 S47 L48 V55 L60L7-L30 CarbonylContact C-O 3.43Å; L7-L30 WeakPolarHBondContact CA-O 3.39Å; A8-L30 PolarHBondContact N-O 3.39Å; A8-L30 PolarHBondContact O-N 3.44Å; A10-L30 HydrophobicContact CB-CD1 4.02Å; L22-L30 HydrophobicContact CD2-CD2 4.21Å; F24-L30 HydrophobicContact CB-CD1 4.44Å; F24-L30 HydrophobicContact CB-CD2 4.49Å; F24-L30 HydrophobicContact CD1-CD2 3.96Å; F24-L30 HydrophobicContact CD2-CD1 4.49Å; F24-L30 HydrophobicContact CE1-CD2 4.43Å; F24-L30 HydrophobicContact CG-CD1 4.36Å; F24-L30 HydrophobicContact CG-CD2 4.25Å; D28-L30 HydrophobicContact CB-CD1 4.2Å; L30-C46 HydrophobicContact CB-CB 4.26Å; L30-C46 HydrophobicContact CD2-CB 3.89Å; L30-S47 WeakPolarHBondContact CA-O 3.48Å; L30-L48 HydrophobicContact CD1-CD2 4.5Å; L30-L48 HydrophobicContact CD2-CB 4.35Å; L30-L48 HydrophobicContact CD2-CD2 4.49Å; L30-L48 HydrophobicContact CG-CB 4.08Å; L30-L48 HydrophobicContact CG-CD1 4.28Å; L30-L48 HydrophobicContact CG-CD2 4.15Å; L30-L48 HydrophobicContact CG-CG 4.38Å; L30-V55 HydrophobicContact CD2-CG2 3.85Å; L30-L60 HydrophobicContact CD1-CD2 3.82Å; L30-L60 HydrophobicContact CD2-CD2 4.31Å
31M91.9Very high80.9Confident69 Ų6971.1 Ų71.134%0.3438%0.381SS..EExtended strand (participates in β ladder)trans-95.6117.9169.9-174.3171.27100108.8T5 L7 L33 C46 S47T5-M31 HydrophobicContact CG2-SD 4.04Å; L7-M31 HydrophobicContact CD2-CB 4.07Å; L7-M31 HydrophobicContact CD2-CG 4.22Å; M31-L33 HydrophobicContact CE-CD2 3.94Å; M31-C46 CarbonylContact O-C 3.59Å; M31-C46 WeakPolarHBondContact O-CA 3.49Å; M31-S47 PolarHBondContact N-O 3.43Å; M31-S47 PolarHBondContact O-N 3Å
32V90.2Very high80.5Confident12 Ų1272.3 Ų72.37%0.07340%0.398CS..EExtended strand (participates in β ladder)trans-79.3124.8-179-171.90000108.7V6 A8 Q35 W44V6-V32 HydrophobicContact CB-CB 4.27Å; V6-V32 HydrophobicContact CG1-CB 4.28Å; V6-V32 HydrophobicContact CG1-CG2 4.31Å; V6-V32 WeakPolarHBondContact O-CB 3.39Å; V6-V32 PolarHBondContact O-N 3.25Å; A8-V32 HydrophobicContact CB-CG2 3.56Å; V32-Q35 HydrophobicContact CG1-CG 3.49Å; V32-Q35 VanDerWaalsContact CG1-CG 3.49Å; V32-W44 HydrophobicContact CG1-CB 4.29Å; V32-W44 HydrophobicContact CG1-CD2 4.46Å; V32-W44 HydrophobicContact CG1-CE3 4.24Å; V32-W44 HydrophobicContact CG2-CE3 4.16Å
33L86.5Confident80.4Confident79 Ų7976.1 Ų76.141%0.41441%0.412SS..EExtended strand (participates in β ladder)trans-100.2-41-176.6-60.6178.2000112.1M31 Q45 Q52M31-L33 HydrophobicContact CE-CD2 3.94Å; L33-Q45 HydrophobicContact CB-CG 4.31Å; L33-Q45 WeakPolarHBondContact CB-O 3.28Å; L33-Q45 HydrophobicContact CD1-CG 4.33Å; L33-Q45 PolarHBondContact N-O 3.06Å; L33-Q52 HydrophobicContact CD1-CB 4.39Å; L33-Q52 VanDerWaalsContact CD1-CD 3.44Å; L33-Q52 HydrophobicContact CD1-CG 3.86Å; L33-Q52 VanDerWaalsContact CD1-OE1 3.31Å
34D83Confident80.4Confident30 Ų3075.1 Ų75.116%0.1640%0.395CS..EExtended strand (participates in β ladder)trans-149.3137178.1164.538.2000108.5E36 K37 T38 W44 Q45D34-E36 PolarHBondContact OD1-N 3.42Å; D34-K37 PolarHBondContact OD1-N 3.18Å; D34-K37 WeakPolarHBondContact OD2-CA 3.44Å; D34-K37 WeakPolarHBondContact OD2-CB 3.48Å; D34-K37 PolarHBondContact OD2-N 2.82Å; D34-T38 WeakPolarHBondContact OD2-CB 3.26Å; D34-T38 PolarHBondContact OD2-N 2.9Å; D34-T38 PolarHBondContact OD2-OG1 3.34Å; D34-W44 CarbonylContact O-C 3.56Å; D34-W44 WeakPolarHBondContact O-CA 3.19Å; D34-Q45 HydrophobicContact CB-CB 4.08Å; D34-Q45 PolarHBondContact N-O 3.32Å; D34-Q45 PolarHBondContact O-N 3.3Å
35Q77.3Confident80.2Confident80 Ų8076.6 Ų76.637%0.37440%0.402SS..SBendtrans-105.5-8.3-178.5-69.1-174.230.700113.6V32 W44V32-Q35 HydrophobicContact CG1-CG 3.49Å; V32-Q35 VanDerWaalsContact CG1-CG 3.49Å; Q35-W44 VanDerWaalsContact CA-CD1 3.44Å; Q35-W44 HydrophobicContact CB-CG 4.26Å; Q35-W44 HydrophobicContact CG-CD2 4.02Å; Q35-W44 HydrophobicContact CG-CG 4.05Å; Q35-W44 PolarHBondContact O-NE1 2.97Å
36E62Low80.1Confident165 Ų16568 Ų6877%0.77137%0.369SS*.SBendtrans-149.8-25.5-163.8-163.2164.3-145.100115.8D34D34-E36 PolarHBondContact OD1-N 3.42Å
37K52.9Low79.9Confident191 Ų19162.3 Ų62.383%0.8335%0.348SS*.SBendtrans-88.9-25-166.1-59.9179.5-178.8179.50114.8D34D34-K37 PolarHBondContact OD1-N 3.18Å; D34-K37 WeakPolarHBondContact OD2-CA 3.44Å; D34-K37 WeakPolarHBondContact OD2-CB 3.48Å; D34-K37 PolarHBondContact OD2-N 2.82Å
38T52.9Low79.9Confident102 Ų10261.5 Ų61.563%0.62634%0.336SS*.SBendtrans-114.5-37-168.8-44.70000114.6D34D34-T38 WeakPolarHBondContact OD2-CB 3.26Å; D34-T38 PolarHBondContact OD2-N 2.9Å; D34-T38 PolarHBondContact OD2-OG1 3.34Å
39G54.4Low79.5Confident22 Ų2267.3 Ų67.323%0.22736%0.361CS..SBendtrans-92.9-9.4-171.100000116.3
40G57.6Low79Confident34 Ų3467.3 Ų67.335%0.35138%0.379SS..  trans72.4178.6-166.800000113.3G42 W43G40-G42 PolarHBondContact O-N 2.75Å; G40-G42 VanDerWaalsContact O-N 3.08Å; G40-W43 PolarHBondContact O-N 3.38Å
41P63.5Low78.7Confident142 Ų14274.9 Ų74.992%0.92241%0.412SS*.THydrogen-bonded Turntrans-64.5113.3-169.124.9-34.2000112.2
42G80.8Confident78.7Confident45 Ų4577.9 Ų77.946%0.46443%0.425SS..THydrogen-bonded Turntrans102.4517700000116G40 A57G40-G42 PolarHBondContact O-N 2.75Å; G40-G42 VanDerWaalsContact O-N 3.08Å; G42-A57 VanDerWaalsContact O-CB 3.32Å; G42-A57 WeakPolarHBondContact O-CB 3.3Å; G42-A57 PolarHBondContact O-N 2.98Å
43W89Confident78.7Confident91 Ų9177.5 Ų77.535%0.34542%0.423SS..EExtended strand (participates in β ladder)trans-120.4132.4174.3-65.786.7000111.2E21 G40 I54 V55 P56E21-W43 HydrophobicContact CG-CZ3 4.29Å; G40-W43 PolarHBondContact O-N 3.38Å; W43-I54 HydrophobicContact CD2-CD1 4.32Å; W43-I54 HydrophobicContact CE3-CB 4.02Å; W43-I54 HydrophobicContact CE3-CD1 3.81Å; W43-I54 HydrophobicContact CE3-CG1 3.89Å; W43-I54 HydrophobicContact CZ3-CD1 4.05Å; W43-I54 HydrophobicContact CZ3-CG1 4.13Å; W43-V55 WeakPolarHBondContact CA-O 3.49Å; W43-P56 HydrophobicContact CE3-CB 4.21Å; W43-P56 HydrophobicContact CH2-CB 4.3Å; W43-P56 HydrophobicContact CZ3-CB 4.11Å; W43-P56 HydrophobicContact CZ3-CG 4.21Å
44W90.5Very high78.9Confident41 Ų4175.2 Ų75.216%0.15541%0.411CS..EExtended strand (participates in β ladder)trans-111.6136.1177.9-63.4-13.2000110.3V32 D34 Q35 C46 I54 V55 A57 L60 I62V32-W44 HydrophobicContact CG1-CB 4.29Å; V32-W44 HydrophobicContact CG1-CD2 4.46Å; V32-W44 HydrophobicContact CG1-CE3 4.24Å; V32-W44 HydrophobicContact CG2-CE3 4.16Å; D34-W44 CarbonylContact O-C 3.56Å; D34-W44 WeakPolarHBondContact O-CA 3.19Å; Q35-W44 VanDerWaalsContact CA-CD1 3.44Å; Q35-W44 HydrophobicContact CB-CG 4.26Å; Q35-W44 HydrophobicContact CG-CD2 4.02Å; Q35-W44 HydrophobicContact CG-CG 4.05Å; Q35-W44 PolarHBondContact O-NE1 2.97Å; W44-C46 PolarHBondContact O-N 3.03Å; W44-I54 CarbonylContact O-C 3.58Å; W44-V55 PolarHBondContact N-O 2.88Å; W44-V55 PolarHBondContact O-N 3.46Å; W44-A57 HydrophobicContact CD2-CB 3.7Å; W44-A57 VanDerWaalsContact CE2-CB 3.44Å; W44-A57 HydrophobicContact CE3-CB 4.35Å; W44-A57 HydrophobicContact CG-CB 3.96Å; W44-A57 HydrophobicContact CH2-CB 4.45Å; W44-A57 HydrophobicContact CZ2-CB 3.87Å; W44-L60 HydrophobicContact CE3-CB 4.24Å; W44-L60 HydrophobicContact CE3-CD1 3.64Å; W44-L60 HydrophobicContact CZ3-CB 3.89Å; W44-L60 HydrophobicContact CZ3-CD1 4.1Å; W44-I62 HydrophobicContact CH2-CD1 3.75Å; W44-I62 HydrophobicContact CH2-CG1 3.8Å; W44-I62 HydrophobicContact CZ2-CD1 4.42Å; W44-I62 HydrophobicContact CZ3-CD1 4.2Å; W44-I62 HydrophobicContact CZ3-CG1 3.86Å
45Q89.8Confident79.3Confident38 Ų3873.8 Ų73.818%0.17840%0.404CS..EExtended strand (participates in β ladder)trans-75.3119.6169-175.267.2-0.400108.3L33 D34 G53L33-Q45 HydrophobicContact CB-CG 4.31Å; L33-Q45 WeakPolarHBondContact CB-O 3.28Å; L33-Q45 HydrophobicContact CD1-CG 4.33Å; L33-Q45 PolarHBondContact N-O 3.06Å; D34-Q45 HydrophobicContact CB-CB 4.08Å; D34-Q45 PolarHBondContact N-O 3.32Å; D34-Q45 PolarHBondContact O-N 3.3Å; Q45-G53 PolarHBondContact OE1-O 3.2Å
46C92.1Very high79.9Confident0 Ų070.5 Ų70.50%039%0.389CS..EExtended strand (participates in β ladder)trans-128.6151.9-174-71.20000111.4L30 M31 W44 Q52 G53 V55L30-C46 HydrophobicContact CB-CB 4.26Å; L30-C46 HydrophobicContact CD2-CB 3.89Å; M31-C46 CarbonylContact O-C 3.59Å; M31-C46 WeakPolarHBondContact O-CA 3.49Å; W44-C46 PolarHBondContact O-N 3.03Å; C46-Q52 VanDerWaalsContact O-CA 3.31Å; C46-Q52 WeakPolarHBondContact O-CA 3.28Å; C46-G53 PolarHBondContact N-O 2.88Å; C46-G53 PolarHBondContact O-N 3.09Å; C46-V55 HydrophobicContact CB-CB 4.21Å; C46-V55 HydrophobicContact CB-CG2 3.77Å
47S91.4Very high81.2Confident21 Ų2163.4 Ų63.415%0.14736%0.359CS..EExtended strand (participates in β ladder)trans-112132.2173.1-173.40000110.8L30 M31 K51L30-S47 WeakPolarHBondContact CA-O 3.48Å; M31-S47 PolarHBondContact N-O 3.43Å; M31-S47 PolarHBondContact O-N 3Å; S47-K51 CarbonylContact C-O 3.56Å; S47-K51 VanDerWaalsContact CA-O 3.27Å; S47-K51 WeakPolarHBondContact CA-O 3.45Å
48L90.3Very high83Confident13 Ų1360.5 Ų60.57%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-145.8130.7175-178.263.6000109.7L22 F24 D28 I29 L30 G50 K51L22-L48 HydrophobicContact CD1-CB 3.95Å; L22-L48 HydrophobicContact CD2-CB 3.66Å; L22-L48 HydrophobicContact CD2-CD2 3.74Å; L22-L48 HydrophobicContact CD2-CG 4.28Å; L22-L48 HydrophobicContact CG-CB 4.46Å; F24-L48 HydrophobicContact CB-CD2 3.5Å; F24-L48 VanDerWaalsContact CB-CD2 3.5Å; D28-L48 HydrophobicContact CB-CD1 4.35Å; D28-L48 HydrophobicContact CB-CD2 4.14Å; I29-L48 VanDerWaalsContact O-CD1 3.27Å; I29-L48 WeakPolarHBondContact O-CD1 3.44Å; L30-L48 HydrophobicContact CD1-CD2 4.5Å; L30-L48 HydrophobicContact CD2-CB 4.35Å; L30-L48 HydrophobicContact CD2-CD2 4.49Å; L30-L48 HydrophobicContact CG-CB 4.08Å; L30-L48 HydrophobicContact CG-CD1 4.28Å; L30-L48 HydrophobicContact CG-CD2 4.15Å; L30-L48 HydrophobicContact CG-CG 4.38Å; L48-G50 PolarHBondContact O-N 3.39Å; L48-G50 VanDerWaalsContact O-N 3.1Å; L48-K51 PolarHBondContact N-O 3.07Å; L48-K51 PolarHBondContact O-N 2.93Å
49H85.8Confident84.8Confident166 Ų16659.1 Ų59.177%0.76934%0.336SS*.THydrogen-bonded Turntrans49.934.1-177.6-56.1119.8000114K51H49-K51 VanDerWaalsContact C-N 3.25Å; H49-K51 PolarHBondContact O-N 3.22Å
50G84.5Confident86.5Confident72 Ų7258.6 Ų58.674%0.74233%0.328SS*.THydrogen-bonded Turntrans78.3-3.4-178.800000115.5L48L48-G50 PolarHBondContact O-N 3.39Å; L48-G50 VanDerWaalsContact O-N 3.1Å
51K86.9Confident88.1Confident160 Ų16063.2 Ų63.270%0.69634%0.338SS*.EExtended strand (participates in β ladder)trans-89.3143.8168.7-63.2-173.4177.4-172.80109.6L22 S47 L48 H49L22-K51 HydrophobicContact CD1-CB 4.44Å; L22-K51 WeakPolarHBondContact CD1-O 3.35Å; S47-K51 CarbonylContact C-O 3.56Å; S47-K51 VanDerWaalsContact CA-O 3.27Å; S47-K51 WeakPolarHBondContact CA-O 3.45Å; L48-K51 PolarHBondContact N-O 3.07Å; L48-K51 PolarHBondContact O-N 2.93Å; H49-K51 VanDerWaalsContact C-N 3.25Å; H49-K51 PolarHBondContact O-N 3.22Å
52Q90.9Very high89.4Confident131 Ų13159.3 Ų59.361%0.61231%0.309SS*.EExtended strand (participates in β ladder)trans-114.5147.5172-56.3-175.816.600109.7L33 C46L33-Q52 HydrophobicContact CD1-CB 4.39Å; L33-Q52 VanDerWaalsContact CD1-CD 3.44Å; L33-Q52 HydrophobicContact CD1-CG 3.86Å; L33-Q52 VanDerWaalsContact CD1-OE1 3.31Å; C46-Q52 VanDerWaalsContact O-CA 3.31Å; C46-Q52 WeakPolarHBondContact O-CA 3.28Å
53G90.4Very high89.7Confident4 Ų460.4 Ų60.44%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-179170176.500000112.1E20 Q45 C46E20-G53 CarbonylContact O-C 3.6Å; E20-G53 WeakPolarHBondContact O-CA 3.44Å; Q45-G53 PolarHBondContact OE1-O 3.2Å; C46-G53 PolarHBondContact N-O 2.88Å; C46-G53 PolarHBondContact O-N 3.09Å
54I90.9Very high89.1Confident31 Ų3165.2 Ų65.216%0.15933%0.33CS..EExtended strand (participates in β ladder)trans-72.6144.6176.662.7174000110.5E20 E21 L22 W43 W44E20-I54 PolarHBondContact O-N 3.41Å; E21-I54 WeakPolarHBondContact CA-O 3.49Å; E21-I54 HydrophobicContact CB-CG1 4.27Å; L22-I54 PolarHBondContact N-O 3.41Å; W43-I54 HydrophobicContact CD2-CD1 4.32Å; W43-I54 HydrophobicContact CE3-CB 4.02Å; W43-I54 HydrophobicContact CE3-CD1 3.81Å; W43-I54 HydrophobicContact CE3-CG1 3.89Å; W43-I54 HydrophobicContact CZ3-CD1 4.05Å; W43-I54 HydrophobicContact CZ3-CG1 4.13Å; W44-I54 CarbonylContact O-C 3.58Å
55V91.3Very high86.9Confident0 Ų068.7 Ų68.70%036%0.356CS..EExtended strand (participates in β ladder)trans-135.9132.9179.4167.40000108.9L22 F24 L30 W43 W44 C46 A57 L60L22-V55 HydrophobicContact CB-CG2 3.74Å; F24-V55 HydrophobicContact CD1-CG1 4.39Å; F24-V55 HydrophobicContact CD1-CG2 4.1Å; F24-V55 HydrophobicContact CE1-CB 4.11Å; F24-V55 HydrophobicContact CE1-CG1 3.38Å; F24-V55 HydrophobicContact CE1-CG2 3.72Å; F24-V55 HydrophobicContact CZ-CG1 3.62Å; L30-V55 HydrophobicContact CD2-CG2 3.85Å; W43-V55 WeakPolarHBondContact CA-O 3.49Å; W44-V55 PolarHBondContact N-O 2.88Å; W44-V55 PolarHBondContact O-N 3.46Å; C46-V55 HydrophobicContact CB-CB 4.21Å; C46-V55 HydrophobicContact CB-CG2 3.77Å; V55-A57 PolarHBondContact O-N 3.38Å; V55-L60 HydrophobicContact CB-CD1 4.26Å; V55-L60 HydrophobicContact CG1-CD1 3.45Å; V55-L60 VanDerWaalsContact CG1-CD1 3.45Å; V55-L60 HydrophobicContact CG1-CD2 3.98Å; V55-L60 HydrophobicContact CG1-CG 3.61Å
56P90.1Very high84.4Confident11 Ų1170.7 Ų70.77%0.07138%0.379CS..EExtended strand (participates in β ladder)trans-67117.6176.327.1-33.9000109.8W43 N58 R59W43-P56 HydrophobicContact CE3-CB 4.21Å; W43-P56 HydrophobicContact CH2-CB 4.3Å; W43-P56 HydrophobicContact CZ3-CB 4.11Å; W43-P56 HydrophobicContact CZ3-CG 4.21Å; P56-N58 PolarHBondContact O-N 3.44Å; P56-N58 VanDerWaalsContact O-N 3.1Å; P56-R59 HydrophobicContact CG-CB 4.37Å; P56-R59 HydrophobicContact CG-CG 3.88Å; P56-R59 PolarHBondContact O-N 3.1Å
57A88.4Confident82Confident17 Ų1776.1 Ų76.114%0.1442%0.415CS..G310 helixtrans-56.6-32.8-172.300000112.8G42 W44 V55 R59 L60G42-A57 VanDerWaalsContact O-CB 3.32Å; G42-A57 WeakPolarHBondContact O-CB 3.3Å; G42-A57 PolarHBondContact O-N 2.98Å; W44-A57 HydrophobicContact CD2-CB 3.7Å; W44-A57 VanDerWaalsContact CE2-CB 3.44Å; W44-A57 HydrophobicContact CE3-CB 4.35Å; W44-A57 HydrophobicContact CG-CB 3.96Å; W44-A57 HydrophobicContact CH2-CB 4.45Å; W44-A57 HydrophobicContact CZ2-CB 3.87Å; V55-A57 PolarHBondContact O-N 3.38Å; A57-R59 PolarHBondContact O-N 3.02Å; A57-R59 VanDerWaalsContact O-N 3.14Å; A57-L60 PolarHBondContact O-N 3.46Å
58N90.8Very high79.4Confident129 Ų12981 Ų8169%0.6945%0.446SS*.G310 helixtrans-66.7-9.7177.669.47.7000114.8P56P56-N58 PolarHBondContact O-N 3.44Å; P56-N58 VanDerWaalsContact O-N 3.1Å
59R90.8Very high77.3Confident73 Ų7386.8 Ų86.828%0.27548%0.484SS..G310 helixtrans-95.5-3.5171.2-59.2-167-157.5-15416.1113.4L11 Y12 D13 N14 F24 P56 A57L11-R59 PolarHBondContact N-O 3.47Å; Y12-R59 HydrophobicContact CD2-CB 4.29Å; Y12-R59 HydrophobicContact CD2-CG 4.31Å; D13-R59 PolarHBondContact O-NH1 3.43Å; N14-R59 PolarHBondContact OD1-NE 2.9Å; N14-R59 VanDerWaalsContact OD1-NE 3.15Å; N14-R59 PolarHBondContact OD1-NH1 2.87Å; N14-R59 PolarHBondContact OD1-NH2 3.16Å; N14-R59 VanDerWaalsContact OD1-NH2 3.11Å; F24-R59 HydrophobicContact CE2-CB 4.2Å; F24-R59 HydrophobicContact CZ-CB 3.94Å; P56-R59 HydrophobicContact CG-CB 4.37Å; P56-R59 HydrophobicContact CG-CG 3.88Å; P56-R59 PolarHBondContact O-N 3.1Å; A57-R59 PolarHBondContact O-N 3.02Å; A57-R59 VanDerWaalsContact O-N 3.14Å
60L91Very high75Confident12 Ų1282.6 Ų82.66%0.06349%0.485CS..EExtended strand (participates in β ladder)trans-110.7156.7-178.7-63.8-175.4000112.1A8 K9 A10 F24 L30 W44 V55 A57A8-L60 HydrophobicContact CB-CB 4.17Å; A8-L60 HydrophobicContact CB-CD1 4.17Å; K9-L60 CarbonylContact O-C 3.54Å; K9-L60 WeakPolarHBondContact O-CA 3.09Å; A10-L60 HydrophobicContact CB-CD2 4.34Å; F24-L60 HydrophobicContact CE2-CD2 4.36Å; F24-L60 HydrophobicContact CZ-CD2 4.31Å; L30-L60 HydrophobicContact CD1-CD2 3.82Å; L30-L60 HydrophobicContact CD2-CD2 4.31Å; W44-L60 HydrophobicContact CE3-CB 4.24Å; W44-L60 HydrophobicContact CE3-CD1 3.64Å; W44-L60 HydrophobicContact CZ3-CB 3.89Å; W44-L60 HydrophobicContact CZ3-CD1 4.1Å; V55-L60 HydrophobicContact CB-CD1 4.26Å; V55-L60 HydrophobicContact CG1-CD1 3.45Å; V55-L60 VanDerWaalsContact CG1-CD1 3.45Å; V55-L60 HydrophobicContact CG1-CD2 3.98Å; V55-L60 HydrophobicContact CG1-CG 3.61Å; A57-L60 PolarHBondContact O-N 3.46Å
61K91.7Very high72.6Confident131 Ų13184.9 Ų84.957%0.5749%0.49SS*.EExtended strand (participates in β ladder)trans-130.3121.5163.4171171.51791780108.8A8 K9 L11 L63A8-K61 CarbonylContact C-O 3.57Å; A8-K61 VanDerWaalsContact CA-O 3.24Å; A8-K61 WeakPolarHBondContact CA-O 3.48Å; K9-K61 PolarHBondContact N-O 3.47Å; K9-K61 PolarHBondContact O-N 3Å; L11-K61 HydrophobicContact CD1-CB 4.14Å; L11-K61 HydrophobicContact CD2-CB 3.84Å; L11-K61 HydrophobicContact CG-CB 4.08Å; K61-L63 PolarHBondContact O-N 2.93Å
62I90.8Very high70.1Confident60 Ų6085.9 Ų85.931%0.30850%0.497SS..EExtended strand (participates in β ladder)trans-57.5138.3172.9-67.8170.6000109.9V6 L7 W44V6-I62 HydrophobicContact CG1-CB 4.49Å; V6-I62 HydrophobicContact CG1-CD1 4.2Å; V6-I62 HydrophobicContact CG1-CG1 4.03Å; V6-I62 HydrophobicContact CG1-CG2 3.74Å; L7-I62 WeakPolarHBondContact O-CA 3.1Å; W44-I62 HydrophobicContact CH2-CD1 3.75Å; W44-I62 HydrophobicContact CH2-CG1 3.8Å; W44-I62 HydrophobicContact CZ2-CD1 4.42Å; W44-I62 HydrophobicContact CZ3-CD1 4.2Å; W44-I62 HydrophobicContact CZ3-CG1 3.86Å
63L87.4Confident68.6Low68 Ų6885 Ų8536%0.35650%0.503SS..EExtended strand (participates in β ladder)trans-102.3110.5168.1-59.2-175.8000107.4L7 K9 I29 K61 T65L7-L63 HydrophobicContact CB-CB 4.35Å; L7-L63 PolarHBondContact O-N 3.43Å; K9-L63 HydrophobicContact CB-CD1 4.27Å; K9-L63 HydrophobicContact CB-CD2 4.1Å; K9-L63 HydrophobicContact CB-CG 4.23Å; I29-L63 HydrophobicContact CD1-CD1 3.91Å; I29-L63 HydrophobicContact CG2-CD1 4.41Å; K61-L63 PolarHBondContact O-N 2.93Å; L63-T65 PolarHBondContact O-N 2.98Å
64E74.6Confident65.6Low192 Ų19288.2 Ų88.290%0.89754%0.536SS*.PPolyproline II helixtrans-65.1127.8171.8-68.4167.7175.900108.9
65T45.1Very low63.1Low113 Ų11393.1 Ų93.169%0.69357%0.57SS**PPolyproline II helixtrans-90.2133.2171.8-167.80000109.2L63L63-T65 PolarHBondContact O-N 2.98Å
66A38.1Very low60.1Low80 Ų8096.5 Ų96.566%0.66161%0.605SS**PPolyproline II helixtrans-66.9148.7172.300000110.5
67P40.1Very low57.7Low115 Ų115101.8 Ų101.875%0.74764%0.639SS**PPolyproline II helixtrans-66.3150169.129.4-34.5000110.8
68P38.7Very low54.9Low123 Ų123108.4 Ų108.480%0.79967%0.665SS**PPolyproline II helixtrans-72.4141.5-178.829.9-34.9000111.9
69P45.8Very low51.9Low134 Ų134108.6 Ų108.687%0.8766%0.662SS**PPolyproline II helixtrans-84.6142.9176.433.5-33.8000112.2
70G37.6Very low49Very low78 Ų78112.6 Ų112.680%0.80469%0.688SS**  trans148.673.5160.700000118.5
71S32.9Very low46.4Very low120 Ų120117.2 Ų117.284%0.83972%0.722SS**  trans-16893.1146.660.30000112.3
72E34Very low43.6Very low182 Ų182117.4 Ų117.485%0.8573%0.734SS**  trans-116.9175170-76.3-85.8132.400107.6
73P59.6Low40.9Very low113 Ų113124.4 Ų124.473%0.73476%0.758SS**  cis-143.4-174.7-45.140.7-24.4000114.9
74G28.4Very low37.9Very low71 Ų71128.6 Ų128.673%0.73278%0.78SS**  trans93.8178141.500000118.6
75P37.9Very low36.2Very low133 Ų133124.5 Ų124.586%0.86477%0.772SS**  cis-106.7155.5-9.638.3-28.1000112.3
76G28.4Very low36.1Very low72 Ų72125.1 Ų125.174%0.74278%0.778SS**  101168.356.200000110.1
77P40Very low35.6Very low121 Ų121124.9 Ų124.979%0.78678%0.784SS**  cis-112.8-177.7-12.834.8-15.1000111.4
78K28.7Very low35.4Very low156 Ų156127.7 Ų127.768%0.67879%0.791SS**  cis-150.113733.9-77.5179.6149.4-73.90114.6
79E28.2Very low35.3Very low134 Ų134127.5 Ų127.563%0.62679%0.79SS**  58.594.6127.8-60.3144.3-158.100120.3
80D29.9Very low34.6Very low156 Ų156129.1 Ų129.183%0.83479%0.791SS**  25147114-43.5-33.7000119.2
81S35.8Very low34.3Very low110 Ų110129.7 Ų129.777%0.76979%0.788SS**  cis-167.2-176.315.9-139.50000109.5
82V33Very low34.2Very low135 Ų135135.3 Ų135.382%0.81879%0.791SS**  cis-139.8-102.33.261.10000112.8
83Y35.5Very low34Very low206 Ų206133.1 Ų133.181%0.80879%0.79SS**  trans-161.8130.4-161-163.4-92.7000115.1
84L24.2Very low32.5Very low157 Ų157132 Ų13282%0.82279%0.79SS**  trans-178154.5144.6-106.8169.1000111.9
85S39.5Very low32.5Very low105 Ų105139.1 Ų139.173%0.73480%0.801SS**  trans-147.6132.3167.3-720000107
86P41Very low32.1Very low126 Ų126136.5 Ų136.582%0.81880%0.798SS**  -156.6168.283.141-22.3000117.3
87G27.6Very low31.9Very low76 Ų76142 Ų14278%0.78481%0.805SS**  trans79.4150.814400000120.3
88L37Very low31.4Very low173 Ų173140.3 Ų140.391%0.90680%0.796SS**  trans-68.6155.2163.1-83.877.3000110
89P36.5Very low31.5Very low119 Ų119138.6 Ų138.677%0.77380%0.798SS**  cis-149.2-17839.143.6-23.1000118.5
90L31.6Very low31.7Very low168 Ų168139.1 Ų139.188%0.8881%0.806SS**  trans23114.6151.4-129.574.2000122.2
91A30.6Very low31.6Very low90 Ų90137.7 Ų137.774%0.74480%0.802SS**  trans67.9115.713800000123.9
92R31.1Very low31.4Very low239 Ų239136.4 Ų136.490%0.90280%0.799SS**  trans72130.1142.9-87.1-176.4164.8175.4-5.1122.4
93T29.4Very low31.2Very low135 Ų135138 Ų13883%0.82880%0.802SS**  trans82.7117.6146.6300000124
94A29.2Very low30.9Very low90 Ų90131.2 Ų131.274%0.74480%0.795SS**  trans89.9111.913700000124.1
95F28.6Very low31.1Very low220 Ų220129.9 Ų129.997%0.96579%0.793SS**  trans29.1139.5141.9-68.4-87.5000124.5
96G27.6Very low30.4Very low78 Ų78134.4 Ų134.480%0.80480%0.796SS**  trans151.362.9144.200000123.8
97E25.9Very low29.8Very low188 Ų188134.3 Ų134.388%0.87979%0.788SS**  trans40.2144.2142.2-124.7-177.9106.200128.2
98S28.6Very low29.8Very low86 Ų86135.2 Ų135.260%0.60178%0.782SS**  trans96108138.7-89.10000126.4
99T31.5Very low30.5Very low119 Ų119132.3 Ų132.373%0.7377%0.773SS**  trans64.8127130.556.60000127.8
100D31.4Very low30.3Very low145 Ų145132.2 Ų132.278%0.77578%0.776SS**  trans84.4122.9130.1-80.8-11.2000127.5
101V28.8Very low30.4Very low126 Ų126128.4 Ų128.476%0.76477%0.768SS**  83.9141.1127.8168.50000123.2
102A30.7Very low30.6Very low84 Ų84130.7 Ų130.769%0.69477%0.773SS**  trans85.710915800000121.8
103D28.9Very low30.8Very low167 Ų167122.9 Ų122.989%0.89377%0.767SS**  47.2153.4116.7-111.5-39.8000123.4
104G29.1Very low31.7Very low64 Ų64126.1 Ų126.166%0.6677%0.772SS**  trans128.857.7152.500000121.6
105V29.5Very low32.2Very low129 Ų129124.9 Ų124.978%0.78277%0.768SS**  39.2125.6125.5177.70000121.3
106Y24.3Very low32.3Very low201 Ų201126.9 Ų126.979%0.78877%0.77SS**  trans97.8131.4146.2-110.1-147.3000124.6
107L27.8Very low32.6Very low124 Ų124127 Ų12765%0.64977%0.771SS**  trans59.1110.9148.2-61.6178.5000124.6
108S28.8Very low33.3Very low95 Ų95122.5 Ų122.566%0.66478%0.775SS**  0.7162.3119.461.20000121.8
109P51.6Low33.4Very low111 Ų111121.8 Ų121.872%0.72178%0.781SS**  cis-144.4171.9-31.739.9-22000116.8
110S31.2Very low33.9Very low118 Ų118123.1 Ų123.183%0.82579%0.789SS**  trans77.6142.1148.2-700000124.4
111A33.2Very low34.3Very low87 Ų87120.3 Ų120.372%0.71979%0.786SS**  trans93.6107.614600000122.1
112T35.9Very low34.6Very low139 Ų139119.9 Ų119.985%0.85378%0.783SS**  trans35.2137.8136.752.60000123.1
113G35.2Very low34.7Very low74 Ų74127 Ų12776%0.76379%0.792SS**  trans-71.5-163.9163.200000114.4
114E47.9Very low34.8Very low203 Ų203125.8 Ų125.895%0.94979%0.791SS**  cis-164.8178.813.1-153.9-167.5137.400110
115G40.4Very low34.8Very low64 Ų64126 Ų12666%0.6679%0.793SS**  trans126.9146.8142.600000121
116R30.6Very low34.8Very low263 Ų263128.1 Ų128.199%0.99280%0.795SS**  trans-155.7164.1168.2-55.7-177-173.7164.13.4106.6
117G33.5Very low35.1Very low81 Ų81125.5 Ų125.584%0.83579%0.793SS**  cis-179.6-176.2-0.400000108.4
118G40.8Very low35.1Very low92 Ų92130.2 Ų130.295%0.94880%0.803SS**  trans167.7-161.217700000118.1
119G31.2Very low35Very low72 Ų72137.1 Ų137.174%0.74281%0.814SS**  trans164.4-176.2-179.800000111.7
120V41.3Very low34.1Very low146 Ų146136.8 Ų136.889%0.88581%0.81SS**  cis-157.3156.5-5.2-152.80000109.8
121A39.7Very low34.3Very low86 Ų86139.4 Ų139.471%0.71181%0.809SS**  trans65157.8153.400000122.2
122T34.2Very low34.2Very low117 Ų117139.5 Ų139.572%0.71881%0.81SS**  -158.8144.2-59-100000114.2
123R34.3Very low34.2Very low234 Ų234136.4 Ų136.488%0.88381%0.805SS**  trans67.4155.2160.9-53.8-175.5-177-1680.4117.4
124T29.8Very low33.9Very low141 Ų141142.9 Ų142.987%0.86581%0.807SS**  cis-133.6165.6-045.30000109.4
125G29.5Very low32.9Very low68 Ų68139 Ų13970%0.70180%0.8SS**  cis-179.7171.9-1.700000112.1
126E30.1Very low32.5Very low174 Ų174145.3 Ų145.381%0.81380%0.803SS**  trans61.6139.1175.9-82.1-169.1118.400118.6
127L29.3Very low32.7Very low146 Ų146137 Ų13776%0.76479%0.786SS**  cis-127.5105.4-7.6-81.3159.2000108.4
128R28.3Very low32.4Very low224 Ų224141.6 Ų141.685%0.84579%0.785SS**  56.291.196.8-77.7-161.6159.4122.1-0.7119.1
129R27.2Very low31.9Very low239 Ų239143.1 Ų143.190%0.90278%0.781SS**  trans-150.8110.5139-152.2-175.1-169.6-160.44.8106.7
130V32.4Very low32.3Very low104 Ų104144.7 Ų144.763%0.6378%0.781SS**  73.5120.851.8179.60000111.7
131E36.2Very low31.9Very low173 Ų173143.3 Ų143.381%0.80878%0.778SS**  cis-162.4169.3-16.2-158.5144.6141.400112.4
132A31Very low31.3Very low89 Ų89142.6 Ų142.674%0.73678%0.778SS**  trans5120.2165.900000122.4
133G34.6Very low31Very low74 Ų74143.3 Ų143.376%0.76378%0.783SS**  6595108.100000120.1
134R30.8Very low30.7Very low210 Ų210143.8 Ų143.879%0.79279%0.785SS**  trans-168165.5156.3-107.8166.9-177.1-121.4-0.9109.8R136R134-R136 PolarHBondContact O-N 3.12Å
135P26.2Very low31.2Very low123 Ų123142.5 Ų142.580%0.79978%0.779SS**SBendtrans-71.895170.629.8-33.1000110
136R31.2Very low32Very low195 Ų195150.1 Ų150.174%0.73679%0.786SS**  trans-158.2145169.1-93.4116.3-167.4-125-1.8110R134R134-R136 PolarHBondContact O-N 3.12Å
137S35.4Very low32.5Very low89 Ų89147.6 Ų147.662%0.62279%0.785SS**  trans38.4141.2130.1-41.90000119.8
138H27.1Very low32.5Very low177 Ų177146.4 Ų146.482%0.81978%0.78SS**  cis-142.3146.834.3-74.6-97.4000114.6
139S31.2Very low33.2Very low125 Ų125146.4 Ų146.487%0.87478%0.78SS**  trans-77.2113.4157-58.30000110.4
140S38.5Very low33.3Very low104 Ų104142.5 Ų142.573%0.72778%0.777SS**  trans168.3114.8148.654.10000108.6
141S33.8Very low33.3Very low118 Ų118144.7 Ų144.783%0.82578%0.783SS**SBendcis-145.5136.92.4-57.50000107.8
142G26.9Very low33.1Very low70 Ų70139.7 Ų139.772%0.72278%0.778SS**  cis90114.615.300000110.1
143T28.3Very low33.3Very low133 Ų133141.5 Ų141.582%0.81678%0.78SS**  cis-134.7129.18.446.70000110
144R26.3Very low33.1Very low243 Ų243145 Ų14592%0.91779%0.787SS**  66.8150.591.3-86.4-157.5-178.5-1301.9115.8
145P41.7Very low33Very low114 Ų114138.8 Ų138.874%0.7479%0.788SS**  trans-105.2-163.9-148.142.7-38.3000115
146R45.1Very low33.3Very low228 Ų228144.4 Ų144.486%0.8679%0.793SS**  trans-32.5151.5166-79.3-173.1172.6-160-0.5113.8
147P40.1Very low33.6Very low122 Ų122139.6 Ų139.679%0.79279%0.787SS**  -131.4166.5117.738.6-31.9000114
148D30.4Very low33.1Very low121 Ų121146.2 Ų146.265%0.64780%0.799SS**  trans-125.1136.9158.6-144.312.1000104.3
149W43.7Very low33.6Very low224 Ų224143.2 Ų143.285%0.84880%0.797SS**  trans39.5131.1172-44.690000121.3
150D29Very low33.9Very low156 Ų156142.7 Ų142.783%0.83479%0.791SS**  175.5-172.8100.3-133.6-44.5000113.8
151I31.2Very low33.5Very low150 Ų150142.3 Ų142.377%0.76979%0.788SS**  trans-113.9154.4-168.1-63.7174.1000111.1V153I151-V153 HydrophobicContact CG2-CG2 4.37Å
152G31.9Very low33.9Very low68 Ų68144.8 Ų144.870%0.70179%0.791SS**  cis154.4-150.9-300000112.9
153V35.1Very low34.1Very low128 Ų128153 Ų15378%0.77680%0.801SS**  trans56.694.9166.7-170.80000119.2I151I151-V153 HydrophobicContact CG2-CG2 4.37Å
154T31.1Very low34.2Very low148 Ų148149.5 Ų149.591%0.90879%0.791SS**  176.3154.6118.729.40000110.7
155G28.8Very low34.4Very low79 Ų79149.7 Ų149.781%0.81479%0.792SS**  trans101.291.6166.900000117.6
156R33.7Very low33.9Very low241 Ų241147.6 Ų147.691%0.90979%0.79SS**  trans-69.9162.6149.5-101.1-173.4172.1-143.20.7109.2
157P36Very low33.4Very low94 Ų94142.6 Ų142.661%0.6179%0.791SS**  cis-139.4-165.520.232.6-8.2000115.4
158R26Very low33Very low228 Ų228145.7 Ų145.786%0.8679%0.794SS**  trans81.195.7160.3-57.8171.5-174.6148.61.1119.1
159S36.5Very low33.1Very low113 Ų113147.7 Ų147.779%0.7980%0.802SS**  -71.8150.4119.650.40000108.4
160P37.6Very low32.4Very low114 Ų114141.7 Ų141.774%0.7479%0.794SS**  -151.6161.865.642.1-22.6000118.8
161S31.2Very low32.5Very low96 Ų96137.7 Ų137.767%0.67179%0.79SS**  trans13.6130.7133.2-160.50000122
162L41.4Very low32.6Very low170 Ų170136.6 Ų136.689%0.8979%0.79SS**  trans59.8128.8142.5-69.7172.2000122.6
163R30.9Very low32.8Very low243 Ų243140.6 Ų140.692%0.91780%0.795SS**  trans-161.8137.4149.6-172.1179.6-65.1-140.72109.4
164G31.1Very low32.7Very low59 Ų59144.1 Ų144.161%0.60880%0.795SS**  cis130.8127.8-12.200000114.5
165R29.8Very low32.5Very low248 Ų248145.3 Ų145.394%0.93679%0.791SS**  trans92141.5-176.2-60.4175.7178.4-106.55.5115.7
166G31.6Very low32.5Very low69 Ų69150.6 Ų150.671%0.71179%0.791SS**  cis106.4103.1-23.300000119.4
167S33.8Very low32.6Very low124 Ų124144.8 Ų144.887%0.86779%0.785SS**  trans-179.3161.8149.3-84.90000107.1
168E32.8Very low32.1Very low186 Ų186147.4 Ų147.487%0.86979%0.793SS**  cis-136.6167.822.567.1-149.9137.200111.1
169M31Very low32.6Very low164 Ų164141.8 Ų141.881%0.80879%0.789SS**SBendcis-148.1158.44.875.198.585.200108
170S30Very low32.8Very low97 Ų97141.8 Ų141.868%0.67879%0.786SS**  cis-149.5146.83.8-91.10000111.2
171G31.2Very low33Very low73 Ų73144.1 Ų144.175%0.75379%0.789SS**  trans75.1144161.800000117.3
172T34Very low33.5Very low127 Ų127145 Ų14578%0.77979%0.792SS**  cis-151.1139.8-7.947.30000111
173L35.4Very low33.4Very low151 Ų151141.9 Ų141.979%0.79179%0.785SS**  trans52.2132.9149.9-81.377.4000122.8
174Y33.4Very low33.2Very low202 Ų202135.3 Ų135.379%0.79278%0.782SS**  trans66101.7144.1-82.2-101000123.9
175Q26.5Very low33.6Very low174 Ų174136.9 Ų136.981%0.81379%0.79SS**  17.5135.4118.3-166.8169.4-13.600122
176K27.9Very low34.7Very low189 Ų189129.9 Ų129.982%0.82278%0.776SS**  trans-26.8149156.7-110.5-179.9-178.4179.80116.2
177P35.6Very low34.8Very low120 Ų120134.8 Ų134.878%0.77978%0.78SS**  -145.9-163.885.542.4-26.4000116.3
178L25.7Very low34.7Very low148 Ų148133.1 Ų133.178%0.77577%0.774SS**  trans-84165.5-174.7-57.8110.8000114.2
179S37.4Very low34.5Very low111 Ų111135.2 Ų135.278%0.77677%0.774SS**  trans72.3170.2142.677.10000116.2
180P40.3Very low34.3Very low112 Ų112135.6 Ų135.673%0.72777%0.774SS**  cis-138.2175.79.345.1-28.2000118
181M41.3Very low35Very low163 Ų163136.6 Ų136.680%0.80378%0.778SS**  trans-67.8153.4152.8-122-86.4-163.700110.2S183M181-S183 PolarHBondContact SD-N 2.92Å; M181-S183 VanDerWaalsContact SD-N 3.44Å
182P42.3Very low34.8Very low115 Ų115136.2 Ų136.275%0.74777%0.774SS**  trans-119.8114.6136.832.6-24.9000109
183S38.5Very low34.4Very low105 Ų105136.8 Ų136.873%0.73478%0.777SS**  cis73.1101.445.7-162.80000113.8M181M181-S183 PolarHBondContact SD-N 2.92Å; M181-S183 VanDerWaalsContact SD-N 3.44Å
184A28.3Very low34.1Very low104 Ų104136.6 Ų136.686%0.8678%0.776SS**  trans-146.3125.3153.800000109.5
185A38.6Very low33.8Very low93 Ų93134.5 Ų134.577%0.76978%0.778SS**  trans-118.7-173.2160.600000105.7
186P52.9Low33.8Very low100 Ų100130.2 Ų130.265%0.64977%0.773SS**  cis-124.9-168.910.316.713000111.8
187H33.4Very low33.9Very low172 Ų172126.6 Ų126.680%0.79677%0.771SS**  cis-160.8152.741.2-83.2-86.5000115.1
188A32.5Very low33.5Very low89 Ų89130 Ų13074%0.73678%0.776SS**  trans50.4148.6138.100000121.9
189R27.9Very low33.7Very low230 Ų230128 Ų12887%0.86877%0.774SS**  cis-161134.1-10-107.2174.9177.8178.9-1.1105.5
190Q27.9Very low33.4Very low172 Ų172129.4 Ų129.480%0.80478%0.778SS**  51136.891.5-68.8-73.4-1.700115.9
191P43.8Very low32.8Very low119 Ų119134 Ų13477%0.77378%0.783SS**  cis-111.9-155.1-12.443.2-29.4000111
192G26.4Very low32.2Very low65 Ų65132.7 Ų132.767%0.6778%0.778SS**  cis132.6160.6-15.300000116.4
193V25.2Very low31.8Very low138 Ų138132.2 Ų132.284%0.83678%0.778SS**  trans89.3153.1166.4-162.20000118.9
194L29.2Very low32.3Very low147 Ų147132.7 Ų132.777%0.7778%0.778SS**  trans79.8144.9175.3-55-174.8000118.7
195L28Very low32.5Very low158 Ų158133.8 Ų133.883%0.82778%0.78SS**  cis90.3156.230.3-100.4167.6000115.7
196A27Very low32.2Very low85 Ų85133 Ų13370%0.70278%0.781SS**  trans73.8153.1172.800000117.1
197S30.4Very low31.4Very low112 Ų112135.1 Ų135.178%0.78379%0.791SS**  cis-167170-19.8-100.90000111.8
198E26.7Very low32.1Very low191 Ų191132.6 Ų132.689%0.89379%0.79SS**  trans-76.4137.6157.5-58.4154.1109.400111.4
199S30Very low32.5Very low106 Ų106139.2 Ų139.274%0.74180%0.796SS**  trans-177.4112.8156.753.90000109.3
200V31.3Very low32.7Very low141 Ų141132.4 Ų132.486%0.85579%0.789SS**  74.290.678177.60000114.4
201Y27.1Very low33Very low210 Ų210129.5 Ų129.582%0.82478%0.783SS**  51.7140.8123.7-119.5-132.1000123.7
202L29.8Very low32.4Very low134 Ų134130.6 Ų130.670%0.70278%0.782SS**  trans86.1101156.8-57.7173.4000122.1
203S33.9Very low32.6Very low106 Ų106134.6 Ų134.674%0.74178%0.784SS**  64.9173.7116.2-53.80000120.1
204P48.8Very low34Very low115 Ų115133 Ų13375%0.74778%0.776SS**  cis-131176-3.643.1-27.5000116.6
205S31.9Very low34.3Very low127 Ų127134.1 Ų134.189%0.88878%0.777SS**  trans28.7143.3144-53.70000124.1
206G33.2Very low34.5Very low77 Ų77132.9 Ų132.979%0.79477%0.772SS**  trans170.6107.5151.800000117
207V36Very low34.7Very low143 Ų143134.5 Ų134.587%0.86777%0.773SS**  trans-115.6152169.7178.90000109.4
208P48Very low34.7Very low119 Ų119135.4 Ų135.477%0.77377%0.774SS**  trans-141.8168.8143.939.1-26.4000115.1
209R40.5Very low34.7Very low229 Ų229136 Ų13686%0.86477%0.769SS**  cis177.4135.4-35.3-179.6178-174.4177.12.8109.5
210A32.1Very low34.6Very low86 Ų86138.4 Ų138.471%0.71177%0.773SS**  trans-164.3114.3149.800000108.4
211T34Very low34.6Very low111 Ų111137.6 Ų137.668%0.68177%0.768SS**  57.2135.791.829.30000115.4
212D30.2Very low35.5Very low143 Ų143132.6 Ų132.677%0.76576%0.761SS**  cis-144.6179.821.2-140-18.2000115.5
213E31.6Very low35.4Very low149 Ų149136.5 Ų136.570%0.69677%0.767SS**  trans-53.7-180179.6-74-71.7109.400117.2
214P54.8Low35.1Very low103 Ų103136.4 Ų136.467%0.66976%0.758SS**  cis-135.5163.96.411.717000119.5
215E35.4Very low34.1Very low172 Ų172139.7 Ų139.780%0.80476%0.76SS**  trans12.4154.1147.242.7-179.2150.300122.9
216D32.8Very low34.8Very low132 Ų132138.4 Ų138.471%0.70675%0.749SS**  cis-153.4167.717.6-17014.3000112.7
217T30.2Very low34.6Very low119 Ų119140.7 Ų140.773%0.7375%0.748SS**  trans72.9174.8170.177.70000116.8
218T30Very low34.3Very low131 Ų131140.8 Ų140.880%0.80475%0.749SS**  cis-152.1-168.211.4-162.30000114
219Y27.1Very low33.3Very low204 Ų204138 Ų13880%0.874%0.741SS**  trans-105.7156.9-174.3-92.3-123.9000115.5
220L27.9Very low32.8Very low156 Ų156136.2 Ų136.282%0.81774%0.742SS**  trans72.7119.5140.8-77.5168.8000125.4
221V31Very low32.9Very low123 Ų123135.7 Ų135.775%0.74573%0.733SS**  trans-36152.2134.1161.80000114
222P46.2Very low32.6Very low106 Ų106137.8 Ų137.869%0.68874%0.74SS**  cis-144.2-171.826.627.5-0.2000117.7
223R27.7Very low32.8Very low215 Ų215138.4 Ų138.481%0.81174%0.744SS**  133.4126.9105.5-142.6166.7-167.4150.97.2121.5
224D28.8Very low32.9Very low104 Ų104136.5 Ų136.556%0.55675%0.745SS**  trans24.5125.5147.2-57.9-51.4000125
225K27.2Very low31.8Very low184 Ų184141.9 Ų141.980%0.875%0.754SS**  72.2170.7127.8-70.7176.8-172.1172.90120.5
226P45.6Very low31.6Very low101 Ų101137.6 Ų137.666%0.65674%0.736SS**  cis-144.4176.9-39.538.8-20.4000117.6
227T29.6Very low31.9Very low125 Ų125136.7 Ų136.777%0.76774%0.735SS**  trans72.6149.6142.949.40000125.2
228V29Very low32.5Very low145 Ų145135.8 Ų135.888%0.87973%0.731SS**  trans72.1140165.8-160.20000116.8
229G27.5Very low32.6Very low59 Ų59139.6 Ų139.661%0.60874%0.737SS**  cis149.4150.5-11.300000114.4
230H30.1Very low32.7Very low192 Ų192133 Ų13389%0.88973%0.731SS**  trans65.9158.6177.4-85.253000116.7
231S33.5Very low32.9Very low76 Ų76132.3 Ų132.353%0.53173%0.733SS.*  cis-168.3173.8-23.950.80000111.8
232D27.9Very low33.3Very low154 Ų154132.7 Ų132.782%0.82474%0.738SS**  trans80.3149.3154-49.8-46.9000122.9
233D34.5Very low32.6Very low157 Ų157135.7 Ų135.784%0.8475%0.748SS**  trans-94.8166.8-173.7-71.1-75.3000114.8
234C33.9Very low32.8Very low108 Ų108128.9 Ų128.973%0.7374%0.737SS**  trans178.5118136.6-97.60000115.6
235Y31.5Very low32.8Very low217 Ų217129 Ų12985%0.85175%0.746SS**  trans51.8-169.7151.9-56.2-72.4000118.7
236L31.3Very low32.9Very low82 Ų82126.8 Ų126.843%0.42974%0.743SS.*  cis-146.2165.4-14-140-175.4000108.7
237V40.3Very low32.1Very low113 Ų113129.5 Ų129.569%0.68575%0.752SS**  trans-155.3132171.459.40000113.9
238P41.9Very low32.2Very low100 Ų100129.1 Ų129.165%0.64975%0.749SS**  trans-114.5-170.5176.241.3-33.5000114.6
239K31.7Very low32.1Very low211 Ų211132.8 Ų132.892%0.91775%0.749SS**  trans-122.7146.1171.1-85.7-174.5174.9179.30112.1
240G30Very low32.2Very low65 Ų65138.5 Ų138.567%0.6776%0.76SS**  110.5109.2129.600000121.3
241T32.4Very low32.9Very low141 Ų141134 Ų13487%0.86575%0.75SS**  trans57.9139.3145.145.10000120.6
242P39.4Very low33Very low131 Ų131136.3 Ų136.385%0.85176%0.763SS**  -148.9-164.683.941.4-21.9000116.6
243L30.4Very low33.4Very low170 Ų170136 Ų13689%0.8977%0.767SS**  trans-78.8176-170.4-68.6163.6000114.9
244A31.6Very low33.4Very low71 Ų71131.9 Ų131.959%0.58776%0.761SS**  cis-120.6-130.92.900000112.2
245S29.5Very low33.3Very low108 Ų108130.3 Ų130.376%0.75576%0.764SS**  cis-159.2162.511.3-83.30000109.8
246D28.8Very low33.1Very low136 Ų136123.4 Ų123.473%0.72776%0.758SS**  cis-170.2172.9-26.7-96.5-46.5000109.7
247D29.4Very low33.1Very low158 Ų158126.1 Ų126.185%0.84578%0.778SS**  trans76.5153.7163.3-128-25.5000121.4
248V31.8Very low32.6Very low117 Ų117125.4 Ų125.471%0.70978%0.778SS**  trans74.788.8173.5-164.70000120.1
249Y26.7Very low31.9Very low223 Ų223124.9 Ų124.988%0.87578%0.777SS**  trans65.6128.7142.2-91.6-98.5000123.5
250Q30.6Very low31.8Very low179 Ų179120.8 Ų120.884%0.83677%0.769SS**  trans-111.5136.6158.3-96.1-173.2-16.200112.2
251S42.9Very low31.6Very low97 Ų97124.6 Ų124.668%0.67877%0.774SS**  trans19.8134.8150.758.50000122.2
252P36.5Very low31.4Very low125 Ų125123.6 Ų123.681%0.81277%0.771SS**  trans-83.7131.816433.7-32000113.3
253T36.9Very low30.8Very low148 Ų148121 Ų12191%0.90876%0.761SS**  trans-145.2142.7149.8-67.40000107.2
254G34.8Very low30.6Very low69 Ų69120.6 Ų120.671%0.71176%0.76SS**  trans100109.9-158.600000109.4
255G31.5Very low30.3Very low76 Ų76120.3 Ų120.378%0.78476%0.764SS**  cis98.2142.41300000110.9V257G255-V257 PolarHBondContact O-N 3.28Å
256G26.8Very low30.2Very low72 Ų72121.7 Ų121.774%0.74277%0.768SS**SBendtrans-70.6126.9171.500000109.9
257V30.8Very low30.1Very low139 Ų139121 Ų12184%0.84277%0.774SS**  trans61.4144.3171.8-540000117.1G255G255-V257 PolarHBondContact O-N 3.28Å
258S29.6Very low29.9Very low98 Ų98116.9 Ų116.969%0.68577%0.769SS**  cis-160.2138.1-19.7-111.80000112.5
259S27.7Very low29.8Very low89 Ų89119.1 Ų119.162%0.62278%0.775SS**  trans58.6120130.4-48.10000122.2
260T29.6Very low29.7Very low124 Ų124113.8 Ų113.876%0.76177%0.77SS**  67.3152.9129.5600000120.6
261L25.7Very low29.5Very low145 Ų145111.5 Ų111.576%0.75977%0.768SS**  cis-170.6164.1-21.3-111.3170.3000107.4
262C27.7Very low29.1Very low120 Ų120112.8 Ų112.881%0.81177%0.772SS**  trans65.2166.3162.2-65.40000117.3
263A26.8Very low29.2Very low78 Ų78112.7 Ų112.765%0.64577%0.772SS**  cis-166.9167.8-33.200000109.7
264N26.4Very low28.8Very low160 Ų160113.8 Ų113.886%0.85677%0.766SS**  trans50.1112.1156.5-63.3-2.3000120.6
265G25.7Very low29.6Very low65 Ų65115.3 Ų115.367%0.6776%0.764SS**  91.6121.488.300000120.4
266T27.1Very low30.2Very low137 Ų137121.7 Ų121.784%0.8477%0.77SS**  trans72.7132.6148.120.30000121.9
267S26.8Very low30.1Very low122 Ų122123.4 Ų123.485%0.85378%0.777SS**  trans71.1148.1147.4-55.30000118.9
268G26.5Very low30Very low72 Ų72122 Ų12274%0.74277%0.773SS**  trans179.2-34.1170.800000120.8
269I29.2Very low30Very low163 Ų163126.2 Ų126.284%0.83678%0.782SS**  trans45103.1166.1-61.1179.5000117.9
270S24.9Very low30.1Very low111 Ų111128 Ų12878%0.77679%0.785SS**  trans83.1170.5133.4-154.70000122.3
271V26Very low30.2Very low132 Ų132127.7 Ų127.780%0.878%0.783SS**  trans85.399.1166.4-168.20000118.2
272T35.1Very low31.4Very low124 Ų124126.6 Ų126.676%0.76179%0.785SS**  trans-62.5164.615643.40000111.6
273P37.1Very low31.6Very low123 Ų123124.3 Ų124.380%0.79978%0.781SS**  cis-151.6-161.136.641.5-17000117.4
274Q29.9Very low31.8Very low171 Ų171126.4 Ų126.480%0.79979%0.786SS**  trans-57.8177160.7-76.5-92.9-5200114
275P50.7Low32.1Very low101 Ų101128.4 Ų128.466%0.65678%0.783SS**  cis-135.4177.5-14.328.5-5.7000116.1
276K44.1Very low32.3Very low210 Ų210133.4 Ų133.491%0.91379%0.789SS**  trans30.5121.1151.4-74.9-179173.7175.40121.5
277A25.2Very low32.3Very low108 Ų108132.7 Ų132.789%0.89378%0.784SS**  trans-146.1176.2154.600000111.5
278S29Very low33.8Very low109 Ų109132.3 Ų132.376%0.76278%0.779SS**  trans-149.9172-171.755.20000113.1
279Q29.9Very low34.4Very low186 Ų186134.6 Ų134.687%0.86978%0.778SS**  trans92.9158.8177.1-61.5-172.5-56.300117.3
280D28.9Very low35.9Very low127 Ų127132.2 Ų132.268%0.67977%0.773SS**  cis-172.9159.5-42-149.7-18.9000111.6
281T32.8Very low36.2Very low118 Ų118133.7 Ų133.772%0.72478%0.777SS**  trans60.9170.6155.943.30000121.7
282P50.6Low36.6Very low122 Ų122130.4 Ų130.479%0.79277%0.77SS**  cis-138.9158.5-22.728.9-8000118
283G31.5Very low36.6Very low72 Ų72129.3 Ų129.374%0.74277%0.768SS**  trans87.7160.1141.700000120.7
284V31.5Very low36.4Very low121 Ų121130.1 Ų130.173%0.73377%0.766SS**  cis-159.2156.2-12.1-155.40000110.5
285Y31.1Very low36.5Very low202 Ų202129.4 Ų129.479%0.79277%0.766SS**  trans71146.2164.4-71.7-64.6000119.1
286Q29.8Very low35.6Very low171 Ų171131.6 Ų131.680%0.79977%0.768SS**  cis-154.8168.3-6.4-157.6159.526.600113.1
287T28.1Very low34.8Very low121 Ų121131.8 Ų131.874%0.74276%0.762SS**  trans-95.1173.8-174.83.10000115
288P57.1Low35.6Very low114 Ų114132.4 Ų132.474%0.7476%0.757SS**  -136150.850.926.7-2.2000117.5
289T40.3Very low37.2Very low120 Ų120133.2 Ų133.274%0.73676%0.76SS**  62.614775.223.70000117.4
290P61.3Low37.2Very low113 Ų113129.3 Ų129.373%0.73476%0.759SS**  cis-135.7-176.611.741.7-22.6000119.2
291V30.4Very low37.3Very low142 Ų142129.8 Ų129.886%0.86177%0.767SS**  trans81.2142.9173.8-173.10000115.6
292G33.8Very low37.1Very low63 Ų63129.9 Ų129.965%0.64977%0.768SS**  cis134.5155.8-14.900000115.6
293S35.1Very low36.1Very low102 Ų102131.5 Ų131.571%0.71377%0.769SS**  cis-176.1116.6-19.147.50000115.3
294N33.9Very low36Very low140 Ų140131.7 Ų131.775%0.74976%0.763SS**  trans74.4157.8139.9-72.1-66.1000121.1
295L32.2Very low35.8Very low156 Ų156134.1 Ų134.182%0.81777%0.766SS**  cis-146.8140.941.1-77159.2000118.1
296H30.2Very low35.7Very low147 Ų147133.2 Ų133.268%0.68177%0.769SS**  trans42.8139.3137.6-89.5-123.4000123.9
297R28.9Very low35.6Very low213 Ų213133.7 Ų133.780%0.80477%0.771SS**  cis78.6132.730.7-176.1178.7-84.8-170.3-5.2113.8
298P41.4Very low36.5Very low121 Ų121133.2 Ų133.279%0.78677%0.77SS**  cis-135.7-175.833.623.93.3000118
299P62Low35.1Very low127 Ų127132.8 Ų132.883%0.82577%0.77SS**  trans-110.8173.5-173.641.9-34.4000116.7
300A29.4Very low34.5Very low103 Ų103131.5 Ų131.585%0.85177%0.766SS**  trans-150.5175.5169.600000112.7
301T31.3Very low33Very low137 Ų137133.7 Ų133.784%0.8477%0.771SS**  trans-122.1173.5-162.9-46.20000112.6
302V29.8Very low32.8Very low121 Ų121133.7 Ų133.773%0.73377%0.771SS**  trans108.1134.4154.2-176.70000118.8
303L30.1Very low32.5Very low155 Ų155135.6 Ų135.681%0.81277%0.774SS**  trans20.7126.3160.9-63.9164.3000123.5
304A27.5Very low33.1Very low76 Ų76135.8 Ų135.863%0.62877%0.773SS**  24.8142.6122.200000123.6
305H29.3Very low32.9Very low173 Ų173138.2 Ų138.280%0.80178%0.78SS**  trans84.1129.4153.6-67.7-61.8000121.7
306Q27.3Very low32.6Very low182 Ų182135.3 Ų135.385%0.8578%0.779SS**  trans83.2139146.8-71.8175.575.600121.8
307H28.2Very low32.5Very low182 Ų182133.6 Ų133.684%0.84378%0.783SS**  trans-65.5175.4160.8-60.5-80.7000110.5
308P47.2Very low33.6Very low110 Ų110129.2 Ų129.271%0.71478%0.782SS**  cis-153.2-164.628.742.6-18.7000118.2
309S26.7Very low33.2Very low106 Ų106134.6 Ų134.674%0.74179%0.787SS**  trans74.1173153.1-60.70000119.7
310S27.9Very low31.6Very low93 Ų93134.7 Ų134.765%0.6579%0.785SS**  -178.8166.1-71.256.60000111.4
311L30Very low31.6Very low159 Ų159136.7 Ų136.783%0.83278%0.781SS**  trans68.2128.6163.6-58.8167.4000120.4
312T27.1Very low31.7Very low141 Ų141137.5 Ų137.587%0.86578%0.779SS**  172.5160109.9-70.10000112.4
313S27.2Very low31.6Very low104 Ų104141.7 Ų141.773%0.72779%0.788SS**  trans-105.1-156.3-175.267.40000112.1
314P48.6Very low31.4Very low106 Ų106137.7 Ų137.769%0.68878%0.784SS**  cis-150.7-1793744.4-22.2000120
315Q28.1Very low31.6Very low190 Ų190142.2 Ų142.289%0.88880%0.797SS**  trans67.1159.7151.3-86.9-173.11.300120.8
316A27.6Very low33Very low96 Ų96139.1 Ų139.179%0.79379%0.792SS**  cis-139.2-167.7300000113
317S26.8Very low34Very low110 Ų110135.5 Ų135.577%0.76979%0.785SS**  trans-133.9157.1-162.464.70000118.2
318P53.3Low34.1Very low122 Ų122133.9 Ų133.979%0.79278%0.782SS**  trans-112.9-178.5163.141-32000113.6
319R31.7Very low33.3Very low233 Ų233133.2 Ų133.288%0.87978%0.78SS**  trans-163.6-175.7-179.7-111.6164.9-173.8-176.91.2114.8
320T27.9Very low33.5Very low129 Ų129133 Ų13379%0.79179%0.785SS**  trans89.6146.217174.70000118.2
321L29.3Very low33.7Very low145 Ų145133.7 Ų133.776%0.75980%0.796SS**  cis-159.4128.5-18.7-111.8169.5000113.8
322L34.4Very low33.7Very low154 Ų154129.4 Ų129.481%0.80679%0.79SS**  trans26.7134146.9-78.1174.4000126
323K28.3Very low33.9Very low209 Ų209135.2 Ų135.291%0.90980%0.796SS**  124131.9115.5-145.2164.6-175.1175.10119.2
324G25.5Very low33.9Very low72 Ų72134 Ų13474%0.74280%0.8SS**  trans148.6130.5157.200000118.3
325L30.5Very low33.3Very low170 Ų170138.7 Ų138.789%0.8981%0.81SS**  trans-162.5169.6174.2-88.4175.1000108.5
326P58.7Low34.4Very low108 Ų108135.7 Ų135.770%0.70181%0.807SS**  cis-121.2-151.9-34.141.1-22.7000109.5
327P49.2Very low34.4Very low107 Ų107134.9 Ų134.970%0.69581%0.808SS**  -150167.65842.7-21.8000118.6
328N30.5Very low34.6Very low147 Ų147134.8 Ų134.879%0.78681%0.813SS**  trans36.8151.2138.2-64.53.1000123.4
329S30.1Very low33.4Very low96 Ų96133.9 Ų133.967%0.67182%0.816SS**  cis-175.5155.5-9.1-94.40000111.6
330A31Very low33.5Very low103 Ų103127.4 Ų127.485%0.85181%0.807SS**  trans49.5158.5145.300000121.4
331A31.6Very low33.8Very low106 Ų106129.7 Ų129.788%0.87681%0.808SS**  cis-168.7170.7-19.500000106.1
332G30.3Very low33.7Very low69 Ų69134.4 Ų134.471%0.71182%0.816SS**  cis156.9-175.9-0.200000110.4
333R31.7Very low33.5Very low263 Ų263130.8 Ų130.899%0.99282%0.816SS**  trans76.6139.4161-150.6-179.2-150.8-106.74.3118.9
334G27.7Very low33.8Very low79 Ų79126.3 Ų126.381%0.81481%0.811SS**  trans135.48015400000120.1
335K34.9Very low34.3Very low205 Ų205127.2 Ų127.289%0.89181%0.806SS**  trans-88.2175.8157.5-94.9-174.9-179.8-178.60109.9
336P51Low34.5Very low127 Ų127128.5 Ų128.583%0.82580%0.804SS**  cis-134.7-166.7-3138.3-20.1000112.1
337G27.9Very low33.4Very low78 Ų78128.8 Ų128.880%0.80481%0.809SS**  trans175.5134159.900000114.5
338A31.2Very low32.6Very low108 Ų108131.7 Ų131.789%0.89382%0.817SS**  trans-150.8143.8176.400000111.3
339A28.5Very low32.6Very low103 Ų103136.1 Ų136.185%0.85182%0.822SS**  trans-177.7149.8154.100000111.7
340S34.1Very low32.7Very low97 Ų97136.1 Ų136.168%0.67883%0.828SS**  trans-84.8157.4163.1-60.50000110.8
341H32.4Very low32.7Very low177 Ų177134.6 Ų134.682%0.81982%0.823SS**  164.8139.8114.3-90.1-65.8000115.8
342R29.1Very low32.8Very low245 Ų245138.3 Ų138.393%0.92582%0.822SS**  trans25.5124.6132.7-177.2-161.8-81.5-150.7-1.9118.9
343G28.6Very low33Very low78 Ų78140.3 Ų140.380%0.80482%0.821SS**  trans-173142.9157.500000114.1
344S35.5Very low32.9Very low115 Ų115139.3 Ų139.380%0.80482%0.817SS**  trans-149.1145.7178.4174.20000111.3
345S35.6Very low33.2Very low91 Ų91139.6 Ų139.664%0.63681%0.812SS**  trans-163.4150.3160.6-30.20000109.5
346F34.3Very low33.5Very low197 Ų197136.1 Ų136.186%0.86481%0.81SS**  cis-122.8-112.510.2-68.1-87.5000113.8
347S36.3Very low32.6Very low114 Ų114133.7 Ų133.780%0.79781%0.808SS**  trans-171.1-164.2-166.5-80.80000111.6
348I31.9Very low32.9Very low167 Ų167135.2 Ų135.286%0.85681%0.806SS**  trans87.3127.6174-54.9171.3000113.6
349R30.4Very low33.3Very low240 Ų240136.1 Ų136.191%0.90680%0.803SS**  cis-161.6169.5-17-160.6175.7-162.8-163.85.9108.9
350A33.3Very low33.6Very low96 Ų96137.7 Ų137.779%0.79380%0.797SS**  trans-57.5160.9178.600000115.1
351G30.3Very low34Very low72 Ų72142.2 Ų142.274%0.74281%0.805SS**  cis125.7128-0.500000113.7
352Q34.8Very low34.4Very low183 Ų183138.6 Ų138.686%0.85581%0.805SS**  trans-162.8147.5177.7-99.5-79.8-82.500113.1
353V33.3Very low35.2Very low112 Ų112138.3 Ų138.368%0.67980%0.804SS**  trans68.8102.2150.8-179.10000121.7
354R30.2Very low36Very low241 Ų241144 Ų14491%0.90981%0.807SS**  63.2126.8129-168.9174.5-94.7167.4-8121
355A33.6Very low37Very low86 Ų86144 Ų14471%0.71180%0.804SS**  trans-106.1-171.3167.700000110.8
356P42.3Very low38.2Very low132 Ų132145.3 Ų145.386%0.85781%0.81SS**  cis-123.7176.7-20.337.9-22.6000113.1
357G30.4Very low39.3Very low75 Ų75141.6 Ų141.677%0.77381%0.806SS**  trans-158.6136.4170.700000112.9
358S34.2Very low39.9Very low110 Ų110142.2 Ų142.277%0.76981%0.807SS**  trans-73.5146-168.9-54.10000114.3
359P40.9Very low40.8Very low128 Ų128138.6 Ų138.683%0.83180%0.803SS**  trans-75.6139.3179.331.4-35000112.3
360N34.6Very low41.9Very low136 Ų136132.8 Ų132.873%0.72780%0.796SS**  trans-129.2121.1171.8-97.9-62.3000111.8A362N360-A362 PolarHBondContact O-N 3.43Å
361F42.5Very low42.4Very low192 Ų192134.2 Ų134.284%0.84280%0.797SS**  trans19.390.8159.6-62.1-84.5000119.8
362A39.5Very low42.8Very low100 Ų100137.9 Ų137.983%0.82681%0.805SS**PPolyproline II helixtrans-88.1119.9145.300000109.1N360N360-A362 PolarHBondContact O-N 3.43Å
363R46.5Very low43Very low239 Ų239140.6 Ų140.690%0.90281%0.807SS**PPolyproline II helixtrans-73.4132.9176.1-69.8-176.4177.7-174.4-0.5110.2
364K45.5Very low43.2Very low198 Ų198138.6 Ų138.686%0.86181%0.809SS**PPolyproline II helixtrans-65.4144167.8-69-177.3177.7-1800110.1
365P57.5Low43.3Very low116 Ų116134.1 Ų134.175%0.75381%0.808SS**PPolyproline II helixtrans-67.3157.5168.230.3-34.9000111.1
366P60.9Low43.4Very low117 Ų117136.4 Ų136.476%0.7681%0.813SS**PPolyproline II helixtrans-67.4153.3175.729.6-35.3000111.9
367P56.1Low43.1Very low119 Ų119142 Ų14277%0.77382%0.817SS**PPolyproline II helixtrans-71149.8179.930.1-35.3000112.4
368P50.3Low43.1Very low127 Ų127147.9 Ų147.983%0.82582%0.822SS**PPolyproline II helixtrans-71.2151.1174.730.7-35.1000112
369A50.8Low42.8Very low92 Ų92151.2 Ų151.276%0.7683%0.825SS**PPolyproline II helixtrans-73.1148.2178.100000112.5
370P51.9Low42.1Very low117 Ų117149.2 Ų149.276%0.7682%0.819SS**PPolyproline II helixtrans-72.3150.5179.930-35.4000112.8
371P45.1Very low42Very low126 Ų126150.9 Ų150.982%0.81882%0.823SS**PPolyproline II helixtrans-77.9137.1-17430.5-35.3000113.5R373P371-R373 PolarHBondContact O-N 3.15Å
372V38.8Very low41.4Very low149 Ų149149.9 Ų149.990%0.90382%0.821SS**PPolyproline II helixtrans-76.5120.5171.2179.70000109.7G374V372-G374 PolarHBondContact O-N 3.24Å
373R39.2Very low40.7Very low241 Ų241149.6 Ų149.691%0.90982%0.819SS**  trans-94.496.5-177.5-161.3175.9-166.5169.23.5110.8P371P371-R373 PolarHBondContact O-N 3.15Å
374G37.3Very low39.6Very low70 Ų70144.8 Ų144.872%0.72282%0.816SS**PPolyproline II helixtrans-65.3146176.700000113.1V372V372-G374 PolarHBondContact O-N 3.24Å
375V32.2Very low39.2Very low147 Ų147140.4 Ų140.489%0.89181%0.808SS**PPolyproline II helixtrans-92.8136.9176.6-174.20000109.7
376T35Very low37.7Very low133 Ų133143.6 Ų143.682%0.81681%0.813SS**PPolyproline II helixtrans-84.2139.9-173.241.60000113.4
377R35.6Very low36Very low249 Ų249143.3 Ų143.394%0.9481%0.813SS**PPolyproline II helixtrans-80.2156.4154.9-81.1-178.4166.5179-5.2109.5
378K30.2Very low34.6Very low200 Ų200143.9 Ų143.987%0.8781%0.814SS**  trans-118.6149.1170.3-170.4172.3178.5-178.60110.1
379E27.6Very low33.4Very low180 Ų180142 Ų14284%0.84181%0.81SS**  trans-86.9168.8-164.9-55.2143.993.400115
380A26.9Very low32.2Very low86 Ų86143.6 Ų143.671%0.71182%0.815SS**  trans-139.3116.6137.700000110.1
381Q32.2Very low31.2Very low171 Ų171145.8 Ų145.880%0.79982%0.819SS**  trans44.6142.3133.6-73169.8-44.300121
382Q29.7Very low31.1Very low170 Ų170145.4 Ų145.479%0.79482%0.816SS**  cis-171170.4-2.4175.1166.2-8.200110.2
383A26.1Very low30.9Very low95 Ų95147.5 Ų147.579%0.78581%0.813SS**  trans102.4138.2162.600000119.2
384T22.8Very low31.5Very low138 Ų138141.6 Ų141.685%0.84781%0.806SS**  trans-109.8179.6179.538.50000109.4
385P37.8Very low30.9Very low105 Ų105147.3 Ų147.368%0.68282%0.816SS**  cis-138.9176.713.342.6-23.4000118.1
386Q25.7Very low30.7Very low184 Ų184144.3 Ų144.386%0.8681%0.807SS**  trans32.8125.8144.3-64.9170.3-14.900120.8
387S25.8Very low30.4Very low110 Ų110147.4 Ų147.477%0.76981%0.812SS**  164.9141.790.7-161.30000115.2
388V24.8Very low29.9Very low131 Ų131140.3 Ų140.379%0.79481%0.807SS**  trans8.1120.5155.7-173.10000121.1
389A25.7Very low29.8Very low89 Ų89136.2 Ų136.274%0.73680%0.804SS**  trans4.6137.4148.600000122.7
390S26.9Very low30.6Very low125 Ų125133.8 Ų133.887%0.87480%0.803SS**  -166.4156124.9-83.40000113.9
391I29.8Very low30.9Very low163 Ų163134.3 Ų134.384%0.83681%0.808SS**  trans-121.4148.6174.5-75170.3000105.4
392P43.1Very low30.6Very low118 Ų118129.6 Ų129.677%0.76681%0.805SS**  cis-138-170.225.328.2-2.1000117.2
393K34.3Very low30.5Very low192 Ų192130 Ų13084%0.83581%0.807SS**  trans-50.8172.8154.3-81.1-178.3175.1-179.90114
394P52.5Low30.5Very low117 Ų117131.9 Ų131.976%0.7680%0.803SS**  cis-135.1-177.2-34.438.7-22.3000112.4
395M23.8Very low30.7Very low191 Ų191133.5 Ų133.594%0.94180%0.801SS**  trans-151.1169.2160.9-128.1176.475.800112.9
396A28.7Very low30.9Very low84 Ų84133.7 Ų133.769%0.69480%0.802SS**  trans-147.9170.2-165.200000114.6
397Q29.6Very low31Very low197 Ų197133.5 Ų133.592%0.92180%0.801SS**  trans69.5124167.1-65.8-170.3-21.100120.2
398A25.1Very low31Very low100 Ų100133.8 Ų133.883%0.82680%0.795SS**  -151155.7120.600000109.7
399S26.8Very low31.1Very low115 Ų115134.7 Ų134.780%0.80479%0.788SS**  trans-127.4163.5169.9-53.30000108.7
400P45.7Very low31.1Very low128 Ų128138 Ų13883%0.83179%0.788SS**  -151.1-17690.937.2-18.3000114.1
401A31.5Very low31Very low98 Ų98139 Ų13981%0.8178%0.782SS**  cis-168.8143.3-44.800000111
402G26.7Very low30.6Very low72 Ų72142 Ų14274%0.74278%0.783SS**  trans80.6160.2167.800000116.8
403Q28.5Very low30.2Very low177 Ų177141.7 Ų141.783%0.82778%0.779SS**  cis-174.3139.2-13.1-120.1-175.2-36.900104.7
404L25.4Very low30.5Very low136 Ų136138 Ų13871%0.71278%0.775SS**  cis-172.5156.742.3-90.5146.6000109.4
405Q27.4Very low29.3Very low171 Ų171141.4 Ų141.480%0.79978%0.781SS**  trans30.9163.3140.8-74.8-159.527.400124.7
406P42Very low29.5Very low110 Ų110135.7 Ų135.771%0.71477%0.77SS**  cis-134.4-142.8-20.237.4-15.4000113.1
407E26.3Very low29.4Very low179 Ų179139.7 Ų139.784%0.83678%0.78SS**  trans-105.2176.3-167.1-57.7162.389.500115.1
408D25.8Very low29.3Very low117 Ų117133.1 Ų133.163%0.62677%0.765SS**  105.9149.3129-136.7-6.9000122.9
409K27.7Very low29.5Very low149 Ų149135.6 Ų135.665%0.64876%0.76SS**  trans49.7114.1153.9-85.1147.4-157.2152.40125.2
410Q25.9Very low29.7Very low159 Ų159137.2 Ų137.274%0.74375%0.752SS**  75.9164105.1-147.7-174.317.800120.5
411I24.9Very low29Very low147 Ų147139.5 Ų139.575%0.75475%0.754SS**  trans74.9142.1164.8-59.8177.3000115.3
412R22.1Very low29Very low224 Ų224139.3 Ų139.385%0.84575%0.747SS**  cis-170.4162.9-24.4-173.1177.6-170.3168.92.2108.4
413T34.4Very low29Very low113 Ų113143.9 Ų143.969%0.69375%0.754SS**  trans-63.3152.9166.345.90000112.7
414P40Very low29Very low115 Ų115138.8 Ų138.875%0.74775%0.749SS**  -126.1164.7886.516.6000112.8
415Q26.6Very low29.4Very low188 Ų188140.1 Ų140.188%0.87976%0.756SS**  cis88.3133.123.5-166.2-172.52.800115.1
416G28.2Very low29.5Very low70 Ų70137.6 Ų137.672%0.72275%0.748SS**  trans119.599.5-178.900000111.7
417N26.2Very low29.2Very low168 Ų168142.4 Ų142.490%0.89875%0.752SS**  cis86.412422.3-160.356.8000115.5
418G27.6Very low29.4Very low59 Ų59139.5 Ų139.561%0.60875%0.752SS**  trans88.8155.5175.800000115.8
419E29.4Very low29.5Very low153 Ų153138 Ų13872%0.71576%0.764SS**  cis-170.4148.8-22.9-131.1-171.8109.100111.4
420K31.3Very low29.5Very low149 Ų149134.6 Ų134.665%0.64877%0.771SS**  trans64.9111134.1-172-178.9-93.7149.20122.7
421M31.5Very low29.9Very low175 Ų175133.8 Ų133.886%0.86278%0.776SS**  trans63.5158.6142.3-57.9166.7143.600118.1
422S31.1Very low30.9Very low95 Ų95132.4 Ų132.466%0.66478%0.777SS**  cis-163.9153.126.160.10000115.2
423N26.1Very low31.5Very low167 Ų167128.4 Ų128.489%0.89377%0.772SS**  trans54.6147138.6-57.9-1.1000124.1
424G29.5Very low31.4Very low71 Ų71131.2 Ų131.273%0.73278%0.775SS**  trans121.6108173.700000111.5
425L33.3Very low30.9Very low164 Ų164132.4 Ų132.486%0.85978%0.78SS**  cis70.5128.438.4-138.378.5000111.3
426D30Very low31Very low117 Ų117127.2 Ų127.263%0.62678%0.777SS**  cis-155.2177.724.9-149.6-7.7000115.2
427R35.3Very low31.1Very low212 Ų212132.3 Ų132.380%0.878%0.782SS**  trans1167.3151.7-77.8158.4176.7-115.1-4.5123
428S30.3Very low31.2Very low118 Ų118132.1 Ų132.183%0.82577%0.774SS**  cis172157.1-25.8-88.70000110.4
429G27.6Very low31.3Very low85 Ų85136.2 Ų136.288%0.87678%0.777SS**  trans110.4150.5160.100000115.4
430G28.1Very low31.3Very low78 Ų78135.6 Ų135.680%0.80478%0.778SS**  cis-167.3177.7-0.400000112.8
431V33.8Very low31.3Very low141 Ų141139.3 Ų139.386%0.85579%0.79SS**  trans-132.5139.4-173.5177.20000110.3
432P47.7Very low31.3Very low118 Ų118135.8 Ų135.877%0.76678%0.783SS**  trans-150128.3131.933.5-14.2000117.5
433N32.7Very low31.4Very low140 Ų140138.9 Ų138.975%0.74979%0.792SS**  trans59.8122.2132.9-85.9-27.4000125.1
434K34Very low31.7Very low172 Ų172135.3 Ų135.375%0.74879%0.785SS**  99.2133.5117.2-90.3-170.1172.3-172.20123.6
435T29.3Very low32.4Very low140 Ų140136.2 Ų136.286%0.85979%0.786SS**  trans66.4119.4145.547.30000120.7
436G28.4Very low32.4Very low79 Ų79136 Ų13681%0.81479%0.786SS**  trans177.4133.3165.700000108.6
437E30Very low32.8Very low177 Ų177136.2 Ų136.283%0.82779%0.787SS**  trans-102.4160.4-173.7-99.5-174.376.900113.4
438K28.7Very low32.9Very low165 Ų165133.4 Ų133.472%0.71778%0.783SS**  trans72.9103.2156.7-77.6-173176.3-171.70121.2
439Q30Very low33Very low145 Ų145132.9 Ų132.968%0.67878%0.775SS**  93.1123.798.8-164158.14.700119.5
440D27.7Very low33.2Very low139 Ų139138.5 Ų138.574%0.74377%0.771SS**  trans63.883.3158.8-53.5-19.1000119.9
441Y32.6Very low33.5Very low228 Ų228141.6 Ų141.689%0.89477%0.769SS**  trans-80.1159.7150.4-90.3-116.8000110.2
442S32Very low33.5Very low101 Ų101140.8 Ų140.871%0.70676%0.764SS**  cis-171.5150.8-18.351.20000109.6
443D32.5Very low33.8Very low159 Ų159140.5 Ų140.585%0.8576%0.763SS**  trans-83.3157.5166-179.332.9000111.8
444A32.4Very low34.8Very low92 Ų92138.8 Ų138.876%0.7676%0.759SS**  trans163.714515300000112.4
445A43.6Very low34.6Very low91 Ų91136.1 Ų136.175%0.75276%0.762SS**  trans-124.3161.3163.600000109.8
446D33.1Very low34.7Very low159 Ų159135.1 Ų135.185%0.8576%0.755SS**  trans-170.1129.7138-111.6-6.4000114.9
447D39.5Very low34.8Very low122 Ų122141.5 Ų141.565%0.65276%0.755SS**  44.4147.5122-134.916.4000125.6
448Q36.7Very low35.2Very low153 Ų153144.4 Ų144.472%0.71576%0.758SS**  trans71.5161.7152.1-51.9-128.11000122.4
449V32.5Very low35.2Very low107 Ų107145 Ų14565%0.64876%0.764SS**  cis-163.1155.3-48.488.60000110.7
450Y33Very low35.2Very low203 Ų203146.7 Ų146.780%0.79677%0.772SS**  trans73.9147.9163.5-96.4-106.5000124.2
451D32.7Very low36Very low142 Ų142144.8 Ų144.876%0.75977%0.767SS**  trans72.5145.6151.5-94.6-30.7000126.2
452T35.3Very low35.7Very low125 Ų125141.3 Ų141.377%0.76776%0.762SS**  trans-134174.7172.7-30000106.5
453P53.8Low35.5Very low112 Ų112145.4 Ų145.473%0.72777%0.77SS**  cis-131-133.9-2.142.9-21.6000109.5
454P52.8Low35.2Very low104 Ų104142.2 Ų142.268%0.67576%0.76SS**  cis-128.9151.8-33.235.2-19.4000114.9
455S30.8Very low34.9Very low116 Ų116143.7 Ų143.781%0.81176%0.76SS**  trans176.9127.4140.2-830000109.3
456V31.7Very low34.1Very low118 Ų118150.5 Ų150.572%0.71577%0.766SS**  82.310552.8177.80000114.1
457R30Very low33.9Very low213 Ų213149.1 Ų149.180%0.80476%0.763SS**  trans81109.9147-166.3-177.3-56.6-107-1.4120.1
458W37.5Very low33.5Very low238 Ų238146.5 Ų146.590%0.90276%0.759SS**  trans-52.6143.8159-66.888.3000114.5
459Q29.6Very low33.2Very low179 Ų179146.8 Ų146.884%0.83677%0.765SS**  trans-139.6151.2151.1-67.3-166.471.400110.5
460Q29.3Very low33.2Very low179 Ų179147.8 Ų147.884%0.83677%0.771SS**  trans-105.8-160.2176.5-48.8173.5-48.700108.2
461P43.9Very low33.3Very low100 Ų100145.8 Ų145.865%0.64977%0.774SS**  cis-135.9160.9-18.820.74000116.4
462I27.9Very low33.4Very low155 Ų155142 Ų14280%0.79577%0.769SS**  trans46139.1140.3-44.3159.6000121.7
463Q26.3Very low33.3Very low187 Ų187144.5 Ų144.587%0.87478%0.776SS**  trans119152153-66.7-172.524.100115.4
464S26.6Very low32.4Very low91 Ų91149.4 Ų149.464%0.63678%0.781SS**  cis-172.8147-30.2-175.20000111.6
465T27.1Very low31.4Very low124 Ų124151.7 Ų151.776%0.76179%0.788SS**  trans51.4119.115143.30000123.1
466R26.1Very low31.9Very low233 Ų233152 Ų15288%0.87979%0.785SS**  -166.8128.2120.5-100.6-171.5158.8153.4-5.6108.5
467V28.8Very low32.4Very low130 Ų130152.3 Ų152.379%0.78879%0.79SS**  71.1123.472.6168.20000112.1
468A30.4Very low32.4Very low67 Ų67153.2 Ų153.255%0.55479%0.793SS**  cis-166.9-177.3-10.300000108.1
469D30.5Very low32.2Very low159 Ų159146.1 Ų146.185%0.8578%0.78SS**  cis-120.8-96.54.6-72.7-84.2000113.1
470V33.8Very low32.4Very low128 Ų128144.1 Ų144.178%0.77678%0.779SS**  cis-152.5162.41.9-168.40000109.2
471D34.7Very low32.5Very low161 Ų161143.1 Ų143.186%0.86178%0.775SS**  trans-67.2156.2177.2-59.5-63.9000115.4
472G33.8Very low31.6Very low64 Ų64143.8 Ų143.866%0.6678%0.782SS**  cis160.3-174.2-600000114.3
473I32.9Very low31.7Very low176 Ų176145 Ų14590%0.90379%0.785SS**  trans82.2147.5165.8-54.4174.7000117.7
474Y35.2Very low31.8Very low215 Ų215140.9 Ų140.984%0.84378%0.782SS**  trans-65.9156.3-179.3-80-115.2000114.1
475D31.6Very low31.9Very low152 Ų152144.1 Ų144.181%0.81379%0.792SS**  -164.3161.7107.6-127.6-36000115.4
476T43Very low33.1Very low124 Ų124142.7 Ų142.776%0.76179%0.785SS**  trans-142.1114.8171.3-60.80000111
477P40.9Very low33.3Very low124 Ų124139.8 Ų139.881%0.80578%0.782SS**  trans-108.7166.8165.734.8-26000113.6
478R30.4Very low33.6Very low231 Ų231138.3 Ų138.387%0.87277%0.773SS**  trans-149.5155.7-169.4-168.7-166.7-159.2-165.57.5109.8
479S34.2Very low33.7Very low89 Ų89143.6 Ų143.662%0.62279%0.786SS**  trans65.8166.3165.824.80000115
480V33.3Very low33.8Very low137 Ų137142.5 Ų142.583%0.8379%0.785SS**  cis-118.7-178.718.2-162.30000111.9
481Q31.5Very low33.6Very low158 Ų158146.1 Ų146.174%0.73879%0.786SS**  trans-126.5168.9-174.6-43.481.4-117.200112.4
482S24.7Very low33.3Very low115 Ų115144.5 Ų144.580%0.80478%0.778SS**  trans-150.7149.3170.4174.20000110.7
483Q30.6Very low33.1Very low181 Ų181147.3 Ų147.385%0.84678%0.781SS**  cis-176.3124.1-38.4167.5177.8-13.800107.8
484A27.9Very low34Very low100 Ų100143.6 Ų143.683%0.82677%0.769SS**  trans-179.6144.9146.900000111.4
485D28.4Very low33.9Very low159 Ų159139.4 Ų139.485%0.8577%0.766SS**  trans-133.7177.1170.2-125.6-23.2000105.3
486P53.3Low33.9Very low93 Ų93140 Ų14060%0.60477%0.767SS**  cis-152.4-165.238.143.9-21.3000117.3
487E30.4Very low33.1Very low173 Ų173140 Ų14081%0.80877%0.767SS**  trans76.2142.1157.3-67.1171.6-149.600118.4
488T34Very low33Very low99 Ų99141.7 Ų141.761%0.60777%0.769SS**  cis-170.4140.4-8.2-97.20000111.7
489E32.9Very low33Very low178 Ų178138.7 Ų138.783%0.83277%0.768SS**  trans60.4167.1159.5-72170.1-165.300119.5
490V31.4Very low32.9Very low136 Ų136141.4 Ų141.482%0.82477%0.769SS**  cis-153.4179.6-14.1119.80000112
491Y30.2Very low33.7Very low203 Ų203140.3 Ų140.380%0.79676%0.764SS**  trans-77.9151.8-169.2-104.9-119.2000120.2
492D29Very low33.7Very low128 Ų128136.2 Ų136.268%0.68476%0.758SS**  trans58.3118.9137.4-77.45.3000129
493V29.9Very low34.3Very low122 Ų122133.9 Ų133.974%0.73975%0.746SS**  73.6-178.2127.5-159.10000115.4
494P50.9Low34.3Very low99 Ų99130.9 Ų130.964%0.64374%0.735SS**  -134.4175.7-98.645.9-28.7000119.8
495T33.7Very low34.6Very low127 Ų127133.1 Ų133.178%0.77973%0.732SS**  trans69136.1151.1-520000120.5
496I30.7Very low34.9Very low164 Ų164132.4 Ų132.484%0.84172%0.721SS**  trans174.1171.7138.3-92.8160000113
497T27.7Very low34.6Very low123 Ų123133.7 Ų133.776%0.75573%0.73SS**  trans-113.7147.5-161.950.40000117.6
498L38.1Very low34.8Very low161 Ų161131.4 Ų131.484%0.84372%0.719SS**  trans43.7135.4135.5-157.879000123.1
499I29.8Very low35Very low168 Ų168135.2 Ų135.286%0.86273%0.73SS**  trans169.2174.6132.6-85.7159.5000113.1
500K33.1Very low35.2Very low145 Ų145133.4 Ų133.463%0.6373%0.726SS**  trans-140.3160.3-146.7-171.7-128.6-179.3-167.60116.4
501P49.3Very low35.4Very low114 Ų114135 Ų13574%0.7472%0.724SS**  trans-112-174.3163.240.5-34.8000115.8
502A32.1Very low35.7Very low73 Ų73132.2 Ų132.260%0.60372%0.723SS**  trans-160.4178.9-177.400000116.8
503A36.2Very low35.9Very low66 Ų66134.5 Ų134.555%0.54573%0.73SS.*  trans77.5154.8165.700000119.1
504D31.8Very low36.3Very low117 Ų117134.7 Ų134.763%0.62673%0.731SS**  cis-158.3166.37.6-150.74.3000117.3
505I33.9Very low35.2Very low147 Ų147140.6 Ų140.675%0.75474%0.742SS**  trans69.2156.8157.2-77.7161.5000122.6
506K35Very low35.5Very low144 Ų144139.9 Ų139.963%0.62674%0.742SS**  trans-136.2157.2-154-160.7-173.9168.2-1480114.3E508K506-E508 WeakPolarHBondContact CD-OE2 3.2Å; K506-E508 WeakPolarHBondContact CE-OE2 3.33Å; K506-E508 WeakPolarHBondContact CG-OE2 3.49Å; K506-E508 IonicContact NZ-OE1 2.73Å; K506-E508 PolarHBondContact NZ-OE1 3Å; K506-E508 IonicContact NZ-OE2 2.67Å; K506-E508 PolarHBondContact NZ-OE2 3.4Å
507P47.2Very low35.7Very low121 Ų121138.1 Ų138.179%0.78674%0.739SS**  -153-179.2114.539-21.4000115.5
508E34.1Very low36Very low125 Ų125137.9 Ų137.958%0.58474%0.739SS**  -153.3-60.1-53.2-153.261.1-159.600116.1K506K506-E508 WeakPolarHBondContact CD-OE2 3.2Å; K506-E508 WeakPolarHBondContact CE-OE2 3.33Å; K506-E508 WeakPolarHBondContact CG-OE2 3.49Å; K506-E508 IonicContact NZ-OE1 2.73Å; K506-E508 PolarHBondContact NZ-OE1 3Å; K506-E508 IonicContact NZ-OE2 2.67Å; K506-E508 PolarHBondContact NZ-OE2 3.4Å
509E38.1Very low35.8Very low178 Ų178136.1 Ų136.183%0.83274%0.735SS**  trans-126.6157.6-161.1-80173.7-176.900114.2
510D36.8Very low36.2Very low141 Ų141136 Ų13675%0.75474%0.736SS**  cis-169.2175.6-21.1-150.3-21.2000112
511E36.4Very low36.5Very low169 Ų169135.1 Ų135.179%0.7974%0.744SS**  trans78.4164.1160.2-53.3-165.6-146.600124.1
512D35.6Very low35.6Very low145 Ų145133.5 Ų133.578%0.77575%0.749SS**  trans83.992.1168.3-68.3-14.9000125.7
513E34.1Very low35.7Very low176 Ų176136.7 Ų136.782%0.82276%0.76SS**  trans57.989131-56.9-155.1124.300125.6
514V37.8Very low35.8Very low125 Ų125138.4 Ų138.476%0.75877%0.766SS**  40.1124.8110.3-178.80000121.5
515Y28.6Very low35.7Very low224 Ų224140.6 Ų140.688%0.87878%0.777SS**  -165.8152.6115.3-119.4-82.3000113.4
516S39.1Very low35.3Very low111 Ų111139.7 Ų139.778%0.77678%0.778SS**  trans-138.2166.9-173-820000115.2
517V34.7Very low35Very low128 Ų128140.7 Ų140.778%0.77679%0.789SS**  trans-30.6135.6-178.1-173.40000116.7
518P33.9Very low34Very low117 Ų117138.4 Ų138.476%0.7678%0.781SS**  trans-84.8148.6173.934.6-35.1000113.6
519T34.8Very low33.8Very low125 Ų125140.8 Ų140.877%0.76779%0.791SS**  trans-150.4106.8162.7-69.30000111.5
520L37.4Very low33.3Very low165 Ų165136.6 Ų136.686%0.86478%0.782SS**  trans53.2157.8160.8-64.5179.7000119.8
521P40.8Very low32.8Very low126 Ų126136.7 Ų136.782%0.81879%0.788SS**  trans-97.3143.9-167.736.3-34.1000114.7
522G29.3Very low32.2Very low80 Ų80132.6 Ų132.683%0.82579%0.791SS**  trans159.8100.6167.700000114.4
523V35Very low31.7Very low141 Ų141130.8 Ų130.886%0.85579%0.79SS**  trans-116.8153.2-178.8169.20000108.2
524P36.7Very low31.5Very low102 Ų102130 Ų13066%0.66279%0.79SS**  cis-127165.54.322.51000116.9
525L29.8Very low31.8Very low162 Ų162129.3 Ų129.385%0.84879%0.788SS**  trans41.5149.7131.7-50.2168.4000120.5
526V26.8Very low31.6Very low128 Ų128124.9 Ų124.978%0.77679%0.785SS**  cis-149.3130.238.91700000112
527L27.2Very low31.1Very low166 Ų166127.9 Ų127.987%0.86979%0.786SS**  trans38.8144.6138.7-141.375.7000123.3
528A27.2Very low30.7Very low73 Ų73128.1 Ų128.160%0.60378%0.784SS**  trans-78.8-169158.400000110.8
529E29.1Very low30.4Very low174 Ų174128.8 Ų128.881%0.81378%0.779SS**  cis-162.917414.2-153.7163.9-136.200111.4
530S29.2Very low30Very low90 Ų90127.1 Ų127.163%0.62977%0.773SS**  trans71.1120.4154.4-69.30000122
531T24.7Very low29.7Very low144 Ų144127.6 Ų127.688%0.88377%0.77SS**  trans54.6111.3142.456.60000120.9
532G25.6Very low29.2Very low83 Ų83128.1 Ų128.186%0.85677%0.771SS**  trans179.5128.4159.700000111
533S24.6Very low29Very low106 Ų106127.7 Ų127.774%0.74177%0.766SS**  trans-116.7148.8-173.659.30000113.2
534L28.9Very low28.7Very low161 Ų161129.1 Ų129.184%0.84376%0.764SS**  trans75164.7170.8-55166.7000114.4
535P44.4Very low28.3Very low110 Ų110130.4 Ų130.471%0.71477%0.77SS**  -138.6-152.3-81.740-19.9000112.3
536T24.4Very low28Very low131 Ų131127.2 Ų127.280%0.80476%0.759SS**  trans111.7148.4157.5-37.70000115.3
537E28.8Very low27.9Very low173 Ų173130.4 Ų130.481%0.80876%0.763SS**  trans-103.8175.4-167.9-63.8161.2106.600113.2
538D26.5Very low27.9Very low134 Ų134128.9 Ų128.972%0.71776%0.761SS**  trans80.2129147.5-90.6-7.1000124
539I26.9Very low28.3Very low130 Ų130131.4 Ų131.467%0.66777%0.771SS**  trans61.7122.3130.4-62.8169.7000117.5
540S27.2Very low28.3Very low90 Ų90126.3 Ų126.363%0.62977%0.765SS**  -178.8147.562.714.90000115.9
541H31.2Very low29.2Very low175 Ų175127.7 Ų127.781%0.8177%0.772SS**  trans58.7166.3144.6-50.2-43.5000119.8
542V28.9Very low29.3Very low137 Ų137126.8 Ų126.883%0.8376%0.761SS**  cis-146139.720.4175.20000113.2
543G25.3Very low29.6Very low71 Ų71132.5 Ų132.573%0.73276%0.763SS**  trans89.5161.7142.500000121.1
544Q28.8Very low29.7Very low171 Ų171137.6 Ų137.680%0.79977%0.766SS**  cis-168.5120.2-19.1-169.8170.7-2.300113.1
545V28.3Very low29.6Very low130 Ų130134.3 Ų134.379%0.78876%0.762SS**  trans69.4143.8149.1166.90000118.3
546C24.7Very low28.8Very low94 Ų94134.9 Ų134.964%0.63577%0.769SS**  cis-155.3176.410.7-146.90000116
547F23.1Very low29Very low196 Ų196132.1 Ų132.186%0.8677%0.766SS**  trans85152.2156.1-70.3-60.7000122.8
548V28.4Very low28.9Very low134 Ų134127.8 Ų127.881%0.81277%0.768SS**  trans-158.9136.6-152.6163.40000108.2
549P36.2Very low29.1Very low126 Ų126128.5 Ų128.582%0.81877%0.772SS**  -139.5174.579.228.3-5.7000114.2
550G29.1Very low29.3Very low67 Ų67129.6 Ų129.669%0.69177%0.774SS**  cis109.2150.213.700000112.2
551P47.5Very low29.4Very low119 Ų119133.4 Ų133.477%0.77378%0.779SS**  cis-143.5-179.4-5.344.8-26.3000117.5
552D26.4Very low29.3Very low124 Ų124133 Ų13366%0.66378%0.778SS**  trans48.2122.9144.2-87-57.4000126.1
553K30.9Very low29.2Very low203 Ų203134 Ų13488%0.88378%0.779SS**  157.9125.6120.2-88.6174.7-177.4178.40109.8
554R27.5Very low29.3Very low213 Ų213135.3 Ų135.380%0.80478%0.776SS**  cis90.3113.420.2-146-146.6-67.6-154.72.9116.8
555A26.4Very low29.4Very low93 Ų93133.1 Ų133.177%0.76978%0.775SS**  trans91.1150.7146.500000122.4
556S29Very low29.4Very low122 Ų122135.2 Ų135.285%0.85378%0.776SS**  trans67.5141.9173.2-128.40000117.1
557G26.8Very low29.8Very low72 Ų72136.8 Ų136.874%0.74278%0.782SS**  cis102.5111.93.300000112.3
558G28.2Very low30.1Very low83 Ų83134.2 Ų134.286%0.85678%0.777SS**  trans-178.6154.8-177.200000110.8
559D30.6Very low30.2Very low149 Ų149133.3 Ų133.380%0.79778%0.776SS**  trans-135.6170.3-164.6-173.216.1000111.1
560Q31.6Very low30Very low153 Ų153130.4 Ų130.472%0.71577%0.769SS**  trans84.1147.1160.8-58.5-172.518.600122.4
561K29.2Very low30.1Very low170 Ų170134.8 Ų134.874%0.73978%0.775SS**  trans76.485.4149.2-82.8-170.9168.4-144.70121.4
562Q27.9Very low29.4Very low166 Ų166140 Ų14078%0.77678%0.78SS**  22.8120.194-172.8-17830.100117.9
563D26.1Very low29.6Very low159 Ų159139.9 Ų139.985%0.8578%0.78SS**  trans-155.3161.2135.7-107.9-33000109.9
564S27.7Very low29.5Very low97 Ų97138.4 Ų138.468%0.67878%0.778SS**  trans-154.9138.2-161.858.20000115.9
565T31.8Very low29.8Very low125 Ų125133 Ų13377%0.76777%0.771SS**  trans-173123.6151.232.10000106.5
566E29.2Very low29.8Very low174 Ų174133.1 Ų133.181%0.81377%0.766SS**  62.1135.679.4-68.1-169135.600114.1
567V32.4Very low29.7Very low127 Ų127134.2 Ų134.277%0.7776%0.761SS**  cis-118.7-168.65.6-119.20000109.8
568D29.8Very low29.8Very low142 Ų142136.1 Ų136.176%0.75976%0.759SS**  cis-152-172.218.3-147-36.1000111.8
569C30.1Very low29.7Very low116 Ų116140.3 Ų140.378%0.78476%0.76SS**  trans-102.4160-174.462.20000114.4
570G31.2Very low29.5Very low64 Ų64141.5 Ų141.566%0.6676%0.761SS**  cis169.5171.5-9.400000114.4
571I31.8Very low29.3Very low159 Ų159141.5 Ų141.582%0.81576%0.763SS**  trans42.894152.9-42.3176.2000117.8
572Y32.5Very low29.1Very low228 Ų228140 Ų14089%0.89476%0.762SS**  -157.4162.6105.9-122.4-85.4000111.2
573D30.1Very low29.9Very low123 Ų123136.6 Ų136.666%0.65875%0.754SS**  trans-94.6143.2-158.5-175.124.2000115.4
574M28.9Very low29.7Very low172 Ų172137.3 Ų137.385%0.84775%0.752SS**  trans-159.7121.3154.5-101.3-58.6102.100110.5
575P34.5Very low29.7Very low100 Ų100137.8 Ų137.865%0.64976%0.755SS**  trans-82.4158.4-173.331.1-35.6000115.4
576S25.5Very low29.3Very low95 Ų95137.5 Ų137.566%0.66476%0.757SS**  trans-68.6175.8169.450.70000112
577L28.7Very low29.1Very low144 Ų144134.4 Ų134.475%0.75475%0.754SS**  -156144.350.4-67.2159.8000108.3
578T27.2Very low29Very low112 Ų112133.8 Ų133.869%0.68776%0.756SS**  55.2111.654.464.40000116.6
579I27.5Very low29Very low172 Ų172131.8 Ų131.888%0.88275%0.753SS**  trans-170138.5140.8-100150.9000108.7
580E25.6Very low28.9Very low174 Ų174131.4 Ų131.481%0.81375%0.752SS**  trans-154156.2171.3-161.1-178.3-13600110
581M27.9Very low28.7Very low153 Ų153134.2 Ų134.275%0.75476%0.761SS**  trans69.2153.5172.6-62.6-16072.700118.5
582L24.7Very low28.4Very low138 Ų138131.7 Ų131.772%0.72376%0.764SS**  cis178.1-170.5-37.5-125.877000105.5
583P45Very low28.2Very low94 Ų94126.4 Ų126.461%0.6176%0.761SS**  cis-81.3-141.9-17.4-9.231.3000112
584H22.3Very low28.3Very low174 Ų174126.8 Ų126.881%0.80677%0.768SS**  cis-141.5178.511-87.4-80.8000112.4
585S26.3Very low28.5Very low108 Ų108128.8 Ų128.876%0.75577%0.766SS**  trans-83.6163.8-176.7-38.70000113.6
586C23.8Very low28.4Very low118 Ų118135.4 Ų135.480%0.79778%0.778SS**  cis-147.6159.222.7-67.80000115
587S26Very low28.5Very low109 Ų109138.6 Ų138.676%0.76278%0.782SS**  trans72.9116145.7-600000123.5
588S29.6Very low28.7Very low114 Ų114137.7 Ų137.780%0.79779%0.787SS**  trans66.6136.4139.6-54.60000120.4
589S30Very low28.9Very low101 Ų101137.3 Ų137.371%0.70679%0.785SS**  cis-161.6160.9-2.3-97.20000112.6
590S28Very low28.9Very low108 Ų108134.3 Ų134.376%0.75578%0.779SS**  trans49.8115.9157.154.10000119.7
591S27.3Very low29.3Very low123 Ų123130.9 Ų130.986%0.8677%0.774SS**  -168.8174.487.6-79.30000115.1
592A26.1Very low29.5Very low105 Ų105130.8 Ų130.887%0.86878%0.777SS**  trans-34.3134-172.200000119
593S27.7Very low30.3Very low118 Ų118128.2 Ų128.283%0.82578%0.784SS**  trans-106.5121.4163.3-178.30000110.5R595S593-R595 PolarHBondContact O-N 2.88Å
594T32.4Very low30.2Very low131 Ų131126.6 Ų126.680%0.80478%0.775SS**  trans-72.9112175.533.50000110.8R596T594-R596 PolarHBondContact O-N 3.15Å
595R31.6Very low31.5Very low213 Ų213120.7 Ų120.780%0.80476%0.761SS**  trans-64.1120-176.6-178.9179-69.4-127.2-0.2111.2S593 H597S593-R595 PolarHBondContact O-N 2.88Å; R595-H597 PolarHBondContact O-CD2 2.9Å; R595-H597 PolarHBondContact O-N 3.39Å
596R33Very low32.9Very low239 Ų239118.9 Ų118.990%0.90274%0.743SS**  trans-58.2118.4170.7-73.7-174.1172.5-159.6-2.2110.9T594 S598T594-R596 PolarHBondContact O-N 3.15Å; R596-S598 PolarHBondContact O-N 3.43Å
597H28.3Very low34.5Very low163 Ų163116.8 Ų116.876%0.75573%0.726SS**  trans-86.6105.9171.8-78.2-87.5000110.8R595 V599R595-H597 PolarHBondContact O-CD2 2.9Å; R595-H597 PolarHBondContact O-N 3.39Å; H597-V599 HydrophobicContact CB-CG2 4.4Å
598S31.5Very low36.5Very low124 Ų124116.3 Ų116.387%0.86771%0.712SS**  trans-77.1118.5163.1-62.20000108.7R596R596-S598 PolarHBondContact O-N 3.43Å
599V32.6Very low38.7Very low105 Ų105112.1 Ų112.164%0.63668%0.679SS**  trans-111.4125.8-178.7179.70000109.8H597H597-V599 HydrophobicContact CB-CG2 4.4Å
600S27Very low40.9Very low109 Ų109109.1 Ų109.176%0.76265%0.653SS**  trans-70.8144.9176.7-170.50000111.6N602S600-N602 PolarHBondContact O-N 3.49Å
601S33.6Very low43.2Very low101 Ų101106.3 Ų106.371%0.70664%0.636SS**  trans-65.2125.3175.4-179.70000111.3
602N33.3Very low45.7Very low151 Ų151103.7 Ų103.781%0.80762%0.617SS**  trans-170.897.4140.5-96.4-29.9000112S600 S604S600-N602 PolarHBondContact O-N 3.49Å; N602-S604 PolarHBondContact O-N 3.2Å
603G41.2Very low48.3Very low85 Ų8598.8 Ų98.888%0.87658%0.577SS**SBendtrans72.134.1141.200000120.9
604S43.7Very low51Low60 Ų6094.6 Ų94.642%0.4255%0.545SS..  trans-153.756166.5-160.60000114.9N602 D606 V607 Q608N602-S604 PolarHBondContact O-N 3.2Å; S604-D606 PolarHBondContact O-N 3.25Å; S604-V607 PolarHBondContact O-N 3.02Å; S604-Q608 WeakPolarHBondContact O-CG 3.3Å; S604-Q608 PolarHBondContact O-N 3.42Å
605G48.6Very low53.4Low50 Ų5093.8 Ų93.852%0.51554%0.536SS..Hα-helixtrans-55.1-49.3-175.300000114.4V607 Q608 W609G605-V607 PolarHBondContact O-N 3.31Å; G605-V607 VanDerWaalsContact O-N 3.15Å; G605-Q608 PolarHBondContact O-N 3.48Å; G605-W609 PolarHBondContact O-N 2.95Å
606D54.8Low55.9Low70 Ų7086.3 Ų86.337%0.37451%0.512SS..Hα-helixtrans-64.8-20.8-172.6-177.162.3000115S604 W609 K610S604-D606 PolarHBondContact O-N 3.25Å; D606-W609 PolarHBondContact O-NE1 3.47Å; D606-W609 PolarHBondContact OD1-NE1 2.76Å; D606-K610 WeakPolarHBondContact O-CD 3.35Å; D606-K610 WeakPolarHBondContact O-CE 3.43Å; D606-K610 WeakPolarHBondContact O-CG 3.35Å; D606-K610 VanDerWaalsContact OD1-CE 3.24Å; D606-K610 WeakPolarHBondContact OD1-CE 3.5Å; D606-K610 IonicContact OD1-NZ 3.69Å; D606-K610 PolarHBondContact OD1-NZ 3.39Å; D606-K610 IonicContact OD2-NZ 3.7Å; D606-K610 PolarHBondContact OD2-NZ 3.28Å
607V59.3Low58.4Low73 Ų7375 Ų7544%0.44247%0.469SS..Hα-helixtrans-94.8-32.2176.8-1760000111.3S604 G605 A611 P702S604-V607 PolarHBondContact O-N 3.02Å; G605-V607 PolarHBondContact O-N 3.31Å; G605-V607 VanDerWaalsContact O-N 3.15Å; V607-A611 PolarHBondContact O-N 2.91Å; V607-P702 HydrophobicContact CG2-CG 4.1Å
608Q66.6Low61.1Low99 Ų9972 Ų7246%0.46346%0.455SS..Hα-helixtrans-69.3-42.7-178.5-74.3179.2-42.200112.5S604 G605 A611 S612S604-Q608 WeakPolarHBondContact O-CG 3.3Å; S604-Q608 PolarHBondContact O-N 3.42Å; G605-Q608 PolarHBondContact O-N 3.48Å; Q608-A611 PolarHBondContact O-N 3.16Å; Q608-S612 WeakPolarHBondContact O-CB 3.39Å; Q608-S612 PolarHBondContact O-N 3.2Å
609W76.1Confident63.7Low27 Ų2769.2 Ų69.210%0.10244%0.435CS..Hα-helixtrans-66.9-38.7178.674.2-105.6000112.1G605 D606 A611 S612 L613 S646 H647 L655 L696G605-W609 PolarHBondContact O-N 2.95Å; D606-W609 PolarHBondContact O-NE1 3.47Å; D606-W609 PolarHBondContact OD1-NE1 2.76Å; W609-A611 PolarHBondContact O-N 2.89Å; W609-S612 PolarHBondContact O-N 3.04Å; W609-L613 HydrophobicContact CE3-CD1 3.52Å; W609-L613 HydrophobicContact CE3-CG 4.14Å; W609-L613 HydrophobicContact CZ3-CD1 3.59Å; W609-L613 WeakPolarHBondContact O-CG 3.33Å; W609-L613 PolarHBondContact O-N 2.86Å; W609-S646 WeakPolarHBondContact CB-OG 3.33Å; W609-H647 AromaticContact CH2-CE1 3.73Å; W609-H647 AromaticContact CH2-NE2 3.09Å; W609-H647 WeakPolarHBondContact CH2-NE2 3.31Å; W609-H647 AromaticContact CZ2-CE1 3.45Å; W609-H647 VanDerWaalsContact CZ2-CE1 3.45Å; W609-H647 WeakPolarHBondContact CZ2-CE1 3.48Å; W609-H647 AromaticContact CZ2-NE2 3.23Å; W609-H647 WeakPolarHBondContact CZ2-NE2 3.34Å; W609-H647 AromaticContact CZ3-NE2 3.77Å; W609-L655 HydrophobicContact CH2-CD1 3.72Å; W609-L655 HydrophobicContact CZ2-CD1 4.35Å; W609-L696 HydrophobicContact CZ3-CD2 4.28Å
610K76.2Confident66.1Low38 Ų3865.1 Ų65.117%0.16541%0.41CS..Hα-helixtrans-60.7-45.7177-68.7174.4-168.41650111.9D606 L613 L614D606-K610 WeakPolarHBondContact O-CD 3.35Å; D606-K610 WeakPolarHBondContact O-CE 3.43Å; D606-K610 WeakPolarHBondContact O-CG 3.35Å; D606-K610 VanDerWaalsContact OD1-CE 3.24Å; D606-K610 WeakPolarHBondContact OD1-CE 3.5Å; D606-K610 IonicContact OD1-NZ 3.69Å; D606-K610 PolarHBondContact OD1-NZ 3.39Å; D606-K610 IonicContact OD2-NZ 3.7Å; D606-K610 PolarHBondContact OD2-NZ 3.28Å; K610-L613 PolarHBondContact O-N 3.1Å; K610-L614 WeakPolarHBondContact O-CB 3.28Å; K610-L614 WeakPolarHBondContact O-CG 3.29Å; K610-L614 PolarHBondContact O-N 3.03Å
611A77.1Confident68.9Low48 Ų4862.3 Ų62.340%0.39739%0.386SS..Hα-helixtrans-64-40.717500000111.8V607 Q608 W609 L614 N615V607-A611 PolarHBondContact O-N 2.91Å; Q608-A611 PolarHBondContact O-N 3.16Å; W609-A611 PolarHBondContact O-N 2.89Å; A611-L614 PolarHBondContact O-N 3.4Å; A611-N615 WeakPolarHBondContact O-CB 3.43Å; A611-N615 PolarHBondContact O-N 2.95Å; A611-N615 PolarHBondContact O-ND2 3.47Å; A611-N615 PolarHBondContact O-OD1 3.37Å
612S79.8Confident71Confident68 Ų6860.6 Ų60.648%0.47639%0.385SS..Hα-helixtrans-64.4-42.6177.7-160.90000112.5Q608 W609 L616Q608-S612 WeakPolarHBondContact O-CB 3.39Å; Q608-S612 PolarHBondContact O-N 3.2Å; W609-S612 PolarHBondContact O-N 3.04Å; S612-L616 WeakPolarHBondContact O-CG 3.49Å; S612-L616 PolarHBondContact O-N 3Å; S612-L616 VanDerWaalsContact O-N 3.08Å
613L81.1Confident73.2Confident2 Ų255.7 Ų55.71%0.0136%0.36CS..Hα-helixtrans-68.6-42.4176.3-69.5-173.8000112.4W609 K610 N615 L616 V617 I639 T642 W643W609-L613 HydrophobicContact CE3-CD1 3.52Å; W609-L613 HydrophobicContact CE3-CG 4.14Å; W609-L613 HydrophobicContact CZ3-CD1 3.59Å; W609-L613 WeakPolarHBondContact O-CG 3.33Å; W609-L613 PolarHBondContact O-N 2.86Å; K610-L613 PolarHBondContact O-N 3.1Å; L613-N615 VanDerWaalsContact C-N 3.29Å; L613-N615 PolarHBondContact O-N 2.94Å; L613-L616 HydrophobicContact CD2-CD1 4.38Å; L613-L616 PolarHBondContact O-N 2.95Å; L613-V617 WeakPolarHBondContact O-CB 3.47Å; L613-V617 WeakPolarHBondContact O-CG2 3.37Å; L613-V617 PolarHBondContact O-N 3.45Å; L613-I639 HydrophobicContact CD2-CG2 4.5Å; L613-T642 WeakPolarHBondContact CD2-OG1 3.46Å; L613-W643 HydrophobicContact CD1-CB 3.96Å; L613-W643 HydrophobicContact CD1-CD2 3.78Å; L613-W643 HydrophobicContact CD1-CE3 3.58Å; L613-W643 HydrophobicContact CD1-CG 4.01Å; L613-W643 HydrophobicContact CD1-CZ3 4.25Å
614L83.2Confident74.8Confident30 Ų3052 Ų5216%0.15732%0.321CS..Hα-helixtrans-58.6-42.5175.4-81.7169.4000111.5K610 A611 V617 H618 A693 L696 Q697K610-L614 WeakPolarHBondContact O-CB 3.28Å; K610-L614 WeakPolarHBondContact O-CG 3.29Å; K610-L614 PolarHBondContact O-N 3.03Å; A611-L614 PolarHBondContact O-N 3.4Å; L614-V617 PolarHBondContact O-N 3.07Å; L614-H618 WeakPolarHBondContact O-CB 3.31Å; L614-H618 VanDerWaalsContact O-CG 3.29Å; L614-H618 PolarHBondContact O-N 3.49Å; L614-A693 HydrophobicContact CD2-CB 4.49Å; L614-L696 HydrophobicContact CD1-CB 4.41Å; L614-L696 HydrophobicContact CD2-CB 3.6Å; L614-L696 HydrophobicContact CD2-CD1 4.02Å; L614-L696 HydrophobicContact CD2-CG 4.46Å; L614-L696 HydrophobicContact CG-CB 3.99Å; L614-L696 HydrophobicContact CG-CD1 4.25Å; L614-Q697 HydrophobicContact CD1-CG 4.25Å; L614-Q697 HydrophobicContact CD2-CG 3.92Å
615N83.2Confident76.3Confident114 Ų11454.2 Ų54.261%0.6134%0.337SS*.Hα-helixtrans-64-40.3175.7-69.3-12.5000112.3A611 L613 S619A611-N615 WeakPolarHBondContact O-CB 3.43Å; A611-N615 PolarHBondContact O-N 2.95Å; A611-N615 PolarHBondContact O-ND2 3.47Å; A611-N615 PolarHBondContact O-OD1 3.37Å; L613-N615 VanDerWaalsContact C-N 3.29Å; L613-N615 PolarHBondContact O-N 2.94Å; N615-S619 VanDerWaalsContact O-CB 3.25Å; N615-S619 WeakPolarHBondContact O-CB 3.4Å; N615-S619 PolarHBondContact O-N 3.26Å
616L84.3Confident77.5Confident57 Ų5756.2 Ų56.230%0.29834%0.343SS..Hα-helixtrans-65.7-47.3175-70.7168.4000111.6S612 L613 H618 S619 L620 I639S612-L616 WeakPolarHBondContact O-CG 3.49Å; S612-L616 PolarHBondContact O-N 3Å; S612-L616 VanDerWaalsContact O-N 3.08Å; L613-L616 HydrophobicContact CD2-CD1 4.38Å; L613-L616 PolarHBondContact O-N 2.95Å; L616-H618 PolarHBondContact O-N 3.45Å; L616-S619 WeakPolarHBondContact O-CB 3.26Å; L616-S619 PolarHBondContact O-N 2.98Å; L616-L620 WeakPolarHBondContact O-CG 3.45Å; L616-L620 PolarHBondContact O-N 3.09Å; L616-I639 HydrophobicContact CB-CD1 4.01Å; L616-I639 HydrophobicContact CB-CG1 3.8Å; L616-I639 HydrophobicContact CD1-CG1 4.41Å
617V85.3Confident78.6Confident0 Ų055 Ų550%034%0.336CS..Hα-helixtrans-58.7-45.9177.2169.50000111L613 L614 L620 L621 I639 L689 A693L613-V617 WeakPolarHBondContact O-CB 3.47Å; L613-V617 WeakPolarHBondContact O-CG2 3.37Å; L613-V617 PolarHBondContact O-N 3.45Å; L614-V617 PolarHBondContact O-N 3.07Å; V617-L620 PolarHBondContact O-N 2.64Å; V617-L621 VanDerWaalsContact O-CB 3.31Å; V617-L621 WeakPolarHBondContact O-CB 3.38Å; V617-L621 PolarHBondContact O-N 2.88Å; V617-I639 HydrophobicContact CG2-CD1 3.94Å; V617-I639 HydrophobicContact CG2-CG2 4.28Å; V617-L689 HydrophobicContact CB-CD2 4.48Å; V617-L689 HydrophobicContact CG1-CB 4.31Å; V617-L689 HydrophobicContact CG1-CD2 3.99Å; V617-L689 WeakPolarHBondContact CG1-O 3.47Å; V617-L689 HydrophobicContact CG2-CD2 4.35Å; V617-A693 HydrophobicContact CG1-CB 3.91Å
618H85.1Confident79.6Confident102 Ų10253.1 Ų53.147%0.47233%0.326SS..Hα-helixtrans-66.6-36.4175.9-70.5-178.1000112.6L614 L616 L621 G622 A693 Q697L614-H618 WeakPolarHBondContact O-CB 3.31Å; L614-H618 VanDerWaalsContact O-CG 3.29Å; L614-H618 PolarHBondContact O-N 3.49Å; L616-H618 PolarHBondContact O-N 3.45Å; H618-L621 PolarHBondContact O-N 3.43Å; H618-G622 PolarHBondContact O-N 3.39Å; H618-A693 WeakPolarHBondContact NE2-CB 3.41Å; H618-Q697 PolarHBondContact CE1-NE2 2.96Å; H618-Q697 PolarHBondContact NE2-NE2 2.89Å
619S85.3Confident80.3Confident65 Ų6548.4 Ų48.446%0.45530%0.304SS..Hα-helixtrans-65.3-37.7175.8-169.40000112.5N615 L616 T623N615-S619 VanDerWaalsContact O-CB 3.25Å; N615-S619 WeakPolarHBondContact O-CB 3.4Å; N615-S619 PolarHBondContact O-N 3.26Å; L616-S619 WeakPolarHBondContact O-CB 3.26Å; L616-S619 PolarHBondContact O-N 2.98Å; S619-T623 PolarHBondContact O-N 2.88Å; S619-T623 PolarHBondContact O-OG1 3.13Å
620L84.6Confident80.6Confident19 Ų1954 Ų5410%0.09933%0.325CS..Hα-helixtrans-75.5-38.4174.4-61.3-167.7000111.9L616 V617 G622 T623 A624 L627 S635 L636 I639 L689L616-L620 WeakPolarHBondContact O-CG 3.45Å; L616-L620 PolarHBondContact O-N 3.09Å; V617-L620 PolarHBondContact O-N 2.64Å; L620-G622 PolarHBondContact O-N 3.21Å; L620-T623 WeakPolarHBondContact CA-OG1 3.37Å; L620-T623 CarbonylContact O-C 3.56Å; L620-T623 PolarHBondContact O-N 2.79Å; L620-T623 PolarHBondContact O-OG1 3.33Å; L620-A624 WeakPolarHBondContact O-CB 3.48Å; L620-A624 PolarHBondContact O-N 3.07Å; L620-L627 HydrophobicContact CD2-CD1 4.45Å; L620-S635 VanDerWaalsContact CD1-CB 3.41Å; L620-S635 VanDerWaalsContact CD2-CB 3.47Å; L620-L636 HydrophobicContact CD1-CD2 4.32Å; L620-I639 HydrophobicContact CD1-CD1 3.46Å; L620-I639 VanDerWaalsContact CD1-CD1 3.46Å; L620-I639 HydrophobicContact CD1-CG1 4.35Å; L620-I639 HydrophobicContact CG-CD1 4.09Å; L620-L689 HydrophobicContact CB-CD1 4.22Å
621L85.3Confident81Confident49 Ų4955.7 Ų55.726%0.25734%0.336SS..Hα-helixtrans-57.7-38.7175.5-17560.7000111.8V617 H618 T623 Q686 E690V617-L621 VanDerWaalsContact O-CB 3.31Å; V617-L621 WeakPolarHBondContact O-CB 3.38Å; V617-L621 PolarHBondContact O-N 2.88Å; H618-L621 PolarHBondContact O-N 3.43Å; L621-T623 VanDerWaalsContact C-N 3.32Å; L621-T623 PolarHBondContact O-N 3.09Å; L621-Q686 HydrophobicContact CD1-CG 3.76Å; L621-E690 HydrophobicContact CD1-CG 3.76Å; L621-E690 HydrophobicContact CD2-CG 3.9Å
622G77.4Confident81.4Confident66 Ų6653.5 Ų53.568%0.6832%0.318SS*.THydrogen-bonded Turntrans-76.9-6.1174.700000116.1H618 L620H618-G622 PolarHBondContact O-N 3.39Å; L620-G622 PolarHBondContact O-N 3.21Å
623T78.4Confident81.6Confident48 Ų4850.8 Ų50.829%0.29430%0.299SS..THydrogen-bonded Turntrans-128.4-9.3-17753.20000114.8S619 L620 L621 S625 S626 L627S619-T623 PolarHBondContact O-N 2.88Å; S619-T623 PolarHBondContact O-OG1 3.13Å; L620-T623 WeakPolarHBondContact CA-OG1 3.37Å; L620-T623 CarbonylContact O-C 3.56Å; L620-T623 PolarHBondContact O-N 2.79Å; L620-T623 PolarHBondContact O-OG1 3.33Å; L621-T623 VanDerWaalsContact C-N 3.32Å; L621-T623 PolarHBondContact O-N 3.09Å; T623-S625 PolarHBondContact O-N 3.4Å; T623-S625 VanDerWaalsContact O-N 3.12Å; T623-S626 WeakPolarHBondContact O-CA 3.47Å; T623-S626 PolarHBondContact O-N 3.44Å; T623-S626 PolarHBondContact O-OG 3.24Å; T623-L627 PolarHBondContact O-N 3.39Å
624A75.7Confident81.9Confident7 Ų754.2 Ų54.26%0.05832%0.321CS..G310 helixtrans-55.5-34.1-174.200000114.2L620 S626 L632 L682L620-A624 WeakPolarHBondContact O-CB 3.48Å; L620-A624 PolarHBondContact O-N 3.07Å; A624-S626 PolarHBondContact O-N 3.14Å; A624-L632 HydrophobicContact CB-CD1 4.09Å; A624-L682 VanDerWaalsContact O-CD2 3.27Å; A624-L682 WeakPolarHBondContact O-CD2 3.3Å
625S74.3Confident82.1Confident107 Ų10754 Ų5475%0.74832%0.322SS*.G310 helixtrans-72.6-7175.953.20000114.8T623T623-S625 PolarHBondContact O-N 3.4Å; T623-S625 VanDerWaalsContact O-N 3.12Å
626S73.8Confident82.3Confident92 Ų9248.7 Ų48.764%0.64329%0.293SS*.G310 helixtrans-119.5-7.2-175.867.90000114.6T623 A624T623-S626 WeakPolarHBondContact O-CA 3.47Å; T623-S626 PolarHBondContact O-N 3.44Å; T623-S626 PolarHBondContact O-OG 3.24Å; A624-S626 PolarHBondContact O-N 3.14Å
627L77.7Confident82.4Confident45 Ų4547.6 Ų47.624%0.23629%0.292CS..SBendtrans-94.2150-177.1-69.4170.8000111.8L620 T623 D631 L632L620-L627 HydrophobicContact CD2-CD1 4.45Å; T623-L627 PolarHBondContact O-N 3.39Å; L627-D631 HydrophobicContact CB-CB 4.36Å; L627-D631 HydrophobicContact CD2-CB 4.06Å; L627-L632 HydrophobicContact CB-CB 4.35Å
628S80.5Confident82.6Confident33 Ų3353.5 Ų53.523%0.23132%0.32CS..  trans-68.8158.5167.181.70000110.5R630 D631 L632S628-R630 PolarHBondContact O-N 2.84Å; S628-D631 WeakPolarHBondContact CB-OD2 3.37Å; S628-D631 PolarHBondContact O-N 3.42Å; S628-D631 VanDerWaalsContact O-N 3.11Å; S628-D631 PolarHBondContact OG-N 3.18Å; S628-D631 PolarHBondContact OG-OD2 2.89Å; S628-L632 WeakPolarHBondContact O-CB 3.37Å; S628-L632 PolarHBondContact O-N 3.24Å
629S81.6Confident82.6Confident0 Ų048.8 Ų48.80%030%0.298CS..Hα-helixtrans-60.4-31.3178.756.80000112.3A633 I672 G673 A675S629-A633 VanDerWaalsContact O-CB 3.23Å; S629-A633 WeakPolarHBondContact O-CB 3.36Å; S629-A633 PolarHBondContact O-N 3.24Å; S629-I672 VanDerWaalsContact OG-CG2 3.29Å; S629-I672 WeakPolarHBondContact OG-CG2 3.47Å; S629-G673 PolarHBondContact OG-O 2.87Å; S629-A675 WeakPolarHBondContact CB-O 3.12Å; S629-A675 PolarHBondContact OG-O 3.33Å
630R82.8Confident82.6Confident145 Ų14546.4 Ų46.455%0.54728%0.28SS..Hα-helixtrans-62.2-51.7170-179174.4-170.4136.42.4113.2S628 L632 A633 T634 G673 N674S628-R630 PolarHBondContact O-N 2.84Å; R630-L632 VanDerWaalsContact C-N 3.29Å; R630-L632 PolarHBondContact O-N 3.01Å; R630-A633 PolarHBondContact O-N 3.01Å; R630-T634 PolarHBondContact O-N 3.43Å; R630-T634 PolarHBondContact O-OG1 3.47Å; R630-G673 VanDerWaalsContact CB-O 3.32Å; R630-G673 WeakPolarHBondContact CB-O 3.4Å; R630-G673 PolarHBondContact N-O 2.95Å; R630-N674 WeakPolarHBondContact CD-OD1 3.39Å; R630-N674 PolarHBondContact NH1-OD1 2.79Å
631D84.3Confident82.6Confident73 Ų7349 Ų4939%0.3930%0.3SS..Hα-helixtrans-68.8-34.8-176-54.6-49.2000110.9L627 S628 T634 S635L627-D631 HydrophobicContact CB-CB 4.36Å; L627-D631 HydrophobicContact CD2-CB 4.06Å; S628-D631 WeakPolarHBondContact CB-OD2 3.37Å; S628-D631 PolarHBondContact O-N 3.42Å; S628-D631 VanDerWaalsContact O-N 3.11Å; S628-D631 PolarHBondContact OG-N 3.18Å; S628-D631 PolarHBondContact OG-OD2 2.89Å; D631-T634 WeakPolarHBondContact CA-OG1 3.43Å; D631-T634 PolarHBondContact O-OG1 3.39Å; D631-S635 VanDerWaalsContact O-CB 3.32Å; D631-S635 WeakPolarHBondContact O-CB 3.41Å; D631-S635 PolarHBondContact O-N 3.25Å; D631-S635 PolarHBondContact O-OG 3.25Å
632L85.1Confident82.5Confident2 Ų249.3 Ų49.31%0.0130%0.304CS..Hα-helixtrans-64.9-45.1172-154.6159.5000110.5A624 L627 S628 R630 S635 L636 L669 L682 V685A624-L632 HydrophobicContact CB-CD1 4.09Å; L627-L632 HydrophobicContact CB-CB 4.35Å; S628-L632 WeakPolarHBondContact O-CB 3.37Å; S628-L632 PolarHBondContact O-N 3.24Å; R630-L632 VanDerWaalsContact C-N 3.29Å; R630-L632 PolarHBondContact O-N 3.01Å; L632-S635 PolarHBondContact O-N 3.01Å; L632-L636 HydrophobicContact CD2-CD1 3.64Å; L632-L636 HydrophobicContact CD2-CG 3.96Å; L632-L636 WeakPolarHBondContact O-CG 3.38Å; L632-L636 PolarHBondContact O-N 3.15Å; L632-L669 HydrophobicContact CD2-CD1 3.53Å; L632-L669 HydrophobicContact CD2-CD2 4.27Å; L632-L682 HydrophobicContact CD1-CD2 4.01Å; L632-V685 HydrophobicContact CD1-CG1 4.14Å; L632-V685 HydrophobicContact CD2-CB 4.49Å; L632-V685 HydrophobicContact CD2-CG1 3.63Å; L632-V685 HydrophobicContact CD2-CG2 4.02Å; L632-V685 HydrophobicContact CG-CG1 4.43Å
633A85.6Confident82.8Confident11 Ų1146.4 Ų46.49%0.09127%0.272CS..Hα-helixtrans-62.9-43.1175.700000113S629 R630 S635 L636 A637 L666 L669S629-A633 VanDerWaalsContact O-CB 3.23Å; S629-A633 WeakPolarHBondContact O-CB 3.36Å; S629-A633 PolarHBondContact O-N 3.24Å; R630-A633 PolarHBondContact O-N 3.01Å; A633-S635 VanDerWaalsContact C-N 3.34Å; A633-S635 PolarHBondContact O-N 3.29Å; A633-L636 PolarHBondContact O-N 2.89Å; A633-A637 WeakPolarHBondContact O-CB 3.45Å; A633-A637 PolarHBondContact O-N 2.86Å; A633-L666 HydrophobicContact CB-CD1 3.96Å; A633-L666 WeakPolarHBondContact O-CD1 3.41Å; A633-L669 HydrophobicContact CB-CB 3.95Å
634T87.2Confident82.9Confident74 Ų7451.5 Ų51.545%0.45429%0.291SS..Hα-helixtrans-64-41.4176.152.50000111.2R630 D631 A637 E638R630-T634 PolarHBondContact O-N 3.43Å; R630-T634 PolarHBondContact O-OG1 3.47Å; D631-T634 WeakPolarHBondContact CA-OG1 3.43Å; D631-T634 PolarHBondContact O-OG1 3.39Å; T634-A637 CarbonylContact O-C 3.55Å; T634-A637 WeakPolarHBondContact O-CB 3.41Å; T634-A637 PolarHBondContact O-N 3.01Å; T634-E638 PolarHBondContact O-N 3.3Å
635S86.7Confident83Confident26 Ų2655.4 Ų55.418%0.18232%0.323CS..Hα-helixtrans-68.7-37.8179.4-54.60000113L620 D631 L632 A633 A637 E638 I639L620-S635 VanDerWaalsContact CD1-CB 3.41Å; L620-S635 VanDerWaalsContact CD2-CB 3.47Å; D631-S635 VanDerWaalsContact O-CB 3.32Å; D631-S635 WeakPolarHBondContact O-CB 3.41Å; D631-S635 PolarHBondContact O-N 3.25Å; D631-S635 PolarHBondContact O-OG 3.25Å; L632-S635 PolarHBondContact O-N 3.01Å; A633-S635 VanDerWaalsContact C-N 3.34Å; A633-S635 PolarHBondContact O-N 3.29Å; S635-A637 VanDerWaalsContact C-N 3.34Å; S635-E638 PolarHBondContact O-N 3.2Å; S635-I639 PolarHBondContact O-N 3.04Å
636L87.6Confident83Confident1 Ų152.4 Ų52.41%0.00530%0.302CS..Hα-helixtrans-64.6-38.3169.7-74.3-179.5000111.7L620 L632 A633 E638 I639 L640 L662 L666 L669 L689L620-L636 HydrophobicContact CD1-CD2 4.32Å; L632-L636 HydrophobicContact CD2-CD1 3.64Å; L632-L636 HydrophobicContact CD2-CG 3.96Å; L632-L636 WeakPolarHBondContact O-CG 3.38Å; L632-L636 PolarHBondContact O-N 3.15Å; A633-L636 PolarHBondContact O-N 2.89Å; L636-E638 VanDerWaalsContact C-N 3.32Å; L636-E638 PolarHBondContact O-N 3.37Å; L636-I639 PolarHBondContact O-N 3.42Å; L636-L640 WeakPolarHBondContact O-CB 3.4Å; L636-L640 WeakPolarHBondContact O-CG 3.37Å; L636-L640 PolarHBondContact O-N 3.36Å; L636-L662 HydrophobicContact CD2-CD2 4.28Å; L636-L666 HydrophobicContact CB-CD1 4.22Å; L636-L669 HydrophobicContact CD1-CD1 3.45Å; L636-L669 VanDerWaalsContact CD1-CD1 3.45Å; L636-L689 HydrophobicContact CD2-CD2 3.89Å; L636-L689 HydrophobicContact CD2-CG 4.44Å
637A86.8Confident82.7Confident34 Ų3450.1 Ų50.128%0.28128%0.281SS..Hα-helixtrans-65-34174.100000112.3A633 T634 S635 S641 L666A633-A637 WeakPolarHBondContact O-CB 3.45Å; A633-A637 PolarHBondContact O-N 2.86Å; T634-A637 CarbonylContact O-C 3.55Å; T634-A637 WeakPolarHBondContact O-CB 3.41Å; T634-A637 PolarHBondContact O-N 3.01Å; S635-A637 VanDerWaalsContact C-N 3.34Å; A637-S641 WeakPolarHBondContact O-CB 3.42Å; A637-S641 PolarHBondContact O-N 3.41Å; A637-S641 PolarHBondContact O-OG 3.49Å; A637-L666 HydrophobicContact CB-CD1 4.36Å; A637-L666 HydrophobicContact CB-CD2 4.34Å
638E87.9Confident81.7Confident125 Ų12553.6 Ų53.658%0.58432%0.316SS*.Hα-helixtrans-65.9-42.8171-72.9-16816800112.2T634 S635 L636 S641 T642T634-E638 PolarHBondContact O-N 3.3Å; S635-E638 PolarHBondContact O-N 3.2Å; L636-E638 VanDerWaalsContact C-N 3.32Å; L636-E638 PolarHBondContact O-N 3.37Å; E638-S641 PolarHBondContact O-N 3Å; E638-T642 WeakPolarHBondContact O-CB 3.41Å; E638-T642 WeakPolarHBondContact O-CG2 3.19Å; E638-T642 PolarHBondContact O-N 2.94Å; E638-T642 PolarHBondContact O-OG1 3.46Å
639I86.6Confident81Confident2 Ų254.4 Ų54.41%0.0133%0.33CS..Hα-helixtrans-61.2-48.8174.1-70.2177.7000110.7L613 L616 V617 L620 S635 L636 S641 T642 W643 L662L613-I639 HydrophobicContact CD2-CG2 4.5Å; L616-I639 HydrophobicContact CB-CD1 4.01Å; L616-I639 HydrophobicContact CB-CG1 3.8Å; L616-I639 HydrophobicContact CD1-CG1 4.41Å; V617-I639 HydrophobicContact CG2-CD1 3.94Å; V617-I639 HydrophobicContact CG2-CG2 4.28Å; L620-I639 HydrophobicContact CD1-CD1 3.46Å; L620-I639 VanDerWaalsContact CD1-CD1 3.46Å; L620-I639 HydrophobicContact CD1-CG1 4.35Å; L620-I639 HydrophobicContact CG-CD1 4.09Å; S635-I639 PolarHBondContact O-N 3.04Å; L636-I639 PolarHBondContact O-N 3.42Å; I639-S641 VanDerWaalsContact C-N 3.29Å; I639-S641 PolarHBondContact O-N 3.11Å; I639-T642 WeakPolarHBondContact CA-OG1 3.32Å; I639-T642 PolarHBondContact O-N 3.28Å; I639-T642 PolarHBondContact O-OG1 2.89Å; I639-T642 VanDerWaalsContact O-OG1 3.07Å; I639-W643 VanDerWaalsContact O-CB 3.23Å; I639-W643 WeakPolarHBondContact O-CB 3.45Å; I639-W643 PolarHBondContact O-N 3.17Å; I639-L662 HydrophobicContact CG2-CD1 4.26Å
640L85.4Confident80.1Confident15 Ų1562.2 Ų62.28%0.07937%0.372CS..Hα-helixtrans-65.1-32.7179-70.3165.1000112.4L636 K644 W659 L662 L666L636-L640 WeakPolarHBondContact O-CB 3.4Å; L636-L640 WeakPolarHBondContact O-CG 3.37Å; L636-L640 PolarHBondContact O-N 3.36Å; L640-K644 VanDerWaalsContact O-CB 3.27Å; L640-K644 WeakPolarHBondContact O-CB 3.28Å; L640-K644 PolarHBondContact O-N 3.39Å; L640-W659 HydrophobicContact CD2-CD2 4.4Å; L640-W659 HydrophobicContact CD2-CG 4.1Å; L640-L662 HydrophobicContact CD2-CB 3.93Å; L640-L662 HydrophobicContact CG-CB 4.46Å; L640-L666 HydrophobicContact CD1-CB 4.46Å; L640-L666 HydrophobicContact CD1-CD2 3.95Å
641S84.2Confident79.6Confident75 Ų7556.9 Ų56.952%0.52436%0.356SS..Hα-helixtrans-74.7-42.9176.9-62.60000112.5A637 E638 I639 W643 K644 A645A637-S641 WeakPolarHBondContact O-CB 3.42Å; A637-S641 PolarHBondContact O-N 3.41Å; A637-S641 PolarHBondContact O-OG 3.49Å; E638-S641 PolarHBondContact O-N 3Å; I639-S641 VanDerWaalsContact C-N 3.29Å; I639-S641 PolarHBondContact O-N 3.11Å; S641-W643 VanDerWaalsContact C-N 3.33Å; S641-K644 PolarHBondContact O-N 3.17Å; S641-A645 WeakPolarHBondContact O-CB 3.35Å; S641-A645 PolarHBondContact O-N 3.27Å
642T82Confident79.1Confident55 Ų5556.1 Ų56.134%0.33735%0.354SS..Hα-helixtrans-67.6-34.7175.247.50000111.6L613 E638 I639 S646L613-T642 WeakPolarHBondContact CD2-OG1 3.46Å; E638-T642 WeakPolarHBondContact O-CB 3.41Å; E638-T642 WeakPolarHBondContact O-CG2 3.19Å; E638-T642 PolarHBondContact O-N 2.94Å; E638-T642 PolarHBondContact O-OG1 3.46Å; I639-T642 WeakPolarHBondContact CA-OG1 3.32Å; I639-T642 PolarHBondContact O-N 3.28Å; I639-T642 PolarHBondContact O-OG1 2.89Å; I639-T642 VanDerWaalsContact O-OG1 3.07Å; T642-S646 WeakPolarHBondContact O-CB 3.47Å; T642-S646 PolarHBondContact O-N 3.14Å; T642-S646 VanDerWaalsContact O-N 3.13Å; T642-S646 PolarHBondContact O-OG 2.68Å
643W84.4Confident78.7Confident4 Ų461.1 Ų61.12%0.01539%0.387CS..Hα-helixtrans-60.4-51.5168.9-163.5-56.1000111.6L613 I639 S641 A645 S646 H647 L655 A658 W659 L696L613-W643 HydrophobicContact CD1-CB 3.96Å; L613-W643 HydrophobicContact CD1-CD2 3.78Å; L613-W643 HydrophobicContact CD1-CE3 3.58Å; L613-W643 HydrophobicContact CD1-CG 4.01Å; L613-W643 HydrophobicContact CD1-CZ3 4.25Å; I639-W643 VanDerWaalsContact O-CB 3.23Å; I639-W643 WeakPolarHBondContact O-CB 3.45Å; I639-W643 PolarHBondContact O-N 3.17Å; S641-W643 VanDerWaalsContact C-N 3.33Å; W643-A645 VanDerWaalsContact C-N 3.34Å; W643-A645 PolarHBondContact O-N 3.27Å; W643-S646 PolarHBondContact O-N 3.27Å; W643-S646 VanDerWaalsContact O-N 3.09Å; W643-H647 AromaticContact CD1-CD2 3.62Å; W643-H647 AromaticContact NE1-CD2 3.66Å; W643-H647 AromaticContact NE1-NE2 3.9Å; W643-H647 PolarHBondContact O-N 3.04Å; W643-L655 HydrophobicContact CH2-CD2 4.03Å; W643-L655 HydrophobicContact CZ2-CB 3.82Å; W643-L655 HydrophobicContact CZ2-CD2 3.79Å; W643-L655 HydrophobicContact CZ2-CG 4.31Å; W643-L655 WeakPolarHBondContact CZ2-O 3.46Å; W643-A658 HydrophobicContact CH2-CB 3.64Å; W643-A658 HydrophobicContact CZ2-CB 4.26Å; W643-A658 HydrophobicContact CZ3-CB 4.41Å; W643-W659 AromaticContact CD1-CD1 3.64Å; W643-W659 HydrophobicContact CD2-CB 4.47Å; W643-W659 AromaticContact CG-CD1 3.69Å; W643-W659 HydrophobicContact CZ2-CB 4.38Å; W643-L696 HydrophobicContact CH2-CD1 4.19Å; W643-L696 HydrophobicContact CH2-CD2 3.9Å; W643-L696 HydrophobicContact CH2-CG 4.02Å; W643-L696 HydrophobicContact CZ3-CD1 3.93Å; W643-L696 HydrophobicContact CZ3-CD2 4.25Å; W643-L696 HydrophobicContact CZ3-CG 4.28Å
644K80.5Confident78.3Confident156 Ų15662.3 Ų62.368%0.67839%0.394SS*.Hα-helixtrans-63.6-36.5179.5-173.9174.2-179.3177.40112.8L640 S641 S646L640-K644 VanDerWaalsContact O-CB 3.27Å; L640-K644 WeakPolarHBondContact O-CB 3.28Å; L640-K644 PolarHBondContact O-N 3.39Å; S641-K644 PolarHBondContact O-N 3.17Å; K644-S646 VanDerWaalsContact C-N 3.27Å; K644-S646 PolarHBondContact O-N 3.07Å
645A78.1Confident77.8Confident89 Ų8958.9 Ų58.974%0.73637%0.373SS*.Hα-helixtrans-69.8-23.4174.500000113.3S641 W643S641-A645 WeakPolarHBondContact O-CB 3.35Å; S641-A645 PolarHBondContact O-N 3.27Å; W643-A645 VanDerWaalsContact C-N 3.34Å; W643-A645 PolarHBondContact O-N 3.27Å
646S74.3Confident77.6Confident44 Ų4461.4 Ų61.431%0.30838%0.382SS..Hα-helixtrans-87-15-179.3-58.10000113.8W609 T642 W643 K644W609-S646 WeakPolarHBondContact CB-OG 3.33Å; T642-S646 WeakPolarHBondContact O-CB 3.47Å; T642-S646 PolarHBondContact O-N 3.14Å; T642-S646 VanDerWaalsContact O-N 3.13Å; T642-S646 PolarHBondContact O-OG 2.68Å; W643-S646 PolarHBondContact O-N 3.27Å; W643-S646 VanDerWaalsContact O-N 3.09Å; K644-S646 VanDerWaalsContact C-N 3.27Å; K644-S646 PolarHBondContact O-N 3.07Å
647H67.6Low77.3Confident43 Ų4365.9 Ų65.920%0.19940%0.403CS..  trans-121.294.2-176.6-77.2-76000112.2W609 W643 G649W609-H647 AromaticContact CH2-CE1 3.73Å; W609-H647 AromaticContact CH2-NE2 3.09Å; W609-H647 WeakPolarHBondContact CH2-NE2 3.31Å; W609-H647 AromaticContact CZ2-CE1 3.45Å; W609-H647 VanDerWaalsContact CZ2-CE1 3.45Å; W609-H647 WeakPolarHBondContact CZ2-CE1 3.48Å; W609-H647 AromaticContact CZ2-NE2 3.23Å; W609-H647 WeakPolarHBondContact CZ2-NE2 3.34Å; W609-H647 AromaticContact CZ3-NE2 3.77Å; W643-H647 AromaticContact CD1-CD2 3.62Å; W643-H647 AromaticContact NE1-CD2 3.66Å; W643-H647 AromaticContact NE1-NE2 3.9Å; W643-H647 PolarHBondContact O-N 3.04Å; H647-G649 VanDerWaalsContact C-N 3.25Å; H647-G649 PolarHBondContact O-N 3.21Å
648A56.8Low77.2Confident119 Ų11964.3 Ų64.398%0.98339%0.389SS*.SBendtrans-86.516.417400000114.1
649G65.6Low77.1Confident49 Ų4962 Ų6251%0.50538%0.375SS..SBendtrans-170.6172.7-178.900000110.6H647 P651H647-G649 VanDerWaalsContact C-N 3.25Å; H647-G649 PolarHBondContact O-N 3.21Å; G649-P651 WeakPolarHBondContact O-CD 3.49Å; G649-P651 VanDerWaalsContact O-N 3.16Å
650D63.2Low77.1Confident165 Ų16564.4 Ų64.488%0.88239%0.39SS*.  trans-50.2115-167.2-61.7-33.2000113.5
651P71Confident77Confident33 Ų3368 Ų6821%0.21440%0.403CS..  trans-71.8146.8174.430-33.7000110.2G649 L655 Q656G649-P651 WeakPolarHBondContact O-CD 3.49Å; G649-P651 VanDerWaalsContact O-N 3.16Å; P651-L655 HydrophobicContact CB-CB 4.34Å; P651-Q656 HydrophobicContact CG-CB 4.26Å
652P74.8Confident77.1Confident56 Ų5664.4 Ų64.436%0.36438%0.378SS..  trans-63.3148.5177.827.6-35.2000110.9P654 L655 Q656P652-P654 VanDerWaalsContact C-CD 3.48Å; P652-P654 VanDerWaalsContact O-N 3.13Å; P652-L655 HydrophobicContact CG-CB 4.13Å; P652-L655 HydrophobicContact CG-CD1 3.65Å; P652-L655 HydrophobicContact CG-CG 3.93Å; P652-L655 WeakPolarHBondContact O-CA 3.29Å; P652-L655 WeakPolarHBondContact O-CB 3.31Å; P652-L655 PolarHBondContact O-N 2.93Å; P652-Q656 PolarHBondContact O-N 2.81Å; P652-Q656 VanDerWaalsContact O-N 3.15Å
653P77.4Confident77.4Confident107 Ų10763.1 Ų63.170%0.69537%0.371SS*.Hα-helixtrans-46.3-44.9-171.4-31.535.7000117.9L655 Q656 Q657P653-L655 VanDerWaalsContact C-N 3.26Å; P653-L655 PolarHBondContact O-N 2.94Å; P653-Q656 PolarHBondContact O-N 2.98Å; P653-Q657 WeakPolarHBondContact O-CB 3.43Å; P653-Q657 PolarHBondContact O-N 3.28Å
654P76.1Confident77.6Confident36 Ų3667.9 Ų67.923%0.23440%0.397CS..Hα-helixtrans-65.6-27.7178.125.4-35.2000113.4P652 A658 L695P652-P654 VanDerWaalsContact C-CD 3.48Å; P652-P654 VanDerWaalsContact O-N 3.13Å; P654-A658 PolarHBondContact O-N 3.48Å; P654-A658 VanDerWaalsContact O-N 3.13Å; P654-L695 HydrophobicContact CB-CD2 4.02Å
655L76.4Confident77.9Confident3 Ų361 Ų612%0.01637%0.367CS..Hα-helixtrans-76.5-39.2174.4-69.4-173.3000111.5W609 W643 P651 P652 P653 Q657 A658 W659 L696 Q699W609-L655 HydrophobicContact CH2-CD1 3.72Å; W609-L655 HydrophobicContact CZ2-CD1 4.35Å; W643-L655 HydrophobicContact CH2-CD2 4.03Å; W643-L655 HydrophobicContact CZ2-CB 3.82Å; W643-L655 HydrophobicContact CZ2-CD2 3.79Å; W643-L655 HydrophobicContact CZ2-CG 4.31Å; W643-L655 WeakPolarHBondContact CZ2-O 3.46Å; P651-L655 HydrophobicContact CB-CB 4.34Å; P652-L655 HydrophobicContact CG-CB 4.13Å; P652-L655 HydrophobicContact CG-CD1 3.65Å; P652-L655 HydrophobicContact CG-CG 3.93Å; P652-L655 WeakPolarHBondContact O-CA 3.29Å; P652-L655 WeakPolarHBondContact O-CB 3.31Å; P652-L655 PolarHBondContact O-N 2.93Å; P653-L655 VanDerWaalsContact C-N 3.26Å; P653-L655 PolarHBondContact O-N 2.94Å; L655-Q657 VanDerWaalsContact C-N 3.28Å; L655-Q657 PolarHBondContact O-N 2.89Å; L655-A658 PolarHBondContact O-N 3.29Å; L655-W659 WeakPolarHBondContact O-CB 3.39Å; L655-W659 PolarHBondContact O-N 3.03Å; L655-L696 HydrophobicContact CD2-CD2 3.65Å; L655-L696 HydrophobicContact CD2-CG 4.29Å; L655-Q699 HydrophobicContact CD2-CG 4.19Å; L655-Q699 HydrophobicContact CG-CG 4.38Å
656Q82.9Confident78.4Confident78 Ų7858.8 Ų58.836%0.36434%0.343SS..Hα-helixtrans-61.4-39.3170.9-172.758.728.200111.3P651 P652 P653 W659 V660P651-Q656 HydrophobicContact CG-CB 4.26Å; P652-Q656 PolarHBondContact O-N 2.81Å; P652-Q656 VanDerWaalsContact O-N 3.15Å; P653-Q656 PolarHBondContact O-N 2.98Å; Q656-W659 PolarHBondContact O-N 3.2Å; Q656-V660 WeakPolarHBondContact O-CG2 3.47Å; Q656-V660 PolarHBondContact O-N 2.85Å
657Q81.8Confident78.9Confident96 Ų9660.4 Ų60.445%0.44935%0.353SS..Hα-helixtrans-65.3-41.6178.5-166.6-179.420.900112.7P653 L655 R661P653-Q657 WeakPolarHBondContact O-CB 3.43Å; P653-Q657 PolarHBondContact O-N 3.28Å; L655-Q657 VanDerWaalsContact C-N 3.28Å; L655-Q657 PolarHBondContact O-N 2.89Å; Q657-R661 VanDerWaalsContact O-CG 3.3Å; Q657-R661 WeakPolarHBondContact O-CG 3.41Å; Q657-R661 PolarHBondContact O-N 3.49Å
658A83.4Confident79.6Confident0 Ų060.3 Ų60.30%036%0.36CS..Hα-helixtrans-64-44.8173.600000111.9W643 P654 L655 V660 R661 L662 L695W643-A658 HydrophobicContact CH2-CB 3.64Å; W643-A658 HydrophobicContact CZ2-CB 4.26Å; W643-A658 HydrophobicContact CZ3-CB 4.41Å; P654-A658 PolarHBondContact O-N 3.48Å; P654-A658 VanDerWaalsContact O-N 3.13Å; L655-A658 PolarHBondContact O-N 3.29Å; A658-V660 PolarHBondContact O-N 3.42Å; A658-R661 PolarHBondContact O-N 2.89Å; A658-L662 WeakPolarHBondContact O-CG 3.31Å; A658-L662 PolarHBondContact O-N 3.42Å; A658-L662 VanDerWaalsContact O-N 3.11Å; A658-L695 HydrophobicContact CB-CB 4.38Å; A658-L695 HydrophobicContact CB-CD1 3.98Å
659W85.9Confident80.8Confident76 Ų7654.7 Ų54.729%0.28831%0.313SS..Hα-helixtrans-60.1-45.2178-175.788.4000112.4L640 W643 L655 Q656 L662 S663L640-W659 HydrophobicContact CD2-CD2 4.4Å; L640-W659 HydrophobicContact CD2-CG 4.1Å; W643-W659 AromaticContact CD1-CD1 3.64Å; W643-W659 HydrophobicContact CD2-CB 4.47Å; W643-W659 AromaticContact CG-CD1 3.69Å; W643-W659 HydrophobicContact CZ2-CB 4.38Å; L655-W659 WeakPolarHBondContact O-CB 3.39Å; L655-W659 PolarHBondContact O-N 3.03Å; Q656-W659 PolarHBondContact O-N 3.2Å; W659-L662 PolarHBondContact O-N 3.04Å; W659-S663 WeakPolarHBondContact O-CB 3.45Å; W659-S663 PolarHBondContact O-N 3.22Å; W659-S663 PolarHBondContact O-OG 3.39Å
660V87.2Confident81.7Confident53 Ų5356.1 Ų56.132%0.32132%0.315SS..Hα-helixtrans-59.1-52176.7169.50000110.7Q656 A658 L662 S663 D664Q656-V660 WeakPolarHBondContact O-CG2 3.47Å; Q656-V660 PolarHBondContact O-N 2.85Å; A658-V660 PolarHBondContact O-N 3.42Å; V660-L662 VanDerWaalsContact C-N 3.3Å; V660-L662 PolarHBondContact O-N 3.43Å; V660-S663 WeakPolarHBondContact CA-OG 3.36Å; V660-S663 CarbonylContact O-C 3.46Å; V660-S663 WeakPolarHBondContact O-CA 3.47Å; V660-S663 PolarHBondContact O-N 3.34Å; V660-S663 PolarHBondContact O-OG 3.2Å; V660-D664 WeakPolarHBondContact CG1-OD2 3.41Å; V660-D664 VanDerWaalsContact O-CG 3.24Å; V660-D664 PolarHBondContact O-N 3.06Å
661R83.9Confident82.5Confident90 Ų9052.4 Ų52.434%0.3431%0.307SS..Hα-helixtrans-56.8-38.3-179.9-72.4170.3-177-91.87.1113.8Q657 A658 E691Q657-R661 VanDerWaalsContact O-CG 3.3Å; Q657-R661 WeakPolarHBondContact O-CG 3.41Å; Q657-R661 PolarHBondContact O-N 3.49Å; A658-R661 PolarHBondContact O-N 2.89Å; R661-E691 IonicContact CZ-OE2 3.85Å; R661-E691 IonicContact NE-OE2 2.66Å; R661-E691 IonicContact NH1-OE2 2.89Å; R661-E691 PolarHBondContact NH1-OE2 3.36Å; R661-E691 IonicContact NH2-OE2 3.24Å
662L86.4Confident82.8Confident0 Ų053.2 Ų53.20%031%0.309CS..Hα-helixtrans-74.5-32.3175.6-66.9175.7000111.9L636 I639 L640 A658 W659 V660 L689 S692L636-L662 HydrophobicContact CD2-CD2 4.28Å; I639-L662 HydrophobicContact CG2-CD1 4.26Å; L640-L662 HydrophobicContact CD2-CB 3.93Å; L640-L662 HydrophobicContact CG-CB 4.46Å; A658-L662 WeakPolarHBondContact O-CG 3.31Å; A658-L662 PolarHBondContact O-N 3.42Å; A658-L662 VanDerWaalsContact O-N 3.11Å; W659-L662 PolarHBondContact O-N 3.04Å; V660-L662 VanDerWaalsContact C-N 3.3Å; V660-L662 PolarHBondContact O-N 3.43Å; L662-L689 HydrophobicContact CD2-CD2 3.88Å; L662-L689 HydrophobicContact CD2-CG 4.2Å; L662-S692 WeakPolarHBondContact CG-OG 3.11Å
663S87.9Confident82.7Confident29 Ų2952 Ų5220%0.20331%0.307CS..Hα-helixtrans-73.1-32.9176.676.80000113.6W659 V660 V665 L666 P667W659-S663 WeakPolarHBondContact O-CB 3.45Å; W659-S663 PolarHBondContact O-N 3.22Å; W659-S663 PolarHBondContact O-OG 3.39Å; V660-S663 WeakPolarHBondContact CA-OG 3.36Å; V660-S663 CarbonylContact O-C 3.46Å; V660-S663 WeakPolarHBondContact O-CA 3.47Å; V660-S663 PolarHBondContact O-N 3.34Å; V660-S663 PolarHBondContact O-OG 3.2Å; S663-V665 VanDerWaalsContact C-N 3.31Å; S663-V665 PolarHBondContact O-N 3.26Å; S663-L666 PolarHBondContact O-N 3.25Å; S663-P667 WeakPolarHBondContact O-CD 3.45Å
664D88.4Confident82.4Confident104 Ų10452.5 Ų52.556%0.55630%0.304SS*.Hα-helixtrans-67.5-30.1-179.1-65.5-32.1000112.7V660V660-D664 WeakPolarHBondContact CG1-OD2 3.41Å; V660-D664 VanDerWaalsContact O-CG 3.24Å; V660-D664 PolarHBondContact O-N 3.06Å
665V87.3Confident82.2Confident10 Ų1053 Ų536%0.06131%0.311CS..Hα-helixtrans-85.5-21.6-178.9-173.90000112.1S663 A668 L669 L684 V685S663-V665 VanDerWaalsContact C-N 3.31Å; S663-V665 PolarHBondContact O-N 3.26Å; V665-A668 PolarHBondContact O-N 2.9Å; V665-L669 HydrophobicContact CG1-CD1 4.07Å; V665-L669 HydrophobicContact CG1-CG 4.34Å; V665-L669 PolarHBondContact O-N 3.33Å; V665-L684 HydrophobicContact CG2-CD2 4.12Å; V665-L684 HydrophobicContact CG2-CG 4.1Å; V665-V685 HydrophobicContact CG1-CG2 3.51Å
666L87.8Confident81.9Confident44 Ų4458.2 Ų58.223%0.2335%0.345CS..Hα-helixtrans-60.3-45.5-178.8179.268.9000113.6A633 L636 A637 L640 S663 A668 L669 S670A633-L666 HydrophobicContact CB-CD1 3.96Å; A633-L666 WeakPolarHBondContact O-CD1 3.41Å; L636-L666 HydrophobicContact CB-CD1 4.22Å; A637-L666 HydrophobicContact CB-CD1 4.36Å; A637-L666 HydrophobicContact CB-CD2 4.34Å; L640-L666 HydrophobicContact CD1-CB 4.46Å; L640-L666 HydrophobicContact CD1-CD2 3.95Å; S663-L666 PolarHBondContact O-N 3.25Å; L666-A668 PolarHBondContact O-N 2.82Å; L666-L669 PolarHBondContact O-N 3.22Å; L666-S670 WeakPolarHBondContact O-CB 3.37Å; L666-S670 PolarHBondContact O-N 2.81Å
667P85.3Confident81.6Confident78 Ų7855.1 Ų55.151%0.50633%0.332SS..Hα-helixtrans-56.3-45.4173.8-27.634.6000113.2S663 L669 S670 A671S663-P667 WeakPolarHBondContact O-CD 3.45Å; P667-L669 VanDerWaalsContact C-N 3.31Å; P667-L669 PolarHBondContact O-N 3.08Å; P667-S670 WeakPolarHBondContact CA-OG 3.39Å; P667-S670 PolarHBondContact O-N 2.8Å; P667-S670 PolarHBondContact O-OG 3.17Å; P667-A671 PolarHBondContact O-N 3.14Å
668A82.9Confident81.5Confident41 Ų4156 Ų5634%0.33934%0.339SS..Hα-helixtrans-62-37.8-177.600000112.3V665 L666 I672V665-A668 PolarHBondContact O-N 2.9Å; L666-A668 PolarHBondContact O-N 2.82Å; A668-I672 WeakPolarHBondContact O-CD1 3.49Å; A668-I672 WeakPolarHBondContact O-CG1 3.21Å
669L81.5Confident81.4Confident1 Ų163.3 Ų63.31%0.00537%0.374CS..Hα-helixtrans-71.4-44173.7-65.9161.1000111.9L632 A633 L636 V665 L666 P667 A671 I672 P677 V685L632-L669 HydrophobicContact CD2-CD1 3.53Å; L632-L669 HydrophobicContact CD2-CD2 4.27Å; A633-L669 HydrophobicContact CB-CB 3.95Å; L636-L669 HydrophobicContact CD1-CD1 3.45Å; L636-L669 VanDerWaalsContact CD1-CD1 3.45Å; V665-L669 HydrophobicContact CG1-CD1 4.07Å; V665-L669 HydrophobicContact CG1-CG 4.34Å; V665-L669 PolarHBondContact O-N 3.33Å; L666-L669 PolarHBondContact O-N 3.22Å; P667-L669 VanDerWaalsContact C-N 3.31Å; P667-L669 PolarHBondContact O-N 3.08Å; L669-A671 PolarHBondContact O-N 3.25Å; L669-I672 PolarHBondContact O-N 3.22Å; L669-I672 VanDerWaalsContact O-N 3.07Å; L669-P677 HydrophobicContact CD2-CB 4.28Å; L669-V685 HydrophobicContact CD1-CG2 3.81Å; L669-V685 HydrophobicContact CD2-CG2 4.08Å; L669-V685 HydrophobicContact CG-CG2 4.31Å
670S83.5Confident81.3Confident78 Ų7862 Ų6255%0.54538%0.384SS..Hα-helixtrans-61.3-29.3-179.174.10000113.3L666 P667 I672L666-S670 WeakPolarHBondContact O-CB 3.37Å; L666-S670 PolarHBondContact O-N 2.81Å; P667-S670 WeakPolarHBondContact CA-OG 3.39Å; P667-S670 PolarHBondContact O-N 2.8Å; P667-S670 PolarHBondContact O-OG 3.17Å; S670-I672 VanDerWaalsContact C-N 3.31Å; S670-I672 PolarHBondContact O-N 2.85Å
671A80.4Confident81.1Confident87 Ų8761.8 Ų61.872%0.71938%0.381SS*.THydrogen-bonded Turntrans-72.4-18.4177.500000114.1P667 L669P667-A671 PolarHBondContact O-N 3.14Å; L669-A671 PolarHBondContact O-N 3.25Å
672I77.7Confident81.2Confident51 Ų5159.5 Ų59.526%0.26238%0.375SS..THydrogen-bonded Turntrans-86.1-17.8-178.6-61.6167.1000111.4S629 A668 L669 S670 N674 A675 L681S629-I672 VanDerWaalsContact OG-CG2 3.29Å; S629-I672 WeakPolarHBondContact OG-CG2 3.47Å; A668-I672 WeakPolarHBondContact O-CD1 3.49Å; A668-I672 WeakPolarHBondContact O-CG1 3.21Å; L669-I672 PolarHBondContact O-N 3.22Å; L669-I672 VanDerWaalsContact O-N 3.07Å; S670-I672 VanDerWaalsContact C-N 3.31Å; S670-I672 PolarHBondContact O-N 2.85Å; I672-N674 PolarHBondContact O-N 3.36Å; I672-A675 HydrophobicContact CG2-CB 3.77Å; I672-A675 PolarHBondContact O-N 3.27Å; I672-L681 HydrophobicContact CD1-CD1 3.55Å
673G72.7Confident81.1Confident31 Ų3161.9 Ų61.932%0.3239%0.392SS..THydrogen-bonded Turntrans65.5-121.3176.700000111.9S629 R630S629-G673 PolarHBondContact OG-O 2.87Å; R630-G673 VanDerWaalsContact CB-O 3.32Å; R630-G673 WeakPolarHBondContact CB-O 3.4Å; R630-G673 PolarHBondContact N-O 2.95Å
674N71.3Confident81.1Confident116 Ų11664.1 Ų64.162%0.6240%0.401SS*.THydrogen-bonded Turntrans-93-3.7-177.2-7014.2000113.7R630 I672R630-N674 WeakPolarHBondContact CD-OD1 3.39Å; R630-N674 PolarHBondContact NH1-OD1 2.79Å; I672-N674 PolarHBondContact O-N 3.36Å
675A71.3Confident81Confident47 Ų4759.1 Ų59.139%0.38838%0.375SS..SBendtrans-73.2155.2-177.800000111.9S629 I672S629-A675 WeakPolarHBondContact CB-O 3.12Å; S629-A675 PolarHBondContact OG-O 3.33Å; I672-A675 HydrophobicContact CG2-CB 3.77Å; I672-A675 PolarHBondContact O-N 3.27Å
676P71.3Confident81.1Confident113 Ų11362.9 Ų62.973%0.73439%0.391SS*.PPolyproline II helixtrans-60.7136.5172.525.9-34.1000110.1
677P76.6Confident81.1Confident12 Ų1267 Ų678%0.07840%0.404CS..PPolyproline II helixtrans-64.9137.2176.326.9-32.7000110.4L669 L682L669-P677 HydrophobicContact CD2-CB 4.28Å; P677-L682 HydrophobicContact CB-CD2 4.19Å; P677-L682 HydrophobicContact CB-CG 4.03Å; P677-L682 HydrophobicContact CG-CD1 4.1Å; P677-L682 HydrophobicContact CG-CD2 3.5Å; P677-L682 VanDerWaalsContact CG-CD2 3.5Å; P677-L682 HydrophobicContact CG-CG 3.65Å
678N79.9Confident81.3Confident114 Ų11463.7 Ų63.761%0.6138%0.382SS*.PPolyproline II helixtrans-58.9143.7176.2-172.5-3.7000110.5G680 L681 L682N678-G680 PolarHBondContact O-N 3.27Å; N678-L681 HydrophobicContact CB-CD1 4.42Å; N678-L681 CarbonylContact O-C 3.57Å; N678-L681 WeakPolarHBondContact O-CA 3.35Å; N678-L681 WeakPolarHBondContact O-CB 3.47Å; N678-L681 PolarHBondContact O-N 3.32Å; N678-L682 PolarHBondContact O-N 3.05Å
679E80.9Confident81.5Confident154 Ų15461.8 Ų61.872%0.7237%0.367SS*.Hα-helixtrans-54.1-38.1-175.9-173.4176-167.100113L681 L682 S683E679-L681 VanDerWaalsContact C-N 3.31Å; E679-L681 PolarHBondContact O-N 3.26Å; E679-L682 PolarHBondContact O-N 3.31Å; E679-S683 WeakPolarHBondContact O-CB 3.48Å; E679-S683 PolarHBondContact O-N 3.31Å; E679-S683 PolarHBondContact O-OG 3.16Å
680G83.7Confident81.9Confident50 Ų5065.4 Ų65.452%0.51538%0.384SS..Hα-helixtrans-65.9-29.3173.800000114.2N678 L684N678-G680 PolarHBondContact O-N 3.27Å; G680-L684 PolarHBondContact O-N 3.03Å
681L83.6Confident82.1Confident47 Ų4764.8 Ų64.825%0.24637%0.372CS..Hα-helixtrans-83.5-36.2175.2-67.6175.2000111.9I672 N678 E679 S683 L684 V685I672-L681 HydrophobicContact CD1-CD1 3.55Å; N678-L681 HydrophobicContact CB-CD1 4.42Å; N678-L681 CarbonylContact O-C 3.57Å; N678-L681 WeakPolarHBondContact O-CA 3.35Å; N678-L681 WeakPolarHBondContact O-CB 3.47Å; N678-L681 PolarHBondContact O-N 3.32Å; E679-L681 VanDerWaalsContact C-N 3.31Å; E679-L681 PolarHBondContact O-N 3.26Å; L681-S683 VanDerWaalsContact C-N 3.3Å; L681-S683 PolarHBondContact O-N 3.24Å; L681-L684 HydrophobicContact CD2-CD2 4.33Å; L681-L684 PolarHBondContact O-N 3.5Å; L681-V685 WeakPolarHBondContact O-CG2 3.36Å; L681-V685 PolarHBondContact O-N 3.09Å
682L84.7Confident82.4Confident42 Ų4260.6 Ų60.622%0.2234%0.338CS..Hα-helixtrans-57.1-46.1166.6-79.7175000111A624 L632 P677 N678 E679 L684 V685 Q686A624-L682 VanDerWaalsContact O-CD2 3.27Å; A624-L682 WeakPolarHBondContact O-CD2 3.3Å; L632-L682 HydrophobicContact CD1-CD2 4.01Å; P677-L682 HydrophobicContact CB-CD2 4.19Å; P677-L682 HydrophobicContact CB-CG 4.03Å; P677-L682 HydrophobicContact CG-CD1 4.1Å; P677-L682 HydrophobicContact CG-CD2 3.5Å; P677-L682 VanDerWaalsContact CG-CD2 3.5Å; P677-L682 HydrophobicContact CG-CG 3.65Å; N678-L682 PolarHBondContact O-N 3.05Å; E679-L682 PolarHBondContact O-N 3.31Å; L682-L684 VanDerWaalsContact C-N 3.26Å; L682-L684 PolarHBondContact O-N 3.16Å; L682-V685 PolarHBondContact O-N 3.27Å; L682-Q686 WeakPolarHBondContact O-CB 3.48Å; L682-Q686 PolarHBondContact O-N 3.13Å
683S84.9Confident82.8Confident51 Ų5158.3 Ų58.336%0.35733%0.326SS..Hα-helixtrans-61-33.5176.1-60.70000113E679 L681 R687E679-S683 WeakPolarHBondContact O-CB 3.48Å; E679-S683 PolarHBondContact O-N 3.31Å; E679-S683 PolarHBondContact O-OG 3.16Å; L681-S683 VanDerWaalsContact C-N 3.3Å; L681-S683 PolarHBondContact O-N 3.24Å; S683-R687 WeakPolarHBondContact O-CB 3.4Å; S683-R687 PolarHBondContact O-N 2.95Å
684L86.6Confident83.4Confident75 Ų7562.2 Ų62.239%0.39334%0.339SS..Hα-helixtrans-74.3-42.7176.7-17465.5000112V665 G680 L681 L682 S688V665-L684 HydrophobicContact CG2-CD2 4.12Å; V665-L684 HydrophobicContact CG2-CG 4.1Å; G680-L684 PolarHBondContact O-N 3.03Å; L681-L684 HydrophobicContact CD2-CD2 4.33Å; L681-L684 PolarHBondContact O-N 3.5Å; L682-L684 VanDerWaalsContact C-N 3.26Å; L682-L684 PolarHBondContact O-N 3.16Å; L684-S688 WeakPolarHBondContact O-CB 3.49Å; L684-S688 PolarHBondContact O-N 2.97Å; L684-S688 PolarHBondContact O-OG 3.48Å
685V87.6Confident84Confident0 Ų058.6 Ų58.60%032%0.32CS..Hα-helixtrans-60.1-49.7173.1164.20000111.3L632 V665 L669 L681 L682 R687 S688 L689L632-V685 HydrophobicContact CD1-CG1 4.14Å; L632-V685 HydrophobicContact CD2-CB 4.49Å; L632-V685 HydrophobicContact CD2-CG1 3.63Å; L632-V685 HydrophobicContact CD2-CG2 4.02Å; L632-V685 HydrophobicContact CG-CG1 4.43Å; V665-V685 HydrophobicContact CG1-CG2 3.51Å; L669-V685 HydrophobicContact CD1-CG2 3.81Å; L669-V685 HydrophobicContact CD2-CG2 4.08Å; L669-V685 HydrophobicContact CG-CG2 4.31Å; L681-V685 WeakPolarHBondContact O-CG2 3.36Å; L681-V685 PolarHBondContact O-N 3.09Å; L682-V685 PolarHBondContact O-N 3.27Å; V685-R687 PolarHBondContact O-N 3.5Å; V685-S688 PolarHBondContact O-N 3.4Å; V685-S688 PolarHBondContact O-OG 3.03Å; V685-S688 VanDerWaalsContact O-OG 3.1Å; V685-L689 HydrophobicContact CG1-CD1 3.81Å; V685-L689 WeakPolarHBondContact O-CB 3.19Å; V685-L689 WeakPolarHBondContact O-CG 3.17Å; V685-L689 PolarHBondContact O-N 2.8Å
686Q88.3Confident84.4Confident88 Ų8856.7 Ų56.741%0.41130%0.303SS..Hα-helixtrans-59.9-48.9-178.7174.5165.6-6.200110.2L621 L682 S688 L689 E690L621-Q686 HydrophobicContact CD1-CG 3.76Å; L682-Q686 WeakPolarHBondContact O-CB 3.48Å; L682-Q686 PolarHBondContact O-N 3.13Å; Q686-S688 PolarHBondContact O-N 2.91Å; Q686-L689 PolarHBondContact O-N 3.13Å; Q686-E690 HydrophobicContact CG-CG 4.42Å; Q686-E690 WeakPolarHBondContact CG-OE1 3.46Å; Q686-E690 PolarHBondContact NE2-OE1 3.27Å; Q686-E690 WeakPolarHBondContact O-CB 3.39Å; Q686-E690 VanDerWaalsContact O-CG 3.31Å; Q686-E690 WeakPolarHBondContact O-CG 3.38Å; Q686-E690 PolarHBondContact O-N 3.07Å
687R88.6Confident84.8Confident131 Ų13156 Ų5649%0.49429%0.29SS..Hα-helixtrans-60.9-41.6177.2-170.3-180-59115.97.3112.7S683 V685 E690 E691S683-R687 WeakPolarHBondContact O-CB 3.4Å; S683-R687 PolarHBondContact O-N 2.95Å; V685-R687 PolarHBondContact O-N 3.5Å; R687-E690 PolarHBondContact O-N 2.84Å; R687-E691 HydrophobicContact CG-CG 4.47Å; R687-E691 WeakPolarHBondContact O-CB 3.48Å; R687-E691 WeakPolarHBondContact O-CG 3.47Å; R687-E691 PolarHBondContact O-N 2.88Å
688S88.8Confident84.4Confident8 Ų858.9 Ų58.96%0.05632%0.315CS..Hα-helixtrans-71.4-31.4179.7700000112.9L684 V685 Q686 S692L684-S688 WeakPolarHBondContact O-CB 3.49Å; L684-S688 PolarHBondContact O-N 2.97Å; L684-S688 PolarHBondContact O-OG 3.48Å; V685-S688 PolarHBondContact O-N 3.4Å; V685-S688 PolarHBondContact O-OG 3.03Å; V685-S688 VanDerWaalsContact O-OG 3.1Å; Q686-S688 PolarHBondContact O-N 2.91Å; S688-S692 WeakPolarHBondContact O-CB 3.29Å; S688-S692 PolarHBondContact O-N 3.46Å; S688-S692 PolarHBondContact O-OG 3.18Å
689L88.8Confident83.7Confident1 Ų156.6 Ų56.61%0.00530%0.301CS..Hα-helixtrans-68.2-44.4169.6-74.6168.4000112V617 L620 L636 L662 V685 Q686 S692 A693V617-L689 HydrophobicContact CB-CD2 4.48Å; V617-L689 HydrophobicContact CG1-CB 4.31Å; V617-L689 HydrophobicContact CG1-CD2 3.99Å; V617-L689 WeakPolarHBondContact CG1-O 3.47Å; V617-L689 HydrophobicContact CG2-CD2 4.35Å; L620-L689 HydrophobicContact CB-CD1 4.22Å; L636-L689 HydrophobicContact CD2-CD2 3.89Å; L636-L689 HydrophobicContact CD2-CG 4.44Å; L662-L689 HydrophobicContact CD2-CD2 3.88Å; L662-L689 HydrophobicContact CD2-CG 4.2Å; V685-L689 HydrophobicContact CG1-CD1 3.81Å; V685-L689 WeakPolarHBondContact O-CB 3.19Å; V685-L689 WeakPolarHBondContact O-CG 3.17Å; V685-L689 PolarHBondContact O-N 2.8Å; Q686-L689 PolarHBondContact O-N 3.13Å; L689-S692 PolarHBondContact O-N 3.37Å; L689-A693 WeakPolarHBondContact O-CB 3.1Å; L689-A693 PolarHBondContact O-N 3.21Å
690E89.7Confident82.2Confident78 Ų7852.5 Ų52.536%0.36430%0.3SS..Hα-helixtrans-63-49.5177.2-73.9169.2-178.300111.9L621 Q686 R687 S692 A693 L694L621-E690 HydrophobicContact CD1-CG 3.76Å; L621-E690 HydrophobicContact CD2-CG 3.9Å; Q686-E690 HydrophobicContact CG-CG 4.42Å; Q686-E690 WeakPolarHBondContact CG-OE1 3.46Å; Q686-E690 PolarHBondContact NE2-OE1 3.27Å; Q686-E690 WeakPolarHBondContact O-CB 3.39Å; Q686-E690 VanDerWaalsContact O-CG 3.31Å; Q686-E690 WeakPolarHBondContact O-CG 3.38Å; Q686-E690 PolarHBondContact O-N 3.07Å; R687-E690 PolarHBondContact O-N 2.84Å; E690-S692 VanDerWaalsContact C-N 3.3Å; E690-S692 PolarHBondContact O-N 3.39Å; E690-A693 PolarHBondContact O-N 3.15Å; E690-L694 WeakPolarHBondContact O-CG 3.22Å; E690-L694 PolarHBondContact O-N 3.25Å
691E86.5Confident80Confident64 Ų6460.9 Ų60.930%0.29932%0.316SS..Hα-helixtrans-57.6-42.6173.8-75.3178.7-159.400111.5R661 R687 L694 L695R661-E691 IonicContact CZ-OE2 3.85Å; R661-E691 IonicContact NE-OE2 2.66Å; R661-E691 IonicContact NH1-OE2 2.89Å; R661-E691 PolarHBondContact NH1-OE2 3.36Å; R661-E691 IonicContact NH2-OE2 3.24Å; R687-E691 HydrophobicContact CG-CG 4.47Å; R687-E691 WeakPolarHBondContact O-CB 3.48Å; R687-E691 WeakPolarHBondContact O-CG 3.47Å; R687-E691 PolarHBondContact O-N 2.88Å; E691-L694 PolarHBondContact O-N 3.46Å; E691-L695 WeakPolarHBondContact O-CB 3.47Å; E691-L695 VanDerWaalsContact O-CG 3.3Å; E691-L695 WeakPolarHBondContact O-CG 3.29Å; E691-L695 PolarHBondContact O-N 2.99Å
692S86.8Confident77.9Confident0 Ų062 Ų620%033%0.325CS..Hα-helixtrans-68.1-37.3178.7-62.80000112.8L662 S688 L689 E690 L695 L696L662-S692 WeakPolarHBondContact CG-OG 3.11Å; S688-S692 WeakPolarHBondContact O-CB 3.29Å; S688-S692 PolarHBondContact O-N 3.46Å; S688-S692 PolarHBondContact O-OG 3.18Å; L689-S692 PolarHBondContact O-N 3.37Å; E690-S692 VanDerWaalsContact C-N 3.3Å; E690-S692 PolarHBondContact O-N 3.39Å; S692-L695 PolarHBondContact O-N 3.17Å; S692-L696 WeakPolarHBondContact O-CB 3.44Å; S692-L696 WeakPolarHBondContact O-CG 3.42Å; S692-L696 PolarHBondContact O-N 3.46Å
693A86.8Confident75.6Confident3 Ų371.4 Ų71.43%0.02536%0.358CS..Hα-helixtrans-63.3-43.8174.100000111.4L614 V617 H618 L689 E690 L696 Q697L614-A693 HydrophobicContact CD2-CB 4.49Å; V617-A693 HydrophobicContact CG1-CB 3.91Å; H618-A693 WeakPolarHBondContact NE2-CB 3.41Å; L689-A693 WeakPolarHBondContact O-CB 3.1Å; L689-A693 PolarHBondContact O-N 3.21Å; E690-A693 PolarHBondContact O-N 3.15Å; A693-L696 PolarHBondContact O-N 3.02Å; A693-Q697 WeakPolarHBondContact O-CB 3.48Å; A693-Q697 VanDerWaalsContact O-CG 3.24Å; A693-Q697 WeakPolarHBondContact O-CG 3.44Å; A693-Q697 PolarHBondContact O-N 3.48Å
694L86.1Confident73.2Confident113 Ų11376.9 Ų76.959%0.59238%0.382SS*.Hα-helixtrans-63.7-44.1176.1-69.1170000111.7E690 E691 L696 Q697 A698E690-L694 WeakPolarHBondContact O-CG 3.22Å; E690-L694 PolarHBondContact O-N 3.25Å; E691-L694 PolarHBondContact O-N 3.46Å; L694-L696 PolarHBondContact O-N 3.34Å; L694-Q697 PolarHBondContact O-N 3.44Å; L694-A698 WeakPolarHBondContact O-CB 3.34Å; L694-A698 PolarHBondContact O-N 3.09Å
695L82.3Confident70.6Confident39 Ų3977.6 Ų77.620%0.20439%0.394CS..Hα-helixtrans-62.9-38.7176.9-73.3169.2000112.7P654 A658 E691 S692 Q699P654-L695 HydrophobicContact CB-CD2 4.02Å; A658-L695 HydrophobicContact CB-CB 4.38Å; A658-L695 HydrophobicContact CB-CD1 3.98Å; E691-L695 WeakPolarHBondContact O-CB 3.47Å; E691-L695 VanDerWaalsContact O-CG 3.3Å; E691-L695 WeakPolarHBondContact O-CG 3.29Å; E691-L695 PolarHBondContact O-N 2.99Å; S692-L695 PolarHBondContact O-N 3.17Å; L695-Q699 WeakPolarHBondContact O-CG 3.48Å; L695-Q699 PolarHBondContact O-NE2 3.31Å
696L79.5Confident68.2Low8 Ų883.3 Ų83.34%0.04243%0.434CS..Hα-helixtrans-67.2-44.5173.6-80.7164.9000112.2W609 L614 W643 L655 S692 A693 L694 A698 Q699W609-L696 HydrophobicContact CZ3-CD2 4.28Å; L614-L696 HydrophobicContact CD1-CB 4.41Å; L614-L696 HydrophobicContact CD2-CB 3.6Å; L614-L696 HydrophobicContact CD2-CD1 4.02Å; L614-L696 HydrophobicContact CD2-CG 4.46Å; L614-L696 HydrophobicContact CG-CB 3.99Å; L614-L696 HydrophobicContact CG-CD1 4.25Å; W643-L696 HydrophobicContact CH2-CD1 4.19Å; W643-L696 HydrophobicContact CH2-CD2 3.9Å; W643-L696 HydrophobicContact CH2-CG 4.02Å; W643-L696 HydrophobicContact CZ3-CD1 3.93Å; W643-L696 HydrophobicContact CZ3-CD2 4.25Å; W643-L696 HydrophobicContact CZ3-CG 4.28Å; L655-L696 HydrophobicContact CD2-CD2 3.65Å; L655-L696 HydrophobicContact CD2-CG 4.29Å; S692-L696 WeakPolarHBondContact O-CB 3.44Å; S692-L696 WeakPolarHBondContact O-CG 3.42Å; S692-L696 PolarHBondContact O-N 3.46Å; A693-L696 PolarHBondContact O-N 3.02Å; L694-L696 PolarHBondContact O-N 3.34Å; L696-A698 VanDerWaalsContact C-N 3.34Å; L696-A698 PolarHBondContact O-N 3.27Å; L696-Q699 PolarHBondContact O-N 3.27Å
697Q79.6Confident65.9Low97 Ų9787.1 Ų87.145%0.45345%0.452SS..Hα-helixtrans-66.8-33.6178.5-72.9173.834.200112.6L614 H618 A693 L694 Q699L614-Q697 HydrophobicContact CD1-CG 4.25Å; L614-Q697 HydrophobicContact CD2-CG 3.92Å; H618-Q697 PolarHBondContact CE1-NE2 2.96Å; H618-Q697 PolarHBondContact NE2-NE2 2.89Å; A693-Q697 WeakPolarHBondContact O-CB 3.48Å; A693-Q697 VanDerWaalsContact O-CG 3.24Å; A693-Q697 WeakPolarHBondContact O-CG 3.44Å; A693-Q697 PolarHBondContact O-N 3.48Å; L694-Q697 PolarHBondContact O-N 3.44Å; Q697-Q699 PolarHBondContact O-N 3.12Å
698A69.8Low63.6Low73 Ų7388.5 Ų88.560%0.60346%0.463SS*.THydrogen-bonded Turntrans-65.9-16.1176.800000113.9L694 L696 G700L694-A698 WeakPolarHBondContact O-CB 3.34Å; L694-A698 PolarHBondContact O-N 3.09Å; L696-A698 VanDerWaalsContact C-N 3.34Å; L696-A698 PolarHBondContact O-N 3.27Å; A698-G700 PolarHBondContact O-N 2.79Å
699Q64.4Low61Low67 Ų6791.7 Ų91.731%0.31349%0.486SS..SBendtrans-77.368.8176.3-58.8-45-62.600112L655 L695 L696 Q697 R701L655-Q699 HydrophobicContact CD2-CG 4.19Å; L655-Q699 HydrophobicContact CG-CG 4.38Å; L695-Q699 WeakPolarHBondContact O-CG 3.48Å; L695-Q699 PolarHBondContact O-NE2 3.31Å; L696-Q699 PolarHBondContact O-N 3.27Å; Q697-Q699 PolarHBondContact O-N 3.12Å; Q699-R701 PolarHBondContact O-N 3.33Å; Q699-R701 VanDerWaalsContact O-N 3.13Å
700G48.9Very low58.9Low68 Ų6898.1 Ų98.170%0.70152%0.519SS*.  trans-56.9113.1-176.700000114.2A698A698-G700 PolarHBondContact O-N 2.79Å
701R38.8Very low56.8Low226 Ų22699.2 Ų99.285%0.85354%0.536SS*.  trans31.8100157.6-166.2-175.1-146.3-127.66115.7Q699 R703Q699-R701 PolarHBondContact O-N 3.33Å; Q699-R701 VanDerWaalsContact O-N 3.13Å; R701-R703 PolarHBondContact O-N 2.95Å
702P38.4Very low54.9Low69 Ų69106.9 Ų106.945%0.44856%0.562SS.*PPolyproline II helixtrans-56.7117.3174.625.3-35000110.5V607 L704V607-P702 HydrophobicContact CG2-CG 4.1Å; P702-L704 PolarHBondContact O-N 3.35Å
703R36.8Very low52.9Low241 Ų241116.9 Ų116.991%0.90960%0.6SS**PPolyproline II helixtrans-70.8122.5166.7-79.5-162.4179.6-160.23.7107.8R701 S705R701-R703 PolarHBondContact O-N 2.95Å; R703-S705 PolarHBondContact O-N 3.33Å
704L34Very low50.7Low165 Ų165122.6 Ų122.686%0.86464%0.637SS**PPolyproline II helixtrans-50.1137.3174-63.7171.2000110.6P702 S706P702-L704 PolarHBondContact O-N 3.35Å; L704-S706 PolarHBondContact O-N 3.26Å
705S32.6Very low48.6Very low90 Ų90124.9 Ų124.963%0.62965%0.649SS**PPolyproline II helixtrans-53.9132.7164.91780000109R703 Q707R703-S705 PolarHBondContact O-N 3.33Å; S705-Q707 PolarHBondContact O-N 3.41Å
706S36.9Very low46.4Very low120 Ų120128.8 Ų128.884%0.83968%0.677SS**THydrogen-bonded Turntrans-71.613.2-171.446.30000114.7L704L704-S706 PolarHBondContact O-N 3.26Å
707Q40Very low44.5Very low169 Ų169133.2 Ų133.279%0.7971%0.714SS**THydrogen-bonded Turntrans-102.1-29.4-173.8-159.6163.6-8.900113.7S705 S709S705-Q707 PolarHBondContact O-N 3.41Å; Q707-S709 VanDerWaalsContact C-N 3.25Å; Q707-S709 PolarHBondContact O-N 3.39Å
708E40.5Very low42.5Very low159 Ų159136.1 Ų136.174%0.74373%0.732SS**  trans-9032.1-176.9-150.257.7-136.900113.6L710E708-L710 PolarHBondContact O-N 3.06Å
709S33.9Very low41Very low75 Ų75138.6 Ų138.652%0.52474%0.742SS.*  trans-86.3102.3172.2-72.60000110.5Q707 S711Q707-S709 VanDerWaalsContact C-N 3.25Å; Q707-S709 PolarHBondContact O-N 3.39Å; S709-S711 PolarHBondContact O-N 3.12Å
710L45.8Very low39.9Very low136 Ų136141.8 Ų141.871%0.71277%0.766SS**THydrogen-bonded Turntrans-65.718.7179.1-69.8172.3000115.3E708E708-L710 PolarHBondContact O-N 3.06Å
711S44.7Very low39.6Very low102 Ų102144.2 Ų144.271%0.71377%0.769SS**THydrogen-bonded Turntrans-90.41.2173.5570000114.2S709S709-S711 PolarHBondContact O-N 3.12Å
712R47.5Very low39.6Very low224 Ų224141.4 Ų141.485%0.84577%0.771SS**  trans-121.248.7-179.5-66.6-170.9-179.6-89.72114.5
713R43.1Very low39.5Very low210 Ų210141.8 Ų141.879%0.79279%0.787SS**PPolyproline II helixtrans-92.3119.2155.3-71-172.8179.1-172.90.7108.8
714P40.5Very low39.5Very low123 Ų123139.9 Ų139.980%0.79979%0.786SS**PPolyproline II helixtrans-66139.517228.5-33.2000109.7
715L41.8Very low39.4Very low162 Ų162137.3 Ų137.385%0.84878%0.782SS**PPolyproline II helixtrans-69.6141.5172.5-67.9171.8000109.7A717L715-A717 PolarHBondContact O-N 2.92Å
716P37Very low39.4Very low121 Ų121139.1 Ų139.179%0.78679%0.793SS**PPolyproline II helixtrans-65.9130.2174.727.9-33.7000110.1
717A38.8Very low39.1Very low100 Ų100137.5 Ų137.583%0.82680%0.795SS**PPolyproline II helixtrans-70.5139.8178.500000111.5L715L715-A717 PolarHBondContact O-N 2.92Å
718L38.3Very low38.8Very low158 Ų158133.6 Ų133.683%0.82780%0.8SS**PPolyproline II helixtrans-94.7150.1163.7-71.8174.5000109.3
719P38.2Very low38.3Very low125 Ų125129.9 Ų129.981%0.81280%0.804SS**PPolyproline II helixtrans-74.5142.6-163.828.8-35.8000113.6
720V40.5Very low38.3Very low135 Ų135135.6 Ų135.682%0.81883%0.825SS**  trans-121.1133.1165.2179.50000106.5
721P42.8Very low37.6Very low119 Ų119132.6 Ų132.677%0.77383%0.827SS**  trans-71.1159.1-173.528.6-35.9000113.6
722D39.9Very low37.3Very low166 Ų166133 Ų13389%0.88883%0.83SS**  trans-56134.9-172.7-67.2-96.8000115.8
723G36.9Very low37Very low77 Ų77133.9 Ų133.979%0.79483%0.833SS**  trans-148.3120.7167.800000111
724K35.5Very low36.8Very low202 Ų202134.1 Ų134.188%0.87884%0.84SS**  trans-98.7133-174.9-64.7173.9-179.3172.20112
725S32.5Very low36.4Very low111 Ų111132 Ų13278%0.77684%0.84SS**  145.8141.4118.264.60000116.8
726C33.1Very low36.2Very low128 Ų128129.6 Ų129.687%0.86584%0.837SS**  trans35.688.4139.1-56.70000121.5
727G29.9Very low35.9Very low86 Ų86134 Ų13489%0.88784%0.838SS**  55.3121.799.100000122.4
728G32.9Very low36Very low87 Ų87134.5 Ų134.590%0.89783%0.826SS**  trans114.3157.3145.300000117.3
729G31.6Very low35.9Very low80 Ų80134 Ų13483%0.82582%0.819SS**  trans122.6116.3166.200000115.7
730M33.9Very low35.9Very low196 Ų196134.5 Ų134.597%0.96681%0.811SS**  trans-70.3144.2178.5-55.292.475.300113.2
731G29.6Very low36.3Very low72 Ų72139.4 Ų139.474%0.74281%0.814SS**  trans-105.6119.417000000112.8
732S39.4Very low36.2Very low111 Ų111139.3 Ų139.378%0.77681%0.814SS**  trans-169.7107.8163-88.30000113
733R40.9Very low36.6Very low242 Ų242139.2 Ų139.291%0.91381%0.813SS**  trans156.5108.1133.5-84.3169.5-145-76.50.9112.4
734K39.9Very low37.2Very low215 Ų215141 Ų14194%0.93581%0.81SS**  trans25.1107.2143.2-163.8177.7-174.7-1790118.5
735G31.3Very low37.8Very low78 Ų78137.3 Ų137.380%0.80481%0.807SS**  trans-129.7163156.800000109.7
736S37.1Very low38.2Very low112 Ų112137.4 Ų137.478%0.78380%0.803SS**  trans-133.7167.4-170.2-165.10000113
737W32Very low38.4Very low213 Ų213137.3 Ų137.381%0.80780%0.8SS**  trans86.9103151.7-137.2-120.9000119.4
738I39.9Very low39Very low112 Ų112140.8 Ų140.857%0.57479%0.794SS**  100.7136.2122.5-113.5-165.9000122.4
739Q35.8Very low39.3Very low148 Ų148142.4 Ų142.469%0.69279%0.788SS**  trans69.2154.3152.6-76.3-176.9-104.800124.5
740E39.4Very low39.2Very low135 Ų135146.1 Ų146.163%0.63179%0.786SS**  trans72.881.5166.5-53-41.8117.400120.4
741R47.5Very low39.3Very low237 Ų237146.2 Ų146.289%0.89478%0.782SS**  -166.2153.6102.2-97.2154.6-165.3-179.45.7113.2
742P42.2Very low39.7Very low118 Ų118148.6 Ų148.677%0.76678%0.784SS**PPolyproline II helixtrans-86.2158.5-169.5-9.128.4000114.5
743L47.4Very low39.4Very low164 Ų164151.3 Ų151.386%0.85979%0.789SS**PPolyproline II helixtrans-77.2152163-69.5168.9000110.8
744P48.6Very low38.9Very low114 Ų114146.4 Ų146.474%0.7479%0.786SS**PPolyproline II helixtrans-68.6146.7175.129.3-35000111.8
745P49.9Very low38.9Very low125 Ų125142.2 Ų142.281%0.81278%0.78SS**PPolyproline II helixtrans-75.7154-177.831.3-35.9000113
746T40.4Very low39Very low113 Ų113143.5 Ų143.569%0.69378%0.777SS**PPolyproline II helixtrans-80.1150169.744.70000111.8
747P36Very low39.1Very low125 Ų125144 Ų14481%0.81278%0.778SS**PPolyproline II helixtrans-70.4145171.730.5-34.4000111.1
748Q44Very low39Very low160 Ų160138.5 Ų138.575%0.74878%0.778SS**  trans-115.8154.5174.7-73.2-68.4-10.500110
749P39.2Very low38.3Very low121 Ų121139.2 Ų139.279%0.78679%0.791SS**  trans-71.6156.6-17831.4-35000111.6
750M28.1Very low38.1Very low158 Ų158138 Ų13878%0.77879%0.794SS**  trans-129.7111.2-177.6-178.3-176.4-61.700110.1
751F37.8Very low37.6Very low198 Ų198138 Ų13887%0.86880%0.803SS**  trans-175.5135.6130.6-86.4-55.9000109.8
752P38.1Very low36.8Very low122 Ų122133.9 Ų133.979%0.79280%0.798SS**  trans-92.4160.9-178.936-34.7000113.9
753L32.2Very low36.2Very low168 Ų168133.4 Ų133.488%0.8879%0.793SS**  trans-118.8134.9177.6-79.4168.1000112.2
754T29.8Very low35.2Very low138 Ų138134.3 Ų134.385%0.84780%0.795SS**  trans-177.1157160.341.70000109.6
755P41.1Very low34.3Very low127 Ų127132 Ų13283%0.82579%0.792SS**  cis-131.8-166.7-34.538.7-20.6000112.4
756S32.2Very low34.3Very low106 Ų106132.4 Ų132.474%0.74180%0.795SS**  trans-89.8163.4-173.91580000115.3
757P39.3Very low33.7Very low123 Ų123133.8 Ų133.880%0.79980%0.803SS**  -127.2178.6127.738.4-31.8000114.7
758A30Very low33.3Very low96 Ų96135.5 Ų135.579%0.79381%0.805SS**  trans-87.4-178.3-169.600000114.2
759C25.3Very low32.7Very low127 Ų127130.9 Ų130.986%0.85880%0.801SS**  -161.2-174.151.3-155.70000114.8
760V31.8Very low32.3Very low124 Ų124134.9 Ų134.975%0.75281%0.809SS**  trans-90.8143.4-161.6-172.70000114.7
761T28.5Very low32.4Very low134 Ų134136.3 Ų136.382%0.82281%0.814SS**  trans167.3164.8145.228.10000110.1
762L30.4Very low32Very low151 Ų151134.4 Ų134.479%0.79181%0.812SS**  cis-133.2-128.8-5.4-140.9176.5000111.2
763T29.6Very low32.5Very low107 Ų107133.2 Ų133.266%0.65681%0.805SS**  trans-163.7161.4-166.2-47.90000112.7
764M27.9Very low32.2Very low183 Ų183130.2 Ų130.290%0.90180%0.798SS**  trans73.6147.8-180-51.9-59.8171.600115.1
765G27.9Very low32.3Very low66 Ų66130 Ų13068%0.6879%0.792SS**  cis-176.3152.7-6.600000110
766P50.8Low32.1Very low134 Ų134131.2 Ų131.287%0.8779%0.786SS**  trans-95.1154-16336.3-36.2000115.5
767V28.1Very low32.1Very low142 Ų142137.3 Ų137.386%0.86179%0.794SS**  trans-151156.2156.982.80000110.9
768N28.1Very low31.9Very low160 Ų160135.3 Ų135.386%0.85679%0.788SS**  trans-88.6169.1-179.7-47.6-47000111.7
769G29.7Very low31.9Very low64 Ų64134.3 Ų134.366%0.6679%0.788SS**  trans145.299.7141.300000118.8
770E30.7Very low32.5Very low204 Ų204137 Ų13795%0.95379%0.791SS**  trans64.8163.5133.4-52.2-169.9131.700120.9
771E30.2Very low32.6Very low189 Ų189134 Ų13488%0.88379%0.786SS**  trans-104.2138.5-165.5-66.7170.586.300113.6
772D29.8Very low32.8Very low157 Ų157135.4 Ų135.484%0.8479%0.788SS**  trans57.7166.6151.2-104.80000120.3
773P49.1Very low33Very low98 Ų98133.8 Ų133.864%0.63678%0.784SS**  cis-130.6-179.2-24.836-19.9000113.8
774S26.5Very low33.2Very low104 Ų104134.6 Ų134.673%0.72779%0.791SS**  trans84.6137.3153.677.80000121.7
775N32.3Very low33.3Very low135 Ų135134 Ų13472%0.72279%0.79SS**  trans54.4160.6160.3-65.633.8000121.1
776E36.1Very low33.5Very low152 Ų152136.3 Ų136.371%0.7179%0.793SS**  cis-161.3160.1-49.668.4-173.5116.100109.2
777Y32.7Very low32.8Very low233 Ų233134.4 Ų134.491%0.91479%0.788SS**  trans65.7149.9176.7-122.9-124000115.3
778A33.7Very low33.5Very low81 Ų81133.6 Ų133.667%0.66979%0.786SS**  cis-133.8150.8-3.500000109.9
779G30.7Very low33.7Very low76 Ų76132.4 Ų132.478%0.78479%0.785SS**  trans-87.3167.4-163.800000117.7
780I38Very low34.2Very low182 Ų182134.8 Ų134.893%0.93379%0.788SS**  trans-122.4144.6148.2-46.7177.9000106
781G33.6Very low34.3Very low62 Ų62131 Ų13164%0.63978%0.784SS**  trans-87.3152.1-161.500000117.1
782L32.5Very low34.3Very low164 Ų164125.9 Ų125.986%0.85978%0.782SS**  trans62.1133.6143.7-44.5177.7000118.7
783T35.4Very low34.3Very low117 Ų117125.7 Ų125.772%0.71878%0.781SS**  cis-165.8130.5-8.413.50000108.3
784P33.4Very low33.6Very low123 Ų123125.6 Ų125.680%0.79978%0.783SS**PPolyproline II helixtrans-83.2163157.733.5-31.2000111.8
785I30.4Very low33.8Very low170 Ų170126.7 Ų126.787%0.87279%0.785SS**PPolyproline II helixtrans-60.1130.8-173.5-65.3154.1000112.6
786P32.3Very low33.7Very low116 Ų116124.1 Ų124.175%0.75379%0.79SS**PPolyproline II helixtrans-93.4150.7171.635.9-33.5000113.5
787A34.6Very low33.5Very low93 Ų93127.3 Ų127.377%0.76980%0.797SS**  trans-144.4158.4153.500000108.2
788P43Very low33.5Very low126 Ų126122.4 Ų122.482%0.81879%0.791SS**  cis-100.5-178.8-11.539.2-31.3000112
789V32.5Very low33.4Very low135 Ų135126.9 Ų126.982%0.81880%0.796SS**  trans-122.9134.7176.7-174.60000110.4
790P40.3Very low33.5Very low114 Ų114129.7 Ų129.774%0.7479%0.792SS**  trans-91-170-17738.2-38.4000114
791S33.4Very low33.1Very low124 Ų124129.6 Ų129.687%0.86779%0.788SS**  trans-47148.7176.1-40.60000115.4
792G30.2Very low32.8Very low81 Ų81130.5 Ų130.584%0.83580%0.797SS**  trans177.5126.3168.800000115.9
793D29.1Very low32.5Very low153 Ų153132.4 Ų132.482%0.81880%0.799SS**  trans-68.3164.5-171.9-122.2-58.1000118.8
794S34.1Very low33.1Very low96 Ų96131.8 Ų131.867%0.67180%0.796SS**  trans59.499.2140.3-69.30000123.2
795V32.6Very low32.6Very low128 Ų128132.8 Ų132.878%0.77680%0.795SS**  28.4107.9127.2-171.60000118.8Y797V795-Y797 HydrophobicContact CG1-CD2 4.29Å
796G29.5Very low32.5Very low81 Ų81131.8 Ų131.884%0.83579%0.791SS**  trans-92.4126.8162.500000113.3
797Y31.5Very low32.5Very low219 Ų219133.8 Ų133.886%0.85979%0.794SS**  trans-95.2144.2175.2-113.7-89000112.4V795V795-Y797 HydrophobicContact CG1-CD2 4.29Å
798V32.3Very low33.2Very low130 Ų130134.8 Ų134.879%0.78879%0.793SS**  trans-133.299166.6-178.70000107
799K31.7Very low32.4Very low174 Ų174136 Ų13676%0.75779%0.793SS**  61.8106.491-155.6-173.2-175.5176.40110.6
800L33.1Very low32.1Very low136 Ų136134.6 Ų134.671%0.71278%0.784SS**  -168.3168.279.9-74.2158.8000106.9
801Q30.1Very low31.6Very low179 Ų179136.1 Ų136.184%0.83679%0.785SS**  cis-162.8162.27.8-137162.7-500108.5
802G26.9Very low31.3Very low82 Ų82135.2 Ų135.285%0.84578%0.779SS**  trans124.5120162.400000116.8
803K27Very low31.2Very low204 Ų204139 Ų13989%0.88778%0.775SS**  trans-131.4171.1173.7-121.5-168.7179.3-170.20106.7
804P46.7Very low31.1Very low103 Ų103138.4 Ų138.467%0.66977%0.772SS**  cis-119.8-153.5-19.243.6-25.9000108.7
805D22.7Very low30.8Very low145 Ų145137.1 Ų137.178%0.77577%0.773SS**  cis-155.9173.140.1-140-20.1000114.9
806L28.9Very low30.6Very low148 Ų148139.9 Ų139.978%0.77578%0.778SS**  trans-102171.9-173.5-60.8169000110.9
807L31.6Very low30.4Very low159 Ų159141.7 Ų141.783%0.83277%0.773SS**  cis-156.2176.943.5-87.6170.9000111.9
808P50.9Low30.2Very low114 Ų114140.4 Ų140.474%0.7477%0.772SS**  trans-115.2-158.2-167.843.8-33.4000114.5
809D25Very low29.8Very low152 Ų152141.2 Ų141.281%0.81378%0.778SS**  trans109.3166146.9-155.920.7000118.6
810V27.3Very low29.6Very low104 Ų104136.7 Ų136.763%0.6378%0.78SS**  trans98.195.4158-168.80000119.4
811L28.5Very low29.3Very low147 Ų147139.4 Ų139.477%0.7779%0.789SS**  trans63127.5137.7-58.4176.6000120.1
812S26.6Very low29.2Very low105 Ų105139.9 Ų139.973%0.73479%0.791SS**  74.2149.478.8-49.50000113.7
813E28.6Very low29.3Very low159 Ų159146.5 Ų146.574%0.74379%0.791SS**  cis-157.4160.823.9-161.3-15884.900111.4
814N28Very low29.6Very low142 Ų142145.2 Ų145.276%0.75979%0.793SS**  trans36.1141.9157.2-70.2-25.3000122.6
815G27.4Very low28.7Very low68 Ų68146.2 Ų146.270%0.70180%0.797SS**  cis128113.9-9.600000115.2
816Q28.9Very low29.7Very low187 Ų187145.3 Ų145.387%0.87480%0.799SS**  trans-168.8151.7156.2-115.6171.64.500115.8
817T24.7Very low30Very low119 Ų119143.2 Ų143.273%0.7380%0.797SS**  trans59.3101.2157.745.50000123
818F26.3Very low30.6Very low191 Ų191141.6 Ų141.684%0.83880%0.796SS**  trans6.7126.9138.1-59-90000121
819T24.4Very low30.5Very low148 Ų148141.6 Ų141.691%0.90880%0.796SS**  171.2160.1102.133.80000111.7
820G27.2Very low31.1Very low79 Ų79142.2 Ų142.281%0.81480%0.799SS**  trans101.214016200000116.8
821E27.5Very low32.3Very low193 Ų193142 Ų14290%0.90280%0.799SS**  trans-80.5142.3177.7-59.4167.693.500112.3
822Q27.7Very low33.5Very low188 Ų188140.8 Ų140.888%0.87980%0.797SS**  trans-134.4107.6152.5-64.6-169.315.600107.6
823R29Very low35Very low221 Ų221141.2 Ų141.283%0.83480%0.796SS**  66.294.776.9-170.1177.9-174.7125.30.9111.5T825R823-T825 PolarHBondContact O-N 2.88Å
824L33.8Very low36.9Very low178 Ų178134.9 Ų134.993%0.93277%0.767SS**  trans-50.5131.5168.5-66166.7000110.4
825T28.4Very low39.4Very low124 Ų124130.4 Ų130.476%0.76175%0.747SS**  trans-117.7149169.838.20000110R823R823-T825 PolarHBondContact O-N 2.88Å
826P43.8Very low42.1Very low125 Ų125132.7 Ų132.781%0.81274%0.742SS**PPolyproline II helixtrans-91.8172.2-157.136.5-38.1000114.9
827S34Very low45Very low105 Ų105130.4 Ų130.473%0.73473%0.732SS**SBendtrans-47.4152.2170.3-51.30000114
828P45.6Very low48.2Very low124 Ų124124.9 Ų124.981%0.80570%0.698SS**PPolyproline II helixtrans-66.9141-169.326.5-35.8000113.6
829P47.4Very low51.3Low114 Ų114116.2 Ų116.274%0.7466%0.661SS**PPolyproline II helixtrans-91.5125.8-176.134-33.2000113.3
830L37.4Very low54.5Low166 Ų166115.1 Ų115.187%0.86965%0.645SS**  trans-156.392.1143.7-85.8-167000109
831P52.4Low57.7Low100 Ų100113.2 Ų113.265%0.64962%0.616SS**  trans-67.9132.7159.330.1-31.4000108.5T833P831-T833 PolarHBondContact O-N 2.95Å
832V54.6Low60.9Low120 Ų120104 Ų10473%0.72757%0.573SS**  trans-71.399.9162.9176.70000106.2L834V832-L834 PolarHBondContact O-N 2.92Å
833T56.8Low64.1Low114 Ų11498.4 Ų98.470%0.69956%0.555SS**  trans-53.4114.5170.950.90000107.9P831P831-T833 PolarHBondContact O-N 2.95Å
834L69.6Low67.3Low27 Ų2793.7 Ų93.714%0.14154%0.54CS..  trans-61.4152.1176.7-60.9-174000109.4V832 L836 L842 L906 L965 I968V832-L834 PolarHBondContact O-N 2.92Å; L834-L836 PolarHBondContact O-N 3.07Å; L834-L842 HydrophobicContact CD1-CD1 4.48Å; L834-L906 HydrophobicContact CD1-CD1 4.37Å; L834-L906 HydrophobicContact CD2-CD1 4.02Å; L834-L965 VanDerWaalsContact CD1-O 3.3Å; L834-L965 WeakPolarHBondContact CD1-O 3.48Å; L834-I968 HydrophobicContact CD1-CB 4.12Å; L834-I968 HydrophobicContact CD1-CG2 4.31Å; L834-I968 HydrophobicContact CG-CG2 4.31Å
835S80.4Confident70.3Confident48 Ų4886.8 Ų86.834%0.33650%0.502SS..  trans-57.4135.2166.4-178.30000108E837 D838 S839S835-E837 PolarHBondContact O-N 3.15Å; S835-E837 PolarHBondContact OG-N 3.23Å; S835-D838 WeakPolarHBondContact O-CA 3.43Å; S835-D838 WeakPolarHBondContact O-CB 3.36Å; S835-D838 PolarHBondContact O-N 2.86Å; S835-S839 PolarHBondContact O-N 3.09Å
836L84.1Confident73.6Confident115 Ų11580.9 Ų80.960%0.60247%0.466SS*.Hα-helixtrans-54.2-35.8174.8-175.167.2000110.7L834 S839 E840L834-L836 PolarHBondContact O-N 3.07Å; L836-S839 PolarHBondContact O-N 2.98Å; L836-S839 PolarHBondContact O-OG 3.01Å; L836-E840 WeakPolarHBondContact O-CB 3.38Å; L836-E840 WeakPolarHBondContact O-CG 3.42Å; L836-E840 PolarHBondContact O-N 2.67Å
837E89.2Confident76Confident139 Ų13979 Ų7965%0.6546%0.455SS*.Hα-helixtrans-64.9-41.1174.1-56.3177.9148.900112.2S835 L841S835-E837 PolarHBondContact O-N 3.15Å; S835-E837 PolarHBondContact OG-N 3.23Å; E837-L841 WeakPolarHBondContact O-CB 3.42Å; E837-L841 PolarHBondContact O-N 3.3Å; E837-L841 VanDerWaalsContact O-N 3.12Å
838D91.8Very high79Confident4 Ų477.1 Ų77.12%0.02144%0.435CS..Hα-helixtrans-68.8-38.9176.8-85.833.2000110.9S835 L842 L901 T902 S903 L906S835-D838 WeakPolarHBondContact O-CA 3.43Å; S835-D838 WeakPolarHBondContact O-CB 3.36Å; S835-D838 PolarHBondContact O-N 2.86Å; D838-L842 WeakPolarHBondContact O-CB 3.4Å; D838-L842 WeakPolarHBondContact O-CD1 3.41Å; D838-L842 WeakPolarHBondContact O-CG 3.44Å; D838-L842 PolarHBondContact O-N 3.47Å; D838-L901 HydrophobicContact CB-CD2 3.74Å; D838-T902 WeakPolarHBondContact OD1-CB 3.22Å; D838-T902 PolarHBondContact OD1-N 2.71Å; D838-T902 PolarHBondContact OD1-OG1 2.56Å; D838-T902 PolarHBondContact OD2-N 3.35Å; D838-T902 PolarHBondContact OD2-OG1 2.98Å; D838-S903 WeakPolarHBondContact OD2-CB 3.4Å; D838-S903 PolarHBondContact OD2-N 3.06Å; D838-L906 HydrophobicContact CB-CD1 4.29Å
839S91.5Very high81.5Confident8 Ų871.2 Ų71.26%0.05640%0.397CS..Hα-helixtrans-76.8-39.5-178.566.90000113.2S835 L836 L842 S843 S969S835-S839 PolarHBondContact O-N 3.09Å; L836-S839 PolarHBondContact O-N 2.98Å; L836-S839 PolarHBondContact O-OG 3.01Å; S839-L842 PolarHBondContact O-N 3.33Å; S839-S843 VanDerWaalsContact O-CB 3.3Å; S839-S843 WeakPolarHBondContact O-CB 3.21Å; S839-S843 PolarHBondContact O-N 3.41Å; S839-S969 PolarHBondContact OG-OG 3.02Å
840E92.6Very high83.8Confident126 Ų12669.3 Ų69.359%0.58938%0.377SS*.Hα-helixtrans-60.6-45170.3-75.9-175176.900111.3L836 S843 F844L836-E840 WeakPolarHBondContact O-CB 3.38Å; L836-E840 WeakPolarHBondContact O-CG 3.42Å; L836-E840 PolarHBondContact O-N 2.67Å; E840-S843 PolarHBondContact O-N 2.83Å; E840-F844 PolarHBondContact O-N 3.09Å
841L94.8Very high86.7Confident39 Ų3964 Ų6420%0.20436%0.357CS..Hα-helixtrans-63.7-42.9178.5-170.873.7000112E837 Y845 L897 L900 L901E837-L841 WeakPolarHBondContact O-CB 3.42Å; E837-L841 PolarHBondContact O-N 3.3Å; E837-L841 VanDerWaalsContact O-N 3.12Å; L841-Y845 HydrophobicContact CD1-CD2 3.93Å; L841-Y845 HydrophobicContact CD1-CE2 3.71Å; L841-Y845 HydrophobicContact CG-CD2 4.04Å; L841-Y845 HydrophobicContact CG-CE2 4.24Å; L841-Y845 WeakPolarHBondContact O-CD2 3.48Å; L841-Y845 PolarHBondContact O-N 2.7Å; L841-L897 HydrophobicContact CD2-CD2 3.92Å; L841-L897 HydrophobicContact CG-CD2 3.86Å; L841-L900 HydrophobicContact CD1-CD1 4.14Å; L841-L900 HydrophobicContact CD2-CB 3.56Å; L841-L900 HydrophobicContact CD2-CD1 4.24Å; L841-L901 HydrophobicContact CD2-CD2 3.91Å; L841-L901 HydrophobicContact CD2-CG 4.18Å
842L95.1Very high88.8Confident0 Ų061 Ų610%033%0.334CS..Hα-helixtrans-64-40.4173.9-78.4169.4000112.2L834 D838 S839 S846 L897 L901 L906 I910 L962 L965 A966L834-L842 HydrophobicContact CD1-CD1 4.48Å; D838-L842 WeakPolarHBondContact O-CB 3.4Å; D838-L842 WeakPolarHBondContact O-CD1 3.41Å; D838-L842 WeakPolarHBondContact O-CG 3.44Å; D838-L842 PolarHBondContact O-N 3.47Å; S839-L842 PolarHBondContact O-N 3.33Å; L842-S846 WeakPolarHBondContact O-CB 3.24Å; L842-S846 PolarHBondContact O-N 3.32Å; L842-L897 HydrophobicContact CD2-CD1 4.32Å; L842-L897 HydrophobicContact CD2-CD2 4.29Å; L842-L901 HydrophobicContact CD1-CD2 4.45Å; L842-L901 HydrophobicContact CD2-CD1 4.15Å; L842-L901 HydrophobicContact CG-CD2 4.06Å; L842-L906 HydrophobicContact CD1-CD1 3.93Å; L842-I910 HydrophobicContact CD2-CD1 3.75Å; L842-L962 HydrophobicContact CD2-CD2 4.09Å; L842-L965 HydrophobicContact CD1-CB 3.79Å; L842-L965 HydrophobicContact CD2-CB 4.21Å; L842-A966 HydrophobicContact CB-CB 3.89Å
843S94.4Very high90.8Very high69 Ų6956 Ų5648%0.48330%0.303SS..Hα-helixtrans-62.7-49.5177.9-174.80000111.6S839 E840 Y845 S846 S847S839-S843 VanDerWaalsContact O-CB 3.3Å; S839-S843 WeakPolarHBondContact O-CB 3.21Å; S839-S843 PolarHBondContact O-N 3.41Å; E840-S843 PolarHBondContact O-N 2.83Å; S843-Y845 PolarHBondContact O-N 3.43Å; S843-S846 PolarHBondContact O-N 2.9Å; S843-S847 PolarHBondContact O-N 3.46Å; S843-S847 VanDerWaalsContact O-N 3.07Å
844F96.1Very high92.8Very high123 Ų12354 Ų5454%0.53929%0.294SS..Hα-helixtrans-56.9-52176174-96.6000112.1E840 S846 S847 Q848E840-F844 PolarHBondContact O-N 3.09Å; F844-S846 PolarHBondContact O-N 3.13Å; F844-S847 PolarHBondContact O-N 3.13Å; F844-Q848 PolarHBondContact O-N 3.02Å; F844-Q848 VanDerWaalsContact O-N 3.11Å
845Y97.2Very high94.1Very high33 Ų3355.4 Ų55.413%0.12931%0.306CS..Hα-helixtrans-73.4-25.6-178.7-82.6-62.6000113.6L841 S843 Q848 S849 I893 T896 L897L841-Y845 HydrophobicContact CD1-CD2 3.93Å; L841-Y845 HydrophobicContact CD1-CE2 3.71Å; L841-Y845 HydrophobicContact CG-CD2 4.04Å; L841-Y845 HydrophobicContact CG-CE2 4.24Å; L841-Y845 WeakPolarHBondContact O-CD2 3.48Å; L841-Y845 PolarHBondContact O-N 2.7Å; S843-Y845 PolarHBondContact O-N 3.43Å; Y845-Q848 VanDerWaalsContact CE1-OE1 3.27Å; Y845-S849 VanDerWaalsContact O-CB 3.26Å; Y845-S849 WeakPolarHBondContact O-CB 3.42Å; Y845-S849 PolarHBondContact O-N 2.85Å; Y845-S849 PolarHBondContact O-OG 3Å; Y845-I893 HydrophobicContact CD1-CB 4.24Å; Y845-I893 HydrophobicContact CD1-CD1 4.26Å; Y845-I893 HydrophobicContact CD1-CG1 3.79Å; Y845-I893 HydrophobicContact CD1-CG2 3.68Å; Y845-I893 HydrophobicContact CE1-CG1 4.13Å; Y845-I893 HydrophobicContact CG-CG2 3.97Å; Y845-T896 HydrophobicContact CE2-CG2 4.33Å; Y845-T896 WeakPolarHBondContact OH-CG2 3.5Å; Y845-L897 HydrophobicContact CD2-CD2 3.58Å; Y845-L897 HydrophobicContact CD2-CG 3.98Å; Y845-L897 HydrophobicContact CE2-CD2 4.37Å; Y845-L897 HydrophobicContact CG-CD1 4.4Å; Y845-L897 HydrophobicContact CG-CD2 4.14Å; Y845-L897 HydrophobicContact CG-CG 4.19Å
846S96.4Very high94.9Very high0 Ų053.1 Ų53.10%029%0.29CS..Hα-helixtrans-62.8-51.5170.3-174.20000110.6L842 S843 F844 Q848 S849 F850 Q963L842-S846 WeakPolarHBondContact O-CB 3.24Å; L842-S846 PolarHBondContact O-N 3.32Å; S843-S846 PolarHBondContact O-N 2.9Å; F844-S846 PolarHBondContact O-N 3.13Å; S846-Q848 VanDerWaalsContact C-N 3.33Å; S846-Q848 PolarHBondContact O-N 3.38Å; S846-S849 WeakPolarHBondContact O-CA 3.42Å; S846-S849 WeakPolarHBondContact O-CB 3.44Å; S846-S849 PolarHBondContact O-N 2.97Å; S846-S849 PolarHBondContact O-OG 3.07Å; S846-F850 VanDerWaalsContact O-CD2 3.31Å; S846-F850 WeakPolarHBondContact O-CD2 3.13Å; S846-F850 PolarHBondContact O-N 2.74Å; S846-Q963 VanDerWaalsContact OG-CA 3.3Å; S846-Q963 WeakPolarHBondContact OG-CA 3.39Å; S846-Q963 WeakPolarHBondContact OG-CB 3.33Å; S846-Q963 PolarHBondContact OG-N 3.43Å; S846-Q963 PolarHBondContact OG-OE1 2.84Å
847S95.4Very high95.6Very high84 Ų8448.8 Ų48.859%0.58727%0.27SS*.Hα-helixtrans-55.5-47.1175.8-1770000111.9S843 F844 S849 F850 A851S843-S847 PolarHBondContact O-N 3.46Å; S843-S847 VanDerWaalsContact O-N 3.07Å; F844-S847 PolarHBondContact O-N 3.13Å; S847-S849 VanDerWaalsContact C-N 3.3Å; S847-S849 PolarHBondContact O-N 3.49Å; S847-F850 PolarHBondContact O-N 2.68Å; S847-A851 PolarHBondContact O-N 3.48Å
848Q96.1Very high96Very high66 Ų6646.7 Ų46.731%0.30826%0.264SS..Hα-helixtrans-62.8-35175.7-167.7175.657.600112.8F844 Y845 S846 A851 H852 I893F844-Q848 PolarHBondContact O-N 3.02Å; F844-Q848 VanDerWaalsContact O-N 3.11Å; Y845-Q848 VanDerWaalsContact CE1-OE1 3.27Å; S846-Q848 VanDerWaalsContact C-N 3.33Å; S846-Q848 PolarHBondContact O-N 3.38Å; Q848-A851 PolarHBondContact O-N 3.49Å; Q848-H852 PolarHBondContact O-N 3.47Å; Q848-I893 HydrophobicContact CB-CD1 4.21Å; Q848-I893 HydrophobicContact CG-CD1 3.95Å
849S97.3Very high96.2Very high0 Ų047.1 Ų47.10%027%0.268CS..Hα-helixtrans-70.1-29178.177.80000113.6Y845 S846 S847 L853 L890 S959Y845-S849 VanDerWaalsContact O-CB 3.26Å; Y845-S849 WeakPolarHBondContact O-CB 3.42Å; Y845-S849 PolarHBondContact O-N 2.85Å; Y845-S849 PolarHBondContact O-OG 3Å; S846-S849 WeakPolarHBondContact O-CA 3.42Å; S846-S849 WeakPolarHBondContact O-CB 3.44Å; S846-S849 PolarHBondContact O-N 2.97Å; S846-S849 PolarHBondContact O-OG 3.07Å; S847-S849 VanDerWaalsContact C-N 3.3Å; S847-S849 PolarHBondContact O-N 3.49Å; S849-L853 WeakPolarHBondContact O-CB 3.41Å; S849-L853 PolarHBondContact O-N 2.87Å; S849-L890 WeakPolarHBondContact O-CD2 3.45Å; S849-S959 WeakPolarHBondContact CB-OG 3.41Å; S849-S959 PolarHBondContact O-OG 2.94Å; S849-S959 VanDerWaalsContact O-OG 3.14Å; S849-S959 WeakPolarHBondContact OG-CA 3.49Å; S849-S959 VanDerWaalsContact OG-CB 3.28Å; S849-S959 WeakPolarHBondContact OG-CB 3.44Å; S849-S959 PolarHBondContact OG-OG 3.06Å
850F97.5Very high96.5Very high74 Ų7447.6 Ų47.633%0.32527%0.27SS..Hα-helixtrans-73.4-43.2170.8-76.9-73.3000111.8S846 S847 H852 L853 S854 T960 Q963S846-F850 VanDerWaalsContact O-CD2 3.31Å; S846-F850 WeakPolarHBondContact O-CD2 3.13Å; S846-F850 PolarHBondContact O-N 2.74Å; S847-F850 PolarHBondContact O-N 2.68Å; F850-H852 PolarHBondContact O-N 2.98Å; F850-L853 HydrophobicContact CD1-CD2 4.24Å; F850-L853 HydrophobicContact CE1-CD2 4.49Å; F850-L853 WeakPolarHBondContact O-CA 3.48Å; F850-L853 WeakPolarHBondContact O-CB 3.43Å; F850-L853 PolarHBondContact O-N 3.33Å; F850-S854 PolarHBondContact O-N 3Å; F850-S854 PolarHBondContact O-OG 3.35Å; F850-T960 HydrophobicContact CE1-CG2 4.43Å; F850-T960 HydrophobicContact CZ-CG2 4.28Å; F850-Q963 HydrophobicContact CE2-CB 4.01Å; F850-Q963 HydrophobicContact CE2-CG 4.4Å; F850-Q963 HydrophobicContact CZ-CB 4.34Å
851A96.9Very high96.8Very high55 Ų5546.2 Ų46.246%0.45527%0.266SS..Hα-helixtrans-58.1-36.8174.800000112.2S847 Q848 C855S847-A851 PolarHBondContact O-N 3.48Å; Q848-A851 PolarHBondContact O-N 3.49Å; A851-C855 PolarHBondContact O-N 2.93Å; A851-C855 PolarHBondContact O-SG 3.42Å; A851-C855 VanDerWaalsContact O-SG 3.36Å
852H96.7Very high96.9Very high37 Ų3747.4 Ų47.417%0.17128%0.275CS..Hα-helixtrans-78.3-20.9174.4-67.6-8.3000114.3Q848 F850 L856 T886 K889 L890Q848-H852 PolarHBondContact O-N 3.47Å; F850-H852 PolarHBondContact O-N 2.98Å; H852-L856 WeakPolarHBondContact O-CB 3.49Å; H852-L856 PolarHBondContact O-N 3.04Å; H852-L856 VanDerWaalsContact O-N 3.17Å; H852-T886 WeakPolarHBondContact O-CG2 3.16Å; H852-K889 VanDerWaalsContact CD2-CB 3.41Å; H852-K889 WeakPolarHBondContact CD2-CB 3.49Å; H852-L890 HydrophobicContact CB-CD2 3.75Å; H852-L890 HydrophobicContact CB-CG 4.12Å
853L97.8Very high97Very high14 Ų1447.4 Ų47.47%0.07328%0.275CS..Hα-helixtrans-74.5-40.3171.5-174.567000111.4S849 F850 L856 A857 Y952 A955 A956S849-L853 WeakPolarHBondContact O-CB 3.41Å; S849-L853 PolarHBondContact O-N 2.87Å; F850-L853 HydrophobicContact CD1-CD2 4.24Å; F850-L853 HydrophobicContact CE1-CD2 4.49Å; F850-L853 WeakPolarHBondContact O-CA 3.48Å; F850-L853 WeakPolarHBondContact O-CB 3.43Å; F850-L853 PolarHBondContact O-N 3.33Å; L853-L856 WeakPolarHBondContact O-CB 3.16Å; L853-L856 PolarHBondContact O-N 3.18Å; L853-L856 VanDerWaalsContact O-N 3.13Å; L853-A857 PolarHBondContact O-N 2.86Å; L853-Y952 HydrophobicContact CD1-CD2 3.89Å; L853-Y952 HydrophobicContact CD1-CE2 3.56Å; L853-Y952 HydrophobicContact CG-CE2 3.98Å; L853-A955 HydrophobicContact CD1-CB 3.63Å; L853-A956 HydrophobicContact CD1-CB 4.28Å; L853-A956 HydrophobicContact CD2-CB 4.01Å
854S97.6Very high97.1Very high73 Ų7346.6 Ų46.651%0.5127%0.266SS..Hα-helixtrans-60.3-52.8172-59.40000111.1F850 L856 A857 D858F850-S854 PolarHBondContact O-N 3Å; F850-S854 PolarHBondContact O-OG 3.35Å; S854-L856 PolarHBondContact O-N 3.31Å; S854-A857 WeakPolarHBondContact O-CB 3.47Å; S854-A857 PolarHBondContact O-N 2.89Å; S854-D858 PolarHBondContact O-N 3.08Å
855C97.1Very high97.1Very high56 Ų5644.7 Ų44.738%0.37827%0.267SS..Hα-helixtrans-62-14.9174.6-62.70000114.5A851 D858 A859 T886A851-C855 PolarHBondContact O-N 2.93Å; A851-C855 PolarHBondContact O-SG 3.42Å; A851-C855 VanDerWaalsContact O-SG 3.36Å; C855-D858 WeakPolarHBondContact CA-OD2 3.42Å; C855-A859 WeakPolarHBondContact O-CB 3.36Å; C855-T886 HydrophobicContact CB-CG2 3.98Å
856L97.8Very high97.1Very high0 Ų043.5 Ų43.50%026%0.264CS..Hα-helixtrans-82.1-41.5172.4-178.360.8000110.8H852 L853 S854 A859 I860 L883 T886 A887 L890 Y952 A955H852-L856 WeakPolarHBondContact O-CB 3.49Å; H852-L856 PolarHBondContact O-N 3.04Å; H852-L856 VanDerWaalsContact O-N 3.17Å; L853-L856 WeakPolarHBondContact O-CB 3.16Å; L853-L856 PolarHBondContact O-N 3.18Å; L853-L856 VanDerWaalsContact O-N 3.13Å; S854-L856 PolarHBondContact O-N 3.31Å; L856-A859 PolarHBondContact O-N 3.4Å; L856-I860 HydrophobicContact CD1-CD1 4.41Å; L856-I860 HydrophobicContact CG-CD1 3.99Å; L856-I860 WeakPolarHBondContact O-CD1 3.36Å; L856-I860 WeakPolarHBondContact O-CG1 3.47Å; L856-I860 PolarHBondContact O-N 2.84Å; L856-L883 HydrophobicContact CD1-CD2 4.28Å; L856-L883 HydrophobicContact CD1-CG 3.96Å; L856-T886 HydrophobicContact CB-CG2 4.07Å; L856-A887 HydrophobicContact CD1-CB 3.68Å; L856-A887 HydrophobicContact CD2-CB 3.6Å; L856-A887 HydrophobicContact CG-CB 4.24Å; L856-L890 HydrophobicContact CD2-CD1 4.41Å; L856-Y952 HydrophobicContact CD2-CD2 4.35Å; L856-Y952 HydrophobicContact CG-CD2 4.49Å; L856-A955 HydrophobicContact CD2-CB 3.7Å
857A97.8Very high97Very high24 Ų2444.4 Ų44.420%0.19827%0.269CS..Hα-helixtrans-57.8-51.3171.800000111L853 S854 A859 I860 D861 Y952L853-A857 PolarHBondContact O-N 2.86Å; S854-A857 WeakPolarHBondContact O-CB 3.47Å; S854-A857 PolarHBondContact O-N 2.89Å; A857-A859 PolarHBondContact O-N 3.43Å; A857-A859 VanDerWaalsContact O-N 3.09Å; A857-I860 WeakPolarHBondContact O-CA 3.37Å; A857-I860 WeakPolarHBondContact O-CB 3.25Å; A857-I860 PolarHBondContact O-N 3.2Å; A857-D861 PolarHBondContact O-N 3.18Å; A857-Y952 HydrophobicContact CB-CE2 4.14Å
858D97.4Very high96.9Very high95 Ų9546.3 Ų46.351%0.50827%0.269SS..Hα-helixtrans-52.9-38.3176.4-49.6-31.4000112.3S854 C855 V862S854-D858 PolarHBondContact O-N 3.08Å; C855-D858 WeakPolarHBondContact CA-OD2 3.42Å; D858-V862 WeakPolarHBondContact O-CB 3.46Å; D858-V862 VanDerWaalsContact O-CG2 3.25Å; D858-V862 WeakPolarHBondContact O-CG2 3.27Å; D858-V862 PolarHBondContact O-N 3.45Å
859A97.5Very high96.7Very high14 Ų1445 Ų4512%0.11627%0.273CS..Hα-helixtrans-79.2-21.8179.800000113.7C855 L856 A857 L863 L883C855-A859 WeakPolarHBondContact O-CB 3.36Å; L856-A859 PolarHBondContact O-N 3.4Å; A857-A859 PolarHBondContact O-N 3.43Å; A857-A859 VanDerWaalsContact O-N 3.09Å; A859-L863 WeakPolarHBondContact O-CB 3.45Å; A859-L863 PolarHBondContact O-N 2.91Å; A859-L883 HydrophobicContact CB-CB 4.17Å
860I97.8Very high96.5Very high18 Ų1850.3 Ų50.39%0.09230%0.301CS..Hα-helixtrans-75.7-50.4171.3-70.3164.1000109.1L856 A857 V862 L863 D864 L883 V948 Y952L856-I860 HydrophobicContact CD1-CD1 4.41Å; L856-I860 HydrophobicContact CG-CD1 3.99Å; L856-I860 WeakPolarHBondContact O-CD1 3.36Å; L856-I860 WeakPolarHBondContact O-CG1 3.47Å; L856-I860 PolarHBondContact O-N 2.84Å; A857-I860 WeakPolarHBondContact O-CA 3.37Å; A857-I860 WeakPolarHBondContact O-CB 3.25Å; A857-I860 PolarHBondContact O-N 3.2Å; I860-V862 VanDerWaalsContact C-N 3.26Å; I860-V862 PolarHBondContact O-N 3.16Å; I860-L863 CarbonylContact O-C 3.52Å; I860-L863 WeakPolarHBondContact O-CA 3.47Å; I860-L863 WeakPolarHBondContact O-CB 3.25Å; I860-L863 PolarHBondContact O-N 2.84Å; I860-D864 WeakPolarHBondContact O-CB 3.32Å; I860-D864 PolarHBondContact O-N 3Å; I860-L883 HydrophobicContact CG1-CD1 3.69Å; I860-L883 HydrophobicContact CG1-CG 4.36Å; I860-V948 HydrophobicContact CB-CG1 4.35Å; I860-V948 HydrophobicContact CD1-CG1 4.17Å; I860-V948 HydrophobicContact CG1-CG1 3.67Å; I860-V948 HydrophobicContact CG2-CG1 3.93Å; I860-Y952 HydrophobicContact CD1-CD2 3.84Å; I860-Y952 HydrophobicContact CD1-CG 4.02Å
861D97.7Very high96.4Very high96 Ų9650.3 Ų50.351%0.51330%0.302SS..Hα-helixtrans-61.6-36.4-177.4-59.3-21000111.7A857 S865A857-D861 PolarHBondContact O-N 3.18Å; D861-S865 VanDerWaalsContact O-CB 3.28Å; D861-S865 WeakPolarHBondContact O-CB 3.06Å; D861-S865 PolarHBondContact O-N 2.85Å; D861-S865 PolarHBondContact O-OG 2.65Å
862V97.2Very high96.4Very high64 Ų6450.4 Ų50.439%0.38830%0.298SS..Hα-helixtrans-72.7-28.7173.8171.30000113D858 I860 R879D858-V862 WeakPolarHBondContact O-CB 3.46Å; D858-V862 VanDerWaalsContact O-CG2 3.25Å; D858-V862 WeakPolarHBondContact O-CG2 3.27Å; D858-V862 PolarHBondContact O-N 3.45Å; I860-V862 VanDerWaalsContact C-N 3.26Å; I860-V862 PolarHBondContact O-N 3.16Å; V862-R879 HydrophobicContact CG1-CG 4.18Å
863L97.2Very high96.4Very high1 Ų150.1 Ų50.11%0.00530%0.3CS..Hα-helixtrans-73.2-47.5170.4173.263000110.4A859 I860 S866 V867 F876 R879 L883 M944 M945 V948A859-L863 WeakPolarHBondContact O-CB 3.45Å; A859-L863 PolarHBondContact O-N 2.91Å; I860-L863 CarbonylContact O-C 3.52Å; I860-L863 WeakPolarHBondContact O-CA 3.47Å; I860-L863 WeakPolarHBondContact O-CB 3.25Å; I860-L863 PolarHBondContact O-N 2.84Å; L863-S866 CarbonylContact O-C 3.36Å; L863-S866 WeakPolarHBondContact O-CA 3.46Å; L863-S866 WeakPolarHBondContact O-CB 3.32Å; L863-S866 PolarHBondContact O-N 2.94Å; L863-S866 PolarHBondContact O-OG 2.76Å; L863-V867 HydrophobicContact CD1-CG2 4.3Å; L863-V867 PolarHBondContact O-N 2.97Å; L863-F876 HydrophobicContact CD1-CB 3.88Å; L863-F876 WeakPolarHBondContact CD1-O 3.44Å; L863-R879 HydrophobicContact CB-CB 4.17Å; L863-R879 HydrophobicContact CD1-CB 3.95Å; L863-L883 HydrophobicContact CB-CD1 4.45Å; L863-L883 HydrophobicContact CD2-CD1 3.65Å; L863-M944 HydrophobicContact CD1-CE 4.32Å; L863-M945 HydrophobicContact CD2-CE 4.44Å; L863-M945 HydrophobicContact CD2-SD 3.98Å; L863-M945 HydrophobicContact CG-CE 4.29Å; L863-M945 HydrophobicContact CG-SD 4Å; L863-V948 HydrophobicContact CD2-CG2 4.04Å
864D96.6Very high96.3Very high52 Ų5260.4 Ų60.428%0.27834%0.338SS..Hα-helixtrans-59-48.7-179-174.385000111.6I860 S866 V867 H868 M945I860-D864 WeakPolarHBondContact O-CB 3.32Å; I860-D864 PolarHBondContact O-N 3Å; D864-S866 PolarHBondContact O-N 2.91Å; D864-S866 VanDerWaalsContact O-N 3.13Å; D864-V867 PolarHBondContact O-N 2.94Å; D864-H868 VanDerWaalsContact CG-ND1 3.3Å; D864-H868 PolarHBondContact O-N 3.13Å; D864-H868 PolarHBondContact O-ND1 3.37Å; D864-H868 IonicContact OD1-CE1 2.67Å; D864-H868 PolarHBondContact OD1-CE1 2.74Å; D864-H868 VanDerWaalsContact OD1-CE1 3.24Å; D864-H868 IonicContact OD1-ND1 3.22Å; D864-H868 PolarHBondContact OD1-ND1 3.27Å; D864-H868 IonicContact OD2-CE1 2.81Å; D864-H868 PolarHBondContact OD2-CE1 3.22Å; D864-H868 IonicContact OD2-CG 3.13Å; D864-H868 IonicContact OD2-ND1 2.83Å; D864-H868 PolarHBondContact OD2-ND1 3.27Å; D864-M945 HydrophobicContact CB-CE 3.61Å; D864-M945 WeakPolarHBondContact OD1-CE 3.33Å
865S96.8Very high96.2Very high82 Ų8260 Ų6057%0.57333%0.329SS*.Hα-helixtrans-54.1-33.7171.6-60.70000112.7D861 G869D861-S865 VanDerWaalsContact O-CB 3.28Å; D861-S865 WeakPolarHBondContact O-CB 3.06Å; D861-S865 PolarHBondContact O-N 2.85Å; D861-S865 PolarHBondContact O-OG 2.65Å; S865-G869 WeakPolarHBondContact O-CA 3.4Å; S865-G869 PolarHBondContact O-N 3.24Å
866S95.8Very high96.2Very high8 Ų857.5 Ų57.56%0.05631%0.312CS..Hα-helixtrans-80-25.2177.278.50000113.7L863 D864 Q871 F876L863-S866 CarbonylContact O-C 3.36Å; L863-S866 WeakPolarHBondContact O-CA 3.46Å; L863-S866 WeakPolarHBondContact O-CB 3.32Å; L863-S866 PolarHBondContact O-N 2.94Å; L863-S866 PolarHBondContact O-OG 2.76Å; D864-S866 PolarHBondContact O-N 2.91Å; D864-S866 VanDerWaalsContact O-N 3.13Å; S866-Q871 WeakPolarHBondContact O-CB 3.28Å; S866-Q871 VanDerWaalsContact O-CG 3.26Å; S866-Q871 WeakPolarHBondContact O-CG 3.35Å; S866-Q871 PolarHBondContact O-N 3.22Å; S866-F876 WeakPolarHBondContact OG-CB 3.17Å
867V94.6Very high96.2Very high19 Ų1959 Ų5912%0.11532%0.321CS..Hα-helixtrans-79.8-50175173.30000110.4L863 D864 G869 N870 F876 T941 M944 M945L863-V867 HydrophobicContact CD1-CG2 4.3Å; L863-V867 PolarHBondContact O-N 2.97Å; D864-V867 PolarHBondContact O-N 2.94Å; V867-G869 VanDerWaalsContact C-N 3.28Å; V867-G869 PolarHBondContact O-N 2.73Å; V867-N870 WeakPolarHBondContact O-CA 3.42Å; V867-N870 PolarHBondContact O-N 3.39Å; V867-F876 HydrophobicContact CG2-CB 4.32Å; V867-T941 HydrophobicContact CG1-CG2 4.35Å; V867-M944 HydrophobicContact CG2-CE 3.45Å; V867-M944 VanDerWaalsContact CG2-CE 3.45Å; V867-M945 HydrophobicContact CG1-CG 4.25Å; V867-M945 HydrophobicContact CG2-CG 4.44Å; V867-M945 HydrophobicContact CG2-SD 3.93Å
868H93.6Very high96.1Very high124 Ų12460.4 Ų60.457%0.57433%0.332SS*.Hα-helixtrans-60.3-38.3172.8-74112.6000112D864 N870D864-H868 VanDerWaalsContact CG-ND1 3.3Å; D864-H868 PolarHBondContact O-N 3.13Å; D864-H868 PolarHBondContact O-ND1 3.37Å; D864-H868 IonicContact OD1-CE1 2.67Å; D864-H868 PolarHBondContact OD1-CE1 2.74Å; D864-H868 VanDerWaalsContact OD1-CE1 3.24Å; D864-H868 IonicContact OD1-ND1 3.22Å; D864-H868 PolarHBondContact OD1-ND1 3.27Å; D864-H868 IonicContact OD2-CE1 2.81Å; D864-H868 PolarHBondContact OD2-CE1 3.22Å; D864-H868 IonicContact OD2-CG 3.13Å; D864-H868 IonicContact OD2-ND1 2.83Å; D864-H868 PolarHBondContact OD2-ND1 3.27Å; H868-N870 PolarHBondContact O-N 2.98Å; H868-N870 PolarHBondContact O-ND2 2.81Å
869G92.9Very high96.1Very high39 Ų3961.8 Ų61.840%0.40233%0.33SS..THydrogen-bonded Turntrans-69.69.917000000115.4S865 V867 Q871S865-G869 WeakPolarHBondContact O-CA 3.4Å; S865-G869 PolarHBondContact O-N 3.24Å; V867-G869 VanDerWaalsContact C-N 3.28Å; V867-G869 PolarHBondContact O-N 2.73Å; G869-Q871 PolarHBondContact O-N 3.11Å; G869-Q871 PolarHBondContact O-NE2 2.87Å
870N92.4Very high96Very high112 Ų11261.1 Ų61.160%0.59933%0.325SS*.THydrogen-bonded Turntrans46.639.4177.9-76.4-94.9000113.5V867 H868 Y935V867-N870 WeakPolarHBondContact O-CA 3.42Å; V867-N870 PolarHBondContact O-N 3.39Å; H868-N870 PolarHBondContact O-N 2.98Å; H868-N870 PolarHBondContact O-ND2 2.81Å; N870-Y935 PolarHBondContact O-OH 3.4Å; N870-Y935 VanDerWaalsContact O-OH 3.12Å
871Q95.9Very high96Very high74 Ų7466.5 Ų66.535%0.34635%0.348SS..  trans-72.6147.2-175-63.1-64.4-62.100111.1S866 G869 I875 F876 Y935S866-Q871 WeakPolarHBondContact O-CB 3.28Å; S866-Q871 VanDerWaalsContact O-CG 3.26Å; S866-Q871 WeakPolarHBondContact O-CG 3.35Å; S866-Q871 PolarHBondContact O-N 3.22Å; G869-Q871 PolarHBondContact O-N 3.11Å; G869-Q871 PolarHBondContact O-NE2 2.87Å; Q871-I875 HydrophobicContact CB-CB 4.01Å; Q871-I875 HydrophobicContact CB-CD1 4.38Å; Q871-I875 HydrophobicContact CB-CG2 3.97Å; Q871-I875 HydrophobicContact CG-CG2 4.26Å; Q871-I875 VanDerWaalsContact OE1-CD1 3.25Å; Q871-F876 VanDerWaalsContact O-CD1 3.27Å; Q871-F876 WeakPolarHBondContact O-CD1 3.39Å; Q871-Y935 WeakPolarHBondContact O-CE2 3.42Å
872P95.6Very high95.9Very high57 Ų5765.2 Ų65.237%0.3735%0.346SS..  trans-63.7156.7178.325.8-35.7000112.1R874 I875P872-R874 PolarHBondContact O-N 3.06Å; P872-I875 HydrophobicContact CG-CD1 4.22Å; P872-I875 PolarHBondContact O-N 3.15Å
873P96.8Very high95.9Very high30 Ų3062.2 Ų62.220%0.19533%0.328CS..Hα-helixtrans-53.1-27.1-176.8-30.236.1000115.5I875 F876 V877 A932 Y935P873-I875 PolarHBondContact O-N 2.87Å; P873-F876 VanDerWaalsContact CA-CE1 3.45Å; P873-F876 HydrophobicContact CB-CE1 4.03Å; P873-F876 HydrophobicContact CB-CZ 3.94Å; P873-F876 HydrophobicContact CG-CE1 3.83Å; P873-F876 HydrophobicContact CG-CZ 3.9Å; P873-V877 HydrophobicContact CB-CG2 4.29Å; P873-V877 WeakPolarHBondContact O-CB 3.23Å; P873-V877 WeakPolarHBondContact O-CG2 3.09Å; P873-V877 PolarHBondContact O-N 3.23Å; P873-A932 HydrophobicContact CB-CB 3.9Å; P873-A932 HydrophobicContact CG-CB 4.46Å; P873-Y935 HydrophobicContact CG-CD1 4.03Å; P873-Y935 HydrophobicContact CG-CD2 3.84Å; P873-Y935 HydrophobicContact CG-CG 3.53Å
874R95.9Very high95.9Very high231 Ų23163.9 Ų63.987%0.87234%0.336SS*.Hα-helixtrans-56.1-31.1174-66.2-177.9-179.7-118.41.9112.9P872 A878P872-R874 PolarHBondContact O-N 3.06Å; R874-A878 WeakPolarHBondContact O-CB 3.17Å
875I96.6Very high95.9Very high65 Ų6565.8 Ų65.833%0.33335%0.35SS..Hα-helixtrans-92.9-57.5-176.8-64.6175.2000110.8Q871 P872 P873 V877 A878 R879Q871-I875 HydrophobicContact CB-CB 4.01Å; Q871-I875 HydrophobicContact CB-CD1 4.38Å; Q871-I875 HydrophobicContact CB-CG2 3.97Å; Q871-I875 HydrophobicContact CG-CG2 4.26Å; Q871-I875 VanDerWaalsContact OE1-CD1 3.25Å; P872-I875 HydrophobicContact CG-CD1 4.22Å; P872-I875 PolarHBondContact O-N 3.15Å; P873-I875 PolarHBondContact O-N 2.87Å; I875-V877 VanDerWaalsContact C-N 3.32Å; I875-V877 PolarHBondContact O-N 3.49Å; I875-A878 WeakPolarHBondContact O-CA 3.45Å; I875-A878 WeakPolarHBondContact O-CB 3.5Å; I875-A878 PolarHBondContact O-N 2.9Å; I875-R879 PolarHBondContact O-N 3.42Å
876F96.4Very high95.8Very high2 Ų262.5 Ų62.51%0.00933%0.326CS..Hα-helixtrans-66.4-31.7-177.272.4-109.5000112.8L863 S866 V867 Q871 P873 A878 R879 G880 A931 A932 Y935 M944L863-F876 HydrophobicContact CD1-CB 3.88Å; L863-F876 WeakPolarHBondContact CD1-O 3.44Å; S866-F876 WeakPolarHBondContact OG-CB 3.17Å; V867-F876 HydrophobicContact CG2-CB 4.32Å; Q871-F876 VanDerWaalsContact O-CD1 3.27Å; Q871-F876 WeakPolarHBondContact O-CD1 3.39Å; P873-F876 VanDerWaalsContact CA-CE1 3.45Å; P873-F876 HydrophobicContact CB-CE1 4.03Å; P873-F876 HydrophobicContact CB-CZ 3.94Å; P873-F876 HydrophobicContact CG-CE1 3.83Å; P873-F876 HydrophobicContact CG-CZ 3.9Å; F876-A878 VanDerWaalsContact C-N 3.29Å; F876-A878 PolarHBondContact O-N 3.32Å; F876-R879 PolarHBondContact O-N 2.97Å; F876-G880 PolarHBondContact O-N 3.3Å; F876-A931 HydrophobicContact CE2-CB 3.97Å; F876-A931 HydrophobicContact CZ-CB 4.13Å; F876-A932 HydrophobicContact CE2-CB 4.27Å; F876-A932 HydrophobicContact CZ-CB 4.33Å; F876-Y935 AromaticContact CE1-CD2 3.81Å; F876-Y935 HydrophobicContact CE1-CD2 3.81Å; F876-Y935 HydrophobicContact CE1-CE2 4.12Å; F876-Y935 HydrophobicContact CZ-CD2 4.37Å; F876-M944 HydrophobicContact CD2-CE 3.96Å; F876-M944 HydrophobicContact CD2-SD 4.06Å; F876-M944 HydrophobicContact CE2-CE 4.31Å; F876-M944 HydrophobicContact CE2-SD 4.19Å
877V97.6Very high95.9Very high33 Ų3362.1 Ų62.120%0.232%0.324CS..Hα-helixtrans-69.7-27.5172.8-178.30000111.5P873 I875 K881 T928 A932P873-V877 HydrophobicContact CB-CG2 4.29Å; P873-V877 WeakPolarHBondContact O-CB 3.23Å; P873-V877 WeakPolarHBondContact O-CG2 3.09Å; P873-V877 PolarHBondContact O-N 3.23Å; I875-V877 VanDerWaalsContact C-N 3.32Å; I875-V877 PolarHBondContact O-N 3.49Å; V877-K881 WeakPolarHBondContact O-CB 3.23Å; V877-K881 WeakPolarHBondContact O-CD 3.24Å; V877-K881 VanDerWaalsContact O-CG 3.22Å; V877-K881 WeakPolarHBondContact O-CG 3.27Å; V877-K881 PolarHBondContact O-N 3.38Å; V877-T928 HydrophobicContact CB-CG2 4.42Å; V877-T928 HydrophobicContact CG1-CG2 4.36Å; V877-T928 HydrophobicContact CG2-CG2 3.98Å; V877-A932 HydrophobicContact CG2-CB 3.68Å
878A96.8Very high96Very high52 Ų5266.1 Ų66.143%0.4334%0.341SS..Hα-helixtrans-71.5-41.3172.100000111.8R874 I875 F876 K881 S882R874-A878 WeakPolarHBondContact O-CB 3.17Å; I875-A878 WeakPolarHBondContact O-CA 3.45Å; I875-A878 WeakPolarHBondContact O-CB 3.5Å; I875-A878 PolarHBondContact O-N 2.9Å; F876-A878 VanDerWaalsContact C-N 3.29Å; F876-A878 PolarHBondContact O-N 3.32Å; A878-K881 PolarHBondContact O-N 3.05Å; A878-S882 PolarHBondContact O-N 2.91Å
879R95.9Very high96.2Very high124 Ų12464.2 Ų64.247%0.46833%0.331SS..Hα-helixtrans-63.9-46.7172.2-59.1-48.4-168.4167.11111.6V862 L863 I875 F876 K881 S882 L883V862-R879 HydrophobicContact CG1-CG 4.18Å; L863-R879 HydrophobicContact CB-CB 4.17Å; L863-R879 HydrophobicContact CD1-CB 3.95Å; I875-R879 PolarHBondContact O-N 3.42Å; F876-R879 PolarHBondContact O-N 2.97Å; R879-K881 VanDerWaalsContact C-N 3.33Å; R879-K881 PolarHBondContact O-N 3.28Å; R879-S882 WeakPolarHBondContact O-CA 3.4Å; R879-S882 VanDerWaalsContact O-CB 3.29Å; R879-S882 WeakPolarHBondContact O-CB 3.38Å; R879-S882 PolarHBondContact O-N 3.48Å; R879-L883 PolarHBondContact O-N 3.46Å
880G96.9Very high96.4Very high0 Ų062.3 Ų62.30%031%0.312CS..Hα-helixtrans-56.8-40.5175.400000113.2F876 S882 L883 I884F876-G880 PolarHBondContact O-N 3.3Å; G880-S882 VanDerWaalsContact C-N 3.34Å; G880-S882 PolarHBondContact O-N 3.3Å; G880-L883 WeakPolarHBondContact O-CB 3.19Å; G880-L883 PolarHBondContact O-N 2.89Å; G880-I884 WeakPolarHBondContact O-CB 3.39Å; G880-I884 VanDerWaalsContact O-CD1 3.31Å; G880-I884 WeakPolarHBondContact O-CD1 3.42Å; G880-I884 WeakPolarHBondContact O-CG1 3.46Å; G880-I884 PolarHBondContact O-N 3.18Å
881K96.1Very high96.6Very high132 Ų13257.2 Ų57.257%0.57428%0.284SS*.Hα-helixtrans-60-40.5171.6-77.8165.8-178.9172.70112.7V877 A878 R879 I884 V885V877-K881 WeakPolarHBondContact O-CB 3.23Å; V877-K881 WeakPolarHBondContact O-CD 3.24Å; V877-K881 VanDerWaalsContact O-CG 3.22Å; V877-K881 WeakPolarHBondContact O-CG 3.27Å; V877-K881 PolarHBondContact O-N 3.38Å; A878-K881 PolarHBondContact O-N 3.05Å; R879-K881 VanDerWaalsContact C-N 3.33Å; R879-K881 PolarHBondContact O-N 3.28Å; K881-I884 PolarHBondContact O-N 2.88Å; K881-V885 WeakPolarHBondContact O-CG2 3.36Å; K881-V885 PolarHBondContact O-N 3.08Å
882S95.7Very high96.7Very high69 Ų6959.1 Ų59.148%0.48329%0.292SS..Hα-helixtrans-65.2-45.4176.5-164.40000111.6A878 R879 G880 I884 V885 T886A878-S882 PolarHBondContact O-N 2.91Å; R879-S882 WeakPolarHBondContact O-CA 3.4Å; R879-S882 VanDerWaalsContact O-CB 3.29Å; R879-S882 WeakPolarHBondContact O-CB 3.38Å; R879-S882 PolarHBondContact O-N 3.48Å; G880-S882 VanDerWaalsContact C-N 3.34Å; G880-S882 PolarHBondContact O-N 3.3Å; S882-I884 PolarHBondContact O-N 2.89Å; S882-V885 PolarHBondContact O-N 2.76Å; S882-T886 PolarHBondContact O-N 2.95Å
883L97.5Very high96.7Very high0 Ų056.5 Ų56.50%027%0.274CS..Hα-helixtrans-56.7-47173.2177.2165.4000111.4L856 A859 I860 L863 R879 G880 V885 T886 A887 V924 V948 L951L856-L883 HydrophobicContact CD1-CD2 4.28Å; L856-L883 HydrophobicContact CD1-CG 3.96Å; A859-L883 HydrophobicContact CB-CB 4.17Å; I860-L883 HydrophobicContact CG1-CD1 3.69Å; I860-L883 HydrophobicContact CG1-CG 4.36Å; L863-L883 HydrophobicContact CB-CD1 4.45Å; L863-L883 HydrophobicContact CD2-CD1 3.65Å; R879-L883 PolarHBondContact O-N 3.46Å; G880-L883 WeakPolarHBondContact O-CB 3.19Å; G880-L883 PolarHBondContact O-N 2.89Å; L883-V885 VanDerWaalsContact C-N 3.32Å; L883-V885 PolarHBondContact O-N 3.44Å; L883-T886 PolarHBondContact O-N 3.17Å; L883-A887 PolarHBondContact O-N 3.48Å; L883-V924 HydrophobicContact CD2-CG1 4.43Å; L883-V948 HydrophobicContact CD1-CG1 3.76Å; L883-V948 HydrophobicContact CD1-CG2 4.15Å; L883-L951 HydrophobicContact CD2-CD2 3.67Å
884I96.8Very high96.7Very high36 Ų3655.1 Ų55.119%0.18527%0.266CS..Hα-helixtrans-60-41.4177.4-71.2156000111.3G880 K881 S882 A887 H888 L921 V924 V925G880-I884 WeakPolarHBondContact O-CB 3.39Å; G880-I884 VanDerWaalsContact O-CD1 3.31Å; G880-I884 WeakPolarHBondContact O-CD1 3.42Å; G880-I884 WeakPolarHBondContact O-CG1 3.46Å; G880-I884 PolarHBondContact O-N 3.18Å; K881-I884 PolarHBondContact O-N 2.88Å; S882-I884 PolarHBondContact O-N 2.89Å; I884-A887 WeakPolarHBondContact O-CA 3.33Å; I884-A887 PolarHBondContact O-N 2.93Å; I884-H888 WeakPolarHBondContact O-CB 3.47Å; I884-H888 PolarHBondContact O-N 3.5Å; I884-L921 HydrophobicContact CB-CD1 4.28Å; I884-L921 HydrophobicContact CG1-CD1 4.13Å; I884-L921 HydrophobicContact CG2-CD1 4.13Å; I884-V924 HydrophobicContact CG1-CG1 4.45Å; I884-V925 HydrophobicContact CD1-CG2 3.61Å; I884-V925 HydrophobicContact CG1-CG2 4.14Å; I884-V925 HydrophobicContact CG2-CG2 4.47Å
885V96.4Very high96.7Very high93 Ų9347.4 Ų47.456%0.56424%0.242SC*.Hα-helixtrans-65.6-37.9177.3168.10000111.9K881 S882 L883K881-V885 WeakPolarHBondContact O-CG2 3.36Å; K881-V885 PolarHBondContact O-N 3.08Å; S882-V885 PolarHBondContact O-N 2.76Å; L883-V885 VanDerWaalsContact C-N 3.32Å; L883-V885 PolarHBondContact O-N 3.44Å
886T96.5Very high96.7Very high13 Ų1345 Ų458%0.0823%0.23CC..Hα-helixtrans-69.6-47.4172.7-61.90000111.5H852 C855 L856 S882 L883 H888 K889H852-T886 WeakPolarHBondContact O-CG2 3.16Å; C855-T886 HydrophobicContact CB-CG2 3.98Å; L856-T886 HydrophobicContact CB-CG2 4.07Å; S882-T886 PolarHBondContact O-N 2.95Å; L883-T886 PolarHBondContact O-N 3.17Å; T886-H888 VanDerWaalsContact C-N 3.28Å; T886-H888 PolarHBondContact O-N 3.36Å; T886-K889 WeakPolarHBondContact O-CB 3.48Å; T886-K889 PolarHBondContact O-N 2.87Å
887A97.1Very high96.7Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-31.5-59.316300000114L856 L883 I884 K889 L890 L951L856-A887 HydrophobicContact CD1-CB 3.68Å; L856-A887 HydrophobicContact CD2-CB 3.6Å; L856-A887 HydrophobicContact CG-CB 4.24Å; L883-A887 PolarHBondContact O-N 3.48Å; I884-A887 WeakPolarHBondContact O-CA 3.33Å; I884-A887 PolarHBondContact O-N 2.93Å; A887-K889 PolarHBondContact O-N 3.12Å; A887-L890 HydrophobicContact CB-CD1 4.43Å; A887-L890 PolarHBondContact O-N 2.91Å; A887-L951 HydrophobicContact CB-CD2 4.22Å
888H96.7Very high96.6Very high102 Ų10244.6 Ų44.647%0.47223%0.229SC..Hα-helixtrans-67.7-19.5-173.2-163-71.9000113.6I884 T886 L890 V891 F892 L921I884-H888 WeakPolarHBondContact O-CB 3.47Å; I884-H888 PolarHBondContact O-N 3.5Å; T886-H888 VanDerWaalsContact C-N 3.28Å; T886-H888 PolarHBondContact O-N 3.36Å; H888-L890 VanDerWaalsContact C-N 3.34Å; H888-V891 PolarHBondContact O-N 3.01Å; H888-F892 WeakPolarHBondContact O-CB 3.26Å; H888-F892 PolarHBondContact O-N 2.97Å; H888-L921 HydrophobicContact CB-CD2 4.23Å
889K97.1Very high96.5Very high84 Ų8449.3 Ų49.337%0.36524%0.236SC..Hα-helixtrans-65.9-38.6174.2-60.6172.2-175165.50111.3H852 T886 A887 F892 I893H852-K889 VanDerWaalsContact CD2-CB 3.41Å; H852-K889 WeakPolarHBondContact CD2-CB 3.49Å; T886-K889 WeakPolarHBondContact O-CB 3.48Å; T886-K889 PolarHBondContact O-N 2.87Å; A887-K889 PolarHBondContact O-N 3.12Å; K889-F892 PolarHBondContact O-N 3.4Å; K889-I893 WeakPolarHBondContact O-CG1 3.17Å; K889-I893 PolarHBondContact O-N 3.49Å
890L97.2Very high96.4Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-68-40.5176.5-65.4174.3000111.6S849 H852 L856 A887 H888 F892 I893 G894 L917 A955S849-L890 WeakPolarHBondContact O-CD2 3.45Å; H852-L890 HydrophobicContact CB-CD2 3.75Å; H852-L890 HydrophobicContact CB-CG 4.12Å; L856-L890 HydrophobicContact CD2-CD1 4.41Å; A887-L890 HydrophobicContact CB-CD1 4.43Å; A887-L890 PolarHBondContact O-N 2.91Å; H888-L890 VanDerWaalsContact C-N 3.34Å; L890-F892 VanDerWaalsContact C-N 3.33Å; L890-F892 PolarHBondContact O-N 2.9Å; L890-I893 PolarHBondContact O-N 2.77Å; L890-G894 PolarHBondContact O-N 2.77Å; L890-L917 HydrophobicContact CB-CD2 3.56Å; L890-A955 HydrophobicContact CD1-CB 3.64Å
891V97.1Very high96.3Very high5 Ų548.2 Ų48.23%0.0324%0.239CC..Hα-helixtrans-60.1-44.3171.8-177.70000110.6H888 I893 G894 D895 L917 C918 L921H888-V891 PolarHBondContact O-N 3.01Å; V891-I893 VanDerWaalsContact C-N 3.33Å; V891-I893 PolarHBondContact O-N 3.04Å; V891-G894 PolarHBondContact O-N 3.07Å; V891-G894 VanDerWaalsContact O-N 3.16Å; V891-D895 WeakPolarHBondContact O-CB 3.18Å; V891-D895 PolarHBondContact O-N 2.97Å; V891-L917 HydrophobicContact CG2-CB 4.34Å; V891-L917 HydrophobicContact CG2-CD2 3.87Å; V891-L917 HydrophobicContact CG2-CG 3.88Å; V891-C918 HydrophobicContact CG1-CB 4.02Å; V891-C918 HydrophobicContact CG2-CB 4.4Å; V891-L921 HydrophobicContact CG2-CD2 4.24Å
892F97.3Very high96.2Very high114 Ų11445.8 Ų45.850%0.524%0.235SC..Hα-helixtrans-63.4-34.2176.7177.1-95.9000113.5H888 K889 L890 T896H888-F892 WeakPolarHBondContact O-CB 3.26Å; H888-F892 PolarHBondContact O-N 2.97Å; K889-F892 PolarHBondContact O-N 3.4Å; L890-F892 VanDerWaalsContact C-N 3.33Å; L890-F892 PolarHBondContact O-N 2.9Å; F892-T896 VanDerWaalsContact O-CB 3.28Å; F892-T896 WeakPolarHBondContact O-CB 3.42Å; F892-T896 PolarHBondContact O-N 2.72Å; F892-T896 PolarHBondContact O-OG1 3.41Å
893I96.9Very high95.9Very high1 Ų144.1 Ų44.11%0.00522%0.224CC..Hα-helixtrans-63.6-48171.1-71.7171.7000110.1Y845 Q848 K889 L890 V891 D895 T896 L897 F958 L962Y845-I893 HydrophobicContact CD1-CB 4.24Å; Y845-I893 HydrophobicContact CD1-CD1 4.26Å; Y845-I893 HydrophobicContact CD1-CG1 3.79Å; Y845-I893 HydrophobicContact CD1-CG2 3.68Å; Y845-I893 HydrophobicContact CE1-CG1 4.13Å; Y845-I893 HydrophobicContact CG-CG2 3.97Å; Q848-I893 HydrophobicContact CB-CD1 4.21Å; Q848-I893 HydrophobicContact CG-CD1 3.95Å; K889-I893 WeakPolarHBondContact O-CG1 3.17Å; K889-I893 PolarHBondContact O-N 3.49Å; L890-I893 PolarHBondContact O-N 2.77Å; V891-I893 VanDerWaalsContact C-N 3.33Å; V891-I893 PolarHBondContact O-N 3.04Å; I893-D895 PolarHBondContact O-N 3.29Å; I893-T896 PolarHBondContact O-N 2.94Å; I893-T896 VanDerWaalsContact O-N 3.1Å; I893-L897 HydrophobicContact CG2-CD1 3.86Å; I893-L897 HydrophobicContact CG2-CG 4.43Å; I893-L897 WeakPolarHBondContact O-CB 3.32Å; I893-L897 WeakPolarHBondContact O-CG 3.4Å; I893-L897 PolarHBondContact O-N 3.32Å; I893-F958 HydrophobicContact CG2-CE1 4.16Å; I893-F958 HydrophobicContact CG2-CZ 4.23Å; I893-L962 HydrophobicContact CG2-CD1 3.91Å
894G96.3Very high95.7Very high1 Ų147.2 Ų47.21%0.0125%0.249CC..Hα-helixtrans-59.6-44.7176.800000113.1L890 V891 T896 S898L890-G894 PolarHBondContact O-N 2.77Å; V891-G894 PolarHBondContact O-N 3.07Å; V891-G894 VanDerWaalsContact O-N 3.16Å; G894-T896 VanDerWaalsContact C-N 3.26Å; G894-T896 PolarHBondContact O-N 3.48Å; G894-S898 WeakPolarHBondContact O-CB 3.49Å; G894-S898 PolarHBondContact O-N 3.43Å; G894-S898 PolarHBondContact O-OG 3.21Å
895D96.7Very high95.4Very high70 Ų7051.2 Ų51.237%0.37427%0.27SS..Hα-helixtrans-61.6-31.8173.6-88.90.4000113.1V891 I893 S898 R899V891-D895 WeakPolarHBondContact O-CB 3.18Å; V891-D895 PolarHBondContact O-N 2.97Å; I893-D895 PolarHBondContact O-N 3.29Å; D895-S898 WeakPolarHBondContact CA-OG 3.46Å; D895-S898 PolarHBondContact O-OG 3.11Å; D895-R899 WeakPolarHBondContact O-CG 3.26Å; D895-R899 PolarHBondContact O-NE 2.91Å; D895-R899 PolarHBondContact O-NH1 3.05Å; D895-R899 VanDerWaalsContact O-NH1 3.09Å; D895-R899 PolarHBondContact O-NH2 3.4Å
896T96.5Very high95.2Very high14 Ų1447.3 Ų47.39%0.08625%0.246CC..Hα-helixtrans-82.1-44.3-178.4-61.80000110.9Y845 F892 I893 G894 S898 R899 L900Y845-T896 HydrophobicContact CE2-CG2 4.33Å; Y845-T896 WeakPolarHBondContact OH-CG2 3.5Å; F892-T896 VanDerWaalsContact O-CB 3.28Å; F892-T896 WeakPolarHBondContact O-CB 3.42Å; F892-T896 PolarHBondContact O-N 2.72Å; F892-T896 PolarHBondContact O-OG1 3.41Å; I893-T896 PolarHBondContact O-N 2.94Å; I893-T896 VanDerWaalsContact O-N 3.1Å; G894-T896 VanDerWaalsContact C-N 3.26Å; G894-T896 PolarHBondContact O-N 3.48Å; T896-S898 VanDerWaalsContact C-N 3.33Å; T896-S898 PolarHBondContact O-N 2.94Å; T896-R899 PolarHBondContact O-N 3.21Å; T896-R899 VanDerWaalsContact O-N 3.16Å; T896-R899 PolarHBondContact OG1-NH2 2.99Å; T896-R899 VanDerWaalsContact OG1-NH2 3.07Å; T896-L900 HydrophobicContact CG2-CD1 3.63Å; T896-L900 HydrophobicContact CG2-CG 4.23Å; T896-L900 WeakPolarHBondContact O-CB 3.31Å; T896-L900 WeakPolarHBondContact O-CG 3.34Å; T896-L900 PolarHBondContact O-N 3.46Å
897L95.9Very high95.1Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-59.9-39.9171.3-74.6171.7000112.4L841 L842 Y845 I893 R899 L900 L901 I910 L962L841-L897 HydrophobicContact CD2-CD2 3.92Å; L841-L897 HydrophobicContact CG-CD2 3.86Å; L842-L897 HydrophobicContact CD2-CD1 4.32Å; L842-L897 HydrophobicContact CD2-CD2 4.29Å; Y845-L897 HydrophobicContact CD2-CD2 3.58Å; Y845-L897 HydrophobicContact CD2-CG 3.98Å; Y845-L897 HydrophobicContact CE2-CD2 4.37Å; Y845-L897 HydrophobicContact CG-CD1 4.4Å; Y845-L897 HydrophobicContact CG-CD2 4.14Å; Y845-L897 HydrophobicContact CG-CG 4.19Å; I893-L897 HydrophobicContact CG2-CD1 3.86Å; I893-L897 HydrophobicContact CG2-CG 4.43Å; I893-L897 WeakPolarHBondContact O-CB 3.32Å; I893-L897 WeakPolarHBondContact O-CG 3.4Å; I893-L897 PolarHBondContact O-N 3.32Å; L897-R899 PolarHBondContact O-N 3.04Å; L897-L900 PolarHBondContact O-N 2.86Å; L897-L901 HydrophobicContact CB-CD1 3.98Å; L897-L901 HydrophobicContact CB-CG 4.48Å; L897-L901 HydrophobicContact CD2-CD1 4.14Å; L897-L901 HydrophobicContact CD2-CD2 4.45Å; L897-L901 HydrophobicContact CD2-CG 4.19Å; L897-L901 WeakPolarHBondContact O-CB 3.41Å; L897-L901 WeakPolarHBondContact O-CG 3.34Å; L897-L901 PolarHBondContact O-N 3.12Å; L897-I910 HydrophobicContact CB-CD1 4.34Å; L897-I910 HydrophobicContact CB-CG2 3.93Å; L897-I910 HydrophobicContact CD1-CD1 4.33Å; L897-I910 HydrophobicContact CD1-CG2 4.45Å; L897-L962 HydrophobicContact CD1-CD1 3.79Å; L897-L962 HydrophobicContact CD1-CD2 3.5Å; L897-L962 HydrophobicContact CD1-CG 4.32Å
898S95.7Very high95.1Very high27 Ų2753.6 Ų53.619%0.18928%0.28CS..Hα-helixtrans-65-20.7177.669.10000114G894 D895 T896 R907 T911G894-S898 WeakPolarHBondContact O-CB 3.49Å; G894-S898 PolarHBondContact O-N 3.43Å; G894-S898 PolarHBondContact O-OG 3.21Å; D895-S898 WeakPolarHBondContact CA-OG 3.46Å; D895-S898 PolarHBondContact O-OG 3.11Å; T896-S898 VanDerWaalsContact C-N 3.33Å; T896-S898 PolarHBondContact O-N 2.94Å; S898-R907 WeakPolarHBondContact O-CD 3.33Å; S898-R907 WeakPolarHBondContact O-CG 3.49Å; S898-T911 VanDerWaalsContact CB-OG1 3.31Å; S898-T911 WeakPolarHBondContact CB-OG1 3.46Å
899R94.8Very high95Very high151 Ų15153.6 Ų53.657%0.5728%0.279SS*.Hα-helixtrans-91.8-33.9173.4-70.2-177.3-68.1-96.70.5114D895 T896 L897D895-R899 WeakPolarHBondContact O-CG 3.26Å; D895-R899 PolarHBondContact O-NE 2.91Å; D895-R899 PolarHBondContact O-NH1 3.05Å; D895-R899 VanDerWaalsContact O-NH1 3.09Å; D895-R899 PolarHBondContact O-NH2 3.4Å; T896-R899 PolarHBondContact O-N 3.21Å; T896-R899 VanDerWaalsContact O-N 3.16Å; T896-R899 PolarHBondContact OG1-NH2 2.99Å; T896-R899 VanDerWaalsContact OG1-NH2 3.07Å; L897-R899 PolarHBondContact O-N 3.04Å
900L94.3Very high94.9Very high97 Ų9749.6 Ų49.651%0.50826%0.261SS..Hα-helixtrans-93-32.4-170.4-69.3-179.1000114.3L841 T896 L897L841-L900 HydrophobicContact CD1-CD1 4.14Å; L841-L900 HydrophobicContact CD2-CB 3.56Å; L841-L900 HydrophobicContact CD2-CD1 4.24Å; T896-L900 HydrophobicContact CG2-CD1 3.63Å; T896-L900 HydrophobicContact CG2-CG 4.23Å; T896-L900 WeakPolarHBondContact O-CB 3.31Å; T896-L900 WeakPolarHBondContact O-CG 3.34Å; T896-L900 PolarHBondContact O-N 3.46Å; L897-L900 PolarHBondContact O-N 2.86Å
901L94.1Very high94.9Very high4 Ų453.3 Ų53.32%0.02128%0.284CS..  trans-67.7138.3-176.6-70.8167000111.9D838 L841 L842 L897 L906 R907 I910D838-L901 HydrophobicContact CB-CD2 3.74Å; L841-L901 HydrophobicContact CD2-CD2 3.91Å; L841-L901 HydrophobicContact CD2-CG 4.18Å; L842-L901 HydrophobicContact CD1-CD2 4.45Å; L842-L901 HydrophobicContact CD2-CD1 4.15Å; L842-L901 HydrophobicContact CG-CD2 4.06Å; L897-L901 HydrophobicContact CB-CD1 3.98Å; L897-L901 HydrophobicContact CB-CG 4.48Å; L897-L901 HydrophobicContact CD2-CD1 4.14Å; L897-L901 HydrophobicContact CD2-CD2 4.45Å; L897-L901 HydrophobicContact CD2-CG 4.19Å; L897-L901 WeakPolarHBondContact O-CB 3.41Å; L897-L901 WeakPolarHBondContact O-CG 3.34Å; L897-L901 PolarHBondContact O-N 3.12Å; L901-L906 HydrophobicContact CD1-CB 4.09Å; L901-R907 HydrophobicContact CB-CG 3.79Å; L901-R907 WeakPolarHBondContact O-CD 3.22Å; L901-R907 PolarHBondContact O-NE 3.36Å; L901-I910 HydrophobicContact CD1-CD1 3.43Å; L901-I910 VanDerWaalsContact CD1-CD1 3.43Å
902T92.9Very high94.8Very high80 Ų8057.1 Ų57.149%0.49131%0.308SS..SBendtrans-75.9-41.8179.460.90000111.3D838 A904 R907D838-T902 WeakPolarHBondContact OD1-CB 3.22Å; D838-T902 PolarHBondContact OD1-N 2.71Å; D838-T902 PolarHBondContact OD1-OG1 2.56Å; D838-T902 PolarHBondContact OD2-N 3.35Å; D838-T902 PolarHBondContact OD2-OG1 2.98Å; T902-A904 PolarHBondContact O-N 3.14Å; T902-R907 PolarHBondContact O-NH2 3.03Å
903S91Very high94.7Very high35 Ų3552.7 Ų52.725%0.24529%0.29CS..  trans-63.3133.5-179.7177.60000112.7D838 D905 L906 R907D838-S903 WeakPolarHBondContact OD2-CB 3.4Å; D838-S903 PolarHBondContact OD2-N 3.06Å; S903-D905 PolarHBondContact OG-N 2.79Å; S903-L906 PolarHBondContact OG-N 2.8Å; S903-R907 VanDerWaalsContact O-CG 3.32Å; S903-R907 WeakPolarHBondContact O-CG 3.33Å; S903-R907 PolarHBondContact O-N 2.78Å; S903-R907 PolarHBondContact O-NE 3.34Å
904A92.1Very high94.7Very high64 Ų6452.8 Ų52.853%0.52929%0.292SS..Hα-helixtrans-69.8-4017600000111.8T902 R907 A908T902-A904 PolarHBondContact O-N 3.14Å; A904-R907 PolarHBondContact O-N 3.46Å; A904-A908 WeakPolarHBondContact O-CB 3.44Å; A904-A908 PolarHBondContact O-N 2.86Å
905D91.7Very high94.7Very high120 Ų12054.6 Ų54.664%0.64231%0.31SS*.Hα-helixtrans-72.5-37.8-175.6-59.5-35.2000112S903 A908 K909S903-D905 PolarHBondContact OG-N 2.79Å; D905-A908 PolarHBondContact O-N 2.79Å; D905-K909 WeakPolarHBondContact O-CB 3.32Å; D905-K909 WeakPolarHBondContact O-CD 3.37Å; D905-K909 VanDerWaalsContact O-CG 3.26Å; D905-K909 WeakPolarHBondContact O-CG 3.13Å; D905-K909 PolarHBondContact O-N 2.8Å
906L92.3Very high94.6Very high11 Ų1158.6 Ų58.66%0.05832%0.32CS..Hα-helixtrans-62.4-47.3172.8-63.6-178.7000110.7L834 D838 L842 L901 S903 A908 K909 I910 L965L834-L906 HydrophobicContact CD1-CD1 4.37Å; L834-L906 HydrophobicContact CD2-CD1 4.02Å; D838-L906 HydrophobicContact CB-CD1 4.29Å; L842-L906 HydrophobicContact CD1-CD1 3.93Å; L901-L906 HydrophobicContact CD1-CB 4.09Å; S903-L906 PolarHBondContact OG-N 2.8Å; L906-A908 PolarHBondContact O-N 3.46Å; L906-K909 PolarHBondContact O-N 3.41Å; L906-I910 WeakPolarHBondContact O-CB 3.34Å; L906-I910 WeakPolarHBondContact O-CG1 3.2Å; L906-I910 PolarHBondContact O-N 3.17Å; L906-L965 HydrophobicContact CD2-CB 4.32Å; L906-L965 HydrophobicContact CD2-CD1 4.14Å; L906-L965 HydrophobicContact CD2-CD2 3.77Å; L906-L965 HydrophobicContact CD2-CG 4.28Å
907R94.6Very high94.7Very high92 Ų9258 Ų5835%0.34732%0.317SS..Hα-helixtrans-59-43.2174.9-74.3-176.8-78.6170-9.4112.3S898 L901 T902 S903 A904 I910 T911S898-R907 WeakPolarHBondContact O-CD 3.33Å; S898-R907 WeakPolarHBondContact O-CG 3.49Å; L901-R907 HydrophobicContact CB-CG 3.79Å; L901-R907 WeakPolarHBondContact O-CD 3.22Å; L901-R907 PolarHBondContact O-NE 3.36Å; T902-R907 PolarHBondContact O-NH2 3.03Å; S903-R907 VanDerWaalsContact O-CG 3.32Å; S903-R907 WeakPolarHBondContact O-CG 3.33Å; S903-R907 PolarHBondContact O-N 2.78Å; S903-R907 PolarHBondContact O-NE 3.34Å; A904-R907 PolarHBondContact O-N 3.46Å; R907-I910 PolarHBondContact O-N 3.05Å; R907-T911 VanDerWaalsContact O-CB 3.24Å; R907-T911 WeakPolarHBondContact O-CB 3.49Å; R907-T911 PolarHBondContact O-N 3.14Å; R907-T911 PolarHBondContact O-OG1 3.25Å
908A95.1Very high94.7Very high53 Ų5359.8 Ų59.844%0.43833%0.328SS..Hα-helixtrans-62.2-45.5178.200000112A904 D905 L906 T912A904-A908 WeakPolarHBondContact O-CB 3.44Å; A904-A908 PolarHBondContact O-N 2.86Å; D905-A908 PolarHBondContact O-N 2.79Å; L906-A908 PolarHBondContact O-N 3.46Å; A908-T912 WeakPolarHBondContact O-CB 3.33Å; A908-T912 PolarHBondContact O-N 3.32Å; A908-T912 PolarHBondContact O-OG1 2.91Å
909K94.7Very high94.8Very high103 Ų10364.1 Ų64.145%0.44835%0.346SS..Hα-helixtrans-62.7-44.5177.7-69.6165.980.1174.40111.7D905 L906 T912 S913D905-K909 WeakPolarHBondContact O-CB 3.32Å; D905-K909 WeakPolarHBondContact O-CD 3.37Å; D905-K909 VanDerWaalsContact O-CG 3.26Å; D905-K909 WeakPolarHBondContact O-CG 3.13Å; D905-K909 PolarHBondContact O-N 2.8Å; L906-K909 PolarHBondContact O-N 3.41Å; K909-T912 PolarHBondContact O-N 2.87Å; K909-S913 PolarHBondContact O-N 3.1Å; K909-S913 PolarHBondContact O-OG 3.3Å
910I96.1Very high95Very high0 Ų057.5 Ų57.50%032%0.322CS..Hα-helixtrans-74.5-35.9-178-69163.3000112.4L842 L897 L901 L906 R907 T912 S913 G914 F958 L962 L965L842-I910 HydrophobicContact CD2-CD1 3.75Å; L897-I910 HydrophobicContact CB-CD1 4.34Å; L897-I910 HydrophobicContact CB-CG2 3.93Å; L897-I910 HydrophobicContact CD1-CD1 4.33Å; L897-I910 HydrophobicContact CD1-CG2 4.45Å; L901-I910 HydrophobicContact CD1-CD1 3.43Å; L901-I910 VanDerWaalsContact CD1-CD1 3.43Å; L906-I910 WeakPolarHBondContact O-CB 3.34Å; L906-I910 WeakPolarHBondContact O-CG1 3.2Å; L906-I910 PolarHBondContact O-N 3.17Å; R907-I910 PolarHBondContact O-N 3.05Å; I910-T912 VanDerWaalsContact C-N 3.29Å; I910-T912 PolarHBondContact O-N 2.86Å; I910-S913 WeakPolarHBondContact CA-OG 3.3Å; I910-S913 PolarHBondContact O-N 2.93Å; I910-S913 PolarHBondContact O-OG 3.1Å; I910-G914 PolarHBondContact O-N 3Å; I910-F958 HydrophobicContact CG2-CE2 4.35Å; I910-L962 HydrophobicContact CD1-CD2 3.9Å; I910-L962 HydrophobicContact CG1-CD2 3.96Å; I910-L965 HydrophobicContact CD1-CD1 3.89Å; I910-L965 HydrophobicContact CG1-CD1 3.91Å
911T96Very high95.1Very high78 Ų7853.5 Ų53.548%0.47930%0.301SS..Hα-helixtrans-63.6-38.7172-54.70000110.6S898 R907 G915S898-T911 VanDerWaalsContact CB-OG1 3.31Å; S898-T911 WeakPolarHBondContact CB-OG1 3.46Å; R907-T911 VanDerWaalsContact O-CB 3.24Å; R907-T911 WeakPolarHBondContact O-CB 3.49Å; R907-T911 PolarHBondContact O-N 3.14Å; R907-T911 PolarHBondContact O-OG1 3.25Å; T911-G915 PolarHBondContact O-N 3.43Å
912T96.1Very high95.3Very high85 Ų8558.5 Ų58.552%0.52132%0.323SS..Hα-helixtrans-67.4-44.2178-56.70000112.1A908 K909 I910 R916A908-T912 WeakPolarHBondContact O-CB 3.33Å; A908-T912 PolarHBondContact O-N 3.32Å; A908-T912 PolarHBondContact O-OG1 2.91Å; K909-T912 PolarHBondContact O-N 2.87Å; I910-T912 VanDerWaalsContact C-N 3.29Å; I910-T912 PolarHBondContact O-N 2.86Å; T912-R916 WeakPolarHBondContact O-CG 3.47Å; T912-R916 PolarHBondContact O-N 3.38Å; T912-R916 VanDerWaalsContact O-N 3.15Å
913S95.7Very high95.5Very high20 Ų2056.2 Ų56.214%0.1431%0.312CS..Hα-helixtrans-72.4-43178.6590000112.7K909 I910 G915 R916 L917 F958K909-S913 PolarHBondContact O-N 3.1Å; K909-S913 PolarHBondContact O-OG 3.3Å; I910-S913 WeakPolarHBondContact CA-OG 3.3Å; I910-S913 PolarHBondContact O-N 2.93Å; I910-S913 PolarHBondContact O-OG 3.1Å; S913-G915 VanDerWaalsContact C-N 3.31Å; S913-G915 PolarHBondContact O-N 3.08Å; S913-R916 PolarHBondContact O-N 3Å; S913-L917 PolarHBondContact O-N 3.24Å; S913-F958 WeakPolarHBondContact OG-CD2 3.48Å
914G96.1Very high95.9Very high3 Ų354.6 Ų54.63%0.03130%0.301CS..Hα-helixtrans-61.3-38173.300000112.6I910 L917 C918I910-G914 PolarHBondContact O-N 3Å; G914-L917 PolarHBondContact O-N 3.15Å; G914-C918 VanDerWaalsContact O-CB 3.31Å; G914-C918 WeakPolarHBondContact O-CB 3.5Å; G914-C918 PolarHBondContact O-N 3.47Å
915G95.9Very high96.2Very high39 Ų3954.9 Ų54.940%0.40230%0.296SS..Hα-helixtrans-62.5-42.2173.600000113.4T911 S913 C918 Q919T911-G915 PolarHBondContact O-N 3.43Å; S913-G915 VanDerWaalsContact C-N 3.31Å; S913-G915 PolarHBondContact O-N 3.08Å; G915-C918 PolarHBondContact O-N 3.35Å; G915-Q919 PolarHBondContact O-N 3.13Å
916R95.9Very high96.5Very high155 Ų15554.2 Ų54.259%0.58530%0.296SS*.Hα-helixtrans-62.2-47.9172.9-72.6176.9-178.7-146.8-0.3111.6T912 S913 C918 Q919 V920T912-R916 WeakPolarHBondContact O-CG 3.47Å; T912-R916 PolarHBondContact O-N 3.38Å; T912-R916 VanDerWaalsContact O-N 3.15Å; S913-R916 PolarHBondContact O-N 3Å; R916-C918 VanDerWaalsContact C-N 3.32Å; R916-C918 PolarHBondContact O-N 3.4Å; R916-Q919 WeakPolarHBondContact O-CB 3.2Å; R916-Q919 PolarHBondContact O-N 3.43Å; R916-V920 PolarHBondContact O-N 3.25Å
917L97Very high96.7Very high1 Ų154.5 Ų54.51%0.00530%0.3CS..Hα-helixtrans-59.4-43.3178.2-173.466.1000111.7L890 V891 S913 G914 Q919 V920 L921 L951 Q954 A955L890-L917 HydrophobicContact CB-CD2 3.56Å; V891-L917 HydrophobicContact CG2-CB 4.34Å; V891-L917 HydrophobicContact CG2-CD2 3.87Å; V891-L917 HydrophobicContact CG2-CG 3.88Å; S913-L917 PolarHBondContact O-N 3.24Å; G914-L917 PolarHBondContact O-N 3.15Å; L917-Q919 VanDerWaalsContact C-N 3.29Å; L917-Q919 PolarHBondContact O-N 3.44Å; L917-V920 PolarHBondContact O-N 3.4Å; L917-L921 VanDerWaalsContact O-CB 3.29Å; L917-L921 WeakPolarHBondContact O-CB 3.4Å; L917-L921 PolarHBondContact O-N 2.96Å; L917-L951 HydrophobicContact CD1-CD1 3.79Å; L917-Q954 HydrophobicContact CD1-CB 4.01Å; L917-A955 HydrophobicContact CD1-CB 4.01Å
918C97.3Very high96.8Very high37 Ų3750.4 Ų50.425%0.2529%0.285CS..Hα-helixtrans-61.6-34.3173.8-174.90000112.7V891 G914 G915 R916 K922V891-C918 HydrophobicContact CG1-CB 4.02Å; V891-C918 HydrophobicContact CG2-CB 4.4Å; G914-C918 VanDerWaalsContact O-CB 3.31Å; G914-C918 WeakPolarHBondContact O-CB 3.5Å; G914-C918 PolarHBondContact O-N 3.47Å; G915-C918 PolarHBondContact O-N 3.35Å; R916-C918 VanDerWaalsContact C-N 3.32Å; R916-C918 PolarHBondContact O-N 3.4Å; C918-K922 WeakPolarHBondContact O-CE 3.4Å; C918-K922 WeakPolarHBondContact O-CG 3.4Å; C918-K922 PolarHBondContact O-N 2.96Å; C918-K922 WeakPolarHBondContact SG-CE 3.46Å
919Q97.6Very high96.9Very high118 Ų11853.9 Ų53.955%0.55129%0.29SS*.Hα-helixtrans-73.2-44.7178.4-173.161.113.700112.3G915 R916 L917 L921 K922 A923G915-Q919 PolarHBondContact O-N 3.13Å; R916-Q919 WeakPolarHBondContact O-CB 3.2Å; R916-Q919 PolarHBondContact O-N 3.43Å; L917-Q919 VanDerWaalsContact C-N 3.29Å; L917-Q919 PolarHBondContact O-N 3.44Å; Q919-L921 VanDerWaalsContact C-N 3.31Å; Q919-L921 PolarHBondContact O-N 2.95Å; Q919-K922 WeakPolarHBondContact O-CB 3.39Å; Q919-K922 PolarHBondContact O-N 3.38Å; Q919-A923 PolarHBondContact O-N 3.01Å; Q919-A923 VanDerWaalsContact O-N 3.1Å
920V97.8Very high97.1Very high13 Ų1350 Ų508%0.07928%0.28CS..Hα-helixtrans-66.6-35.1175.6-175.50000111R916 L917 K922 A923 V924 E950 L951 Q954R916-V920 PolarHBondContact O-N 3.25Å; L917-V920 PolarHBondContact O-N 3.4Å; V920-K922 VanDerWaalsContact C-N 3.27Å; V920-K922 PolarHBondContact O-N 2.85Å; V920-A923 WeakPolarHBondContact O-CA 3.48Å; V920-A923 WeakPolarHBondContact O-CB 3.23Å; V920-A923 PolarHBondContact O-N 3.38Å; V920-V924 PolarHBondContact O-N 3.06Å; V920-E950 HydrophobicContact CG1-CB 4.07Å; V920-E950 HydrophobicContact CG1-CG 3.86Å; V920-E950 HydrophobicContact CG2-CG 4.32Å; V920-E950 WeakPolarHBondContact CG2-OE1 3.49Å; V920-L951 HydrophobicContact CB-CD1 4.33Å; V920-L951 HydrophobicContact CG1-CB 3.92Å; V920-L951 HydrophobicContact CG1-CD1 4.3Å; V920-Q954 HydrophobicContact CG2-CG 3.9Å
921L97.7Very high97.1Very high12 Ų1250.1 Ų50.16%0.06328%0.28CS..Hα-helixtrans-59.5-36.3173.4-171.763.1000112.5I884 H888 V891 L917 Q919 V925 L951I884-L921 HydrophobicContact CB-CD1 4.28Å; I884-L921 HydrophobicContact CG1-CD1 4.13Å; I884-L921 HydrophobicContact CG2-CD1 4.13Å; H888-L921 HydrophobicContact CB-CD2 4.23Å; V891-L921 HydrophobicContact CG2-CD2 4.24Å; L917-L921 VanDerWaalsContact O-CB 3.29Å; L917-L921 WeakPolarHBondContact O-CB 3.4Å; L917-L921 PolarHBondContact O-N 2.96Å; Q919-L921 VanDerWaalsContact C-N 3.31Å; Q919-L921 PolarHBondContact O-N 2.95Å; L921-V925 WeakPolarHBondContact O-CG2 3.38Å; L921-V925 PolarHBondContact O-N 2.67Å; L921-V925 VanDerWaalsContact O-N 3.15Å; L921-L951 HydrophobicContact CB-CD1 3.99Å; L921-L951 HydrophobicContact CD1-CD1 4.16Å; L921-L951 HydrophobicContact CD1-CD2 3.87Å
922K97.9Very high97.2Very high109 Ų10947.9 Ų47.947%0.47427%0.27SS..Hα-helixtrans-69.9-37.9172-65.3161.4-162.4160.80111.9C918 Q919 V920 V924 V925 V926C918-K922 WeakPolarHBondContact O-CE 3.4Å; C918-K922 WeakPolarHBondContact O-CG 3.4Å; C918-K922 PolarHBondContact O-N 2.96Å; C918-K922 WeakPolarHBondContact SG-CE 3.46Å; Q919-K922 WeakPolarHBondContact O-CB 3.39Å; Q919-K922 PolarHBondContact O-N 3.38Å; V920-K922 VanDerWaalsContact C-N 3.27Å; V920-K922 PolarHBondContact O-N 2.85Å; K922-V924 VanDerWaalsContact C-N 3.35Å; K922-V925 PolarHBondContact O-N 3.11Å; K922-V926 WeakPolarHBondContact O-CG2 3.32Å; K922-V926 PolarHBondContact O-N 3.4Å
923A97.9Very high97.2Very high32 Ų3249.9 Ų49.926%0.26427%0.274SS..Hα-helixtrans-62-42.1175.600000111.5Q919 V920 V926 A927 R947Q919-A923 PolarHBondContact O-N 3.01Å; Q919-A923 VanDerWaalsContact O-N 3.1Å; V920-A923 WeakPolarHBondContact O-CA 3.48Å; V920-A923 WeakPolarHBondContact O-CB 3.23Å; V920-A923 PolarHBondContact O-N 3.38Å; A923-V926 PolarHBondContact O-N 2.89Å; A923-A927 WeakPolarHBondContact O-CB 3.31Å; A923-A927 PolarHBondContact O-N 3.35Å; A923-R947 HydrophobicContact CB-CG 4.38Å
924V98Very high97.3Very high1 Ų153.7 Ų53.71%0.00629%0.292CS..Hα-helixtrans-58.1-48.4171.11720000111.3L883 I884 V920 K922 V926 A927 T928 R947 V948 L951L883-V924 HydrophobicContact CD2-CG1 4.43Å; I884-V924 HydrophobicContact CG1-CG1 4.45Å; V920-V924 PolarHBondContact O-N 3.06Å; K922-V924 VanDerWaalsContact C-N 3.35Å; V924-V926 VanDerWaalsContact C-N 3.28Å; V924-V926 PolarHBondContact O-N 2.94Å; V924-A927 PolarHBondContact O-N 3.29Å; V924-T928 WeakPolarHBondContact O-CB 3.37Å; V924-T928 PolarHBondContact O-N 2.92Å; V924-T928 PolarHBondContact O-OG1 3.22Å; V924-T928 VanDerWaalsContact O-OG1 3.08Å; V924-R947 VanDerWaalsContact CG2-C 3.49Å; V924-R947 HydrophobicContact CG2-CB 3.72Å; V924-R947 WeakPolarHBondContact CG2-O 3.43Å; V924-V948 HydrophobicContact CG1-CG2 3.81Å; V924-V948 HydrophobicContact CG2-CG2 4.05Å; V924-L951 HydrophobicContact CG2-CB 4.05Å; V924-L951 HydrophobicContact CG2-CD2 4.17Å
925V98.2Very high97.2Very high71 Ų7157.7 Ų57.743%0.4331%0.307SS..Hα-helixtrans-56.5-41.6177171.30000112I884 L921 K922 K929I884-V925 HydrophobicContact CD1-CG2 3.61Å; I884-V925 HydrophobicContact CG1-CG2 4.14Å; I884-V925 HydrophobicContact CG2-CG2 4.47Å; L921-V925 WeakPolarHBondContact O-CG2 3.38Å; L921-V925 PolarHBondContact O-N 2.67Å; L921-V925 VanDerWaalsContact O-N 3.15Å; K922-V925 PolarHBondContact O-N 3.11Å; V925-K929 WeakPolarHBondContact O-CB 3.43Å; V925-K929 PolarHBondContact O-N 2.65Å; V925-K929 VanDerWaalsContact O-N 3.14Å
926V98.1Very high97.1Very high105 Ų10561.2 Ų61.264%0.63632%0.323SS*.Hα-helixtrans-69.7-44178173.40000111.4K922 A923 V924 K929 G930K922-V926 WeakPolarHBondContact O-CG2 3.32Å; K922-V926 PolarHBondContact O-N 3.4Å; A923-V926 PolarHBondContact O-N 2.89Å; V924-V926 VanDerWaalsContact C-N 3.28Å; V924-V926 PolarHBondContact O-N 2.94Å; V926-K929 WeakPolarHBondContact O-CB 3.38Å; V926-K929 PolarHBondContact O-N 2.98Å; V926-G930 PolarHBondContact O-N 2.76Å
927A97.4Very high97.1Very high17 Ų1755.6 Ų55.614%0.1431%0.307CS..Hα-helixtrans-68.6-41.6179.800000112.3A923 V924 K929 G930 A931 M944 R947A923-A927 WeakPolarHBondContact O-CB 3.31Å; A923-A927 PolarHBondContact O-N 3.35Å; V924-A927 PolarHBondContact O-N 3.29Å; A927-K929 VanDerWaalsContact C-N 3.25Å; A927-K929 PolarHBondContact O-N 3.32Å; A927-G930 WeakPolarHBondContact O-CA 3.24Å; A927-G930 PolarHBondContact O-N 3.5Å; A927-A931 WeakPolarHBondContact O-CB 3.29Å; A927-A931 PolarHBondContact O-N 2.87Å; A927-M944 HydrophobicContact CB-CB 4.17Å; A927-R947 HydrophobicContact CB-CB 4.42Å; A927-R947 HydrophobicContact CB-CG 3.87Å
928T97.1Very high96.9Very high6 Ų660.7 Ų60.74%0.03734%0.338CS..Hα-helixtrans-60.2-35.1171.3-59.80000112.2V877 V924 A932 M944V877-T928 HydrophobicContact CB-CG2 4.42Å; V877-T928 HydrophobicContact CG1-CG2 4.36Å; V877-T928 HydrophobicContact CG2-CG2 3.98Å; V924-T928 WeakPolarHBondContact O-CB 3.37Å; V924-T928 PolarHBondContact O-N 2.92Å; V924-T928 PolarHBondContact O-OG1 3.22Å; V924-T928 VanDerWaalsContact O-OG1 3.08Å; T928-A932 VanDerWaalsContact O-CB 3.29Å; T928-A932 WeakPolarHBondContact O-CB 3.44Å; T928-A932 PolarHBondContact O-N 2.83Å; T928-A932 VanDerWaalsContact O-N 3.12Å; T928-M944 VanDerWaalsContact CA-SD 3.5Å; T928-M944 HydrophobicContact CG2-SD 3.83Å; T928-M944 WeakPolarHBondContact OG1-CG 3.27Å; T928-M944 PolarHBondContact OG1-SD 3.21Å
929K97.5Very high96.9Very high126 Ų12663.2 Ų63.255%0.54835%0.353SS..Hα-helixtrans-67.5-44.3171.6-169.7-163.2177.4-123.80111.1V925 V926 A927 A932 Q933V925-K929 WeakPolarHBondContact O-CB 3.43Å; V925-K929 PolarHBondContact O-N 2.65Å; V925-K929 VanDerWaalsContact O-N 3.14Å; V926-K929 WeakPolarHBondContact O-CB 3.38Å; V926-K929 PolarHBondContact O-N 2.98Å; A927-K929 VanDerWaalsContact C-N 3.25Å; A927-K929 PolarHBondContact O-N 3.32Å; K929-A932 PolarHBondContact O-N 2.85Å; K929-Q933 HydrophobicContact CG-CG 4.43Å; K929-Q933 WeakPolarHBondContact O-CB 3.41Å; K929-Q933 VanDerWaalsContact O-CG 3.31Å; K929-Q933 WeakPolarHBondContact O-CG 3.33Å; K929-Q933 PolarHBondContact O-N 2.93Å
930G97Very high96.8Very high23 Ų2357.8 Ų57.824%0.23733%0.329CS..Hα-helixtrans-58.2-52.4175.900000112.6V926 A927 A932 Q933 N934V926-G930 PolarHBondContact O-N 2.76Å; A927-G930 WeakPolarHBondContact O-CA 3.24Å; A927-G930 PolarHBondContact O-N 3.5Å; G930-A932 VanDerWaalsContact C-N 3.26Å; G930-A932 PolarHBondContact O-N 2.86Å; G930-Q933 PolarHBondContact O-N 3.33Å; G930-Q933 VanDerWaalsContact O-N 3.09Å; G930-N934 WeakPolarHBondContact O-CB 3.3Å; G930-N934 PolarHBondContact O-N 2.91Å
931A97.2Very high96.7Very high1 Ų158.2 Ų58.21%0.00833%0.331CS..Hα-helixtrans-53.4-40.7173.800000112.8F876 A927 Y935 A940 T941 M944F876-A931 HydrophobicContact CE2-CB 3.97Å; F876-A931 HydrophobicContact CZ-CB 4.13Å; A927-A931 WeakPolarHBondContact O-CB 3.29Å; A927-A931 PolarHBondContact O-N 2.87Å; A931-Y935 WeakPolarHBondContact O-CB 3.1Å; A931-Y935 PolarHBondContact O-N 2.85Å; A931-A940 WeakPolarHBondContact CB-O 3.48Å; A931-T941 HydrophobicContact CB-CG2 4.11Å; A931-M944 HydrophobicContact CB-CB 4.17Å; A931-M944 HydrophobicContact CB-SD 4.12Å
932A97.4Very high96.7Very high32 Ų3262.4 Ų62.426%0.26435%0.351SS..Hα-helixtrans-74.7-30.2177.900000114.1P873 F876 V877 T928 K929 G930P873-A932 HydrophobicContact CB-CB 3.9Å; P873-A932 HydrophobicContact CG-CB 4.46Å; F876-A932 HydrophobicContact CE2-CB 4.27Å; F876-A932 HydrophobicContact CZ-CB 4.33Å; V877-A932 HydrophobicContact CG2-CB 3.68Å; T928-A932 VanDerWaalsContact O-CB 3.29Å; T928-A932 WeakPolarHBondContact O-CB 3.44Å; T928-A932 PolarHBondContact O-N 2.83Å; T928-A932 VanDerWaalsContact O-N 3.12Å; K929-A932 PolarHBondContact O-N 2.85Å; G930-A932 VanDerWaalsContact C-N 3.26Å; G930-A932 PolarHBondContact O-N 2.86Å
933Q97.4Very high96.6Very high127 Ų12762.2 Ų62.259%0.59335%0.351SS*.Hα-helixtrans-79.6-33.3177.3-73.2-170.7-102.500112.5K929 G930K929-Q933 HydrophobicContact CG-CG 4.43Å; K929-Q933 WeakPolarHBondContact O-CB 3.41Å; K929-Q933 VanDerWaalsContact O-CG 3.31Å; K929-Q933 WeakPolarHBondContact O-CG 3.33Å; K929-Q933 PolarHBondContact O-N 2.93Å; G930-Q933 PolarHBondContact O-N 3.33Å; G930-Q933 VanDerWaalsContact O-N 3.09Å
934N96.4Very high96.6Very high100 Ų10060.7 Ų60.754%0.53534%0.339SS..SBendtrans-98.512.2-176.3-60.6-9.7000112.7G930 P936 S937 A940G930-N934 WeakPolarHBondContact O-CB 3.3Å; G930-N934 PolarHBondContact O-N 2.91Å; N934-P936 CarbonylContact O-C 3.58Å; N934-S937 WeakPolarHBondContact O-CB 3.37Å; N934-S937 PolarHBondContact O-N 2.87Å; N934-A940 HydrophobicContact CB-CB 4.02Å
935Y95.6Very high96.6Very high87 Ų8761.1 Ų61.134%0.34134%0.341SS..  trans-69.5135.1-176.2-177.6-86.2000112.2N870 Q871 P873 F876 A931N870-Y935 PolarHBondContact O-OH 3.4Å; N870-Y935 VanDerWaalsContact O-OH 3.12Å; Q871-Y935 WeakPolarHBondContact O-CE2 3.42Å; P873-Y935 HydrophobicContact CG-CD1 4.03Å; P873-Y935 HydrophobicContact CG-CD2 3.84Å; P873-Y935 HydrophobicContact CG-CG 3.53Å; F876-Y935 AromaticContact CE1-CD2 3.81Å; F876-Y935 HydrophobicContact CE1-CD2 3.81Å; F876-Y935 HydrophobicContact CE1-CE2 4.12Å; F876-Y935 HydrophobicContact CZ-CD2 4.37Å; A931-Y935 WeakPolarHBondContact O-CB 3.1Å; A931-Y935 PolarHBondContact O-N 2.85Å
936P92.8Very high96.6Very high112 Ų11260.5 Ų60.573%0.72734%0.335SS*.SBendcis-86.7116.3-2.532.8-31.5000112.1N934N934-P936 CarbonylContact O-C 3.58Å
937S95.5Very high96.6Very high38 Ų3859.1 Ų59.127%0.26632%0.318SS..  trans-137.3111.4172.4172.30000108.9N934 T939 A940 T941N934-S937 WeakPolarHBondContact O-CB 3.37Å; N934-S937 PolarHBondContact O-N 2.87Å; S937-T939 VanDerWaalsContact C-N 3.3Å; S937-T939 PolarHBondContact O-N 3.45Å; S937-A940 PolarHBondContact O-N 3.37Å; S937-A940 PolarHBondContact OG-N 3.24Å; S937-T941 PolarHBondContact O-N 2.93Å; S937-T941 PolarHBondContact O-OG1 3.18Å
938T93.7Very high96.6Very high107 Ų10758.3 Ų58.366%0.65631%0.311SS*.Hα-helixtrans-61.5-39.1179.647.60000111.7T941 Q942T938-T941 VanDerWaalsContact CA-OG1 3.32Å; T938-T941 WeakPolarHBondContact CA-OG1 3.35Å; T938-T941 PolarHBondContact O-N 2.87Å; T938-T941 PolarHBondContact O-OG1 2.66Å; T938-Q942 WeakPolarHBondContact O-CB 3.38Å; T938-Q942 PolarHBondContact O-N 3.37Å
939T96.1Very high96.6Very high90 Ų9062.1 Ų62.155%0.55234%0.335SS*.Hα-helixtrans-59.5-49173.9-44.50000111.7S937 T941 Q942 E943S937-T939 VanDerWaalsContact C-N 3.3Å; S937-T939 PolarHBondContact O-N 3.45Å; T939-T941 VanDerWaalsContact C-N 3.33Å; T939-T941 PolarHBondContact O-N 2.76Å; T939-Q942 PolarHBondContact O-N 3.4Å; T939-Q942 VanDerWaalsContact O-N 3.15Å; T939-E943 WeakPolarHBondContact O-CG 3.06Å; T939-E943 PolarHBondContact O-N 2.89Å
940A96.4Very high96.6Very high5 Ų559.3 Ų59.34%0.04132%0.324CS..Hα-helixtrans-67.5-32.7-179.100000112.5A931 N934 S937 M944A931-A940 WeakPolarHBondContact CB-O 3.48Å; N934-A940 HydrophobicContact CB-CB 4.02Å; S937-A940 PolarHBondContact O-N 3.37Å; S937-A940 PolarHBondContact OG-N 3.24Å; A940-M944 PolarHBondContact O-N 2.99Å
941T96.1Very high96.7Very high22 Ų2258.2 Ų58.214%0.13531%0.312CS..Hα-helixtrans-71-36.3170.546.10000112.7V867 A931 S937 T938 T939 M944 M945V867-T941 HydrophobicContact CG1-CG2 4.35Å; A931-T941 HydrophobicContact CB-CG2 4.11Å; S937-T941 PolarHBondContact O-N 2.93Å; S937-T941 PolarHBondContact O-OG1 3.18Å; T938-T941 VanDerWaalsContact CA-OG1 3.32Å; T938-T941 WeakPolarHBondContact CA-OG1 3.35Å; T938-T941 PolarHBondContact O-N 2.87Å; T938-T941 PolarHBondContact O-OG1 2.66Å; T939-T941 VanDerWaalsContact C-N 3.33Å; T939-T941 PolarHBondContact O-N 2.76Å; T941-M944 WeakPolarHBondContact O-CB 3.44Å; T941-M944 PolarHBondContact O-N 3.48Å; T941-M945 WeakPolarHBondContact O-CG 3.45Å; T941-M945 PolarHBondContact O-N 2.77Å; T941-M945 VanDerWaalsContact O-N 3.12Å
942Q96.4Very high96.7Very high100 Ų10062.7 Ų62.747%0.46733%0.33SS..Hα-helixtrans-64.8-47.2175.3-173.860.647.800110.9T938 T939 M944 M945 D946T938-Q942 WeakPolarHBondContact O-CB 3.38Å; T938-Q942 PolarHBondContact O-N 3.37Å; T939-Q942 PolarHBondContact O-N 3.4Å; T939-Q942 VanDerWaalsContact O-N 3.15Å; Q942-M944 PolarHBondContact O-N 3.1Å; Q942-M944 VanDerWaalsContact O-N 3.16Å; Q942-M945 CarbonylContact O-C 3.59Å; Q942-M945 WeakPolarHBondContact O-CA 3.47Å; Q942-M945 PolarHBondContact O-N 3.18Å; Q942-D946 PolarHBondContact NE2-OD1 3.43Å; Q942-D946 PolarHBondContact O-N 2.98Å
943E96.8Very high96.7Very high105 Ų10567.5 Ų67.549%0.49135%0.347SS..Hα-helixtrans-55.6-34.5175.6-75178.7-170.900112.7T939 R947T939-E943 WeakPolarHBondContact O-CG 3.06Å; T939-E943 PolarHBondContact O-N 2.89Å; E943-R947 WeakPolarHBondContact O-CG 3.43Å; E943-R947 PolarHBondContact O-N 3.29Å; E943-R947 PolarHBondContact O-NH1 3.42Å; E943-R947 VanDerWaalsContact O-NH1 3.16Å
944M97.7Very high96.7Very high0 Ų064.2 Ų64.20%033%0.331CS..Hα-helixtrans-65.3-47.1172175.6-174.27000111.7L863 V867 F876 A927 T928 A931 A940 T941 Q942 D946 R947 V948L863-M944 HydrophobicContact CD1-CE 4.32Å; V867-M944 HydrophobicContact CG2-CE 3.45Å; V867-M944 VanDerWaalsContact CG2-CE 3.45Å; F876-M944 HydrophobicContact CD2-CE 3.96Å; F876-M944 HydrophobicContact CD2-SD 4.06Å; F876-M944 HydrophobicContact CE2-CE 4.31Å; F876-M944 HydrophobicContact CE2-SD 4.19Å; A927-M944 HydrophobicContact CB-CB 4.17Å; T928-M944 VanDerWaalsContact CA-SD 3.5Å; T928-M944 HydrophobicContact CG2-SD 3.83Å; T928-M944 WeakPolarHBondContact OG1-CG 3.27Å; T928-M944 PolarHBondContact OG1-SD 3.21Å; A931-M944 HydrophobicContact CB-CB 4.17Å; A931-M944 HydrophobicContact CB-SD 4.12Å; A940-M944 PolarHBondContact O-N 2.99Å; T941-M944 WeakPolarHBondContact O-CB 3.44Å; T941-M944 PolarHBondContact O-N 3.48Å; Q942-M944 PolarHBondContact O-N 3.1Å; Q942-M944 VanDerWaalsContact O-N 3.16Å; M944-D946 VanDerWaalsContact C-N 3.33Å; M944-D946 PolarHBondContact O-N 3.29Å; M944-R947 PolarHBondContact O-N 3.22Å; M944-V948 WeakPolarHBondContact O-CG2 3.45Å; M944-V948 PolarHBondContact O-N 3.27Å
945M97.6Very high96.8Very high10 Ų1059.4 Ų59.45%0.04931%0.306CS..Hα-helixtrans-68.2-32.8180-61.1-50-70.600112.2L863 D864 V867 T941 Q942 R947 V948 T949L863-M945 HydrophobicContact CD2-CE 4.44Å; L863-M945 HydrophobicContact CD2-SD 3.98Å; L863-M945 HydrophobicContact CG-CE 4.29Å; L863-M945 HydrophobicContact CG-SD 4Å; D864-M945 HydrophobicContact CB-CE 3.61Å; D864-M945 WeakPolarHBondContact OD1-CE 3.33Å; V867-M945 HydrophobicContact CG1-CG 4.25Å; V867-M945 HydrophobicContact CG2-CG 4.44Å; V867-M945 HydrophobicContact CG2-SD 3.93Å; T941-M945 WeakPolarHBondContact O-CG 3.45Å; T941-M945 PolarHBondContact O-N 2.77Å; T941-M945 VanDerWaalsContact O-N 3.12Å; Q942-M945 CarbonylContact O-C 3.59Å; Q942-M945 WeakPolarHBondContact O-CA 3.47Å; Q942-M945 PolarHBondContact O-N 3.18Å; M945-R947 PolarHBondContact O-N 3.05Å; M945-V948 WeakPolarHBondContact O-CB 3.2Å; M945-V948 PolarHBondContact O-N 3.22Å; M945-V948 VanDerWaalsContact O-N 3.09Å; M945-T949 PolarHBondContact O-N 2.81Å; M945-T949 PolarHBondContact O-OG1 3.21Å
946D97.8Very high96.9Very high57 Ų5756.5 Ų56.531%0.30530%0.3SS..Hα-helixtrans-63.2-39.1172.4-60.3-17.9000112.1Q942 M944 V948 T949 E950Q942-D946 PolarHBondContact NE2-OD1 3.43Å; Q942-D946 PolarHBondContact O-N 2.98Å; M944-D946 VanDerWaalsContact C-N 3.33Å; M944-D946 PolarHBondContact O-N 3.29Å; D946-V948 VanDerWaalsContact C-N 3.31Å; D946-T949 PolarHBondContact O-OG1 3.36Å; D946-T949 VanDerWaalsContact O-OG1 3.07Å; D946-E950 WeakPolarHBondContact O-CB 3.35Å; D946-E950 PolarHBondContact O-N 3.36Å; D946-E950 VanDerWaalsContact O-N 3.13Å
947R97.9Very high97.1Very high76 Ų7652.9 Ų52.929%0.28728%0.283SS..Hα-helixtrans-70.9-28.6172.6-60.9-56.673.866.2-7.2112A923 V924 A927 E943 M944 M945 E950 L951A923-R947 HydrophobicContact CB-CG 4.38Å; V924-R947 VanDerWaalsContact CG2-C 3.49Å; V924-R947 HydrophobicContact CG2-CB 3.72Å; V924-R947 WeakPolarHBondContact CG2-O 3.43Å; A927-R947 HydrophobicContact CB-CB 4.42Å; A927-R947 HydrophobicContact CB-CG 3.87Å; E943-R947 WeakPolarHBondContact O-CG 3.43Å; E943-R947 PolarHBondContact O-N 3.29Å; E943-R947 PolarHBondContact O-NH1 3.42Å; E943-R947 VanDerWaalsContact O-NH1 3.16Å; M944-R947 PolarHBondContact O-N 3.22Å; M945-R947 PolarHBondContact O-N 3.05Å; R947-E950 IonicContact CZ-OE2 3.39Å; R947-E950 IonicContact NE-OE2 3.55Å; R947-E950 PolarHBondContact NE-OE2 2.9Å; R947-E950 IonicContact NH2-OE2 3.98Å; R947-L951 WeakPolarHBondContact O-CB 3.34Å; R947-L951 PolarHBondContact O-N 3.49Å
948V98.1Very high97.2Very high0 Ų051.1 Ų51.10%027%0.27CS..Hα-helixtrans-73.9-40.3178.6164.40000111.8I860 L863 L883 V924 M944 M945 D946 L951 Y952I860-V948 HydrophobicContact CB-CG1 4.35Å; I860-V948 HydrophobicContact CD1-CG1 4.17Å; I860-V948 HydrophobicContact CG1-CG1 3.67Å; I860-V948 HydrophobicContact CG2-CG1 3.93Å; L863-V948 HydrophobicContact CD2-CG2 4.04Å; L883-V948 HydrophobicContact CD1-CG1 3.76Å; L883-V948 HydrophobicContact CD1-CG2 4.15Å; V924-V948 HydrophobicContact CG1-CG2 3.81Å; V924-V948 HydrophobicContact CG2-CG2 4.05Å; M944-V948 WeakPolarHBondContact O-CG2 3.45Å; M944-V948 PolarHBondContact O-N 3.27Å; M945-V948 WeakPolarHBondContact O-CB 3.2Å; M945-V948 PolarHBondContact O-N 3.22Å; M945-V948 VanDerWaalsContact O-N 3.09Å; D946-V948 VanDerWaalsContact C-N 3.31Å; V948-L951 WeakPolarHBondContact O-CB 3.27Å; V948-L951 PolarHBondContact O-N 2.88Å; V948-Y952 PolarHBondContact O-N 3.45Å
949T97.4Very high97.3Very high86 Ų8646 Ų4653%0.52824%0.239SC..Hα-helixtrans-68.1-38.3172.654.20000111.4M945 D946 L951 Y952 Q953M945-T949 PolarHBondContact O-N 2.81Å; M945-T949 PolarHBondContact O-OG1 3.21Å; D946-T949 PolarHBondContact O-OG1 3.36Å; D946-T949 VanDerWaalsContact O-OG1 3.07Å; T949-L951 VanDerWaalsContact C-N 3.34Å; T949-L951 PolarHBondContact O-N 3.32Å; T949-Y952 PolarHBondContact O-N 2.92Å; T949-Q953 PolarHBondContact O-N 3.38Å
950E97.8Very high97.4Very high67 Ų6744.2 Ų44.231%0.31323%0.228SC..Hα-helixtrans-57.9-43.5169.5-170-171.7156.600111.8V920 D946 R947 Y952 Q953 Q954V920-E950 HydrophobicContact CG1-CB 4.07Å; V920-E950 HydrophobicContact CG1-CG 3.86Å; V920-E950 HydrophobicContact CG2-CG 4.32Å; V920-E950 WeakPolarHBondContact CG2-OE1 3.49Å; D946-E950 WeakPolarHBondContact O-CB 3.35Å; D946-E950 PolarHBondContact O-N 3.36Å; D946-E950 VanDerWaalsContact O-N 3.13Å; R947-E950 IonicContact CZ-OE2 3.39Å; R947-E950 IonicContact NE-OE2 3.55Å; R947-E950 PolarHBondContact NE-OE2 2.9Å; R947-E950 IonicContact NH2-OE2 3.98Å; E950-Y952 PolarHBondContact O-N 3.18Å; E950-Q953 PolarHBondContact O-N 2.83Å; E950-Q954 WeakPolarHBondContact O-CG 3.27Å; E950-Q954 PolarHBondContact O-N 3.27Å
951L98.1Very high97.3Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-60.9-45176.2-179.470.2000111.5L883 A887 L917 V920 L921 V924 R947 V948 T949 Q954 A955L883-L951 HydrophobicContact CD2-CD2 3.67Å; A887-L951 HydrophobicContact CB-CD2 4.22Å; L917-L951 HydrophobicContact CD1-CD1 3.79Å; V920-L951 HydrophobicContact CB-CD1 4.33Å; V920-L951 HydrophobicContact CG1-CB 3.92Å; V920-L951 HydrophobicContact CG1-CD1 4.3Å; L921-L951 HydrophobicContact CB-CD1 3.99Å; L921-L951 HydrophobicContact CD1-CD1 4.16Å; L921-L951 HydrophobicContact CD1-CD2 3.87Å; V924-L951 HydrophobicContact CG2-CB 4.05Å; V924-L951 HydrophobicContact CG2-CD2 4.17Å; R947-L951 WeakPolarHBondContact O-CB 3.34Å; R947-L951 PolarHBondContact O-N 3.49Å; V948-L951 WeakPolarHBondContact O-CB 3.27Å; V948-L951 PolarHBondContact O-N 2.88Å; T949-L951 VanDerWaalsContact C-N 3.34Å; T949-L951 PolarHBondContact O-N 3.32Å; L951-Q954 PolarHBondContact O-N 3.43Å; L951-A955 VanDerWaalsContact O-CB 3.32Å; L951-A955 WeakPolarHBondContact O-CB 3.31Å; L951-A955 PolarHBondContact O-N 3.1Å
952Y98.1Very high97.3Very high95 Ų9544.8 Ų44.837%0.37323%0.229SC..Hα-helixtrans-62.3-42176.3-177.2-105.9000111.9L853 L856 A857 I860 V948 T949 E950 Q954 A955 A956L853-Y952 HydrophobicContact CD1-CD2 3.89Å; L853-Y952 HydrophobicContact CD1-CE2 3.56Å; L853-Y952 HydrophobicContact CG-CE2 3.98Å; L856-Y952 HydrophobicContact CD2-CD2 4.35Å; L856-Y952 HydrophobicContact CG-CD2 4.49Å; A857-Y952 HydrophobicContact CB-CE2 4.14Å; I860-Y952 HydrophobicContact CD1-CD2 3.84Å; I860-Y952 HydrophobicContact CD1-CG 4.02Å; V948-Y952 PolarHBondContact O-N 3.45Å; T949-Y952 PolarHBondContact O-N 2.92Å; E950-Y952 PolarHBondContact O-N 3.18Å; Y952-Q954 PolarHBondContact O-N 2.97Å; Y952-A955 WeakPolarHBondContact O-CB 3.48Å; Y952-A955 PolarHBondContact O-N 3.01Å; Y952-A956 WeakPolarHBondContact O-CB 3.35Å; Y952-A956 PolarHBondContact O-N 3.07Å
953Q97.6Very high97.2Very high134 Ų13444.7 Ų44.763%0.62623%0.229SC*.Hα-helixtrans-64-41.3177.7-164.5-175.255.300111.9T949 E950 G957T949-Q953 PolarHBondContact O-N 3.38Å; E950-Q953 PolarHBondContact O-N 2.83Å; Q953-G957 PolarHBondContact O-N 3.31Å
954Q97.3Very high97.1Very high57 Ų5747.4 Ų47.427%0.26623%0.234SC..Hα-helixtrans-68-34.5173-62.7-49-61.800112.4L917 V920 E950 L951 Y952 G957 F958L917-Q954 HydrophobicContact CD1-CB 4.01Å; V920-Q954 HydrophobicContact CG2-CG 3.9Å; E950-Q954 WeakPolarHBondContact O-CG 3.27Å; E950-Q954 PolarHBondContact O-N 3.27Å; L951-Q954 PolarHBondContact O-N 3.43Å; Y952-Q954 PolarHBondContact O-N 2.97Å; Q954-G957 PolarHBondContact O-N 3.34Å; Q954-F958 WeakPolarHBondContact O-CB 3.47Å; Q954-F958 PolarHBondContact O-N 2.83Å
955A97.8Very high96.8Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-65.7-46.417600000111.9L853 L856 L890 L917 L951 Y952 G957 F958 S959L853-A955 HydrophobicContact CD1-CB 3.63Å; L856-A955 HydrophobicContact CD2-CB 3.7Å; L890-A955 HydrophobicContact CD1-CB 3.64Å; L917-A955 HydrophobicContact CD1-CB 4.01Å; L951-A955 VanDerWaalsContact O-CB 3.32Å; L951-A955 WeakPolarHBondContact O-CB 3.31Å; L951-A955 PolarHBondContact O-N 3.1Å; Y952-A955 WeakPolarHBondContact O-CB 3.48Å; Y952-A955 PolarHBondContact O-N 3.01Å; A955-G957 VanDerWaalsContact C-N 3.35Å; A955-F958 WeakPolarHBondContact O-CB 3.49Å; A955-F958 PolarHBondContact O-N 2.89Å; A955-F958 VanDerWaalsContact O-N 3.17Å; A955-S959 PolarHBondContact O-N 2.8Å; A955-S959 PolarHBondContact O-OG 2.89Å
956A97.6Very high96.4Very high26 Ų2647.7 Ų47.722%0.21524%0.238CC..Hα-helixtrans-64.7-38.6173.800000112L853 Y952 F958 T960L853-A956 HydrophobicContact CD1-CB 4.28Å; L853-A956 HydrophobicContact CD2-CB 4.01Å; Y952-A956 WeakPolarHBondContact O-CB 3.35Å; Y952-A956 PolarHBondContact O-N 3.07Å; A956-F958 VanDerWaalsContact C-N 3.29Å; A956-F958 PolarHBondContact O-N 2.84Å; A956-T960 WeakPolarHBondContact O-CB 3.43Å; A956-T960 VanDerWaalsContact O-CG2 3.29Å; A956-T960 WeakPolarHBondContact O-CG2 3.43Å; A956-T960 PolarHBondContact O-N 2.82Å; A956-T960 PolarHBondContact O-OG1 3.19Å
957G96.9Very high95.7Very high36 Ų3648 Ų4837%0.37125%0.254SS..Hα-helixtrans-60.3-37.2171.200000113Q953 Q954 A955 T960 L961Q953-G957 PolarHBondContact O-N 3.31Å; Q954-G957 PolarHBondContact O-N 3.34Å; A955-G957 VanDerWaalsContact C-N 3.35Å; G957-T960 PolarHBondContact O-OG1 2.79Å; G957-L961 VanDerWaalsContact O-CB 3.28Å; G957-L961 WeakPolarHBondContact O-CB 3.43Å; G957-L961 PolarHBondContact O-N 2.82Å; G957-L961 VanDerWaalsContact O-N 3.09Å
958F97.6Very high94.8Very high1 Ų148.4 Ų48.40%0.00426%0.262CS..Hα-helixtrans-69.3-52.2175.4178.3-92.8000112.1I893 I910 S913 Q954 A955 A956 T960 L961 L962I893-F958 HydrophobicContact CG2-CE1 4.16Å; I893-F958 HydrophobicContact CG2-CZ 4.23Å; I910-F958 HydrophobicContact CG2-CE2 4.35Å; S913-F958 WeakPolarHBondContact OG-CD2 3.48Å; Q954-F958 WeakPolarHBondContact O-CB 3.47Å; Q954-F958 PolarHBondContact O-N 2.83Å; A955-F958 WeakPolarHBondContact O-CB 3.49Å; A955-F958 PolarHBondContact O-N 2.89Å; A955-F958 VanDerWaalsContact O-N 3.17Å; A956-F958 VanDerWaalsContact C-N 3.29Å; A956-F958 PolarHBondContact O-N 2.84Å; F958-T960 PolarHBondContact O-N 3.31Å; F958-L961 WeakPolarHBondContact O-CB 3.44Å; F958-L961 PolarHBondContact O-N 2.82Å; F958-L961 VanDerWaalsContact O-N 3.09Å; F958-L962 HydrophobicContact CD1-CD1 4.27Å; F958-L962 HydrophobicContact CD1-CG 4.49Å; F958-L962 HydrophobicContact CE1-CD1 3.54Å; F958-L962 HydrophobicContact CE1-CG 4.08Å; F958-L962 HydrophobicContact CZ-CD1 3.85Å; F958-L962 HydrophobicContact CZ-CD2 4.31Å; F958-L962 HydrophobicContact CZ-CG 4.19Å; F958-L962 PolarHBondContact O-N 3.43Å
959S97.3Very high92.6Very high0 Ų053.7 Ų53.70%030%0.299CS..Hα-helixtrans-64-40.9-179.5-52.90000112.1S849 A955 L961 L962 Q963S849-S959 WeakPolarHBondContact CB-OG 3.41Å; S849-S959 PolarHBondContact O-OG 2.94Å; S849-S959 VanDerWaalsContact O-OG 3.14Å; S849-S959 WeakPolarHBondContact OG-CA 3.49Å; S849-S959 VanDerWaalsContact OG-CB 3.28Å; S849-S959 WeakPolarHBondContact OG-CB 3.44Å; S849-S959 PolarHBondContact OG-OG 3.06Å; A955-S959 PolarHBondContact O-N 2.8Å; A955-S959 PolarHBondContact O-OG 2.89Å; S959-L961 VanDerWaalsContact C-N 3.28Å; S959-L961 PolarHBondContact O-N 3.42Å; S959-L962 PolarHBondContact O-N 3.02Å; S959-Q963 PolarHBondContact O-N 2.85Å
960T96.7Very high92.4Very high51 Ų5152.1 Ų52.131%0.31329%0.287SS..Hα-helixtrans-71.9-18.8174.463.30000113.7F850 A956 G957 F958 R964F850-T960 HydrophobicContact CE1-CG2 4.43Å; F850-T960 HydrophobicContact CZ-CG2 4.28Å; A956-T960 WeakPolarHBondContact O-CB 3.43Å; A956-T960 VanDerWaalsContact O-CG2 3.29Å; A956-T960 WeakPolarHBondContact O-CG2 3.43Å; A956-T960 PolarHBondContact O-N 2.82Å; A956-T960 PolarHBondContact O-OG1 3.19Å; G957-T960 PolarHBondContact O-OG1 2.79Å; F958-T960 PolarHBondContact O-N 3.31Å; T960-R964 WeakPolarHBondContact O-CB 3.38Å; T960-R964 WeakPolarHBondContact O-CG 3.35Å; T960-R964 PolarHBondContact O-N 2.9Å; T960-R964 PolarHBondContact O-NE 2.95Å; T960-R964 PolarHBondContact OG1-NH2 2.82Å; T960-R964 VanDerWaalsContact OG1-NH2 3.14Å
961L95.5Very high92.1Very high40 Ų4051.3 Ų51.321%0.20929%0.286CS..Hα-helixtrans-73.1-47.416717565000110.1G957 F958 S959 Q963 R964 L965G957-L961 VanDerWaalsContact O-CB 3.28Å; G957-L961 WeakPolarHBondContact O-CB 3.43Å; G957-L961 PolarHBondContact O-N 2.82Å; G957-L961 VanDerWaalsContact O-N 3.09Å; F958-L961 WeakPolarHBondContact O-CB 3.44Å; F958-L961 PolarHBondContact O-N 2.82Å; F958-L961 VanDerWaalsContact O-N 3.09Å; S959-L961 VanDerWaalsContact C-N 3.28Å; S959-L961 PolarHBondContact O-N 3.42Å; L961-Q963 VanDerWaalsContact C-N 3.33Å; L961-Q963 PolarHBondContact O-N 2.8Å; L961-R964 PolarHBondContact O-N 3.17Å; L961-R964 VanDerWaalsContact O-N 3.15Å; L961-L965 HydrophobicContact CD1-CD1 4.04Å; L961-L965 HydrophobicContact CD1-CD2 4.35Å; L961-L965 HydrophobicContact CD1-CG 4.02Å; L961-L965 HydrophobicContact CG-CD1 4Å; L961-L965 HydrophobicContact CG-CG 4.34Å; L961-L965 WeakPolarHBondContact O-CG 3Å; L961-L965 PolarHBondContact O-N 2.88Å
962L95.5Very high91.8Very high0 Ų054.2 Ų54.20%030%0.302CS..Hα-helixtrans-57.3-45.5177.4-65.6-170.4000111.8L842 I893 L897 I910 F958 S959 R964 L965 A966L842-L962 HydrophobicContact CD2-CD2 4.09Å; I893-L962 HydrophobicContact CG2-CD1 3.91Å; L897-L962 HydrophobicContact CD1-CD1 3.79Å; L897-L962 HydrophobicContact CD1-CD2 3.5Å; L897-L962 HydrophobicContact CD1-CG 4.32Å; I910-L962 HydrophobicContact CD1-CD2 3.9Å; I910-L962 HydrophobicContact CG1-CD2 3.96Å; F958-L962 HydrophobicContact CD1-CD1 4.27Å; F958-L962 HydrophobicContact CD1-CG 4.49Å; F958-L962 HydrophobicContact CE1-CD1 3.54Å; F958-L962 HydrophobicContact CE1-CG 4.08Å; F958-L962 HydrophobicContact CZ-CD1 3.85Å; F958-L962 HydrophobicContact CZ-CD2 4.31Å; F958-L962 HydrophobicContact CZ-CG 4.19Å; F958-L962 PolarHBondContact O-N 3.43Å; S959-L962 PolarHBondContact O-N 3.02Å; L962-R964 VanDerWaalsContact C-N 3.33Å; L962-R964 PolarHBondContact O-N 3.15Å; L962-L965 PolarHBondContact O-N 2.96Å; L962-L965 VanDerWaalsContact O-N 3.13Å; L962-A966 PolarHBondContact O-N 3.45Å
963Q95.3Very high91.4Very high97 Ų9751.8 Ų51.845%0.45330%0.297SS..Hα-helixtrans-60-41.9176.4-168.359.426.500112.8S846 F850 S959 L961 L965 A966 G967S846-Q963 VanDerWaalsContact OG-CA 3.3Å; S846-Q963 WeakPolarHBondContact OG-CA 3.39Å; S846-Q963 WeakPolarHBondContact OG-CB 3.33Å; S846-Q963 PolarHBondContact OG-N 3.43Å; S846-Q963 PolarHBondContact OG-OE1 2.84Å; F850-Q963 HydrophobicContact CE2-CB 4.01Å; F850-Q963 HydrophobicContact CE2-CG 4.4Å; F850-Q963 HydrophobicContact CZ-CB 4.34Å; S959-Q963 PolarHBondContact O-N 2.85Å; L961-Q963 VanDerWaalsContact C-N 3.33Å; L961-Q963 PolarHBondContact O-N 2.8Å; Q963-L965 VanDerWaalsContact C-N 3.32Å; Q963-A966 PolarHBondContact O-N 2.89Å; Q963-G967 PolarHBondContact O-N 2.67Å
964R94.2Very high91Very high162 Ų16246.6 Ų46.661%0.61128%0.277SS*.Hα-helixtrans-70.5-26.3177.2-81179.8-77.8-172.7-8113.1T960 L961 L962 I968T960-R964 WeakPolarHBondContact O-CB 3.38Å; T960-R964 WeakPolarHBondContact O-CG 3.35Å; T960-R964 PolarHBondContact O-N 2.9Å; T960-R964 PolarHBondContact O-NE 2.95Å; T960-R964 PolarHBondContact OG1-NH2 2.82Å; T960-R964 VanDerWaalsContact OG1-NH2 3.14Å; L961-R964 PolarHBondContact O-N 3.17Å; L961-R964 VanDerWaalsContact O-N 3.15Å; L962-R964 VanDerWaalsContact C-N 3.33Å; L962-R964 PolarHBondContact O-N 3.15Å; R964-I968 WeakPolarHBondContact O-CD1 3.45Å; R964-I968 VanDerWaalsContact O-CG1 3.28Å; R964-I968 WeakPolarHBondContact O-CG1 3.08Å
965L90.8Very high90.6Very high4 Ų445.9 Ų45.92%0.02128%0.278CS..Hα-helixtrans-79.6-36.6173.3-63.9177.7000111.6L834 L842 L906 I910 L961 L962 Q963 G967 I968L834-L965 VanDerWaalsContact CD1-O 3.3Å; L834-L965 WeakPolarHBondContact CD1-O 3.48Å; L842-L965 HydrophobicContact CD1-CB 3.79Å; L842-L965 HydrophobicContact CD2-CB 4.21Å; L906-L965 HydrophobicContact CD2-CB 4.32Å; L906-L965 HydrophobicContact CD2-CD1 4.14Å; L906-L965 HydrophobicContact CD2-CD2 3.77Å; L906-L965 HydrophobicContact CD2-CG 4.28Å; I910-L965 HydrophobicContact CD1-CD1 3.89Å; I910-L965 HydrophobicContact CG1-CD1 3.91Å; L961-L965 HydrophobicContact CD1-CD1 4.04Å; L961-L965 HydrophobicContact CD1-CD2 4.35Å; L961-L965 HydrophobicContact CD1-CG 4.02Å; L961-L965 HydrophobicContact CG-CD1 4Å; L961-L965 HydrophobicContact CG-CG 4.34Å; L961-L965 WeakPolarHBondContact O-CG 3Å; L961-L965 PolarHBondContact O-N 2.88Å; L962-L965 PolarHBondContact O-N 2.96Å; L962-L965 VanDerWaalsContact O-N 3.13Å; Q963-L965 VanDerWaalsContact C-N 3.32Å; L965-G967 VanDerWaalsContact C-N 3.33Å; L965-I968 HydrophobicContact CD2-CD1 4.35Å; L965-I968 PolarHBondContact O-N 3.33Å
966A90.3Very high90.1Very high12 Ų1249.2 Ų49.210%0.09930%0.297CS..Hα-helixtrans-63.4-38.617300000112.1L842 L962 Q963 I968L842-A966 HydrophobicContact CB-CB 3.89Å; L962-A966 PolarHBondContact O-N 3.45Å; Q963-A966 PolarHBondContact O-N 2.89Å; A966-I968 PolarHBondContact O-N 3.44Å
967G83Confident89.5Confident63 Ų6351 Ų5165%0.64930%0.304SS*.THydrogen-bonded Turntrans-77.915.5179.600000116.4Q963 L965Q963-G967 PolarHBondContact O-N 2.67Å; L965-G967 VanDerWaalsContact C-N 3.33Å
968I77.4Confident88.9Confident86 Ų8652.3 Ų52.344%0.44130%0.298SS..THydrogen-bonded Turntrans-102.412.5173.7-66.8164.3000110.8L834 R964 L965 A966L834-I968 HydrophobicContact CD1-CB 4.12Å; L834-I968 HydrophobicContact CD1-CG2 4.31Å; L834-I968 HydrophobicContact CG-CG2 4.31Å; R964-I968 WeakPolarHBondContact O-CD1 3.45Å; R964-I968 VanDerWaalsContact O-CG1 3.28Å; R964-I968 WeakPolarHBondContact O-CG1 3.08Å; L965-I968 HydrophobicContact CD2-CD1 4.35Å; L965-I968 PolarHBondContact O-N 3.33Å; A966-I968 PolarHBondContact O-N 3.44Å
969S53.2Low88.1Confident111 Ų11156.9 Ų56.978%0.77633%0.325SS*.  trans-72.50176.9-165.60000114.1S839S839-S969 PolarHBondContact OG-OG 3.02Å

Retrieved 969 of 969 residues in 141.1 ms (Link to these results)