A0A096NQB6_PAPAN Loading...

DNA-directed RNA polymerases I, II, and III subunit RPABC3

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I, II and III which synthesize ribosomal RNA precursors, mRNA precursors and many functional non-coding RNAs, and small RNAs, such as 5S rRNA and tRNAs, respectively.

AlphaFold DB (A0A1D5Q6K1), UniProt , Accession A0A096NQB6, Species PAPAN (Papio anubis, Olive baboon), Gene POLR2H, Length 175 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
1M48.7Very low76.6Confident227 Ų22759.5 Ų59.5100%1.11832%0.323SS*.  080.40-86.4163.2174.600109.1
2A54.5Low77.5Confident53 Ų5354.8 Ų54.844%0.43830%0.297SS..  trans-91.9149.8174.800000109.6R84A2-R84 PolarHBondContact O-NH1 2.94Å
3G64.8Low78.3Confident23 Ų2359.4 Ų59.424%0.23731%0.313CS..  trans866.1166.900000117.7A61 S62G3-A61 CarbonylContact O-C 3.49Å; G3-A61 WeakPolarHBondContact O-CA 3.12Å; G3-A61 WeakPolarHBondContact O-CB 3.48Å; G3-S62 PolarHBondContact O-N 2.92Å; G3-S62 PolarHBondContact O-OG 2.85Å
4I77.4Confident78.7Confident51 Ų5160.1 Ų60.126%0.26232%0.317SS..EExtended strand (participates in β ladder)trans-80.8118.8166.9-55.1-178.3000108.6E7 V59I4-E7 HydrophobicContact CG2-CB 4.21Å; I4-V59 HydrophobicContact CG2-CG1 4.05Å
5L80.6Confident78.9Confident81 Ų8158.5 Ų58.542%0.42431%0.308SS..EExtended strand (participates in β ladder)trans-89.3-33.1173.3-65.2177.5000111.3I60 R111L5-I60 HydrophobicContact CB-CG2 4.43Å; L5-I60 HydrophobicContact CD1-CG2 4.48Å; L5-I60 PolarHBondContact N-O 2.85Å; L5-R111 PolarHBondContact O-NE 2.8Å; L5-R111 PolarHBondContact O-NH2 2.91Å
6F81.5Confident78.7Confident25 Ų2556.9 Ų56.911%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-157.5139.9-175.3-170.8-102.8000110.6D8 F10 L58 V59 I60 L112F6-D8 HydrophobicContact CE1-CB 3.53Å; F6-D8 HydrophobicContact CE2-CB 4.48Å; F6-D8 HydrophobicContact CZ-CB 3.41Å; F6-D8 VanDerWaalsContact CZ-CB 3.41Å; F6-F10 AromaticContact CE1-CE2 3.96Å; F6-F10 HydrophobicContact CE1-CE2 3.96Å; F6-F10 AromaticContact CE1-CZ 3.99Å; F6-F10 HydrophobicContact CE1-CZ 3.99Å; F6-F10 HydrophobicContact CZ-CZ 4.46Å; F6-L58 HydrophobicContact CD1-CD2 4.06Å; F6-L58 HydrophobicContact CE1-CD2 4.42Å; F6-V59 CarbonylContact O-C 3.52Å; F6-V59 WeakPolarHBondContact O-CA 3.37Å; F6-I60 HydrophobicContact CB-CB 3.95Å; F6-I60 HydrophobicContact CB-CD1 4.13Å; F6-I60 HydrophobicContact CB-CG1 4.11Å; F6-I60 HydrophobicContact CD1-CD1 4.21Å; F6-I60 HydrophobicContact CD1-CG1 4.35Å; F6-I60 HydrophobicContact CG-CD1 4.5Å; F6-I60 PolarHBondContact N-O 3.26Å; F6-I60 PolarHBondContact O-N 2.87Å; F6-L112 HydrophobicContact CD1-CD2 4.45Å; F6-L112 HydrophobicContact CD2-CG 4.36Å; F6-L112 HydrophobicContact CE1-CD1 4.44Å; F6-L112 HydrophobicContact CE1-CD2 3.53Å; F6-L112 HydrophobicContact CE1-CG 4.09Å; F6-L112 HydrophobicContact CE2-CD1 3.4Å; F6-L112 HydrophobicContact CE2-CD2 3.95Å; F6-L112 HydrophobicContact CE2-CG 3.55Å; F6-L112 HydrophobicContact CZ-CD1 3.36Å; F6-L112 HydrophobicContact CZ-CD2 3.26Å; F6-L112 HydrophobicContact CZ-CG 3.42Å; F6-L112 VanDerWaalsContact CZ-CG 3.42Å
7E84.4Confident78Confident88 Ų8857.5 Ų57.541%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-146.4125.5172.9170.5167.2-164.700107.9I4 R57 L58 V59I4-E7 HydrophobicContact CG2-CB 4.21Å; E7-R57 WeakPolarHBondContact OE1-CD 3.49Å; E7-R57 IonicContact OE1-CZ 3.01Å; E7-R57 IonicContact OE1-NE 2.76Å; E7-R57 IonicContact OE1-NH1 3.7Å; E7-R57 PolarHBondContact OE1-NH1 2.76Å; E7-L58 WeakPolarHBondContact CA-O 3.27Å; E7-V59 HydrophobicContact CB-CG2 4.14Å; E7-V59 HydrophobicContact CG-CG2 3.87Å
8D84.9Confident77.1Confident10 Ų1061.3 Ų61.35%0.05332%0.324CS..EExtended strand (participates in β ladder)trans-156.9162.5176.6-158.13.7000111.4F6 F10 S32 F35 L58F6-D8 HydrophobicContact CE1-CB 3.53Å; F6-D8 HydrophobicContact CE2-CB 4.48Å; F6-D8 HydrophobicContact CZ-CB 3.41Å; F6-D8 VanDerWaalsContact CZ-CB 3.41Å; D8-F10 HydrophobicContact CB-CD2 4.48Å; D8-F10 HydrophobicContact CB-CE2 3.89Å; D8-F10 HydrophobicContact CB-CZ 4.31Å; D8-S32 WeakPolarHBondContact OD2-CB 3.41Å; D8-F35 WeakPolarHBondContact OD2-CD2 3.43Å; D8-L58 PolarHBondContact N-O 2.83Å; D8-L58 PolarHBondContact O-N 3.44Å
9I88.6Confident76.1Confident74 Ų7460.3 Ų60.338%0.37933%0.329SS..EExtended strand (participates in β ladder)trans-102.1125.1175.8-58.4174.2000108.3E33 R57I9-E33 PolarHBondContact O-N 3.02Å; I9-R57 HydrophobicContact CG1-CB 4.46Å; I9-R57 HydrophobicContact CG1-CG 4.38Å
10F87.9Confident75.6Confident1 Ų162.9 Ų62.90%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-113.3142.7179.8-70.6-86000111.2F6 D8 C30 L39 K55 F56 L58 L112F6-F10 AromaticContact CE1-CE2 3.96Å; F6-F10 HydrophobicContact CE1-CE2 3.96Å; F6-F10 AromaticContact CE1-CZ 3.99Å; F6-F10 HydrophobicContact CE1-CZ 3.99Å; F6-F10 HydrophobicContact CZ-CZ 4.46Å; D8-F10 HydrophobicContact CB-CD2 4.48Å; D8-F10 HydrophobicContact CB-CE2 3.89Å; D8-F10 HydrophobicContact CB-CZ 4.31Å; F10-C30 HydrophobicContact CB-CB 3.95Å; F10-C30 HydrophobicContact CD1-CB 4.26Å; F10-C30 HydrophobicContact CG-CB 4.45Å; F10-L39 HydrophobicContact CD1-CB 3.93Å; F10-L39 HydrophobicContact CD1-CD2 4.19Å; F10-L39 HydrophobicContact CD2-CD2 4.25Å; F10-L39 HydrophobicContact CE1-CB 3.66Å; F10-L39 HydrophobicContact CE1-CD2 4.21Å; F10-L39 HydrophobicContact CE1-CG 4.44Å; F10-L39 HydrophobicContact CE2-CD2 4.27Å; F10-L39 HydrophobicContact CG-CD2 4.19Å; F10-L39 HydrophobicContact CZ-CB 4.25Å; F10-L39 HydrophobicContact CZ-CD2 4.22Å; F10-K55 WeakPolarHBondContact O-CA 3.23Å; F10-F56 HydrophobicContact CB-CE1 4.11Å; F10-F56 HydrophobicContact CB-CE2 4.04Å; F10-F56 HydrophobicContact CB-CZ 3.8Å; F10-F56 HydrophobicContact CD2-CE2 4.46Å; F10-F56 PolarHBondContact N-O 2.92Å; F10-F56 PolarHBondContact O-N 3.24Å; F10-L58 HydrophobicContact CD2-CB 3.74Å; F10-L58 HydrophobicContact CE2-CB 3.83Å; F10-L58 HydrophobicContact CE2-CD2 4.25Å; F10-L58 HydrophobicContact CE2-CG 4.43Å; F10-L112 HydrophobicContact CE1-CD2 4.17Å; F10-L112 HydrophobicContact CZ-CD2 3.58Å
11D88.9Confident75.1Confident22 Ų2266.4 Ų66.412%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-109.2125.6176.8-162.8-105.2000108.3K13 C30 E31 K55D11-K13 PolarHBondContact O-N 3.48Å; D11-K13 IonicContact OD1-NZ 2.67Å; D11-K13 PolarHBondContact OD1-NZ 3.39Å; D11-C30 CarbonylContact O-C 3.58Å; D11-C30 VanDerWaalsContact O-CA 3.25Å; D11-C30 WeakPolarHBondContact O-CA 3.36Å; D11-E31 PolarHBondContact N-O 3.02Å; D11-E31 PolarHBondContact O-N 2.87Å; D11-K55 VanDerWaalsContact OD2-CE 3.23Å; D11-K55 WeakPolarHBondContact OD2-CE 3.25Å; D11-K55 WeakPolarHBondContact OD2-CG 3.39Å; D11-K55 IonicContact OD2-NZ 3.79Å; D11-K55 PolarHBondContact OD2-NZ 2.88Å
12V87.7Confident76Confident2 Ų262.6 Ų62.61%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-74.1109.8178.1-1790000108.8I15 L28 V50 G53 D54 F56V12-I15 HydrophobicContact CG1-CD1 4.06Å; V12-I15 HydrophobicContact CG1-CG1 3.72Å; V12-L28 HydrophobicContact CG1-CD2 4.39Å; V12-V50 HydrophobicContact CG2-CG1 3.88Å; V12-G53 WeakPolarHBondContact O-CA 3.16Å; V12-G53 PolarHBondContact O-N 3.45Å; V12-D54 HydrophobicContact CG2-CB 4.38Å; V12-D54 WeakPolarHBondContact CG2-O 3.26Å; V12-D54 PolarHBondContact N-O 3.49Å; V12-F56 HydrophobicContact CG2-CD1 3.99Å; V12-F56 HydrophobicContact CG2-CE1 3.63Å
13K87.9Confident76.7Confident115 Ų11566 Ų6650%0.534%0.338SS..EExtended strand (participates in β ladder)trans-87.8-40.1178.6-66.8-57.9-176-155.90112.6D11 H29 E31D11-K13 PolarHBondContact O-N 3.48Å; D11-K13 IonicContact OD1-NZ 2.67Å; D11-K13 PolarHBondContact OD1-NZ 3.39Å; K13-H29 PolarHBondContact N-O 2.74Å; K13-E31 VanDerWaalsContact CE-OE1 3.26Å; K13-E31 WeakPolarHBondContact CE-OE1 3.46Å; K13-E31 HydrophobicContact CG-CB 3.88Å
14D84.5Confident77.3Confident69 Ų6971.5 Ų71.537%0.36935%0.351SS..EExtended strand (participates in β ladder)trans-149149.9-175.9-16015.8000111.4P17 H29D14-P17 WeakPolarHBondContact OD2-CB 3.27Å; D14-H29 HydrophobicContact CB-CB 4.12Å; D14-H29 PolarHBondContact N-O 2.96Å; D14-H29 PolarHBondContact O-N 2.92Å
15I81.1Confident77.4Confident37 Ų3772 Ų7219%0.1936%0.356CS..EExtended strand (participates in β ladder)trans-127.7120179.2-57.1-174.7000107V12 L28 L52V12-I15 HydrophobicContact CG1-CD1 4.06Å; V12-I15 HydrophobicContact CG1-CG1 3.72Å; I15-L28 HydrophobicContact CB-CD2 4.26Å; I15-L28 HydrophobicContact CD1-CD2 3.8Å; I15-L28 HydrophobicContact CG1-CD2 3.59Å; I15-L28 HydrophobicContact CG2-CD2 3.97Å; I15-L52 HydrophobicContact CB-CD2 4.13Å; I15-L52 HydrophobicContact CB-CG 4.39Å; I15-L52 HydrophobicContact CD1-CD2 4.21Å; I15-L52 HydrophobicContact CD1-CG 3.88Å; I15-L52 HydrophobicContact CG1-CD2 3.68Å; I15-L52 HydrophobicContact CG1-CG 3.9Å
16D75.5Confident77.4Confident32 Ų3268.3 Ų68.317%0.17134%0.337CS..  trans5663.6177.9-63.3-49.1000114.7E18 G19 S26 R27D16-E18 PolarHBondContact O-N 3.03Å; D16-G19 PolarHBondContact O-N 3.24Å; D16-S26 VanDerWaalsContact OD2-CB 3.26Å; D16-S26 WeakPolarHBondContact OD2-CB 3.37Å; D16-S26 PolarHBondContact OD2-OG 2.87Å; D16-R27 PolarHBondContact N-O 3.46Å; D16-R27 PolarHBondContact OD1-N 2.97Å
17P67.3Low77.4Confident67 Ų6769.4 Ų69.444%0.43534%0.341SS..THydrogen-bonded Turntrans-61-18178.621.7-32.5000114.5D14 H29D14-P17 WeakPolarHBondContact OD2-CB 3.27Å; P17-H29 WeakPolarHBondContact CG-NE2 3.33Å
18E62Low77.4Confident127 Ų12765.3 Ų65.359%0.59332%0.322SS*.THydrogen-bonded Turntrans-98.87.3176.7-60-165134.100113.5D16 K21D16-E18 PolarHBondContact O-N 3.03Å; E18-K21 IonicContact OE2-NZ 2.8Å; E18-K21 PolarHBondContact OE2-NZ 2.96Å
19G58.1Low77.4Confident41 Ų4166.6 Ų66.642%0.42333%0.327SS..  trans82.1152.7-173.100000113.1D16 K21D16-G19 PolarHBondContact O-N 3.24Å; G19-K21 PolarHBondContact O-N 2.73Å
20K65.4Low77.2Confident113 Ų11363.2 Ų63.249%0.49131%0.31SS..  trans-66.791.6-174.5-156.7-176.5-172-158.10111F22 D23K20-F22 WeakPolarHBondContact CG-O 3.36Å; K20-D23 PolarHBondContact NZ-O 2.77Å; K20-D23 IonicContact NZ-OD2 3.52Å; K20-D23 PolarHBondContact NZ-OD2 2.94Å
21K65.6Low77.1Confident136 Ų13666.9 Ų66.959%0.59133%0.327SS*.SBendtrans-77.7-23.6176.2-70.4174-176.7167.70112.1E18 G19E18-K21 IonicContact OE2-NZ 2.8Å; E18-K21 PolarHBondContact OE2-NZ 2.96Å; G19-K21 PolarHBondContact O-N 2.73Å
22F67.1Low76.9Confident147 Ų14766 Ų6665%0.64532%0.323SS*.  trans-133.9136.3-177.7-60.9-76.8000110.8K20K20-F22 WeakPolarHBondContact CG-O 3.36Å
23D70.3Confident76.5Confident125 Ų12572 Ų7267%0.66835%0.351SS*.SBendtrans-80.3-21-176.3-159-117.8000113.4K20 I45K20-D23 PolarHBondContact NZ-O 2.77Å; K20-D23 IonicContact NZ-OD2 3.52Å; K20-D23 PolarHBondContact NZ-OD2 2.94Å; D23-I45 WeakPolarHBondContact O-CD1 3.26Å
24R77.3Confident75.8Confident138 Ų13870.5 Ų70.552%0.52136%0.355SS..SBendtrans-106.9-19.7-174.3-61.2-177.3-177169.5-1.4114.4N44 I45R24-N44 WeakPolarHBondContact O-CA 3.26Å; R24-N44 PolarHBondContact O-OD1 2.98Å; R24-I45 PolarHBondContact O-N 3.01Å; R24-I45 VanDerWaalsContact O-N 3.14Å
25V79.4Confident75.1Confident61 Ų6172.7 Ų72.737%0.3736%0.361SS..EExtended strand (participates in β ladder)trans-127.2129.5-178.5-178.90000107.5D42 V43V25-D42 HydrophobicContact CG1-CB 4.1Å; V25-V43 WeakPolarHBondContact CA-O 3.22Å
26S78.9Confident74.7Confident4 Ų479.7 Ų79.73%0.02839%0.39CS..EExtended strand (participates in β ladder)trans-119.4145.7175.1-77.20000110.2D16 D42 V43D16-S26 VanDerWaalsContact OD2-CB 3.26Å; D16-S26 WeakPolarHBondContact OD2-CB 3.37Å; D16-S26 PolarHBondContact OD2-OG 2.87Å; S26-D42 WeakPolarHBondContact O-CA 3.48Å; S26-V43 PolarHBondContact N-O 3.27Å; S26-V43 PolarHBondContact O-N 3.31Å
27R82.8Confident74.9Confident48 Ų4879.3 Ų79.318%0.18139%0.388CS..EExtended strand (participates in β ladder)trans-92.8108.1175.3-178.3161.9-68.8178.2-3.1109.4D16 I40 D42 A117D16-R27 PolarHBondContact N-O 3.46Å; D16-R27 PolarHBondContact OD1-N 2.97Å; R27-I40 HydrophobicContact CG-CG2 3.58Å; R27-D42 WeakPolarHBondContact CB-OD1 3.48Å; R27-D42 IonicContact CZ-OD1 2.76Å; R27-D42 IonicContact CZ-OD2 2.77Å; R27-D42 IonicContact NE-OD1 2.89Å; R27-D42 PolarHBondContact NE-OD1 2.84Å; R27-D42 IonicContact NE-OD2 3.35Å; R27-D42 IonicContact NH2-OD1 3.44Å; R27-D42 PolarHBondContact NH2-OD1 3.37Å; R27-D42 IonicContact NH2-OD2 3.56Å; R27-D42 PolarHBondContact NH2-OD2 2.9Å; R27-A117 VanDerWaalsContact CZ-O 3.23Å; R27-A117 PolarHBondContact NH1-O 2.8Å; R27-A117 VanDerWaalsContact NH2-CB 3.35Å; R27-A117 PolarHBondContact NH2-O 3.06Å
28L84.6Confident75.5Confident2 Ų279 Ų791%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-86.1132.6176.5-55.6-179.7000110V12 I15 I40 L41 V43 V50V12-L28 HydrophobicContact CG1-CD2 4.39Å; I15-L28 HydrophobicContact CB-CD2 4.26Å; I15-L28 HydrophobicContact CD1-CD2 3.8Å; I15-L28 HydrophobicContact CG1-CD2 3.59Å; I15-L28 HydrophobicContact CG2-CD2 3.97Å; L28-I40 CarbonylContact O-C 3.35Å; L28-I40 WeakPolarHBondContact O-CA 3.44Å; L28-L41 WeakPolarHBondContact CB-O 3.44Å; L28-L41 PolarHBondContact N-O 3.01Å; L28-L41 PolarHBondContact O-N 2.83Å; L28-V43 HydrophobicContact CD1-CB 4.39Å; L28-V43 HydrophobicContact CD1-CG1 3.96Å; L28-V43 HydrophobicContact CD1-CG2 3.5Å; L28-V43 HydrophobicContact CD2-CG2 4.46Å; L28-V43 HydrophobicContact CG-CG2 3.84Å; L28-V50 HydrophobicContact CD1-CB 4.29Å; L28-V50 HydrophobicContact CD1-CG1 4Å; L28-V50 HydrophobicContact CD1-CG2 4.3Å; L28-V50 HydrophobicContact CD2-CG1 4.39Å
29H85.4Confident76.3Confident38 Ų3873.4 Ų73.418%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-102.5110.9166.3-80.1-107.1000108.2K13 D14 P17K13-H29 PolarHBondContact N-O 2.74Å; D14-H29 HydrophobicContact CB-CB 4.12Å; D14-H29 PolarHBondContact N-O 2.96Å; D14-H29 PolarHBondContact O-N 2.92Å; P17-H29 WeakPolarHBondContact CG-NE2 3.33Å
30C84.6Confident77.6Confident3 Ų371.7 Ų71.72%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-118.3143.9-177.4-42.80000110.5F10 D11 L39 F56F10-C30 HydrophobicContact CB-CB 3.95Å; F10-C30 HydrophobicContact CD1-CB 4.26Å; F10-C30 HydrophobicContact CG-CB 4.45Å; D11-C30 CarbonylContact O-C 3.58Å; D11-C30 VanDerWaalsContact O-CA 3.25Å; D11-C30 WeakPolarHBondContact O-CA 3.36Å; C30-L39 HydrophobicContact CB-CB 4.3Å; C30-L39 HydrophobicContact CB-CD2 4.49Å; C30-L39 PolarHBondContact N-O 2.89Å; C30-L39 PolarHBondContact O-N 3.2Å; C30-L39 VanDerWaalsContact O-O 3.14Å; C30-F56 HydrophobicContact CB-CE1 4.28Å; C30-F56 HydrophobicContact CB-CZ 4.16Å; C30-F56 VanDerWaalsContact SG-CE1 3.58Å; C30-F56 VanDerWaalsContact SG-CZ 3.6Å
31E85.1Confident78.5Confident78 Ų7867.4 Ų67.436%0.36432%0.32SS..EExtended strand (participates in β ladder)trans-115.3136.9176.7-172.9177.960.600108.7D11 K13D11-E31 PolarHBondContact N-O 3.02Å; D11-E31 PolarHBondContact O-N 2.87Å; K13-E31 VanDerWaalsContact CE-OE1 3.26Å; K13-E31 WeakPolarHBondContact CE-OE1 3.46Å; K13-E31 HydrophobicContact CG-CB 3.88Å
32S83.6Confident79.4Confident4 Ų463.7 Ų63.73%0.02831%0.307CS..EExtended strand (participates in β ladder)trans-74.9140.8174.866.70000112.1D8 F35 K36 M37D8-S32 WeakPolarHBondContact OD2-CB 3.41Å; S32-F35 PolarHBondContact OG-N 3.35Å; S32-K36 PolarHBondContact OG-N 3.03Å; S32-M37 PolarHBondContact N-O 3.14Å; S32-M37 PolarHBondContact OG-N 3.02Å
33E81.1Confident80Confident127 Ų12757 Ų5759%0.59328%0.278SS*.THydrogen-bonded Turntrans-71-36.8178-166.6171.3103.400111.5I9 K55I9-E33 PolarHBondContact O-N 3.02Å; E33-K55 IonicContact OE2-NZ 2.86Å; E33-K55 PolarHBondContact OE2-NZ 3.03Å
34S72.3Confident80.6Confident83 Ų8352.9 Ų52.958%0.5826%0.256SS*.THydrogen-bonded Turntrans-91.4-36-169.9-57.20000114
35F69.3Low80.7Confident116 Ų11648.3 Ų48.351%0.50924%0.241SC..THydrogen-bonded Turntrans-119.33.1-164.7-67-76.1000115.2D8 S32 M37 L112D8-F35 WeakPolarHBondContact OD2-CD2 3.43Å; S32-F35 PolarHBondContact OG-N 3.35Å; F35-M37 HydrophobicContact CB-CE 3.68Å; F35-M37 HydrophobicContact CB-CG 3.74Å; F35-M37 HydrophobicContact CD1-CE 4.36Å; F35-M37 HydrophobicContact CG-CE 4.21Å; F35-M37 WeakPolarHBondContact O-CG 3.46Å; F35-M37 PolarHBondContact O-N 2.85Å; F35-L112 HydrophobicContact CB-CD1 4.38Å
36K74.1Confident80.6Confident184 Ų18451.4 Ų51.480%0.825%0.252SS*.  trans48.645.4-175.3-65-174.2176.2-178.60112.4S32S32-K36 PolarHBondContact OG-N 3.03Å
37M78.1Confident80.8Confident23 Ų2353.9 Ų53.911%0.11326%0.264CS..  trans-109.9137.9179.5-51.8-140.8-149.700110.1S32 F35 L112S32-M37 PolarHBondContact N-O 3.14Å; S32-M37 PolarHBondContact OG-N 3.02Å; F35-M37 HydrophobicContact CB-CE 3.68Å; F35-M37 HydrophobicContact CB-CG 3.74Å; F35-M37 HydrophobicContact CD1-CE 4.36Å; F35-M37 HydrophobicContact CG-CE 4.21Å; F35-M37 WeakPolarHBondContact O-CG 3.46Å; F35-M37 PolarHBondContact O-N 2.85Å; M37-L112 HydrophobicContact CB-CB 3.77Å; M37-L112 HydrophobicContact CB-CD1 3.79Å; M37-L112 HydrophobicContact CB-CD2 4.11Å; M37-L112 HydrophobicContact CB-CG 4.11Å; M37-L112 HydrophobicContact CE-CB 4.27Å; M37-L112 HydrophobicContact CE-CD1 3.34Å; M37-L112 HydrophobicContact CE-CG 4.42Å; M37-L112 HydrophobicContact CG-CB 3.96Å; M37-L112 HydrophobicContact CG-CD1 3.54Å; M37-L112 HydrophobicContact CG-CG 4.28Å; M37-L112 HydrophobicContact SD-CB 3.12Å; M37-L112 WeakPolarHBondContact SD-CB 3.12Å; M37-L112 HydrophobicContact SD-CD1 3.14Å; M37-L112 WeakPolarHBondContact SD-CD1 3.45Å; M37-L112 HydrophobicContact SD-CG 3.74Å
38D79.8Confident80.6Confident61 Ų6154.7 Ų54.733%0.32627%0.268SS..EExtended strand (participates in β ladder)trans-91124-178.7-57.5-54.3000110.7R114D38-R114 HydrophobicContact CB-CG 4.16Å; D38-R114 WeakPolarHBondContact O-CG 3.36Å; D38-R114 PolarHBondContact O-N 3.22Å; D38-R114 IonicContact OD2-CZ 3.38Å; D38-R114 IonicContact OD2-NE 3.78Å; D38-R114 PolarHBondContact OD2-NE 3.35Å; D38-R114 IonicContact OD2-NH2 3.33Å; D38-R114 PolarHBondContact OD2-NH2 2.86Å
39L80.3Confident80.4Confident9 Ų959.3 Ų59.35%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-109.8138.6172.1-174.678.1000109.4F10 C30 L41 F56 L58F10-L39 HydrophobicContact CD1-CB 3.93Å; F10-L39 HydrophobicContact CD1-CD2 4.19Å; F10-L39 HydrophobicContact CD2-CD2 4.25Å; F10-L39 HydrophobicContact CE1-CB 3.66Å; F10-L39 HydrophobicContact CE1-CD2 4.21Å; F10-L39 HydrophobicContact CE1-CG 4.44Å; F10-L39 HydrophobicContact CE2-CD2 4.27Å; F10-L39 HydrophobicContact CG-CD2 4.19Å; F10-L39 HydrophobicContact CZ-CB 4.25Å; F10-L39 HydrophobicContact CZ-CD2 4.22Å; C30-L39 HydrophobicContact CB-CB 4.3Å; C30-L39 HydrophobicContact CB-CD2 4.49Å; C30-L39 PolarHBondContact N-O 2.89Å; C30-L39 PolarHBondContact O-N 3.2Å; C30-L39 VanDerWaalsContact O-O 3.14Å; L39-L41 HydrophobicContact CD2-CB 4.3Å; L39-L41 HydrophobicContact CG-CB 4.48Å; L39-F56 HydrophobicContact CD2-CZ 4.39Å; L39-L58 HydrophobicContact CD2-CD1 3.7Å
40I85.3Confident80.3Confident6 Ų658.3 Ų58.33%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-123.791.7175.8-60.1177.1000108.4R27 L28 W115 R116R27-I40 HydrophobicContact CG-CG2 3.58Å; L28-I40 CarbonylContact O-C 3.35Å; L28-I40 WeakPolarHBondContact O-CA 3.44Å; I40-W115 VanDerWaalsContact CB-O 3.28Å; I40-W115 WeakPolarHBondContact CB-O 3.25Å; I40-W115 VanDerWaalsContact CG2-O 3.26Å; I40-W115 WeakPolarHBondContact CG2-O 3.42Å; I40-W115 CarbonylContact O-C 3.37Å; I40-W115 WeakPolarHBondContact O-CB 3.28Å; I40-R116 HydrophobicContact CD1-CB 3.86Å; I40-R116 HydrophobicContact CD1-CG 3.55Å; I40-R116 HydrophobicContact CG2-CG 4.33Å
41L83.7Confident80.3Confident22 Ų2263.5 Ų63.512%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-103.6127.6-172-170.163.6000111.2L28 L39 V43 L58 M92L28-L41 WeakPolarHBondContact CB-O 3.44Å; L28-L41 PolarHBondContact N-O 3.01Å; L28-L41 PolarHBondContact O-N 2.83Å; L39-L41 HydrophobicContact CD2-CB 4.3Å; L39-L41 HydrophobicContact CG-CB 4.48Å; L41-V43 HydrophobicContact CB-CG1 4.43Å; L41-V43 HydrophobicContact CD2-CG1 3.67Å; L41-V43 HydrophobicContact CG-CG1 3.73Å; L41-L58 HydrophobicContact CD2-CD1 4.42Å; L41-M92 HydrophobicContact CD1-CE 3.93Å; L41-M92 HydrophobicContact CD2-CE 4.1Å; L41-M92 HydrophobicContact CG-CE 4.34Å
42D83.5Confident80.3Confident58 Ų5865.2 Ų65.231%0.3133%0.333SS..EExtended strand (participates in β ladder)trans-83.8116168.3-66.6-50.2000108.6V25 S26 R27V25-D42 HydrophobicContact CG1-CB 4.1Å; S26-D42 WeakPolarHBondContact O-CA 3.48Å; R27-D42 WeakPolarHBondContact CB-OD1 3.48Å; R27-D42 IonicContact CZ-OD1 2.76Å; R27-D42 IonicContact CZ-OD2 2.77Å; R27-D42 IonicContact NE-OD1 2.89Å; R27-D42 PolarHBondContact NE-OD1 2.84Å; R27-D42 IonicContact NE-OD2 3.35Å; R27-D42 IonicContact NH2-OD1 3.44Å; R27-D42 PolarHBondContact NH2-OD1 3.37Å; R27-D42 IonicContact NH2-OD2 3.56Å; R27-D42 PolarHBondContact NH2-OD2 2.9Å
43V81Confident80.4Confident6 Ų667.2 Ų67.24%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-121151.2179.4-57.50000111.6V25 S26 L28 L41 I45V25-V43 WeakPolarHBondContact CA-O 3.22Å; S26-V43 PolarHBondContact N-O 3.27Å; S26-V43 PolarHBondContact O-N 3.31Å; L28-V43 HydrophobicContact CD1-CB 4.39Å; L28-V43 HydrophobicContact CD1-CG1 3.96Å; L28-V43 HydrophobicContact CD1-CG2 3.5Å; L28-V43 HydrophobicContact CD2-CG2 4.46Å; L28-V43 HydrophobicContact CG-CG2 3.84Å; L41-V43 HydrophobicContact CB-CG1 4.43Å; L41-V43 HydrophobicContact CD2-CG1 3.67Å; L41-V43 HydrophobicContact CG-CG1 3.73Å; V43-I45 HydrophobicContact CG2-CG2 4.25Å; V43-I45 PolarHBondContact O-N 2.83Å
44N82.5Confident80.8Confident40 Ų4064.4 Ų64.421%0.21434%0.343CS..EExtended strand (participates in β ladder)trans-85.6101.4174.3-177.9-7000110.4R24 Q46 I47 Y48R24-N44 WeakPolarHBondContact O-CA 3.26Å; R24-N44 PolarHBondContact O-OD1 2.98Å; N44-Q46 PolarHBondContact O-N 3.18Å; N44-Q46 VanDerWaalsContact OD1-CB 3.27Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.28Å; N44-Q46 PolarHBondContact OD1-N 3.43Å; N44-I47 HydrophobicContact CB-CD1 3.91Å; N44-I47 HydrophobicContact CB-CG1 3.8Å; N44-I47 VanDerWaalsContact O-CG1 3.28Å; N44-I47 WeakPolarHBondContact O-CG1 2.76Å; N44-I47 PolarHBondContact O-N 2.82Å; N44-Y48 PolarHBondContact O-N 3.47Å; N44-Y48 VanDerWaalsContact O-N 3.15Å
45I80.2Confident81.6Confident42 Ų4266.2 Ų66.222%0.21534%0.341CS..THydrogen-bonded Turntrans-68.1-14.1-177.258159.8000114D23 R24 V43 Y48D23-I45 WeakPolarHBondContact O-CD1 3.26Å; R24-I45 PolarHBondContact O-N 3.01Å; R24-I45 VanDerWaalsContact O-N 3.14Å; V43-I45 HydrophobicContact CG2-CG2 4.25Å; V43-I45 PolarHBondContact O-N 2.83Å; I45-Y48 WeakPolarHBondContact CA-O 3.45Å
46Q77.5Confident82.4Confident125 Ų12562.4 Ų62.458%0.58432%0.324SS*.THydrogen-bonded Turntrans-73.2-33.7177.9-172.4-176.8-14.600112N44N44-Q46 PolarHBondContact O-N 3.18Å; N44-Q46 VanDerWaalsContact OD1-CB 3.27Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.28Å; N44-Q46 PolarHBondContact OD1-N 3.43Å
47I81.6Confident83Confident57 Ų5760 Ų6029%0.29231%0.31SS..THydrogen-bonded Turntrans-100.4-28.1-176.758.8179.8000112.1N44 Y90 I155N44-I47 HydrophobicContact CB-CD1 3.91Å; N44-I47 HydrophobicContact CB-CG1 3.8Å; N44-I47 VanDerWaalsContact O-CG1 3.28Å; N44-I47 WeakPolarHBondContact O-CG1 2.76Å; N44-I47 PolarHBondContact O-N 2.82Å; I47-Y90 HydrophobicContact CD1-CE2 3.7Å; I47-Y90 HydrophobicContact CG1-CE2 4.09Å; I47-I155 HydrophobicContact CB-CG2 4.37Å; I47-I155 HydrophobicContact CG2-CB 4.19Å; I47-I155 HydrophobicContact CG2-CD1 3.72Å; I47-I155 HydrophobicContact CG2-CG1 3.79Å; I47-I155 HydrophobicContact CG2-CG2 3.49Å; I47-I155 VanDerWaalsContact CG2-CG2 3.49Å
48Y79.6Confident83.3Confident65 Ų6560.2 Ų60.226%0.25531%0.311SS..SBendtrans-135.890.8178.1-168.7-105.2000108.7N44 I45 V50 E89 Y90N44-Y48 PolarHBondContact O-N 3.47Å; N44-Y48 VanDerWaalsContact O-N 3.15Å; I45-Y48 WeakPolarHBondContact CA-O 3.45Å; Y48-V50 HydrophobicContact CD1-CG2 3.36Å; Y48-V50 HydrophobicContact CE1-CG2 3.44Å; Y48-V50 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V50 PolarHBondContact O-N 3.26Å; Y48-E89 HydrophobicContact CE2-CB 4.01Å; Y48-E89 WeakPolarHBondContact CE2-OE2 3.33Å; Y48-Y90 HydrophobicContact CG-CD2 4.37Å; Y48-Y90 HydrophobicContact CG-CG 4.48Å
49P80.6Confident83.6Confident98 Ų9858.9 Ų58.964%0.63631%0.305SS*.  trans-68.2129.8177.829-32.8000109.2
50V82.4Confident83.8Confident18 Ų1861.8 Ų61.811%0.10932%0.32CS..  trans-126.5133.1178.9-178.10000108.5V12 L28 Y48 D54V12-V50 HydrophobicContact CG2-CG1 3.88Å; L28-V50 HydrophobicContact CD1-CB 4.29Å; L28-V50 HydrophobicContact CD1-CG1 4Å; L28-V50 HydrophobicContact CD1-CG2 4.3Å; L28-V50 HydrophobicContact CD2-CG1 4.39Å; Y48-V50 HydrophobicContact CD1-CG2 3.36Å; Y48-V50 HydrophobicContact CE1-CG2 3.44Å; Y48-V50 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V50 PolarHBondContact O-N 3.26Å; V50-D54 HydrophobicContact CG1-CB 4.28Å
51D84.5Confident83.7Confident112 Ų11263.5 Ų63.560%0.59934%0.335SS*.  trans-103.8160.4178.9-73.5-62.8000112.2G53 D54D51-G53 PolarHBondContact O-N 3.39Å; D51-D54 PolarHBondContact N-OD2 3.15Å; D51-D54 WeakPolarHBondContact O-CB 3.34Å; D51-D54 PolarHBondContact O-N 3.29Å
52L86.3Confident83.4Confident114 Ų11466 Ų6660%0.59736%0.355SS*.THydrogen-bonded Turntrans-64.5127174.7-79.3158.6000110.2I15I15-L52 HydrophobicContact CB-CD2 4.13Å; I15-L52 HydrophobicContact CB-CG 4.39Å; I15-L52 HydrophobicContact CD1-CD2 4.21Å; I15-L52 HydrophobicContact CD1-CG 3.88Å; I15-L52 HydrophobicContact CG1-CD2 3.68Å; I15-L52 HydrophobicContact CG1-CG 3.9Å
53G85.7Confident83.1Confident46 Ų4663.7 Ų63.747%0.47434%0.343SS..THydrogen-bonded Turntrans89.43.2-178.500000114.7V12 D51V12-G53 WeakPolarHBondContact O-CA 3.16Å; V12-G53 PolarHBondContact O-N 3.45Å; D51-G53 PolarHBondContact O-N 3.39Å
54D88.4Confident82.7Confident67 Ų6765.5 Ų65.536%0.35835%0.352SS..  trans-67145.1173.1-80-15.6000111.9V12 V50 D51V12-D54 HydrophobicContact CG2-CB 4.38Å; V12-D54 WeakPolarHBondContact CG2-O 3.26Å; V12-D54 PolarHBondContact N-O 3.49Å; V50-D54 HydrophobicContact CG1-CB 4.28Å; D51-D54 PolarHBondContact N-OD2 3.15Å; D51-D54 WeakPolarHBondContact O-CB 3.34Å; D51-D54 PolarHBondContact O-N 3.29Å
55K89Confident82.1Confident122 Ų12265.5 Ų65.553%0.5335%0.349SS..EExtended strand (participates in β ladder)trans-109.4124.9174.2-68.1175.5-178.9-720109F10 D11 E33F10-K55 WeakPolarHBondContact O-CA 3.23Å; D11-K55 VanDerWaalsContact OD2-CE 3.23Å; D11-K55 WeakPolarHBondContact OD2-CE 3.25Å; D11-K55 WeakPolarHBondContact OD2-CG 3.39Å; D11-K55 IonicContact OD2-NZ 3.79Å; D11-K55 PolarHBondContact OD2-NZ 2.88Å; E33-K55 IonicContact OE2-NZ 2.86Å; E33-K55 PolarHBondContact OE2-NZ 3.03Å
56F85.8Confident81.4Confident36 Ų3669.1 Ų69.116%0.15837%0.365CS..EExtended strand (participates in β ladder)trans-130.9151.8175.964.6-87.3000111.1F10 V12 C30 L39 L58F10-F56 HydrophobicContact CB-CE1 4.11Å; F10-F56 HydrophobicContact CB-CE2 4.04Å; F10-F56 HydrophobicContact CB-CZ 3.8Å; F10-F56 HydrophobicContact CD2-CE2 4.46Å; F10-F56 PolarHBondContact N-O 2.92Å; F10-F56 PolarHBondContact O-N 3.24Å; V12-F56 HydrophobicContact CG2-CD1 3.99Å; V12-F56 HydrophobicContact CG2-CE1 3.63Å; C30-F56 HydrophobicContact CB-CE1 4.28Å; C30-F56 HydrophobicContact CB-CZ 4.16Å; C30-F56 VanDerWaalsContact SG-CE1 3.58Å; C30-F56 VanDerWaalsContact SG-CZ 3.6Å; L39-F56 HydrophobicContact CD2-CZ 4.39Å; F56-L58 HydrophobicContact CD2-CB 4.36Å; F56-L58 HydrophobicContact CE2-CB 4.13Å; F56-L58 HydrophobicContact CE2-CD1 4.27Å
57R87.4Confident80.7Confident132 Ų13269.8 Ų69.850%0.49837%0.373SS..EExtended strand (participates in β ladder)trans-96.3120.3175.9-175.4172.662.2151.9-7.2109.2E7 I9 V59E7-R57 WeakPolarHBondContact OE1-CD 3.49Å; E7-R57 IonicContact OE1-CZ 3.01Å; E7-R57 IonicContact OE1-NE 2.76Å; E7-R57 IonicContact OE1-NH1 3.7Å; E7-R57 PolarHBondContact OE1-NH1 2.76Å; I9-R57 HydrophobicContact CG1-CB 4.46Å; I9-R57 HydrophobicContact CG1-CG 4.38Å; R57-V59 HydrophobicContact CG-CG2 4.34Å
58L84.9Confident79.5Confident28 Ų2868.7 Ų68.715%0.14738%0.375CS..EExtended strand (participates in β ladder)trans-103.3130.1176.9-176.9148.3000109.7F6 E7 D8 F10 L39 L41 F56 I60F6-L58 HydrophobicContact CD1-CD2 4.06Å; F6-L58 HydrophobicContact CE1-CD2 4.42Å; E7-L58 WeakPolarHBondContact CA-O 3.27Å; D8-L58 PolarHBondContact N-O 2.83Å; D8-L58 PolarHBondContact O-N 3.44Å; F10-L58 HydrophobicContact CD2-CB 3.74Å; F10-L58 HydrophobicContact CE2-CB 3.83Å; F10-L58 HydrophobicContact CE2-CD2 4.25Å; F10-L58 HydrophobicContact CE2-CG 4.43Å; L39-L58 HydrophobicContact CD2-CD1 3.7Å; L41-L58 HydrophobicContact CD2-CD1 4.42Å; F56-L58 HydrophobicContact CD2-CB 4.36Å; F56-L58 HydrophobicContact CE2-CB 4.13Å; F56-L58 HydrophobicContact CE2-CD1 4.27Å; L58-I60 HydrophobicContact CD2-CD1 4.06Å; L58-I60 HydrophobicContact CD2-CG1 3.57Å
59V85.6Confident78.7Confident34 Ų3468.8 Ų68.821%0.20638%0.382CS..EExtended strand (participates in β ladder)trans-125.6123.9176-176.20000109.1I4 F6 E7 R57 F88I4-V59 HydrophobicContact CG2-CG1 4.05Å; F6-V59 CarbonylContact O-C 3.52Å; F6-V59 WeakPolarHBondContact O-CA 3.37Å; E7-V59 HydrophobicContact CB-CG2 4.14Å; E7-V59 HydrophobicContact CG-CG2 3.87Å; R57-V59 HydrophobicContact CG-CG2 4.34Å; V59-F88 HydrophobicContact CB-CE1 4.03Å; V59-F88 HydrophobicContact CB-CZ 3.84Å; V59-F88 HydrophobicContact CG1-CZ 4.35Å; V59-F88 HydrophobicContact CG2-CE1 3.62Å; V59-F88 HydrophobicContact CG2-CZ 3.63Å
60I84.6Confident77.5Confident70 Ų7071.4 Ų71.436%0.35939%0.39SS..EExtended strand (participates in β ladder)trans-102.4119.2170.8-50.6179.6000107.4L5 F6 L58L5-I60 HydrophobicContact CB-CG2 4.43Å; L5-I60 HydrophobicContact CD1-CG2 4.48Å; L5-I60 PolarHBondContact N-O 2.85Å; F6-I60 HydrophobicContact CB-CB 3.95Å; F6-I60 HydrophobicContact CB-CD1 4.13Å; F6-I60 HydrophobicContact CB-CG1 4.11Å; F6-I60 HydrophobicContact CD1-CD1 4.21Å; F6-I60 HydrophobicContact CD1-CG1 4.35Å; F6-I60 HydrophobicContact CG-CD1 4.5Å; F6-I60 PolarHBondContact N-O 3.26Å; F6-I60 PolarHBondContact O-N 2.87Å; L58-I60 HydrophobicContact CD2-CD1 4.06Å; L58-I60 HydrophobicContact CD2-CG1 3.57Å
61A82.3Confident76.4Confident41 Ų4173.5 Ų73.534%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-118.4146.9174.700000110.6G3 T63G3-A61 CarbonylContact O-C 3.49Å; G3-A61 WeakPolarHBondContact O-CA 3.12Å; G3-A61 WeakPolarHBondContact O-CB 3.48Å; A61-T63 VanDerWaalsContact C-N 3.32Å; A61-T63 WeakPolarHBondContact CB-O 3.12Å
62S78.9Confident75.2Confident76 Ų7676 Ų7653%0.53141%0.414SS..SBendtrans-79.8-17.3174.660.80000112.9G3G3-S62 PolarHBondContact O-N 2.92Å; G3-S62 PolarHBondContact O-OG 2.85Å
63T75.4Confident73.8Confident9 Ų973.6 Ų73.66%0.05542%0.417CS..  trans-145.1146-179.3176.60000109.7A61 Y65 T69A61-T63 VanDerWaalsContact C-N 3.32Å; A61-T63 WeakPolarHBondContact CB-O 3.12Å; T63-Y65 PolarHBondContact OG1-N 3.49Å; T63-T69 PolarHBondContact OG1-O 2.9Å
64L72.9Confident72.6Confident43 Ų4379 Ų7923%0.22543%0.43CS..SBendtrans-82.4-22.7176.8-163.569.9000112.3Y75 R84 A85L64-Y75 HydrophobicContact CD2-CE2 3.81Å; L64-R84 WeakPolarHBondContact O-CB 3.44Å; L64-R84 WeakPolarHBondContact O-CG 3.14Å; L64-R84 PolarHBondContact O-N 3.2Å; L64-A85 HydrophobicContact CD1-CB 3.8Å; L64-A85 HydrophobicContact CD2-CB 4.36Å; L64-A85 HydrophobicContact CG-CB 4.44Å
65Y70.8Confident71.3Confident41 Ų4180.8 Ų80.816%0.16143%0.433CS..SBendtrans-84.3135-178.5-58.9-71.4000110.4T63 D67 G68 T69T63-Y65 PolarHBondContact OG1-N 3.49Å; Y65-D67 PolarHBondContact O-N 2.95Å; Y65-G68 PolarHBondContact O-N 2.96Å; Y65-T69 WeakPolarHBondContact CD2-OG1 3.2Å
66E66.1Low70Confident117 Ų11779 Ų7955%0.54743%0.429SS..THydrogen-bonded Turntrans-65.5-22.3175-67.5-175.789.600112.6G68 R84E66-G68 VanDerWaalsContact C-N 3.28Å; E66-G68 PolarHBondContact O-N 2.93Å; E66-R84 HydrophobicContact CG-CG 3.52Å
67D61.1Low68.9Low140 Ų14080.4 Ų80.475%0.74944%0.441SS*.THydrogen-bonded Turntrans-79.8-5.6-178.5-159.342.3000113.7Y65 T69Y65-D67 PolarHBondContact O-N 2.95Å; D67-T69 VanDerWaalsContact C-N 3.26Å; D67-T69 PolarHBondContact O-N 2.73Å
68G57.7Low67.7Low33 Ų3379.5 Ų79.534%0.3445%0.451SS..  trans79.14.6176.500000114.8Y65 E66 L70Y65-G68 PolarHBondContact O-N 2.96Å; E66-G68 VanDerWaalsContact C-N 3.28Å; E66-G68 PolarHBondContact O-N 2.93Å; G68-L70 PolarHBondContact O-N 2.98Å
69T61.6Low66.6Low67 Ų6781.1 Ų81.141%0.41146%0.46SS..PPolyproline II helixtrans-61.5132.3175.152.40000110.2T63 Y65 D67T63-T69 PolarHBondContact OG1-O 2.9Å; Y65-T69 WeakPolarHBondContact CD2-OG1 3.2Å; D67-T69 VanDerWaalsContact C-N 3.26Å; D67-T69 PolarHBondContact O-N 2.73Å
70L55.8Low65.4Low154 Ų15487.4 Ų87.481%0.80649%0.492SS*.PPolyproline II helixtrans-67.1136.4174.3-65.9171000108.6G68 D72G68-L70 PolarHBondContact O-N 2.98Å; L70-D72 PolarHBondContact O-N 3.35Å
71D60.5Low64.6Low62 Ų6291 Ų9133%0.33250%0.501SS..PPolyproline II helixtrans-69.7127.4-179.7-169.472.1000110G73D71-G73 PolarHBondContact O-N 2.76Å; D71-G73 VanDerWaalsContact O-N 3.16Å; D71-G73 PolarHBondContact OD2-N 2.82Å
72D57.9Low63.7Low163 Ų16394.1 Ų94.187%0.87252%0.518SS*.  trans-75.74.6-177.2-134.6-101.4000112.3L70 E74L70-D72 PolarHBondContact O-N 3.35Å; D72-E74 PolarHBondContact O-N 3.44Å
73G57.8Low63.4Low64 Ų6491.7 Ų91.766%0.6650%0.501SS*.SBendtrans79.3-0.1-176.700000114.1D71D71-G73 PolarHBondContact O-N 2.76Å; D71-G73 VanDerWaalsContact O-N 3.16Å; D71-G73 PolarHBondContact OD2-N 2.82Å
74E60.3Low63.2Low161 Ų16192.8 Ų92.875%0.75250%0.504SS*.  trans-108.994.7176.2-16589.8-146.800108.9D72 N76D72-E74 PolarHBondContact O-N 3.44Å; E74-N76 PolarHBondContact O-N 2.67Å
75Y61.6Low63.3Low104 Ų10491.7 Ų91.741%0.40850%0.501SS..  trans-81.7109.1173.2-177.9-102.6000109.5L64 P77 W154L64-Y75 HydrophobicContact CD2-CE2 3.81Å; Y75-P77 HydrophobicContact CE1-CB 4.24Å; Y75-P77 VanDerWaalsContact O-CD 3.27Å; Y75-P77 WeakPolarHBondContact O-CD 3.49Å; Y75-W154 AromaticContact CD1-CH2 3.45Å; Y75-W154 HydrophobicContact CD1-CH2 3.45Å; Y75-W154 VanDerWaalsContact CD1-CH2 3.45Å; Y75-W154 AromaticContact CD1-CZ2 3.8Å; Y75-W154 HydrophobicContact CD1-CZ2 3.8Å; Y75-W154 HydrophobicContact CD1-CZ3 4.21Å; Y75-W154 AromaticContact CE1-CH2 3.31Å; Y75-W154 HydrophobicContact CE1-CH2 3.31Å; Y75-W154 HydrophobicContact CE1-CZ2 4.07Å; Y75-W154 AromaticContact CE1-CZ3 3.61Å; Y75-W154 HydrophobicContact CE1-CZ3 3.61Å
76N61Low63.5Low83 Ų8396.5 Ų96.544%0.44453%0.529SS..  trans-95.3105.6176.5-166.9-9.2000110.2E74 T78 D79E74-N76 PolarHBondContact O-N 2.67Å; N76-T78 PolarHBondContact O-N 3.38Å; N76-T78 VanDerWaalsContact O-N 3.12Å; N76-T78 PolarHBondContact OD1-N 3.33Å; N76-T78 PolarHBondContact OD1-OG1 3.12Å; N76-D79 HydrophobicContact CB-CB 4.24Å; N76-D79 WeakPolarHBondContact O-CB 3.45Å; N76-D79 PolarHBondContact O-N 3.3Å; N76-D79 VanDerWaalsContact O-N 3.1Å
77P62.3Low64.2Low66 Ų6697.2 Ų97.243%0.42953%0.533SS..THydrogen-bonded Turntrans-65.9-14.2-178.822.9-31000114.3Y75 W154Y75-P77 HydrophobicContact CE1-CB 4.24Å; Y75-P77 VanDerWaalsContact O-CD 3.27Å; Y75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-W154 HydrophobicContact CB-CH2 3.72Å; P77-W154 HydrophobicContact CB-CZ3 3.99Å; P77-W154 HydrophobicContact CG-CH2 3.94Å
78T61.9Low65.2Low113 Ų11393 Ų9369%0.69351%0.508SS*.THydrogen-bonded Turntrans-88.5-8179.4-15.80000112.3N76 D80N76-T78 PolarHBondContact O-N 3.38Å; N76-T78 VanDerWaalsContact O-N 3.12Å; N76-T78 PolarHBondContact OD1-N 3.33Å; N76-T78 PolarHBondContact OD1-OG1 3.12Å; T78-D80 PolarHBondContact O-N 2.9Å
79D63Low66.4Low62 Ų6299.4 Ų99.433%0.33253%0.529SS..  trans-80.1101.8179-148.4-29.2000108.4N76 R81N76-D79 HydrophobicContact CB-CB 4.24Å; N76-D79 WeakPolarHBondContact O-CB 3.45Å; N76-D79 PolarHBondContact O-N 3.3Å; N76-D79 VanDerWaalsContact O-N 3.1Å; D79-R81 PolarHBondContact O-N 3.18Å; D79-R81 WeakPolarHBondContact OD1-CD 3.13Å; D79-R81 VanDerWaalsContact OD1-CG 3.25Å; D79-R81 WeakPolarHBondContact OD1-CG 3.44Å; D79-R81 IonicContact OD1-CZ 3.75Å; D79-R81 IonicContact OD1-NE 2.73Å; D79-R81 PolarHBondContact OD1-NE 2.87Å; D79-R81 IonicContact OD1-NH2 3.79Å; D79-R81 IonicContact OD2-CZ 3.17Å; D79-R81 IonicContact OD2-NE 2.96Å; D79-R81 PolarHBondContact OD2-NE 2.87Å; D79-R81 IonicContact OD2-NH2 2.79Å; D79-R81 PolarHBondContact OD2-NH2 3.05Å
80D60.1Low67.4Low166 Ų16699.5 Ų99.589%0.88852%0.522SS*.  trans-70.331.7177.2-97.9-54.6000112.8T78T78-D80 PolarHBondContact O-N 2.9Å
81R66.6Low68.7Low146 Ų14696 Ų9655%0.55151%0.507SS*.  trans-71.7136.4174.9-77.8173.9-147.4-169.514.5109.4D79 S83D79-R81 PolarHBondContact O-N 3.18Å; D79-R81 WeakPolarHBondContact OD1-CD 3.13Å; D79-R81 VanDerWaalsContact OD1-CG 3.25Å; D79-R81 WeakPolarHBondContact OD1-CG 3.44Å; D79-R81 IonicContact OD1-CZ 3.75Å; D79-R81 IonicContact OD1-NE 2.73Å; D79-R81 PolarHBondContact OD1-NE 2.87Å; D79-R81 IonicContact OD1-NH2 3.79Å; D79-R81 IonicContact OD2-CZ 3.17Å; D79-R81 IonicContact OD2-NE 2.96Å; D79-R81 PolarHBondContact OD2-NE 2.87Å; D79-R81 IonicContact OD2-NH2 2.79Å; D79-R81 PolarHBondContact OD2-NH2 3.05Å; R81-S83 PolarHBondContact O-N 3.02Å
82P65.1Low69.8Low107 Ų10797.9 Ų97.970%0.69552%0.515SS*.  trans-57.6115.8169.925.2-32.1000107.7
83S71.1Confident70.8Confident24 Ų2499 Ų9917%0.16851%0.509CS..  trans-122.1152.5-176.274.20000108.7R81 A85 D86R81-S83 PolarHBondContact O-N 3.02Å; S83-A85 PolarHBondContact O-N 3.22Å; S83-A85 VanDerWaalsContact O-N 3.16Å; S83-D86 PolarHBondContact O-N 3.45Å
84R71.9Confident71.8Confident33 Ų3398.8 Ų98.813%0.12551%0.506CS..G310 helixtrans-64.3-22.4-179.8-65.3-179.264.6167.31.2112.5A2 L64 E66 D86 Q87 F88A2-R84 PolarHBondContact O-NH1 2.94Å; L64-R84 WeakPolarHBondContact O-CB 3.44Å; L64-R84 WeakPolarHBondContact O-CG 3.14Å; L64-R84 PolarHBondContact O-N 3.2Å; E66-R84 HydrophobicContact CG-CG 3.52Å; R84-D86 PolarHBondContact O-N 3.29Å; R84-Q87 PolarHBondContact O-N 3.34Å; R84-F88 WeakPolarHBondContact O-CD2 3.43Å; R84-F88 WeakPolarHBondContact O-CE2 3.35Å
85A74.4Confident72.7Confident19 Ų1999.1 Ų99.116%0.15751%0.505CS..G310 helixtrans-59.1-30.2176.100000113.3L64 S83 Q87 F88 V91L64-A85 HydrophobicContact CD1-CB 3.8Å; L64-A85 HydrophobicContact CD2-CB 4.36Å; L64-A85 HydrophobicContact CG-CB 4.44Å; S83-A85 PolarHBondContact O-N 3.22Å; S83-A85 VanDerWaalsContact O-N 3.16Å; A85-Q87 PolarHBondContact O-N 3.35Å; A85-F88 PolarHBondContact O-N 3.24Å; A85-V91 HydrophobicContact CB-CG2 3.85Å
86D76.1Confident73.4Confident142 Ų14299.6 Ų99.676%0.75952%0.519SS*.G310 helixtrans-64.3-24.6-175.1-164.6-109.1000112.9S83 R84 F88S83-D86 PolarHBondContact O-N 3.45Å; R84-D86 PolarHBondContact O-N 3.29Å; D86-F88 VanDerWaalsContact C-N 3.34Å
87Q80.7Confident74.2Confident132 Ų132106.5 Ų106.562%0.61754%0.54SS*.G310 helixtrans-86.1-3.7178.8-60.817327.900113.4R84 A85R84-Q87 PolarHBondContact O-N 3.34Å; A85-Q87 PolarHBondContact O-N 3.35Å
88F81.6Confident74.8Confident52 Ų52110.3 Ų110.323%0.22855%0.546CS..  trans-122.1137.6-177.5-61.7-82000110.9V59 R84 A85 D86 Y90 V91V59-F88 HydrophobicContact CB-CE1 4.03Å; V59-F88 HydrophobicContact CB-CZ 3.84Å; V59-F88 HydrophobicContact CG1-CZ 4.35Å; V59-F88 HydrophobicContact CG2-CE1 3.62Å; V59-F88 HydrophobicContact CG2-CZ 3.63Å; R84-F88 WeakPolarHBondContact O-CD2 3.43Å; R84-F88 WeakPolarHBondContact O-CE2 3.35Å; A85-F88 PolarHBondContact O-N 3.24Å; D86-F88 VanDerWaalsContact C-N 3.34Å; F88-Y90 VanDerWaalsContact C-N 3.3Å; F88-Y90 PolarHBondContact O-N 2.93Å; F88-V91 HydrophobicContact CB-CG2 4.1Å
89E82.9Confident75.6Confident167 Ų167111.2 Ų111.278%0.7855%0.545SS*.SBendtrans-74.7-24.9-179.7-62.6179.8174.300112.4Y48Y48-E89 HydrophobicContact CE2-CB 4.01Å; Y48-E89 WeakPolarHBondContact CE2-OE2 3.33Å
90Y82.5Confident76Confident69 Ų69114 Ų11427%0.27156%0.556SS.*  trans-137.8124.6-177.1-168.1-106.9000111I47 Y48 F88 M92I47-Y90 HydrophobicContact CD1-CE2 3.7Å; I47-Y90 HydrophobicContact CG1-CE2 4.09Å; Y48-Y90 HydrophobicContact CG-CD2 4.37Å; Y48-Y90 HydrophobicContact CG-CG 4.48Å; F88-Y90 VanDerWaalsContact C-N 3.3Å; F88-Y90 PolarHBondContact O-N 2.93Å; Y90-M92 HydrophobicContact CD1-CE 4.18Å; Y90-M92 HydrophobicContact CD1-CG 4.19Å; Y90-M92 HydrophobicContact CD1-SD 4.46Å; Y90-M92 HydrophobicContact CE1-CE 3.53Å; Y90-M92 HydrophobicContact CE1-CG 3.45Å; Y90-M92 VanDerWaalsContact CE1-CG 3.45Å; Y90-M92 HydrophobicContact CE1-SD 3.39Å; Y90-M92 WeakPolarHBondContact CE1-SD 3.47Å; Y90-M92 PolarHBondContact OH-SD 3.4Å
91V83.5Confident75.4Confident80 Ų80108.8 Ų108.849%0.48554%0.542SS..  trans-129.8132.4-177.9-178.60000109.3A85 F88A85-V91 HydrophobicContact CB-CG2 3.85Å; F88-V91 HydrophobicContact CB-CG2 4.1Å
92M82.8Confident74.4Confident102 Ų102107.5 Ų107.550%0.50255%0.546SS..  trans-126.6144.1174.6-68.5-176.7-6900110L41 Y90L41-M92 HydrophobicContact CD1-CE 3.93Å; L41-M92 HydrophobicContact CD2-CE 4.1Å; L41-M92 HydrophobicContact CG-CE 4.34Å; Y90-M92 HydrophobicContact CD1-CE 4.18Å; Y90-M92 HydrophobicContact CD1-CG 4.19Å; Y90-M92 HydrophobicContact CD1-SD 4.46Å; Y90-M92 HydrophobicContact CE1-CE 3.53Å; Y90-M92 HydrophobicContact CE1-CG 3.45Å; Y90-M92 VanDerWaalsContact CE1-CG 3.45Å; Y90-M92 HydrophobicContact CE1-SD 3.39Å; Y90-M92 WeakPolarHBondContact CE1-SD 3.47Å; Y90-M92 PolarHBondContact OH-SD 3.4Å
93Y80.3Confident73.3Confident188 Ų188110.9 Ų110.974%0.73755%0.552SS**  trans-111131.9169.9178.4-95.5000109.4
94G78.5Confident71.9Confident59 Ų59115.2 Ų115.261%0.60858%0.578SS**  trans-152.2160-178.700000111.9
95K77.8Confident70.5Confident168 Ų168117.2 Ų117.273%0.7360%0.597SS**  trans-110.6139.4174.3-65.9-177.8-179.9179.30109.4Y97K95-Y97 PolarHBondContact O-N 3.21Å
96V78.3Confident69.1Low114 Ų114121.7 Ų121.769%0.69162%0.622SS**  trans-72.6118.3174.3-177.60000108.5I99V96-I99 HydrophobicContact CG1-CD1 4.34Å; V96-I99 HydrophobicContact CG1-CG1 3.82Å
97Y75.8Confident67.4Low227 Ų227124 Ų12489%0.8963%0.629SS**  trans-91-43-176.6-179.6-103.2000113.1K95K95-Y97 PolarHBondContact O-N 3.21Å
98R76.8Confident65.4Low147 Ų147121 Ų12156%0.55563%0.627SS**  trans-145.9134.4-176-170.5174.5-179.9-169-8.7109.6E100 Q120R98-E100 HydrophobicContact CG-CG 4.15Å; R98-E100 IonicContact CZ-OE1 2.91Å; R98-E100 IonicContact NE-OE1 2.86Å; R98-E100 PolarHBondContact NE-OE1 2.87Å; R98-E100 IonicContact NH1-OE1 3.02Å; R98-E100 PolarHBondContact NH1-OE1 3.1Å; R98-E100 IonicContact NH2-OE1 3.95Å; R98-E100 PolarHBondContact NH2-OE1 3.18Å; R98-Q120 VanDerWaalsContact NH1-OE1 3.15Å
99I77.2Confident63.3Low131 Ų131119.8 Ų119.867%0.67263%0.626SS**  trans-110.6111.9172-56.2172.5000105.6V96V96-I99 HydrophobicContact CG1-CD1 4.34Å; V96-I99 HydrophobicContact CG1-CG1 3.82Å
100E72.7Confident61Low120 Ų120115.6 Ų115.656%0.56161%0.612SS**  trans-96.8120.3168.5-63.5-169.1136.900107.4R98R98-E100 HydrophobicContact CG-CG 4.15Å; R98-E100 IonicContact CZ-OE1 2.91Å; R98-E100 IonicContact NE-OE1 2.86Å; R98-E100 PolarHBondContact NE-OE1 2.87Å; R98-E100 IonicContact NH1-OE1 3.02Å; R98-E100 PolarHBondContact NH1-OE1 3.1Å; R98-E100 IonicContact NH2-OE1 3.95Å; R98-E100 PolarHBondContact NH2-OE1 3.18Å
101G47.3Very low58.9Low58 Ų58119.8 Ų119.860%0.59863%0.628SS**  trans-98.6111.4176.500000109.5
102D44.9Very low56.9Low119 Ų119116.5 Ų116.564%0.63661%0.607SS**  trans-81115.9166.2-143.7-86.1000107.6T104D102-T104 PolarHBondContact O-N 3.31Å; D102-T104 PolarHBondContact OD1-OG1 3.16Å
103E43.1Very low54.6Low178 Ų178116.1 Ų116.183%0.83261%0.607SS**THydrogen-bonded Turntrans-68.59.3-168.657-168.4102.300115.2
104T41.5Very low52.4Low114 Ų114114.2 Ų114.270%0.69960%0.598SS**THydrogen-bonded Turntrans-99.8-1.5-173.2-32.80000114.4D102D102-T104 PolarHBondContact O-N 3.31Å; D102-T104 PolarHBondContact OD1-OG1 3.16Å
105S41.4Very low50.7Low76 Ų76118.5 Ų118.553%0.53160%0.596SS.*SBendtrans-153.664.7172-82.20000111.3E107S105-E107 PolarHBondContact O-N 3.03Å
106T45.5Very low48.7Very low112 Ų112117.8 Ų117.869%0.68759%0.589SS**THydrogen-bonded Turntrans-60.396.8165.2380000109.8
107E40.6Very low46.7Very low190 Ų190115.5 Ų115.589%0.88858%0.582SS**THydrogen-bonded Turn161.4-22.5124.4-87.2-178.783.100112S105S105-E107 PolarHBondContact O-N 3.03Å
108A38.9Very low44.7Very low70 Ų70106.9 Ų106.958%0.57956%0.558SS**THydrogen-bonded Turntrans-109.9-30.8176.200000113.9
109A37.2Very low42.9Very low27 Ų27107.9 Ų107.922%0.22357%0.569CS.*G310 helixtrans-80.8-18.6-172.800000114.4R111 L112 L113A109-R111 PolarHBondContact O-N 3.41Å; A109-R111 VanDerWaalsContact O-N 3.09Å; A109-L112 PolarHBondContact O-N 3.37Å; A109-L113 WeakPolarHBondContact O-CG 3.45Å
110T34.3Very low40.5Very low79 Ų79109.2 Ų109.249%0.48557%0.572SS.*G310 helixtrans-66.8-10.3179.7-38.70000113.5
111R38.5Very low38.5Very low157 Ų157107.8 Ų107.859%0.59257%0.574SS**G310 helixtrans-89.6-6-176.7-105.6174.8147.5133.3-5.4115.1L5 A109L5-R111 PolarHBondContact O-NE 2.8Å; L5-R111 PolarHBondContact O-NH2 2.91Å; A109-R111 PolarHBondContact O-N 3.41Å; A109-R111 VanDerWaalsContact O-N 3.09Å
112L41.1Very low37.9Very low11 Ų11110.6 Ų110.66%0.05859%0.585CS.*SBendtrans-140.710.9-157.1-99.1167.8000114.6F6 F10 F35 M37 A109 R114F6-L112 HydrophobicContact CD1-CD2 4.45Å; F6-L112 HydrophobicContact CD2-CG 4.36Å; F6-L112 HydrophobicContact CE1-CD1 4.44Å; F6-L112 HydrophobicContact CE1-CD2 3.53Å; F6-L112 HydrophobicContact CE1-CG 4.09Å; F6-L112 HydrophobicContact CE2-CD1 3.4Å; F6-L112 HydrophobicContact CE2-CD2 3.95Å; F6-L112 HydrophobicContact CE2-CG 3.55Å; F6-L112 HydrophobicContact CZ-CD1 3.36Å; F6-L112 HydrophobicContact CZ-CD2 3.26Å; F6-L112 HydrophobicContact CZ-CG 3.42Å; F6-L112 VanDerWaalsContact CZ-CG 3.42Å; F10-L112 HydrophobicContact CE1-CD2 4.17Å; F10-L112 HydrophobicContact CZ-CD2 3.58Å; F35-L112 HydrophobicContact CB-CD1 4.38Å; M37-L112 HydrophobicContact CB-CB 3.77Å; M37-L112 HydrophobicContact CB-CD1 3.79Å; M37-L112 HydrophobicContact CB-CD2 4.11Å; M37-L112 HydrophobicContact CB-CG 4.11Å; M37-L112 HydrophobicContact CE-CB 4.27Å; M37-L112 HydrophobicContact CE-CD1 3.34Å; M37-L112 HydrophobicContact CE-CG 4.42Å; M37-L112 HydrophobicContact CG-CB 3.96Å; M37-L112 HydrophobicContact CG-CD1 3.54Å; M37-L112 HydrophobicContact CG-CG 4.28Å; M37-L112 HydrophobicContact SD-CB 3.12Å; M37-L112 WeakPolarHBondContact SD-CB 3.12Å; M37-L112 HydrophobicContact SD-CD1 3.14Å; M37-L112 WeakPolarHBondContact SD-CD1 3.45Å; M37-L112 HydrophobicContact SD-CG 3.74Å; A109-L112 PolarHBondContact O-N 3.37Å; L112-R114 PolarHBondContact O-N 3.39Å
113L35.1Very low37.3Very low93 Ų93116.3 Ų116.349%0.48760%0.597SS.*  trans-87.3106.3-174.1-65.1171.3000112.1A109A109-L113 WeakPolarHBondContact O-CG 3.45Å
114R35.1Very low36.6Very low148 Ų148116 Ų11656%0.55860%0.6SS**  trans54.286.7134-67.4-178.8167.3176.8-2.8116.4D38 L112 R116D38-R114 HydrophobicContact CB-CG 4.16Å; D38-R114 WeakPolarHBondContact O-CG 3.36Å; D38-R114 PolarHBondContact O-N 3.22Å; D38-R114 IonicContact OD2-CZ 3.38Å; D38-R114 IonicContact OD2-NE 3.78Å; D38-R114 PolarHBondContact OD2-NE 3.35Å; D38-R114 IonicContact OD2-NH2 3.33Å; D38-R114 PolarHBondContact OD2-NH2 2.86Å; L112-R114 PolarHBondContact O-N 3.39Å; R114-R116 PolarHBondContact O-N 3.07Å
115W41.2Very low36Very low149 Ų149119.7 Ų119.756%0.56461%0.612SS**  trans-68.158159.9-74.296.6000112.5I40 A117I40-W115 VanDerWaalsContact CB-O 3.28Å; I40-W115 WeakPolarHBondContact CB-O 3.25Å; I40-W115 VanDerWaalsContact CG2-O 3.26Å; I40-W115 WeakPolarHBondContact CG2-O 3.42Å; I40-W115 CarbonylContact O-C 3.37Å; I40-W115 WeakPolarHBondContact O-CB 3.28Å; W115-A117 PolarHBondContact O-N 3.26Å
116R35.7Very low36Very low153 Ų153118.8 Ų118.858%0.57762%0.615SS**  trans-85.796.9167.7-134.7176.2-153.5-170.65.9108.7I40 R114 A118I40-R116 HydrophobicContact CD1-CB 3.86Å; I40-R116 HydrophobicContact CD1-CG 3.55Å; I40-R116 HydrophobicContact CG2-CG 4.33Å; R114-R116 PolarHBondContact O-N 3.07Å; R116-A118 PolarHBondContact O-N 2.78Å
117A36.6Very low35.4Very low66 Ų66125.8 Ų125.855%0.54563%0.629SS.*  trans-70.680.616000000109.1R27 W115R27-A117 VanDerWaalsContact CZ-O 3.23Å; R27-A117 PolarHBondContact NH1-O 2.8Å; R27-A117 VanDerWaalsContact NH2-CB 3.35Å; R27-A117 PolarHBondContact NH2-O 3.06Å; W115-A117 PolarHBondContact O-N 3.26Å
118A35.2Very low35.4Very low46 Ų46120.2 Ų120.238%0.3862%0.622SS.*  trans159.1124.6167.900000106.3R116R116-A118 PolarHBondContact O-N 2.78Å
119E38.4Very low35.3Very low169 Ų169125.5 Ų125.579%0.7964%0.64SS**  cis-165.813121.1-94.8151.9158.100107
120Q27.3Very low35.3Very low159 Ų159131.5 Ų131.574%0.74367%0.667SS**  trans-122.869.1145.6-95.8179.70.300107.7R98R98-Q120 VanDerWaalsContact NH1-OE1 3.15Å
121C29.6Very low35.1Very low89 Ų89134.1 Ų134.160%0.60167%0.672SS**  trans-128.160.9154.2-150.80000108F131C121-F131 WeakPolarHBondContact SG-CZ 3.32Å
122S35.9Very low35.1Very low118 Ų118135.3 Ų135.383%0.82569%0.685SS**  trans-143.171166.3-159.40000110.2
123R31Very low34.8Very low238 Ų238141.7 Ų141.790%0.89872%0.718SS**  trans-151.682.8143.1-143.2174.4-169-154.22.7109.1
124L28.5Very low34.6Very low171 Ų171141.8 Ų141.890%0.89573%0.725SS**  trans-170.295.4137.9-97147.7000107.8
125M29.9Very low34.5Very low192 Ų192142 Ų14295%0.94674%0.737SS**  trans-61.4132.5160.5-78.6-103.8-80.900108.9
126G40.8Very low34Very low58 Ų58140.2 Ų140.260%0.59875%0.746SS**  trans122.4118.616000000113.1
127W33.1Very low33.8Very low259 Ų259139.2 Ų139.298%0.98176%0.756SS**SBendtrans89.986163.8-5476.5000116
128G39.5Very low33.4Very low72 Ų72143.3 Ų143.374%0.74277%0.769SS**SBend6988.7129.600000117.8
129L38.1Very low33.1Very low181 Ų181151.1 Ų151.195%0.94879%0.788SS**  trans66.659.1153.2-68153.6000115.2
130L36.6Very low32.7Very low153 Ų153145.1 Ų145.180%0.80177%0.771SS**  trans3.4116.5144.7-122.379.7000117.6
131F30.8Very low33.3Very low134 Ų134143.8 Ų143.859%0.58878%0.776SS**  70.268.9126.4-88.7-112.8000117.1C121 L133C121-F131 WeakPolarHBondContact SG-CZ 3.32Å; F131-L133 HydrophobicContact CD1-CB 4.2Å; F131-L133 HydrophobicContact CE1-CD1 4.39Å; F131-L133 PolarHBondContact O-N 3.16Å
132Q38.1Very low33.4Very low183 Ų183144.8 Ų144.886%0.85579%0.791SS**  trans-6367.2140-166.776.99.400110.3
133L34.8Very low33.2Very low144 Ų144146.8 Ų146.875%0.75479%0.787SS**  trans-127.758152.8-102149.5000106.1F131 L135F131-L133 HydrophobicContact CD1-CB 4.2Å; F131-L133 HydrophobicContact CE1-CD1 4.39Å; F131-L133 PolarHBondContact O-N 3.16Å; L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.09Å
134C31.3Very low33.6Very low95 Ų95143.7 Ų143.764%0.64278%0.783SS**  trans-5698157.5-166.40000105.9C136C134-C136 VanDerWaalsContact C-N 3.34Å; C134-C136 PolarHBondContact O-N 2.95Å
135L31.8Very low33.6Very low153 Ų153140.5 Ų140.580%0.80178%0.781SS**  trans-47.8108.7154.9-165.974.7000105.1L133 V137L133-L135 VanDerWaalsContact C-N 3.26Å; L133-L135 PolarHBondContact O-N 3.09Å; L135-V137 VanDerWaalsContact C-N 3.25Å; L135-V137 PolarHBondContact O-N 3.02Å
136C30.7Very low33.9Very low112 Ų112136.7 Ų136.776%0.75778%0.78SS**  trans-53.892.6176.6-86.40000109C134 L138C134-C136 VanDerWaalsContact C-N 3.34Å; C134-C136 PolarHBondContact O-N 2.95Å; C136-L138 PolarHBondContact O-N 2.86Å
137V32.4Very low33.4Very low131 Ų131137.6 Ų137.679%0.79479%0.79SS**  trans-69.779147.4179.70000105L135 W139L135-V137 VanDerWaalsContact C-N 3.25Å; L135-V137 PolarHBondContact O-N 3.02Å; V137-W139 VanDerWaalsContact C-N 3.28Å; V137-W139 PolarHBondContact O-N 2.79Å
138L28.2Very low33.5Very low153 Ų153129 Ų12980%0.80178%0.782SS**  trans-84.883164.2-160.582.4000106.9C136C136-L138 PolarHBondContact O-N 2.86Å
139W28.8Very low32.9Very low210 Ų210131.5 Ų131.580%0.79579%0.786SS**  trans-115.783145.3-141.9-0.5000107.5V137V137-W139 VanDerWaalsContact C-N 3.28Å; V137-W139 PolarHBondContact O-N 2.79Å
140G28.9Very low32.6Very low42 Ų42131.8 Ų131.843%0.43378%0.783SS.*  trans-114.8156.6163.200000108.9A142G140-A142 PolarHBondContact O-N 3.33Å
141P39.6Very low32.3Very low131 Ų131132.3 Ų132.385%0.85178%0.781SS**  trans-68.3129.7-157.129.2-34.3000112H143P141-H143 PolarHBondContact O-N 2.97Å
142A31.8Very low32.4Very low110 Ų110131 Ų13191%0.90979%0.786SS**  trans-74.390172.600000109.6G140G140-A142 PolarHBondContact O-N 3.33Å
143H32Very low32Very low160 Ų160126.4 Ų126.474%0.74178%0.78SS**  trans-100.1111154.6-168.5-81.1000108.3P141P141-H143 PolarHBondContact O-N 2.97Å
144E40.7Very low32.1Very low173 Ų173126.7 Ų126.781%0.80877%0.771SS**  trans25.3105.9162.8-82.8161.361.500119.5
145A27.9Very low32.1Very low104 Ų104127.1 Ų127.186%0.8677%0.766SS**  trans-149.1132.5136.900000108.9
146A35.6Very low32.1Very low112 Ų112130.5 Ų130.593%0.92677%0.768SS**  trans-69.7150.7-166.200000114.9
147G31.5Very low31.8Very low77 Ų77127.7 Ų127.779%0.79476%0.758SS**  trans129.1110164.200000112.3
148G33.6Very low31.5Very low79 Ų79125.1 Ų125.181%0.81476%0.758SS**  trans-52134.2-167.600000116.1
149C28.4Very low31.5Very low125 Ų125127.2 Ų127.285%0.84576%0.761SS**  trans-160.2100.6152.6-137.20000107Q151C149-Q151 PolarHBondContact O-N 3.27Å
150Q30.3Very low31.5Very low186 Ų186125.6 Ų125.687%0.86976%0.762SS**  trans-64.9127.3-178.3-120.794.1-13.400110
151Q30.3Very low31.7Very low164 Ų164128.7 Ų128.777%0.76678%0.777SS**  trans-67.4142.9174.7-61.4175.1-32.400111.1C149 A153C149-Q151 PolarHBondContact O-N 3.27Å; Q151-A153 PolarHBondContact O-N 3.24Å
152P32.6Very low31.2Very low106 Ų106128.5 Ų128.569%0.68877%0.768SS**  trans-91.396.1163.911.15.8000110
153A31Very low31.3Very low88 Ų88125.9 Ų125.973%0.72774%0.743SS**  trans-84.7111.7163.200000108.3Q151Q151-A153 PolarHBondContact O-N 3.24Å
154W36.2Very low31.9Very low150 Ų150124 Ų12457%0.56875%0.745SS**  trans-115.591.2175.5-63.5101.9000109.7Y75 P77Y75-W154 AromaticContact CD1-CH2 3.45Å; Y75-W154 HydrophobicContact CD1-CH2 3.45Å; Y75-W154 VanDerWaalsContact CD1-CH2 3.45Å; Y75-W154 AromaticContact CD1-CZ2 3.8Å; Y75-W154 HydrophobicContact CD1-CZ2 3.8Å; Y75-W154 HydrophobicContact CD1-CZ3 4.21Å; Y75-W154 AromaticContact CE1-CH2 3.31Å; Y75-W154 HydrophobicContact CE1-CH2 3.31Å; Y75-W154 HydrophobicContact CE1-CZ2 4.07Å; Y75-W154 AromaticContact CE1-CZ3 3.61Å; Y75-W154 HydrophobicContact CE1-CZ3 3.61Å; P77-W154 HydrophobicContact CB-CH2 3.72Å; P77-W154 HydrophobicContact CB-CZ3 3.99Å; P77-W154 HydrophobicContact CG-CH2 3.94Å
155I31.6Very low32Very low103 Ų103122.5 Ų122.553%0.52874%0.743SS.*  trans-136.6102.1165-54.4-176.9000105.4I47 G157I47-I155 HydrophobicContact CB-CG2 4.37Å; I47-I155 HydrophobicContact CG2-CB 4.19Å; I47-I155 HydrophobicContact CG2-CD1 3.72Å; I47-I155 HydrophobicContact CG2-CG1 3.79Å; I47-I155 HydrophobicContact CG2-CG2 3.49Å; I47-I155 VanDerWaalsContact CG2-CG2 3.49Å; I155-G157 VanDerWaalsContact CG2-N 3.3Å; I155-G157 PolarHBondContact O-N 3.36Å
156R31.4Very low32.7Very low224 Ų224123.2 Ų123.285%0.84573%0.729SS**  trans-85.865.8153.9-83.5-164.7-159.8-161.65.4107.7G158R156-G158 PolarHBondContact O-N 3.5Å
157G25Very low33.1Very low53 Ų53124.5 Ų124.555%0.54672%0.716SS.*  trans-78.3106.8149.100000104.4I155 F159I155-G157 VanDerWaalsContact CG2-N 3.3Å; I155-G157 PolarHBondContact O-N 3.36Å; G157-F159 VanDerWaalsContact C-N 3.28Å; G157-F159 PolarHBondContact O-N 2.81Å
158G27.1Very low33.6Very low78 Ų78124 Ų12480%0.80470%0.704SS**  trans-55.898.1167.900000108.5R156 Q160R156-G158 PolarHBondContact O-N 3.5Å; G158-Q160 VanDerWaalsContact C-N 3.35Å; G158-Q160 PolarHBondContact O-N 3.47Å
159F26.2Very low34Very low196 Ų196124.4 Ų124.486%0.8669%0.694SS**  trans-60.3110.2145.3-164.3-98.7000104.3G157 S161G157-F159 VanDerWaalsContact C-N 3.28Å; G157-F159 PolarHBondContact O-N 2.81Å; F159-S161 VanDerWaalsContact C-N 3.31Å; F159-S161 PolarHBondContact O-N 2.9Å
160Q29.7Very low34.8Very low176 Ų176125.1 Ų125.182%0.82269%0.689SS**  trans-59.397.6178.9-152.5157.718.400107G158 L162G158-Q160 VanDerWaalsContact C-N 3.35Å; G158-Q160 PolarHBondContact O-N 3.47Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 2.75Å
161S32.3Very low35.4Very low108 Ų108123.2 Ų123.276%0.75568%0.684SS**  trans-71.896.3169.754.20000106.3F159 S163F159-S161 VanDerWaalsContact C-N 3.31Å; F159-S161 PolarHBondContact O-N 2.9Å; S161-S163 PolarHBondContact O-N 3Å
162L30.6Very low36.2Very low126 Ų126122.1 Ų122.166%0.6668%0.683SS**  trans-50.3133.7163.9-87.6134.5000108.9Q160Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 2.75Å
163S33.1Very low36.9Very low55 Ų55124.8 Ų124.839%0.38569%0.691SS.*  trans-63.6140.5176.845.40000110.4S161 D165 E166S161-S163 PolarHBondContact O-N 3Å; S163-D165 PolarHBondContact O-N 3.43Å; S163-E166 PolarHBondContact O-N 3.35Å
164P44.2Very low37.5Very low120 Ų120125.3 Ų125.378%0.77970%0.696SS**THydrogen-bonded Turntrans-62.6-4.9178.2-22.832.6000115.9
165D42.6Very low37.8Very low142 Ų142125.2 Ų125.276%0.75974%0.741SS**THydrogen-bonded Turntrans-95-14.1179.5-80.9-75.2000113.9S163S163-D165 PolarHBondContact O-N 3.43Å
166E44Very low38.1Very low120 Ų120126.3 Ų126.356%0.56175%0.751SS**THydrogen-bonded Turntrans-85.9-20.4177.5-94.9-175.887.500114S163 A168S163-E166 PolarHBondContact O-N 3.35Å; E166-A168 VanDerWaalsContact C-N 3.31Å; E166-A168 PolarHBondContact O-N 3.43Å
167E43.5Very low38.5Very low139 Ų139121.2 Ų121.265%0.6575%0.746SS**Hα-helixtrans-70.4-22.9179.6-73.8-106.9102.300113.4
168A41.6Very low39.2Very low67 Ų67124.9 Ų124.955%0.55476%0.757SS**Hα-helixtrans-80.2-18.8-177.400000114E166E166-A168 VanDerWaalsContact C-N 3.31Å; E166-A168 PolarHBondContact O-N 3.43Å
169S43.1Very low39.9Very low87 Ų87127.7 Ų127.761%0.60876%0.755SS**Hα-helixtrans-88.2-21.5-177.1-61.40000113.2
170L44.6Very low40.8Very low140 Ų140123.4 Ų123.473%0.73375%0.748SS**Hα-helixtrans-88.8-15-177.7-72.7170000114
171L43.6Very low41.5Very low146 Ų146119.9 Ų119.976%0.76474%0.743SS**THydrogen-bonded Turntrans-85.8-5.4178-81.1165000114.8
172N46.3Very low42.2Very low141 Ų141120.8 Ų120.875%0.75474%0.742SS**THydrogen-bonded Turntrans-1099.5-179.7-77.5-67.2000114.9
173L47.7Very low43.1Very low161 Ų161120.4 Ų120.484%0.84375%0.749SS**SBendtrans-113.713.4177.9-107130.2000114.3
174A43Very low43.9Very low100 Ų100125.8 Ų125.883%0.82678%0.779SS**  trans-121.748.6169.600000111.4
175G42.9Very low43.9Very low147 Ų147126.4 Ų126.4100%1.51578%0.779SS**  trans-126.10166.500000110.2

Retrieved 175 of 175 residues in 187.8 ms (Link to these results)

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