A0A096MWV9_PAPAN Loading...

Rhomboid domain containing 3

AlphaFold DB , UniProt , Accession A0A096MWV9, Species PAPAN (Papio anubis, Olive baboon), Gene RHBDD3, Length 386 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
1M35Very low36.7Very low245 Ų245137.5 Ų137.5100%1.20778%0.783SS**  0119.70-78167.8157.300108.1
2H33.8Very low38.4Very low195 Ų195135.7 Ų135.790%0.90378%0.78SS**  trans-94.6116.5178.1-71.9-60.2000110.4R4H2-R4 PolarHBondContact O-N 2.73Å
3A32.8Very low40.4Very low107 Ų107129.1 Ų129.188%0.88475%0.752SS**  trans-81.591.4163.200000108.5G5A3-G5 PolarHBondContact O-N 3.35Å
4R39.3Very low43.1Very low204 Ų204123.9 Ų123.977%0.7772%0.719SS**  trans-7799.7171.1-176.4151-165.5147.27.2109H2 H7H2-R4 PolarHBondContact O-N 2.73Å; R4-H7 PolarHBondContact NH2-NE2 3.3Å
5G29.3Very low45.8Very low54 Ų54116.1 Ų116.156%0.55767%0.674SS**  trans-60.4137.5167.500000110.6A3A3-G5 PolarHBondContact O-N 3.35Å
6P37.3Very low48.2Very low124 Ų124109.4 Ų109.481%0.80564%0.635SS**  trans-72.7138-177.729.2-33.9000111.3G8P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.28Å
7H37.4Very low50.3Low166 Ų166103.5 Ų103.577%0.76960%0.602SS**  trans-71.386.2162.7-63.3-83.4000108.3R4R4-H7 PolarHBondContact NH2-NE2 3.3Å
8G33.3Very low52.4Low48 Ų4897.8 Ų97.850%0.49557%0.569SS.*  trans-64.2152.3163.300000110.1P6 L10P6-G8 VanDerWaalsContact C-N 3.26Å; P6-G8 PolarHBondContact O-N 3.28Å; G8-L10 PolarHBondContact O-N 3.29Å
9P36.2Very low54.3Low129 Ų12993.7 Ų93.784%0.83855%0.546SS*.  trans-60.2115.7172.526.6-33000108.4S11P9-S11 PolarHBondContact O-N 3.46Å
10L42.4Very low56Low171 Ų17192.2 Ų92.290%0.89554%0.538SS*.  trans-60.5106.1172.6-75.1164000107.6G8G8-L10 PolarHBondContact O-N 3.29Å
11S46.9Very low57.6Low70 Ų7088.8 Ų88.849%0.4952%0.518SS..  trans-53.3137.2170.9-46.90000108.4P9 A13P9-S11 PolarHBondContact O-N 3.46Å; S11-A13 PolarHBondContact O-N 2.9Å
12P57.5Low60.3Low115 Ų11579.2 Ų79.275%0.74747%0.47SS*.  trans-60.1108.9179.424.8-33.1000108.5L14P12-L14 PolarHBondContact O-N 2.88Å
13A64.4Low63Low50 Ų5076 Ų7641%0.41346%0.459SS..PPolyproline II helixtrans-66.9124.2-179.400000108.5S11 R212S11-A13 PolarHBondContact O-N 2.9Å; A13-R212 HydrophobicContact CB-CB 3.91Å
14L78Confident65.8Low56 Ų5674 Ų7429%0.29343%0.433SS..EExtended strand (participates in β ladder)trans-79.4126.5-176.5-55.8178000108.2P12 W78 P210 L211 R212P12-L14 PolarHBondContact O-N 2.88Å; L14-W78 HydrophobicContact CD2-CH2 3.69Å; L14-W78 HydrophobicContact CD2-CZ2 3.74Å; L14-W78 HydrophobicContact CD2-CZ3 4.45Å; L14-P210 HydrophobicContact CD1-CG 4.46Å; L14-P210 PolarHBondContact N-O 3.28Å; L14-L211 HydrophobicContact CB-CD2 4.44Å; L14-L211 WeakPolarHBondContact O-CA 3.5Å; L14-R212 PolarHBondContact O-N 2.96Å
15P82.7Confident68.3Low7 Ų764.3 Ų64.35%0.04540%0.397CS..EExtended strand (participates in β ladder)trans-71.1137-178.133.7-38.6000109.8S19 W78 E81 L214P15-S19 PolarHBondContact O-N 3.25Å; P15-S19 PolarHBondContact O-OG 3.46Å; P15-W78 HydrophobicContact CG-CB 3.94Å; P15-W78 HydrophobicContact CG-CD2 4.35Å; P15-W78 HydrophobicContact CG-CG 3.57Å; P15-E81 HydrophobicContact CB-CB 4.21Å; P15-E81 HydrophobicContact CB-CG 4.13Å; P15-L214 HydrophobicContact CB-CD1 3.83Å
16L84.1Confident71.2Confident10 Ų1063.6 Ų63.65%0.05238%0.383CS..Hα-helixtrans-72.2-45.5-154.2-173.7145.3000114.4S19 V20 E81 T86 L205 L211 R212 L213L16-S19 PolarHBondContact O-N 3.28Å; L16-V20 HydrophobicContact CD2-CG2 3.92Å; L16-V20 HydrophobicContact CG-CG2 4.2Å; L16-V20 WeakPolarHBondContact O-CB 3.34Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 3.22Å; L16-E81 PolarHBondContact N-OE1 2.98Å; L16-T86 HydrophobicContact CB-CG2 4.49Å; L16-L205 HydrophobicContact CD1-CB 3.79Å; L16-L205 HydrophobicContact CD1-CD2 4.15Å; L16-L205 HydrophobicContact CD1-CG 4.44Å; L16-L205 HydrophobicContact CD2-CD1 4.37Å; L16-L211 HydrophobicContact CB-CB 4.26Å; L16-L211 HydrophobicContact CD1-CB 3.75Å; L16-L211 HydrophobicContact CD1-CD1 4.4Å; L16-L211 HydrophobicContact CG-CB 4Å; L16-L211 HydrophobicContact CG-CD1 4.32Å; L16-R212 WeakPolarHBondContact CB-O 3.36Å; L16-R212 PolarHBondContact N-O 3.33Å; L16-R212 VanDerWaalsContact N-O 3.16Å; L16-L213 HydrophobicContact CD1-CG 4.19Å
17A85.2Confident73.8Confident9 Ų960 Ų607%0.07436%0.361CS..Hα-helixtrans-66.8-43.8-173.300000111.6S19 V20 L21 E81 T86 F89A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.49Å; A17-V20 PolarHBondContact O-N 3.15Å; A17-L21 WeakPolarHBondContact O-CB 3.14Å; A17-L21 PolarHBondContact O-N 3.3Å; A17-E81 PolarHBondContact N-OE1 3.29Å; A17-E81 PolarHBondContact N-OE2 3.15Å; A17-T86 HydrophobicContact CB-CG2 3.7Å; A17-F89 HydrophobicContact CB-CD1 3.88Å; A17-F89 HydrophobicContact CB-CE1 4.13Å
18S87.5Confident76.3Confident0 Ų054 Ų540%034%0.335CS..Hα-helixtrans-59.3-44.5177.5-57.10000111.6L21 M22 G77 E81S18-L21 PolarHBondContact O-N 3.11Å; S18-M22 VanDerWaalsContact O-CG 3.29Å; S18-M22 WeakPolarHBondContact O-CG 3.39Å; S18-M22 PolarHBondContact O-N 3.29Å; S18-G77 PolarHBondContact OG-O 3.46Å; S18-E81 VanDerWaalsContact CB-OE2 3.3Å; S18-E81 WeakPolarHBondContact CB-OE2 3.47Å; S18-E81 PolarHBondContact N-OE2 3.44Å; S18-E81 PolarHBondContact OG-OE2 2.76Å
19S88.6Confident79Confident20 Ų2055.9 Ų55.914%0.1433%0.327CS..Hα-helixtrans-70.5-40.4179.3-66.80000113.2P15 L16 A17 L21 M22 L23 L211P15-S19 PolarHBondContact O-N 3.25Å; P15-S19 PolarHBondContact O-OG 3.46Å; L16-S19 PolarHBondContact O-N 3.28Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.49Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-M22 PolarHBondContact O-N 3.35Å; S19-L23 PolarHBondContact O-N 3.03Å; S19-L211 VanDerWaalsContact CB-CD2 3.42Å
20V88.8Confident81.6Confident63 Ų6356.2 Ų56.238%0.38232%0.321SS..Hα-helixtrans-63.4-41.7173.7168.20000110.6L16 A17 L23 L24 L211L16-V20 HydrophobicContact CD2-CG2 3.92Å; L16-V20 HydrophobicContact CG-CG2 4.2Å; L16-V20 WeakPolarHBondContact O-CB 3.34Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 3.22Å; A17-V20 PolarHBondContact O-N 3.15Å; V20-L23 PolarHBondContact O-N 3.13Å; V20-L24 WeakPolarHBondContact O-CB 3.33Å; V20-L24 PolarHBondContact O-N 3.33Å; V20-L211 HydrophobicContact CG2-CD1 4.25Å
21L89.4Confident83.8Confident22 Ų2253.8 Ų53.812%0.11531%0.313CS..Hα-helixtrans-63-46.8176.6179.766.5000111.4A17 S18 S19 L23 L24 M25 L58 L73 Y121A17-L21 WeakPolarHBondContact O-CB 3.14Å; A17-L21 PolarHBondContact O-N 3.3Å; S18-L21 PolarHBondContact O-N 3.11Å; S19-L21 VanDerWaalsContact C-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 2.97Å; L21-L24 WeakPolarHBondContact O-CB 3.38Å; L21-L24 PolarHBondContact O-N 2.89Å; L21-L24 VanDerWaalsContact O-N 3.13Å; L21-M25 HydrophobicContact CD1-CE 3.66Å; L21-M25 HydrophobicContact CD1-SD 4.12Å; L21-M25 VanDerWaalsContact O-CG 3.3Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 3.43Å; L21-L58 HydrophobicContact CD1-CD2 3.66Å; L21-L73 HydrophobicContact CD2-CD1 3.88Å; L21-L73 HydrophobicContact CD2-CD2 3.55Å; L21-L73 HydrophobicContact CD2-CG 4.4Å; L21-L73 HydrophobicContact CG-CD1 4.02Å; L21-L73 HydrophobicContact CG-CD2 4.5Å; L21-Y121 HydrophobicContact CD1-CD2 4.21Å; L21-Y121 HydrophobicContact CD1-CE2 4.16Å; L21-Y121 HydrophobicContact CD2-CD2 3.73Å; L21-Y121 HydrophobicContact CD2-CE1 4.23Å; L21-Y121 HydrophobicContact CD2-CE2 3.23Å; L21-Y121 HydrophobicContact CD2-CG 4.47Å; L21-Y121 HydrophobicContact CG-CD2 4.4Å; L21-Y121 HydrophobicContact CG-CE2 4.25Å
22M91.7Very high85.7Confident43 Ų4353 Ų5321%0.21232%0.315CS..Hα-helixtrans-56.3-45.5174.3-73.2174.871.200112.4S18 S19 L24 M25 S26 L70 L73 P74S18-M22 VanDerWaalsContact O-CG 3.29Å; S18-M22 WeakPolarHBondContact O-CG 3.39Å; S18-M22 PolarHBondContact O-N 3.29Å; S19-M22 PolarHBondContact O-N 3.35Å; M22-L24 VanDerWaalsContact C-N 3.31Å; M22-L24 PolarHBondContact O-N 3.17Å; M22-M25 PolarHBondContact O-N 3.02Å; M22-S26 WeakPolarHBondContact O-CB 3.27Å; M22-S26 PolarHBondContact O-N 3.27Å; M22-S26 PolarHBondContact O-OG 3.25Å; M22-L70 HydrophobicContact CB-CD2 3.82Å; M22-L70 HydrophobicContact CE-CD2 4.19Å; M22-L70 WeakPolarHBondContact CE-O 3.42Å; M22-L70 HydrophobicContact CG-CD2 3.92Å; M22-L73 HydrophobicContact CG-CB 3.68Å; M22-L73 HydrophobicContact CG-CD1 3.58Å; M22-L73 HydrophobicContact CG-CG 4.25Å; M22-L73 HydrophobicContact SD-CB 3.97Å; M22-P74 HydrophobicContact CE-CG 3.68Å; M22-P74 HydrophobicContact SD-CG 3.67Å
23L91.1Very high87Confident128 Ų12848.2 Ų48.267%0.6729%0.285SS*.Hα-helixtrans-61-42.4176.5-169.493.6000111S19 V20 L21 S26 S27S19-L23 PolarHBondContact O-N 3.03Å; V20-L23 PolarHBondContact O-N 3.13Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 2.97Å; L23-S26 PolarHBondContact O-N 3.38Å; L23-S27 WeakPolarHBondContact O-CB 3.14Å; L23-S27 PolarHBondContact O-N 3.24Å; L23-S27 PolarHBondContact O-OG 3.28Å
24L91.5Very high87.7Confident65 Ų6545.9 Ų45.934%0.3427%0.267SS..Hα-helixtrans-65.7-41.8178.6-173.461000112.1V20 L21 M22 S26 S27 L28 L58V20-L24 WeakPolarHBondContact O-CB 3.33Å; V20-L24 PolarHBondContact O-N 3.33Å; L21-L24 WeakPolarHBondContact O-CB 3.38Å; L21-L24 PolarHBondContact O-N 2.89Å; L21-L24 VanDerWaalsContact O-N 3.13Å; M22-L24 VanDerWaalsContact C-N 3.31Å; M22-L24 PolarHBondContact O-N 3.17Å; L24-S26 VanDerWaalsContact C-N 3.33Å; L24-S26 PolarHBondContact O-N 2.81Å; L24-S27 PolarHBondContact O-N 2.96Å; L24-S27 PolarHBondContact O-OG 3.46Å; L24-S27 VanDerWaalsContact O-OG 3.12Å; L24-L28 HydrophobicContact CD1-CD1 3.93Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.88Å; L24-L28 HydrophobicContact CG-CG 4.46Å; L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.45Å; L24-L58 HydrophobicContact CD2-CD1 4.09Å; L24-L58 HydrophobicContact CD2-CD2 4.39Å
25M91Very high87.9Confident0 Ų047.7 Ų47.70%028%0.282CS..Hα-helixtrans-61.8-46.8175.5-56.7-52.673.800110.1L21 M22 S27 W29 L58 L66 L70L21-M25 HydrophobicContact CD1-CE 3.66Å; L21-M25 HydrophobicContact CD1-SD 4.12Å; L21-M25 VanDerWaalsContact O-CG 3.3Å; L21-M25 WeakPolarHBondContact O-CG 3.44Å; L21-M25 PolarHBondContact O-N 3.43Å; M22-M25 PolarHBondContact O-N 3.02Å; M25-S27 PolarHBondContact O-N 2.93Å; M25-W29 VanDerWaalsContact O-CB 3.27Å; M25-W29 WeakPolarHBondContact O-CB 3.48Å; M25-W29 PolarHBondContact O-N 3.26Å; M25-L58 VanDerWaalsContact CE-CA 3.4Å; M25-L58 HydrophobicContact CE-CB 3.56Å; M25-L58 HydrophobicContact CE-CD2 3.65Å; M25-L58 HydrophobicContact CE-CG 4.16Å; M25-L58 WeakPolarHBondContact CE-O 3.5Å; M25-L58 HydrophobicContact SD-CB 4.44Å; M25-L66 HydrophobicContact CB-CD1 3.7Å; M25-L70 HydrophobicContact CB-CD2 4.48Å
26S91.1Very high87.8Confident39 Ų3950.7 Ų50.727%0.27330%0.303SS..Hα-helixtrans-64-43-178.1-54.40000111.3M22 L23 L24 L30M22-S26 WeakPolarHBondContact O-CB 3.27Å; M22-S26 PolarHBondContact O-N 3.27Å; M22-S26 PolarHBondContact O-OG 3.25Å; L23-S26 PolarHBondContact O-N 3.38Å; L24-S26 VanDerWaalsContact C-N 3.33Å; L24-S26 PolarHBondContact O-N 2.81Å; S26-L30 WeakPolarHBondContact O-CB 3.22Å; S26-L30 WeakPolarHBondContact O-CG 3.48Å; S26-L30 PolarHBondContact O-N 3.27Å
27S90.9Very high87.7Confident49 Ų4951.3 Ų51.334%0.34331%0.306SS..Hα-helixtrans-70.7-42.8179.767.30000112.7L23 L24 M25 W29 L30 V31L23-S27 WeakPolarHBondContact O-CB 3.14Å; L23-S27 PolarHBondContact O-N 3.24Å; L23-S27 PolarHBondContact O-OG 3.28Å; L24-S27 PolarHBondContact O-N 2.96Å; L24-S27 PolarHBondContact O-OG 3.46Å; L24-S27 VanDerWaalsContact O-OG 3.12Å; M25-S27 PolarHBondContact O-N 2.93Å; S27-W29 VanDerWaalsContact C-N 3.32Å; S27-W29 PolarHBondContact O-N 3.35Å; S27-L30 PolarHBondContact O-N 3.24Å; S27-V31 VanDerWaalsContact O-CG2 3.31Å; S27-V31 WeakPolarHBondContact O-CG2 3.29Å; S27-V31 PolarHBondContact O-N 3.07Å
28L89.9Confident87.6Confident40 Ų4052.1 Ų52.121%0.20931%0.31CS..Hα-helixtrans-63.9-37.4175.9-71.7171.2000112L24 G32 A33 L37 L58L24-L28 HydrophobicContact CD1-CD1 3.93Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.88Å; L24-L28 HydrophobicContact CG-CG 4.46Å; L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.45Å; L28-G32 PolarHBondContact O-N 3.4Å; L28-A33 HydrophobicContact CB-CB 4.38Å; L28-A33 HydrophobicContact CD2-CB 4Å; L28-A33 WeakPolarHBondContact O-CB 3.35Å; L28-A33 PolarHBondContact O-N 3.02Å; L28-L37 HydrophobicContact CD1-CD1 4Å; L28-L37 HydrophobicContact CD2-CD1 4.34Å; L28-L58 HydrophobicContact CD1-CB 3.81Å
29W90.1Very high87.3Confident88 Ų8852.1 Ų52.133%0.33331%0.31SS..Hα-helixtrans-67.3-44.8174.1-174.683000112.2M25 S27 V31 G32 L63 L66M25-W29 VanDerWaalsContact O-CB 3.27Å; M25-W29 WeakPolarHBondContact O-CB 3.48Å; M25-W29 PolarHBondContact O-N 3.26Å; S27-W29 VanDerWaalsContact C-N 3.32Å; S27-W29 PolarHBondContact O-N 3.35Å; W29-V31 VanDerWaalsContact C-N 3.28Å; W29-V31 PolarHBondContact O-N 2.88Å; W29-G32 PolarHBondContact O-N 2.89Å; W29-L63 HydrophobicContact CH2-CD1 3.89Å; W29-L63 HydrophobicContact CZ2-CB 4.1Å; W29-L63 HydrophobicContact CZ2-CD1 3.9Å; W29-L63 HydrophobicContact CZ2-CG 4.41Å; W29-L66 HydrophobicContact CB-CD1 4.41Å; W29-L66 HydrophobicContact CB-CD2 3.91Å; W29-L66 HydrophobicContact CD2-CD2 3.68Å; W29-L66 HydrophobicContact CE3-CD2 4.06Å; W29-L66 HydrophobicContact CG-CD2 3.59Å
30L89.8Confident86.8Confident136 Ų13652.4 Ų52.471%0.71231%0.314SS*.Hα-helixtrans-61.8-32.9175.9-75.4168.8000113.3S26 S27 G32S26-L30 WeakPolarHBondContact O-CB 3.22Å; S26-L30 WeakPolarHBondContact O-CG 3.48Å; S26-L30 PolarHBondContact O-N 3.27Å; S27-L30 PolarHBondContact O-N 3.24Å; L30-G32 VanDerWaalsContact C-N 3.25Å
31V90.5Very high86.1Confident120 Ų12051.1 Ų51.173%0.72731%0.307SS*.THydrogen-bonded Turntrans-77.4-11.4174.1172.70000112.1S27 W29 A33S27-V31 VanDerWaalsContact O-CG2 3.31Å; S27-V31 WeakPolarHBondContact O-CG2 3.29Å; S27-V31 PolarHBondContact O-N 3.07Å; W29-V31 VanDerWaalsContact C-N 3.28Å; W29-V31 PolarHBondContact O-N 2.88Å; V31-A33 VanDerWaalsContact C-N 3.31Å
32G85Confident85.4Confident52 Ų5257.4 Ų57.454%0.53634%0.335SS..THydrogen-bonded Turntrans72.223.1-17600000113.5L28 W29 L30 G34 P35L28-G32 PolarHBondContact O-N 3.4Å; W29-G32 PolarHBondContact O-N 2.89Å; L30-G32 VanDerWaalsContact C-N 3.25Å; G32-G34 PolarHBondContact O-N 3.44Å; G32-P35 WeakPolarHBondContact O-CD 3.39Å
33A84.9Confident84.2Confident15 Ų1558.6 Ų58.612%0.12434%0.342CS..  trans-72.9-11.4-176.900000113.9L28 V31 S36 L37L28-A33 HydrophobicContact CB-CB 4.38Å; L28-A33 HydrophobicContact CD2-CB 4Å; L28-A33 WeakPolarHBondContact O-CB 3.35Å; L28-A33 PolarHBondContact O-N 3.02Å; V31-A33 VanDerWaalsContact C-N 3.31Å; A33-S36 PolarHBondContact O-N 2.71Å; A33-S36 PolarHBondContact O-OG 3.3Å; A33-L37 HydrophobicContact CB-CD1 4.44Å; A33-L37 PolarHBondContact O-N 3.37Å
34G79.8Confident83.2Confident2 Ų253.9 Ų53.92%0.02132%0.318CS..Hα-helixtrans-43.2-57.6-177.500000114.6G32 S36 L37 V38G32-G34 PolarHBondContact O-N 3.44Å; G34-S36 VanDerWaalsContact C-N 3.29Å; G34-S36 PolarHBondContact O-N 3.22Å; G34-L37 PolarHBondContact O-N 3.33Å; G34-L37 VanDerWaalsContact O-N 3.07Å; G34-V38 PolarHBondContact O-N 3.42Å
35P81.8Confident82.2Confident93 Ų9357.8 Ų57.860%0.60434%0.338SS*.Hα-helixtrans-60.2-32.7-179.9-24.635.2000114.2G32 L37 V38G32-P35 WeakPolarHBondContact O-CD 3.39Å; P35-L37 PolarHBondContact O-N 2.87Å; P35-V38 PolarHBondContact O-N 2.98Å
36S81.6Confident81.5Confident71 Ų7161.7 Ų61.750%0.49736%0.359SS..Hα-helixtrans-75-15.8179.675.50000112.8A33 G34 R52A33-S36 PolarHBondContact O-N 2.71Å; A33-S36 PolarHBondContact O-OG 3.3Å; G34-S36 VanDerWaalsContact C-N 3.29Å; G34-S36 PolarHBondContact O-N 3.22Å; S36-R52 PolarHBondContact O-NH1 3.02Å
37L80.8Confident80.5Confident22 Ų2264.8 Ų64.812%0.11538%0.378CS..Hα-helixtrans-100.9-4.9178.4-57.9179.8000113.7L28 A33 G34 P35 H56L28-L37 HydrophobicContact CD1-CD1 4Å; L28-L37 HydrophobicContact CD2-CD1 4.34Å; A33-L37 HydrophobicContact CB-CD1 4.44Å; A33-L37 PolarHBondContact O-N 3.37Å; G34-L37 PolarHBondContact O-N 3.33Å; G34-L37 VanDerWaalsContact O-N 3.07Å; P35-L37 PolarHBondContact O-N 2.87Å; L37-H56 WeakPolarHBondContact O-CA 3.41Å; L37-H56 WeakPolarHBondContact O-CB 3.3Å
38V84.2Confident79.7Confident26 Ų2673.4 Ų73.416%0.15840%0.404CS..SBendtrans-56.6142-179170.80000112.1G34 P35 A40 R52 T61 G117 C119G34-V38 PolarHBondContact O-N 3.42Å; P35-V38 PolarHBondContact O-N 2.98Å; V38-A40 PolarHBondContact O-N 3.47Å; V38-R52 PolarHBondContact O-NH1 3.18Å; V38-T61 HydrophobicContact CG2-CG2 4.39Å; V38-G117 WeakPolarHBondContact CG1-O 3.24Å; V38-C119 HydrophobicContact CG2-CB 4.17Å
39L80.9Confident79.3Confident0 Ų073.2 Ų73.20%040%0.402CS..  trans-7487.3178.7-161.378.7000111.2L44 L53 H56 A104 V105 G117 S118L39-L44 HydrophobicContact CD1-CD1 4.3Å; L39-L53 HydrophobicContact CD1-CD1 4.23Å; L39-H56 HydrophobicContact CB-CB 3.92Å; L39-H56 HydrophobicContact CD1-CB 3.96Å; L39-A104 HydrophobicContact CD2-CB 3.86Å; L39-V105 HydrophobicContact CD1-CG2 4.46Å; L39-V105 HydrophobicContact CD2-CG2 3.92Å; L39-V105 HydrophobicContact CG-CG2 4.06Å; L39-G117 WeakPolarHBondContact O-CA 3.29Å; L39-G117 PolarHBondContact O-N 3.03Å; L39-S118 WeakPolarHBondContact CB-O 3.42Å; L39-S118 PolarHBondContact N-O 3.5Å
40A78.9Confident78.9Confident27 Ų2772.6 Ų72.622%0.22341%0.407CS..  trans-99.2117.6177.700000111.2V38 E42 L43 L44V38-A40 PolarHBondContact O-N 3.47Å; A40-E42 PolarHBondContact O-N 3.06Å; A40-L43 HydrophobicContact CB-CB 4.18Å; A40-L43 HydrophobicContact CB-CD1 3.94Å; A40-L43 HydrophobicContact CB-CG 4.04Å; A40-L43 PolarHBondContact O-N 3.05Å; A40-L44 PolarHBondContact O-N 2.94Å
41P73.4Confident78.6Confident36 Ų3670.9 Ų70.923%0.23440%0.395CS..G310 helixtrans-58.8-43.9-179-25.135000113.2L43 L44 A108 A116P41-L43 PolarHBondContact O-N 3.11Å; P41-L44 PolarHBondContact O-N 3.36Å; P41-A108 HydrophobicContact CG-CB 3.73Å; P41-A116 HydrophobicContact CG-CB 3.47Å; P41-A116 VanDerWaalsContact CG-CB 3.47Å
42E73.6Confident78.4Confident153 Ų15366.7 Ų66.772%0.71537%0.366SS*.G310 helixtrans-57.5-35.2-179.5-50.8-52.8145.700112.7A40A40-E42 PolarHBondContact O-N 3.06Å
43L67.8Low78.5Confident68 Ų6865 Ų6536%0.35635%0.345SS..G310 helixtrans-84-13.5-178.4-62.1-179.3000113A40 P41 L45 Q49A40-L43 HydrophobicContact CB-CB 4.18Å; A40-L43 HydrophobicContact CB-CD1 3.94Å; A40-L43 HydrophobicContact CB-CG 4.04Å; A40-L43 PolarHBondContact O-N 3.05Å; P41-L43 PolarHBondContact O-N 3.11Å; L43-L45 VanDerWaalsContact C-N 3.31Å; L43-Q49 WeakPolarHBondContact O-CB 3.39Å
44L70.4Confident78.5Confident29 Ų2967.8 Ų67.815%0.15236%0.358CS..G310 helixtrans-81.4-10.4179.5-78.3163.7000113.4L39 A40 P41 D46 R52 L53 V105L39-L44 HydrophobicContact CD1-CD1 4.3Å; A40-L44 PolarHBondContact O-N 2.94Å; P41-L44 PolarHBondContact O-N 3.36Å; L44-D46 VanDerWaalsContact C-N 3.25Å; L44-R52 HydrophobicContact CD2-CB 4.14Å; L44-L53 HydrophobicContact CD1-CD1 4.47Å; L44-L53 HydrophobicContact CD2-CB 4.38Å; L44-V105 HydrophobicContact CD1-CG1 4.3Å; L44-V105 HydrophobicContact CD1-CG2 3.43Å; L44-V105 VanDerWaalsContact CD1-CG2 3.43Å
45L69.8Low78.9Confident147 Ų14769 Ų6977%0.7737%0.365SS*.G310 helixtrans-70.6-22.3172.5-64.8172000112.3L43L43-L45 VanDerWaalsContact C-N 3.31Å
46D76.8Confident79.2Confident82 Ų8264.6 Ų64.644%0.43934%0.336SS..SBendtrans-76.9123.2171.2-78.1-32.2000110.9L44 W48 Q49L44-D46 VanDerWaalsContact C-N 3.25Å; D46-W48 PolarHBondContact O-N 3.5Å; D46-Q49 HydrophobicContact CB-CB 4.11Å; D46-Q49 HydrophobicContact CB-CG 3.81Å; D46-Q49 PolarHBondContact O-N 3.18Å; D46-Q49 PolarHBondContact OD2-NE2 3.13Å
47P70.8Confident79.5Confident104 Ų10461.4 Ų61.468%0.67531%0.313SS*.THydrogen-bonded Turntrans-62.4-23-176.324-34000113.7Q49P47-Q49 VanDerWaalsContact C-N 3.33Å
48W72.8Confident79.8Confident231 Ų23162.1 Ų62.188%0.87532%0.317SS*.THydrogen-bonded Turntrans-77.5-16.6176.3-69.996.1000113.8D46 H51D46-W48 PolarHBondContact O-N 3.5Å; W48-H51 PolarHBondContact O-CE1 3.16Å; W48-H51 PolarHBondContact O-ND1 3.24Å
49Q82.3Confident79.9Confident36 Ų3660.9 Ų60.917%0.16831%0.31CS..SBendtrans-101.3-0.5-173.2-61.6-155.266.600113.8L43 D46 P47 H51 R52L43-Q49 WeakPolarHBondContact O-CB 3.39Å; D46-Q49 HydrophobicContact CB-CB 4.11Å; D46-Q49 HydrophobicContact CB-CG 3.81Å; D46-Q49 PolarHBondContact O-N 3.18Å; D46-Q49 PolarHBondContact OD2-NE2 3.13Å; P47-Q49 VanDerWaalsContact C-N 3.33Å; Q49-H51 PolarHBondContact O-N 2.86Å; Q49-R52 VanDerWaalsContact O-CB 3.28Å; Q49-R52 WeakPolarHBondContact O-CB 3.37Å; Q49-R52 VanDerWaalsContact O-CG 3.25Å; Q49-R52 WeakPolarHBondContact O-CG 3.35Å; Q49-R52 PolarHBondContact O-N 3.12Å
50V82.2Confident80.1Confident74 Ų7461.3 Ų61.345%0.44831%0.312SS..THydrogen-bonded Turntrans-54.5-26.2176.1-178.70000112.6R52 L53V50-R52 PolarHBondContact O-N 3.08Å; V50-R52 VanDerWaalsContact O-N 3.12Å; V50-L53 WeakPolarHBondContact O-CB 3.47Å; V50-L53 PolarHBondContact O-N 2.97Å
51H83.6Confident80.4Confident101 Ų10162.5 Ų62.547%0.46832%0.316SS..THydrogen-bonded Turntrans-55.5-28.5174.469.8-95.3000113.4W48 Q49 L53 L54 T55W48-H51 PolarHBondContact O-CE1 3.16Å; W48-H51 PolarHBondContact O-ND1 3.24Å; Q49-H51 PolarHBondContact O-N 2.86Å; H51-L53 PolarHBondContact O-N 2.88Å; H51-L54 PolarHBondContact O-N 3.23Å; H51-T55 PolarHBondContact O-N 3.49Å; H51-T55 PolarHBondContact O-OG1 2.92Å
52R85.8Confident80.9Confident31 Ų3161.9 Ų61.912%0.11731%0.314CS..Hα-helixtrans-53.2-34.6173.7-68.6175.1177.1-71.3-12.7112.6S36 V38 L44 Q49 V50 L54 T55 H56S36-R52 PolarHBondContact O-NH1 3.02Å; V38-R52 PolarHBondContact O-NH1 3.18Å; L44-R52 HydrophobicContact CD2-CB 4.14Å; Q49-R52 VanDerWaalsContact O-CB 3.28Å; Q49-R52 WeakPolarHBondContact O-CB 3.37Å; Q49-R52 VanDerWaalsContact O-CG 3.25Å; Q49-R52 WeakPolarHBondContact O-CG 3.35Å; Q49-R52 PolarHBondContact O-N 3.12Å; V50-R52 PolarHBondContact O-N 3.08Å; V50-R52 VanDerWaalsContact O-N 3.12Å; R52-L54 PolarHBondContact O-N 2.73Å; R52-T55 WeakPolarHBondContact CA-OG1 3.32Å; R52-T55 PolarHBondContact O-N 3.02Å; R52-H56 VanDerWaalsContact O-CB 3.32Å; R52-H56 WeakPolarHBondContact O-CB 3.49Å; R52-H56 PolarHBondContact O-N 3.4Å
53L85.7Confident81.6Confident17 Ų1758.7 Ų58.79%0.08930%0.301CS..Hα-helixtrans-60.2-30.4179-161.774.7000112.3L39 L44 V50 H51 H56 L98 L102L39-L53 HydrophobicContact CD1-CD1 4.23Å; L44-L53 HydrophobicContact CD1-CD1 4.47Å; L44-L53 HydrophobicContact CD2-CB 4.38Å; V50-L53 WeakPolarHBondContact O-CB 3.47Å; V50-L53 PolarHBondContact O-N 2.97Å; H51-L53 PolarHBondContact O-N 2.88Å; L53-H56 PolarHBondContact O-CE1 3.09Å; L53-H56 PolarHBondContact O-ND1 3.21Å; L53-L98 HydrophobicContact CB-CD2 4.17Å; L53-L98 HydrophobicContact CD2-CD2 3.65Å; L53-L98 HydrophobicContact CG-CD2 3.92Å; L53-L102 HydrophobicContact CD1-CD2 4.14Å; L53-L102 HydrophobicContact CD1-CG 4.2Å; L53-L102 HydrophobicContact CD2-CD1 4.48Å; L53-L102 HydrophobicContact CD2-CD2 3.76Å; L53-L102 HydrophobicContact CD2-CG 3.84Å; L53-L102 HydrophobicContact CG-CG 4.46Å
54L86.1Confident82.5Confident74 Ų7458 Ų5839%0.38730%0.301SS..Hα-helixtrans-94.3-40.9173.3-17365000111.9H51 R52 H56 A94 A97 L98H51-L54 PolarHBondContact O-N 3.23Å; R52-L54 PolarHBondContact O-N 2.73Å; L54-H56 PolarHBondContact O-N 3.32Å; L54-A94 HydrophobicContact CD1-CB 3.95Å; L54-A97 HydrophobicContact CD1-CB 3.97Å; L54-L98 HydrophobicContact CB-CD2 4.24Å; L54-L98 HydrophobicContact CD1-CG 4.33Å
55T87.6Confident83.3Confident28 Ų2857 Ų5717%0.17230%0.297CS..Hα-helixtrans-79-14.4-173.362.20000114.7H51 R52 V57 L58 G59H51-T55 PolarHBondContact O-N 3.49Å; H51-T55 PolarHBondContact O-OG1 2.92Å; R52-T55 WeakPolarHBondContact CA-OG1 3.32Å; R52-T55 PolarHBondContact O-N 3.02Å; T55-V57 PolarHBondContact O-N 2.92Å; T55-L58 HydrophobicContact CG2-CD1 4.16Å; T55-L58 WeakPolarHBondContact O-CA 3.48Å; T55-L58 VanDerWaalsContact O-CB 3.31Å; T55-L58 WeakPolarHBondContact O-CB 3.39Å; T55-L58 PolarHBondContact O-N 3.37Å; T55-G59 PolarHBondContact O-N 3.04Å
56H87.9Confident84.2Confident0 Ų050.4 Ų50.40%026%0.263CS..THydrogen-bonded Turntrans-60-29.2174.881.3-77.5000113.1L37 L39 R52 L53 L54 L58 G59 C119 G120 Q167L37-H56 WeakPolarHBondContact O-CA 3.41Å; L37-H56 WeakPolarHBondContact O-CB 3.3Å; L39-H56 HydrophobicContact CB-CB 3.92Å; L39-H56 HydrophobicContact CD1-CB 3.96Å; R52-H56 VanDerWaalsContact O-CB 3.32Å; R52-H56 WeakPolarHBondContact O-CB 3.49Å; R52-H56 PolarHBondContact O-N 3.4Å; L53-H56 PolarHBondContact O-CE1 3.09Å; L53-H56 PolarHBondContact O-ND1 3.21Å; L54-H56 PolarHBondContact O-N 3.32Å; H56-L58 PolarHBondContact O-N 2.99Å; H56-G59 PolarHBondContact O-N 3.08Å; H56-C119 CarbonylContact O-C 3.33Å; H56-C119 VanDerWaalsContact O-CA 3.25Å; H56-C119 WeakPolarHBondContact O-CA 3.23Å; H56-C119 VanDerWaalsContact O-CB 3.25Å; H56-C119 WeakPolarHBondContact O-CB 3.42Å; H56-G120 PolarHBondContact O-N 3.24Å; H56-Q167 PolarHBondContact NE2-NE2 3.19Å; H56-Q167 VanDerWaalsContact NE2-NE2 3.19Å
57V89.2Confident84.9Confident3 Ų351.3 Ų51.32%0.01827%0.267CS..THydrogen-bonded Turntrans-70.3-23.5176.2-1680000111.1T55 A97 G120 Y121 V124T55-V57 PolarHBondContact O-N 2.92Å; V57-A97 HydrophobicContact CB-CB 4.36Å; V57-A97 HydrophobicContact CG2-CB 3.47Å; V57-A97 VanDerWaalsContact CG2-CB 3.47Å; V57-G120 CarbonylContact O-C 3.45Å; V57-Y121 HydrophobicContact CG1-CD2 3.32Å; V57-Y121 HydrophobicContact CG1-CE2 3.89Å; V57-Y121 HydrophobicContact CG1-CG 3.89Å; V57-Y121 PolarHBondContact O-N 2.88Å; V57-V124 HydrophobicContact CG1-CB 4.24Å; V57-V124 HydrophobicContact CG1-CG2 3.55Å; V57-V124 HydrophobicContact CG2-CG2 4.13Å
58L86.9Confident85.7Confident37 Ų3747.4 Ų47.419%0.19424%0.24CC..THydrogen-bonded Turntrans-89.5-16.2-178.7-45.8177.8000113.7L21 L24 M25 L28 T55 H56L21-L58 HydrophobicContact CD1-CD2 3.66Å; L24-L58 HydrophobicContact CD2-CD1 4.09Å; L24-L58 HydrophobicContact CD2-CD2 4.39Å; M25-L58 VanDerWaalsContact CE-CA 3.4Å; M25-L58 HydrophobicContact CE-CB 3.56Å; M25-L58 HydrophobicContact CE-CD2 3.65Å; M25-L58 HydrophobicContact CE-CG 4.16Å; M25-L58 WeakPolarHBondContact CE-O 3.5Å; M25-L58 HydrophobicContact SD-CB 4.44Å; L28-L58 HydrophobicContact CD1-CB 3.81Å; T55-L58 HydrophobicContact CG2-CD1 4.16Å; T55-L58 WeakPolarHBondContact O-CA 3.48Å; T55-L58 VanDerWaalsContact O-CB 3.31Å; T55-L58 WeakPolarHBondContact O-CB 3.39Å; T55-L58 PolarHBondContact O-N 3.37Å; H56-L58 PolarHBondContact O-N 2.99Å
59G84.9Confident86.5Confident0 Ų036.4 Ų36.40%020%0.199CC..  trans-88.3140.5175.400000111.4T55 H56 C119 G120T55-G59 PolarHBondContact O-N 3.04Å; H56-G59 PolarHBondContact O-N 3.08Å; G59-C119 CarbonylContact O-C 3.51Å; G59-C119 VanDerWaalsContact O-CB 3.25Å; G59-C119 WeakPolarHBondContact O-CB 3.39Å; G59-C119 PolarHBondContact O-SG 2.96Å; G59-C119 VanDerWaalsContact O-SG 3.33Å; G59-G120 WeakPolarHBondContact O-CA 3.39Å; G59-G120 PolarHBondContact O-N 3.18Å
60H86Confident87Confident10 Ų1036.3 Ų36.35%0.04620%0.199CC..  trans-129.5132.6164.9-67.585.7000108.9L66 S69 Y121H60-L66 HydrophobicContact CB-CB 4.05Å; H60-L66 HydrophobicContact CB-CD1 4.21Å; H60-L66 PolarHBondContact CD2-N 2.99Å; H60-S69 PolarHBondContact NE2-OG 3.02Å; H60-Y121 PolarHBondContact NE2-N 3.26Å
61T84.5Confident87.3Confident52 Ų5238 Ų3832%0.31921%0.206SC..SBendtrans-91.4-46.7172.737.80000110.7V38 C119 E162V38-T61 HydrophobicContact CG2-CG2 4.39Å; T61-C119 PolarHBondContact N-SG 3Å; T61-E162 VanDerWaalsContact CB-OE2 3.26Å; T61-E162 WeakPolarHBondContact CB-OE2 3.34Å; T61-E162 PolarHBondContact OG1-OE1 3.43Å; T61-E162 PolarHBondContact OG1-OE2 2.83Å
62A85Confident87.5Confident22 Ų2234.2 Ų34.218%0.18219%0.188CC..SBendtrans-93.7131.2179.700000113.5P64 G65 L66 E162A62-P64 HydrophobicContact CB-CG 4.16Å; A62-G65 PolarHBondContact O-N 2.99Å; A62-L66 PolarHBondContact O-N 3.29Å; A62-L66 VanDerWaalsContact O-N 3.12Å; A62-E162 HydrophobicContact CB-CB 4.46Å
63L87.5Confident87.6Confident86 Ų8632.7 Ų32.745%0.4518%0.183SC..Hα-helixtrans-54.7-43.2171.5-179.2146.3000114.5W29 G65 L66 L67W29-L63 HydrophobicContact CH2-CD1 3.89Å; W29-L63 HydrophobicContact CZ2-CB 4.1Å; W29-L63 HydrophobicContact CZ2-CD1 3.9Å; W29-L63 HydrophobicContact CZ2-CG 4.41Å; L63-G65 PolarHBondContact O-N 3Å; L63-L66 WeakPolarHBondContact O-CB 3.27Å; L63-L66 PolarHBondContact O-N 3.27Å; L63-L67 HydrophobicContact CD2-CD1 3.55Å; L63-L67 HydrophobicContact CD2-CG 4.02Å; L63-L67 HydrophobicContact CG-CD1 4.42Å; L63-L67 HydrophobicContact CG-CG 4.4Å; L63-L67 WeakPolarHBondContact O-CG 3.11Å; L63-L67 PolarHBondContact O-N 3.12Å
64P87.4Confident87.6Confident55 Ų5533.4 Ų33.436%0.35719%0.188SC..Hα-helixtrans-61.6-39.6176.320.8-33.1000113.2A62 L66 L67 L68A62-P64 HydrophobicContact CB-CG 4.16Å; P64-L66 PolarHBondContact O-N 2.8Å; P64-L67 PolarHBondContact O-N 2.87Å; P64-L68 WeakPolarHBondContact O-CB 3.17Å; P64-L68 PolarHBondContact O-N 3.44Å
65G86Confident87.5Confident7 Ų733.6 Ų33.67%0.07219%0.192CC..Hα-helixtrans-64.2-37.9174.900000113A62 L63 S69 S160A62-G65 PolarHBondContact O-N 2.99Å; L63-G65 PolarHBondContact O-N 3Å; G65-S69 WeakPolarHBondContact O-CB 3.24Å; G65-S69 PolarHBondContact O-N 2.83Å; G65-S69 VanDerWaalsContact O-N 3.11Å; G65-S69 PolarHBondContact O-OG 3.17Å; G65-S160 PolarHBondContact N-OG 3.44Å
66L89.9Confident87.2Confident9 Ų934.2 Ų34.25%0.04720%0.195CC..Hα-helixtrans-63.6-52.9171.8-179.973.8000111.1M25 W29 H60 A62 L63 P64 L68 S69 L70M25-L66 HydrophobicContact CB-CD1 3.7Å; W29-L66 HydrophobicContact CB-CD1 4.41Å; W29-L66 HydrophobicContact CB-CD2 3.91Å; W29-L66 HydrophobicContact CD2-CD2 3.68Å; W29-L66 HydrophobicContact CE3-CD2 4.06Å; W29-L66 HydrophobicContact CG-CD2 3.59Å; H60-L66 HydrophobicContact CB-CB 4.05Å; H60-L66 HydrophobicContact CB-CD1 4.21Å; H60-L66 PolarHBondContact CD2-N 2.99Å; A62-L66 PolarHBondContact O-N 3.29Å; A62-L66 VanDerWaalsContact O-N 3.12Å; L63-L66 WeakPolarHBondContact O-CB 3.27Å; L63-L66 PolarHBondContact O-N 3.27Å; P64-L66 PolarHBondContact O-N 2.8Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.86Å; L66-S69 WeakPolarHBondContact O-CB 3.32Å; L66-S69 PolarHBondContact O-N 3.09Å; L66-S69 VanDerWaalsContact O-N 3.08Å; L66-L70 HydrophobicContact CD1-CD1 4.21Å; L66-L70 HydrophobicContact CD1-CG 4.29Å; L66-L70 HydrophobicContact CD2-CD1 4.25Å; L66-L70 HydrophobicContact CG-CD1 3.84Å; L66-L70 HydrophobicContact CG-CG 4.25Å; L66-L70 WeakPolarHBondContact O-CG 3.38Å; L66-L70 PolarHBondContact O-N 3.46Å
67L90.3Very high87Confident101 Ų10134.2 Ų34.253%0.52920%0.195SC..Hα-helixtrans-57.9-42.3-179.6-73.4-177.1000112.1L63 P64 S69 L70 L71L63-L67 HydrophobicContact CD2-CD1 3.55Å; L63-L67 HydrophobicContact CD2-CG 4.02Å; L63-L67 HydrophobicContact CG-CD1 4.42Å; L63-L67 HydrophobicContact CG-CG 4.4Å; L63-L67 WeakPolarHBondContact O-CG 3.11Å; L63-L67 PolarHBondContact O-N 3.12Å; P64-L67 PolarHBondContact O-N 2.87Å; L67-S69 VanDerWaalsContact C-N 3.34Å; L67-S69 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 PolarHBondContact O-N 2.97Å
68L88.9Confident86.9Confident21 Ų2137.5 Ų37.511%0.1121%0.207CC..Hα-helixtrans-63.6-41176.7-169.162.2000111P64 L66 L71 L72 M122 T156P64-L68 WeakPolarHBondContact O-CB 3.17Å; P64-L68 PolarHBondContact O-N 3.44Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.86Å; L68-L71 PolarHBondContact O-N 3.11Å; L68-L72 HydrophobicContact CD1-CD1 3.79Å; L68-L72 HydrophobicContact CG-CD1 4.16Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CD1 3.27Å; L68-L72 WeakPolarHBondContact O-CD1 3.44Å; L68-L72 PolarHBondContact O-N 3.36Å; L68-M122 HydrophobicContact CB-CE 3.87Å; L68-M122 HydrophobicContact CD2-CE 3.8Å; L68-M122 HydrophobicContact CD2-SD 4.2Å; L68-M122 HydrophobicContact CG-CE 3.58Å; L68-M122 HydrophobicContact CG-SD 4.33Å; L68-T156 HydrophobicContact CD2-CG2 4.26Å
69S89.6Confident86.6Confident1 Ų141 Ų411%0.00722%0.222CC..Hα-helixtrans-65.3-41.9175.2-52.80000112.1H60 G65 L66 L67 L71 L72 L73 M122H60-S69 PolarHBondContact NE2-OG 3.02Å; G65-S69 WeakPolarHBondContact O-CB 3.24Å; G65-S69 PolarHBondContact O-N 2.83Å; G65-S69 VanDerWaalsContact O-N 3.11Å; G65-S69 PolarHBondContact O-OG 3.17Å; L66-S69 WeakPolarHBondContact O-CB 3.32Å; L66-S69 PolarHBondContact O-N 3.09Å; L66-S69 VanDerWaalsContact O-N 3.08Å; L67-S69 VanDerWaalsContact C-N 3.34Å; L67-S69 PolarHBondContact O-N 3.45Å; S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 3.06Å; S69-L72 PolarHBondContact O-N 3.01Å; S69-L73 WeakPolarHBondContact O-CG 3.39Å; S69-L73 PolarHBondContact O-N 3.11Å; S69-M122 WeakPolarHBondContact OG-CE 3.29Å
70L91.1Very high86.5Confident33 Ų3341.5 Ų41.517%0.17323%0.225CC..Hα-helixtrans-69-20.7176.4-68.1176.9000113.3M22 M25 L66 L67 P74M22-L70 HydrophobicContact CB-CD2 3.82Å; M22-L70 HydrophobicContact CE-CD2 4.19Å; M22-L70 WeakPolarHBondContact CE-O 3.42Å; M22-L70 HydrophobicContact CG-CD2 3.92Å; M25-L70 HydrophobicContact CB-CD2 4.48Å; L66-L70 HydrophobicContact CD1-CD1 4.21Å; L66-L70 HydrophobicContact CD1-CG 4.29Å; L66-L70 HydrophobicContact CD2-CD1 4.25Å; L66-L70 HydrophobicContact CG-CD1 3.84Å; L66-L70 HydrophobicContact CG-CG 4.25Å; L66-L70 WeakPolarHBondContact O-CG 3.38Å; L66-L70 PolarHBondContact O-N 3.46Å; L67-L70 PolarHBondContact O-N 3.3Å; L70-P74 WeakPolarHBondContact O-CD 3.49Å; L70-P74 WeakPolarHBondContact O-CG 3.49Å
71L89.8Confident86.5Confident111 Ų11141 Ų4158%0.58122%0.222SC*.Hα-helixtrans-86.6-34.6173.1-174.265.5000112.3L67 L68 S69 T75L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 PolarHBondContact O-N 2.97Å; L68-L71 PolarHBondContact O-N 3.11Å; S69-L71 VanDerWaalsContact C-N 3.26Å; S69-L71 PolarHBondContact O-N 3.06Å; L71-T75 WeakPolarHBondContact O-CG2 3.27Å; L71-T75 PolarHBondContact O-OG1 3.41Å
72L87.6Confident86.3Confident20 Ų2041.8 Ų41.811%0.10523%0.229CC..Hα-helixtrans-78.6-28178.7-92.169.8000113.3L68 S69 T75 L76 G77 M122 H125 L152L68-L72 HydrophobicContact CD1-CD1 3.79Å; L68-L72 HydrophobicContact CG-CD1 4.16Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CD1 3.27Å; L68-L72 WeakPolarHBondContact O-CD1 3.44Å; L68-L72 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 3.01Å; L72-T75 WeakPolarHBondContact CA-OG1 3.19Å; L72-T75 PolarHBondContact O-N 3.24Å; L72-T75 PolarHBondContact O-OG1 3.35Å; L72-L76 HydrophobicContact CB-CD1 4.37Å; L72-L76 HydrophobicContact CD2-CD1 3.91Å; L72-L76 HydrophobicContact CG-CD1 3.96Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 PolarHBondContact O-N 3.19Å; L72-G77 PolarHBondContact O-N 3.36Å; L72-M122 HydrophobicContact CD2-CE 4.45Å; L72-M122 HydrophobicContact CD2-SD 3.76Å; L72-H125 VanDerWaalsContact CB-NE2 3.32Å; L72-H125 WeakPolarHBondContact CB-NE2 3.33Å; L72-H125 HydrophobicContact CD2-CB 4.03Å; L72-L152 HydrophobicContact CD2-CD1 3.74Å; L72-L152 HydrophobicContact CD2-CD2 3.76Å; L72-L152 HydrophobicContact CD2-CG 4.43Å
73L88.3Confident85.8Confident0 Ų046.9 Ų46.90%025%0.249CC..Iπ-helixtrans-63.4-45.6176.2-78.5167.5000113.7L21 M22 S69 G77 W78 Y121L21-L73 HydrophobicContact CD2-CD1 3.88Å; L21-L73 HydrophobicContact CD2-CD2 3.55Å; L21-L73 HydrophobicContact CD2-CG 4.4Å; L21-L73 HydrophobicContact CG-CD1 4.02Å; L21-L73 HydrophobicContact CG-CD2 4.5Å; M22-L73 HydrophobicContact CG-CB 3.68Å; M22-L73 HydrophobicContact CG-CD1 3.58Å; M22-L73 HydrophobicContact CG-CG 4.25Å; M22-L73 HydrophobicContact SD-CB 3.97Å; S69-L73 WeakPolarHBondContact O-CG 3.39Å; S69-L73 PolarHBondContact O-N 3.11Å; L73-G77 CarbonylContact O-C 3.55Å; L73-G77 WeakPolarHBondContact O-CA 3.29Å; L73-G77 PolarHBondContact O-N 3.1Å; L73-W78 PolarHBondContact O-N 2.94Å; L73-Y121 HydrophobicContact CD2-CD1 4.38Å; L73-Y121 HydrophobicContact CD2-CE1 3.94Å
74P85.9Confident85.4Confident31 Ų3145.4 Ų45.420%0.20124%0.241CC..Iπ-helixtrans-68.5-29.9173.4-24.635.4000114.8M22 L70 W78M22-P74 HydrophobicContact CE-CG 3.68Å; M22-P74 HydrophobicContact SD-CG 3.67Å; L70-P74 WeakPolarHBondContact O-CD 3.49Å; L70-P74 WeakPolarHBondContact O-CG 3.49Å; P74-W78 HydrophobicContact CB-CD2 4.1Å; P74-W78 HydrophobicContact CB-CE3 3.84Å; P74-W78 HydrophobicContact CB-CH2 4.07Å; P74-W78 HydrophobicContact CB-CZ2 4.32Å; P74-W78 HydrophobicContact CB-CZ3 3.82Å; P74-W78 WeakPolarHBondContact O-CB 3.39Å
75T82.8Confident85.1Confident78 Ų7842.8 Ų42.848%0.47922%0.224SC..Iπ-helixtrans-90-39.5-173.450.50000112.9L71 L72 Q79L71-T75 WeakPolarHBondContact O-CG2 3.27Å; L71-T75 PolarHBondContact O-OG1 3.41Å; L72-T75 WeakPolarHBondContact CA-OG1 3.19Å; L72-T75 PolarHBondContact O-N 3.24Å; L72-T75 PolarHBondContact O-OG1 3.35Å; T75-Q79 WeakPolarHBondContact O-CG 3.39Å
76L82.3Confident85Confident41 Ų4142.7 Ų42.722%0.21522%0.222CC..Iπ-helixtrans-105.9-48.2179.4-57.2176.6000111.8L72 W78 Q79 Q80 L129L72-L76 HydrophobicContact CB-CD1 4.37Å; L72-L76 HydrophobicContact CD2-CD1 3.91Å; L72-L76 HydrophobicContact CG-CD1 3.96Å; L72-L76 WeakPolarHBondContact O-CB 3.49Å; L72-L76 PolarHBondContact O-N 3.19Å; L76-W78 PolarHBondContact O-N 3.15Å; L76-Q79 PolarHBondContact O-N 3.05Å; L76-Q80 PolarHBondContact O-N 3.25Å; L76-L129 HydrophobicContact CD1-CD1 3.87Å; L76-L129 HydrophobicContact CD1-CD2 4.05Å; L76-L129 HydrophobicContact CD1-CG 4.04Å; L76-L129 HydrophobicContact CD2-CD2 4.04Å
77G82.8Confident84.7Confident0 Ų043.4 Ų43.40%023%0.226CC..Iπ-helixtrans-57.8-48-177.800000112.4S18 L72 L73 Q79 Q80 E81S18-G77 PolarHBondContact OG-O 3.46Å; L72-G77 PolarHBondContact O-N 3.36Å; L73-G77 CarbonylContact O-C 3.55Å; L73-G77 WeakPolarHBondContact O-CA 3.29Å; L73-G77 PolarHBondContact O-N 3.1Å; G77-Q79 PolarHBondContact O-N 3.09Å; G77-Q80 PolarHBondContact O-N 2.87Å; G77-E81 WeakPolarHBondContact O-CB 3.45Å; G77-E81 PolarHBondContact O-N 3.21Å
78W86.7Confident84.4Confident73 Ų7341 Ų4128%0.27721%0.21SC..Hα-helixtrans-59.6-41.4175.4-71.9-7.3000113.6L14 P15 L73 P74 L76 C82L14-W78 HydrophobicContact CD2-CH2 3.69Å; L14-W78 HydrophobicContact CD2-CZ2 3.74Å; L14-W78 HydrophobicContact CD2-CZ3 4.45Å; P15-W78 HydrophobicContact CG-CB 3.94Å; P15-W78 HydrophobicContact CG-CD2 4.35Å; P15-W78 HydrophobicContact CG-CG 3.57Å; L73-W78 PolarHBondContact O-N 2.94Å; P74-W78 HydrophobicContact CB-CD2 4.1Å; P74-W78 HydrophobicContact CB-CE3 3.84Å; P74-W78 HydrophobicContact CB-CH2 4.07Å; P74-W78 HydrophobicContact CB-CZ2 4.32Å; P74-W78 HydrophobicContact CB-CZ3 3.82Å; P74-W78 WeakPolarHBondContact O-CB 3.39Å; L76-W78 PolarHBondContact O-N 3.15Å; W78-C82 WeakPolarHBondContact O-CB 3.48Å; W78-C82 PolarHBondContact O-N 3.06Å; W78-C82 PolarHBondContact O-SG 2.94Å
79Q82.4Confident84.3Confident111 Ų11140 Ų4052%0.51921%0.205SC..Hα-helixtrans-66.1-43.2178-63.5-62.1-35.300111T75 L76 G77 C82 H83T75-Q79 WeakPolarHBondContact O-CG 3.39Å; L76-Q79 PolarHBondContact O-N 3.05Å; G77-Q79 PolarHBondContact O-N 3.09Å; Q79-C82 PolarHBondContact O-N 3.41Å; Q79-H83 WeakPolarHBondContact O-CB 3.26Å; Q79-H83 PolarHBondContact O-CD2 2.86Å; Q79-H83 PolarHBondContact O-N 3.47Å
80Q82.4Confident84.2Confident10 Ų1044.7 Ų44.75%0.04723%0.229CC..Hα-helixtrans-68.6-38.5177.4-69-161-0.700113.1L76 G77 C82 H83 L84 F89 M128 E132L76-Q80 PolarHBondContact O-N 3.25Å; G77-Q80 PolarHBondContact O-N 2.87Å; Q80-C82 VanDerWaalsContact C-N 3.29Å; Q80-C82 PolarHBondContact O-N 3.36Å; Q80-H83 PolarHBondContact O-N 3.24Å; Q80-L84 WeakPolarHBondContact O-CB 3.41Å; Q80-L84 WeakPolarHBondContact O-CG 3.16Å; Q80-L84 PolarHBondContact O-N 2.86Å; Q80-F89 HydrophobicContact CB-CD2 3.98Å; Q80-F89 HydrophobicContact CB-CE2 4.2Å; Q80-M128 PolarHBondContact NE2-O 3.47Å; Q80-M128 PolarHBondContact OE1-SD 3.32Å; Q80-M128 VanDerWaalsContact OE1-SD 3.38Å; Q80-E132 WeakPolarHBondContact CG-OE1 3.33Å; Q80-E132 PolarHBondContact NE2-OE1 3.16Å
81E85.9Confident84.1Confident0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-64.8-35.6175.3-156.7178.5155.400111.4P15 L16 A17 S18 G77 G85 T86 F89P15-E81 HydrophobicContact CB-CB 4.21Å; P15-E81 HydrophobicContact CB-CG 4.13Å; L16-E81 PolarHBondContact N-OE1 2.98Å; A17-E81 PolarHBondContact N-OE1 3.29Å; A17-E81 PolarHBondContact N-OE2 3.15Å; S18-E81 VanDerWaalsContact CB-OE2 3.3Å; S18-E81 WeakPolarHBondContact CB-OE2 3.47Å; S18-E81 PolarHBondContact N-OE2 3.44Å; S18-E81 PolarHBondContact OG-OE2 2.76Å; G77-E81 WeakPolarHBondContact O-CB 3.45Å; G77-E81 PolarHBondContact O-N 3.21Å; E81-G85 CarbonylContact O-C 3.4Å; E81-G85 WeakPolarHBondContact O-CA 3.4Å; E81-G85 PolarHBondContact O-N 3.3Å; E81-T86 VanDerWaalsContact OE1-CB 3.29Å; E81-T86 WeakPolarHBondContact OE1-CB 3.17Å; E81-T86 WeakPolarHBondContact OE1-CG2 3.3Å; E81-T86 PolarHBondContact OE1-OG1 2.93Å; E81-F89 HydrophobicContact CB-CB 4.41Å; E81-F89 HydrophobicContact CB-CD1 4.35Å; E81-F89 HydrophobicContact CB-CG 4.19Å; E81-F89 HydrophobicContact CG-CB 4.15Å; E81-F89 HydrophobicContact CG-CD1 4.1Å; E81-F89 HydrophobicContact CG-CG 4.19Å
82C79.3Confident84Confident67 Ų6741 Ų4145%0.45321%0.209SC..Hα-helixtrans-68-35.8170.5-70.90000113.8W78 Q79 Q80 L214W78-C82 WeakPolarHBondContact O-CB 3.48Å; W78-C82 PolarHBondContact O-N 3.06Å; W78-C82 PolarHBondContact O-SG 2.94Å; Q79-C82 PolarHBondContact O-N 3.41Å; Q80-C82 VanDerWaalsContact C-N 3.29Å; Q80-C82 PolarHBondContact O-N 3.36Å; C82-L214 HydrophobicContact CB-CD2 4.07Å; C82-L214 WeakPolarHBondContact SG-CD2 3.49Å
83H75.9Confident84.2Confident130 Ų13040.6 Ų40.660%0.60221%0.208SC*.Hα-helixtrans-83.7-26.8-178.6-79-55.6000114.6Q79 Q80 P217Q79-H83 WeakPolarHBondContact O-CB 3.26Å; Q79-H83 PolarHBondContact O-CD2 2.86Å; Q79-H83 PolarHBondContact O-N 3.47Å; Q80-H83 PolarHBondContact O-N 3.24Å; H83-P217 WeakPolarHBondContact O-CG 3.36Å
84L77.8Confident84.3Confident54 Ų5442 Ų4228%0.28322%0.219SC..Hα-helixtrans-109.2-20.8-176.3-61.8171000113Q80 R88Q80-L84 WeakPolarHBondContact O-CB 3.41Å; Q80-L84 WeakPolarHBondContact O-CG 3.16Å; Q80-L84 PolarHBondContact O-N 2.86Å; L84-R88 HydrophobicContact CB-CB 4.23Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 WeakPolarHBondContact O-CD 3.28Å
85G81.8Confident84.5Confident1 Ų141.3 Ų41.31%0.0121%0.214CC..  trans81.4149.9-166.200000112.3E81 L87 R88 F89 L214E81-G85 CarbonylContact O-C 3.4Å; E81-G85 WeakPolarHBondContact O-CA 3.4Å; E81-G85 PolarHBondContact O-N 3.3Å; G85-L87 VanDerWaalsContact C-N 3.33Å; G85-L87 PolarHBondContact O-N 2.9Å; G85-R88 PolarHBondContact O-N 2.96Å; G85-F89 WeakPolarHBondContact O-CB 3.35Å; G85-F89 PolarHBondContact O-N 3Å; G85-L214 WeakPolarHBondContact CA-O 3.49Å
86T84.2Confident84.9Confident4 Ų437.7 Ų37.73%0.02519%0.191CC..Hα-helixtrans-54.2-43.9-170.7-620000113.5L16 A17 E81 L90 L213 L214L16-T86 HydrophobicContact CB-CG2 4.49Å; A17-T86 HydrophobicContact CB-CG2 3.7Å; E81-T86 VanDerWaalsContact OE1-CB 3.29Å; E81-T86 WeakPolarHBondContact OE1-CB 3.17Å; E81-T86 WeakPolarHBondContact OE1-CG2 3.3Å; E81-T86 PolarHBondContact OE1-OG1 2.93Å; T86-L90 WeakPolarHBondContact O-CB 3.38Å; T86-L90 PolarHBondContact O-N 3.22Å; T86-L213 HydrophobicContact CG2-CD2 3.65Å; T86-L214 PolarHBondContact N-O 3.42Å; T86-L214 PolarHBondContact OG1-N 2.93Å
87L82.8Confident85.4Confident25 Ų2535.9 Ų35.913%0.13118%0.182CC..Hα-helixtrans-73.6-37.3-176.1-64.5179.4000112.9G85 L90 H91 L193 L196 Q197G85-L87 VanDerWaalsContact C-N 3.33Å; G85-L87 PolarHBondContact O-N 2.9Å; L87-L90 PolarHBondContact O-N 3.16Å; L87-H91 WeakPolarHBondContact O-CB 3.32Å; L87-H91 PolarHBondContact O-N 3.47Å; L87-L193 HydrophobicContact CB-CD1 3.48Å; L87-L193 VanDerWaalsContact CB-CD1 3.48Å; L87-L193 HydrophobicContact CB-CG 4.22Å; L87-L193 HydrophobicContact CD1-CD1 4.12Å; L87-L193 HydrophobicContact CD1-CG 4.2Å; L87-L193 HydrophobicContact CG-CD1 4.46Å; L87-L196 HydrophobicContact CD1-CB 4.33Å; L87-L196 HydrophobicContact CD1-CD2 4.21Å; L87-L196 HydrophobicContact CD1-CG 4.4Å; L87-L196 HydrophobicContact CD2-CD2 3.9Å; L87-L196 HydrophobicContact CD2-CG 4.49Å; L87-Q197 HydrophobicContact CD1-CB 4.06Å
88R84.5Confident85.8Confident49 Ų4938.8 Ų38.819%0.18520%0.198CC..Hα-helixtrans-73-36.3177.2-62.9-178.460.6106.58.5110.9L84 G85 H91 A92 E187 E190 L193 S216L84-R88 HydrophobicContact CB-CB 4.23Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 WeakPolarHBondContact O-CD 3.28Å; G85-R88 PolarHBondContact O-N 2.96Å; R88-H91 PolarHBondContact O-N 3.39Å; R88-A92 VanDerWaalsContact O-CB 3.26Å; R88-A92 WeakPolarHBondContact O-CB 3.46Å; R88-A92 PolarHBondContact O-N 3.43Å; R88-E187 IonicContact CZ-OE1 3.69Å; R88-E187 IonicContact NH1-OE1 3.83Å; R88-E187 IonicContact NH2-OE1 3.75Å; R88-E187 PolarHBondContact NH2-OE1 2.96Å; R88-E190 IonicContact CZ-OE1 3.99Å; R88-E190 IonicContact NH1-OE1 2.78Å; R88-E190 PolarHBondContact NH1-OE1 2.65Å; R88-L193 HydrophobicContact CG-CD1 4.13Å; R88-L193 HydrophobicContact CG-CD2 3.71Å; R88-S216 WeakPolarHBondContact CD-OG 3.47Å
89F87.3Confident86Confident2 Ų235.9 Ų35.91%0.00919%0.189CC..Hα-helixtrans-60.6-48.1169.7172.2-99.6000112A17 Q80 E81 G85 H91 A92 S93 M128A17-F89 HydrophobicContact CB-CD1 3.88Å; A17-F89 HydrophobicContact CB-CE1 4.13Å; Q80-F89 HydrophobicContact CB-CD2 3.98Å; Q80-F89 HydrophobicContact CB-CE2 4.2Å; E81-F89 HydrophobicContact CB-CB 4.41Å; E81-F89 HydrophobicContact CB-CD1 4.35Å; E81-F89 HydrophobicContact CB-CG 4.19Å; E81-F89 HydrophobicContact CG-CB 4.15Å; E81-F89 HydrophobicContact CG-CD1 4.1Å; E81-F89 HydrophobicContact CG-CG 4.19Å; G85-F89 WeakPolarHBondContact O-CB 3.35Å; G85-F89 PolarHBondContact O-N 3Å; F89-H91 VanDerWaalsContact C-N 3.34Å; F89-H91 PolarHBondContact O-N 2.93Å; F89-A92 PolarHBondContact O-N 3.48Å; F89-S93 WeakPolarHBondContact O-CB 3.43Å; F89-S93 PolarHBondContact O-N 2.98Å; F89-S93 PolarHBondContact O-OG 3.23Å; F89-M128 HydrophobicContact CD2-SD 4.33Å; F89-M128 HydrophobicContact CE2-CE 4.22Å; F89-M128 HydrophobicContact CE2-SD 3.69Å; F89-M128 HydrophobicContact CZ-SD 4.46Å
90L87.7Confident86.5Confident98 Ų9830.6 Ų30.651%0.51316%0.164SC..Hα-helixtrans-62.2-41.3177.9-171.667.6000111.7T86 L87 S93 A94T86-L90 WeakPolarHBondContact O-CB 3.38Å; T86-L90 PolarHBondContact O-N 3.22Å; L87-L90 PolarHBondContact O-N 3.16Å; L90-S93 WeakPolarHBondContact CA-OG 3.47Å; L90-S93 PolarHBondContact O-OG 3.21Å; L90-A94 WeakPolarHBondContact O-CB 3.5Å; L90-A94 PolarHBondContact O-N 2.98Å
91H88.2Confident86.8Confident62 Ų6230.1 Ų30.129%0.28716%0.162SC..Hα-helixtrans-66.3-45176.2-173.882.7000112.8L87 R88 F89 A94 L95 L186L87-H91 WeakPolarHBondContact O-CB 3.32Å; L87-H91 PolarHBondContact O-N 3.47Å; R88-H91 PolarHBondContact O-N 3.39Å; F89-H91 VanDerWaalsContact C-N 3.34Å; F89-H91 PolarHBondContact O-N 2.93Å; H91-A94 PolarHBondContact O-N 2.78Å; H91-L95 VanDerWaalsContact NE2-CD1 3.33Å; H91-L95 WeakPolarHBondContact NE2-CD1 3.38Å; H91-L95 WeakPolarHBondContact O-CG 3.19Å; H91-L95 PolarHBondContact O-N 3.46Å; H91-L186 PolarHBondContact CE1-O 3.45Å; H91-L186 PolarHBondContact NE2-O 2.82Å
92A88.3Confident87Confident6 Ų634.5 Ų34.55%0.0519%0.185CC..Hα-helixtrans-63-46177.500000111.5R88 F89 A94 L95 L96R88-A92 VanDerWaalsContact O-CB 3.26Å; R88-A92 WeakPolarHBondContact O-CB 3.46Å; R88-A92 PolarHBondContact O-N 3.43Å; F89-A92 PolarHBondContact O-N 3.48Å; A92-A94 VanDerWaalsContact C-N 3.33Å; A92-A94 PolarHBondContact O-N 2.78Å; A92-L95 PolarHBondContact O-N 2.86Å; A92-L96 WeakPolarHBondContact O-CB 3.42Å; A92-L96 VanDerWaalsContact O-CG 3.25Å; A92-L96 WeakPolarHBondContact O-CG 3.26Å; A92-L96 PolarHBondContact O-N 3.33Å
93S90.4Very high87.6Confident11 Ų1133.6 Ų33.68%0.07718%0.175CC..Hα-helixtrans-61.2-39.5176.263.60000112.3F89 L90 A97 Y121F89-S93 WeakPolarHBondContact O-CB 3.43Å; F89-S93 PolarHBondContact O-N 2.98Å; F89-S93 PolarHBondContact O-OG 3.23Å; L90-S93 WeakPolarHBondContact CA-OG 3.47Å; L90-S93 PolarHBondContact O-OG 3.21Å; S93-A97 VanDerWaalsContact O-CB 3.22Å; S93-A97 WeakPolarHBondContact O-CB 3.26Å; S93-A97 PolarHBondContact O-N 3.48Å; S93-Y121 VanDerWaalsContact CB-OH 3.29Å; S93-Y121 WeakPolarHBondContact CB-OH 3.37Å
94A90.8Very high88.2Confident29 Ų2927.4 Ų27.424%0.2415%0.147CC..Hα-helixtrans-66.1-42.1173.400000113.1L54 L90 H91 A92 A97 L98L54-A94 HydrophobicContact CD1-CB 3.95Å; L90-A94 WeakPolarHBondContact O-CB 3.5Å; L90-A94 PolarHBondContact O-N 2.98Å; H91-A94 PolarHBondContact O-N 2.78Å; A92-A94 VanDerWaalsContact C-N 3.33Å; A92-A94 PolarHBondContact O-N 2.78Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 3.3Å; A94-L98 VanDerWaalsContact O-CG 3.26Å; A94-L98 WeakPolarHBondContact O-CG 3.46Å; A94-L98 PolarHBondContact O-N 2.94Å
95L90.8Very high88.8Confident17 Ų1726.4 Ų26.49%0.08914%0.143CC..Hα-helixtrans-63.3-43.7174.9-76.4-176.3000111.9H91 A92 L98 A99 Y178 F183 L186H91-L95 VanDerWaalsContact NE2-CD1 3.33Å; H91-L95 WeakPolarHBondContact NE2-CD1 3.38Å; H91-L95 WeakPolarHBondContact O-CG 3.19Å; H91-L95 PolarHBondContact O-N 3.46Å; A92-L95 PolarHBondContact O-N 2.86Å; L95-L98 PolarHBondContact O-N 3.05Å; L95-A99 VanDerWaalsContact O-CB 3.27Å; L95-A99 WeakPolarHBondContact O-CB 3.25Å; L95-A99 PolarHBondContact O-N 2.89Å; L95-Y178 HydrophobicContact CD1-CE2 4.47Å; L95-F183 HydrophobicContact CD1-CB 4.41Å; L95-L186 HydrophobicContact CD1-CB 4.09Å; L95-L186 HydrophobicContact CD2-CB 4.04Å; L95-L186 HydrophobicContact CD2-CD1 4.39Å; L95-L186 HydrophobicContact CD2-CD2 4.4Å
96L91.1Very high89.1Confident2 Ų231.7 Ų31.71%0.0117%0.17CC..Hα-helixtrans-69.6-34.3179.5-66.4175.1000111.9A92 S100 V124 A127 M128 Y178A92-L96 WeakPolarHBondContact O-CB 3.42Å; A92-L96 VanDerWaalsContact O-CG 3.25Å; A92-L96 WeakPolarHBondContact O-CG 3.26Å; A92-L96 PolarHBondContact O-N 3.33Å; L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.14Å; L96-S100 PolarHBondContact O-N 2.96Å; L96-S100 PolarHBondContact O-OG 2.92Å; L96-V124 HydrophobicContact CB-CG1 4.29Å; L96-A127 HydrophobicContact CB-CB 4.06Å; L96-A127 HydrophobicContact CD1-CB 3.87Å; L96-A127 HydrophobicContact CD2-CB 4Å; L96-A127 HydrophobicContact CG-CB 4.18Å; L96-M128 HydrophobicContact CD1-CB 4.46Å; L96-M128 HydrophobicContact CD1-CG 3.57Å; L96-Y178 HydrophobicContact CD2-CD2 4.19Å; L96-Y178 HydrophobicContact CD2-CG 3.97Å
97A92.3Very high89.3Confident3 Ų333.4 Ų33.43%0.02518%0.179CC..Hα-helixtrans-58.9-52.616900000111.6L54 V57 S93 A94 S100 G101 V124L54-A97 HydrophobicContact CD1-CB 3.97Å; V57-A97 HydrophobicContact CB-CB 4.36Å; V57-A97 HydrophobicContact CG2-CB 3.47Å; V57-A97 VanDerWaalsContact CG2-CB 3.47Å; S93-A97 VanDerWaalsContact O-CB 3.22Å; S93-A97 WeakPolarHBondContact O-CB 3.26Å; S93-A97 PolarHBondContact O-N 3.48Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 3.3Å; A97-S100 PolarHBondContact O-OG 2.86Å; A97-G101 PolarHBondContact O-N 2.97Å; A97-V124 HydrophobicContact CB-CG2 4.06Å
98L91.9Very high89.5Confident61 Ų6133.5 Ų33.532%0.31918%0.183SC..Hα-helixtrans-62.8-45.1178.8-68167.9000111.7L53 L54 A94 L95 G101 L102L53-L98 HydrophobicContact CB-CD2 4.17Å; L53-L98 HydrophobicContact CD2-CD2 3.65Å; L53-L98 HydrophobicContact CG-CD2 3.92Å; L54-L98 HydrophobicContact CB-CD2 4.24Å; L54-L98 HydrophobicContact CD1-CG 4.33Å; A94-L98 VanDerWaalsContact O-CG 3.26Å; A94-L98 WeakPolarHBondContact O-CG 3.46Å; A94-L98 PolarHBondContact O-N 2.94Å; L95-L98 PolarHBondContact O-N 3.05Å; L98-G101 PolarHBondContact O-N 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.32Å
99A91.3Very high89.4Confident12 Ų1234.5 Ų34.510%0.09921%0.209CC..Hα-helixtrans-65-44.5-179.200000112.7L95 L103 A174 F183L95-A99 VanDerWaalsContact O-CB 3.27Å; L95-A99 WeakPolarHBondContact O-CB 3.25Å; L95-A99 PolarHBondContact O-N 2.89Å; A99-L103 WeakPolarHBondContact O-CB 3.43Å; A99-L103 PolarHBondContact O-N 3.4Å; A99-A174 HydrophobicContact CB-CB 3.84Å; A99-F183 HydrophobicContact CB-CE1 4.24Å; A99-F183 HydrophobicContact CB-CE2 4.14Å; A99-F183 HydrophobicContact CB-CZ 3.57Å
100S91.3Very high89.4Confident0 Ų041.3 Ų41.30%025%0.245CC..Hα-helixtrans-68.2-40.4176.957.20000112L96 A97 L103 A104L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.14Å; L96-S100 PolarHBondContact O-N 2.96Å; L96-S100 PolarHBondContact O-OG 2.92Å; A97-S100 PolarHBondContact O-OG 2.86Å; S100-L103 PolarHBondContact O-N 3.03Å; S100-A104 WeakPolarHBondContact O-CB 3.4Å; S100-A104 PolarHBondContact O-N 3.28Å
101G89.8Confident89.1Confident0 Ų039.7 Ų39.70%025%0.252CS..Hα-helixtrans-63.4-43.4173.700000113.4A97 L98 A104 V105A97-G101 PolarHBondContact O-N 2.97Å; L98-G101 PolarHBondContact O-N 3.24Å; G101-A104 PolarHBondContact O-N 3.41Å; G101-V105 VanDerWaalsContact O-CG2 3.25Å; G101-V105 WeakPolarHBondContact O-CG2 3.49Å; G101-V105 PolarHBondContact O-N 2.67Å
102L90.7Very high88.9Confident91 Ų9139.4 Ų39.448%0.47626%0.255SS..Hα-helixtrans-62.1-45.3175.2-76.4169.4000111.4L53 L98 A104 V105 L106L53-L102 HydrophobicContact CD1-CD2 4.14Å; L53-L102 HydrophobicContact CD1-CG 4.2Å; L53-L102 HydrophobicContact CD2-CD1 4.48Å; L53-L102 HydrophobicContact CD2-CD2 3.76Å; L53-L102 HydrophobicContact CD2-CG 3.84Å; L53-L102 HydrophobicContact CG-CG 4.46Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 3.32Å; L102-A104 VanDerWaalsContact C-N 3.35Å; L102-A104 PolarHBondContact O-N 3.43Å; L102-V105 PolarHBondContact O-N 2.81Å; L102-L106 WeakPolarHBondContact O-CB 3.36Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.43Å
103L90.5Very high88.4Confident48 Ų4844.7 Ų44.725%0.25129%0.291SS..Hα-helixtrans-63.9-41.8179.7-170.757.1000111.2A99 S100 V105 L106 L107 C170 L173A99-L103 WeakPolarHBondContact O-CB 3.43Å; A99-L103 PolarHBondContact O-N 3.4Å; S100-L103 PolarHBondContact O-N 3.03Å; L103-V105 PolarHBondContact O-N 3Å; L103-L106 PolarHBondContact O-N 2.88Å; L103-L107 HydrophobicContact CD1-CD1 3.84Å; L103-L107 HydrophobicContact CG-CD1 3.95Å; L103-L107 WeakPolarHBondContact O-CD1 3.33Å; L103-L107 PolarHBondContact O-N 2.91Å; L103-C170 HydrophobicContact CB-CB 4.16Å; L103-C170 HydrophobicContact CD2-CB 4.09Å; L103-C170 HydrophobicContact CG-CB 4.14Å; L103-L173 HydrophobicContact CD2-CB 3.78Å; L103-L173 HydrophobicContact CD2-CD1 4.13Å
104A89.3Confident87.6Confident0 Ų045.8 Ų45.80%030%0.304CS..Hα-helixtrans-60.6-43.417400000113.3L39 S100 G101 L102 L107 A108 A115L39-A104 HydrophobicContact CD2-CB 3.86Å; S100-A104 WeakPolarHBondContact O-CB 3.4Å; S100-A104 PolarHBondContact O-N 3.28Å; G101-A104 PolarHBondContact O-N 3.41Å; L102-A104 VanDerWaalsContact C-N 3.35Å; L102-A104 PolarHBondContact O-N 3.43Å; A104-L107 PolarHBondContact O-N 3.31Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 2.88Å; A104-A115 WeakPolarHBondContact CB-O 3.31Å
105V89.2Confident86.8Confident34 Ų3444.4 Ų44.421%0.20629%0.292CS..Hα-helixtrans-67.6-38.6176.5172.20000111.4L39 L44 G101 L102 L103 A108 G109L39-V105 HydrophobicContact CD1-CG2 4.46Å; L39-V105 HydrophobicContact CD2-CG2 3.92Å; L39-V105 HydrophobicContact CG-CG2 4.06Å; L44-V105 HydrophobicContact CD1-CG1 4.3Å; L44-V105 HydrophobicContact CD1-CG2 3.43Å; L44-V105 VanDerWaalsContact CD1-CG2 3.43Å; G101-V105 VanDerWaalsContact O-CG2 3.25Å; G101-V105 WeakPolarHBondContact O-CG2 3.49Å; G101-V105 PolarHBondContact O-N 2.67Å; L102-V105 PolarHBondContact O-N 2.81Å; L103-V105 PolarHBondContact O-N 3Å; V105-A108 PolarHBondContact O-N 3.45Å; V105-G109 PolarHBondContact O-N 3.35Å
106L88.8Confident85.9Confident112 Ų11244.6 Ų44.659%0.58630%0.296SS*.Hα-helixtrans-62.1-46.2173.5-74.3166.6000111.4L102 L103 A108 G109 L110L102-L106 WeakPolarHBondContact O-CB 3.36Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.43Å; L103-L106 PolarHBondContact O-N 2.88Å; L106-A108 VanDerWaalsContact C-N 3.35Å; L106-A108 PolarHBondContact O-N 3.02Å; L106-G109 PolarHBondContact O-N 3.35Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.31Å; L106-L110 PolarHBondContact O-N 2.99Å
107L88.6Confident85.1Confident40 Ų4046.7 Ų46.721%0.20932%0.319CS..Hα-helixtrans-62.2-40.7174.9-90.488.6000112.1L103 A104 L110 G111 V112 A115L103-L107 HydrophobicContact CD1-CD1 3.84Å; L103-L107 HydrophobicContact CG-CD1 3.95Å; L103-L107 WeakPolarHBondContact O-CD1 3.33Å; L103-L107 PolarHBondContact O-N 2.91Å; A104-L107 PolarHBondContact O-N 3.31Å; L107-L110 PolarHBondContact O-N 2.91Å; L107-G111 PolarHBondContact O-N 3.02Å; L107-V112 HydrophobicContact CB-CB 4.23Å; L107-V112 HydrophobicContact CB-CG2 4.4Å; L107-V112 HydrophobicContact CD2-CG1 4.4Å; L107-V112 HydrophobicContact CD2-CG2 4.49Å; L107-V112 VanDerWaalsContact O-CB 3.29Å; L107-V112 WeakPolarHBondContact O-CB 3.46Å; L107-V112 WeakPolarHBondContact O-CG2 3.25Å; L107-V112 PolarHBondContact O-N 2.98Å; L107-A115 HydrophobicContact CB-CB 3.5Å; L107-A115 VanDerWaalsContact CB-CB 3.5Å; L107-A115 HydrophobicContact CD2-CB 4.45Å
108A86.7Confident84.4Confident26 Ų2646.7 Ų46.722%0.21532%0.319CS..Hα-helixtrans-65.3-40.8176.600000112.3P41 A104 V105 L106 L110 G111 A115 A116P41-A108 HydrophobicContact CG-CB 3.73Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 2.88Å; V105-A108 PolarHBondContact O-N 3.45Å; L106-A108 VanDerWaalsContact C-N 3.35Å; L106-A108 PolarHBondContact O-N 3.02Å; A108-L110 VanDerWaalsContact C-N 3.26Å; A108-L110 PolarHBondContact O-N 2.85Å; A108-G111 WeakPolarHBondContact O-CA 3.32Å; A108-G111 PolarHBondContact O-N 2.87Å; A108-A115 HydrophobicContact CB-CB 4.39Å; A108-A116 HydrophobicContact CB-CB 3.52Å
109G82.9Confident84.1Confident71 Ų7144.1 Ų44.173%0.73231%0.305SS*.Hα-helixtrans-65.8-25.2173.600000113.9V105 L106 G111V105-G109 PolarHBondContact O-N 3.35Å; L106-G109 PolarHBondContact O-N 3.35Å; G109-G111 PolarHBondContact O-N 3.42Å
110L86.6Confident83.9Confident144 Ų14443.6 Ų43.675%0.75430%0.302SS*.THydrogen-bonded Turntrans-79.74.9169-68169.8000113.4L106 L107 A108L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.31Å; L106-L110 PolarHBondContact O-N 2.99Å; L107-L110 PolarHBondContact O-N 2.91Å; A108-L110 VanDerWaalsContact C-N 3.26Å; A108-L110 PolarHBondContact O-N 2.85Å
111G81.5Confident83.8Confident65 Ų6543.8 Ų43.867%0.6730%0.302SS*.THydrogen-bonded Turntrans82.510.6178.700000114.9L107 A108 G109 S113L107-G111 PolarHBondContact O-N 3.02Å; A108-G111 WeakPolarHBondContact O-CA 3.32Å; A108-G111 PolarHBondContact O-N 2.87Å; G109-G111 PolarHBondContact O-N 3.42Å; G111-S113 PolarHBondContact O-N 3.05Å; G111-S113 VanDerWaalsContact O-N 3.08Å
112V84.3Confident83.9Confident56 Ų5644 Ų4434%0.33930%0.303SS..  trans-77.497.9177.6-169.80000109.7L107 A115 L166L107-V112 HydrophobicContact CB-CB 4.23Å; L107-V112 HydrophobicContact CB-CG2 4.4Å; L107-V112 HydrophobicContact CD2-CG1 4.4Å; L107-V112 HydrophobicContact CD2-CG2 4.49Å; L107-V112 VanDerWaalsContact O-CB 3.29Å; L107-V112 WeakPolarHBondContact O-CB 3.46Å; L107-V112 WeakPolarHBondContact O-CG2 3.25Å; L107-V112 PolarHBondContact O-N 2.98Å; V112-A115 HydrophobicContact CB-CB 4.4Å; V112-A115 VanDerWaalsContact O-CB 3.32Å; V112-A115 WeakPolarHBondContact O-CB 3.29Å; V112-A115 PolarHBondContact O-N 2.93Å; V112-L166 HydrophobicContact CG1-CD1 3.59Å
113S77.3Confident83.9Confident117 Ų11739.7 Ų39.782%0.81828%0.281SS*.THydrogen-bonded Turntrans-58.2138.4177.6-170.20000111.9G111 A115 L166G111-S113 PolarHBondContact O-N 3.05Å; G111-S113 VanDerWaalsContact O-N 3.08Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 3.03Å; S113-L166 WeakPolarHBondContact O-CD1 3.37Å
114G73.9Confident84Confident33 Ų3337.4 Ų37.434%0.3427%0.269SS..THydrogen-bonded Turntrans78.45.3-177.900000115.5P164G114-P164 WeakPolarHBondContact O-CB 3.3Å; G114-P164 WeakPolarHBondContact O-CG 3.39Å
115A73.4Confident84Confident0 Ų037.5 Ų37.50%027%0.269CS..SBendtrans-75.7-41.1170.900000112.6A104 L107 A108 V112 S113 L166 Q167A104-A115 WeakPolarHBondContact CB-O 3.31Å; L107-A115 HydrophobicContact CB-CB 3.5Å; L107-A115 VanDerWaalsContact CB-CB 3.5Å; L107-A115 HydrophobicContact CD2-CB 4.45Å; A108-A115 HydrophobicContact CB-CB 4.39Å; V112-A115 HydrophobicContact CB-CB 4.4Å; V112-A115 VanDerWaalsContact O-CB 3.32Å; V112-A115 WeakPolarHBondContact O-CB 3.29Å; V112-A115 PolarHBondContact O-N 2.93Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 3.03Å; A115-L166 HydrophobicContact CB-CB 4.41Å; A115-L166 HydrophobicContact CB-CD1 4.24Å; A115-Q167 PolarHBondContact O-OE1 2.92Å; A115-Q167 VanDerWaalsContact O-OE1 3.04Å
116A71.6Confident84.1Confident21 Ų2135.9 Ų35.917%0.17426%0.259CS..SBendtrans-113173.5174.300000111.3P41 A108P41-A116 HydrophobicContact CG-CB 3.47Å; P41-A116 VanDerWaalsContact CG-CB 3.47Å; A108-A116 HydrophobicContact CB-CB 3.52Å
117G74.6Confident84.2Confident46 Ų4630.5 Ų30.547%0.47423%0.232SC..SBendtrans93.418-17400000114.3V38 L39V38-G117 WeakPolarHBondContact CG1-O 3.24Å; L39-G117 WeakPolarHBondContact O-CA 3.29Å; L39-G117 PolarHBondContact O-N 3.03Å
118S79.2Confident84.3Confident4 Ų429.1 Ų29.13%0.02822%0.224CC..  trans-122.5164.8178.372.30000113.4L39 P164 Q167L39-S118 WeakPolarHBondContact CB-O 3.42Å; L39-S118 PolarHBondContact N-O 3.5Å; S118-P164 WeakPolarHBondContact OG-CD 3.45Å; S118-Q167 WeakPolarHBondContact OG-CG 3.37Å
119C83.8Confident84.3Confident6 Ų628.4 Ų28.44%0.04122%0.216CC..  trans-140.2157.4176.164.70000110.5V38 H56 G59 T61V38-C119 HydrophobicContact CG2-CB 4.17Å; H56-C119 CarbonylContact O-C 3.33Å; H56-C119 VanDerWaalsContact O-CA 3.25Å; H56-C119 WeakPolarHBondContact O-CA 3.23Å; H56-C119 VanDerWaalsContact O-CB 3.25Å; H56-C119 WeakPolarHBondContact O-CB 3.42Å; G59-C119 CarbonylContact O-C 3.51Å; G59-C119 VanDerWaalsContact O-CB 3.25Å; G59-C119 WeakPolarHBondContact O-CB 3.39Å; G59-C119 PolarHBondContact O-SG 2.96Å; G59-C119 VanDerWaalsContact O-SG 3.33Å; T61-C119 PolarHBondContact N-SG 3Å
120G88.1Confident84.5Confident2 Ų225 Ų252%0.02118%0.182CC..  trans131.9157.4171.300000114.6H56 V57 G59 M122 P123H56-G120 PolarHBondContact O-N 3.24Å; V57-G120 CarbonylContact O-C 3.45Å; G59-G120 WeakPolarHBondContact O-CA 3.39Å; G59-G120 PolarHBondContact O-N 3.18Å; G120-M122 VanDerWaalsContact C-N 3.32Å; G120-M122 PolarHBondContact O-N 3.24Å; G120-P123 VanDerWaalsContact O-CD 3.24Å; G120-P123 WeakPolarHBondContact O-CD 3.25Å
121Y89.8Confident84.2Confident4 Ų418.6 Ų18.62%0.01615%0.151CC..SBendtrans-78.1-9.5-173.6-160.7-86.5000115L21 V57 H60 L73 S93 V124 H125 M128L21-Y121 HydrophobicContact CD1-CD2 4.21Å; L21-Y121 HydrophobicContact CD1-CE2 4.16Å; L21-Y121 HydrophobicContact CD2-CD2 3.73Å; L21-Y121 HydrophobicContact CD2-CE1 4.23Å; L21-Y121 HydrophobicContact CD2-CE2 3.23Å; L21-Y121 HydrophobicContact CD2-CG 4.47Å; L21-Y121 HydrophobicContact CG-CD2 4.4Å; L21-Y121 HydrophobicContact CG-CE2 4.25Å; V57-Y121 HydrophobicContact CG1-CD2 3.32Å; V57-Y121 HydrophobicContact CG1-CE2 3.89Å; V57-Y121 HydrophobicContact CG1-CG 3.89Å; V57-Y121 PolarHBondContact O-N 2.88Å; H60-Y121 PolarHBondContact NE2-N 3.26Å; L73-Y121 HydrophobicContact CD2-CD1 4.38Å; L73-Y121 HydrophobicContact CD2-CE1 3.94Å; S93-Y121 VanDerWaalsContact CB-OH 3.29Å; S93-Y121 WeakPolarHBondContact CB-OH 3.37Å; Y121-V124 HydrophobicContact CD1-CB 4.36Å; Y121-V124 HydrophobicContact CE1-CB 4.09Å; Y121-V124 HydrophobicContact CE1-CG1 3.99Å; Y121-V124 HydrophobicContact CE2-CB 4.35Å; Y121-V124 HydrophobicContact CE2-CG1 4.17Å; Y121-V124 PolarHBondContact O-N 2.89Å; Y121-H125 AromaticContact CD1-CD2 3.54Å; Y121-H125 AromaticContact CD1-CE1 3.73Å; Y121-H125 AromaticContact CD1-CG 3.9Å; Y121-H125 AromaticContact CD1-NE2 3.41Å; Y121-H125 WeakPolarHBondContact CD1-NE2 3.1Å; Y121-H125 AromaticContact CE1-CE1 3.63Å; Y121-H125 AromaticContact CE1-ND1 3.79Å; Y121-H125 AromaticContact CE1-NE2 3.83Å; Y121-H125 PolarHBondContact O-N 3.41Å; Y121-H125 VanDerWaalsContact O-N 3.16Å; Y121-M128 HydrophobicContact CE1-CE 3.85Å
122M91.2Very high83.9Confident3 Ų317.6 Ų17.62%0.01513%0.128CC..Hα-helixtrans-60.5-39.2-173.3-15354.651.300116.2L68 S69 L72 G120 V124 H125 L126 L152 T156 P163 L168L68-M122 HydrophobicContact CB-CE 3.87Å; L68-M122 HydrophobicContact CD2-CE 3.8Å; L68-M122 HydrophobicContact CD2-SD 4.2Å; L68-M122 HydrophobicContact CG-CE 3.58Å; L68-M122 HydrophobicContact CG-SD 4.33Å; S69-M122 WeakPolarHBondContact OG-CE 3.29Å; L72-M122 HydrophobicContact CD2-CE 4.45Å; L72-M122 HydrophobicContact CD2-SD 3.76Å; G120-M122 VanDerWaalsContact C-N 3.32Å; G120-M122 PolarHBondContact O-N 3.24Å; M122-V124 PolarHBondContact O-N 3.34Å; M122-H125 PolarHBondContact O-N 3.13Å; M122-H125 HydrophobicContact SD-CB 4.25Å; M122-L126 WeakPolarHBondContact O-CB 3.32Å; M122-L126 PolarHBondContact O-N 2.87Å; M122-L152 HydrophobicContact SD-CD1 3.86Å; M122-L152 HydrophobicContact SD-CD2 4.05Å; M122-L152 HydrophobicContact SD-CG 4.24Å; M122-T156 HydrophobicContact CB-CG2 4.42Å; M122-T156 HydrophobicContact CG-CG2 3.7Å; M122-P163 HydrophobicContact CB-CG 4.28Å; M122-L168 HydrophobicContact CB-CD2 3.94Å; M122-L168 HydrophobicContact CG-CD2 3.86Å
123P90.4Very high83.1Confident2 Ų216.7 Ų16.71%0.01312%0.123CC..Hα-helixtrans-60-32.7174.3-22.134.4000112.5G120 A127 Q167 L168 G171G120-P123 VanDerWaalsContact O-CD 3.24Å; G120-P123 WeakPolarHBondContact O-CD 3.25Å; P123-A127 VanDerWaalsContact O-CB 3.25Å; P123-A127 WeakPolarHBondContact O-CB 3.42Å; P123-A127 PolarHBondContact O-N 3.46Å; P123-Q167 HydrophobicContact CB-CG 4.43Å; P123-Q167 HydrophobicContact CG-CG 3.56Å; P123-L168 HydrophobicContact CG-CD2 4.38Å; P123-G171 WeakPolarHBondContact O-CA 3.32Å
124V92Very high82.3Confident0 Ų016.7 Ų16.70%011%0.11CC..Hα-helixtrans-75.4-40177.8-1800000111.1V57 L96 A97 Y121 M122 L126 A127 M128V57-V124 HydrophobicContact CG1-CB 4.24Å; V57-V124 HydrophobicContact CG1-CG2 3.55Å; V57-V124 HydrophobicContact CG2-CG2 4.13Å; L96-V124 HydrophobicContact CB-CG1 4.29Å; A97-V124 HydrophobicContact CB-CG2 4.06Å; Y121-V124 HydrophobicContact CD1-CB 4.36Å; Y121-V124 HydrophobicContact CE1-CB 4.09Å; Y121-V124 HydrophobicContact CE1-CG1 3.99Å; Y121-V124 HydrophobicContact CE2-CB 4.35Å; Y121-V124 HydrophobicContact CE2-CG1 4.17Å; Y121-V124 PolarHBondContact O-N 2.89Å; M122-V124 PolarHBondContact O-N 3.34Å; V124-L126 VanDerWaalsContact C-N 3.31Å; V124-L126 PolarHBondContact O-N 2.69Å; V124-A127 PolarHBondContact O-N 3.11Å; V124-M128 HydrophobicContact CG1-CE 4.15Å; V124-M128 HydrophobicContact CG1-CG 4.31Å; V124-M128 HydrophobicContact CG1-SD 4.14Å; V124-M128 VanDerWaalsContact O-CB 3.31Å; V124-M128 WeakPolarHBondContact O-CB 3.49Å; V124-M128 VanDerWaalsContact O-CG 3.22Å; V124-M128 WeakPolarHBondContact O-CG 3.27Å; V124-M128 PolarHBondContact O-N 3.32Å
125H91.2Very high81.7Confident1 Ų121.3 Ų21.31%0.00512%0.122CC..Hα-helixtrans-56.9-45.3169.2-78.7-49.7000112.4L72 Y121 M122 M128 L129 L152L72-H125 VanDerWaalsContact CB-NE2 3.32Å; L72-H125 WeakPolarHBondContact CB-NE2 3.33Å; L72-H125 HydrophobicContact CD2-CB 4.03Å; Y121-H125 AromaticContact CD1-CD2 3.54Å; Y121-H125 AromaticContact CD1-CE1 3.73Å; Y121-H125 AromaticContact CD1-CG 3.9Å; Y121-H125 AromaticContact CD1-NE2 3.41Å; Y121-H125 WeakPolarHBondContact CD1-NE2 3.1Å; Y121-H125 AromaticContact CE1-CE1 3.63Å; Y121-H125 AromaticContact CE1-ND1 3.79Å; Y121-H125 AromaticContact CE1-NE2 3.83Å; Y121-H125 PolarHBondContact O-N 3.41Å; Y121-H125 VanDerWaalsContact O-N 3.16Å; M122-H125 PolarHBondContact O-N 3.13Å; M122-H125 HydrophobicContact SD-CB 4.25Å; H125-M128 PolarHBondContact O-N 2.94Å; H125-L129 WeakPolarHBondContact O-CG 3.47Å; H125-L129 PolarHBondContact O-N 3.45Å; H125-L152 HydrophobicContact CB-CD2 4.16Å
126L91.1Very high80.7Confident0 Ų027.3 Ų27.30%016%0.161CC..Hα-helixtrans-65.4-41.7178.9-178.255.2000111.9M122 V124 L129 A130 P149 L152 L153 L168 L172M122-L126 WeakPolarHBondContact O-CB 3.32Å; M122-L126 PolarHBondContact O-N 2.87Å; V124-L126 VanDerWaalsContact C-N 3.31Å; V124-L126 PolarHBondContact O-N 2.69Å; L126-L129 PolarHBondContact O-N 3.12Å; L126-A130 WeakPolarHBondContact O-CB 3.28Å; L126-A130 PolarHBondContact O-N 2.87Å; L126-P149 HydrophobicContact CD1-CB 3.53Å; L126-P149 WeakPolarHBondContact CD1-O 3.46Å; L126-L152 HydrophobicContact CB-CD2 4.24Å; L126-L152 HydrophobicContact CD1-CB 4.39Å; L126-L153 HydrophobicContact CD1-CB 4.44Å; L126-L153 HydrophobicContact CD2-CB 4.06Å; L126-L153 HydrophobicContact CD2-CD1 4.05Å; L126-L168 HydrophobicContact CD2-CB 3.95Å; L126-L168 HydrophobicContact CD2-CD2 4.45Å; L126-L168 VanDerWaalsContact CD2-O 3.22Å; L126-L168 WeakPolarHBondContact CD2-O 3.22Å; L126-L172 HydrophobicContact CD1-CD1 4.35Å; L126-L172 HydrophobicContact CD2-CB 4.08Å; L126-L172 HydrophobicContact CG-CB 4.1Å
127A90.9Very high80.1Confident0 Ų036.1 Ų36.10%020%0.196CC..Hα-helixtrans-62.3-4417500000112.4L96 P123 V124 A130 G131 G171 G175L96-A127 HydrophobicContact CB-CB 4.06Å; L96-A127 HydrophobicContact CD1-CB 3.87Å; L96-A127 HydrophobicContact CD2-CB 4Å; L96-A127 HydrophobicContact CG-CB 4.18Å; P123-A127 VanDerWaalsContact O-CB 3.25Å; P123-A127 WeakPolarHBondContact O-CB 3.42Å; P123-A127 PolarHBondContact O-N 3.46Å; V124-A127 PolarHBondContact O-N 3.11Å; A127-A130 PolarHBondContact O-N 3.44Å; A127-G131 PolarHBondContact O-N 3.28Å; A127-G171 WeakPolarHBondContact CA-O 3.25Å; A127-G171 WeakPolarHBondContact CB-O 3.22Å; A127-G175 VanDerWaalsContact O-CA 3.24Å; A127-G175 WeakPolarHBondContact O-CA 3.33Å
128M89.3Confident79.3Confident10 Ų1039 Ų395%0.04919%0.192CC..Hα-helixtrans-64.3-39.7177.6-76.1-173.4-47.400112.2Q80 F89 L96 Y121 V124 H125 G131 E132Q80-M128 PolarHBondContact NE2-O 3.47Å; Q80-M128 PolarHBondContact OE1-SD 3.32Å; Q80-M128 VanDerWaalsContact OE1-SD 3.38Å; F89-M128 HydrophobicContact CD2-SD 4.33Å; F89-M128 HydrophobicContact CE2-CE 4.22Å; F89-M128 HydrophobicContact CE2-SD 3.69Å; F89-M128 HydrophobicContact CZ-SD 4.46Å; L96-M128 HydrophobicContact CD1-CB 4.46Å; L96-M128 HydrophobicContact CD1-CG 3.57Å; Y121-M128 HydrophobicContact CE1-CE 3.85Å; V124-M128 HydrophobicContact CG1-CE 4.15Å; V124-M128 HydrophobicContact CG1-CG 4.31Å; V124-M128 HydrophobicContact CG1-SD 4.14Å; V124-M128 VanDerWaalsContact O-CB 3.31Å; V124-M128 WeakPolarHBondContact O-CB 3.49Å; V124-M128 VanDerWaalsContact O-CG 3.22Å; V124-M128 WeakPolarHBondContact O-CG 3.27Å; V124-M128 PolarHBondContact O-N 3.32Å; H125-M128 PolarHBondContact O-N 2.94Å; M128-G131 PolarHBondContact O-N 3.09Å; M128-E132 PolarHBondContact O-N 2.98Å
129L88.3Confident78.2Confident11 Ų1143.8 Ų43.86%0.05822%0.223CC..Hα-helixtrans-66.6-39.2172.6-76.4173.5000112.7L76 H125 L126 G131 E132 V133 P148 P149 L152L76-L129 HydrophobicContact CD1-CD1 3.87Å; L76-L129 HydrophobicContact CD1-CD2 4.05Å; L76-L129 HydrophobicContact CD1-CG 4.04Å; L76-L129 HydrophobicContact CD2-CD2 4.04Å; H125-L129 WeakPolarHBondContact O-CG 3.47Å; H125-L129 PolarHBondContact O-N 3.45Å; L126-L129 PolarHBondContact O-N 3.12Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 3.19Å; L129-E132 PolarHBondContact O-N 3.49Å; L129-V133 WeakPolarHBondContact O-CG2 3.41Å; L129-P148 HydrophobicContact CD1-CB 4.42Å; L129-P148 HydrophobicContact CD2-CB 4.4Å; L129-P149 HydrophobicContact CB-CB 4.15Å; L129-L152 HydrophobicContact CD1-CD2 3.83Å
130A86.4Confident76.3Confident1 Ų156 Ų561%0.00827%0.268CS..Hα-helixtrans-66.3-33176.900000112.4L126 A127 V133 L172 L176L126-A130 WeakPolarHBondContact O-CB 3.28Å; L126-A130 PolarHBondContact O-N 2.87Å; A127-A130 PolarHBondContact O-N 3.44Å; A130-V133 WeakPolarHBondContact O-CG2 3.49Å; A130-V133 PolarHBondContact O-N 3.46Å; A130-L172 HydrophobicContact CB-CD1 3.7Å; A130-L176 HydrophobicContact CB-CD2 4.4Å; A130-L176 HydrophobicContact CB-CG 4.33Å
131G79.4Confident75Confident9 Ų959.9 Ų59.99%0.09331%0.309CS..Hα-helixtrans-56.5-48.7168.900000112.9A127 M128 L129 V133A127-G131 PolarHBondContact O-N 3.28Å; M128-G131 PolarHBondContact O-N 3.09Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 3.19Å; G131-V133 VanDerWaalsContact C-N 3.26Å; G131-V133 PolarHBondContact O-N 2.89Å
132E76.9Confident73.7Confident44 Ų4462.4 Ų62.421%0.20633%0.33CS..Hα-helixtrans-64.9-21.4-177-75.8-174.4-17200115Q80 M128 L129 H134 H135 R138Q80-E132 WeakPolarHBondContact CG-OE1 3.33Å; Q80-E132 PolarHBondContact NE2-OE1 3.16Å; M128-E132 PolarHBondContact O-N 2.98Å; L129-E132 PolarHBondContact O-N 3.49Å; E132-H134 PolarHBondContact O-N 3.41Å; E132-H135 PolarHBondContact O-N 2.97Å; E132-R138 IonicContact OE2-CZ 2.98Å; E132-R138 IonicContact OE2-NH2 2.69Å; E132-R138 PolarHBondContact OE2-NH2 2.86Å
133V67.1Low72.7Confident37 Ų3767.9 Ų67.922%0.22436%0.359CS..THydrogen-bonded Turntrans-55.4-29-174.6-175.60000112.3L129 A130 G131 P145 W146 P149L129-V133 WeakPolarHBondContact O-CG2 3.41Å; A130-V133 WeakPolarHBondContact O-CG2 3.49Å; A130-V133 PolarHBondContact O-N 3.46Å; G131-V133 VanDerWaalsContact C-N 3.26Å; G131-V133 PolarHBondContact O-N 2.89Å; V133-P145 HydrophobicContact CG1-CB 4.47Å; V133-W146 HydrophobicContact CG1-CB 4.08Å; V133-P149 HydrophobicContact CG2-CG 4.16Å
134H60.2Low72Confident116 Ų11670.4 Ų70.454%0.53738%0.376SS..THydrogen-bonded Turntrans-94.91.1-175-61.984.2000114E132 P136 A179E132-H134 PolarHBondContact O-N 3.41Å; H134-P136 WeakPolarHBondContact O-CD 3.21Å; H134-A179 WeakPolarHBondContact ND1-CB 3.34Å
135H60.6Low71Confident130 Ų13073 Ų7360%0.60239%0.392SS*.  trans-89.9116.1179.4-72.1-38.9000112.2E132 K137E132-H135 PolarHBondContact O-N 2.97Å; H135-K137 PolarHBondContact O-N 3.49Å; H135-K137 VanDerWaalsContact O-N 3.12Å
136P53.7Low70.4Confident127 Ų12779.9 Ų79.983%0.82542%0.418SS*.SBendtrans-75.4-1.2-172.530.4-36.8000114.9H134 R138H134-P136 WeakPolarHBondContact O-CD 3.21Å; P136-R138 PolarHBondContact O-N 3.39Å
137K58.6Low70.1Confident206 Ų20682.6 Ų82.690%0.89643%0.432SS*.  trans-95.330-172.9-72.2-173.4174.5179.20114.6H135H135-K137 PolarHBondContact O-N 3.49Å; H135-K137 VanDerWaalsContact O-N 3.12Å
138R57.8Low69.8Low106 Ų10684 Ų8440%0.444%0.441SS..  trans-85.5135175.8-150.3171-154.1151.323.8111E132 P136 A142E132-R138 IonicContact OE2-CZ 2.98Å; E132-R138 IonicContact OE2-NH2 2.69Å; E132-R138 PolarHBondContact OE2-NH2 2.86Å; P136-R138 PolarHBondContact O-N 3.39Å; R138-A142 HydrophobicContact CG-CB 4.28Å
139P56.5Low69.6Low104 Ų10483.7 Ų83.768%0.67544%0.44SS*.  trans-60.5140-179.722.2-33.8000112.6G141 A142P139-G141 PolarHBondContact O-N 3.48Å; P139-G141 VanDerWaalsContact O-N 3.16Å; P139-A142 PolarHBondContact O-N 3.13Å
140R43.8Very low69.5Low262 Ų26289.7 Ų89.799%0.98946%0.462SS*.THydrogen-bonded Turntrans-61.6114.2178.4-68.6179.8179.4174.5-0109.7
141G59.9Low69.5Low85 Ų8594.4 Ų94.488%0.87649%0.486SS*.THydrogen-bonded Turntrans130.6-12.218000000115.1P139P139-G141 PolarHBondContact O-N 3.48Å; P139-G141 VanDerWaalsContact O-N 3.16Å
142A63.3Low69.8Low56 Ų5694.7 Ų94.746%0.46349%0.486SS..SBendtrans-72156.7172.600000112.5R138 P139R138-A142 HydrophobicContact CG-CB 4.28Å; P139-A142 PolarHBondContact O-N 3.13Å
143L68.4Low70.3Confident118 Ų11892.8 Ų92.862%0.61848%0.477SS*.PPolyproline II helixtrans-49.5149.8169.3-81.1144.3000111.5L147L143-L147 HydrophobicContact CD2-CD1 4.49Å; L143-L147 HydrophobicContact CD2-CD2 4.3Å
144P75.9Confident71.3Confident56 Ų5695.2 Ų95.236%0.36449%0.492SS..PPolyproline II helixtrans-51.3131.9179-24.332.7000110.6W146 L147 P148P144-W146 HydrophobicContact CB-CD2 4.39Å; P144-W146 HydrophobicContact CB-CG 4.49Å; P144-W146 HydrophobicContact CB-CZ2 4.18Å; P144-W146 PolarHBondContact O-N 2.9Å; P144-L147 HydrophobicContact CB-CB 4.33Å; P144-L147 WeakPolarHBondContact O-CB 3.38Å; P144-L147 PolarHBondContact O-N 3.4Å; P144-P148 WeakPolarHBondContact O-CD 3.4Å
145P72.6Confident72.6Confident53 Ų5392.9 Ų92.934%0.34448%0.483SS..THydrogen-bonded Turntrans-62.6-26.8-164.823.2-34.3000113.4V133V133-P145 HydrophobicContact CG1-CB 4.47Å
146W78.5Confident73.7Confident147 Ų14786.7 Ų86.756%0.55745%0.454SS*.THydrogen-bonded Turntrans-75.8-22.1175.353.5-89.1000114.1V133 P144 P149V133-W146 HydrophobicContact CG1-CB 4.08Å; P144-W146 HydrophobicContact CB-CD2 4.39Å; P144-W146 HydrophobicContact CB-CG 4.49Å; P144-W146 HydrophobicContact CB-CZ2 4.18Å; P144-W146 PolarHBondContact O-N 2.9Å; W146-P149 VanDerWaalsContact O-CD 3.28Å; W146-P149 WeakPolarHBondContact O-CD 3.42Å; W146-P149 VanDerWaalsContact O-CG 3.28Å; W146-P149 WeakPolarHBondContact O-CG 3.44Å
147L83.2Confident75.2Confident56 Ų5683 Ų8329%0.29343%0.431SS..Hα-helixtrans-70.8-43.7-172.5-168.5156.4000113.9L143 P144 W150 L151L143-L147 HydrophobicContact CD2-CD1 4.49Å; L143-L147 HydrophobicContact CD2-CD2 4.3Å; P144-L147 HydrophobicContact CB-CB 4.33Å; P144-L147 WeakPolarHBondContact O-CB 3.38Å; P144-L147 PolarHBondContact O-N 3.4Å; L147-W150 PolarHBondContact O-N 2.96Å; L147-L151 HydrophobicContact CD2-CB 4.2Å; L147-L151 HydrophobicContact CD2-CD2 4.36Å; L147-L151 WeakPolarHBondContact O-CB 3.2Å; L147-L151 PolarHBondContact O-N 3.36Å
148P85.2Confident76.4Confident30 Ų3079.6 Ų79.620%0.19542%0.421CS..Hα-helixtrans-53-46.9179.1-27.634.6000116.2L129 P144 L151 L152L129-P148 HydrophobicContact CD1-CB 4.42Å; L129-P148 HydrophobicContact CD2-CB 4.4Å; P144-P148 WeakPolarHBondContact O-CD 3.4Å; P148-L151 PolarHBondContact O-N 3.05Å; P148-L152 WeakPolarHBondContact O-CB 3.27Å; P148-L152 PolarHBondContact O-N 3.47Å
149P85.3Confident77.6Confident3 Ų379.1 Ų79.12%0.01943%0.426CS..Hα-helixtrans-65.5-40.7177.623.4-32.7000112.6L126 L129 V133 W146 L151 L152 L153 L172L126-P149 HydrophobicContact CD1-CB 3.53Å; L126-P149 WeakPolarHBondContact CD1-O 3.46Å; L129-P149 HydrophobicContact CB-CB 4.15Å; V133-P149 HydrophobicContact CG2-CG 4.16Å; W146-P149 VanDerWaalsContact O-CD 3.28Å; W146-P149 WeakPolarHBondContact O-CD 3.42Å; W146-P149 VanDerWaalsContact O-CG 3.28Å; W146-P149 WeakPolarHBondContact O-CG 3.44Å; P149-L151 PolarHBondContact O-N 3.04Å; P149-L152 PolarHBondContact O-N 3.44Å; P149-L153 WeakPolarHBondContact O-CB 3.38Å; P149-L153 PolarHBondContact O-N 2.87Å; P149-L172 HydrophobicContact CB-CD1 4.2Å
150W86.4Confident78.6Confident138 Ų13874.3 Ų74.352%0.52340%0.395SS..Hα-helixtrans-63.6-41175.1-69.3116.6000112.3L147 L153 V154 L172L147-W150 PolarHBondContact O-N 2.96Å; W150-L153 HydrophobicContact CE3-CD2 3.85Å; W150-L153 HydrophobicContact CZ3-CD2 3.83Å; W150-L153 PolarHBondContact O-N 2.72Å; W150-V154 WeakPolarHBondContact O-CG2 2.95Å; W150-V154 PolarHBondContact O-N 3Å; W150-V154 VanDerWaalsContact O-N 3.12Å; W150-L172 HydrophobicContact CE3-CD2 4.31Å; W150-L172 HydrophobicContact CH2-CD2 3.96Å; W150-L172 HydrophobicContact CZ2-CD2 4.43Å; W150-L172 HydrophobicContact CZ3-CD2 3.9Å
151L87.2Confident80Confident99 Ų9967.7 Ų67.752%0.51839%0.389SS..Hα-helixtrans-61.5-44.8175-178.363.5000111.2L147 P148 P149 V154 L155L147-L151 HydrophobicContact CD2-CB 4.2Å; L147-L151 HydrophobicContact CD2-CD2 4.36Å; L147-L151 WeakPolarHBondContact O-CB 3.2Å; L147-L151 PolarHBondContact O-N 3.36Å; P148-L151 PolarHBondContact O-N 3.05Å; P149-L151 PolarHBondContact O-N 3.04Å; L151-V154 PolarHBondContact O-N 2.86Å; L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 PolarHBondContact O-N 3.44Å
152L85.4Confident80.6Confident15 Ų1567 Ų678%0.07936%0.363CS..Hα-helixtrans-66.3-37.5178.9-173.662.5000112.6L72 M122 H125 L126 L129 P148 P149 T156L72-L152 HydrophobicContact CD2-CD1 3.74Å; L72-L152 HydrophobicContact CD2-CD2 3.76Å; L72-L152 HydrophobicContact CD2-CG 4.43Å; M122-L152 HydrophobicContact SD-CD1 3.86Å; M122-L152 HydrophobicContact SD-CD2 4.05Å; M122-L152 HydrophobicContact SD-CG 4.24Å; H125-L152 HydrophobicContact CB-CD2 4.16Å; L126-L152 HydrophobicContact CB-CD2 4.24Å; L126-L152 HydrophobicContact CD1-CB 4.39Å; L129-L152 HydrophobicContact CD1-CD2 3.83Å; P148-L152 WeakPolarHBondContact O-CB 3.27Å; P148-L152 PolarHBondContact O-N 3.47Å; P149-L152 PolarHBondContact O-N 3.44Å; L152-T156 WeakPolarHBondContact O-CB 3.42Å; L152-T156 PolarHBondContact O-N 3.43Å; L152-T156 PolarHBondContact O-OG1 3.49Å
153L87.6Confident81.1Confident4 Ų464.7 Ų64.72%0.02134%0.343CS..Hα-helixtrans-62.6-38.7175.8175.662.2000112.2L126 P149 W150 P157 F165 L168 L172L126-L153 HydrophobicContact CD1-CB 4.44Å; L126-L153 HydrophobicContact CD2-CB 4.06Å; L126-L153 HydrophobicContact CD2-CD1 4.05Å; P149-L153 WeakPolarHBondContact O-CB 3.38Å; P149-L153 PolarHBondContact O-N 2.87Å; W150-L153 HydrophobicContact CE3-CD2 3.85Å; W150-L153 HydrophobicContact CZ3-CD2 3.83Å; W150-L153 PolarHBondContact O-N 2.72Å; L153-P157 WeakPolarHBondContact O-CD 3.17Å; L153-F165 HydrophobicContact CD1-CD2 3.91Å; L153-F165 HydrophobicContact CD1-CE2 3.63Å; L153-F165 HydrophobicContact CD1-CZ 4.3Å; L153-F165 HydrophobicContact CD2-CE2 4.11Å; L153-F165 HydrophobicContact CD2-CZ 4.31Å; L153-F165 HydrophobicContact CG-CD2 4.44Å; L153-F165 HydrophobicContact CG-CE2 3.78Å; L153-F165 HydrophobicContact CG-CZ 4.46Å; L153-L168 HydrophobicContact CD1-CB 3.51Å; L153-L168 HydrophobicContact CD1-CD1 4.4Å; L153-L172 HydrophobicContact CD2-CD2 3.8Å
154V87.6Confident81.8Confident88 Ų8860.9 Ų60.953%0.53333%0.326SS..Hα-helixtrans-80.6-41.5176.3177.40000111.7W150 L151 P157 L158W150-V154 WeakPolarHBondContact O-CG2 2.95Å; W150-V154 PolarHBondContact O-N 3Å; W150-V154 VanDerWaalsContact O-N 3.12Å; L151-V154 PolarHBondContact O-N 2.86Å; V154-P157 WeakPolarHBondContact O-CD 3.25Å; V154-L158 HydrophobicContact CG1-CD1 4.44Å; V154-L158 WeakPolarHBondContact O-CD1 3.48Å
155L86.1Confident82.2Confident67 Ų6763.2 Ų63.235%0.35133%0.33SS..Hα-helixtrans-71.6-33.9-174.1-168.869.6000112.5L151 L158 L159L151-L155 WeakPolarHBondContact O-CB 3.37Å; L151-L155 PolarHBondContact O-N 3.44Å; L155-L158 PolarHBondContact O-N 2.81Å; L155-L159 HydrophobicContact CD1-CD1 3.55Å; L155-L159 HydrophobicContact CD1-CD2 4.44Å; L155-L159 HydrophobicContact CD2-CD2 4.36Å; L155-L159 HydrophobicContact CG-CD1 3.9Å; L155-L159 HydrophobicContact CG-CD2 4.1Å; L155-L159 PolarHBondContact O-N 3.4Å
156T85.3Confident82.9Confident1 Ų162.8 Ų62.81%0.00633%0.325CS..Hα-helixtrans-61-52.3-177-58.30000112.5L68 M122 L152 L158 L159 S160 L168L68-T156 HydrophobicContact CD2-CG2 4.26Å; M122-T156 HydrophobicContact CB-CG2 4.42Å; M122-T156 HydrophobicContact CG-CG2 3.7Å; L152-T156 WeakPolarHBondContact O-CB 3.42Å; L152-T156 PolarHBondContact O-N 3.43Å; L152-T156 PolarHBondContact O-OG1 3.49Å; T156-L158 PolarHBondContact O-N 3.27Å; T156-L159 PolarHBondContact O-N 3.17Å; T156-S160 PolarHBondContact O-N 3.18Å; T156-L168 HydrophobicContact CG2-CD1 3.83Å; T156-L168 HydrophobicContact CG2-CD2 4.22Å
157P84.8Confident83.4Confident50 Ų5055.9 Ų55.933%0.32530%0.298SS..Hα-helixtrans-65.1-23176.7-22.735.7000114.3L153 V154 S160 F165 L168L153-P157 WeakPolarHBondContact O-CD 3.17Å; V154-P157 WeakPolarHBondContact O-CD 3.25Å; P157-S160 WeakPolarHBondContact CA-O 3.32Å; P157-F165 HydrophobicContact CG-CD2 4.47Å; P157-L168 HydrophobicContact CG-CD1 3.8Å
158L84.6Confident83.8Confident133 Ų13353.2 Ų53.270%0.69629%0.285SS*.Hα-helixtrans-75.3-33.2175-97.772.9000112.4V154 L155 T156V154-L158 HydrophobicContact CG1-CD1 4.44Å; V154-L158 WeakPolarHBondContact O-CD1 3.48Å; L155-L158 PolarHBondContact O-N 2.81Å; T156-L158 PolarHBondContact O-N 3.27Å
159L81.9Confident84.1Confident96 Ų9654.4 Ų54.450%0.50329%0.289SS..Hα-helixtrans-95.1-21.7-178.4-90.458.3000113.4L155 T156L155-L159 HydrophobicContact CD1-CD1 3.55Å; L155-L159 HydrophobicContact CD1-CD2 4.44Å; L155-L159 HydrophobicContact CD2-CD2 4.36Å; L155-L159 HydrophobicContact CG-CD1 3.9Å; L155-L159 HydrophobicContact CG-CD2 4.1Å; L155-L159 PolarHBondContact O-N 3.4Å; T156-L159 PolarHBondContact O-N 3.17Å
160S76.6Confident84.3Confident4 Ų454.3 Ų54.33%0.02829%0.289CS..  trans-146.4130.8-177.1-170.90000110.6G65 T156 P157 E162G65-S160 PolarHBondContact N-OG 3.44Å; T156-S160 PolarHBondContact O-N 3.18Å; P157-S160 WeakPolarHBondContact CA-O 3.32Å; S160-E162 VanDerWaalsContact CB-O 3.28Å; S160-E162 WeakPolarHBondContact CB-O 3.41Å; S160-E162 PolarHBondContact O-N 2.88Å; S160-E162 PolarHBondContact OG-O 3.48Å
161S73.5Confident84.5Confident122 Ų12247.8 Ų47.885%0.85326%0.264SS*.SBendtrans-69.2-11.4176.9-51.90000113.7
162E73Confident84.8Confident72 Ų7243.3 Ų43.334%0.33624%0.241SC..  trans-134.7142.3175-58.3-179.3119.300109.2T61 A62 S160T61-E162 VanDerWaalsContact CB-OE2 3.26Å; T61-E162 WeakPolarHBondContact CB-OE2 3.34Å; T61-E162 PolarHBondContact OG1-OE1 3.43Å; T61-E162 PolarHBondContact OG1-OE2 2.83Å; A62-E162 HydrophobicContact CB-CB 4.46Å; S160-E162 VanDerWaalsContact CB-O 3.28Å; S160-E162 WeakPolarHBondContact CB-O 3.41Å; S160-E162 PolarHBondContact O-N 2.88Å; S160-E162 PolarHBondContact OG-O 3.48Å
163P75.1Confident85.1Confident6 Ų646.6 Ų46.64%0.03926%0.258CS..SBendcis-78.2161.31.833.7-37.7000113.5M122 Q167 L168M122-P163 HydrophobicContact CB-CG 4.28Å; P163-Q167 HydrophobicContact CB-CB 4.25Å; P163-Q167 HydrophobicContact CB-CG 4.31Å; P163-L168 HydrophobicContact CG-CD2 3.8Å; P163-L168 HydrophobicContact CG-CG 4.05Å
164P81.6Confident85.3Confident39 Ų3946.6 Ų46.625%0.25326%0.258SS..  trans-65.7151.7177.729.1-34.6000111.5G114 S118 L166 Q167 L168G114-P164 WeakPolarHBondContact O-CB 3.3Å; G114-P164 WeakPolarHBondContact O-CG 3.39Å; S118-P164 WeakPolarHBondContact OG-CD 3.45Å; P164-L166 PolarHBondContact O-N 3.23Å; P164-L166 VanDerWaalsContact O-N 3.1Å; P164-Q167 HydrophobicContact CG-CB 4.03Å; P164-Q167 WeakPolarHBondContact O-CB 3.38Å; P164-Q167 PolarHBondContact O-N 2.96Å; P164-L168 PolarHBondContact O-N 3.23Å
165F85.8Confident85.4Confident104 Ų10442.4 Ų42.446%0.45623%0.233SC..Hα-helixtrans-52.4-36.2-179178-95.4000113.5L153 P157 L168 L169L153-F165 HydrophobicContact CD1-CD2 3.91Å; L153-F165 HydrophobicContact CD1-CE2 3.63Å; L153-F165 HydrophobicContact CD1-CZ 4.3Å; L153-F165 HydrophobicContact CD2-CE2 4.11Å; L153-F165 HydrophobicContact CD2-CZ 4.31Å; L153-F165 HydrophobicContact CG-CD2 4.44Å; L153-F165 HydrophobicContact CG-CE2 3.78Å; L153-F165 HydrophobicContact CG-CZ 4.46Å; P157-F165 HydrophobicContact CG-CD2 4.47Å; F165-L168 PolarHBondContact O-N 3.21Å; F165-L169 HydrophobicContact CE1-CD2 4.37Å; F165-L169 WeakPolarHBondContact O-CB 3.08Å; F165-L169 PolarHBondContact O-N 3.32Å
166L87.2Confident85.5Confident45 Ų4542.5 Ų42.524%0.23623%0.233CC..Hα-helixtrans-65-38.4178.1-68.1172.6000112.8V112 S113 A115 P164 L168 L169 C170V112-L166 HydrophobicContact CG1-CD1 3.59Å; S113-L166 WeakPolarHBondContact O-CD1 3.37Å; A115-L166 HydrophobicContact CB-CB 4.41Å; A115-L166 HydrophobicContact CB-CD1 4.24Å; P164-L166 PolarHBondContact O-N 3.23Å; P164-L166 VanDerWaalsContact O-N 3.1Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 3.38Å; L166-L169 PolarHBondContact O-N 3.12Å; L166-C170 PolarHBondContact O-N 3.12Å; L166-C170 PolarHBondContact O-SG 3.42Å
167Q88.9Confident85.7Confident1 Ų144 Ų441%0.00525%0.246CC..Hα-helixtrans-64.5-40.2175.1-172.777.34.800110.8H56 A115 S118 P123 P163 P164 C170 G171H56-Q167 PolarHBondContact NE2-NE2 3.19Å; H56-Q167 VanDerWaalsContact NE2-NE2 3.19Å; A115-Q167 PolarHBondContact O-OE1 2.92Å; A115-Q167 VanDerWaalsContact O-OE1 3.04Å; S118-Q167 WeakPolarHBondContact OG-CG 3.37Å; P123-Q167 HydrophobicContact CB-CG 4.43Å; P123-Q167 HydrophobicContact CG-CG 3.56Å; P163-Q167 HydrophobicContact CB-CB 4.25Å; P163-Q167 HydrophobicContact CB-CG 4.31Å; P164-Q167 HydrophobicContact CG-CB 4.03Å; P164-Q167 WeakPolarHBondContact O-CB 3.38Å; P164-Q167 PolarHBondContact O-N 2.96Å; Q167-C170 WeakPolarHBondContact O-CB 3.44Å; Q167-C170 PolarHBondContact O-N 3.18Å; Q167-G171 PolarHBondContact O-N 3Å
168L90.8Very high85.8Confident0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-65.4-44175-63.8171.2000111.2M122 P123 L126 L153 T156 P157 P163 P164 F165 L166 C170 G171 L172M122-L168 HydrophobicContact CB-CD2 3.94Å; M122-L168 HydrophobicContact CG-CD2 3.86Å; P123-L168 HydrophobicContact CG-CD2 4.38Å; L126-L168 HydrophobicContact CD2-CB 3.95Å; L126-L168 HydrophobicContact CD2-CD2 4.45Å; L126-L168 VanDerWaalsContact CD2-O 3.22Å; L126-L168 WeakPolarHBondContact CD2-O 3.22Å; L153-L168 HydrophobicContact CD1-CB 3.51Å; L153-L168 HydrophobicContact CD1-CD1 4.4Å; T156-L168 HydrophobicContact CG2-CD1 3.83Å; T156-L168 HydrophobicContact CG2-CD2 4.22Å; P157-L168 HydrophobicContact CG-CD1 3.8Å; P163-L168 HydrophobicContact CG-CD2 3.8Å; P163-L168 HydrophobicContact CG-CG 4.05Å; P164-L168 PolarHBondContact O-N 3.23Å; F165-L168 PolarHBondContact O-N 3.21Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-L168 PolarHBondContact O-N 3.38Å; L168-C170 VanDerWaalsContact C-N 3.28Å; L168-C170 PolarHBondContact O-N 2.8Å; L168-G171 WeakPolarHBondContact O-CA 3.25Å; L168-G171 PolarHBondContact O-N 3.05Å; L168-L172 PolarHBondContact O-N 3.17Å
169L90.6Very high85.8Confident55 Ų5540.4 Ų40.429%0.28822%0.224SC..Hα-helixtrans-60.5-38.4174.3-17562.2000111.7F165 L166 G171 L172 L173F165-L169 HydrophobicContact CE1-CD2 4.37Å; F165-L169 WeakPolarHBondContact O-CB 3.08Å; F165-L169 PolarHBondContact O-N 3.32Å; L166-L169 PolarHBondContact O-N 3.12Å; L169-G171 VanDerWaalsContact C-N 3.34Å; L169-G171 PolarHBondContact O-N 3.36Å; L169-L172 HydrophobicContact CD1-CD2 4.4Å; L169-L172 PolarHBondContact O-N 2.96Å; L169-L173 HydrophobicContact CG-CD1 4.22Å; L169-L173 WeakPolarHBondContact O-CB 3.21Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.24Å; L169-L173 PolarHBondContact O-N 2.96Å
170C90.7Very high85.9Confident2 Ų240.1 Ų40.11%0.01424%0.235CC..Hα-helixtrans-62.2-40172.5-670000112L103 L166 Q167 L168 A174L103-C170 HydrophobicContact CB-CB 4.16Å; L103-C170 HydrophobicContact CD2-CB 4.09Å; L103-C170 HydrophobicContact CG-CB 4.14Å; L166-C170 PolarHBondContact O-N 3.12Å; L166-C170 PolarHBondContact O-SG 3.42Å; Q167-C170 WeakPolarHBondContact O-CB 3.44Å; Q167-C170 PolarHBondContact O-N 3.18Å; L168-C170 VanDerWaalsContact C-N 3.28Å; L168-C170 PolarHBondContact O-N 2.8Å; C170-A174 VanDerWaalsContact O-CB 3.27Å; C170-A174 WeakPolarHBondContact O-CB 3.43Å; C170-A174 PolarHBondContact O-N 2.95Å
171G91.3Very high86.2Confident0 Ų041 Ų410%025%0.245CC..Hα-helixtrans-60.1-49.3170.900000113P123 A127 Q167 L168 L169 L173 A174 G175P123-G171 WeakPolarHBondContact O-CA 3.32Å; A127-G171 WeakPolarHBondContact CA-O 3.25Å; A127-G171 WeakPolarHBondContact CB-O 3.22Å; Q167-G171 PolarHBondContact O-N 3Å; L168-G171 WeakPolarHBondContact O-CA 3.25Å; L168-G171 PolarHBondContact O-N 3.05Å; L169-G171 VanDerWaalsContact C-N 3.34Å; L169-G171 PolarHBondContact O-N 3.36Å; G171-L173 PolarHBondContact O-N 3Å; G171-A174 PolarHBondContact O-N 3.18Å; G171-G175 PolarHBondContact O-N 3.46Å
172L92.2Very high86.4Confident6 Ų638.5 Ų38.53%0.03123%0.232CC..Hα-helixtrans-57.5-47.8177.318057.4000111.8L126 A130 P149 W150 L153 L168 L169 G175 L176L126-L172 HydrophobicContact CD1-CD1 4.35Å; L126-L172 HydrophobicContact CD2-CB 4.08Å; L126-L172 HydrophobicContact CG-CB 4.1Å; A130-L172 HydrophobicContact CB-CD1 3.7Å; P149-L172 HydrophobicContact CB-CD1 4.2Å; W150-L172 HydrophobicContact CE3-CD2 4.31Å; W150-L172 HydrophobicContact CH2-CD2 3.96Å; W150-L172 HydrophobicContact CZ2-CD2 4.43Å; W150-L172 HydrophobicContact CZ3-CD2 3.9Å; L153-L172 HydrophobicContact CD2-CD2 3.8Å; L168-L172 PolarHBondContact O-N 3.17Å; L169-L172 HydrophobicContact CD1-CD2 4.4Å; L169-L172 PolarHBondContact O-N 2.96Å; L172-G175 PolarHBondContact O-N 2.89Å; L172-L176 HydrophobicContact CD1-CD1 4.39Å; L172-L176 HydrophobicContact CD1-CG 4.48Å; L172-L176 HydrophobicContact CG-CD1 4.32Å; L172-L176 WeakPolarHBondContact O-CG 3.25Å; L172-L176 PolarHBondContact O-N 2.84Å
173L91.6Very high86.6Confident84 Ų8437.4 Ų37.444%0.4423%0.226SC..Hα-helixtrans-65-40.5178.1-69.4172.3000112.3L103 L169 G171 G175 L176 A177L103-L173 HydrophobicContact CD2-CB 3.78Å; L103-L173 HydrophobicContact CD2-CD1 4.13Å; L169-L173 HydrophobicContact CG-CD1 4.22Å; L169-L173 WeakPolarHBondContact O-CB 3.21Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.24Å; L169-L173 PolarHBondContact O-N 2.96Å; G171-L173 PolarHBondContact O-N 3Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.89Å; L173-L176 PolarHBondContact O-N 3.16Å; L173-A177 WeakPolarHBondContact O-CB 3.22Å; L173-A177 PolarHBondContact O-N 2.99Å
174A92Very high86.6Confident4 Ų446 Ų463%0.03326%0.258CS..Hα-helixtrans-62-40.6174.400000112.1A99 C170 G171 A177 Y178A99-A174 HydrophobicContact CB-CB 3.84Å; C170-A174 VanDerWaalsContact O-CB 3.27Å; C170-A174 WeakPolarHBondContact O-CB 3.43Å; C170-A174 PolarHBondContact O-N 2.95Å; G171-A174 PolarHBondContact O-N 3.18Å; A174-A177 PolarHBondContact O-N 3.2Å; A174-Y178 WeakPolarHBondContact O-CB 3.13Å; A174-Y178 PolarHBondContact O-N 2.87Å
175G89.9Confident86.4Confident0 Ų056.3 Ų56.30%029%0.292CS..Hα-helixtrans-66.5-40175.400000113.7A127 G171 L172 L173 Y178 A179A127-G175 VanDerWaalsContact O-CA 3.24Å; A127-G175 WeakPolarHBondContact O-CA 3.33Å; G171-G175 PolarHBondContact O-N 3.46Å; L172-G175 PolarHBondContact O-N 2.89Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-G175 PolarHBondContact O-N 2.89Å; G175-Y178 WeakPolarHBondContact O-CB 3.25Å; G175-Y178 PolarHBondContact O-N 2.84Å; G175-A179 PolarHBondContact O-N 3.47Å
176L88.5Confident85.9Confident69 Ų6956.1 Ų56.136%0.36130%0.295SS..Hα-helixtrans-66.5-40.5173.4-69.7172.4000112A130 L172 L173 Y178 A179 A180A130-L176 HydrophobicContact CB-CD2 4.4Å; A130-L176 HydrophobicContact CB-CG 4.33Å; L172-L176 HydrophobicContact CD1-CD1 4.39Å; L172-L176 HydrophobicContact CD1-CG 4.48Å; L172-L176 HydrophobicContact CG-CD1 4.32Å; L172-L176 WeakPolarHBondContact O-CG 3.25Å; L172-L176 PolarHBondContact O-N 2.84Å; L173-L176 PolarHBondContact O-N 3.16Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 PolarHBondContact O-N 3.21Å; L176-A179 PolarHBondContact O-N 3.41Å; L176-A180 WeakPolarHBondContact O-CB 3.31Å; L176-A180 PolarHBondContact O-N 3.05Å
177A89.4Confident85.5Confident33 Ų3358.2 Ų58.227%0.27330%0.304SS..Hα-helixtrans-63.8-36.3173.800000112L173 A174 A180 G181 A182 F183L173-A177 WeakPolarHBondContact O-CB 3.22Å; L173-A177 PolarHBondContact O-N 2.99Å; A174-A177 PolarHBondContact O-N 3.2Å; A177-A180 PolarHBondContact O-N 3.5Å; A177-G181 PolarHBondContact O-N 3.33Å; A177-A182 HydrophobicContact CB-CB 4.28Å; A177-A182 WeakPolarHBondContact O-CB 3.24Å; A177-A182 PolarHBondContact O-N 3.42Å; A177-F183 HydrophobicContact CB-CE2 4.11Å
178Y87.3Confident84.7Confident74 Ų7459.5 Ų59.529%0.2931%0.312SS..Hα-helixtrans-65.5-45.2171.9-175.6-91.9000112.1L95 L96 A174 G175 L176 A180 G181 F183L95-Y178 HydrophobicContact CD1-CE2 4.47Å; L96-Y178 HydrophobicContact CD2-CD2 4.19Å; L96-Y178 HydrophobicContact CD2-CG 3.97Å; A174-Y178 WeakPolarHBondContact O-CB 3.13Å; A174-Y178 PolarHBondContact O-N 2.87Å; G175-Y178 WeakPolarHBondContact O-CB 3.25Å; G175-Y178 PolarHBondContact O-N 2.84Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 PolarHBondContact O-N 3.21Å; Y178-A180 VanDerWaalsContact C-N 3.32Å; Y178-A180 PolarHBondContact O-N 2.99Å; Y178-G181 PolarHBondContact O-N 3.26Å; Y178-F183 HydrophobicContact CD2-CB 4.21Å; Y178-F183 AromaticContact CD2-CD2 3.92Å; Y178-F183 HydrophobicContact CD2-CD2 3.92Å; Y178-F183 HydrophobicContact CD2-CG 4.48Å; Y178-F183 HydrophobicContact CG-CD2 4.41Å
179A84.8Confident83.9Confident32 Ų3262.6 Ų62.626%0.26433%0.334SS..Hα-helixtrans-59.8-40174.500000112.9H134 G175 L176 G181H134-A179 WeakPolarHBondContact ND1-CB 3.34Å; G175-A179 PolarHBondContact O-N 3.47Å; L176-A179 PolarHBondContact O-N 3.41Å; A179-G181 PolarHBondContact O-N 3.19Å
180A84.1Confident83.1Confident90 Ų9064.3 Ų64.374%0.74434%0.341SS*.THydrogen-bonded Turntrans-70.4-4.3175.200000113.7L176 A177 Y178L176-A180 WeakPolarHBondContact O-CB 3.31Å; L176-A180 PolarHBondContact O-N 3.05Å; A177-A180 PolarHBondContact O-N 3.5Å; Y178-A180 VanDerWaalsContact C-N 3.32Å; Y178-A180 PolarHBondContact O-N 2.99Å
181G81.6Confident82.1Confident23 Ų2374.6 Ų74.624%0.23738%0.379CS..THydrogen-bonded Turntrans80.117.1177.100000115.1A177 Y178 A179 F183 R184A177-G181 PolarHBondContact O-N 3.33Å; Y178-G181 PolarHBondContact O-N 3.26Å; A179-G181 PolarHBondContact O-N 3.19Å; G181-F183 PolarHBondContact O-N 2.93Å; G181-F183 VanDerWaalsContact O-N 3.16Å; G181-R184 WeakPolarHBondContact O-CB 3.31Å; G181-R184 VanDerWaalsContact O-CG 3.25Å; G181-R184 WeakPolarHBondContact O-CG 3.25Å; G181-R184 PolarHBondContact O-N 2.94Å; G181-R184 VanDerWaalsContact O-N 3.13Å
182A78.9Confident81.2Confident69 Ų6983.6 Ų83.657%0.5741%0.413SS*.THydrogen-bonded Turntrans-58.4-29.5178.700000112.8A177A177-A182 HydrophobicContact CB-CB 4.28Å; A177-A182 WeakPolarHBondContact O-CB 3.24Å; A177-A182 PolarHBondContact O-N 3.42Å
183F76.8Confident80.2Confident50 Ų5083.9 Ų83.922%0.21941%0.414CS..THydrogen-bonded Turntrans-96.611.9-179.4-56.7-68.9000114.6L95 A99 A177 Y178 G181 W185 L186 E187L95-F183 HydrophobicContact CD1-CB 4.41Å; A99-F183 HydrophobicContact CB-CE1 4.24Å; A99-F183 HydrophobicContact CB-CE2 4.14Å; A99-F183 HydrophobicContact CB-CZ 3.57Å; A177-F183 HydrophobicContact CB-CE2 4.11Å; Y178-F183 HydrophobicContact CD2-CB 4.21Å; Y178-F183 AromaticContact CD2-CD2 3.92Å; Y178-F183 HydrophobicContact CD2-CD2 3.92Å; Y178-F183 HydrophobicContact CD2-CG 4.48Å; Y178-F183 HydrophobicContact CG-CD2 4.41Å; G181-F183 PolarHBondContact O-N 2.93Å; G181-F183 VanDerWaalsContact O-N 3.16Å; F183-W185 PolarHBondContact O-N 3.23Å; F183-W185 VanDerWaalsContact O-N 3.11Å; F183-L186 HydrophobicContact CD1-CD1 3.99Å; F183-L186 WeakPolarHBondContact O-CA 3.34Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.35Å; F183-E187 PolarHBondContact O-N 3.31Å
184R75.9Confident79.2Confident186 Ų18684.5 Ų84.570%0.70242%0.415SS*.G310 helixtrans-58.1-26.3-179.3-75.6177.673-163.71.8114.4G181 L186 E187G181-R184 WeakPolarHBondContact O-CB 3.31Å; G181-R184 VanDerWaalsContact O-CG 3.25Å; G181-R184 WeakPolarHBondContact O-CG 3.25Å; G181-R184 PolarHBondContact O-N 2.94Å; G181-R184 VanDerWaalsContact O-N 3.13Å; R184-L186 VanDerWaalsContact C-N 3.27Å; R184-L186 PolarHBondContact O-N 2.97Å; R184-E187 WeakPolarHBondContact O-CB 3.27Å; R184-E187 PolarHBondContact O-N 2.92Å
185W76.1Confident78.2Confident256 Ų25687.2 Ų87.297%0.9744%0.438SS*.G310 helixtrans-70.6-20.5173.3-85.683000114.2F183F183-W185 PolarHBondContact O-N 3.23Å; F183-W185 VanDerWaalsContact O-N 3.11Å
186L76.2Confident77.2Confident99 Ų9992.1 Ų92.152%0.51846%0.463SS..G310 helixtrans-99.43.2178.7-75.3147.9000112.1H91 L95 F183 R184H91-L186 PolarHBondContact CE1-O 3.45Å; H91-L186 PolarHBondContact NE2-O 2.82Å; L95-L186 HydrophobicContact CD1-CB 4.09Å; L95-L186 HydrophobicContact CD2-CB 4.04Å; L95-L186 HydrophobicContact CD2-CD1 4.39Å; L95-L186 HydrophobicContact CD2-CD2 4.4Å; F183-L186 HydrophobicContact CD1-CD1 3.99Å; F183-L186 WeakPolarHBondContact O-CA 3.34Å; F183-L186 WeakPolarHBondContact O-CB 3.35Å; F183-L186 PolarHBondContact O-N 3.35Å; R184-L186 VanDerWaalsContact C-N 3.27Å; R184-L186 PolarHBondContact O-N 2.97Å
187E77.5Confident76.4Confident89 Ų8992.3 Ų92.342%0.41646%0.462SS..SBendtrans-71129.3177.6-160.3172.6168.300110R88 F183 R184 S189R88-E187 IonicContact CZ-OE1 3.69Å; R88-E187 IonicContact NH1-OE1 3.83Å; R88-E187 IonicContact NH2-OE1 3.75Å; R88-E187 PolarHBondContact NH2-OE1 2.96Å; F183-E187 PolarHBondContact O-N 3.31Å; R184-E187 WeakPolarHBondContact O-CB 3.27Å; R184-E187 PolarHBondContact O-N 2.92Å; E187-S189 PolarHBondContact O-N 3.4Å
188P71.7Confident75.5Confident29 Ų2997.4 Ų97.419%0.18848%0.48CS..PPolyproline II helixtrans-72.4131.9-173.629.3-32.2000109.3L193P188-L193 HydrophobicContact CG-CD1 4.45Å
189S73.9Confident74.7Confident65 Ų6595 Ų9546%0.45548%0.479SS..PPolyproline II helixtrans-65.9140.4174.861.50000110.7E187 R191 R192 L193E187-S189 PolarHBondContact O-N 3.4Å; S189-R191 PolarHBondContact O-N 3.32Å; S189-R192 WeakPolarHBondContact O-CB 3.44Å; S189-R192 PolarHBondContact O-N 3.07Å; S189-L193 PolarHBondContact O-N 3.27Å; S189-L193 VanDerWaalsContact O-N 3.16Å
190E75.9Confident73.5Confident91 Ų9199.4 Ų99.443%0.42550%0.502SS..Hα-helixtrans-51.1-33.6-178.5-65.7-60.1147.100112.7R88 R192 L193 Q194R88-E190 IonicContact CZ-OE1 3.99Å; R88-E190 IonicContact NH1-OE1 2.78Å; R88-E190 PolarHBondContact NH1-OE1 2.65Å; E190-R192 PolarHBondContact O-N 3Å; E190-L193 WeakPolarHBondContact O-CB 3.43Å; E190-L193 PolarHBondContact O-N 3.49Å; E190-Q194 WeakPolarHBondContact O-CB 3.26Å; E190-Q194 PolarHBondContact O-N 3.35Å
191R68.4Low72.5Confident217 Ų217101.7 Ų101.782%0.81950%0.501SS*.Hα-helixtrans-61.6-38.8174.5-63-175.4-176.4179.21.3113.6S189 A195S189-R191 PolarHBondContact O-N 3.32Å; R191-A195 WeakPolarHBondContact O-CB 3.43Å; R191-A195 PolarHBondContact O-N 3.33Å; R191-A195 VanDerWaalsContact O-N 3.09Å
192R72.3Confident71.6Confident190 Ų190101.2 Ų101.272%0.71749%0.494SS*.Hα-helixtrans-73.5-36.9175.6-70.1-175.3-177.6-172.73.4111.1S189 E190 A195 L196S189-R192 WeakPolarHBondContact O-CB 3.44Å; S189-R192 PolarHBondContact O-N 3.07Å; E190-R192 PolarHBondContact O-N 3Å; R192-A195 PolarHBondContact O-N 3.48Å; R192-L196 WeakPolarHBondContact O-CB 3.39Å; R192-L196 PolarHBondContact O-N 3.31Å
193L70.9Confident70.8Confident11 Ų11100.3 Ų100.36%0.05849%0.491CS..Hα-helixtrans-62-47176.4-156.974.6000110.8L87 R88 P188 S189 E190 L196 Q197L87-L193 HydrophobicContact CB-CD1 3.48Å; L87-L193 VanDerWaalsContact CB-CD1 3.48Å; L87-L193 HydrophobicContact CB-CG 4.22Å; L87-L193 HydrophobicContact CD1-CD1 4.12Å; L87-L193 HydrophobicContact CD1-CG 4.2Å; L87-L193 HydrophobicContact CG-CD1 4.46Å; R88-L193 HydrophobicContact CG-CD1 4.13Å; R88-L193 HydrophobicContact CG-CD2 3.71Å; P188-L193 HydrophobicContact CG-CD1 4.45Å; S189-L193 PolarHBondContact O-N 3.27Å; S189-L193 VanDerWaalsContact O-N 3.16Å; E190-L193 WeakPolarHBondContact O-CB 3.43Å; E190-L193 PolarHBondContact O-N 3.49Å; L193-L196 PolarHBondContact O-N 3.42Å; L193-Q197 WeakPolarHBondContact O-CB 3.43Å; L193-Q197 PolarHBondContact O-N 3.25Å
194Q71.1Confident70.1Confident97 Ų97101.9 Ų101.945%0.45351%0.505SS..Hα-helixtrans-62.8-47.1175.8-177172.3-7.500112E190 L196 Q197 E198E190-Q194 WeakPolarHBondContact O-CB 3.26Å; E190-Q194 PolarHBondContact O-N 3.35Å; Q194-L196 PolarHBondContact O-N 2.89Å; Q194-Q197 PolarHBondContact O-N 2.91Å; Q194-Q197 VanDerWaalsContact O-N 3.12Å; Q194-E198 HydrophobicContact CG-CG 4.44Å; Q194-E198 VanDerWaalsContact CG-OE1 3.23Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.44Å; Q194-E198 PolarHBondContact NE2-OE1 3.34Å; Q194-E198 WeakPolarHBondContact O-CB 3.36Å; Q194-E198 WeakPolarHBondContact O-CG 3.48Å; Q194-E198 PolarHBondContact O-N 2.99Å
195A70.9Confident69.4Low62 Ų6295.8 Ų95.851%0.51249%0.486SS..Hα-helixtrans-61.1-32176.500000113.2R191 R192 G199R191-A195 WeakPolarHBondContact O-CB 3.43Å; R191-A195 PolarHBondContact O-N 3.33Å; R191-A195 VanDerWaalsContact O-N 3.09Å; R192-A195 PolarHBondContact O-N 3.48Å; A195-G199 PolarHBondContact O-N 2.96Å
196L69.6Low68.6Low103 Ų10386.6 Ų86.654%0.53946%0.464SS..Hα-helixtrans-75-37.2174.8-16968.9000111.9L87 R192 L193 Q194 G199 C202L87-L196 HydrophobicContact CD1-CB 4.33Å; L87-L196 HydrophobicContact CD1-CD2 4.21Å; L87-L196 HydrophobicContact CD1-CG 4.4Å; L87-L196 HydrophobicContact CD2-CD2 3.9Å; L87-L196 HydrophobicContact CD2-CG 4.49Å; R192-L196 WeakPolarHBondContact O-CB 3.39Å; R192-L196 PolarHBondContact O-N 3.31Å; L193-L196 PolarHBondContact O-N 3.42Å; Q194-L196 PolarHBondContact O-N 2.89Å; L196-G199 PolarHBondContact O-N 3.34Å; L196-C202 PolarHBondContact O-SG 3.29Å
197Q71.9Confident67.7Low73 Ų7385 Ų8534%0.34147%0.472SS..Hα-helixtrans-68-37.1175.5-176.5176.7-21.700112.4L87 L193 Q194 G199 C202L87-Q197 HydrophobicContact CD1-CB 4.06Å; L193-Q197 WeakPolarHBondContact O-CB 3.43Å; L193-Q197 PolarHBondContact O-N 3.25Å; Q194-Q197 PolarHBondContact O-N 2.91Å; Q194-Q197 VanDerWaalsContact O-N 3.12Å; Q197-G199 PolarHBondContact O-N 2.85Å; Q197-C202 VanDerWaalsContact O-CB 3.3Å; Q197-C202 WeakPolarHBondContact O-CB 3.41Å
198E69.3Low66.9Low139 Ų13983.8 Ų83.865%0.6547%0.473SS*.SBendtrans-73.9-10.8171.8-69.4172.2-168.200112.6Q194Q194-E198 HydrophobicContact CG-CG 4.44Å; Q194-E198 VanDerWaalsContact CG-OE1 3.23Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.44Å; Q194-E198 PolarHBondContact NE2-OE1 3.34Å; Q194-E198 WeakPolarHBondContact O-CB 3.36Å; Q194-E198 WeakPolarHBondContact O-CG 3.48Å; Q194-E198 PolarHBondContact O-N 2.99Å
199G70.9Confident65.9Low25 Ų2592.3 Ų92.326%0.25850%0.501SS..SBendtrans-68.3146.8178.200000113.6A195 L196 Q197 L201 C202 G203A195-G199 PolarHBondContact O-N 2.96Å; L196-G199 PolarHBondContact O-N 3.34Å; Q197-G199 PolarHBondContact O-N 2.85Å; G199-L201 PolarHBondContact O-N 3.02Å; G199-L201 VanDerWaalsContact O-N 3.08Å; G199-C202 PolarHBondContact O-N 3.41Å; G199-G203 PolarHBondContact O-N 3.39Å
200V59.3Low65.2Low124 Ų12492 Ų9275%0.75250%0.497SS*.Hα-helixtrans-54.1-34.1-176.1-1780000113G203 T204V200-G203 PolarHBondContact O-N 2.9Å; V200-T204 HydrophobicContact CG1-CG2 4.28Å; V200-T204 WeakPolarHBondContact O-CG2 3.47Å; V200-T204 PolarHBondContact O-N 3.06Å; V200-T204 PolarHBondContact O-OG1 3.37Å; V200-T204 VanDerWaalsContact O-OG1 3.04Å
201L62.5Low64.5Low138 Ų13889.7 Ų89.772%0.72349%0.488SS*.Hα-helixtrans-62.5-45.9175.3-84.3155.6000112.6G199 T204 L205G199-L201 PolarHBondContact O-N 3.02Å; G199-L201 VanDerWaalsContact O-N 3.08Å; L201-T204 PolarHBondContact O-OG1 3.21Å; L201-T204 VanDerWaalsContact O-OG1 3.09Å; L201-L205 VanDerWaalsContact O-CB 3.27Å; L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 WeakPolarHBondContact O-CD1 3.4Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.27Å; L201-L205 VanDerWaalsContact O-N 3.1Å
202C63.1Low64.6Low13 Ų1387.2 Ų87.29%0.08848%0.478CS..Hα-helixtrans-70.2-37.4175.1-71.70000111.2L196 Q197 G199 L205 A206 L213L196-C202 PolarHBondContact O-SG 3.29Å; Q197-C202 VanDerWaalsContact O-CB 3.3Å; Q197-C202 WeakPolarHBondContact O-CB 3.41Å; G199-C202 PolarHBondContact O-N 3.41Å; C202-L205 PolarHBondContact O-N 3.42Å; C202-A206 VanDerWaalsContact O-CB 3.24Å; C202-A206 WeakPolarHBondContact O-CB 3.46Å; C202-A206 PolarHBondContact O-N 2.82Å; C202-L213 HydrophobicContact CB-CD1 3.96Å; C202-L213 WeakPolarHBondContact O-CD1 3.49Å
203G63.3Low64.4Low50 Ų5079.7 Ų79.752%0.51545%0.453SS..Hα-helixtrans-60.9-43.4175.600000113.7G199 V200G199-G203 PolarHBondContact O-N 3.39Å; V200-G203 PolarHBondContact O-N 2.9Å
204T61.5Low64.2Low82 Ų8281.1 Ų81.150%0.50346%0.46SS..Hα-helixtrans-70.4-44.7176.451.90000111.7V200 L201 A206 G207 C208V200-T204 HydrophobicContact CG1-CG2 4.28Å; V200-T204 WeakPolarHBondContact O-CG2 3.47Å; V200-T204 PolarHBondContact O-N 3.06Å; V200-T204 PolarHBondContact O-OG1 3.37Å; V200-T204 VanDerWaalsContact O-OG1 3.04Å; L201-T204 PolarHBondContact O-OG1 3.21Å; L201-T204 VanDerWaalsContact O-OG1 3.09Å; T204-A206 VanDerWaalsContact C-N 3.28Å; T204-A206 PolarHBondContact O-N 3.16Å; T204-G207 PolarHBondContact O-N 3.26Å; T204-G207 VanDerWaalsContact O-N 3.11Å; T204-C208 PolarHBondContact O-SG 3.4Å; T204-C208 VanDerWaalsContact O-SG 3.36Å
205L62.2Low63.8Low59 Ų5979 Ų7931%0.30946%0.455SS..Hα-helixtrans-62.4-31.9177-74.4169.3000113L16 L201 C202 G207 C208 L213L16-L205 HydrophobicContact CD1-CB 3.79Å; L16-L205 HydrophobicContact CD1-CD2 4.15Å; L16-L205 HydrophobicContact CD1-CG 4.44Å; L16-L205 HydrophobicContact CD2-CD1 4.37Å; L201-L205 VanDerWaalsContact O-CB 3.27Å; L201-L205 WeakPolarHBondContact O-CB 3.26Å; L201-L205 WeakPolarHBondContact O-CD1 3.4Å; L201-L205 WeakPolarHBondContact O-CG 3.49Å; L201-L205 PolarHBondContact O-N 3.27Å; L201-L205 VanDerWaalsContact O-N 3.1Å; C202-L205 PolarHBondContact O-N 3.42Å; L205-G207 PolarHBondContact O-N 3.19Å; L205-C208 PolarHBondContact O-N 2.95Å; L205-L213 HydrophobicContact CB-CD1 3.82Å
206A58.9Low62.9Low62 Ų6276.6 Ų76.651%0.51243%0.434SS..THydrogen-bonded Turntrans-69.4-19.1176.100000113.7C202 T204 L213C202-A206 VanDerWaalsContact O-CB 3.24Å; C202-A206 WeakPolarHBondContact O-CB 3.46Å; C202-A206 PolarHBondContact O-N 2.82Å; T204-A206 VanDerWaalsContact C-N 3.28Å; T204-A206 PolarHBondContact O-N 3.16Å; A206-L213 HydrophobicContact CB-CD1 4.05Å
207G56.2Low62Low66 Ų6675.2 Ų75.268%0.6843%0.431SS*.THydrogen-bonded Turntrans-87.3-9.5173.600000114.6T204 L205 W209T204-G207 PolarHBondContact O-N 3.26Å; T204-G207 VanDerWaalsContact O-N 3.11Å; L205-G207 PolarHBondContact O-N 3.19Å; G207-W209 PolarHBondContact O-N 2.7Å
208C60.9Low60.8Low63 Ų6375.2 Ų75.243%0.42645%0.451SS..SBendtrans-87.582.4-172.5-68.30000113T204 L205 L211T204-C208 PolarHBondContact O-SG 3.4Å; T204-C208 VanDerWaalsContact O-SG 3.36Å; L205-C208 PolarHBondContact O-N 2.95Å; C208-L211 WeakPolarHBondContact O-CB 3.27Å; C208-L211 PolarHBondContact O-N 2.88Å
209W50.8Low59.8Low209 Ų20969.6 Ų69.679%0.79243%0.427SS*.THydrogen-bonded Turntrans-56.9134.6170-156.184000111G207G207-W209 PolarHBondContact O-N 2.7Å
210P60.1Low58.6Low57 Ų5775 Ų7537%0.3745%0.449SS..THydrogen-bonded Turncis-968.210.939.2-37.7000115.3L14L14-P210 HydrophobicContact CD1-CG 4.46Å; L14-P210 PolarHBondContact N-O 3.28Å
211L60.4Low57.8Low44 Ų4473.3 Ų73.323%0.2345%0.448CS..EExtended strand (participates in β ladder)trans-80.2139-177.2-58.4172.2000110.4L14 L16 S19 V20 C208L14-L211 HydrophobicContact CB-CD2 4.44Å; L14-L211 WeakPolarHBondContact O-CA 3.5Å; L16-L211 HydrophobicContact CB-CB 4.26Å; L16-L211 HydrophobicContact CD1-CB 3.75Å; L16-L211 HydrophobicContact CD1-CD1 4.4Å; L16-L211 HydrophobicContact CG-CB 4Å; L16-L211 HydrophobicContact CG-CD1 4.32Å; S19-L211 VanDerWaalsContact CB-CD2 3.42Å; V20-L211 HydrophobicContact CG2-CD1 4.25Å; C208-L211 WeakPolarHBondContact O-CB 3.27Å; C208-L211 PolarHBondContact O-N 2.88Å
212R70.1Confident56.8Low164 Ų16473.1 Ų73.162%0.61944%0.444SS*.EExtended strand (participates in β ladder)trans-129.2129.5175.8-161.8172.9-171.6-171.3-0110.9A13 L14 L16 L214A13-R212 HydrophobicContact CB-CB 3.91Å; L14-R212 PolarHBondContact O-N 2.96Å; L16-R212 WeakPolarHBondContact CB-O 3.36Å; L16-R212 PolarHBondContact N-O 3.33Å; L16-R212 VanDerWaalsContact N-O 3.16Å; R212-L214 HydrophobicContact CB-CD1 4.37Å; R212-L214 VanDerWaalsContact O-CD1 3.27Å; R212-L214 WeakPolarHBondContact O-CD1 3.41Å; R212-L214 PolarHBondContact O-N 3.43Å
213L68.4Low55.5Low33 Ų3378.2 Ų78.217%0.17347%0.47CS..PPolyproline II helixtrans-70.1121.7165.4-86.7150.7000108.6L16 T86 C202 L205 A206L16-L213 HydrophobicContact CD1-CG 4.19Å; T86-L213 HydrophobicContact CG2-CD2 3.65Å; C202-L213 HydrophobicContact CB-CD1 3.96Å; C202-L213 WeakPolarHBondContact O-CD1 3.49Å; L205-L213 HydrophobicContact CB-CD1 3.82Å; A206-L213 HydrophobicContact CB-CD1 4.05Å
214L66.1Low54.3Low40 Ų4081.2 Ų81.221%0.20948%0.48CS..PPolyproline II helixtrans-92.5120.2172.7-83.370000108.5P15 C82 G85 T86 R212P15-L214 HydrophobicContact CB-CD1 3.83Å; C82-L214 HydrophobicContact CB-CD2 4.07Å; C82-L214 WeakPolarHBondContact SG-CD2 3.49Å; G85-L214 WeakPolarHBondContact CA-O 3.49Å; T86-L214 PolarHBondContact N-O 3.42Å; T86-L214 PolarHBondContact OG1-N 2.93Å; R212-L214 HydrophobicContact CB-CD1 4.37Å; R212-L214 VanDerWaalsContact O-CD1 3.27Å; R212-L214 WeakPolarHBondContact O-CD1 3.41Å; R212-L214 PolarHBondContact O-N 3.43Å
215P64.4Low53.1Low53 Ų5383.3 Ų83.334%0.34449%0.492SS..PPolyproline II helixtrans-65.2156.9175.829.5-34.5000110.5
216S51.4Low52Low11 Ų1186.5 Ų86.58%0.07751%0.514CS..PPolyproline II helixtrans-63.8129.1172.7-176.50000109.7R88 G218 S219R88-S216 WeakPolarHBondContact CD-OG 3.47Å; S216-G218 PolarHBondContact O-N 2.99Å; S216-S219 WeakPolarHBondContact O-CB 3.33Å; S216-S219 PolarHBondContact O-N 3.39Å; S216-S219 PolarHBondContact O-OG 3.45Å
217P51.1Low50.8Low74 Ų7491.7 Ų91.748%0.48153%0.528SS..THydrogen-bonded Turntrans-62.7122.1176.224.7-31.6000109.5H83H83-P217 WeakPolarHBondContact O-CG 3.36Å
218G46.4Very low49.9Very low73 Ų7394.2 Ų94.275%0.75353%0.532SS*.THydrogen-bonded Turntrans100.6-1.6-171.900000115.3S216S216-G218 PolarHBondContact O-N 2.99Å
219S48.1Very low49.1Very low22 Ų2296.6 Ų96.615%0.15456%0.556CS.*  trans-63.2141.3164.268.90000110.5S216 A221 E222S216-S219 WeakPolarHBondContact O-CB 3.33Å; S216-S219 PolarHBondContact O-N 3.39Å; S216-S219 PolarHBondContact O-OG 3.45Å; S219-A221 PolarHBondContact O-N 2.73Å; S219-E222 PolarHBondContact O-N 3.48Å
220L44.6Very low48.8Very low138 Ų13890 Ų9072%0.72355%0.553SS**G310 helixtrans-58.4-10.6-173.1-91.5161.6000115.4E222 L223L220-E222 VanDerWaalsContact C-N 3.25Å; L220-E222 PolarHBondContact O-N 3.35Å; L220-L223 HydrophobicContact CD2-CD1 4.02Å
221A42.6Very low47.6Very low89 Ų8993.9 Ų93.974%0.73658%0.575SS**G310 helixtrans-72.2-14.1174.600000114S219S219-A221 PolarHBondContact O-N 2.73Å
222E42.1Very low46.4Very low134 Ų134102.4 Ų102.463%0.62661%0.605SS**G310 helixtrans-110.930.9-177.8-146169.2-140.400113.4S219 L220S219-E222 PolarHBondContact O-N 3.48Å; L220-E222 VanDerWaalsContact C-N 3.25Å; L220-E222 PolarHBondContact O-N 3.35Å
223L36.5Very low44.8Very low120 Ų12099.5 Ų99.563%0.62861%0.607SS**SBendtrans-66.6131.5154.6-76.4167.4000108.3L220 V225L220-L223 HydrophobicContact CD2-CD1 4.02Å; L223-V225 PolarHBondContact O-N 2.99Å
224P37Very low43.2Very low112 Ų112103.7 Ų103.773%0.72764%0.636SS**  trans-59.7116.3169.925.2-32.1000107.6T226P224-T226 PolarHBondContact O-N 3.5Å
225V36.5Very low41.8Very low127 Ų127108.8 Ų108.877%0.7766%0.662SS**  trans-58.6103.6175.7177.20000107.1L223 H227L223-V225 PolarHBondContact O-N 2.99Å; V225-H227 PolarHBondContact O-N 3.31Å
226T38.5Very low40.5Very low126 Ų126111.9 Ų111.977%0.77368%0.682SS**  trans-60.4112.3170.941.40000106.3P224P224-T226 PolarHBondContact O-N 3.5Å
227H35.2Very low39.5Very low171 Ų171114.9 Ų114.979%0.79272%0.715SS**  trans-50.2131.3174.6-69.5-65000108.2V225 A229V225-H227 PolarHBondContact O-N 3.31Å; H227-A229 PolarHBondContact O-N 2.96Å; H227-A229 VanDerWaalsContact O-N 3.09Å
228P37.1Very low38.3Very low118 Ų118123 Ų12377%0.76674%0.736SS**  trans-55.9123.5-178.821.6-32.4000109G230P228-G230 PolarHBondContact O-N 3.42Å
229A44.3Very low38Very low114 Ų114124.9 Ų124.994%0.94273%0.734SS**SBendtrans-63.4101.5-175.400000109.7H227H227-A229 PolarHBondContact O-N 2.96Å; H227-A229 VanDerWaalsContact O-N 3.09Å
230G44.2Very low37.1Very low70 Ų70134.3 Ų134.372%0.72277%0.768SS**  trans-172.5-8.6-173.100000118.4P228P228-G230 PolarHBondContact O-N 3.42Å
231V35.1Very low36.7Very low138 Ų138134 Ų13484%0.83677%0.772SS**  trans-127.698.3178.7-172.40000110.9P233V231-P233 WeakPolarHBondContact O-CD 3.43Å
232R34.9Very low36Very low224 Ų224134.5 Ų134.585%0.84578%0.776SS**PPolyproline II helixtrans-73.6116.6170.3170.3-172.7-93.4171.2-7.5109
233P35.9Very low35.4Very low103 Ų103133.2 Ų133.267%0.66978%0.781SS**PPolyproline II helixtrans-69.3146165.428.3-30000109.8V231V231-P233 WeakPolarHBondContact O-CD 3.43Å
234P34.8Very low35.2Very low120 Ų120133.2 Ų133.278%0.77979%0.789SS**PPolyproline II helixtrans-66.6141.9-179.728-34.3000111P236P234-P236 VanDerWaalsContact O-CD 3.32Å; P234-P236 WeakPolarHBondContact O-CD 3.46Å
235I36.8Very low34.7Very low147 Ų147134.9 Ų134.975%0.75479%0.792SS**PPolyproline II helixtrans-76.7126.4-177.7-62.8161.9000110.5
236P37.3Very low34.4Very low119 Ų119136.5 Ų136.577%0.77380%0.795SS**PPolyproline II helixtrans-95.4135.5152.5-0.222.5000109P234P234-P236 VanDerWaalsContact O-CD 3.32Å; P234-P236 WeakPolarHBondContact O-CD 3.46Å
237G29.8Very low33.8Very low74 Ų74142.9 Ų142.976%0.76381%0.805SS**PPolyproline II helixtrans-71.1152.7-172.200000115.3
238R27.3Very low33.3Very low245 Ų245139.5 Ų139.593%0.92580%0.801SS**PPolyproline II helixtrans-68.7153.8151.7-94.5-178.9176.7172.4-0.8108.8
239P38.9Very low32.7Very low111 Ų111143.3 Ų143.372%0.72181%0.808SS**  cis-144.8150.243.138.8-19.8000117.8
240Y29.4Very low31.7Very low221 Ų221144.5 Ų144.587%0.86781%0.808SS**  -165.4166.7111.4-129.8-103.8000111.8
241V37.1Very low31Very low131 Ų131150.4 Ų150.479%0.79482%0.817SS**  trans-91.5134176.4175.60000109.6
242A28.5Very low30.5Very low99 Ų99147.6 Ų147.682%0.81882%0.816SS**  trans-148.8136.8165.100000110.1
243S28.9Very low30.2Very low107 Ų107142.7 Ų142.775%0.74882%0.816SS**  trans-79165.5-176.8-65.90000113
244P32.4Very low29.7Very low121 Ų121142 Ų14279%0.78682%0.818SS**  trans-92.5109.3-176.634.3-29.6000112.4
245D27Very low29.4Very low147 Ų147144.4 Ų144.479%0.78682%0.824SS**  trans-151.2113.2164.7-83.9-53.2000109.7
246L29Very low28.8Very low161 Ų161143 Ų14384%0.84383%0.827SS**  trans-157.537.5171.1-150.6104.6000115.5
247W26.7Very low28.7Very low260 Ų260143.1 Ų143.199%0.98583%0.828SS**  trans-139.761.2168.9-80.285.3000112.2
248S24.1Very low29Very low100 Ų100146 Ų14670%0.69983%0.833SS**  trans-156.591.6167.247.70000113
249H24.8Very low28.9Very low197 Ų197137.6 Ų137.691%0.91282%0.823SS**  trans-145.395.3155.1-96.5-45.2000110.6
250C23.8Very low28.4Very low139 Ų139140.8 Ų140.894%0.93983%0.833SS**  trans-165.772153.3-117.40000108.8
251E28.9Very low28.2Very low194 Ų194141.5 Ų141.591%0.90783%0.834SS**PPolyproline II helixtrans-99.2123.7168.5-73.6-170.7131.400110
252G24.6Very low28.3Very low80 Ų80140.4 Ų140.483%0.82583%0.83SS**PPolyproline II helixtrans-101.1122.8159.700000108.6
253S28.2Very low28.2Very low121 Ų121141.9 Ų141.985%0.84683%0.829SS**PPolyproline II helixtrans-69.8146.3-164.9-41.30000115.4
254A25.9Very low28.4Very low87 Ų87145 Ų14572%0.71983%0.831SS**  -177.1123.2118.200000114.4
255L28.7Very low28.4Very low171 Ų171145 Ų14590%0.89583%0.831SS**  trans39.8118.4151.5-69.786.8000121.3
256S24.1Very low28.4Very low117 Ų117143 Ų14382%0.81883%0.825SS**  trans-78.6161152.1-460000112
257P34.2Very low28.3Very low123 Ų123146.8 Ų146.880%0.79983%0.828SS**  -136.6172.2107.430.4-13.9000113.7
258P36.2Very low28.2Very low133 Ų133142.4 Ų142.486%0.86482%0.818SS**  trans-106.1162.5-156.139.3-35.3000115.9
259G24.9Very low28.3Very low69 Ų69140.4 Ų140.471%0.71181%0.813SS**  trans134153.1150.700000116.9
260L28.7Very low28.4Very low179 Ų179136.6 Ų136.694%0.93781%0.809SS**  trans82.3107.7164.1-51.7176.9000119.1
261R25.6Very low28.6Very low236 Ų236134.7 Ų134.789%0.89180%0.797SS**  trans-52.5165.7138.9-119.2-170.6169.2175.6-3.4109.3
262P38.3Very low28.5Very low108 Ų108134.3 Ų134.370%0.70180%0.795SS**  cis-148.4-161.22627.71000116.4
263V27.3Very low28.5Very low130 Ų130135.4 Ų135.479%0.78880%0.797SS**  trans103.6120.3149.6-173.40000118.2
264Q32.6Very low28.3Very low171 Ų171133.6 Ų133.680%0.79978%0.784SS**PPolyproline II helixtrans-83.5156.8161.5-59.9163.6-64.600110.2
265P32.7Very low28.4Very low122 Ų122137.4 Ų137.479%0.79279%0.792SS**PPolyproline II helixtrans-95.7120.4147.225-11.6000110.7
266T26.8Very low28.3Very low106 Ų106135.5 Ų135.565%0.6578%0.782SS**PPolyproline II helixtrans-59.6151.3161.1280000111.8
267W26.5Very low28.4Very low240 Ų240142.1 Ų142.191%0.90979%0.79SS**  trans-144.583.2159.4-116.999.2000109.4
268E26.2Very low28.2Very low167 Ų167141.1 Ų141.178%0.7879%0.791SS**  trans-71.2134.7159.6-101.485.9-165.800109.3
269G25.6Very low28Very low58 Ų58138.6 Ų138.660%0.59879%0.789SS**  trans179.960.3-17700000117.5
270S26.2Very low28.3Very low118 Ų118138.2 Ų138.283%0.82578%0.78SS**  trans79.5105.9150.4-51.20000121.4
271S27.6Very low28.6Very low98 Ų98136.1 Ų136.169%0.68578%0.78SS**  58.5100.8127.9-62.50000122.5
272E26.7Very low29.2Very low186 Ų186132 Ų13287%0.86977%0.769SS**  50.7108107.9-62.8168.7124.300120
273A25.8Very low29.3Very low104 Ų104131.3 Ų131.386%0.8677%0.767SS**  trans-136.7116.1137.300000108.4
274S23.6Very low30Very low83 Ų83131.3 Ų131.358%0.5877%0.769SS**  trans-69141.1-175.2-173.50000112.8D276S274-D276 PolarHBondContact OG-N 3.03Å; S274-D276 PolarHBondContact OG-OD1 3.49Å; S274-D276 PolarHBondContact OG-OD2 3.43Å
275L27.9Very low30.7Very low167 Ų167126.8 Ų126.887%0.87477%0.769SS**  trans-13698.7147.1-92.6172.3000108.4W277L275-W277 PolarHBondContact O-N 2.92Å
276D27.3Very low31.6Very low130 Ų130124.9 Ų124.970%0.69576%0.755SS**  trans-66114.2-173.1-65.7-77.7000113.5S274S274-D276 PolarHBondContact OG-N 3.03Å; S274-D276 PolarHBondContact OG-OD1 3.49Å; S274-D276 PolarHBondContact OG-OD2 3.43Å
277W26.5Very low33.4Very low257 Ų257122.7 Ų122.797%0.97374%0.742SS**  trans-117.561.9156.2-79.7102.6000110L275 G279L275-W277 PolarHBondContact O-N 2.92Å; W277-G279 PolarHBondContact O-N 3.27Å
278A28.5Very low35Very low101 Ų101119.3 Ų119.384%0.83574%0.739SS**  trans-86.198.117200000110
279G31.9Very low36.4Very low80 Ų80120.3 Ų120.383%0.82574%0.736SS**  trans-158.18.4-177.200000116.2W277W277-G279 PolarHBondContact O-N 3.27Å
280A32.6Very low38.5Very low62 Ų62119.7 Ų119.751%0.51272%0.72SS.*  trans-146117.6173.200000109.8F282A280-F282 VanDerWaalsContact C-N 3.32Å; A280-F282 HydrophobicContact CB-CD2 4.15Å; A280-F282 HydrophobicContact CB-CE2 3.58Å; A280-F282 HydrophobicContact CB-CZ 3.91Å; A280-F282 WeakPolarHBondContact O-CD2 3.43Å; A280-F282 PolarHBondContact O-N 2.97Å
281S34.4Very low40.6Very low135 Ų135115.4 Ų115.494%0.94469%0.692SS**  trans-77.276.4-176.6-51.50000111.2S283S281-S283 PolarHBondContact O-N 3.37Å
282F38.9Very low42.9Very low150 Ų150116.3 Ų116.366%0.65869%0.688SS**  trans-69.1122.8175.5-66.5-72.3000111A280 A291A280-F282 VanDerWaalsContact C-N 3.32Å; A280-F282 HydrophobicContact CB-CD2 4.15Å; A280-F282 HydrophobicContact CB-CE2 3.58Å; A280-F282 HydrophobicContact CB-CZ 3.91Å; A280-F282 WeakPolarHBondContact O-CD2 3.43Å; A280-F282 PolarHBondContact O-N 2.97Å; F282-A291 HydrophobicContact CD1-CB 4.45Å; F282-A291 HydrophobicContact CE1-CB 4.24Å
283S39.5Very low45.5Very low92 Ų92112.3 Ų112.364%0.64367%0.673SS**  trans-67.5128.5175.5-166.80000110.2S281 G285S281-S283 PolarHBondContact O-N 3.37Å; S283-G285 PolarHBondContact O-N 3.31Å
284P43Very low48Very low131 Ų131113.3 Ų113.385%0.85166%0.66SS**THydrogen-bonded Turntrans-72.6103.6-173.528.2-34000111.2
285G46Very low50.7Low76 Ų76114.3 Ų114.378%0.78466%0.655SS**THydrogen-bonded Turntrans157.7-24.7175.300000114.3S283S283-G285 PolarHBondContact O-N 3.31Å
286T53.2Low53.1Low81 Ų81112.8 Ų112.850%0.49765%0.645SS.*SBendtrans-90.6123.5-176.9-36.50000110.8V290T286-V290 HydrophobicContact CG2-CB 3.8Å; T286-V290 HydrophobicContact CG2-CG1 3.62Å
287P64Low55.8Low60 Ų60111.9 Ų111.939%0.3964%0.64SS.*  trans-70.6143.1-179.229.5-34.7000111.2W289 V290P287-W289 HydrophobicContact CG-CD2 4.5Å; P287-W289 HydrophobicContact CG-CZ2 3.76Å; P287-W289 PolarHBondContact O-N 2.92Å; P287-V290 HydrophobicContact CG-CG2 3.9Å; P287-V290 PolarHBondContact O-N 3.48Å
288M58.8Low58.3Low170 Ų170105.3 Ų105.384%0.83762%0.62SS**Hα-helixtrans-46.8-34-169.4-173.7-172-70.200115.4L292M288-L292 PolarHBondContact O-N 2.93Å
289W55.8Low60.8Low188 Ų188105.7 Ų105.771%0.71260%0.604SS**Hα-helixtrans-71.6-30.7179.654.8-93.3000113.8P287 D293P287-W289 HydrophobicContact CG-CD2 4.5Å; P287-W289 HydrophobicContact CG-CZ2 3.76Å; P287-W289 PolarHBondContact O-N 2.92Å; W289-D293 WeakPolarHBondContact O-CB 3.1Å; W289-D293 PolarHBondContact O-N 2.89Å
290V70Confident63.1Low44 Ų44103.5 Ų103.527%0.26758%0.582SS.*Hα-helixtrans-70.4-42.3174.6174.60000110.4T286 P287 L292 D293 E294T286-V290 HydrophobicContact CG2-CB 3.8Å; T286-V290 HydrophobicContact CG2-CG1 3.62Å; P287-V290 HydrophobicContact CG-CG2 3.9Å; P287-V290 PolarHBondContact O-N 3.48Å; V290-L292 VanDerWaalsContact C-N 3.29Å; V290-L292 PolarHBondContact O-N 3.44Å; V290-D293 PolarHBondContact O-N 3.34Å; V290-E294 PolarHBondContact O-N 3.03Å
291A71.6Confident65.1Low28 Ų28104.9 Ų104.923%0.23158%0.58CS.*Hα-helixtrans-63.1-37.617800000111.9F282 Q295F282-A291 HydrophobicContact CD1-CB 4.45Å; F282-A291 HydrophobicContact CE1-CB 4.24Å; A291-Q295 WeakPolarHBondContact O-CB 3.45Å; A291-Q295 PolarHBondContact O-N 3Å; A291-Q295 VanDerWaalsContact O-N 3.09Å
292L75.3Confident67Low117 Ų117103.8 Ų103.861%0.61356%0.56SS**Hα-helixtrans-71.6-35.9176.2-161.971.9000112.5M288 V290 M296M288-L292 PolarHBondContact O-N 2.93Å; V290-L292 VanDerWaalsContact C-N 3.29Å; V290-L292 PolarHBondContact O-N 3.44Å; L292-M296 WeakPolarHBondContact O-CB 3.48Å; L292-M296 PolarHBondContact O-N 3.23Å
293D80.4Confident68.6Low102 Ų10299.2 Ų99.255%0.54555%0.549SS..Hα-helixtrans-68.9-44.3176.9-165.353.4000111.6W289 V290 Q295 M296 L297W289-D293 WeakPolarHBondContact O-CB 3.1Å; W289-D293 PolarHBondContact O-N 2.89Å; V290-D293 PolarHBondContact O-N 3.34Å; D293-Q295 PolarHBondContact O-N 3.5Å; D293-M296 PolarHBondContact O-N 3.12Å; D293-L297 WeakPolarHBondContact O-CB 3.38Å; D293-L297 PolarHBondContact O-N 2.87Å
294E79.2Confident70Confident125 Ų12599.2 Ų99.258%0.58455%0.55SS*.Hα-helixtrans-61.3-42.5172.2-76.2-139.2141.200112.2V290 L297 Q298V290-E294 PolarHBondContact O-N 3.03Å; E294-L297 PolarHBondContact O-N 3.31Å; E294-Q298 WeakPolarHBondContact O-CB 3.45Å; E294-Q298 WeakPolarHBondContact O-CG 3.48Å; E294-Q298 PolarHBondContact O-N 2.86Å
295Q80.3Confident70.9Confident104 Ų10499.3 Ų99.349%0.48654%0.542SS..Hα-helixtrans-63.2-43.9177.1-171.9178.5-21.800111.1A291 D293 L297 Q298 E299A291-Q295 WeakPolarHBondContact O-CB 3.45Å; A291-Q295 PolarHBondContact O-N 3Å; A291-Q295 VanDerWaalsContact O-N 3.09Å; D293-Q295 PolarHBondContact O-N 3.5Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.34Å; Q295-Q298 PolarHBondContact O-N 3.46Å; Q295-E299 WeakPolarHBondContact O-CG 3.47Å; Q295-E299 PolarHBondContact O-N 2.9Å
296M78.3Confident71.6Confident136 Ų136102.5 Ų102.567%0.6754%0.541SS*.Hα-helixtrans-66.4-34177.1-161.6-176.37300112.2L292 D293 G300L292-M296 WeakPolarHBondContact O-CB 3.48Å; L292-M296 PolarHBondContact O-N 3.23Å; D293-M296 PolarHBondContact O-N 3.12Å; M296-G300 PolarHBondContact O-N 2.9Å
297L83.1Confident71.6Confident111 Ų111105.9 Ų105.958%0.58156%0.555SS**Hα-helixtrans-67.4-42.5173.7-171.470.1000111.6D293 E294 Q295 G300 I301D293-L297 WeakPolarHBondContact O-CB 3.38Å; D293-L297 PolarHBondContact O-N 2.87Å; E294-L297 PolarHBondContact O-N 3.31Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.34Å; L297-G300 PolarHBondContact O-N 3.27Å; L297-I301 HydrophobicContact CG-CD1 4.21Å; L297-I301 WeakPolarHBondContact O-CD1 3.32Å; L297-I301 VanDerWaalsContact O-CG1 3.26Å; L297-I301 WeakPolarHBondContact O-CG1 3.42Å; L297-I301 PolarHBondContact O-N 2.89Å
298Q80.4Confident70.8Confident118 Ų118104.9 Ų104.955%0.55156%0.557SS**Hα-helixtrans-64.1-45.1176.1-77.4-179.7-44.700112.2E294 Q295 G300 I301 Q302E294-Q298 WeakPolarHBondContact O-CB 3.45Å; E294-Q298 WeakPolarHBondContact O-CG 3.48Å; E294-Q298 PolarHBondContact O-N 2.86Å; Q295-Q298 PolarHBondContact O-N 3.46Å; Q298-G300 VanDerWaalsContact C-N 3.33Å; Q298-G300 PolarHBondContact O-N 2.93Å; Q298-I301 PolarHBondContact O-N 2.94Å; Q298-Q302 PolarHBondContact O-N 3.41Å
299E80.4Confident70Confident109 Ų109102.7 Ų102.751%0.50956%0.555SS.*Hα-helixtrans-62.7-39174.1-67.8-61.6145.200111.5Q295 I301 Q302 A303Q295-E299 WeakPolarHBondContact O-CG 3.47Å; Q295-E299 PolarHBondContact O-N 2.9Å; E299-I301 PolarHBondContact O-N 3.37Å; E299-Q302 PolarHBondContact O-N 3.37Å; E299-A303 WeakPolarHBondContact O-CB 3.38Å; E299-A303 PolarHBondContact O-N 2.89Å
300G80.7Confident69.3Low34 Ų3498.6 Ų98.635%0.35156%0.561SS.*Hα-helixtrans-63.9-36.2174.100000113.8M296 L297 Q298 S304M296-G300 PolarHBondContact O-N 2.9Å; L297-G300 PolarHBondContact O-N 3.27Å; Q298-G300 VanDerWaalsContact C-N 3.33Å; Q298-G300 PolarHBondContact O-N 2.93Å; G300-S304 WeakPolarHBondContact O-CB 3.47Å; G300-S304 PolarHBondContact O-N 3.49Å; G300-S304 PolarHBondContact O-OG 3.49Å
301I74.6Confident67.8Low92 Ų92106 Ų10647%0.47259%0.593SS.*Hα-helixtrans-69.2-43.1173.4-68.7161.7000110.6L297 Q298 E299 S304 L305L297-I301 HydrophobicContact CG-CD1 4.21Å; L297-I301 WeakPolarHBondContact O-CD1 3.32Å; L297-I301 VanDerWaalsContact O-CG1 3.26Å; L297-I301 WeakPolarHBondContact O-CG1 3.42Å; L297-I301 PolarHBondContact O-N 2.89Å; Q298-I301 PolarHBondContact O-N 2.94Å; E299-I301 PolarHBondContact O-N 3.37Å; I301-S304 PolarHBondContact O-N 3.25Å; I301-L305 HydrophobicContact CG2-CD1 4.03Å; I301-L305 WeakPolarHBondContact O-CG 3.4Å; I301-L305 PolarHBondContact O-N 2.94Å
302Q74Confident65.9Low112 Ų112107.5 Ų107.552%0.52361%0.611SS.*Hα-helixtrans-63.7-44.9176-73-164.225.200112Q298 E299 S304 L305 L306Q298-Q302 PolarHBondContact O-N 3.41Å; E299-Q302 PolarHBondContact O-N 3.37Å; Q302-S304 VanDerWaalsContact C-N 3.32Å; Q302-S304 PolarHBondContact O-N 3.12Å; Q302-L305 PolarHBondContact O-N 3.3Å; Q302-L305 VanDerWaalsContact O-N 3.11Å; Q302-L306 WeakPolarHBondContact O-CG 3.29Å; Q302-L306 PolarHBondContact O-N 3.38Å
303A72.1Confident64.3Low53 Ų53107.8 Ų107.844%0.43862%0.62SS.*Hα-helixtrans-57.7-44.9174.900000111.7E299 L305 L306 D307E299-A303 WeakPolarHBondContact O-CB 3.38Å; E299-A303 PolarHBondContact O-N 2.89Å; A303-L305 VanDerWaalsContact C-N 3.26Å; A303-L305 PolarHBondContact O-N 3.35Å; A303-L306 PolarHBondContact O-N 3.08Å; A303-L306 VanDerWaalsContact O-N 3.17Å; A303-D307 PolarHBondContact O-N 2.83Å
304S68.7Low62.3Low93 Ų93111.9 Ų111.965%0.6564%0.636SS**Hα-helixtrans-65.3-25.2177.3-57.30000113.9G300 I301 Q302G300-S304 WeakPolarHBondContact O-CB 3.47Å; G300-S304 PolarHBondContact O-N 3.49Å; G300-S304 PolarHBondContact O-OG 3.49Å; I301-S304 PolarHBondContact O-N 3.25Å; Q302-S304 VanDerWaalsContact C-N 3.32Å; Q302-S304 PolarHBondContact O-N 3.12Å
305L62Low59.9Low132 Ų132111.7 Ų111.769%0.69165%0.648SS**Hα-helixtrans-82.3-30.9174.2-73.5166.5000112.4I301 Q302 A303 G308I301-L305 HydrophobicContact CG2-CD1 4.03Å; I301-L305 WeakPolarHBondContact O-CG 3.4Å; I301-L305 PolarHBondContact O-N 2.94Å; Q302-L305 PolarHBondContact O-N 3.3Å; Q302-L305 VanDerWaalsContact O-N 3.11Å; A303-L305 VanDerWaalsContact C-N 3.26Å; A303-L305 PolarHBondContact O-N 3.35Å; L305-G308 PolarHBondContact O-N 3.32Å
306L61.1Low57.7Low144 Ų144110.7 Ų110.775%0.75466%0.658SS**Hα-helixtrans-77.8-26.9176.9-69.8170.2000113.1Q302 A303 G308Q302-L306 WeakPolarHBondContact O-CG 3.29Å; Q302-L306 PolarHBondContact O-N 3.38Å; A303-L306 PolarHBondContact O-N 3.08Å; A303-L306 VanDerWaalsContact O-N 3.17Å; L306-G308 PolarHBondContact O-N 3.49Å
307D53.3Low55.6Low151 Ų151109.4 Ų109.481%0.80766%0.66SS**THydrogen-bonded Turntrans-76.34.6169.1-89.5-23.7000113.5A303A303-D307 PolarHBondContact O-N 2.83Å
308G47.4Very low53Low40 Ų40115.8 Ų115.841%0.41268%0.676SS.*SBendtrans-67.9134.3165.900000111.2L305 L306 A310L305-G308 PolarHBondContact O-N 3.32Å; L306-G308 PolarHBondContact O-N 3.49Å; G308-A310 PolarHBondContact O-N 3.47Å
309P42Very low50.8Low124 Ų124117.4 Ų117.481%0.80569%0.688SS**PPolyproline II helixtrans-62.7122.6-173.724.6-34000111.7Q311P309-Q311 PolarHBondContact O-N 2.84Å
310A40.3Very low48.3Very low102 Ų102116.8 Ų116.884%0.84370%0.696SS**PPolyproline II helixtrans-55.1121.1177.200000111G308 G312G308-A310 PolarHBondContact O-N 3.47Å; A310-G312 PolarHBondContact O-N 2.57Å
311Q38.9Very low46.3Very low198 Ų198125 Ų12593%0.92572%0.721SS**  trans-71.799.7-179.4-71.7-174.40.900111.3P309P309-Q311 PolarHBondContact O-N 2.84Å
312G31.5Very low44.7Very low60 Ų60125.4 Ų125.462%0.61973%0.732SS**  trans-74147.1149.400000110.2A310A310-G312 PolarHBondContact O-N 2.57Å
313P42.7Very low43.4Very low123 Ų123125.3 Ų125.380%0.79975%0.745SS**SBendtrans-74.7146.4-177.230.7-34.9000112.1
314Q36.8Very low42.2Very low188 Ų188125.5 Ų125.588%0.87974%0.74SS**  trans71.686.3171.3-53-167.86800118
315S29.9Very low41.7Very low121 Ų121123.3 Ų123.385%0.84673%0.725SS**  -170.5146.1119.533.70000110.3
316A33.8Very low41.8Very low83 Ų83121.7 Ų121.769%0.68672%0.724SS**  trans-67.7130.5-176.100000111.1W318A316-W318 PolarHBondContact O-N 3.41Å; A316-W318 VanDerWaalsContact O-N 3.15Å
317P34.2Very low42.1Very low109 Ų109120 Ų12071%0.70872%0.716SS**  trans-69.5113.6176.127.7-32.7000109.6L319P317-L319 VanDerWaalsContact C-N 3.3Å; P317-L319 PolarHBondContact O-N 2.72Å
318W28.6Very low42.8Very low246 Ų246118 Ų11893%0.93270%0.697SS**  trans-67.589.2169.1-80.175.5000109.5A316 S320A316-W318 PolarHBondContact O-N 3.41Å; A316-W318 VanDerWaalsContact O-N 3.15Å; W318-S320 PolarHBondContact O-N 2.92Å
319L33.8Very low44.1Very low152 Ų152117.6 Ų117.680%0.79669%0.685SS**  trans-67.7117.7175-76.2167.3000110.1P317 K321P317-L319 VanDerWaalsContact C-N 3.3Å; P317-L319 PolarHBondContact O-N 2.72Å; L319-K321 PolarHBondContact O-N 3.11Å
320S27.4Very low45.5Very low96 Ų96116.3 Ų116.367%0.67167%0.668SS**  trans-53.9124.1177.4-58.60000111.6W318 S322W318-S320 PolarHBondContact O-N 2.92Å; S320-S322 PolarHBondContact O-N 3.47Å
321K38.5Very low47.2Very low205 Ų205115.8 Ų115.889%0.89165%0.648SS**THydrogen-bonded Turntrans-66.717.9-173.1-64.6-175.9173.2-176.60115.9L319L319-K321 PolarHBondContact O-N 3.11Å
322S42.2Very low48.8Very low101 Ų101106.3 Ų106.371%0.70660%0.604SS**THydrogen-bonded Turntrans-107.83.3-165.558.40000115.9S320S320-S322 PolarHBondContact O-N 3.47Å
323S46.1Very low50.8Low111 Ų111107.7 Ų107.778%0.77659%0.594SS**  trans-116.326.8-172.1-56.60000114.5
324V47.6Very low52.3Low57 Ų57111.4 Ų111.435%0.34559%0.592SS.*  trans-90.3109.5170.5-172.50000108.8S326 L329 L346V324-S326 PolarHBondContact O-N 2.96Å; V324-L329 HydrophobicContact CG1-CB 4.48Å; V324-L329 HydrophobicContact CG1-CD1 3.98Å; V324-L346 HydrophobicContact CG1-CD2 4.43Å
325S57.7Low53.6Low47 Ų47107.4 Ų107.433%0.32958%0.575SS.*  trans-65.6107.5177.857.60000110.3L327 R328 L329S325-L327 PolarHBondContact O-N 3.04Å; S325-R328 PolarHBondContact O-N 3.33Å; S325-R328 VanDerWaalsContact OG-CD 3.24Å; S325-R328 WeakPolarHBondContact OG-CD 3.38Å; S325-R328 VanDerWaalsContact OG-CG 3.29Å; S325-R328 WeakPolarHBondContact OG-CG 3.46Å; S325-L329 PolarHBondContact O-N 2.95Å
326S64.2Low55.5Low97 Ų97104.8 Ų104.868%0.67857%0.567SS**Hα-helixtrans-49.3-36.8-175.9530000113.8V324 R328 L329 Q330V324-S326 PolarHBondContact O-N 2.96Å; S326-R328 VanDerWaalsContact C-N 3.34Å; S326-R328 PolarHBondContact O-N 3.29Å; S326-L329 PolarHBondContact O-N 2.99Å; S326-Q330 WeakPolarHBondContact O-CB 3.29Å; S326-Q330 PolarHBondContact O-N 2.98Å
327L68.1Low57.4Low110 Ų110103.2 Ų103.258%0.57655%0.545SS*.Hα-helixtrans-61-37178.2-171.9147.7000113.5S325 Q331S325-L327 PolarHBondContact O-N 3.04Å; L327-Q331 WeakPolarHBondContact O-CG 3.08Å; L327-Q331 PolarHBondContact O-N 3.01Å; L327-Q331 VanDerWaalsContact O-N 3.11Å
328R67.9Low59.4Low109 Ų109101.3 Ų101.341%0.41153%0.533SS..Hα-helixtrans-77.8-33.8179.5-64.4-175.1-172.3162.31.2112.2S325 S326 Q331 L332 L346 G350 V352S325-R328 PolarHBondContact O-N 3.33Å; S325-R328 VanDerWaalsContact OG-CD 3.24Å; S325-R328 WeakPolarHBondContact OG-CD 3.38Å; S325-R328 VanDerWaalsContact OG-CG 3.29Å; S325-R328 WeakPolarHBondContact OG-CG 3.46Å; S326-R328 VanDerWaalsContact C-N 3.34Å; S326-R328 PolarHBondContact O-N 3.29Å; R328-Q331 PolarHBondContact O-N 2.95Å; R328-L332 PolarHBondContact O-N 3.42Å; R328-L346 HydrophobicContact CB-CD1 3.74Å; R328-G350 PolarHBondContact NH1-O 2.89Å; R328-V352 HydrophobicContact CB-CG2 3.78Å; R328-V352 HydrophobicContact CG-CG2 3.75Å
329L73.8Confident61.4Low31 Ų3192.2 Ų92.216%0.16250%0.504CS..Hα-helixtrans-65.4-46172-164.4166.3000109.8V324 S325 S326 Q331 L332 E333 V343V324-L329 HydrophobicContact CG1-CB 4.48Å; V324-L329 HydrophobicContact CG1-CD1 3.98Å; S325-L329 PolarHBondContact O-N 2.95Å; S326-L329 PolarHBondContact O-N 2.99Å; L329-Q331 PolarHBondContact O-N 3.49Å; L329-L332 WeakPolarHBondContact O-CB 3.28Å; L329-L332 PolarHBondContact O-N 3.13Å; L329-E333 HydrophobicContact CD2-CG 3.91Å; L329-E333 WeakPolarHBondContact CD2-OE1 3.33Å; L329-E333 PolarHBondContact O-N 3.27Å; L329-V343 HydrophobicContact CD1-CG2 3.52Å; L329-V343 HydrophobicContact CG-CG2 4.36Å
330Q72Confident63.3Low96 Ų9691.4 Ų91.445%0.44950%0.496SS..Hα-helixtrans-62.2-26.9175.4-165.9178.225.800113.5S326 R334S326-Q330 WeakPolarHBondContact O-CB 3.29Å; S326-Q330 PolarHBondContact O-N 2.98Å; Q330-R334 WeakPolarHBondContact O-CG 3.17Å; Q330-R334 PolarHBondContact O-N 3.16Å; Q330-R334 VanDerWaalsContact O-N 3.17Å
331Q76.1Confident65.3Low91 Ų9189.4 Ų89.443%0.42548%0.476SS..Hα-helixtrans-70.7-40.2171-78.6171.6-30.900112.2L327 R328 L329 R334 M335L327-Q331 WeakPolarHBondContact O-CG 3.08Å; L327-Q331 PolarHBondContact O-N 3.01Å; L327-Q331 VanDerWaalsContact O-N 3.11Å; R328-Q331 PolarHBondContact O-N 2.95Å; L329-Q331 PolarHBondContact O-N 3.49Å; Q331-R334 PolarHBondContact O-N 3.06Å; Q331-M335 PolarHBondContact O-N 2.88Å
332L70.9Confident66.9Low0 Ų079.6 Ų79.60%043%0.434CS..Hα-helixtrans-67.7-40.5174.9-68175.6000111.9R328 L329 R334 M335 G336 F337 A342 L346 V352 A355 V356 L359R328-L332 PolarHBondContact O-N 3.42Å; L329-L332 WeakPolarHBondContact O-CB 3.28Å; L329-L332 PolarHBondContact O-N 3.13Å; L332-R334 PolarHBondContact O-N 3.39Å; L332-M335 HydrophobicContact CD2-CE 3.77Å; L332-M335 CarbonylContact O-C 3.58Å; L332-M335 PolarHBondContact O-N 2.93Å; L332-M335 VanDerWaalsContact O-N 3.07Å; L332-G336 PolarHBondContact O-N 2.88Å; L332-F337 HydrophobicContact CD2-CD2 4.32Å; L332-F337 PolarHBondContact O-N 3.49Å; L332-A342 HydrophobicContact CB-CB 3.97Å; L332-A342 HydrophobicContact CD1-CB 3.73Å; L332-A342 HydrophobicContact CG-CB 4.5Å; L332-L346 HydrophobicContact CD1-CB 4.45Å; L332-L346 HydrophobicContact CD1-CD1 3.82Å; L332-V352 HydrophobicContact CD2-CG1 3.92Å; L332-V352 HydrophobicContact CG-CG1 4.27Å; L332-A355 HydrophobicContact CD1-CB 4.02Å; L332-V356 HydrophobicContact CD2-CG2 3.46Å; L332-V356 VanDerWaalsContact CD2-CG2 3.46Å; L332-L359 HydrophobicContact CD1-CD1 4.39Å; L332-L359 HydrophobicContact CD2-CD1 4.28Å
333E74.9Confident68.3Low88 Ų8877.3 Ų77.341%0.41142%0.415SS..Hα-helixtrans-57.2-45.6172.6-73.9172.8172.100111.9L329 M335 G336 T339L329-E333 HydrophobicContact CD2-CG 3.91Å; L329-E333 WeakPolarHBondContact CD2-OE1 3.33Å; L329-E333 PolarHBondContact O-N 3.27Å; E333-M335 PolarHBondContact O-N 3.3Å; E333-G336 PolarHBondContact O-N 3.43Å; E333-T339 HydrophobicContact CG-CG2 3.99Å; E333-T339 WeakPolarHBondContact OE1-CG2 3.46Å
334R73.3Confident69.5Low202 Ų20273.7 Ų73.776%0.76239%0.389SS*.Hα-helixtrans-65.5-19.2176.7-76.6-174.9-168.4-178.26.7113.9Q330 Q331 L332 G336Q330-R334 WeakPolarHBondContact O-CG 3.17Å; Q330-R334 PolarHBondContact O-N 3.16Å; Q330-R334 VanDerWaalsContact O-N 3.17Å; Q331-R334 PolarHBondContact O-N 3.06Å; L332-R334 PolarHBondContact O-N 3.39Å; R334-G336 VanDerWaalsContact C-N 3.32Å
335M64.8Low70.6Confident103 Ų10371 Ų7151%0.50737%0.372SS..THydrogen-bonded Turntrans-90.34.5171.9-67.3-172.6-66.200112.8Q331 L332 E333 F337 V352 V356Q331-M335 PolarHBondContact O-N 2.88Å; L332-M335 HydrophobicContact CD2-CE 3.77Å; L332-M335 CarbonylContact O-C 3.58Å; L332-M335 PolarHBondContact O-N 2.93Å; L332-M335 VanDerWaalsContact O-N 3.07Å; E333-M335 PolarHBondContact O-N 3.3Å; M335-F337 HydrophobicContact CB-CD2 3.85Å; M335-F337 HydrophobicContact CB-CE2 3.81Å; M335-V352 HydrophobicContact CE-CG1 4.35Å; M335-V356 HydrophobicContact CE-CG2 3.61Å
336G70.6Confident71.3Confident67 Ų6769.3 Ų69.369%0.69136%0.359SS*.THydrogen-bonded Turntrans86.910.3173.100000115.3L332 E333 R334L332-G336 PolarHBondContact O-N 2.88Å; E333-G336 PolarHBondContact O-N 3.43Å; R334-G336 VanDerWaalsContact C-N 3.32Å
337F72.3Confident71.7Confident49 Ų4968.4 Ų68.422%0.21536%0.358CS..  trans-83.1140.9179.1-64-73.5000112.1L332 M335 V356 L359 V360L332-F337 HydrophobicContact CD2-CD2 4.32Å; L332-F337 PolarHBondContact O-N 3.49Å; M335-F337 HydrophobicContact CB-CD2 3.85Å; M335-F337 HydrophobicContact CB-CE2 3.81Å; F337-V356 HydrophobicContact CE2-CG1 4.44Å; F337-V356 HydrophobicContact CE2-CG2 4.35Å; F337-V356 HydrophobicContact CZ-CG1 4.38Å; F337-L359 HydrophobicContact CB-CD1 4.04Å; F337-L359 HydrophobicContact CD1-CB 3.82Å; F337-L359 HydrophobicContact CD1-CD1 4.01Å; F337-L359 HydrophobicContact CD1-CG 4.38Å; F337-L359 HydrophobicContact CD2-CD1 4.31Å; F337-L359 HydrophobicContact CE1-CB 3.83Å; F337-L359 HydrophobicContact CG-CB 4.5Å; F337-L359 HydrophobicContact CG-CD1 3.86Å; F337-V360 HydrophobicContact CE1-CG2 4.15Å; F337-V360 HydrophobicContact CZ-CG2 3.84Å
338P76.8Confident71.8Confident69 Ų6966.1 Ų66.145%0.44836%0.355SS..  trans-68.1138.2179.127.6-33.6000111.6E340 Q341 A342P338-E340 PolarHBondContact O-N 3Å; P338-Q341 HydrophobicContact CG-CB 4.17Å; P338-Q341 HydrophobicContact CG-CG 4.11Å; P338-Q341 VanDerWaalsContact CG-OE1 3.27Å; P338-Q341 PolarHBondContact O-N 3.42Å; P338-A342 WeakPolarHBondContact O-CB 3.39Å; P338-A342 PolarHBondContact O-N 2.95Å
339T71.1Confident71.8Confident55 Ų5563.3 Ų63.334%0.33735%0.35SS..Hα-helixtrans-54.1-45.8-17251.20000113.4E333 Q341 A342 V343E333-T339 HydrophobicContact CG-CG2 3.99Å; E333-T339 WeakPolarHBondContact OE1-CG2 3.46Å; T339-Q341 PolarHBondContact O-N 3.39Å; T339-A342 PolarHBondContact O-N 3.24Å; T339-V343 WeakPolarHBondContact O-CG2 3.22Å; T339-V343 PolarHBondContact O-N 3.48Å
340E72.9Confident71.5Confident135 Ų13563.6 Ų63.663%0.63136%0.361SS*.Hα-helixtrans-63.1-44.4-176.1-54.3-46.8124.300112.1P338 V344P338-E340 PolarHBondContact O-N 3Å; E340-V344 WeakPolarHBondContact O-CG2 3.5Å; E340-V344 PolarHBondContact O-N 3.44Å
341Q69.9Low71.5Confident54 Ų5467.8 Ų67.825%0.25237%0.372SS..Hα-helixtrans-71.7-37.2177.1-61.3178.5-15.200111P338 T339 V343 V344 A345 L359 V364P338-Q341 HydrophobicContact CG-CB 4.17Å; P338-Q341 HydrophobicContact CG-CG 4.11Å; P338-Q341 VanDerWaalsContact CG-OE1 3.27Å; P338-Q341 PolarHBondContact O-N 3.42Å; T339-Q341 PolarHBondContact O-N 3.39Å; Q341-V343 VanDerWaalsContact C-N 3.34Å; Q341-V343 PolarHBondContact O-N 2.98Å; Q341-V344 PolarHBondContact O-N 2.93Å; Q341-A345 VanDerWaalsContact O-CB 3.32Å; Q341-A345 WeakPolarHBondContact O-CB 3.38Å; Q341-A345 PolarHBondContact O-N 3.34Å; Q341-L359 HydrophobicContact CB-CD2 3.52Å; Q341-V364 HydrophobicContact CB-CB 4.48Å; Q341-V364 HydrophobicContact CB-CG1 3.87Å; Q341-V364 HydrophobicContact CG-CG1 4.21Å
342A72.3Confident71.2Confident0 Ų064.3 Ų64.30%036%0.357CS..Hα-helixtrans-61.2-40.3176.100000112.4L332 P338 T339 L346L332-A342 HydrophobicContact CB-CB 3.97Å; L332-A342 HydrophobicContact CD1-CB 3.73Å; L332-A342 HydrophobicContact CG-CB 4.5Å; P338-A342 WeakPolarHBondContact O-CB 3.39Å; P338-A342 PolarHBondContact O-N 2.95Å; T339-A342 PolarHBondContact O-N 3.24Å; A342-L346 WeakPolarHBondContact O-CB 3.28Å; A342-L346 PolarHBondContact O-N 3.5Å
343V71.1Confident71.2Confident52 Ų5270.7 Ų70.732%0.31539%0.387SS..Hα-helixtrans-61.7-48.1173.9170.30000111.1L329 T339 Q341 L346 A347L329-V343 HydrophobicContact CD1-CG2 3.52Å; L329-V343 HydrophobicContact CG-CG2 4.36Å; T339-V343 WeakPolarHBondContact O-CG2 3.22Å; T339-V343 PolarHBondContact O-N 3.48Å; Q341-V343 VanDerWaalsContact C-N 3.34Å; Q341-V343 PolarHBondContact O-N 2.98Å; V343-L346 PolarHBondContact O-N 3.26Å; V343-A347 VanDerWaalsContact O-CB 3.27Å; V343-A347 WeakPolarHBondContact O-CB 3.45Å; V343-A347 PolarHBondContact O-N 2.62Å
344V72.2Confident71.1Confident36 Ų3667.7 Ų67.722%0.21838%0.38CS..Hα-helixtrans-65.1-45.7-179175.80000111.4E340 Q341 L346 A347 A348 V364 V370E340-V344 WeakPolarHBondContact O-CG2 3.5Å; E340-V344 PolarHBondContact O-N 3.44Å; Q341-V344 PolarHBondContact O-N 2.93Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 2.93Å; V344-A347 PolarHBondContact O-N 3.35Å; V344-A348 WeakPolarHBondContact O-CB 3.16Å; V344-A348 PolarHBondContact O-N 3.21Å; V344-V364 HydrophobicContact CB-CG1 4.02Å; V344-V364 HydrophobicContact CG1-CG1 3.97Å; V344-V370 HydrophobicContact CG1-CG2 4.16Å
345A69.3Low71Confident0 Ų058 Ų580%034%0.343CS..Hα-helixtrans-63.4-37.2178.800000112.8Q341 T349 A355 L358 L359 V364Q341-A345 VanDerWaalsContact O-CB 3.32Å; Q341-A345 WeakPolarHBondContact O-CB 3.38Å; Q341-A345 PolarHBondContact O-N 3.34Å; A345-T349 WeakPolarHBondContact O-CG2 3.28Å; A345-T349 PolarHBondContact O-N 3.04Å; A345-T349 PolarHBondContact O-OG1 3.3Å; A345-A355 HydrophobicContact CB-CB 3.9Å; A345-L358 HydrophobicContact CB-CB 4.48Å; A345-L359 HydrophobicContact CB-CD1 4.2Å; A345-L359 HydrophobicContact CB-CD2 4.16Å; A345-L359 HydrophobicContact CB-CG 3.87Å; A345-V364 HydrophobicContact CB-CG2 4.14Å
346L73.8Confident71.2Confident11 Ų1155 Ų556%0.05833%0.33CS..Hα-helixtrans-79.6-32.8-180-159.7154.9000112V324 R328 L332 A342 V343 V344 A348 G350 A355V324-L346 HydrophobicContact CG1-CD2 4.43Å; R328-L346 HydrophobicContact CB-CD1 3.74Å; L332-L346 HydrophobicContact CD1-CB 4.45Å; L332-L346 HydrophobicContact CD1-CD1 3.82Å; A342-L346 WeakPolarHBondContact O-CB 3.28Å; A342-L346 PolarHBondContact O-N 3.5Å; V343-L346 PolarHBondContact O-N 3.26Å; V344-L346 VanDerWaalsContact C-N 3.33Å; V344-L346 PolarHBondContact O-N 2.93Å; L346-A348 VanDerWaalsContact C-N 3.34Å; L346-G350 WeakPolarHBondContact O-CA 3.4Å; L346-G350 PolarHBondContact O-N 3.44Å; L346-A355 HydrophobicContact CB-CB 4.15Å
347A72.8Confident71.3Confident79 Ų7955.7 Ų55.765%0.65333%0.325SS*.Hα-helixtrans-64.3-37.2168.600000112.3V343 V344V343-A347 VanDerWaalsContact O-CB 3.27Å; V343-A347 WeakPolarHBondContact O-CB 3.45Å; V343-A347 PolarHBondContact O-N 2.62Å; V344-A347 PolarHBondContact O-N 3.35Å
348A69.2Low71.2Confident61 Ų6155 Ų5550%0.50432%0.323SS..Hα-helixtrans-73.2-28.5178.800000114.2V344 L346 L358 V370V344-A348 WeakPolarHBondContact O-CB 3.16Å; V344-A348 PolarHBondContact O-N 3.21Å; L346-A348 VanDerWaalsContact C-N 3.34Å; A348-L358 HydrophobicContact CB-CD1 4.37Å; A348-V370 HydrophobicContact CB-CG2 4.49Å
349T67.9Low70.9Confident50 Ų5052.5 Ų52.531%0.30731%0.306SS..Hα-helixtrans-118-20.3-170.158.50000115A345 R351 A355 L358A345-T349 WeakPolarHBondContact O-CG2 3.28Å; A345-T349 PolarHBondContact O-N 3.04Å; A345-T349 PolarHBondContact O-OG1 3.3Å; T349-R351 PolarHBondContact O-N 2.99Å; T349-R351 PolarHBondContact OG1-O 3.45Å; T349-A355 PolarHBondContact OG1-N 2.75Å; T349-L358 HydrophobicContact CG2-CD1 3.45Å; T349-L358 VanDerWaalsContact CG2-CD1 3.45Å; T349-L358 HydrophobicContact CG2-CG 4.2Å
350G66.9Low70.9Confident38 Ų3855 Ų5539%0.39232%0.321SS..SBendtrans65.4-3.9-178.400000116R328 L346R328-G350 PolarHBondContact NH1-O 2.89Å; L346-G350 WeakPolarHBondContact O-CA 3.4Å; L346-G350 PolarHBondContact O-N 3.44Å
351R71.9Confident70.4Confident184 Ų18450.8 Ų50.869%0.69431%0.314SS*.SBendtrans-134.5147.5-176.3-61.8-170.4-175.5-167.12.6110.5T349 E353 A355T349-R351 PolarHBondContact O-N 2.99Å; T349-R351 PolarHBondContact OG1-O 3.45Å; R351-E353 PolarHBondContact O-N 2.99Å; R351-A355 PolarHBondContact O-N 3.1Å; R351-A355 VanDerWaalsContact O-N 3.13Å
352V69.9Low70.1Confident17 Ų1751.3 Ų51.310%0.10333%0.334CS..Hα-helixtrans-69.8-38.7-172.4-1730000111R328 L332 M335 G354 A355 V356R328-V352 HydrophobicContact CB-CG2 3.78Å; R328-V352 HydrophobicContact CG-CG2 3.75Å; L332-V352 HydrophobicContact CD2-CG1 3.92Å; L332-V352 HydrophobicContact CG-CG1 4.27Å; M335-V352 HydrophobicContact CE-CG1 4.35Å; V352-G354 PolarHBondContact O-N 3.34Å; V352-A355 PolarHBondContact O-N 3.28Å; V352-V356 HydrophobicContact CG1-CG2 4.44Å; V352-V356 WeakPolarHBondContact O-CG2 3.45Å; V352-V356 PolarHBondContact O-N 3.5Å
353E71.9Confident69.3Low134 Ų13456.7 Ų56.763%0.62636%0.358SS*.Hα-helixtrans-66.8-39.7-176.7-53.672.5-157.200111.1R351 S357R351-E353 PolarHBondContact O-N 2.99Å; E353-S357 WeakPolarHBondContact O-CB 3.32Å; E353-S357 PolarHBondContact O-N 2.94Å; E353-S357 VanDerWaalsContact O-N 3.12Å; E353-S357 PolarHBondContact O-OG 2.88Å
354G71.8Confident68.5Low25 Ų2554.7 Ų54.726%0.25835%0.347SS..Hα-helixtrans-65.9-44.2171.600000112.5V352 S357 L358V352-G354 PolarHBondContact O-N 3.34Å; G354-S357 WeakPolarHBondContact O-CB 3.4Å; G354-S357 PolarHBondContact O-N 3.26Å; G354-S357 VanDerWaalsContact O-N 3.16Å; G354-L358 PolarHBondContact O-N 2.92Å; G354-L358 VanDerWaalsContact O-N 3.08Å
355A72.6Confident67.6Low0 Ų054.9 Ų54.90%036%0.356CS..Hα-helixtrans-61.1-45.6176.800000112.3L332 A345 L346 T349 R351 V352 S357 L358 L359L332-A355 HydrophobicContact CD1-CB 4.02Å; A345-A355 HydrophobicContact CB-CB 3.9Å; L346-A355 HydrophobicContact CB-CB 4.15Å; T349-A355 PolarHBondContact OG1-N 2.75Å; R351-A355 PolarHBondContact O-N 3.1Å; R351-A355 VanDerWaalsContact O-N 3.13Å; V352-A355 PolarHBondContact O-N 3.28Å; A355-S357 VanDerWaalsContact C-N 3.27Å; A355-S357 PolarHBondContact O-N 3.39Å; A355-L358 PolarHBondContact O-N 3.48Å; A355-L359 WeakPolarHBondContact O-CB 3.1Å; A355-L359 WeakPolarHBondContact O-CD1 3.11Å; A355-L359 WeakPolarHBondContact O-CG 3.44Å; A355-L359 PolarHBondContact O-N 2.9Å
356V68.3Low66.6Low38 Ų3860.8 Ų60.823%0.2339%0.392CS..Hα-helixtrans-57.8-41.4173.4172.50000110.9L332 M335 F337 V352 L358 L359 V360L332-V356 HydrophobicContact CD2-CG2 3.46Å; L332-V356 VanDerWaalsContact CD2-CG2 3.46Å; M335-V356 HydrophobicContact CE-CG2 3.61Å; F337-V356 HydrophobicContact CE2-CG1 4.44Å; F337-V356 HydrophobicContact CE2-CG2 4.35Å; F337-V356 HydrophobicContact CZ-CG1 4.38Å; V352-V356 HydrophobicContact CG1-CG2 4.44Å; V352-V356 WeakPolarHBondContact O-CG2 3.45Å; V352-V356 PolarHBondContact O-N 3.5Å; V356-L358 PolarHBondContact O-N 3.3Å; V356-L359 PolarHBondContact O-N 2.88Å; V356-V360 HydrophobicContact CG1-CG2 4.01Å; V356-V360 WeakPolarHBondContact O-CB 3.32Å; V356-V360 VanDerWaalsContact O-CG2 3.29Å; V356-V360 WeakPolarHBondContact O-CG2 3.5Å; V356-V360 PolarHBondContact O-N 3.48Å
357S72Confident65.3Low83 Ų8367.9 Ų67.958%0.5843%0.425SS*.Hα-helixtrans-65.5-38.9-178-56.70000112.5E353 G354 A355 G361E353-S357 WeakPolarHBondContact O-CB 3.32Å; E353-S357 PolarHBondContact O-N 2.94Å; E353-S357 VanDerWaalsContact O-N 3.12Å; E353-S357 PolarHBondContact O-OG 2.88Å; G354-S357 WeakPolarHBondContact O-CB 3.4Å; G354-S357 PolarHBondContact O-N 3.26Å; G354-S357 VanDerWaalsContact O-N 3.16Å; A355-S357 VanDerWaalsContact C-N 3.27Å; A355-S357 PolarHBondContact O-N 3.39Å; S357-G361 PolarHBondContact O-N 3.28Å
358L70.6Confident64.1Low34 Ų3470.2 Ų70.218%0.17843%0.431CS..Hα-helixtrans-70.4-38174.2-67.8-178.7000112.9A345 A348 T349 G354 A355 V356 G361 G362 Q363 V364A345-L358 HydrophobicContact CB-CB 4.48Å; A348-L358 HydrophobicContact CB-CD1 4.37Å; T349-L358 HydrophobicContact CG2-CD1 3.45Å; T349-L358 VanDerWaalsContact CG2-CD1 3.45Å; T349-L358 HydrophobicContact CG2-CG 4.2Å; G354-L358 PolarHBondContact O-N 2.92Å; G354-L358 VanDerWaalsContact O-N 3.08Å; A355-L358 PolarHBondContact O-N 3.48Å; V356-L358 PolarHBondContact O-N 3.3Å; L358-G361 PolarHBondContact O-N 3.39Å; L358-G362 PolarHBondContact O-N 3.33Å; L358-Q363 HydrophobicContact CD2-CB 4.45Å; L358-Q363 PolarHBondContact O-N 3.4Å; L358-Q363 VanDerWaalsContact O-N 3.11Å; L358-V364 HydrophobicContact CB-CG2 3.97Å
359L70.4Confident62.8Low17 Ų1773.7 Ų73.79%0.08944%0.441CS..Hα-helixtrans-67.9-46.3178.1-70.4165.5000111.8L332 F337 Q341 A345 A355 V356 G361 G362 V364L332-L359 HydrophobicContact CD1-CD1 4.39Å; L332-L359 HydrophobicContact CD2-CD1 4.28Å; F337-L359 HydrophobicContact CB-CD1 4.04Å; F337-L359 HydrophobicContact CD1-CB 3.82Å; F337-L359 HydrophobicContact CD1-CD1 4.01Å; F337-L359 HydrophobicContact CD1-CG 4.38Å; F337-L359 HydrophobicContact CD2-CD1 4.31Å; F337-L359 HydrophobicContact CE1-CB 3.83Å; F337-L359 HydrophobicContact CG-CB 4.5Å; F337-L359 HydrophobicContact CG-CD1 3.86Å; Q341-L359 HydrophobicContact CB-CD2 3.52Å; A345-L359 HydrophobicContact CB-CD1 4.2Å; A345-L359 HydrophobicContact CB-CD2 4.16Å; A345-L359 HydrophobicContact CB-CG 3.87Å; A355-L359 WeakPolarHBondContact O-CB 3.1Å; A355-L359 WeakPolarHBondContact O-CD1 3.11Å; A355-L359 WeakPolarHBondContact O-CG 3.44Å; A355-L359 PolarHBondContact O-N 2.9Å; V356-L359 PolarHBondContact O-N 2.88Å; L359-G361 VanDerWaalsContact C-N 3.31Å; L359-G361 PolarHBondContact O-N 3.06Å; L359-G362 PolarHBondContact O-N 3.08Å; L359-V364 HydrophobicContact CD2-CB 4.46Å; L359-V364 HydrophobicContact CD2-CG2 4.35Å
360V70.9Confident61.3Low108 Ų10874.5 Ų74.566%0.65545%0.445SS*.Hα-helixtrans-67.2-33.3175.9173.80000111.3F337 V356 G362F337-V360 HydrophobicContact CE1-CG2 4.15Å; F337-V360 HydrophobicContact CZ-CG2 3.84Å; V356-V360 HydrophobicContact CG1-CG2 4.01Å; V356-V360 WeakPolarHBondContact O-CB 3.32Å; V356-V360 VanDerWaalsContact O-CG2 3.29Å; V356-V360 WeakPolarHBondContact O-CG2 3.5Å; V356-V360 PolarHBondContact O-N 3.48Å; V360-G362 PolarHBondContact O-N 2.79Å
361G62.9Low59.8Low46 Ų4677.8 Ų77.847%0.47446%0.458SS..THydrogen-bonded Turntrans-74.2-4174.500000115.3S357 L358 L359 Q363S357-G361 PolarHBondContact O-N 3.28Å; L358-G361 PolarHBondContact O-N 3.39Å; L359-G361 VanDerWaalsContact C-N 3.31Å; L359-G361 PolarHBondContact O-N 3.06Å; G361-Q363 PolarHBondContact O-N 2.88Å
362G62.4Low58Low65 Ų6577.8 Ų77.867%0.6747%0.466SS*.THydrogen-bonded Turntrans67.617-179.600000115L358 L359 V360 V364L358-G362 PolarHBondContact O-N 3.33Å; L359-G362 PolarHBondContact O-N 3.08Å; V360-G362 PolarHBondContact O-N 2.79Å; G362-V364 VanDerWaalsContact C-N 3.27Å; G362-V364 PolarHBondContact O-N 3.18Å
363Q56.4Low56.2Low112 Ų11281 Ų8152%0.52350%0.502SS..  trans-89.319.1-171.9-60.8-174.25.600113.7L358 G361L358-Q363 HydrophobicContact CD2-CB 4.45Å; L358-Q363 PolarHBondContact O-N 3.4Å; L358-Q363 VanDerWaalsContact O-N 3.11Å; G361-Q363 PolarHBondContact O-N 2.88Å
364V54.8Low54.2Low11 Ų1183.9 Ų83.97%0.06751%0.513CS..  trans-127.298.8-174.6-171.90000109.7Q341 V344 A345 L358 L359 G362Q341-V364 HydrophobicContact CB-CB 4.48Å; Q341-V364 HydrophobicContact CB-CG1 3.87Å; Q341-V364 HydrophobicContact CG-CG1 4.21Å; V344-V364 HydrophobicContact CB-CG1 4.02Å; V344-V364 HydrophobicContact CG1-CG1 3.97Å; A345-V364 HydrophobicContact CB-CG2 4.14Å; L358-V364 HydrophobicContact CB-CG2 3.97Å; L359-V364 HydrophobicContact CD2-CB 4.46Å; L359-V364 HydrophobicContact CD2-CG2 4.35Å; G362-V364 VanDerWaalsContact C-N 3.27Å; G362-V364 PolarHBondContact O-N 3.18Å
365G52.9Low52.2Low40 Ų4086.4 Ų86.441%0.41254%0.539SS..  trans-69.8159.8171.600000112.5E367G365-E367 PolarHBondContact O-N 3.01Å
366T48.9Very low50.3Low124 Ų12489.8 Ų89.876%0.76157%0.574SS**SBendtrans-74.6-6.1177.546.30000114.2
367E45.7Very low49Very low160 Ų16094.2 Ų94.275%0.74860%0.603SS**SBendtrans-119153169.8-62.2-168.617800109.3G365 L369G365-E367 PolarHBondContact O-N 3.01Å; E367-L369 PolarHBondContact O-N 3.27Å
368T48Very low47Very low128 Ų12895 Ų9579%0.78561%0.614SS**SBendtrans-73.960.5-16053.30000114.9
369L40.4Very low45.1Very low134 Ų134102.1 Ų102.170%0.70265%0.647SS**  trans-135.797.7176-78.6165.1000109.3E367 T371E367-L369 PolarHBondContact O-N 3.27Å; L369-T371 PolarHBondContact O-N 3.22Å; L369-T371 VanDerWaalsContact O-N 3.15Å
370V36.5Very low43.2Very low67 Ų67105.9 Ų105.941%0.40667%0.674SS.*  trans-72.1103.1161.2177.20000106.8V344 A348 Q372V344-V370 HydrophobicContact CG1-CG2 4.16Å; A348-V370 HydrophobicContact CB-CG2 4.49Å; V370-Q372 PolarHBondContact O-N 2.81Å
371T36Very low41.3Very low107 Ų107109.4 Ų109.466%0.65668%0.684SS**  trans-68.3103.217848.90000109.7L369 G373L369-T371 PolarHBondContact O-N 3.22Å; L369-T371 VanDerWaalsContact O-N 3.15Å; T371-G373 PolarHBondContact O-N 3.37Å; T371-G373 VanDerWaalsContact O-N 3.13Å
372Q35.1Very low39.8Very low183 Ų183110.1 Ų110.186%0.85569%0.691SS**  trans-60.8115.6171.7-173.5-177.665.500109V370 K374V370-Q372 PolarHBondContact O-N 2.81Å; Q372-K374 PolarHBondContact O-N 3.12Å
373G31Very low38.9Very low84 Ų84113.3 Ų113.387%0.86670%0.7SS**  trans-65.5100.5-179.200000111.9T371T371-G373 PolarHBondContact O-N 3.37Å; T371-G373 VanDerWaalsContact O-N 3.13Å
374K30.5Very low37.6Very low195 Ų195111.2 Ų111.285%0.84871%0.708SS**  trans-100.8121.7164.3-170169.5-177175.10108.2Q372Q372-K374 PolarHBondContact O-N 3.12Å
375G30.1Very low36.9Very low78 Ų78116.4 Ų116.480%0.80474%0.742SS**  trans-72.1152.3-176.700000113.9
376G31.7Very low36.4Very low72 Ų72123.9 Ų123.974%0.74278%0.784SS**  trans90.6144.5-179.200000112.9
377P41.8Very low35.8Very low131 Ų131123.9 Ų123.985%0.85179%0.785SS**  cis-135.4-179.331.841.3-25000116
378A30.8Very low35.3Very low98 Ų98122 Ų12281%0.8179%0.787SS**  trans-136.6149.2154.100000109.1
379H29.5Very low34.6Very low185 Ų185121.7 Ų121.786%0.85679%0.787SS**  trans-70.7170.8178.5-56.4-53.3000112
380S30.9Very low34.2Very low96 Ų96120.9 Ų120.967%0.67179%0.792SS**  cis-141.4-162.410.6-55.80000110.3
381E31.4Very low34.1Very low181 Ų181124.3 Ų124.385%0.84682%0.816SS**  cis-154.2-165-0.9-148.4130.894.700110.5
382G30.4Very low33.9Very low62 Ų62125.5 Ų125.564%0.63983%0.827SS**  trans-108.2-169.4163.700000112.4
383P44.1Very low33.9Very low132 Ų132121.4 Ų121.486%0.85783%0.825SS**  cis-137.7177.87.843.1-26.6000116.1
384G28.4Very low34.1Very low67 Ų67124.2 Ų124.269%0.69182%0.822SS**  trans97.7135.3144.300000119
385P41.3Very low34.4Very low121 Ų121118.3 Ų118.379%0.78682%0.819SS**  trans-89.6-178.517244.1-39.3000110.5
386P42.4Very low34.8Very low197 Ų197122 Ų122100%1.27982%0.821SS**  cis-9503536.5-37.4000116.6

Retrieved 386 of 386 residues in 1702.2 ms (Link to these results)