A0A087WR82_MOUSE Loading...

RNA binding motif protein Y-linked family member 1

AlphaFold DB , UniProt , Accession A0A087WR82, Species MOUSE (Mus musculus, Mouse), Gene Rbmyf1, Length 380 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
1M39.3Very low72.6Confident236 Ų23683.5 Ų83.5100%1.16345%0.452SS*.  0150.60-76.9-61.3176.800109.3E3M1-E3 PolarHBondContact O-N 2.65Å
2A57.1Low74.4Confident87 Ų8776.5 Ų76.572%0.71941%0.414SS*.  trans-84.1102.9173.600000109.7
3E53.7Low75.9Confident172 Ų17271.2 Ų71.280%0.80439%0.388SS*.  trans-62.7140.8178.4-69164.6101.600111.4M1M1-E3 PolarHBondContact O-N 2.65Å
4T63.1Low77.2Confident63 Ų6368.8 Ų68.839%0.38739%0.388SS..  trans-131.290.4-176.345.30000108.6Q6 Q83T4-Q6 PolarHBondContact O-N 2.77Å; T4-Q83 HydrophobicContact CG2-CB 4.02Å; T4-Q83 HydrophobicContact CG2-CG 3.62Å
5D67.7Low78.2Confident77 Ų7764.8 Ų64.841%0.41237%0.366SS..SBendtrans-45.8-26.7-171-67.7-82.1000115.3R86D5-R86 HydrophobicContact CB-CB 4.25Å; D5-R86 HydrophobicContact CB-CG 4.27Å; D5-R86 IonicContact OD1-CZ 3.14Å; D5-R86 IonicContact OD1-NE 2.83Å; D5-R86 PolarHBondContact OD1-NE 2.96Å; D5-R86 IonicContact OD1-NH2 2.77Å; D5-R86 PolarHBondContact OD1-NH2 3.11Å; D5-R86 WeakPolarHBondContact OD2-CG 3.23Å; D5-R86 IonicContact OD2-CZ 3.9Å; D5-R86 IonicContact OD2-NE 3.02Å; D5-R86 PolarHBondContact OD2-NE 2.79Å; D5-R86 IonicContact OD2-NH2 3.83Å
6Q73.6Confident79.1Confident110 Ų11062.6 Ų62.651%0.51435%0.353SS..  trans-129.295.6175-147.883.876.600111.9T4 G8 K9 Q83T4-Q6 PolarHBondContact O-N 2.77Å; Q6-G8 VanDerWaalsContact C-N 3.34Å; Q6-G8 PolarHBondContact O-N 3.45Å; Q6-K9 HydrophobicContact CB-CB 3.91Å; Q6-K9 HydrophobicContact CB-CD 4.47Å; Q6-K9 HydrophobicContact CG-CB 3.89Å; Q6-K9 HydrophobicContact CG-CD 4.44Å; Q6-K9 PolarHBondContact O-N 2.89Å; Q6-Q83 PolarHBondContact O-NE2 2.84Å
7P77.1Confident79.8Confident58 Ų5864.2 Ų64.238%0.37736%0.359SS..THydrogen-bonded Turntrans-60.6-35.7-177.515.9-28.3000114.2K9 L59 Q83P7-K9 VanDerWaalsContact C-N 3.31Å; P7-K9 PolarHBondContact O-N 3.39Å; P7-L59 HydrophobicContact CB-CD1 3.48Å; P7-L59 VanDerWaalsContact CB-CD1 3.48Å; P7-L59 HydrophobicContact CB-CD2 3.98Å; P7-L59 HydrophobicContact CB-CG 4.21Å; P7-L59 VanDerWaalsContact O-CD1 3.28Å; P7-L59 WeakPolarHBondContact O-CD1 3.28Å; P7-Q83 VanDerWaalsContact C-NE2 3.29Å; P7-Q83 PolarHBondContact O-NE2 2.55Å
8G86.7Confident80.3Confident16 Ų1670.6 Ų70.617%0.16538%0.382CS..THydrogen-bonded Turntrans-78.2-4179.900000115.8Q6 T55 F56Q6-G8 VanDerWaalsContact C-N 3.34Å; Q6-G8 PolarHBondContact O-N 3.45Å; G8-T55 CarbonylContact O-C 3.59Å; G8-T55 WeakPolarHBondContact O-CA 3.36Å; G8-F56 PolarHBondContact O-N 2.83Å
9K93Very high80.8Confident37 Ų3766.9 Ų66.916%0.16136%0.363CS..EExtended strand (participates in β ladder)trans-115.6127-166.4-167.6-174.1178.8-174.50112.6Q6 P7 L54 Q83 A84Q6-K9 HydrophobicContact CB-CB 3.91Å; Q6-K9 HydrophobicContact CB-CD 4.47Å; Q6-K9 HydrophobicContact CG-CB 3.89Å; Q6-K9 HydrophobicContact CG-CD 4.44Å; Q6-K9 PolarHBondContact O-N 2.89Å; P7-K9 VanDerWaalsContact C-N 3.31Å; P7-K9 PolarHBondContact O-N 3.39Å; K9-L54 CarbonylContact C-O 3.6Å; K9-L54 WeakPolarHBondContact CA-O 3.45Å; K9-Q83 PolarHBondContact O-NE2 3.1Å; K9-A84 HydrophobicContact CB-CB 4.04Å; K9-A84 HydrophobicContact CD-CB 3.88Å; K9-A84 HydrophobicContact CG-CB 3.68Å; K9-A84 VanDerWaalsContact O-CB 3.23Å; K9-A84 WeakPolarHBondContact O-CB 3.36Å; K9-A84 PolarHBondContact O-N 2.92Å
10I93.7Very high81.2Confident0 Ų072.3 Ų72.30%038%0.377CS..EExtended strand (participates in β ladder)trans-108.7153.4175.467.3160.5000111.5I12 F28 F53 L54 F56 A62 V66 V81 K82I10-I12 HydrophobicContact CD1-CD1 3.92Å; I10-I12 HydrophobicContact CD1-CG1 3.83Å; I10-I12 HydrophobicContact CG1-CD1 4.46Å; I10-I12 HydrophobicContact CG1-CG1 4.32Å; I10-F28 HydrophobicContact CD1-CD1 3.72Å; I10-F28 HydrophobicContact CD1-CE1 3.6Å; I10-F28 HydrophobicContact CD1-CZ 4.42Å; I10-F53 WeakPolarHBondContact O-CA 3.49Å; I10-L54 HydrophobicContact CD1-CB 4.25Å; I10-L54 HydrophobicContact CD1-CD2 4.22Å; I10-L54 HydrophobicContact CG1-CB 3.83Å; I10-L54 HydrophobicContact CG1-CD2 4.12Å; I10-L54 WeakPolarHBondContact CG1-O 3.41Å; I10-L54 PolarHBondContact N-O 2.99Å; I10-L54 PolarHBondContact O-N 3.46Å; I10-F56 HydrophobicContact CD1-CE2 3.86Å; I10-F56 HydrophobicContact CG1-CE2 4.2Å; I10-F56 HydrophobicContact CG2-CD2 4.5Å; I10-F56 HydrophobicContact CG2-CE2 4.4Å; I10-A62 HydrophobicContact CG2-CB 4.04Å; I10-V66 HydrophobicContact CB-CG2 4.24Å; I10-V66 HydrophobicContact CG2-CG2 3.54Å; I10-V81 HydrophobicContact CD1-CG1 3.91Å; I10-K82 CarbonylContact C-O 3.58Å; I10-K82 WeakPolarHBondContact CA-O 3.26Å
11F93.7Very high81.8Confident62 Ų6273 Ų7327%0.27238%0.379SS..EExtended strand (participates in β ladder)trans-108.2132169.8167.8-91000108.6F51 F53 V81 K82 A84F11-F51 HydrophobicContact CD2-CD2 4.41Å; F11-F51 HydrophobicContact CE2-CB 3.82Å; F11-F51 AromaticContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CE2 4.46Å; F11-F51 AromaticContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CZ-CB 3.97Å; F11-F51 HydrophobicContact CZ-CG 4.41Å; F11-F53 HydrophobicContact CB-CD1 4.24Å; F11-F53 HydrophobicContact CB-CE1 4.14Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.71Å; F11-F53 HydrophobicContact CD2-CE1 3.71Å; F11-F53 AromaticContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CG-CE1 4.41Å; F11-V81 WeakPolarHBondContact O-CA 3.36Å; F11-K82 PolarHBondContact N-O 2.9Å; F11-K82 PolarHBondContact O-N 2.81Å; F11-A84 HydrophobicContact CB-CB 4.33Å
12I94Very high84.3Confident0 Ų069.1 Ų69.10%036%0.355CS..EExtended strand (participates in β ladder)trans-122.7109.9179.1-53.3157.7000107I10 L15 F28 F51 A52 L54 I79 V81I10-I12 HydrophobicContact CD1-CD1 3.92Å; I10-I12 HydrophobicContact CD1-CG1 3.83Å; I10-I12 HydrophobicContact CG1-CD1 4.46Å; I10-I12 HydrophobicContact CG1-CG1 4.32Å; I12-L15 HydrophobicContact CG2-CD1 4.2Å; I12-L15 HydrophobicContact CG2-CD2 3.69Å; I12-L15 HydrophobicContact CG2-CG 4Å; I12-F28 HydrophobicContact CD1-CD2 3.97Å; I12-F28 HydrophobicContact CD1-CE1 4.11Å; I12-F28 HydrophobicContact CD1-CE2 3.52Å; I12-F28 HydrophobicContact CD1-CG 4.45Å; I12-F28 HydrophobicContact CD1-CZ 3.6Å; I12-F28 HydrophobicContact CG1-CE1 4.31Å; I12-F28 HydrophobicContact CG1-CE2 4.2Å; I12-F28 HydrophobicContact CG1-CZ 3.81Å; I12-F28 HydrophobicContact CG2-CE2 4.42Å; I12-F28 HydrophobicContact CG2-CZ 4.26Å; I12-F51 CarbonylContact O-C 3.5Å; I12-F51 WeakPolarHBondContact O-CA 3.23Å; I12-F51 WeakPolarHBondContact O-CB 3.44Å; I12-A52 PolarHBondContact N-O 3.36Å; I12-A52 PolarHBondContact O-N 2.85Å; I12-L54 HydrophobicContact CD1-CB 3.97Å; I12-L54 HydrophobicContact CD1-CD1 4.37Å; I12-I79 HydrophobicContact CG2-CB 4.5Å; I12-I79 HydrophobicContact CG2-CD1 4.26Å; I12-V81 HydrophobicContact CG1-CG1 4.44Å; I12-V81 HydrophobicContact CG2-CG2 4.38Å
13G94.5Very high86Confident7 Ų766.9 Ų66.97%0.07233%0.333CS..EExtended strand (participates in β ladder)trans-112.9162.917700000112.6G50 I79 K80G13-G50 CarbonylContact C-O 3.58Å; G13-I79 CarbonylContact O-C 3.54Å; G13-I79 WeakPolarHBondContact O-CA 3.49Å; G13-K80 PolarHBondContact N-O 3.15Å; G13-K80 PolarHBondContact O-N 2.85Å
14G93.1Very high87.9Confident38 Ų3858.7 Ų58.739%0.39230%0.295SS..SBendtrans83.711.9-178.400000114.3G50 K77G14-G50 PolarHBondContact N-O 2.89Å; G14-K77 WeakPolarHBondContact O-CB 3.5Å
15L93.4Very high89.4Confident9 Ų960.6 Ų60.65%0.04730%0.299CS..  trans-63.3151.4176.2-62.4177.9000111.3I12 T19 L24 G50 A52 L74 I79I12-L15 HydrophobicContact CG2-CD1 4.2Å; I12-L15 HydrophobicContact CG2-CD2 3.69Å; I12-L15 HydrophobicContact CG2-CG 4Å; L15-T19 HydrophobicContact CD2-CG2 4.5Å; L15-L24 HydrophobicContact CD1-CD1 3.9Å; L15-L24 HydrophobicContact CD1-CD2 3.99Å; L15-L24 HydrophobicContact CD2-CD2 3.77Å; L15-G50 PolarHBondContact N-O 3.07Å; L15-G50 WeakPolarHBondContact O-CA 3.46Å; L15-A52 HydrophobicContact CD1-CB 3.71Å; L15-L74 HydrophobicContact CD2-CD2 3.81Å; L15-I79 HydrophobicContact CD2-CG2 3.94Å
16N92.1Very high90.6Very high30 Ų3062.7 Ų62.716%0.1631%0.306CS..  trans-78.2158.3174-155.7-5000110.9K18 T19 D75 K77N16-K18 PolarHBondContact O-N 2.99Å; N16-T19 WeakPolarHBondContact CB-OG1 3.43Å; N16-T19 PolarHBondContact N-OG1 3.46Å; N16-T19 VanDerWaalsContact N-OG1 3.15Å; N16-T19 WeakPolarHBondContact O-CB 3.28Å; N16-T19 PolarHBondContact O-N 3.29Å; N16-T19 PolarHBondContact O-OG1 2.91Å; N16-T19 VanDerWaalsContact O-OG1 3.1Å; N16-D75 HydrophobicContact CB-CB 3.53Å; N16-D75 PolarHBondContact ND2-O 3.11Å; N16-K77 HydrophobicContact CB-CD 3.97Å; N16-K77 PolarHBondContact OD1-NZ 2.74Å
17I90.3Very high91.5Very high90 Ų9059.3 Ų59.346%0.46229%0.291SS..THydrogen-bonded Turntrans-66.5-33.3-177.4-56.4174.5000110.1K47 S48I17-K47 HydrophobicContact CG2-CB 3.98Å; I17-K47 HydrophobicContact CG2-CG 4.28Å; I17-S48 WeakPolarHBondContact O-CB 3.44Å; I17-S48 PolarHBondContact O-OG 3.05Å
18K89.1Confident92.3Very high178 Ų17856.5 Ų56.577%0.77427%0.274SS*.THydrogen-bonded Turntrans-68.9-27.5176.4-62.7-174.7178.1-176.30113.7N16 R20N16-K18 PolarHBondContact O-N 2.99Å; K18-R20 PolarHBondContact O-N 2.98Å
19T89.2Confident92.6Very high2 Ų257.4 Ų57.41%0.01228%0.283CS..  trans-59.2134.4-174.9-42.30000111.1L15 N16 T23 L24 L39 L74 D75L15-T19 HydrophobicContact CD2-CG2 4.5Å; N16-T19 WeakPolarHBondContact CB-OG1 3.43Å; N16-T19 PolarHBondContact N-OG1 3.46Å; N16-T19 VanDerWaalsContact N-OG1 3.15Å; N16-T19 WeakPolarHBondContact O-CB 3.28Å; N16-T19 PolarHBondContact O-N 3.29Å; N16-T19 PolarHBondContact O-OG1 2.91Å; N16-T19 VanDerWaalsContact O-OG1 3.1Å; T19-T23 HydrophobicContact CG2-CG2 4.47Å; T19-L24 HydrophobicContact CG2-CD2 4.24Å; T19-L24 HydrophobicContact CG2-CG 4.44Å; T19-L39 WeakPolarHBondContact O-CD1 3.37Å; T19-L74 HydrophobicContact CG2-CD2 3.79Å; T19-D75 WeakPolarHBondContact CB-OD2 3.5Å; T19-D75 PolarHBondContact OG1-OD2 2.9Å
20R90.7Very high92.5Very high174 Ų17466.1 Ų66.166%0.65732%0.315SS*.  trans-111.7163.7-178.2-64.1-174.1178.1-169.5-0.2111.9K18 K22 T23 L24K18-R20 PolarHBondContact O-N 2.98Å; R20-K22 VanDerWaalsContact C-N 3.26Å; R20-K22 PolarHBondContact O-N 3.28Å; R20-T23 WeakPolarHBondContact O-CB 3.28Å; R20-T23 PolarHBondContact O-N 3.25Å; R20-L24 PolarHBondContact O-N 2.89Å
21Q92.4Very high92.5Very high88 Ų8867.4 Ų67.441%0.41132%0.32SS..Hα-helixtrans-56.4-38.3175.9168.1166.8-15.700113L24 Q25 V37Q21-L24 PolarHBondContact O-N 3.08Å; Q21-Q25 PolarHBondContact O-N 3.34Å; Q21-V37 HydrophobicContact CB-CG1 4.49Å; Q21-V37 HydrophobicContact CG-CB 3.87Å; Q21-V37 HydrophobicContact CG-CG1 3.9Å
22K92.9Very high92.4Very high153 Ų15365.2 Ų65.267%0.66532%0.315SS*.Hα-helixtrans-57-53.4176.8-69.5-164.4174-1680111.5R20 L24 Q25 E26R20-K22 VanDerWaalsContact C-N 3.26Å; R20-K22 PolarHBondContact O-N 3.28Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 3.07Å; K22-Q25 CarbonylContact O-C 3.57Å; K22-Q25 WeakPolarHBondContact O-CA 3.48Å; K22-Q25 WeakPolarHBondContact O-CB 3.38Å; K22-Q25 PolarHBondContact O-N 3.27Å; K22-E26 VanDerWaalsContact C-CD 3.5Å; K22-E26 VanDerWaalsContact C-OE1 3.29Å; K22-E26 WeakPolarHBondContact CB-OE1 3.32Å; K22-E26 VanDerWaalsContact O-CD 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.42Å; K22-E26 PolarHBondContact O-N 3.29Å
23T92.6Very high92.4Very high41 Ų4168.2 Ų68.225%0.25234%0.335SS..Hα-helixtrans-53.7-41.1175.6-390000113.1T19 R20 E26 I27T19-T23 HydrophobicContact CG2-CG2 4.47Å; R20-T23 WeakPolarHBondContact O-CB 3.28Å; R20-T23 PolarHBondContact O-N 3.25Å; T23-E26 WeakPolarHBondContact CA-OE2 3.25Å; T23-I27 HydrophobicContact CG2-CD1 4.02Å; T23-I27 WeakPolarHBondContact O-CB 3.36Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.13Å; T23-I27 VanDerWaalsContact O-N 3.09Å
24L93.1Very high92.4Very high0 Ų069.3 Ų69.30%034%0.34CS..Hα-helixtrans-67.2-40174.9-63.2176.7000112.1L15 T19 R20 Q21 K22 F28 V37 L39 A52 L74L15-L24 HydrophobicContact CD1-CD1 3.9Å; L15-L24 HydrophobicContact CD1-CD2 3.99Å; L15-L24 HydrophobicContact CD2-CD2 3.77Å; T19-L24 HydrophobicContact CG2-CD2 4.24Å; T19-L24 HydrophobicContact CG2-CG 4.44Å; R20-L24 PolarHBondContact O-N 2.89Å; Q21-L24 PolarHBondContact O-N 3.08Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 3.07Å; L24-F28 HydrophobicContact CD2-CE2 4.3Å; L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.46Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.5Å; L24-V37 HydrophobicContact CB-CG1 4.27Å; L24-V37 HydrophobicContact CD1-CG1 4.11Å; L24-L39 HydrophobicContact CD1-CD1 4.23Å; L24-A52 HydrophobicContact CD1-CB 3.6Å; L24-L74 HydrophobicContact CD2-CD2 4.42Å
25Q93.9Very high92.4Very high103 Ų10370.3 Ų70.348%0.48134%0.344SS..Hα-helixtrans-68.3-38.4178.2-175173.7-14.400112.1Q21 K22 G29 V37Q21-Q25 PolarHBondContact O-N 3.34Å; K22-Q25 CarbonylContact O-C 3.57Å; K22-Q25 WeakPolarHBondContact O-CA 3.48Å; K22-Q25 WeakPolarHBondContact O-CB 3.38Å; K22-Q25 PolarHBondContact O-N 3.27Å; Q25-G29 VanDerWaalsContact O-CA 3.28Å; Q25-G29 WeakPolarHBondContact O-CA 3.29Å; Q25-G29 PolarHBondContact O-N 2.76Å; Q25-V37 HydrophobicContact CB-CG2 4.34Å
26E93.4Very high92.4Very high120 Ų12077.6 Ų77.656%0.56137%0.371SS*.Hα-helixtrans-65.4-44.1176-70.2146.5-152.800112.1K22 T23K22-E26 VanDerWaalsContact C-CD 3.5Å; K22-E26 VanDerWaalsContact C-OE1 3.29Å; K22-E26 WeakPolarHBondContact CB-OE1 3.32Å; K22-E26 VanDerWaalsContact O-CD 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.42Å; K22-E26 PolarHBondContact O-N 3.29Å; T23-E26 WeakPolarHBondContact CA-OE2 3.25Å
27I92.7Very high92.5Very high39 Ų3976.7 Ų76.720%0.237%0.367CS..Hα-helixtrans-75.2-52-178.4-67.9172.4000111.1T23 G29 R30 M69 L74T23-I27 HydrophobicContact CG2-CD1 4.02Å; T23-I27 WeakPolarHBondContact O-CB 3.36Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.36Å; T23-I27 PolarHBondContact O-N 3.13Å; T23-I27 VanDerWaalsContact O-N 3.09Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 2.83Å; I27-R30 WeakPolarHBondContact O-CB 3.41Å; I27-R30 PolarHBondContact O-N 3.07Å; I27-M69 HydrophobicContact CG2-CE 3.45Å; I27-M69 VanDerWaalsContact CG2-CE 3.45Å; I27-M69 HydrophobicContact CG2-SD 4.13Å; I27-L74 HydrophobicContact CD1-CD1 3.39Å; I27-L74 HydrophobicContact CD1-CD2 4.48Å
28F93.3Very high92.6Very high0 Ų074.7 Ų74.70%036%0.357CS..Hα-helixtrans-75.3-19.8-178.2-74-90.8000112.8I10 I12 L24 R30 F31 L54 F56 A65 M69 I79 V81I10-F28 HydrophobicContact CD1-CD1 3.72Å; I10-F28 HydrophobicContact CD1-CE1 3.6Å; I10-F28 HydrophobicContact CD1-CZ 4.42Å; I12-F28 HydrophobicContact CD1-CD2 3.97Å; I12-F28 HydrophobicContact CD1-CE1 4.11Å; I12-F28 HydrophobicContact CD1-CE2 3.52Å; I12-F28 HydrophobicContact CD1-CG 4.45Å; I12-F28 HydrophobicContact CD1-CZ 3.6Å; I12-F28 HydrophobicContact CG1-CE1 4.31Å; I12-F28 HydrophobicContact CG1-CE2 4.2Å; I12-F28 HydrophobicContact CG1-CZ 3.81Å; I12-F28 HydrophobicContact CG2-CE2 4.42Å; I12-F28 HydrophobicContact CG2-CZ 4.26Å; L24-F28 HydrophobicContact CD2-CE2 4.3Å; L24-F28 VanDerWaalsContact O-CB 3.32Å; L24-F28 WeakPolarHBondContact O-CB 3.46Å; L24-F28 WeakPolarHBondContact O-CD2 3.46Å; L24-F28 PolarHBondContact O-N 3.5Å; F28-R30 PolarHBondContact O-N 3.26Å; F28-F31 PolarHBondContact O-N 2.93Å; F28-F31 VanDerWaalsContact O-N 3.15Å; F28-L54 HydrophobicContact CB-CD1 3.54Å; F28-L54 HydrophobicContact CD2-CD1 4.23Å; F28-L54 HydrophobicContact CG-CD1 3.87Å; F28-F56 HydrophobicContact CB-CZ 4.09Å; F28-F56 HydrophobicContact CD1-CZ 4.18Å; F28-F56 WeakPolarHBondContact O-CE1 3.44Å; F28-A65 HydrophobicContact CD1-CB 4.03Å; F28-A65 HydrophobicContact CE1-CB 4.31Å; F28-M69 HydrophobicContact CD1-CG 4.32Å; F28-M69 HydrophobicContact CE1-CB 3.81Å; F28-M69 HydrophobicContact CE1-CG 3.76Å; F28-M69 HydrophobicContact CZ-CB 3.96Å; F28-M69 HydrophobicContact CZ-CE 4.46Å; F28-M69 HydrophobicContact CZ-CG 4.1Å; F28-I79 HydrophobicContact CE2-CD1 4.48Å; F28-I79 HydrophobicContact CZ-CD1 4.14Å; F28-V81 HydrophobicContact CE1-CG1 4.28Å; F28-V81 HydrophobicContact CE1-CG2 4.32Å; F28-V81 HydrophobicContact CZ-CG2 4Å
29G92.6Very high92.8Very high35 Ų3567.3 Ų67.336%0.36133%0.325SS..G310 helixtrans-62.4-22.3173.300000114.3Q25 I27 F31 G32Q25-G29 VanDerWaalsContact O-CA 3.28Å; Q25-G29 WeakPolarHBondContact O-CA 3.29Å; Q25-G29 PolarHBondContact O-N 2.76Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 2.83Å; G29-F31 PolarHBondContact O-N 3.05Å; G29-G32 PolarHBondContact O-N 2.92Å
30R92.8Very high92.9Very high219 Ų21969.8 Ų69.883%0.82634%0.337SS*.G310 helixtrans-62-26.1173.5-61.5-178.8179.6-161.1-2.8113.2I27 F28I27-R30 WeakPolarHBondContact O-CB 3.41Å; I27-R30 PolarHBondContact O-N 3.07Å; F28-R30 PolarHBondContact O-N 3.26Å
31F92.3Very high93Very high27 Ų2767.8 Ų67.812%0.11833%0.33CS..G310 helixtrans-86-18180-64.2-85.4000113.6F28 G29 F56 D61 N64 A65 E68 M69F28-F31 PolarHBondContact O-N 2.93Å; F28-F31 VanDerWaalsContact O-N 3.15Å; G29-F31 PolarHBondContact O-N 3.05Å; F31-F56 HydrophobicContact CB-CE1 4.15Å; F31-F56 HydrophobicContact CB-CZ 4.21Å; F31-D61 WeakPolarHBondContact O-CB 3.44Å; F31-N64 HydrophobicContact CD1-CB 4.45Å; F31-A65 HydrophobicContact CB-CB 4.08Å; F31-A65 HydrophobicContact CD1-CB 4.06Å; F31-A65 HydrophobicContact CD2-CB 4.09Å; F31-A65 HydrophobicContact CG-CB 3.77Å; F31-E68 HydrophobicContact CE1-CB 3.67Å; F31-E68 VanDerWaalsContact CE1-CD 3.43Å; F31-E68 HydrophobicContact CE1-CG 4.06Å; F31-E68 WeakPolarHBondContact CE1-OE1 3.42Å; F31-E68 HydrophobicContact CZ-CB 3.95Å; F31-E68 HydrophobicContact CZ-CG 4.14Å; F31-E68 VanDerWaalsContact CZ-OE1 3.28Å; F31-E68 WeakPolarHBondContact CZ-OE1 3.37Å; F31-M69 HydrophobicContact CD2-CG 4.37Å; F31-M69 HydrophobicContact CE2-CG 3.41Å; F31-M69 VanDerWaalsContact CE2-CG 3.41Å; F31-M69 HydrophobicContact CE2-SD 3.64Å; F31-M69 HydrophobicContact CZ-CG 3.53Å; F31-M69 HydrophobicContact CZ-SD 3.74Å
32G92.3Very high93Very high16 Ų1666.1 Ų66.117%0.16532%0.324CS..SBendtrans146.3173.1-17700000113.7G29 V34 D61G29-G32 PolarHBondContact O-N 2.92Å; G32-V34 PolarHBondContact O-N 3.37Å; G32-V34 VanDerWaalsContact O-N 3.07Å; G32-D61 WeakPolarHBondContact CA-OD2 3.37Å
33P93.7Very high92.8Very high64 Ų6470 Ų7042%0.41633%0.334SS..  trans-62.2110.2-174.222.9-34.5000113.3R57 D61P33-R57 HydrophobicContact CB-CB 4.47Å; P33-R57 HydrophobicContact CB-CG 4.28Å; P33-R57 HydrophobicContact CG-CB 4.18Å; P33-R57 PolarHBondContact O-N 2.83Å; P33-D61 WeakPolarHBondContact CD-OD2 3.39Å
34V94.3Very high92.6Very high30 Ų3076.4 Ų76.418%0.18236%0.361CS..EExtended strand (participates in β ladder)trans-71.3123.9172-177.20000109.8G32 V37 L54 F56G32-V34 PolarHBondContact O-N 3.37Å; G32-V34 VanDerWaalsContact O-N 3.07Å; V34-V37 HydrophobicContact CG1-CG2 3.63Å; V34-L54 HydrophobicContact CG1-CD1 3.97Å; V34-L54 HydrophobicContact CG1-CD2 3.92Å; V34-L54 HydrophobicContact CG1-CG 3.74Å; V34-L54 HydrophobicContact CG2-CD1 4.23Å; V34-L54 HydrophobicContact CG2-CD2 4.19Å; V34-F56 HydrophobicContact CG2-CD1 4.3Å; V34-F56 HydrophobicContact CG2-CE1 4.05Å
35A93.2Very high92.4Very high58 Ų5880 Ų8048%0.47938%0.383SS..EExtended strand (participates in β ladder)trans-86.8-38.2178.100000112.7T55 R57A35-T55 WeakPolarHBondContact CA-O 3.36Å; A35-T55 HydrophobicContact CB-CG2 4.38Å; A35-T55 WeakPolarHBondContact CB-O 3.32Å; A35-T55 PolarHBondContact N-O 3.02Å; A35-R57 HydrophobicContact CB-CG 3.86Å
36R92.9Very high92Very high163 Ų16383 Ų8362%0.61540%0.395SS*.EExtended strand (participates in β ladder)trans-156.8139178-166.6175.4-177.8-171.33.1111.3I38 L54 T55R36-I38 HydrophobicContact CG-CD1 4.45Å; R36-I38 HydrophobicContact CG-CG1 3.99Å; R36-L54 CarbonylContact O-C 3.56Å; R36-L54 WeakPolarHBondContact O-CA 3.41Å; R36-T55 PolarHBondContact N-O 2.77Å; R36-T55 VanDerWaalsContact N-O 3.11Å; R36-T55 PolarHBondContact O-N 2.8Å
37V94.2Very high91.7Very high10 Ų1083.2 Ų83.26%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-113.2137.1167.1-173.10000108.4Q21 L24 Q25 V34 L54Q21-V37 HydrophobicContact CB-CG1 4.49Å; Q21-V37 HydrophobicContact CG-CB 3.87Å; Q21-V37 HydrophobicContact CG-CG1 3.9Å; L24-V37 HydrophobicContact CB-CG1 4.27Å; L24-V37 HydrophobicContact CD1-CG1 4.11Å; Q25-V37 HydrophobicContact CB-CG2 4.34Å; V34-V37 HydrophobicContact CG1-CG2 3.63Å; V37-L54 HydrophobicContact CG2-CD1 3.92Å; V37-L54 HydrophobicContact CG2-CG 4.15Å
38I92.6Very high91.5Very high49 Ų4982.1 Ų82.125%0.25139%0.389SS..EExtended strand (participates in β ladder)trans-134.194.6176.9-39178.9000108.4R36 M40 A52 F53R36-I38 HydrophobicContact CG-CD1 4.45Å; R36-I38 HydrophobicContact CG-CG1 3.99Å; I38-M40 HydrophobicContact CB-CE 4.38Å; I38-M40 HydrophobicContact CG2-CE 3.45Å; I38-M40 VanDerWaalsContact CG2-CE 3.45Å; I38-A52 WeakPolarHBondContact O-CA 3.4Å; I38-F53 PolarHBondContact N-O 3.5Å; I38-F53 PolarHBondContact O-N 2.69Å
39L93.3Very high91.4Very high22 Ų2289.5 Ų89.512%0.11542%0.417CS..EExtended strand (participates in β ladder)trans-80.7124.7177.1-171.4158.6000109.3T19 L24 R41 A52T19-L39 WeakPolarHBondContact O-CD1 3.37Å; L24-L39 HydrophobicContact CD1-CD1 4.23Å; L39-R41 HydrophobicContact CD2-CG 3.56Å; L39-R41 PolarHBondContact O-N 2.9Å; L39-A52 HydrophobicContact CB-CB 4.36Å; L39-A52 HydrophobicContact CG-CB 4.48Å
40M91.9Very high91.3Very high54 Ų5488.7 Ų88.727%0.26641%0.409SS..EExtended strand (participates in β ladder)trans-84.4112.6-175.1-65.6-83.5102.300109.7I38 R49 F51 F53I38-M40 HydrophobicContact CB-CE 4.38Å; I38-M40 HydrophobicContact CG2-CE 3.45Å; I38-M40 VanDerWaalsContact CG2-CE 3.45Å; M40-R49 WeakPolarHBondContact O-CB 3.34Å; M40-R49 PolarHBondContact O-N 3.44Å; M40-F51 HydrophobicContact CB-CD2 3.88Å; M40-F51 HydrophobicContact CB-CE1 4.39Å; M40-F51 HydrophobicContact CB-CE2 3.67Å; M40-F51 HydrophobicContact CB-CG 4.36Å; M40-F51 HydrophobicContact CB-CZ 3.93Å; M40-F51 WeakPolarHBondContact CB-O 3.41Å; M40-F51 HydrophobicContact CG-CD2 3.71Å; M40-F51 HydrophobicContact CG-CE2 3.44Å; M40-F51 VanDerWaalsContact CG-CE2 3.44Å; M40-F51 HydrophobicContact CG-CZ 4.13Å; M40-F51 PolarHBondContact N-O 2.73Å; M40-F51 HydrophobicContact SD-CE2 4.31Å; M40-F53 HydrophobicContact CG-CD2 4.12Å; M40-F53 HydrophobicContact CG-CE2 4.16Å; M40-F53 HydrophobicContact SD-CD2 4.39Å; M40-F53 HydrophobicContact SD-CE2 4.27Å
41R92.7Very high91.4Very high133 Ų13380.4 Ų80.450%0.50238%0.379SS..EExtended strand (participates in β ladder)trans-105.3152.9174.5-63.4-169171.8137.42.1110.9L39 K47L39-R41 HydrophobicContact CD2-CG 3.56Å; L39-R41 PolarHBondContact O-N 2.9Å; R41-K47 WeakPolarHBondContact CA-O 3.28Å
42D91.7Very high91.4Very high52 Ų5279.1 Ų79.128%0.27837%0.373SS..  trans-69.9147.6161.4174.731.9000109.5E44 T45 K46 K47 R49D42-E44 PolarHBondContact OD1-N 3.44Å; D42-T45 VanDerWaalsContact OD2-CB 3.26Å; D42-T45 WeakPolarHBondContact OD2-CB 3.42Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.48Å; D42-T45 PolarHBondContact OD2-N 3.21Å; D42-T45 PolarHBondContact OD2-OG1 3.06Å; D42-K46 WeakPolarHBondContact O-CA 3.48Å; D42-K47 PolarHBondContact N-O 3.41Å; D42-R49 HydrophobicContact CB-CG 4.34Å
43R88.7Confident91.5Very high236 Ų23680.1 Ų80.189%0.89137%0.373SS*.SBendtrans-83.1-36.4-179.4-67.9-176.3175.5-170.7-1.9111.7
44E89.9Confident91.6Very high174 Ų17477 Ų7781%0.81335%0.353SS*.SBendtrans-79.2-63.6-174.8-67.8165-154.300110.5D42 K46D42-E44 PolarHBondContact OD1-N 3.44Å; E44-K46 PolarHBondContact O-N 3.44Å
45T88.4Confident91.5Very high75 Ų7577.6 Ų77.646%0.4636%0.356SS..SBendtrans-76.4-8.5-178.167.90000113.8D42 K47D42-T45 VanDerWaalsContact OD2-CB 3.26Å; D42-T45 WeakPolarHBondContact OD2-CB 3.42Å; D42-T45 WeakPolarHBondContact OD2-CG2 3.48Å; D42-T45 PolarHBondContact OD2-N 3.21Å; D42-T45 PolarHBondContact OD2-OG1 3.06Å; T45-K47 PolarHBondContact O-N 3.15Å; T45-K47 WeakPolarHBondContact OG1-CB 3.48Å; T45-K47 PolarHBondContact OG1-N 3.25Å
46K84.6Confident91.6Very high167 Ų16775 Ų7573%0.72634%0.335SS*.  trans57.26-171.2-59.6173-176.6170.70114.7D42 E44D42-K46 WeakPolarHBondContact O-CA 3.48Å; E44-K46 PolarHBondContact O-N 3.44Å
47K87.2Confident91.6Very high124 Ų12476.7 Ų76.754%0.53934%0.341SS..  trans-75.9150.1-178.2-67.3167.6-171.2171.90111.4I17 R41 D42 T45I17-K47 HydrophobicContact CG2-CB 3.98Å; I17-K47 HydrophobicContact CG2-CG 4.28Å; R41-K47 WeakPolarHBondContact CA-O 3.28Å; D42-K47 PolarHBondContact N-O 3.41Å; T45-K47 PolarHBondContact O-N 3.15Å; T45-K47 WeakPolarHBondContact OG1-CB 3.48Å; T45-K47 PolarHBondContact OG1-N 3.25Å
48S89Confident91.5Very high16 Ų1684.2 Ų84.211%0.11237%0.368CS..EExtended strand (participates in β ladder)trans-68.5128.4174-50.20000110.6I17 G50I17-S48 WeakPolarHBondContact O-CB 3.44Å; I17-S48 PolarHBondContact O-OG 3.05Å; S48-G50 PolarHBondContact O-N 3.28Å
49R90.9Very high91.4Very high156 Ų15685.3 Ų85.359%0.58937%0.374SS*.EExtended strand (participates in β ladder)trans-7210.7-178.6-61.1-179.966.7-176.11.5114.2M40 D42 F51M40-R49 WeakPolarHBondContact O-CB 3.34Å; M40-R49 PolarHBondContact O-N 3.44Å; D42-R49 HydrophobicContact CB-CG 4.34Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.86Å; R49-F51 HydrophobicContact CB-CE1 3.6Å; R49-F51 HydrophobicContact CB-CZ 4.47Å; R49-F51 VanDerWaalsContact O-CD1 3.32Å; R49-F51 WeakPolarHBondContact O-CD1 3.47Å; R49-F51 PolarHBondContact O-N 3.23Å
50G91.6Very high91.4Very high17 Ų1787.4 Ų87.418%0.17540%0.395CS..EExtended strand (participates in β ladder)trans72.412.7-176.100000115.3G13 G14 L15 S48G13-G50 CarbonylContact C-O 3.58Å; G14-G50 PolarHBondContact N-O 2.89Å; L15-G50 PolarHBondContact N-O 3.07Å; L15-G50 WeakPolarHBondContact O-CA 3.46Å; S48-G50 PolarHBondContact O-N 3.28Å
51F93.5Very high91.4Very high45 Ų4585.6 Ų85.620%0.19739%0.386CS..EExtended strand (participates in β ladder)trans-144.8157.4173.767.5-84.7000114F11 I12 M40 R49 F53F11-F51 HydrophobicContact CD2-CD2 4.41Å; F11-F51 HydrophobicContact CE2-CB 3.82Å; F11-F51 AromaticContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CD2 3.65Å; F11-F51 HydrophobicContact CE2-CE2 4.46Å; F11-F51 AromaticContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CE2-CG 3.97Å; F11-F51 HydrophobicContact CZ-CB 3.97Å; F11-F51 HydrophobicContact CZ-CG 4.41Å; I12-F51 CarbonylContact O-C 3.5Å; I12-F51 WeakPolarHBondContact O-CA 3.23Å; I12-F51 WeakPolarHBondContact O-CB 3.44Å; M40-F51 HydrophobicContact CB-CD2 3.88Å; M40-F51 HydrophobicContact CB-CE1 4.39Å; M40-F51 HydrophobicContact CB-CE2 3.67Å; M40-F51 HydrophobicContact CB-CG 4.36Å; M40-F51 HydrophobicContact CB-CZ 3.93Å; M40-F51 WeakPolarHBondContact CB-O 3.41Å; M40-F51 HydrophobicContact CG-CD2 3.71Å; M40-F51 HydrophobicContact CG-CE2 3.44Å; M40-F51 VanDerWaalsContact CG-CE2 3.44Å; M40-F51 HydrophobicContact CG-CZ 4.13Å; M40-F51 PolarHBondContact N-O 2.73Å; M40-F51 HydrophobicContact SD-CE2 4.31Å; R49-F51 VanDerWaalsContact C-N 3.28Å; R49-F51 HydrophobicContact CB-CD1 3.86Å; R49-F51 HydrophobicContact CB-CE1 3.6Å; R49-F51 HydrophobicContact CB-CZ 4.47Å; R49-F51 VanDerWaalsContact O-CD1 3.32Å; R49-F51 WeakPolarHBondContact O-CD1 3.47Å; R49-F51 PolarHBondContact O-N 3.23Å; F51-F53 HydrophobicContact CD2-CE2 4.34Å; F51-F53 HydrophobicContact CE2-CE2 4.15Å
52A93.8Very high91.4Very high0 Ų079.3 Ų79.30%036%0.362CS..EExtended strand (participates in β ladder)trans-142.1158.3176.900000110.8I12 L15 L24 I38 L39I12-A52 PolarHBondContact N-O 3.36Å; I12-A52 PolarHBondContact O-N 2.85Å; L15-A52 HydrophobicContact CD1-CB 3.71Å; L24-A52 HydrophobicContact CD1-CB 3.6Å; I38-A52 WeakPolarHBondContact O-CA 3.4Å; L39-A52 HydrophobicContact CB-CB 4.36Å; L39-A52 HydrophobicContact CG-CB 4.48Å
53F94.2Very high91.4Very high37 Ų3782.4 Ų82.416%0.16237%0.373CS..EExtended strand (participates in β ladder)trans-109.4142.1164-64.7-81.9000109.3I10 F11 I38 M40 F51 A84I10-F53 WeakPolarHBondContact O-CA 3.49Å; F11-F53 HydrophobicContact CB-CD1 4.24Å; F11-F53 HydrophobicContact CB-CE1 4.14Å; F11-F53 HydrophobicContact CD2-CD1 4.25Å; F11-F53 AromaticContact CD2-CE1 3.71Å; F11-F53 HydrophobicContact CD2-CE1 3.71Å; F11-F53 AromaticContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CD2-CZ 3.98Å; F11-F53 HydrophobicContact CG-CE1 4.41Å; I38-F53 PolarHBondContact N-O 3.5Å; I38-F53 PolarHBondContact O-N 2.69Å; M40-F53 HydrophobicContact CG-CD2 4.12Å; M40-F53 HydrophobicContact CG-CE2 4.16Å; M40-F53 HydrophobicContact SD-CD2 4.39Å; M40-F53 HydrophobicContact SD-CE2 4.27Å; F51-F53 HydrophobicContact CD2-CE2 4.34Å; F51-F53 HydrophobicContact CE2-CE2 4.15Å; F53-A84 HydrophobicContact CD1-CB 3.99Å; F53-A84 HydrophobicContact CE1-CB 4.18Å
54L94.1Very high91.6Very high0 Ų074.9 Ų74.90%035%0.351CS..EExtended strand (participates in β ladder)trans-133.2132.8176-176.3154.1000108.8K9 I10 I12 F28 V34 R36 V37 F56K9-L54 CarbonylContact C-O 3.6Å; K9-L54 WeakPolarHBondContact CA-O 3.45Å; I10-L54 HydrophobicContact CD1-CB 4.25Å; I10-L54 HydrophobicContact CD1-CD2 4.22Å; I10-L54 HydrophobicContact CG1-CB 3.83Å; I10-L54 HydrophobicContact CG1-CD2 4.12Å; I10-L54 WeakPolarHBondContact CG1-O 3.41Å; I10-L54 PolarHBondContact N-O 2.99Å; I10-L54 PolarHBondContact O-N 3.46Å; I12-L54 HydrophobicContact CD1-CB 3.97Å; I12-L54 HydrophobicContact CD1-CD1 4.37Å; F28-L54 HydrophobicContact CB-CD1 3.54Å; F28-L54 HydrophobicContact CD2-CD1 4.23Å; F28-L54 HydrophobicContact CG-CD1 3.87Å; V34-L54 HydrophobicContact CG1-CD1 3.97Å; V34-L54 HydrophobicContact CG1-CD2 3.92Å; V34-L54 HydrophobicContact CG1-CG 3.74Å; V34-L54 HydrophobicContact CG2-CD1 4.23Å; V34-L54 HydrophobicContact CG2-CD2 4.19Å; R36-L54 CarbonylContact O-C 3.56Å; R36-L54 WeakPolarHBondContact O-CA 3.41Å; V37-L54 HydrophobicContact CG2-CD1 3.92Å; V37-L54 HydrophobicContact CG2-CG 4.15Å; L54-F56 HydrophobicContact CD2-CD1 4.25Å; L54-F56 HydrophobicContact CD2-CD2 3.52Å; L54-F56 HydrophobicContact CD2-CE1 4.1Å; L54-F56 HydrophobicContact CD2-CE2 3.37Å; L54-F56 HydrophobicContact CD2-CG 3.99Å; L54-F56 HydrophobicContact CD2-CZ 3.69Å
55T93.4Very high91.8Very high41 Ų4166.6 Ų66.625%0.25231%0.312SS..EExtended strand (participates in β ladder)trans-109.9122.4176.3-55.10000108.3G8 A35 R36G8-T55 CarbonylContact O-C 3.59Å; G8-T55 WeakPolarHBondContact O-CA 3.36Å; A35-T55 WeakPolarHBondContact CA-O 3.36Å; A35-T55 HydrophobicContact CB-CG2 4.38Å; A35-T55 WeakPolarHBondContact CB-O 3.32Å; A35-T55 PolarHBondContact N-O 3.02Å; R36-T55 PolarHBondContact N-O 2.77Å; R36-T55 VanDerWaalsContact N-O 3.11Å; R36-T55 PolarHBondContact O-N 2.8Å
56F94.7Very high92.1Very high5 Ų564.6 Ų64.62%0.02230%0.3CS..EExtended strand (participates in β ladder)trans-86.1158.6169.6-73.3-83.7000110.9G8 I10 F28 F31 V34 L54 R58 D61 A62 A65G8-F56 PolarHBondContact O-N 2.83Å; I10-F56 HydrophobicContact CD1-CE2 3.86Å; I10-F56 HydrophobicContact CG1-CE2 4.2Å; I10-F56 HydrophobicContact CG2-CD2 4.5Å; I10-F56 HydrophobicContact CG2-CE2 4.4Å; F28-F56 HydrophobicContact CB-CZ 4.09Å; F28-F56 HydrophobicContact CD1-CZ 4.18Å; F28-F56 WeakPolarHBondContact O-CE1 3.44Å; F31-F56 HydrophobicContact CB-CE1 4.15Å; F31-F56 HydrophobicContact CB-CZ 4.21Å; V34-F56 HydrophobicContact CG2-CD1 4.3Å; V34-F56 HydrophobicContact CG2-CE1 4.05Å; L54-F56 HydrophobicContact CD2-CD1 4.25Å; L54-F56 HydrophobicContact CD2-CD2 3.52Å; L54-F56 HydrophobicContact CD2-CE1 4.1Å; L54-F56 HydrophobicContact CD2-CE2 3.37Å; L54-F56 HydrophobicContact CD2-CG 3.99Å; L54-F56 HydrophobicContact CD2-CZ 3.69Å; F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 WeakPolarHBondContact CB-O 3.43Å; F56-D61 HydrophobicContact CB-CB 4.47Å; F56-D61 HydrophobicContact CD1-CB 3.95Å; F56-D61 HydrophobicContact CE1-CB 4.4Å; F56-D61 HydrophobicContact CG-CB 4.25Å; F56-A62 HydrophobicContact CB-CB 4.28Å; F56-A62 VanDerWaalsContact CD2-CA 3.47Å; F56-A62 HydrophobicContact CD2-CB 3.65Å; F56-A62 HydrophobicContact CE2-CB 4.37Å; F56-A62 HydrophobicContact CG-CB 4.29Å; F56-A65 HydrophobicContact CE2-CB 3.77Å; F56-A65 HydrophobicContact CZ-CB 3.67Å
57R92.8Very high92.4Very high198 Ų19864.8 Ų64.875%0.74730%0.301SS*.SBendtrans-70.7-23.7168.8-68.6-170.3178.2-176.7-3.5112.9P33 A35P33-R57 HydrophobicContact CB-CB 4.47Å; P33-R57 HydrophobicContact CB-CG 4.28Å; P33-R57 HydrophobicContact CG-CB 4.18Å; P33-R57 PolarHBondContact O-N 2.83Å; A35-R57 HydrophobicContact CB-CG 3.86Å
58R92.1Very high92.7Very high167 Ų16764.8 Ų64.863%0.6330%0.302SS*.  trans-125.2147.6-176.9-63.6174.7166.2-173.8-3.8112.2F56 D61 A62F56-R58 VanDerWaalsContact C-N 3.29Å; F56-R58 WeakPolarHBondContact CB-O 3.43Å; R58-D61 HydrophobicContact CB-CB 4.35Å; R58-D61 WeakPolarHBondContact CB-OD1 3.43Å; R58-D61 WeakPolarHBondContact CB-OD2 3.17Å; R58-D61 WeakPolarHBondContact CD-OD1 3.42Å; R58-A62 PolarHBondContact O-N 2.92Å
59L91.4Very high92.9Very high72 Ų7264.9 Ų64.938%0.37730%0.301SS..Hα-helixtrans-70.5-34.3175.1173.154.3000113.1P7 K63P7-L59 HydrophobicContact CB-CD1 3.48Å; P7-L59 VanDerWaalsContact CB-CD1 3.48Å; P7-L59 HydrophobicContact CB-CD2 3.98Å; P7-L59 HydrophobicContact CB-CG 4.21Å; P7-L59 VanDerWaalsContact O-CD1 3.28Å; P7-L59 WeakPolarHBondContact O-CD1 3.28Å; L59-K63 HydrophobicContact CD1-CD 3.99Å; L59-K63 HydrophobicContact CD1-CG 4.11Å; L59-K63 HydrophobicContact CG-CD 4.24Å; L59-K63 WeakPolarHBondContact O-CG 3.44Å; L59-K63 PolarHBondContact O-N 2.8Å; L59-K63 VanDerWaalsContact O-N 3.07Å
60A92.2Very high93Very high67 Ų6761.3 Ų61.355%0.55429%0.294SS*.Hα-helixtrans-63.1-53.1179.800000110.9A62 K63 N64A60-A62 VanDerWaalsContact C-N 3.3Å; A60-A62 PolarHBondContact O-N 3.5Å; A60-K63 PolarHBondContact O-N 2.9Å; A60-K63 VanDerWaalsContact O-N 3.08Å; A60-N64 PolarHBondContact O-N 2.86Å
61D93.2Very high93Very high16 Ų1662.7 Ų62.79%0.08631%0.308CS..Hα-helixtrans-53.6-46.3177.6-44.812.8000111F31 G32 P33 F56 R58 K63 N64 A65F31-D61 WeakPolarHBondContact O-CB 3.44Å; G32-D61 WeakPolarHBondContact CA-OD2 3.37Å; P33-D61 WeakPolarHBondContact CD-OD2 3.39Å; F56-D61 HydrophobicContact CB-CB 4.47Å; F56-D61 HydrophobicContact CD1-CB 3.95Å; F56-D61 HydrophobicContact CE1-CB 4.4Å; F56-D61 HydrophobicContact CG-CB 4.25Å; R58-D61 HydrophobicContact CB-CB 4.35Å; R58-D61 WeakPolarHBondContact CB-OD1 3.43Å; R58-D61 WeakPolarHBondContact CB-OD2 3.17Å; R58-D61 WeakPolarHBondContact CD-OD1 3.42Å; D61-K63 PolarHBondContact O-N 3.43Å; D61-N64 PolarHBondContact O-N 2.78Å; D61-A65 WeakPolarHBondContact O-CB 3.46Å; D61-A65 PolarHBondContact O-N 3.32Å
62A92.3Very high93Very high0 Ų063.3 Ų63.30%032%0.315CS..Hα-helixtrans-60-45.8175.900000112.8I10 F56 R58 A60 N64 V66I10-A62 HydrophobicContact CG2-CB 4.04Å; F56-A62 HydrophobicContact CB-CB 4.28Å; F56-A62 VanDerWaalsContact CD2-CA 3.47Å; F56-A62 HydrophobicContact CD2-CB 3.65Å; F56-A62 HydrophobicContact CE2-CB 4.37Å; F56-A62 HydrophobicContact CG-CB 4.29Å; R58-A62 PolarHBondContact O-N 2.92Å; A60-A62 VanDerWaalsContact C-N 3.3Å; A60-A62 PolarHBondContact O-N 3.5Å; A62-N64 VanDerWaalsContact C-N 3.34Å; A62-V66 VanDerWaalsContact O-CG2 3.25Å; A62-V66 WeakPolarHBondContact O-CG2 3.49Å; A62-V66 PolarHBondContact O-N 2.85Å
63K92.2Very high92.9Very high117 Ų11769 Ų6951%0.50935%0.345SS..Hα-helixtrans-66.2-34.8176.4-77173.6174.5176.40112.3L59 A60 D61 K67L59-K63 HydrophobicContact CD1-CD 3.99Å; L59-K63 HydrophobicContact CD1-CG 4.11Å; L59-K63 HydrophobicContact CG-CD 4.24Å; L59-K63 WeakPolarHBondContact O-CG 3.44Å; L59-K63 PolarHBondContact O-N 2.8Å; L59-K63 VanDerWaalsContact O-N 3.07Å; A60-K63 PolarHBondContact O-N 2.9Å; A60-K63 VanDerWaalsContact O-N 3.08Å; D61-K63 PolarHBondContact O-N 3.43Å; K63-K67 WeakPolarHBondContact O-CG 3.47Å; K63-K67 PolarHBondContact O-N 3.4Å
64N92.9Very high92.6Very high78 Ų7868.3 Ų68.342%0.41734%0.342SS..Hα-helixtrans-70.4-47.5177.7-157.550.6000111.2F31 A60 D61 A62 V66 K67 E68F31-N64 HydrophobicContact CD1-CB 4.45Å; A60-N64 PolarHBondContact O-N 2.86Å; D61-N64 PolarHBondContact O-N 2.78Å; A62-N64 VanDerWaalsContact C-N 3.34Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.23Å; N64-K67 WeakPolarHBondContact O-CB 3.43Å; N64-K67 PolarHBondContact O-N 2.83Å; N64-E68 PolarHBondContact O-N 2.79Å
65A93.4Very high92.3Very high0 Ų072 Ų720%036%0.362CS..Hα-helixtrans-58.4-35.9174.900000113F28 F31 F56 D61 K67 M69F28-A65 HydrophobicContact CD1-CB 4.03Å; F28-A65 HydrophobicContact CE1-CB 4.31Å; F31-A65 HydrophobicContact CB-CB 4.08Å; F31-A65 HydrophobicContact CD1-CB 4.06Å; F31-A65 HydrophobicContact CD2-CB 4.09Å; F31-A65 HydrophobicContact CG-CB 3.77Å; F56-A65 HydrophobicContact CE2-CB 3.77Å; F56-A65 HydrophobicContact CZ-CB 3.67Å; D61-A65 WeakPolarHBondContact O-CB 3.46Å; D61-A65 PolarHBondContact O-N 3.32Å; A65-K67 VanDerWaalsContact C-N 3.33Å; A65-M69 VanDerWaalsContact O-CB 3.29Å; A65-M69 WeakPolarHBondContact O-CB 3.39Å; A65-M69 PolarHBondContact O-N 2.86Å
66V93.6Very high92.2Very high33 Ų3373.4 Ų73.420%0.239%0.385CS..Hα-helixtrans-66.5-32.1174169.80000112.5I10 A62 N64 N70 V81I10-V66 HydrophobicContact CB-CG2 4.24Å; I10-V66 HydrophobicContact CG2-CG2 3.54Å; A62-V66 VanDerWaalsContact O-CG2 3.25Å; A62-V66 WeakPolarHBondContact O-CG2 3.49Å; A62-V66 PolarHBondContact O-N 2.85Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.23Å; V66-N70 VanDerWaalsContact O-CB 3.23Å; V66-N70 WeakPolarHBondContact O-CB 3.35Å; V66-V81 HydrophobicContact CB-CG1 4.5Å; V66-V81 HydrophobicContact CG2-CG1 4.02Å
67K92.8Very high92.1Very high172 Ų17277.5 Ų77.575%0.74840%0.403SS*.Hα-helixtrans-75.4-49.8176.8-73.5178.2173-171.50111.9K63 N64 A65K63-K67 WeakPolarHBondContact O-CG 3.47Å; K63-K67 PolarHBondContact O-N 3.4Å; N64-K67 WeakPolarHBondContact O-CB 3.43Å; N64-K67 PolarHBondContact O-N 2.83Å; A65-K67 VanDerWaalsContact C-N 3.33Å
68E93.1Very high92.1Very high123 Ų12377 Ų7758%0.57540%0.401SS*.Hα-helixtrans-83.3-40.8-168.9-161.5177.8116.800113F31 N64 N70F31-E68 HydrophobicContact CE1-CB 3.67Å; F31-E68 VanDerWaalsContact CE1-CD 3.43Å; F31-E68 HydrophobicContact CE1-CG 4.06Å; F31-E68 WeakPolarHBondContact CE1-OE1 3.42Å; F31-E68 HydrophobicContact CZ-CB 3.95Å; F31-E68 HydrophobicContact CZ-CG 4.14Å; F31-E68 VanDerWaalsContact CZ-OE1 3.28Å; F31-E68 WeakPolarHBondContact CZ-OE1 3.37Å; N64-E68 PolarHBondContact O-N 2.79Å; E68-N70 PolarHBondContact O-N 3.04Å
69M92.5Very high92.3Very high18 Ų1869.2 Ų69.29%0.08937%0.371CS..SBendtrans-83.8-6.5-176.3-64.8-61.7-54.400114.3I27 F28 F31 A65 G71 V72 I79 V81I27-M69 HydrophobicContact CG2-CE 3.45Å; I27-M69 VanDerWaalsContact CG2-CE 3.45Å; I27-M69 HydrophobicContact CG2-SD 4.13Å; F28-M69 HydrophobicContact CD1-CG 4.32Å; F28-M69 HydrophobicContact CE1-CB 3.81Å; F28-M69 HydrophobicContact CE1-CG 3.76Å; F28-M69 HydrophobicContact CZ-CB 3.96Å; F28-M69 HydrophobicContact CZ-CE 4.46Å; F28-M69 HydrophobicContact CZ-CG 4.1Å; F31-M69 HydrophobicContact CD2-CG 4.37Å; F31-M69 HydrophobicContact CE2-CG 3.41Å; F31-M69 VanDerWaalsContact CE2-CG 3.41Å; F31-M69 HydrophobicContact CE2-SD 3.64Å; F31-M69 HydrophobicContact CZ-CG 3.53Å; F31-M69 HydrophobicContact CZ-SD 3.74Å; A65-M69 VanDerWaalsContact O-CB 3.29Å; A65-M69 WeakPolarHBondContact O-CB 3.39Å; A65-M69 PolarHBondContact O-N 2.86Å; M69-G71 PolarHBondContact O-N 3.09Å; M69-V72 HydrophobicContact CE-CB 4.01Å; M69-V72 HydrophobicContact CE-CG1 3.87Å; M69-V72 HydrophobicContact CE-CG2 4.12Å; M69-V72 PolarHBondContact O-N 2.94Å; M69-V72 HydrophobicContact SD-CG2 4.27Å; M69-I79 HydrophobicContact CB-CD1 4.49Å; M69-I79 HydrophobicContact CE-CD1 3.96Å; M69-I79 WeakPolarHBondContact O-CG1 3.36Å; M69-V81 HydrophobicContact CB-CG2 3.85Å; M69-V81 WeakPolarHBondContact O-CG2 3.32Å
70N93.6Very high92.4Very high82 Ų8272.1 Ų72.144%0.43938%0.381SS..THydrogen-bonded Turntrans-79.1104.2-177.2177.657.4000111.7V66 E68 V81V66-N70 VanDerWaalsContact O-CB 3.23Å; V66-N70 WeakPolarHBondContact O-CB 3.35Å; E68-N70 PolarHBondContact O-N 3.04Å; N70-V81 HydrophobicContact CB-CB 4.11Å; N70-V81 PolarHBondContact OD1-N 2.86Å; N70-V81 VanDerWaalsContact OD1-N 3.07Å; N70-V81 PolarHBondContact OD1-O 2.8Å
71G91.4Very high92.5Very high45 Ų4569 Ų6946%0.46436%0.355SS..THydrogen-bonded Turntrans115.5-15.8-177.200000113.8M69 I79M69-G71 PolarHBondContact O-N 3.09Å; G71-I79 WeakPolarHBondContact CA-O 3.37Å; G71-I79 PolarHBondContact N-O 2.96Å
72V92.4Very high92.5Very high58 Ų5874.5 Ų74.535%0.35238%0.378SS..  trans-57143.1-179.5174.80000111.6M69 R78 I79M69-V72 HydrophobicContact CE-CB 4.01Å; M69-V72 HydrophobicContact CE-CG1 3.87Å; M69-V72 HydrophobicContact CE-CG2 4.12Å; M69-V72 PolarHBondContact O-N 2.94Å; M69-V72 HydrophobicContact SD-CG2 4.27Å; V72-R78 WeakPolarHBondContact O-CA 3.37Å; V72-I79 HydrophobicContact CB-CG1 4.4Å; V72-I79 WeakPolarHBondContact O-CG1 3.44Å; V72-I79 PolarHBondContact O-N 2.76Å
73I92.3Very high92.4Very high121 Ų12176.4 Ų76.462%0.62139%0.387SS*.EExtended strand (participates in β ladder)trans-90.2123.1176.9-59.1175.4000109.2K77 R78I73-K77 WeakPolarHBondContact CA-O 3.43Å; I73-R78 HydrophobicContact CG1-CB 4.4Å
74L89.2Confident92.2Very high21 Ų2170.9 Ų70.911%0.1136%0.363CS..EExtended strand (participates in β ladder)trans-126.7130.5177.5-17668000109.6L15 T19 L24 I27 G76 K77 I79L15-L74 HydrophobicContact CD2-CD2 3.81Å; T19-L74 HydrophobicContact CG2-CD2 3.79Å; L24-L74 HydrophobicContact CD2-CD2 4.42Å; I27-L74 HydrophobicContact CD1-CD1 3.39Å; I27-L74 HydrophobicContact CD1-CD2 4.48Å; L74-G76 PolarHBondContact O-N 3.09Å; L74-G76 VanDerWaalsContact O-N 3.09Å; L74-K77 PolarHBondContact N-O 2.8Å; L74-K77 PolarHBondContact O-N 2.86Å; L74-K77 VanDerWaalsContact O-O 3.12Å; L74-I79 HydrophobicContact CB-CG2 3.74Å; L74-I79 HydrophobicContact CD2-CG2 4.36Å
75D88Confident91.8Very high79 Ų7976.2 Ų76.242%0.42238%0.378SS..THydrogen-bonded Turntrans4936.6-178.3-60.7-40.4000113.1N16 T19N16-D75 HydrophobicContact CB-CB 3.53Å; N16-D75 PolarHBondContact ND2-O 3.11Å; T19-D75 WeakPolarHBondContact CB-OD2 3.5Å; T19-D75 PolarHBondContact OG1-OD2 2.9Å
76G90.1Very high90.9Very high70 Ų7084 Ų8472%0.72241%0.407SS*.THydrogen-bonded Turntrans78.76.9-176.400000116.2L74L74-G76 PolarHBondContact O-N 3.09Å; L74-G76 VanDerWaalsContact O-N 3.09Å
77K91.9Very high89.6Confident91 Ų9187.3 Ų87.340%0.39643%0.429SS..EExtended strand (participates in β ladder)trans-125.7134.5-178.1-69.7177.1178168.10112.4G14 N16 I73 L74 I79G14-K77 WeakPolarHBondContact O-CB 3.5Å; N16-K77 HydrophobicContact CB-CD 3.97Å; N16-K77 PolarHBondContact OD1-NZ 2.74Å; I73-K77 WeakPolarHBondContact CA-O 3.43Å; L74-K77 PolarHBondContact N-O 2.8Å; L74-K77 PolarHBondContact O-N 2.86Å; L74-K77 VanDerWaalsContact O-O 3.12Å; K77-I79 PolarHBondContact O-N 2.91Å
78R93.9Very high87.8Confident188 Ų18883.6 Ų83.671%0.70942%0.424SS*.EExtended strand (participates in β ladder)trans-72.4118.9176.963.5-177.374.4-179.63111.1V72 I73V72-R78 WeakPolarHBondContact O-CA 3.37Å; I73-R78 HydrophobicContact CG1-CB 4.4Å
79I95.2Very high85.7Confident2 Ų282.6 Ų82.61%0.0143%0.431CS..  trans-86.5145.1-179.277177.1000110.7I12 G13 L15 F28 M69 G71 V72 L74 K77 V81I12-I79 HydrophobicContact CG2-CB 4.5Å; I12-I79 HydrophobicContact CG2-CD1 4.26Å; G13-I79 CarbonylContact O-C 3.54Å; G13-I79 WeakPolarHBondContact O-CA 3.49Å; L15-I79 HydrophobicContact CD2-CG2 3.94Å; F28-I79 HydrophobicContact CE2-CD1 4.48Å; F28-I79 HydrophobicContact CZ-CD1 4.14Å; M69-I79 HydrophobicContact CB-CD1 4.49Å; M69-I79 HydrophobicContact CE-CD1 3.96Å; M69-I79 WeakPolarHBondContact O-CG1 3.36Å; G71-I79 WeakPolarHBondContact CA-O 3.37Å; G71-I79 PolarHBondContact N-O 2.96Å; V72-I79 HydrophobicContact CB-CG1 4.4Å; V72-I79 WeakPolarHBondContact O-CG1 3.44Å; V72-I79 PolarHBondContact O-N 2.76Å; L74-I79 HydrophobicContact CB-CG2 3.74Å; L74-I79 HydrophobicContact CD2-CG2 4.36Å; K77-I79 PolarHBondContact O-N 2.91Å; I79-V81 HydrophobicContact CD1-CG2 3.91Å; I79-V81 HydrophobicContact CG1-CG2 4.03Å
80K94.6Very high83.8Confident134 Ų13489.9 Ų89.958%0.58347%0.47SS*.EExtended strand (participates in β ladder)trans-112.4112.9175.1-67.4-179179.6178.20108.2G13G13-K80 PolarHBondContact N-O 3.15Å; G13-K80 PolarHBondContact O-N 2.85Å
81V94.5Very high81.7Confident2 Ų295.1 Ų95.11%0.01249%0.492CS..EExtended strand (participates in β ladder)trans-105.8129-178.9-170.30000108.8I10 F11 I12 F28 V66 M69 N70 I79I10-V81 HydrophobicContact CD1-CG1 3.91Å; F11-V81 WeakPolarHBondContact O-CA 3.36Å; I12-V81 HydrophobicContact CG1-CG1 4.44Å; I12-V81 HydrophobicContact CG2-CG2 4.38Å; F28-V81 HydrophobicContact CE1-CG1 4.28Å; F28-V81 HydrophobicContact CE1-CG2 4.32Å; F28-V81 HydrophobicContact CZ-CG2 4Å; V66-V81 HydrophobicContact CB-CG1 4.5Å; V66-V81 HydrophobicContact CG2-CG1 4.02Å; M69-V81 HydrophobicContact CB-CG2 3.85Å; M69-V81 WeakPolarHBondContact O-CG2 3.32Å; N70-V81 HydrophobicContact CB-CB 4.11Å; N70-V81 PolarHBondContact OD1-N 2.86Å; N70-V81 VanDerWaalsContact OD1-N 3.07Å; N70-V81 PolarHBondContact OD1-O 2.8Å; I79-V81 HydrophobicContact CD1-CG2 3.91Å; I79-V81 HydrophobicContact CG1-CG2 4.03Å
82K92.5Very high79.5Confident131 Ų13196.8 Ų96.857%0.5750%0.496SS*.EExtended strand (participates in β ladder)trans-141.5159-178.7-67.2-170174.8-169.70110I10 F11 A84I10-K82 CarbonylContact C-O 3.58Å; I10-K82 WeakPolarHBondContact CA-O 3.26Å; F11-K82 PolarHBondContact N-O 2.9Å; F11-K82 PolarHBondContact O-N 2.81Å; K82-A84 PolarHBondContact O-N 2.98Å
83Q91.3Very high77.2Confident39 Ų3998 Ų9818%0.18252%0.52CS..EExtended strand (participates in β ladder)trans-60.8134.5165.8-162.66625.900109.7T4 Q6 P7 K9 R85T4-Q83 HydrophobicContact CG2-CB 4.02Å; T4-Q83 HydrophobicContact CG2-CG 3.62Å; Q6-Q83 PolarHBondContact O-NE2 2.84Å; P7-Q83 VanDerWaalsContact C-NE2 3.29Å; P7-Q83 PolarHBondContact O-NE2 2.55Å; K9-Q83 PolarHBondContact O-NE2 3.1Å; Q83-R85 PolarHBondContact O-N 3.23Å
84A88.3Confident75.2Confident1 Ų196.3 Ų96.31%0.00852%0.519CS..PPolyproline II helixtrans-74.2130.3178.800000110.5K9 F11 F53 K82K9-A84 HydrophobicContact CB-CB 4.04Å; K9-A84 HydrophobicContact CD-CB 3.88Å; K9-A84 HydrophobicContact CG-CB 3.68Å; K9-A84 VanDerWaalsContact O-CB 3.23Å; K9-A84 WeakPolarHBondContact O-CB 3.36Å; K9-A84 PolarHBondContact O-N 2.92Å; F11-A84 HydrophobicContact CB-CB 4.33Å; F53-A84 HydrophobicContact CD1-CB 3.99Å; F53-A84 HydrophobicContact CE1-CB 4.18Å; K82-A84 PolarHBondContact O-N 2.98Å
85R83.7Confident73.3Confident191 Ų191104.8 Ų104.872%0.72156%0.555SS**PPolyproline II helixtrans-80.5156.4161.1-69.3-177.1168.3-176.4-6.1109.5Q83Q83-R85 PolarHBondContact O-N 3.23Å
86R75.1Confident71.4Confident164 Ų164110.3 Ų110.362%0.61958%0.576SS**PPolyproline II helixtrans-57138.5165.659179139.3163.1-20.4109.2D5 S88D5-R86 HydrophobicContact CB-CB 4.25Å; D5-R86 HydrophobicContact CB-CG 4.27Å; D5-R86 IonicContact OD1-CZ 3.14Å; D5-R86 IonicContact OD1-NE 2.83Å; D5-R86 PolarHBondContact OD1-NE 2.96Å; D5-R86 IonicContact OD1-NH2 2.77Å; D5-R86 PolarHBondContact OD1-NH2 3.11Å; D5-R86 WeakPolarHBondContact OD2-CG 3.23Å; D5-R86 IonicContact OD2-CZ 3.9Å; D5-R86 IonicContact OD2-NE 3.02Å; D5-R86 PolarHBondContact OD2-NE 2.79Å; D5-R86 IonicContact OD2-NH2 3.83Å; R86-S88 PolarHBondContact O-N 3.29Å
87P65.9Low69.4Low102 Ų102116.8 Ų116.866%0.66258%0.578SS**  trans-66.4105.8163.328.7-30.6000106.8S89P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 3.3Å
88S55.1Low67.9Low93 Ų93117.5 Ų117.565%0.6559%0.592SS**  trans-6989.6178.953.40000109.4R86 L90R86-S88 PolarHBondContact O-N 3.29Å; S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 3.26Å
89S48.7Very low65.9Low102 Ų102113.9 Ų113.971%0.71359%0.593SS**  trans-70.683.4178.5-177.70000110.4P87 E91P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 3.3Å; S89-E91 PolarHBondContact O-N 3.32Å
90L53.2Low63.4Low172 Ų172118.1 Ų118.190%0.90162%0.623SS**SBendtrans55.65.9161.5-60172.1000118.3S88S88-L90 VanDerWaalsContact C-N 3.29Å; S88-L90 PolarHBondContact O-N 3.26Å
91E48.6Very low61.1Low192 Ų192120.3 Ų120.390%0.89763%0.632SS**  trans-106.742.1-175.7-149.7173.6102.800113.8S89S89-E91 PolarHBondContact O-N 3.32Å
92S44.2Very low58.9Low79 Ų79124.6 Ų124.655%0.55266%0.662SS**  trans-137.488.1152.452.70000109.3S94S92-S94 PolarHBondContact O-N 3.01Å
93G44.6Very low56.8Low84 Ų84129.8 Ų129.887%0.86668%0.679SS**  trans-59.4-9.8177.200000114.2K95G93-K95 VanDerWaalsContact C-N 3.29Å; G93-K95 PolarHBondContact O-N 2.97Å
94S50.8Low54.7Low86 Ų86134 Ų13460%0.60171%0.707SS**  trans-75.778.2165.648.80000111.4S92 K96S92-S94 PolarHBondContact O-N 3.01Å; S94-K96 PolarHBondContact O-N 2.79Å
95K50Low52.6Low199 Ų199145.3 Ų145.387%0.86575%0.749SS**  trans-59.180141-78.7-177.7-1791730107.7G93 R97G93-K95 VanDerWaalsContact C-N 3.29Å; G93-K95 PolarHBondContact O-N 2.97Å; K95-R97 PolarHBondContact O-N 2.87Å
96K46.5Very low50.4Low195 Ų195140.2 Ų140.285%0.84876%0.756SS**  trans-57.994.9151.9-83.7-171.3175.6-178.70105S94S94-K96 PolarHBondContact O-N 2.79Å
97R49.1Very low49.4Very low206 Ų206135.9 Ų135.978%0.77776%0.756SS**  trans-43.5138.9155.4-61.2168.477.2153.10.8105.2K95 P99K95-R97 PolarHBondContact O-N 2.87Å; R97-P99 VanDerWaalsContact O-N 3.15Å
98P61Low48.4Very low106 Ų106136.8 Ų136.869%0.68876%0.764SS**  trans-48.9131.9165.625-33.4000106.1S100P98-S100 PolarHBondContact O-N 2.89Å
99P50.6Low48.2Very low112 Ų112143.1 Ų143.173%0.72777%0.774SS**  trans-54.8111.3-174.222.3-32.6000106.5R97 F101R97-P99 VanDerWaalsContact O-N 3.15Å; P99-F101 PolarHBondContact O-N 3.04Å
100S43.6Very low48.2Very low90 Ų90144.8 Ų144.863%0.62977%0.774SS**  trans-56.8118.7177.647.10000105P98 S102P98-S100 PolarHBondContact O-N 2.89Å; S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 PolarHBondContact O-OG 2.98Å
101F46.7Very low48Very low180 Ų180145.1 Ų145.179%0.78978%0.775SS**  trans-68.479.8178.2-5.5-91000106.8P99 R103P99-F101 PolarHBondContact O-N 3.04Å; F101-R103 PolarHBondContact O-N 2.83Å
102S47Very low48Very low92 Ų92145.6 Ų145.664%0.64377%0.774SS**  trans-63.793.5170.436.10000105.8S100 T104S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 PolarHBondContact O-OG 2.98Å; S102-T104 PolarHBondContact O-N 3.05Å
103R48.7Very low47.9Very low241 Ų241147.7 Ų147.791%0.90979%0.788SS**  trans-68.965.4171.6-67.8-175.2178.4-172.6-0.3108.4F101F101-R103 PolarHBondContact O-N 2.83Å
104T47.9Very low47.9Very low126 Ų126147.1 Ų147.177%0.77378%0.782SS**  trans-141.842.6-173.2-36.10000108.7S102S102-T104 PolarHBondContact O-N 3.05Å
105R43Very low47.8Very low239 Ų239155.3 Ų155.390%0.90280%0.799SS**  trans-123.930.9161.7-156178.8-77.2-165.3-4.2111A107R105-A107 PolarHBondContact O-N 3.39Å; R105-A107 VanDerWaalsContact O-N 3.13Å
106G39.2Very low47.5Very low84 Ų84149.4 Ų149.487%0.86680%0.795SS**  trans-79.545.3162.400000111.3S108G106-S108 PolarHBondContact O-N 3.21Å
107A52.4Low47.5Very low74 Ų74143.6 Ų143.661%0.61279%0.791SS**  trans-79.7108.1-177.100000110.3R105 R109R105-A107 PolarHBondContact O-N 3.39Å; R105-A107 VanDerWaalsContact O-N 3.13Å; A107-R109 PolarHBondContact O-N 3.35Å
108S46.8Very low47.4Very low120 Ų120145.3 Ų145.384%0.83980%0.797SS**  trans4474145.2-50.90000117.3G106G106-S108 PolarHBondContact O-N 3.21Å
109R50.8Low47Very low227 Ų227144.9 Ų144.986%0.85780%0.797SS**  trans-129.889.2158.2-73.8-160.1-67.6174-0113.2A107A107-R109 PolarHBondContact O-N 3.35Å
110I47.3Very low46.8Very low137 Ų137150.5 Ų150.570%0.70380%0.804SS**  trans57.598.9136.6-52.5154.5000115.9K112I110-K112 HydrophobicContact CG2-CB 3.92Å
111L49Very low47Very low179 Ų179150.6 Ų150.694%0.93781%0.81SS**  trans-105.6131.2135.4-72.6178.3000107.8
112K49.2Very low47Very low201 Ų201153.6 Ų153.687%0.87482%0.816SS**  trans-132.186-171.5-177.4-179.4173.4-179.70110.8I110I110-K112 HydrophobicContact CG2-CB 3.92Å
113C41.9Very low47Very low123 Ų123155.6 Ų155.683%0.83183%0.83SS**  trans-123.1141.6155.747.30000106.6
114G45.2Very low47Very low72 Ų72147.7 Ų147.774%0.74282%0.823SS**  cis110.264.726.800000107.6
115R47.7Very low47.4Very low258 Ų258147.6 Ų147.697%0.97483%0.825SS**  70.992.781.6-170.6-160.2-173.3-157.73.5112.9
116G44.4Very low47.4Very low75 Ų75141.9 Ų141.977%0.77382%0.821SS**  trans135.5155.3158.700000115.6
117G45.4Very low47.7Very low74 Ų74143.3 Ų143.376%0.76382%0.817SS**  trans71.7109176.100000114
118R48Very low47.2Very low241 Ų241149.1 Ų149.191%0.90983%0.832SS**  cis68.7122.430.7-58.3-169.8177.9-132.51.5115.6
119S51.6Low47Very low97 Ų97146.8 Ų146.868%0.67883%0.826SS**  trans76.4152.4162.2-56.40000117.3
120R46.5Very low46.7Very low231 Ų231143.7 Ų143.787%0.87283%0.827SS**  cis-168.4169.7-21-108.6163.1-169.8164.60.7107.6
121A48.6Very low46.8Very low92 Ų92145.4 Ų145.476%0.7684%0.836SS**  trans68.3139.3178.800000114.1
122R47.3Very low46.6Very low242 Ų242140.8 Ų140.891%0.91383%0.832SS**  cis70.710242.1-71-170.3177.2-179.4-0.8114.1
123S46.4Very low46.5Very low134 Ų134134.4 Ų134.494%0.93782%0.823SS**  -164.9156.4129.8-990000110.2
124G47.6Very low46.8Very low75 Ų75135 Ų13577%0.77382%0.818SS**  trans-104-163.7-167.300000116.1
125P56.7Low46.7Very low125 Ų125141.3 Ų141.381%0.81282%0.82SS**  trans-117.2172.4-159.542.4-33.4000114.6
126S43.6Very low46.6Very low118 Ų118139.5 Ų139.583%0.82581%0.814SS**  trans169.4126.213656.10000114.7
127C45.9Very low47.2Very low114 Ų114142.9 Ų142.977%0.7782%0.82SS**  trans-173.3118142.848.30000106.9
128E41.6Very low47.7Very low197 Ų197143.8 Ų143.892%0.92181%0.813SS**  58.812594.8-70.5177.375.100114.7
129G42.5Very low47.5Very low71 Ų71138.8 Ų138.873%0.73280%0.804SS**  cis158.3136.9-8.400000112.8
130N44.5Very low47.1Very low162 Ų162142.8 Ų142.887%0.86681%0.809SS**  trans-165.3151.9152.5-130.1-44.9000111.8
131L48.8Very low46.8Very low172 Ų172138.9 Ų138.990%0.90181%0.806SS**  trans-137.9136.8-179.7-72.9173.7000110.8
132G45.6Very low46.8Very low82 Ų82140.7 Ų140.785%0.84581%0.807SS**  trans155.6139.2172.800000111.5
133G46.3Very low46.5Very low67 Ų67133.9 Ų133.969%0.69180%0.797SS**  cis150.4108.6-3.200000111.6
134D49.1Very low46.5Very low135 Ų135132.3 Ų132.372%0.72279%0.785SS**  trans70.6133.7157.6-84.1-73.9000123.2
135R43.6Very low46.9Very low205 Ų205135 Ų13577%0.77479%0.792SS**  trans77.5108.3139.6-72.7175.1-69.4-166-5.3122.8
136Y45.7Very low46.4Very low221 Ų221132.3 Ų132.387%0.86779%0.788SS**  53.2108.1118.9-92.9-95.8000121.4
137T56.5Low46.6Very low145 Ų145137.2 Ų137.289%0.8979%0.788SS**  trans-155.3131.6138.7480000111.5
138P55.9Low46.6Very low94 Ų94140.8 Ų140.861%0.6179%0.793SS**  trans-117.1161.6170.439-29.8000114.7
139N42.5Very low46.7Very low135 Ų135140.2 Ų140.272%0.72279%0.788SS**  trans64.9165.6174.9-55.3-28.6000114.8
140F45Very low47Very low181 Ų181141.6 Ų141.679%0.79479%0.792SS**  cis-137.2151.710.6-53.3-105000107.5
141N40.4Very low47.5Very low150 Ų150139.9 Ų139.980%0.80279%0.788SS**  cis73.192.430.6-166.319.3000116.4
142V48.3Very low47.4Very low130 Ų130140.3 Ų140.379%0.78878%0.782SS**  trans-158.7139.9153.994.60000113.2
143S40.2Very low47.2Very low99 Ų99147.9 Ų147.969%0.69279%0.785SS**  trans57147.9155-67.30000122.6
144S46.5Very low47Very low100 Ų100151.9 Ų151.970%0.69979%0.791SS**  cis-167.8142.4-13.9-102.20000113.2
145S55.8Low47Very low131 Ų131151 Ų15192%0.91679%0.793SS**  trans62.7154.9160.477.90000118.6
146G46.4Very low47.1Very low69 Ų69146.2 Ų146.271%0.71179%0.79SS**  trans176.1-25.417800000121.2
147R47.7Very low47.3Very low221 Ų221140.2 Ų140.283%0.83478%0.781SS**  trans66.4119.4178-53.5173.6-179.5-92.7-2.4117.1F149R147-F149 HydrophobicContact CB-CE2 4.47Å
148H46.5Very low46.9Very low189 Ų189142.7 Ų142.788%0.87578%0.779SS**  trans-64.2148.1154.3-77.4178.2000111.1
149F43.8Very low46.4Very low185 Ų185148.9 Ų148.981%0.81179%0.79SS**  trans-126.9114.6152.4-82.1-78.7000109.7R147R147-F149 HydrophobicContact CB-CE2 4.47Å
150A48.7Very low46.5Very low100 Ų100150.2 Ų150.283%0.82680%0.797SS**  trans-108.6115.1173.100000109.2
151V53.9Low46.6Very low127 Ų127149.4 Ų149.477%0.7780%0.802SS**  trans-129.2109.5175.7-179.70000111
152K47.6Very low47.8Very low181 Ų181147.5 Ų147.579%0.78780%0.797SS**  trans36.3106152.9-67.2-178.9176.1177.60119
153R41.1Very low48.2Very low240 Ų240147.5 Ų147.591%0.90680%0.8SS**  trans-49.8142.2140.8-56.3154.379.8129.8-1.6109.2
154N42.6Very low48.7Very low151 Ų151147.4 Ų147.481%0.80780%0.799SS**  trans-137.1135160.7-100.8-20.2000108.8
155P47.6Very low48.7Very low118 Ų118152.1 Ų152.177%0.76681%0.807SS**  trans-107.9170.2-169.441-36.3000115
156S46.6Very low48.3Very low103 Ų103158 Ų15872%0.7281%0.809SS**  trans75.5115.4146.1-144.90000121.4
157S50.3Low48.1Very low96 Ų96160.5 Ų160.567%0.67182%0.816SS**  trans55.197.2130.967.90000121.1
158K47.9Very low48.1Very low196 Ų196154.3 Ų154.385%0.85281%0.812SS**  -153.8120.1119-98.4154.6-176.51790105.7
159R44.4Very low48.2Very low224 Ų224151.3 Ų151.385%0.84581%0.807SS**  51.7100.678.1-67.7-170.5-179.4-173.41.2110.8
160D46.2Very low48.3Very low163 Ų163148 Ų14887%0.87281%0.807SS**  -170.1112.9108.4-82-23.1000109.9
161D47.1Very low48.3Very low165 Ų165147.3 Ų147.388%0.88280%0.801SS**  trans-115.8157.7171.5-111.4-52.3000108.4
162P64.6Low48.2Very low109 Ų109150 Ų15071%0.70881%0.805SS**  trans-94.7177.8-148.637.8-41.1000114.6
163P56.3Low47.9Very low130 Ų130146.8 Ų146.884%0.84480%0.801SS**  trans-107.1138.5152.635.3-27.8000112.6
164S51.4Low48Very low97 Ų97147 Ų14768%0.67880%0.802SS**  trans-94.5154.3170.676.90000111.9
165K45.6Very low48.1Very low199 Ų199144.4 Ų144.487%0.86580%0.796SS**  trans56.9126.2155.4-60.3171.3179.8175.20118.2
166R47.3Very low48.1Very low255 Ų255146.8 Ų146.896%0.96280%0.802SS**  trans-147.7149.4142.4-122.2177-176.1-130.9-1111.5
167S42.4Very low47.8Very low122 Ų122148.4 Ų148.485%0.85381%0.808SS**  trans-131.5128.7179.6-52.70000109.3
168A48Very low47.2Very low91 Ų91147 Ų14775%0.75281%0.809SS**  trans-164.3127.5166.300000106.3
169T49.5Very low47.5Very low126 Ų126145.9 Ų145.977%0.77381%0.811SS**  cis97115.133.662.10000114.8
170S46Very low47.1Very low114 Ų114147.3 Ų147.380%0.79782%0.817SS**  trans75.4158.3148.773.10000120.8
171A48.4Very low46.8Very low87 Ų87143 Ų14372%0.71981%0.811SS**  trans68.7145168.100000118.3
172Q51Low46.6Very low182 Ų182147.4 Ų147.485%0.8582%0.815SS**  cis-159.7168.9-33.2-133.2167.21.100110.3
173T41.1Very low45.6Very low114 Ų114148.5 Ų148.570%0.69981%0.811SS**  trans-45.4143.6173.149.60000115.9
174R44.8Very low45.4Very low244 Ų244148 Ų14892%0.92181%0.808SS**  -167.4161.2117.7-101.8152.9-167.6-130.2-1113.4
175S44Very low44.9Very low97 Ų97151 Ų15168%0.67881%0.811SS**  trans-82.5165.8-174.950.10000113.5
176N47Very low44.8Very low169 Ų169151.9 Ų151.990%0.90481%0.809SS**  trans-152141.8130.8-108.7-15.4000113.2
177T41.3Very low44.7Very low136 Ų136148.6 Ų148.683%0.83480%0.797SS**  trans-120.4142.1178.848.80000109.6
178G37.4Very low44.6Very low68 Ų68149.7 Ų149.770%0.70179%0.788SS**  trans153.3162.6162.100000115.7
179L53.6Low44.6Very low172 Ų172152.7 Ų152.790%0.90179%0.79SS**  trans60.899.6165.8-43.5-176.4000114.3
180R36.8Very low44.2Very low253 Ų253150.5 Ų150.596%0.95578%0.78SS**  cis66.281.427.1-154.4-172.9-153.6-106.64.3113.8
181G38.4Very low44Very low74 Ų74155.3 Ų155.376%0.76378%0.78SS**  trans-170.688177.300000118.1
182R43.4Very low43.9Very low256 Ų256159 Ų15997%0.96679%0.788SS**  trans60.3129.7145.7-60.8-176177.4-131.1-1122.1
183E43.3Very low43.5Very low133 Ų133159 Ų15962%0.62179%0.79SS**  trans-81.9174.6159.6-149.6-142.7-158.700111H185E183-H185 VanDerWaalsContact CD-N 3.28Å; E183-H185 IonicContact OE1-ND1 3.94Å; E183-H185 IonicContact OE2-CD2 3.29Å; E183-H185 PolarHBondContact OE2-CD2 3.48Å; E183-H185 VanDerWaalsContact OE2-CD2 3.29Å; E183-H185 IonicContact OE2-CE1 3.87Å; E183-H185 IonicContact OE2-CG 3.34Å; E183-H185 PolarHBondContact OE2-N 3Å; E183-H185 IonicContact OE2-ND1 3.72Å; E183-H185 IonicContact OE2-NE2 3.68Å
184P51.9Low44Very low120 Ų120159.2 Ų159.278%0.77979%0.794SS**  -150.3147.596.937.9-20.1000118.6
185H42.1Very low43.6Very low160 Ų160159.9 Ų159.974%0.74180%0.796SS**  trans-36.1153.7167.7-61.1-78.9000119.7E183E183-H185 VanDerWaalsContact CD-N 3.28Å; E183-H185 IonicContact OE1-ND1 3.94Å; E183-H185 IonicContact OE2-CD2 3.29Å; E183-H185 PolarHBondContact OE2-CD2 3.48Å; E183-H185 VanDerWaalsContact OE2-CD2 3.29Å; E183-H185 IonicContact OE2-CE1 3.87Å; E183-H185 IonicContact OE2-CG 3.34Å; E183-H185 PolarHBondContact OE2-N 3Å; E183-H185 IonicContact OE2-ND1 3.72Å; E183-H185 IonicContact OE2-NE2 3.68Å
186R42.2Very low43.5Very low217 Ų217158.6 Ų158.682%0.81980%0.798SS**  trans-154.4123.1130.1-126.8-172.1-177.9-159.82.3114.4
187R45.5Very low43.5Very low186 Ų186159.6 Ų159.670%0.70280%0.797SS**  trans43.3140.3132.8-72.7-164.2158.7144.23.9121.2
188E40.3Very low43.7Very low145 Ų145159.1 Ų159.168%0.67880%0.796SS**  cis-170.1-158-5.3-130.8157.1-147.900110.1
189I48.2Very low43.9Very low153 Ų153160.6 Ų160.679%0.78580%0.802SS**  trans89.976.7163.5-44.4-178.4000117.5
190S40.8Very low43.4Very low80 Ų80157.3 Ų157.356%0.55979%0.793SS**  60.1118.3118.5-700000123.4
191R43.4Very low43.6Very low216 Ų216150.3 Ų150.382%0.81578%0.783SS**  68.6110.3127.1-55.6166.5-146.2-154.70.5118.9
192N45.9Very low43.6Very low164 Ų164158.1 Ų158.188%0.87779%0.789SS**  -171.5137104.9-90.3-22.6000111.6
193M41.9Very low43.6Very low182 Ų182156.4 Ų156.490%0.89778%0.783SS**  trans-164112.1-178.7-113-79.9-173.800110
194P52.1Low43.4Very low119 Ų119156.8 Ų156.877%0.77379%0.79SS**  trans-91.9154166.634.5-30.4000111.7
195R36.7Very low42.8Very low258 Ų258159.5 Ų159.597%0.97479%0.792SS**  trans-92.5156.9178.4-71177.9170.3-175.7-2.9112.4
196G40.7Very low42.6Very low69 Ų69162.6 Ų162.671%0.71180%0.798SS**  trans139.2144.3147.900000114.6
197E47.1Very low42.9Very low191 Ų191157.8 Ų157.889%0.89380%0.796SS**  cis-151.5160.8-17.1-80.9-153.2130.500109.5
198P46.2Very low42.8Very low125 Ų125156.9 Ų156.981%0.81280%0.804SS**  trans-113107.217936.4-24.2000114.3
199A42.7Very low43.6Very low99 Ų99155.7 Ų155.782%0.81881%0.809SS**  trans-164160164.900000110.4
200S42.2Very low43.1Very low104 Ų104159.5 Ų159.573%0.72781%0.813SS**  cis-171.2172.4-32.665.80000107.9
201S41.6Very low43.5Very low105 Ų105163.1 Ų163.173%0.73483%0.826SS**  trans75.4144.4166.685.20000119.9
202R38.6Very low43.2Very low238 Ų238162.9 Ų162.990%0.89883%0.827SS**  trans79.9125.4173.5-57.3-175.5176.9-159.2-2118.1
203R43.1Very low42.9Very low220 Ų220158.8 Ų158.883%0.8382%0.824SS**  cis-163.1151.8-34.6-132.1-163.6-172-139.16.1106
204D37.5Very low42.8Very low142 Ų142158.9 Ų158.976%0.75982%0.822SS**  trans-62.9148.7174.6-46.7-100.6000111.8
205E39.2Very low42.3Very low176 Ų176158 Ų15882%0.82282%0.818SS**  174.5120120.9-92.1170.5111.300112.1
206Y39.8Very low42.6Very low225 Ų225149.8 Ų149.888%0.88280%0.801SS**  trans-84.8147.9152.2-84.5-91.7000106.7
207P48.1Very low42.9Very low117 Ų117152.3 Ų152.376%0.7680%0.798SS**  -150.8-178.667.739.5-18.7000116.9
208L43Very low42.6Very low167 Ų167150.2 Ų150.287%0.87479%0.793SS**PPolyproline II helixtrans-78.9126.4171.3-71.5164000111.7
209P56.1Low42.7Very low120 Ų120154.3 Ų154.378%0.77979%0.792SS**PPolyproline II helixtrans-77.9123.1164.5-13.230000111.1
210R38.4Very low42.8Very low232 Ų232158.9 Ų158.988%0.87579%0.793SS**PPolyproline II helixtrans-85138.1147.6-83.1177.4167.6172.2-4.2106.8
211D49.3Very low42.6Very low157 Ų157164.3 Ų164.384%0.8480%0.799SS**  trans-141.5139.7157.3-110-48.4000112.1
212Y36.9Very low42.5Very low210 Ų210168.3 Ų168.382%0.82481%0.807SS**  trans-102.898.8179-103.9-99.5000108.9Q214Y212-Q214 PolarHBondContact O-N 2.86Å
213G40.7Very low42.4Very low79 Ų79162 Ų16281%0.81480%0.799SS**  trans-94.483.6177.600000112.9
214Q39.3Very low42.6Very low184 Ų184157.7 Ų157.786%0.8680%0.797SS**  trans-72.8130.7165.7-65.4-179.1500109.6Y212Y212-Q214 PolarHBondContact O-N 2.86Å
215S41.5Very low42.9Very low100 Ų100155.1 Ų155.170%0.69979%0.79SS**  trans-141.698.1172.8-169.50000110.2
216S41.6Very low43.1Very low86 Ų86158.1 Ų158.160%0.60179%0.794SS**  trans-64.8139.1167.2171.20000109.4D218S216-D218 PolarHBondContact OG-N 3.38Å; S216-D218 VanDerWaalsContact OG-N 3.11Å; S216-D218 PolarHBondContact OG-OD2 2.98Å
217N47.5Very low43.2Very low121 Ų121150.4 Ų150.465%0.64778%0.783SS**  trans-12657.2163.2-82.1-86.1000110.1R219N217-R219 PolarHBondContact O-N 2.83Å
218D41.7Very low43.1Very low148 Ų148152.2 Ų152.279%0.79179%0.786SS**  trans-56.397.1160.6-85.6-72.2000110.8S216S216-D218 PolarHBondContact OG-N 3.38Å; S216-D218 VanDerWaalsContact OG-N 3.11Å; S216-D218 PolarHBondContact OG-OD2 2.98Å
219R48.8Very low43.2Very low211 Ų211149.2 Ų149.280%0.79678%0.778SS**  trans-139.9105.7167.9-71.2-166.7-179150.87.8113.1N217N217-R219 PolarHBondContact O-N 2.83Å
220K44.5Very low42.4Very low195 Ų195149.8 Ų149.885%0.84877%0.774SS**  trans55.9104.3146.3-67.1-170.3169.5-168.40118.2
221Y36.9Very low42.3Very low217 Ų217149.7 Ų149.785%0.85178%0.776SS**  6.1123.6114.7-67.7-97.5000116.8
222E40.5Very low41.9Very low190 Ų190145.8 Ų145.889%0.88877%0.772SS**  -151121.9127-158.2126.1-154.600109.1
223S36.2Very low41.8Very low105 Ų105142.8 Ų142.873%0.73477%0.77SS**  trans-113.5105.5-173.3-65.90000111.3
224T47.6Very low41.4Very low130 Ų130149 Ų14980%0.79877%0.771SS**  trans176.3150163.118.50000107.7
225S44.4Very low41.5Very low87 Ų87148.6 Ų148.661%0.60877%0.769SS**  cis-148.5145.213.8-82.90000113.1
226R43.1Very low41.2Very low240 Ų240149.2 Ų149.291%0.90677%0.772SS**  46.3140.6129.5-56.8172.6170.3158.9-3.7122.2
227G40.5Very low41Very low62 Ų62154.8 Ų154.864%0.63978%0.78SS**  trans12692.5168.300000111.1
228N46.6Very low40.4Very low156 Ų156157.6 Ų157.683%0.83479%0.79SS**  63.4134.186.7-66.337.2000112.5
229C45.2Very low40.3Very low103 Ų103157.1 Ų157.170%0.69678%0.783SS**  cis-166.3125.8-1.5440000106.4
230D39Very low40.1Very low133 Ų133152.8 Ų152.871%0.71179%0.785SS**  80.3120.886.5-79.2-60.8000116.9
231Y36.5Very low40Very low230 Ų230148.6 Ų148.690%0.90279%0.787SS**  trans56.3156.4155.4-73.9-97.7000121.6
232G40.2Very low40.3Very low74 Ų74143.4 Ų143.476%0.76378%0.782SS**  trans146.234.6159.800000121
233N35.3Very low40.6Very low148 Ų148144 Ų14479%0.79178%0.782SS**  trans-83.8108.9164.4166.555.3000110.5
234Y32.6Very low40.9Very low210 Ų210144.3 Ų144.382%0.82478%0.779SS**  trans-159.7157.7163.1-89.7-57.8000115.1
235H41.3Very low40.6Very low175 Ų175147.2 Ų147.281%0.8178%0.781SS**  trans71.9105.4154.8-92.1-70.6000121.7
236S34.4Very low40.5Very low112 Ų112147.3 Ų147.378%0.78378%0.781SS**  trans-55.7142.6138.5-36.30000111.2
237R37.6Very low40.5Very low203 Ų203142.3 Ų142.377%0.76677%0.773SS**  trans-152.1133.9148.8-173166.3-179.8161.8-2.5110.7E239R237-E239 IonicContact CZ-OE2 3.12Å; R237-E239 IonicContact NE-OE2 2.77Å; R237-E239 PolarHBondContact NE-OE2 2.58Å; R237-E239 IonicContact NH2-OE1 3.8Å; R237-E239 IonicContact NH2-OE2 2.65Å; R237-E239 PolarHBondContact NH2-OE2 3.32Å
238E35.1Very low40.7Very low180 Ų180149.4 Ų149.484%0.84179%0.789SS**  trans-93.6132.4167.9-61.9159.8-142.200108.1
239E40.6Very low40.8Very low138 Ų138146.9 Ų146.965%0.64579%0.79SS**  trans-170.1111.8153.6-113162.112500114.2R237R237-E239 IonicContact CZ-OE2 3.12Å; R237-E239 IonicContact NE-OE2 2.77Å; R237-E239 PolarHBondContact NE-OE2 2.58Å; R237-E239 IonicContact NH2-OE1 3.8Å; R237-E239 IonicContact NH2-OE2 2.65Å; R237-E239 PolarHBondContact NH2-OE2 3.32Å
240S43Very low40.7Very low120 Ų120145 Ų14584%0.83979%0.788SS**  26.9107.2126.5-51.80000120.6
241A43.9Very low41Very low108 Ų108149 Ų14989%0.89379%0.794SS**  trans-152.8115.8151.600000112.7
242S43.3Very low41.4Very low107 Ų107145.7 Ų145.775%0.74879%0.791SS**  trans-76.5143.7-170.546.80000117
243K45.5Very low41.5Very low204 Ų204146 Ų14689%0.88780%0.795SS**  trans-174.494144.5-106.4163.3-177.9174.10109.3
244V42.9Very low41.9Very low110 Ų110142.2 Ų142.267%0.66779%0.79SS**  60.593.679.4-174.60000112.8
245F41.8Very low42.3Very low191 Ų191143.9 Ų143.984%0.83880%0.795SS**  -167.9146.2108.7-107.3-71000112.2
246S43.1Very low42.3Very low89 Ų89142.4 Ų142.462%0.62279%0.793SS**  trans-8.4159.8164.2-64.60000121.8
247D42.8Very low42.8Very low136 Ų136149 Ų14973%0.72780%0.801SS**  cis169.7122.2-17.7-94.7-54.4000103.8
248H43.3Very low42.9Very low210 Ų210145.2 Ų145.297%0.97280%0.796SS**  trans-164115.9153.2-104.6-60.2000109.1
249A48.8Very low43.2Very low104 Ų104145.3 Ų145.386%0.8679%0.794SS**  trans-112.7156.8-168.800000113.4
250G43.7Very low43.2Very low63 Ų63143.3 Ų143.365%0.64980%0.795SS**  trans100.2141.8166.500000115.1
251Y44.7Very low43.2Very low218 Ų218144.8 Ų144.886%0.85579%0.789SS**  cis-153.7149.6-6.6-98.8-82.9000109.4
252L46.5Very low43.1Very low160 Ų160149.6 Ų149.684%0.83879%0.785SS**  trans28.9116.8152.3-58.9163.2000117.2
253G41.3Very low42.9Very low81 Ų81152.5 Ų152.584%0.83579%0.792SS**  89.9145.46000000110.3
254G44.1Very low42.5Very low68 Ų68149.1 Ų149.170%0.70179%0.794SS**  cis159.8141.8-1.300000109
255R41.6Very low42.3Very low245 Ų245147.2 Ų147.293%0.92580%0.796SS**  trans167.2123.8157.3-98.4168.4-156.5-151.74.2110.8
256D40.8Very low41.8Very low143 Ų143146 Ų14677%0.76580%0.798SS**  trans-75.4160.4174-40.1-91.3000111.2
257R44.3Very low41.5Very low251 Ų251147.9 Ų147.995%0.94781%0.812SS**  trans-161.8134.1135.1-111.5172.4-154.9-1633.3112.2
258D40.8Very low41.1Very low124 Ų124151.7 Ų151.766%0.66382%0.817SS**  trans-86.6164.3-165.6-77.3-72.6000115.4
259F40Very low40.9Very low181 Ų181151 Ų15179%0.79481%0.806SS**  trans41.1102.2142.3-75-115.5000117.1
260S42Very low40.2Very low97 Ų97151.2 Ų151.268%0.67879%0.793SS**  75.8120.777.274.20000115
261E42.7Very low40.3Very low151 Ų151155.3 Ų155.371%0.70681%0.805SS**  trans178.2-177.2138.9-101.9-179.717300110.6
262Y40.1Very low39.9Very low208 Ų208155.9 Ų155.982%0.81681%0.808SS**  trans74.791.4169.7-54.9-69.3000118.4
263L39.5Very low39.5Very low169 Ų169159 Ų15989%0.88581%0.809SS**  trans-65.5167.2158.2-69158.3000112.4
264S36.9Very low39.4Very low132 Ų132160.6 Ų160.692%0.92381%0.806SS**  trans76.8145160.9-157.30000117.4
265G38.8Very low39Very low70 Ų70167.4 Ų167.472%0.72281%0.813SS**  trans141.684.9175.700000114.5
266N32.5Very low38.9Very low165 Ų165159.2 Ų159.288%0.88280%0.804SS**  trans-72.7144.8164.2-74.3-29.7000110.3
267S37.1Very low38.9Very low129 Ų129162.3 Ų162.390%0.90281%0.805SS**  175.2-177.4118.853.50000111.8
268Y33.1Very low38.6Very low216 Ų216157.7 Ų157.785%0.84779%0.792SS**  trans-141.5131.3-163.8-179.4-90000106.9
269R40.5Very low38.6Very low196 Ų196159.2 Ų159.274%0.7480%0.795SS**  trans165.9152.9139.2-89.7-162.779.5127.513.8114.2
270D34.2Very low38.3Very low108 Ų108158.3 Ų158.358%0.57879%0.793SS**  trans45.7121.8151.8-53.7-20.2000122.7
271T44.3Very low38.2Very low149 Ų149157.8 Ų157.891%0.91480%0.795SS**  -146.7117.5119.8-24.20000110.8
272Y36Very low38.4Very low231 Ų231155.9 Ų155.991%0.90680%0.796SS**  trans-125.7106.8178.9-134.3-81.7000108.6
273R38.6Very low38.4Very low226 Ų226151.5 Ų151.585%0.85380%0.795SS**  trans171.4145.6169.4-94.8151.9-168.1-115.95105.7
274S38.7Very low38.7Very low113 Ų113147.7 Ų147.779%0.7979%0.789SS**  cis-145.4176.124.4-161.10000113.2
275Y37Very low38.8Very low212 Ų212153.6 Ų153.683%0.83179%0.791SS**  trans-83.1163.9-162.8-56.8-98.3000116.2
276G39.4Very low38.7Very low73 Ų73154.4 Ų154.475%0.75380%0.799SS**  trans139.171.8169.200000113.7
277R40.4Very low39.1Very low207 Ų207150.4 Ų150.478%0.78180%0.797SS**  81.8116.762.5-154.4-170.8-164.7-149.92112.8
278F38.5Very low39.1Very low154 Ų154151.6 Ų151.668%0.67579%0.793SS**  trans72.9154.7168.9-54.9-42.1000118.6
279H39.6Very low39.4Very low156 Ų156147.4 Ų147.472%0.72279%0.785SS**  cis-165.3-178.6-39.6-136.8-116000109.2
280E35.1Very low39.3Very low162 Ų162148.2 Ų148.276%0.75779%0.788SS**  trans65.5152.8168.1-109.559.2-15200121.3
281A38.6Very low39.3Very low87 Ų87153.5 Ų153.572%0.71980%0.802SS**  trans-148.1-158.9174.500000106.1
282P48.1Very low39.1Very low110 Ų110152.6 Ų152.671%0.71479%0.791SS**  cis-136.9-167-10.342.9-24.3000114.1
283S40.4Very low39.5Very low116 Ų116148.7 Ų148.781%0.81179%0.786SS**  trans59.7132.9151.4-600000119.6
284A44.9Very low39.6Very low90 Ų90149 Ų14974%0.74479%0.789SS**  -175.716152.500000114.1
285R39.8Very low39.7Very low255 Ų255148.6 Ų148.696%0.96279%0.786SS**  trans29125.5148.9-64179177178.4-2.1121.8
286G36.5Very low39.7Very low88 Ų88146 Ų14691%0.90779%0.787SS**  trans118.6141.7137.200000116.7
287G39.2Very low39.7Very low80 Ų80147.7 Ų147.783%0.82579%0.787SS**  trans139.197.7170.700000115
288N38.2Very low39.9Very low155 Ų155145.7 Ų145.783%0.82979%0.787SS**  trans-90.3142.2163.4-72.1-21.4000109.7
289N39.9Very low40.2Very low127 Ų127145 Ų14568%0.67979%0.79SS**  trans175.3127.3138.5-90.4-19.8000110.2
290R37.3Very low40.4Very low214 Ų214140.4 Ų140.481%0.80879%0.785SS**  71.8117.692-64.4178.2-167.5-166.1-0.2115
291Y35Very low40.8Very low218 Ų218144.5 Ų144.586%0.85580%0.795SS**  trans-175.5137.9158-80.3-59.5000104.8
292D40.2Very low41.1Very low130 Ų130144.2 Ų144.270%0.69580%0.801SS**  cis-147.5156.7-2.4-95.8-55.7000109.6
293D43.2Very low40.7Very low149 Ų149142.8 Ų142.880%0.79781%0.806SS**  trans-80.2151168.1-74.8-83.2000111.9
294Y41.8Very low40.8Very low232 Ų232149.7 Ų149.791%0.9181%0.814SS**  trans-137.9112.2163.8-99.1-89.9000110.5
295S39.6Very low40.6Very low106 Ų106148.9 Ų148.974%0.74181%0.814SS**  trans-97.6130.4179.1-56.20000111.7
296N38.9Very low40.7Very low158 Ų158145.1 Ų145.185%0.84581%0.808SS**  trans-166.9114.5146.1-95.9-37.4000106.9
297S38.9Very low41.3Very low108 Ų108145.7 Ų145.776%0.75580%0.795SS**  85.59166.5178.70000112
298Q43.2Very low41.3Very low165 Ų165153.3 Ų153.377%0.77180%0.801SS**  trans-155.1142.4141-163.1150.74.700111.8
299D45.8Very low41.2Very low140 Ų140153.7 Ų153.775%0.74980%0.801SS**  trans4.4149.6156.8-38.6-31.4000119.8
300G44.5Very low41.2Very low59 Ų59152.3 Ų152.361%0.60880%0.802SS**  cis152.4161.2400000111.1
301Y43.4Very low41.3Very low247 Ų247148.4 Ų148.497%0.96980%0.797SS**  trans66.8152.9-178.7-53.5-81000116.9
302G43.6Very low41.5Very low82 Ų82148.8 Ų148.885%0.84580%0.797SS**  trans-153.9169.5176.400000111.5
303G41Very low41.6Very low80 Ų80147.5 Ų147.583%0.82580%0.798SS**  trans-174143.6178.400000110.8
304R42.1Very low41.5Very low261 Ų261146.5 Ų146.599%0.98579%0.793SS**  trans-99.5149.4170.9-60.1-169.2-120-131.53.8109.3
305G40.4Very low41.6Very low72 Ų72141.6 Ų141.674%0.74278%0.78SS**  trans170.487.3170.900000114.6
306E42Very low41.6Very low176 Ų176146.9 Ų146.982%0.82279%0.786SS**  trans40.9147.8148.5-59.2-53.99400123.5
307P48.3Very low41.7Very low100 Ų100143.9 Ų143.965%0.64978%0.777SS**  trans-100.4152.2-174.638.9-34.2000114.8
308Y39.8Very low41.8Very low241 Ų241144 Ų14495%0.94578%0.778SS**  trans-140.1153.1158.5-86.9-76.8000112.3
309I36.9Very low41.8Very low162 Ų162142.5 Ų142.583%0.83178%0.775SS**  trans-109.6133.7-166.2-61.3160.6000111.3
310S40.2Very low41.7Very low98 Ų98146 Ų14669%0.68578%0.78SS**  trans-164.6132.5145.3-127.50000114.8
311N39Very low41.5Very low132 Ų132151.9 Ų151.971%0.70679%0.791SS**  trans43125.3132.6-70.5-33.3000119.4
312R38.6Very low41.4Very low227 Ų227151.3 Ų151.386%0.85779%0.787SS**  cis-156.5171.724-91.7137.8175.4178.3-2.6107.7
313S42.6Very low41.6Very low102 Ų102153 Ų15371%0.71379%0.786SS**  cis-171.3156.2-3.137.50000105.8
314N40.9Very low41.7Very low129 Ų129152.8 Ų152.869%0.6978%0.783SS**  cis-145.71548.7-116.519.4000108
315I43.8Very low41.8Very low128 Ų128152.3 Ų152.366%0.65678%0.782SS**  55.392.281.9-51.9-177.8000111.2
316Y39.6Very low42.1Very low218 Ų218156.5 Ų156.586%0.85578%0.782SS**  72.714393-94.9-100.9000112.9
317S41.1Very low41.9Very low95 Ų95155.6 Ų155.666%0.66478%0.778SS**  cis-136.7154.29.6-500000112
318S40.6Very low41.9Very low109 Ų109157.9 Ų157.976%0.76279%0.789SS**  trans-97.5126.915053.60000108.4
319D44Very low42.7Very low134 Ų134153.8 Ų153.872%0.71778%0.783SS**  trans-159.9134.2161.8-96.8-41.1000113.3
320Y43.1Very low44.1Very low215 Ų215151.5 Ų151.584%0.84378%0.779SS**  trans45.9142.2156.2-76.5-87.5000124.7
321E41Very low45.3Very low182 Ų182152.4 Ų152.485%0.8578%0.783SS**  trans-63.4156.1162.4-43.3-179.514100111.9
322R41.4Very low46.2Very low234 Ų234151.5 Ų151.588%0.88378%0.784SS**  -179.3157.4106.4-154.1167.7-168.5-167.43.8111.8
323S47.4Very low47.1Very low119 Ų119149 Ų14983%0.83279%0.785SS**  trans68.4125.8171.475.30000115.4
324G43.5Very low47.3Very low74 Ų74151.3 Ų151.376%0.76379%0.79SS**  trans-110164.3178.200000112.5
325R43.1Very low47.3Very low251 Ų251155.4 Ų155.495%0.94780%0.796SS**  trans-150.8167.9158.5-107.4168.6-170.1-165.50.9109.5
326Q47.4Very low47.6Very low160 Ų160157.3 Ų157.375%0.74880%0.802SS**  trans-83.2145-155.4-70.3170.2-89.400115.3
327E38.5Very low47.6Very low158 Ų158155.7 Ų155.774%0.73880%0.796SS**  trans43.2108.2130.5-57.3162.1-116.200119.7
328V48.2Very low47.7Very low147 Ų147160 Ų16089%0.89180%0.803SS**  trans-139.2124.8133.5-176.70000108.6
329L56.9Low47.8Very low155 Ų155160.2 Ų160.281%0.81280%0.795SS**PPolyproline II helixtrans-98.3149.5167.7-72.3172.5000110
330P64.4Low47.9Very low115 Ų115163 Ų16375%0.74780%0.796SS**PPolyproline II helixtrans-69.8137.6176.129.2-34.2000111.2
331P66.6Low48Very low117 Ų117160.4 Ų160.476%0.7679%0.791SS**PPolyproline II helixtrans-76.5144.3-175.330.3-35.4000112.9
332P57.3Low48Very low113 Ų113155.3 Ų155.373%0.73479%0.787SS**PPolyproline II helixtrans-74.5154.8164.633.5-33.9000111
333I57.4Low47.8Very low173 Ų173156.2 Ų156.289%0.88779%0.791SS**  trans-95.3115.8172.4-59.4174000107.8
334D47.8Very low47.6Very low151 Ų151159.1 Ų159.181%0.80779%0.791SS**PPolyproline II helixtrans-77.9161-177.3-104-50000114.3
335R41.1Very low47.7Very low215 Ų215162.6 Ų162.681%0.81179%0.787SS**PPolyproline II helixtrans-96.1119.3171.2-76.7166.8154.5162.8-10.2109.6
336E48.7Very low47.5Very low169 Ų169160.6 Ų160.679%0.7978%0.78SS**PPolyproline II helixtrans-89.5128.4153.1-89.6-168.3135.200111
337Y40.2Very low47.1Very low184 Ų184156.5 Ų156.572%0.72278%0.781SS**PPolyproline II helixtrans-89.5131.4156.9-91.7-115.2000107.4
338F44.1Very low47.5Very low186 Ų186158.1 Ų158.182%0.81679%0.788SS**  trans-124.3119.6154.9-97.9-84.2000108.9
339D42.3Very low47.4Very low113 Ų113156.3 Ų156.360%0.60478%0.782SS**  trans-108.3150.7-174.2-130.8-58000110.1
340R44.6Very low47.7Very low193 Ų193154.9 Ų154.973%0.72878%0.782SS**  trans61.1130157.3-77.4166.9-176.6-101.95.6123.1
341E45.3Very low47.2Very low160 Ų160157.9 Ų157.975%0.74878%0.783SS**  trans68.6122.2130.7-65.8170.7-129.300120
342G41.5Very low46.1Very low74 Ų74159.5 Ų159.576%0.76379%0.785SS**  trans169.165.416500000119.7
343R38.5Very low45.6Very low253 Ų253158 Ų15896%0.95579%0.79SS**  trans68.5150.7149-170.5175.6-80.4-146.8-2119
344Q42.2Very low45.1Very low180 Ų180157.8 Ų157.884%0.84179%0.79SS**  trans-79.7152.1175.4-55.4150.3-0.600111.1
345E44.5Very low44.9Very low147 Ų147161.8 Ų161.869%0.68780%0.795SS**  trans-149.5163.6141-105.4-63.541.200111.2
346R40.6Very low45.1Very low209 Ų209157.1 Ų157.179%0.78980%0.796SS**  trans-82.2147-159.8-73.7153.5-79.4-165.2-1.3115.6
347G38.5Very low45.3Very low74 Ų74153.1 Ų153.176%0.76379%0.792SS**  trans-70.4-177.6-17000000118.4
348H46.3Very low45.6Very low192 Ų192149.2 Ų149.289%0.88979%0.791SS**  trans-144.7146.4173.5-103.155.5000109.5
349S46.2Very low45.4Very low110 Ų110152 Ų15277%0.76980%0.796SS**  trans-131.9123.2-175.4-57.20000112.2
350P62.6Low45.8Very low124 Ų124153.3 Ų153.381%0.80580%0.799SS**  trans-93.2115152.84.216.2000108
351K55Low45.7Very low179 Ų179149.8 Ų149.878%0.77880%0.804SS**  68.6102.967.5-68.6-162174.1-172.20114.5
352D44.4Very low45.7Very low151 Ų151151.5 Ų151.581%0.80781%0.805SS**  62.698.7129.7-44.2-37.8000118.5
353G46Very low45.6Very low81 Ų81153.5 Ų153.584%0.83581%0.807SS**  trans-145.178.7170.600000111.1
354L46.8Very low46.3Very low169 Ų169146 Ų14689%0.88579%0.793SS**  trans-71.7125.7177.6-70.9167.2000110.9
355Y43.4Very low46.3Very low234 Ų234144.1 Ų144.192%0.91879%0.789SS**  trans-146.9112.4156.2-127.9-87.6000111.3
356S46.2Very low46.8Very low117 Ų117143.8 Ų143.882%0.81880%0.797SS**  trans-118111.4-178.154.70000110.3
357A52.4Low47.1Very low85 Ų85142.3 Ų142.370%0.70280%0.796SS**  trans-148.4128.6172.900000112.7
358S45.8Very low47.7Very low102 Ų102145.8 Ų145.871%0.71380%0.796SS**  trans39.4117.6148.7-54.50000121.4
359R40.3Very low47.9Very low245 Ų245148.2 Ų148.293%0.92580%0.798SS**  trans-74.1122.4148.8-70.8159.558.4-171.3-0.3108.6
360E50.2Low47.7Very low141 Ų141146.3 Ų146.366%0.65980%0.795SS**  trans-127.3142.8164.4-78.1-171.37700112.1Y362E360-Y362 HydrophobicContact CB-CD2 4.46Å; E360-Y362 HydrophobicContact CB-CE2 4.04Å
361S42.6Very low47.1Very low118 Ų118147.4 Ų147.483%0.82579%0.793SS**  trans-103.395.5-164.3-61.30000111.9S363S361-S363 PolarHBondContact O-N 3.26Å
362Y45.1Very low47Very low196 Ų196144.5 Ų144.577%0.76979%0.792SS**  trans-94.574.3178.2-79-84.7000113.6E360 S364E360-Y362 HydrophobicContact CB-CD2 4.46Å; E360-Y362 HydrophobicContact CB-CE2 4.04Å; Y362-S364 PolarHBondContact O-N 3.29Å
363S39.7Very low46.8Very low116 Ų116149.2 Ų149.281%0.81180%0.799SS**  trans-85.585.7161.3173.90000109.6S361S361-S363 PolarHBondContact O-N 3.26Å
364S53.7Low47Very low96 Ų96156.7 Ų156.767%0.67180%0.802SS**  trans-154.990.6174.4-840000114.8Y362Y362-S364 PolarHBondContact O-N 3.29Å
365N42.7Very low47.2Very low140 Ų140153.9 Ų153.975%0.74980%0.797SS**  41.883.5123.5-166.820000118.5
366T53.9Low47.3Very low140 Ų140155.5 Ų155.586%0.85980%0.801SS**  trans-11699.816039.70000111.5
367K47.6Very low47.8Very low178 Ų178160.9 Ų160.977%0.77480%0.803SS**  trans-66139.7162.9-63.2170.3179.5171.40109.5
368I51.8Low47.9Very low148 Ų148166.2 Ų166.276%0.75981%0.811SS**  trans-178160.8146.7-95.3149.3000107
369W49Very low48.1Very low242 Ų242170.7 Ų170.792%0.91782%0.821SS**  trans67.469.1-171.7-57110.6000115.9
370G42Very low49Very low70 Ų70170.7 Ų170.772%0.72284%0.836SS**  trans-93.1136.116100000112.1
371I51.5Low49Very low147 Ų147172.2 Ų172.275%0.75485%0.845SS**  trans-151.4108.7150.5-85.5139.5000106
372P51Low49.3Very low118 Ų118175.1 Ų175.177%0.76685%0.846SS**  trans-97.3113.9175.732.5-27.6000111.5R374P372-R374 VanDerWaalsContact C-N 3.33Å; P372-R374 PolarHBondContact O-N 2.79Å
373W41.9Very low49.5Very low251 Ų251173.9 Ų173.995%0.95185%0.851SS**  trans-71.981.7172.2-96.631.9000111.9
374R48.8Very low50.1Low238 Ų238177.3 Ų177.390%0.89885%0.853SS**  trans-147.785.3170.3-79.9-171.6170.4-112.52.8112.6P372P372-R374 VanDerWaalsContact C-N 3.33Å; P372-R374 PolarHBondContact O-N 2.79Å
375S50.9Low49.9Very low110 Ų110182.4 Ų182.477%0.76986%0.864SS**  trans178.5102.9139.6-172.40000110.8
376W45.8Very low50.4Low268 Ų268185.2 Ų185.2100%1.01587%0.872SS**  trans-14987.8162.2-105.379.9000107.6
377R56.8Low50.1Low229 Ų229188.4 Ų188.486%0.86487%0.873SS**  trans-154.1115.3175.8-156.3179.3-151.1-128.84.4111.4
378K54.2Low50.3Low197 Ų197189.2 Ų189.286%0.85788%0.881SS**  trans55.8100.2170.6-71.5-166.5166.6-158.80117.5
379Q51.7Low50.2Low197 Ų197192.7 Ų192.792%0.92189%0.891SS**  trans-153.9100.6133.6-124.5173.2-4.300110.1
380I58.8Low50.3Low245 Ų245188.2 Ų188.2100%1.25689%0.888SS**  trans173.80161.1-89.5157.6000103.9

Retrieved 380 of 380 residues in 306.1 ms (Link to these results)