A0A060CXE4_MAIZE Loading...

MADS transcription factor

AlphaFold DB , UniProt , Accession A0A060CXE4, Species MAIZE (Zea mays, Maize), Gene MADS57, Length 316 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
1M40.4Very low73.2Confident227 Ų227166.5 Ų166.5100%1.11883%0.825SS**  0108.30-64.1-67.4-178.400109.2R3M1-R3 PolarHBondContact O-N 3.26Å
2P54.3Low74.7Confident132 Ų132168.5 Ų168.586%0.85782%0.817SS**  trans-64.1121.5166.1-3.518.1000107.2S4P2-S4 PolarHBondContact O-N 3.49Å
3R65.7Low76Confident233 Ų233159.3 Ų159.388%0.87977%0.773SS**  trans-59.7108.9171-75.8-177.3174.1121.6-2.8107M1 R5M1-R3 PolarHBondContact O-N 3.26Å; R3-R5 VanDerWaalsContact C-N 3.29Å; R3-R5 PolarHBondContact O-N 2.89Å
4S59.4Low77.2Confident122 Ų122156.6 Ų156.685%0.85377%0.77SS**  trans-60.297.4168.8-176.70000107P2 G6P2-S4 PolarHBondContact O-N 3.49Å; S4-G6 PolarHBondContact O-N 3.28Å
5R71.6Confident78.2Confident216 Ų216153.5 Ų153.582%0.81575%0.753SS**  trans-75.8113.7171.8-82.7-175.6-79.9171-4.2105.7R3R3-R5 VanDerWaalsContact C-N 3.29Å; R3-R5 PolarHBondContact O-N 2.89Å
6G82.3Confident79.1Confident57 Ų57149.8 Ų149.859%0.58874%0.738SS**PPolyproline II helixtrans-52.7152.4167.800000110.6S4 L8S4-G6 PolarHBondContact O-N 3.28Å; G6-L8 PolarHBondContact O-N 2.8Å; G6-L8 VanDerWaalsContact O-N 3.12Å
7K83.5Confident79.9Confident219 Ų219144.9 Ų144.995%0.95273%0.727SS**PPolyproline II helixtrans-52.3120176.7-65.2173.9-179170.70109.1
8L83.8Confident80.7Confident127 Ų127140.3 Ų140.367%0.66571%0.711SS**PPolyproline II helixtrans-78125.9176.3-65.5175.7000109G6 I10G6-L8 PolarHBondContact O-N 2.8Å; G6-L8 VanDerWaalsContact O-N 3.12Å; L8-I10 PolarHBondContact O-N 2.65Å
9K87Confident81.4Confident177 Ų177136.1 Ų136.177%0.7769%0.685SS**PPolyproline II helixtrans-67.6120.2170-67.9-178.5179.9179.60108.8Q11K9-Q11 PolarHBondContact O-N 2.76Å; K9-Q11 VanDerWaalsContact O-N 3.17Å
10I86.6Confident81.9Confident170 Ų170132.2 Ų132.287%0.87267%0.666SS**  trans-84.787.2176.6-55.4177.9000107.7L8L8-I10 PolarHBondContact O-N 2.65Å
11Q90.4Very high82.4Confident151 Ų151127.9 Ų127.971%0.70665%0.651SS**  trans-137.8161.7178.4-69.2-179.5-22.500110K9 I13K9-Q11 PolarHBondContact O-N 2.76Å; K9-Q11 VanDerWaalsContact O-N 3.17Å; Q11-I13 PolarHBondContact O-N 2.94Å
12W91.3Very high84.9Confident191 Ų191119 Ų11972%0.72361%0.61SS**  trans-61.2128.5172.2-179.1-106.1000110.5V14 R19W12-V14 PolarHBondContact O-N 2.84Å; W12-R19 VanDerWaalsContact CZ2-CZ 3.48Å
13I91.3Very high86.8Confident49 Ų49115.3 Ų115.325%0.25158%0.58SS.*  trans-84.3109.3175.3-58.2172.5000107.4Q11 R19 T22Q11-I13 PolarHBondContact O-N 2.94Å; I13-R19 HydrophobicContact CB-CB 3.96Å; I13-R19 HydrophobicContact CB-CG 4.23Å; I13-R19 HydrophobicContact CG2-CB 3.97Å; I13-R19 WeakPolarHBondContact O-CD 3.4Å; I13-R19 PolarHBondContact O-NH1 3.32Å; I13-T22 HydrophobicContact CD1-CG2 3.98Å
14V93.1Very high88Confident121 Ų121112.2 Ų112.273%0.73357%0.569SS**  trans-61-49.1-178.6-177.70000110.9W12 N16 R19W12-V14 PolarHBondContact O-N 2.84Å; V14-N16 PolarHBondContact O-N 3.36Å; V14-R19 PolarHBondContact O-NH1 3.01Å
15E92.7Very high89.7Confident111 Ų111113.7 Ų113.752%0.51956%0.56SS.*  trans-67119-176.5179.548.6-131.300112.6A17 S18 R19E15-A17 PolarHBondContact O-N 2.95Å; E15-A17 PolarHBondContact OE1-N 3.05Å; E15-S18 PolarHBondContact O-N 3.17Å; E15-R19 WeakPolarHBondContact O-CB 3.27Å; E15-R19 PolarHBondContact O-N 3.32Å
16N92.6Very high90.8Very high94 Ų94110.2 Ų110.250%0.50355%0.547SS..Hα-helixtrans-63.3-44.4-172.5-71.4-16.4000112.5V14 R19 N20V14-N16 PolarHBondContact O-N 3.36Å; N16-R19 PolarHBondContact O-N 3.4Å; N16-R19 VanDerWaalsContact OD1-CZ 3.24Å; N16-R19 PolarHBondContact OD1-NH1 3.4Å; N16-R19 PolarHBondContact OD1-NH2 2.95Å; N16-N20 WeakPolarHBondContact O-CB 3.45Å; N16-N20 PolarHBondContact O-N 3.44Å
17A92.9Very high91.4Very high67 Ų67111.6 Ų111.655%0.55453%0.534SS*.Hα-helixtrans-64-45.6-17900000111.3E15 N20 A21E15-A17 PolarHBondContact O-N 2.95Å; E15-A17 PolarHBondContact OE1-N 3.05Å; A17-N20 PolarHBondContact O-N 3.46Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 2.92Å
18S93.3Very high91.9Very high62 Ų62104 Ų10443%0.43451%0.512SS..Hα-helixtrans-64.1-40.1176.6-67.10000112.4E15 T22E15-S18 PolarHBondContact O-N 3.17Å; S18-T22 VanDerWaalsContact O-CB 3.31Å; S18-T22 WeakPolarHBondContact O-CB 3.44Å; S18-T22 PolarHBondContact O-N 3.47Å; S18-T22 PolarHBondContact O-OG1 3.05Å
19R93.6Very high92.5Very high60 Ų60102 Ų10223%0.22651%0.505CS..Hα-helixtrans-62.9-47175.7-172.1170.564.8-112.63.5111.2W12 I13 V14 E15 N16 T22 F23W12-R19 VanDerWaalsContact CZ2-CZ 3.48Å; I13-R19 HydrophobicContact CB-CB 3.96Å; I13-R19 HydrophobicContact CB-CG 4.23Å; I13-R19 HydrophobicContact CG2-CB 3.97Å; I13-R19 WeakPolarHBondContact O-CD 3.4Å; I13-R19 PolarHBondContact O-NH1 3.32Å; V14-R19 PolarHBondContact O-NH1 3.01Å; E15-R19 WeakPolarHBondContact O-CB 3.27Å; E15-R19 PolarHBondContact O-N 3.32Å; N16-R19 PolarHBondContact O-N 3.4Å; N16-R19 VanDerWaalsContact OD1-CZ 3.24Å; N16-R19 PolarHBondContact OD1-NH1 3.4Å; N16-R19 PolarHBondContact OD1-NH2 2.95Å; R19-T22 PolarHBondContact O-N 2.92Å; R19-F23 WeakPolarHBondContact O-CB 3.41Å; R19-F23 PolarHBondContact O-N 3.47Å
20N92.3Very high93Very high57 Ų5797.7 Ų97.731%0.30549%0.49SS..Hα-helixtrans-65.9-41.8178.8-75.3-16.7000112.6N16 A17 T22 F23 R24N16-N20 WeakPolarHBondContact O-CB 3.45Å; N16-N20 PolarHBondContact O-N 3.44Å; A17-N20 PolarHBondContact O-N 3.46Å; N20-T22 VanDerWaalsContact C-N 3.33Å; N20-T22 PolarHBondContact O-N 3.25Å; N20-F23 PolarHBondContact O-N 2.93Å; N20-R24 WeakPolarHBondContact O-CG 3.49Å; N20-R24 PolarHBondContact O-N 3.3Å
21A93.4Very high93.5Very high43 Ų4391 Ų9136%0.35546%0.456SS..Hα-helixtrans-62.1-42174.500000111.6A17 K25A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 2.92Å; A21-K25 WeakPolarHBondContact O-CG 3.31Å; A21-K25 PolarHBondContact O-N 3.01Å; A21-K25 VanDerWaalsContact O-N 3.12Å
22T92.7Very high93.8Very high40 Ų4088.2 Ų88.225%0.24544%0.443CS..Hα-helixtrans-65.9-42.3176.3-59.30000111.5I13 S18 R19 N20 K25 R26I13-T22 HydrophobicContact CD1-CG2 3.98Å; S18-T22 VanDerWaalsContact O-CB 3.31Å; S18-T22 WeakPolarHBondContact O-CB 3.44Å; S18-T22 PolarHBondContact O-N 3.47Å; S18-T22 PolarHBondContact O-OG1 3.05Å; R19-T22 PolarHBondContact O-N 2.92Å; N20-T22 VanDerWaalsContact C-N 3.33Å; N20-T22 PolarHBondContact O-N 3.25Å; T22-K25 PolarHBondContact O-N 3.43Å; T22-R26 HydrophobicContact CG2-CG 4.15Å; T22-R26 VanDerWaalsContact CG2-NE 3.3Å; T22-R26 WeakPolarHBondContact O-CB 3.37Å; T22-R26 WeakPolarHBondContact O-CG 3.3Å; T22-R26 PolarHBondContact O-N 3.43Å
23F92.6Very high94.1Very high55 Ų5584.6 Ų84.624%0.24143%0.433CS..Hα-helixtrans-58.4-50.4175.2173.4-97.9000111.5R19 N20 K25 R26 R27 V49 Y50R19-F23 WeakPolarHBondContact O-CB 3.41Å; R19-F23 PolarHBondContact O-N 3.47Å; N20-F23 PolarHBondContact O-N 2.93Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.23Å; F23-R26 PolarHBondContact O-N 3.41Å; F23-R27 WeakPolarHBondContact O-CB 3.19Å; F23-R27 PolarHBondContact O-N 3.04Å; F23-V49 HydrophobicContact CE2-CG1 3.9Å; F23-V49 HydrophobicContact CZ-CG1 3.86Å; F23-Y50 WeakPolarHBondContact CZ-O 3.23Å
24R92.3Very high94.4Very high167 Ų16782.6 Ų82.663%0.6342%0.423SS*.Hα-helixtrans-57.8-46178.5-71.1176.6-173.9157.61.5111.9N20 A28N20-R24 WeakPolarHBondContact O-CG 3.49Å; N20-R24 PolarHBondContact O-N 3.3Å; R24-A28 PolarHBondContact O-N 3.41Å; R24-A28 VanDerWaalsContact O-N 3.1Å
25K93.6Very high94.6Very high154 Ų15480.8 Ų80.867%0.6741%0.405SS*.Hα-helixtrans-62.2-51.1176.8-72.9177.4-179.8178.10111.6A21 T22 F23 R27 A28 T29A21-K25 WeakPolarHBondContact O-CG 3.31Å; A21-K25 PolarHBondContact O-N 3.01Å; A21-K25 VanDerWaalsContact O-N 3.12Å; T22-K25 PolarHBondContact O-N 3.43Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.23Å; K25-R27 PolarHBondContact O-N 3.16Å; K25-A28 PolarHBondContact O-N 3.1Å; K25-T29 WeakPolarHBondContact O-CG2 3.44Å; K25-T29 PolarHBondContact O-N 3.49Å; K25-T29 PolarHBondContact O-OG1 3.04Å
26R95Very high94.8Very high143 Ų14379.1 Ų79.154%0.5440%0.397SS..Hα-helixtrans-63.2-41.7-179.3-73.3-177.1-174.5175.44.5112.1T22 F23 T29 L30T22-R26 HydrophobicContact CG2-CG 4.15Å; T22-R26 VanDerWaalsContact CG2-NE 3.3Å; T22-R26 WeakPolarHBondContact O-CB 3.37Å; T22-R26 WeakPolarHBondContact O-CG 3.3Å; T22-R26 PolarHBondContact O-N 3.43Å; F23-R26 PolarHBondContact O-N 3.41Å; R26-T29 WeakPolarHBondContact CA-OG1 3.39Å; R26-T29 PolarHBondContact O-N 2.91Å; R26-T29 PolarHBondContact O-OG1 3.32Å; R26-L30 VanDerWaalsContact O-CB 3.24Å; R26-L30 WeakPolarHBondContact O-CB 3.48Å; R26-L30 PolarHBondContact O-N 3.48Å
27R94.6Very high95.1Very high85 Ų8578.7 Ų78.732%0.32140%0.395SS..Hα-helixtrans-58.1-51175.8-177-178.474.7169.54.1111.1F23 K25 T29 L30 L31 V49 A59F23-R27 WeakPolarHBondContact O-CB 3.19Å; F23-R27 PolarHBondContact O-N 3.04Å; K25-R27 PolarHBondContact O-N 3.16Å; R27-T29 PolarHBondContact O-N 2.93Å; R27-L30 PolarHBondContact O-N 2.88Å; R27-L31 HydrophobicContact CG-CD1 4.31Å; R27-L31 WeakPolarHBondContact O-CG 3.45Å; R27-L31 PolarHBondContact O-N 3.48Å; R27-L31 VanDerWaalsContact O-N 3.1Å; R27-V49 HydrophobicContact CG-CB 4.18Å; R27-V49 HydrophobicContact CG-CG1 4.02Å; R27-V49 HydrophobicContact CG-CG2 4.47Å; R27-A59 HydrophobicContact CG-CB 4.34Å
28A94.6Very high95.3Very high60 Ų6077 Ų7750%0.49638%0.379SS..Hα-helixtrans-60.2-46.2177.900000111.6R24 K25 L30 L31 E32R24-A28 PolarHBondContact O-N 3.41Å; R24-A28 VanDerWaalsContact O-N 3.1Å; K25-A28 PolarHBondContact O-N 3.1Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.26Å; A28-L31 PolarHBondContact O-N 2.91Å; A28-E32 PolarHBondContact O-N 3.44Å; A28-E32 VanDerWaalsContact O-N 3.1Å
29T96.6Very high95.4Very high85 Ų8578.5 Ų78.552%0.52139%0.386SS..Hα-helixtrans-66.1-33.7178.455.50000113.2K25 R26 R27 K33K25-T29 WeakPolarHBondContact O-CG2 3.44Å; K25-T29 PolarHBondContact O-N 3.49Å; K25-T29 PolarHBondContact O-OG1 3.04Å; R26-T29 WeakPolarHBondContact CA-OG1 3.39Å; R26-T29 PolarHBondContact O-N 2.91Å; R26-T29 PolarHBondContact O-OG1 3.32Å; R27-T29 PolarHBondContact O-N 2.93Å; T29-K33 WeakPolarHBondContact O-CB 3.4Å; T29-K33 WeakPolarHBondContact O-CG 3.32Å; T29-K33 PolarHBondContact O-N 3.1Å
30L97.1Very high95.7Very high86 Ų8682.4 Ų82.445%0.4541%0.41SS..Hα-helixtrans-68-44179.2179.263.1000111R26 R27 A28 K33 A34 V47 V49R26-L30 VanDerWaalsContact O-CB 3.24Å; R26-L30 WeakPolarHBondContact O-CB 3.48Å; R26-L30 PolarHBondContact O-N 3.48Å; R27-L30 PolarHBondContact O-N 2.88Å; A28-L30 VanDerWaalsContact C-N 3.32Å; A28-L30 PolarHBondContact O-N 3.26Å; L30-K33 PolarHBondContact O-N 2.82Å; L30-A34 PolarHBondContact O-N 3.35Å; L30-V47 HydrophobicContact CD2-CG1 4.01Å; L30-V47 HydrophobicContact CG-CG1 4.14Å; L30-V49 HydrophobicContact CD2-CG2 4.02Å
31L96.4Very high95.9Very high29 Ų2983 Ų8315%0.15242%0.418CS..Hα-helixtrans-64.7-42.1177.3-64.3171.8000111.4R27 A28 K33 A34 K35 V47 A59 W61R27-L31 HydrophobicContact CG-CD1 4.31Å; R27-L31 WeakPolarHBondContact O-CG 3.45Å; R27-L31 PolarHBondContact O-N 3.48Å; R27-L31 VanDerWaalsContact O-N 3.1Å; A28-L31 PolarHBondContact O-N 2.91Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-A34 WeakPolarHBondContact O-CB 3.41Å; L31-A34 PolarHBondContact O-N 3.02Å; L31-K35 PolarHBondContact O-N 2.83Å; L31-V47 HydrophobicContact CD2-CB 4.33Å; L31-V47 HydrophobicContact CD2-CG1 4.12Å; L31-A59 HydrophobicContact CD1-CB 3.93Å; L31-W61 HydrophobicContact CB-CB 4.46Å; L31-W61 HydrophobicContact CD2-CB 3.71Å
32E97.6Very high96Very high93 Ų9390.1 Ų90.144%0.43544%0.441SS..Hα-helixtrans-62.2-40.6174.9-168.960.3-150.900111.6A28 A34 K35 E36A28-E32 PolarHBondContact O-N 3.44Å; A28-E32 VanDerWaalsContact O-N 3.1Å; E32-A34 PolarHBondContact O-N 3.47Å; E32-K35 WeakPolarHBondContact O-CB 3.49Å; E32-K35 PolarHBondContact O-N 3.37Å; E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 3.19Å
33K97.8Very high96.2Very high116 Ų11692.2 Ų92.250%0.50445%0.45SS..Hα-helixtrans-67.7-33.8176.4-69.7-67.3169.6-142.60113.2T29 L30 L31 K35 E36 L37T29-K33 WeakPolarHBondContact O-CB 3.4Å; T29-K33 WeakPolarHBondContact O-CG 3.32Å; T29-K33 PolarHBondContact O-N 3.1Å; L30-K33 PolarHBondContact O-N 2.82Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.27Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K33-E36 WeakPolarHBondContact CD-OE2 3.24Å; K33-E36 IonicContact NZ-OE1 2.56Å; K33-E36 PolarHBondContact NZ-OE1 3.3Å; K33-E36 IonicContact NZ-OE2 3.19Å; K33-E36 PolarHBondContact NZ-OE2 2.85Å; K33-E36 PolarHBondContact O-N 3.49Å; K33-L37 VanDerWaalsContact O-CB 3.31Å; K33-L37 WeakPolarHBondContact O-CB 3.38Å; K33-L37 PolarHBondContact O-N 3.37Å
34A97.2Very high96.3Very high6 Ų694.1 Ų94.15%0.0547%0.468CS..Hα-helixtrans-64.4-39.917300000111.7L30 L31 E32 L37 S38 V45 V47 W61L30-A34 PolarHBondContact O-N 3.35Å; L31-A34 WeakPolarHBondContact O-CB 3.41Å; L31-A34 PolarHBondContact O-N 3.02Å; E32-A34 PolarHBondContact O-N 3.47Å; A34-L37 PolarHBondContact O-N 3.1Å; A34-S38 WeakPolarHBondContact O-CB 3.32Å; A34-S38 PolarHBondContact O-N 3.12Å; A34-V45 HydrophobicContact CB-CG1 4.26Å; A34-V47 HydrophobicContact CB-CB 4.25Å; A34-V47 HydrophobicContact CB-CG2 3.58Å; A34-W61 HydrophobicContact CB-CB 4.44Å; A34-W61 HydrophobicContact CB-CG 4.25Å
35K97Very high96.4Very high84 Ų8487.3 Ų87.337%0.36545%0.445SS..Hα-helixtrans-62.6-49.8172.8176.6178.6178.7-166.70112.5L31 E32 K33 L37 S38 T39 W61L31-K35 PolarHBondContact O-N 2.83Å; E32-K35 WeakPolarHBondContact O-CB 3.49Å; E32-K35 PolarHBondContact O-N 3.37Å; K33-K35 VanDerWaalsContact C-N 3.33Å; K35-L37 VanDerWaalsContact C-N 3.31Å; K35-L37 PolarHBondContact O-N 3.12Å; K35-S38 PolarHBondContact O-N 3.4Å; K35-T39 WeakPolarHBondContact O-CB 3.32Å; K35-T39 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-OG1 2.92Å; K35-W61 VanDerWaalsContact CA-NE1 3.33Å; K35-W61 HydrophobicContact CB-CD2 4Å; K35-W61 VanDerWaalsContact CB-CE2 3.45Å; K35-W61 HydrophobicContact CB-CE3 4.5Å; K35-W61 HydrophobicContact CB-CH2 4.07Å; K35-W61 HydrophobicContact CB-CZ2 3.51Å; K35-W61 HydrophobicContact CD-CH2 3.58Å; K35-W61 HydrophobicContact CD-CZ2 3.81Å; K35-W61 HydrophobicContact CD-CZ3 4.09Å; K35-W61 HydrophobicContact CG-CH2 3.71Å; K35-W61 HydrophobicContact CG-CZ2 3.36Å; K35-W61 HydrophobicContact CG-CZ3 4.49Å
36E98.1Very high96.6Very high75 Ų7582 Ų8235%0.3543%0.425SS..Hα-helixtrans-56.2-47.1175.6-72.1176-149.200110.8E32 K33 T39 L40E32-E36 WeakPolarHBondContact O-CG 3.23Å; E32-E36 PolarHBondContact O-N 3.19Å; K33-E36 WeakPolarHBondContact CD-OE2 3.24Å; K33-E36 IonicContact NZ-OE1 2.56Å; K33-E36 PolarHBondContact NZ-OE1 3.3Å; K33-E36 IonicContact NZ-OE2 3.19Å; K33-E36 PolarHBondContact NZ-OE2 2.85Å; K33-E36 PolarHBondContact O-N 3.49Å; E36-T39 PolarHBondContact O-N 2.8Å; E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 VanDerWaalsContact O-CG 3.27Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.3Å
37L97.5Very high96.6Very high85 Ų8576.7 Ų76.745%0.44541%0.409SS..Hα-helixtrans-62.7-46.7-179.7-175.668.1000112.5K33 A34 K35 T39 L40 C41 V45K33-L37 VanDerWaalsContact O-CB 3.31Å; K33-L37 WeakPolarHBondContact O-CB 3.38Å; K33-L37 PolarHBondContact O-N 3.37Å; A34-L37 PolarHBondContact O-N 3.1Å; K35-L37 VanDerWaalsContact C-N 3.31Å; K35-L37 PolarHBondContact O-N 3.12Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 3.24Å; L37-L40 PolarHBondContact O-N 3.1Å; L37-C41 WeakPolarHBondContact O-CB 3.19Å; L37-C41 PolarHBondContact O-N 2.89Å; L37-V45 HydrophobicContact CD2-CG2 4.28Å; L37-V45 HydrophobicContact CG-CG2 4.41Å
38S97.1Very high96.6Very high32 Ų3275 Ų7522%0.22441%0.407CS..Hα-helixtrans-56.6-44.3175.8176.90000111.2A34 K35 K42 I43A34-S38 WeakPolarHBondContact O-CB 3.32Å; A34-S38 PolarHBondContact O-N 3.12Å; K35-S38 PolarHBondContact O-N 3.4Å; S38-K42 VanDerWaalsContact O-CA 3.23Å; S38-K42 WeakPolarHBondContact O-CA 3.4Å; S38-K42 PolarHBondContact O-N 3.48Å; S38-I43 WeakPolarHBondContact CA-O 3.4Å; S38-I43 PolarHBondContact O-N 3.27Å; S38-I43 PolarHBondContact OG-O 3.45Å
39T96.9Very high96.5Very high93 Ų9373.2 Ų73.257%0.57139%0.39SS*.Hα-helixtrans-69.7-47-178.2-52.90000112.3K35 E36 L37K35-T39 WeakPolarHBondContact O-CB 3.32Å; K35-T39 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-OG1 2.92Å; E36-T39 PolarHBondContact O-N 2.8Å; L37-T39 VanDerWaalsContact C-N 3.27Å; L37-T39 PolarHBondContact O-N 3.24Å
40L98.1Very high96.2Very high142 Ų14277.2 Ų77.274%0.74340%0.397SS*.Hα-helixtrans-68-44.3-176.2-72173.3000112E36 L37E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 VanDerWaalsContact O-CG 3.27Å; E36-L40 WeakPolarHBondContact O-CG 3.35Å; E36-L40 PolarHBondContact O-N 3.3Å; L37-L40 PolarHBondContact O-N 3.1Å
41C97.4Very high95.7Very high71 Ų7174.3 Ų74.348%0.4839%0.388SS..Hα-helixtrans-90.1-8.5-176.6-65.10000113L37 I43L37-C41 WeakPolarHBondContact O-CB 3.19Å; L37-C41 PolarHBondContact O-N 2.89Å; C41-I43 HydrophobicContact CB-CD1 3.97Å; C41-I43 HydrophobicContact CB-CG1 3.77Å; C41-I43 HydrophobicContact CB-CG2 4.44Å; C41-I43 PolarHBondContact O-N 3.27Å
42K96.6Very high95Very high192 Ų19277.1 Ų77.184%0.83541%0.408SS*.THydrogen-bonded Turntrans52.841.6-175.4-56.3179.3-1781750112.5S38S38-K42 VanDerWaalsContact O-CA 3.23Å; S38-K42 WeakPolarHBondContact O-CA 3.4Å; S38-K42 PolarHBondContact O-N 3.48Å
43I95.4Very high93.7Very high83 Ų8375.6 Ų75.643%0.42642%0.417SS..  trans-120146.9179.358.8174.7000110.7S38 C41 V45S38-I43 WeakPolarHBondContact CA-O 3.4Å; S38-I43 PolarHBondContact O-N 3.27Å; S38-I43 PolarHBondContact OG-O 3.45Å; C41-I43 HydrophobicContact CB-CD1 3.97Å; C41-I43 HydrophobicContact CB-CG1 3.77Å; C41-I43 HydrophobicContact CB-CG2 4.44Å; C41-I43 PolarHBondContact O-N 3.27Å; I43-V45 HydrophobicContact CD1-CG2 4.29Å; I43-V45 HydrophobicContact CG1-CG2 3.98Å; I43-V45 PolarHBondContact O-N 3.49Å
44P94.6Very high92.3Very high96 Ų9673.5 Ų73.562%0.62343%0.428SS*.  trans-68.1123173.428.5-33.4000110.1I70P44-I70 HydrophobicContact CB-CD1 4.03Å; P44-I70 HydrophobicContact CB-CG1 4.22Å; P44-I70 HydrophobicContact CB-CG2 3.97Å
45V95.9Very high90.6Very high24 Ų2481.1 Ų81.115%0.14547%0.468CS..  trans-123.7134.2177.3-178.40000108.5A34 L37 I43 V47 P62A34-V45 HydrophobicContact CB-CG1 4.26Å; L37-V45 HydrophobicContact CD2-CG2 4.28Å; L37-V45 HydrophobicContact CG-CG2 4.41Å; I43-V45 HydrophobicContact CD1-CG2 4.29Å; I43-V45 HydrophobicContact CG1-CG2 3.98Å; I43-V45 PolarHBondContact O-N 3.49Å; V45-V47 HydrophobicContact CG1-CG2 4.42Å; V45-P62 WeakPolarHBondContact O-CD 3.41Å
46V96Very high89.6Confident42 Ų4280.3 Ų80.326%0.25548%0.477SS..  trans-122.3130.8173.5177.80000109.5V48 W61 A67 I70 M71V46-V48 HydrophobicContact CG1-CG2 4Å; V46-W61 CarbonylContact C-O 3.59Å; V46-W61 VanDerWaalsContact CA-O 3.32Å; V46-W61 WeakPolarHBondContact CA-O 3.47Å; V46-A67 HydrophobicContact CG1-CB 3.78Å; V46-A67 HydrophobicContact CG2-CB 4.3Å; V46-I70 HydrophobicContact CG2-CB 3.57Å; V46-I70 HydrophobicContact CG2-CD1 3.83Å; V46-I70 HydrophobicContact CG2-CG1 4.3Å; V46-I70 HydrophobicContact CG2-CG2 3.52Å; V46-M71 HydrophobicContact CG1-CG 4.15Å; V46-M71 HydrophobicContact CG1-SD 4.18Å
47V95.8Very high88.9Confident31 Ų3185.3 Ų85.319%0.18850%0.5CS..EExtended strand (participates in β ladder)trans-128.4129.2169.5176.40000108.3L30 L31 A34 V45 V49 S60 W61L30-V47 HydrophobicContact CD2-CG1 4.01Å; L30-V47 HydrophobicContact CG-CG1 4.14Å; L31-V47 HydrophobicContact CD2-CB 4.33Å; L31-V47 HydrophobicContact CD2-CG1 4.12Å; A34-V47 HydrophobicContact CB-CB 4.25Å; A34-V47 HydrophobicContact CB-CG2 3.58Å; V45-V47 HydrophobicContact CG1-CG2 4.42Å; V47-V49 HydrophobicContact CG1-CG2 3.87Å; V47-S60 CarbonylContact O-C 3.58Å; V47-S60 VanDerWaalsContact O-CA 3.23Å; V47-S60 WeakPolarHBondContact O-CA 3.4Å; V47-W61 PolarHBondContact N-O 2.78Å; V47-W61 PolarHBondContact O-N 3.3Å
48V93.9Very high88.5Confident49 Ų4983 Ų8330%0.29749%0.491SS..EExtended strand (participates in β ladder)trans-124.5125.8175.3-1760000108.1V46 Y50 P58V46-V48 HydrophobicContact CG1-CG2 4Å; V48-Y50 HydrophobicContact CG1-CD2 4.42Å; V48-Y50 HydrophobicContact CG1-CE2 3.74Å; V48-P58 HydrophobicContact CG1-CB 3.84Å
49V93Very high88.3Confident23 Ų2382.5 Ų82.514%0.13949%0.489CS..EExtended strand (participates in β ladder)trans-124.2117.9-177.7-172.10000110.1F23 R27 L30 V47 A59F23-V49 HydrophobicContact CE2-CG1 3.9Å; F23-V49 HydrophobicContact CZ-CG1 3.86Å; R27-V49 HydrophobicContact CG-CB 4.18Å; R27-V49 HydrophobicContact CG-CG1 4.02Å; R27-V49 HydrophobicContact CG-CG2 4.47Å; L30-V49 HydrophobicContact CD2-CG2 4.02Å; V47-V49 HydrophobicContact CG1-CG2 3.87Å; V49-A59 PolarHBondContact N-O 3.44Å; V49-A59 PolarHBondContact O-N 3.07Å
50Y91.1Very high88.1Confident170 Ų17079.4 Ų79.467%0.66747%0.471SS*.PPolyproline II helixtrans-86.3133.9172.4-63.6-87.2000110.5F23 V48 P58F23-Y50 WeakPolarHBondContact CZ-O 3.23Å; V48-Y50 HydrophobicContact CG1-CD2 4.42Å; V48-Y50 HydrophobicContact CG1-CE2 3.74Å; Y50-P58 HydrophobicContact CD1-CB 3.9Å; Y50-P58 HydrophobicContact CE1-CB 3.7Å; Y50-P58 HydrophobicContact CE1-CG 4.05Å
51G86.3Confident88Confident24 Ų2476.4 Ų76.425%0.24745%0.449CS..PPolyproline II helixtrans-79.6161.117600000112.9G53G51-G53 PolarHBondContact O-N 2.88Å
52P81.5Confident87.9Confident88 Ų8873.5 Ų73.557%0.57143%0.43SS*.THydrogen-bonded Turntrans-60131167.826.6-32.2000109.5
53G71.3Confident87.7Confident62 Ų6271.7 Ų71.764%0.63942%0.424SS*.THydrogen-bonded Turntrans107.30.1172.700000116.7G51 N55G51-G53 PolarHBondContact O-N 2.88Å; G53-N55 PolarHBondContact O-N 2.93Å; G53-N55 PolarHBondContact O-ND2 2.74Å; G53-N55 PolarHBondContact O-OD1 2.84Å
54G68.6Low87.6Confident71 Ų7171 Ų7173%0.73242%0.421SS*.SBendtrans65.8-22.6169.300000117.2
55N60.8Low87.5Confident166 Ų16671.4 Ų71.489%0.88842%0.415SS*.  trans-93.5-2.1-167.2-61.4-21.6000113.9G53G53-N55 PolarHBondContact O-N 2.93Å; G53-N55 PolarHBondContact O-ND2 2.74Å; G53-N55 PolarHBondContact O-OD1 2.84Å
56A76.7Confident87.5Confident67 Ų6775.4 Ų75.455%0.55443%0.432SS*.SBendtrans-103.4142.117900000110.5
57E83.3Confident87.4Confident180 Ų18073.5 Ų73.584%0.84142%0.42SS*.PPolyproline II helixtrans-53.4137.1171.9-68-172159.200110.9A59E57-A59 PolarHBondContact O-N 3.49Å
58P89.2Confident87.4Confident37 Ų3776.1 Ų76.124%0.2443%0.429CS..PPolyproline II helixtrans-66.6136.5-179.127-33.1000110.5V48 Y50 S60V48-P58 HydrophobicContact CG1-CB 3.84Å; Y50-P58 HydrophobicContact CD1-CB 3.9Å; Y50-P58 HydrophobicContact CE1-CB 3.7Å; Y50-P58 HydrophobicContact CE1-CG 4.05Å; P58-S60 PolarHBondContact O-N 3.32Å
59A91.2Very high87.5Confident22 Ų2279.9 Ų79.918%0.18244%0.441CS..EExtended strand (participates in β ladder)trans-77.6123.9170.800000108.4R27 L31 V49 E57R27-A59 HydrophobicContact CG-CB 4.34Å; L31-A59 HydrophobicContact CD1-CB 3.93Å; V49-A59 PolarHBondContact N-O 3.44Å; V49-A59 PolarHBondContact O-N 3.07Å; E57-A59 PolarHBondContact O-N 3.49Å
60S93.8Very high87.7Confident27 Ų2780.5 Ų80.519%0.18944%0.444CS..EExtended strand (participates in β ladder)trans-124.8150.7-178.850.40000112V47 P58 P62 L64V47-S60 CarbonylContact O-C 3.58Å; V47-S60 VanDerWaalsContact O-CA 3.23Å; V47-S60 WeakPolarHBondContact O-CA 3.4Å; P58-S60 PolarHBondContact O-N 3.32Å; S60-P62 CarbonylContact C-O 3.16Å; S60-P62 PolarHBondContact OG-O 2.83Å; S60-L64 PolarHBondContact OG-N 3.39Å
61W95.6Very high87.8Confident79 Ų7976.3 Ų76.330%0.29943%0.431SS..EExtended strand (participates in β ladder)trans-128.9129.6163.6177.7-95.3000108.8L31 A34 K35 V46 V47L31-W61 HydrophobicContact CB-CB 4.46Å; L31-W61 HydrophobicContact CD2-CB 3.71Å; A34-W61 HydrophobicContact CB-CB 4.44Å; A34-W61 HydrophobicContact CB-CG 4.25Å; K35-W61 VanDerWaalsContact CA-NE1 3.33Å; K35-W61 HydrophobicContact CB-CD2 4Å; K35-W61 VanDerWaalsContact CB-CE2 3.45Å; K35-W61 HydrophobicContact CB-CE3 4.5Å; K35-W61 HydrophobicContact CB-CH2 4.07Å; K35-W61 HydrophobicContact CB-CZ2 3.51Å; K35-W61 HydrophobicContact CD-CH2 3.58Å; K35-W61 HydrophobicContact CD-CZ2 3.81Å; K35-W61 HydrophobicContact CD-CZ3 4.09Å; K35-W61 HydrophobicContact CG-CH2 3.71Å; K35-W61 HydrophobicContact CG-CZ2 3.36Å; K35-W61 HydrophobicContact CG-CZ3 4.49Å; V46-W61 CarbonylContact C-O 3.59Å; V46-W61 VanDerWaalsContact CA-O 3.32Å; V46-W61 WeakPolarHBondContact CA-O 3.47Å; V47-W61 PolarHBondContact N-O 2.78Å; V47-W61 PolarHBondContact O-N 3.3Å
62P95.2Very high88.3Confident10 Ų1081.1 Ų81.17%0.06545%0.447CS..SBendcis-65.9-161.3-10.531.9-37.9000111.8V45 S60 E66 I70V45-P62 WeakPolarHBondContact O-CD 3.41Å; S60-P62 CarbonylContact C-O 3.16Å; S60-P62 PolarHBondContact OG-O 2.83Å; P62-E66 HydrophobicContact CB-CB 4.22Å; P62-E66 HydrophobicContact CB-CG 4.29Å; P62-E66 VanDerWaalsContact CB-OE2 3.3Å; P62-E66 WeakPolarHBondContact CB-OE2 3.32Å; P62-E66 HydrophobicContact CG-CB 3.77Å; P62-E66 HydrophobicContact CG-CG 3.66Å; P62-I70 HydrophobicContact CG-CD1 4.09Å
63E93.1Very high88.9Confident155 Ų15584.5 Ų84.572%0.72445%0.453SS*.  trans-52.2146.5173.7-172.5172.3-165.300111.1E65 E66 A67E63-E65 PolarHBondContact O-N 3.35Å; E63-E66 PolarHBondContact O-N 2.96Å; E63-A67 PolarHBondContact O-N 3.39Å
64L92.1Very high90Very high69 Ų6986.4 Ų86.436%0.36144%0.442SS..Hα-helixtrans-51.4-38.4-169.1-176.662.3000113.3S60 A67 K68S60-L64 PolarHBondContact OG-N 3.39Å; L64-A67 PolarHBondContact O-N 2.94Å; L64-K68 WeakPolarHBondContact O-CB 3.48Å; L64-K68 VanDerWaalsContact O-CG 3.24Å; L64-K68 WeakPolarHBondContact O-CG 3.31Å; L64-K68 PolarHBondContact O-N 2.89Å
65E93.8Very high91.1Very high103 Ų10389.1 Ų89.148%0.48144%0.435SS..Hα-helixtrans-68.8-38.4178.8-67.7-53128.700113.3E63 K68 K69E63-E65 PolarHBondContact O-N 3.35Å; E65-K68 IonicContact OE1-NZ 2.65Å; E65-K68 PolarHBondContact OE1-NZ 2.67Å; E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.3Å
66E94.7Very high92.7Very high109 Ų10985.3 Ų85.351%0.50943%0.427SS..Hα-helixtrans-72.8-40174.8-173.1176.5-165.600111P62 E63 K68 K69 I70P62-E66 HydrophobicContact CB-CB 4.22Å; P62-E66 HydrophobicContact CB-CG 4.29Å; P62-E66 VanDerWaalsContact CB-OE2 3.3Å; P62-E66 WeakPolarHBondContact CB-OE2 3.32Å; P62-E66 HydrophobicContact CG-CB 3.77Å; P62-E66 HydrophobicContact CG-CG 3.66Å; E63-E66 PolarHBondContact O-N 2.96Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.48Å; E66-K69 WeakPolarHBondContact O-CB 3.26Å; E66-K69 PolarHBondContact O-N 2.98Å; E66-K69 VanDerWaalsContact O-N 3.16Å; E66-I70 HydrophobicContact CG-CD1 4.24Å; E66-I70 WeakPolarHBondContact O-CG1 3.39Å; E66-I70 PolarHBondContact O-N 2.93Å
67A95.5Very high93.4Very high1 Ų186.2 Ų86.21%0.00842%0.422CS..Hα-helixtrans-57-45.7173.900000111.4V46 E63 L64 K69 I70 M71V46-A67 HydrophobicContact CG1-CB 3.78Å; V46-A67 HydrophobicContact CG2-CB 4.3Å; E63-A67 PolarHBondContact O-N 3.39Å; L64-A67 PolarHBondContact O-N 2.94Å; A67-K69 PolarHBondContact O-N 3.36Å; A67-I70 PolarHBondContact O-N 3.3Å; A67-M71 WeakPolarHBondContact O-CB 3.24Å; A67-M71 VanDerWaalsContact O-CG 3.26Å; A67-M71 WeakPolarHBondContact O-CG 3.48Å; A67-M71 PolarHBondContact O-N 2.94Å
68K95.5Very high93.8Very high87 Ų8782 Ų8238%0.37841%0.41SS..Hα-helixtrans-57.2-45.5174.6-77.2169.7-176.1169.10112.2L64 E65 E66 I70 M71 Q72L64-K68 WeakPolarHBondContact O-CB 3.48Å; L64-K68 VanDerWaalsContact O-CG 3.24Å; L64-K68 WeakPolarHBondContact O-CG 3.31Å; L64-K68 PolarHBondContact O-N 2.89Å; E65-K68 IonicContact OE1-NZ 2.65Å; E65-K68 PolarHBondContact OE1-NZ 2.67Å; E66-K68 VanDerWaalsContact C-N 3.32Å; E66-K68 PolarHBondContact O-N 3.48Å; K68-I70 VanDerWaalsContact C-N 3.35Å; K68-I70 PolarHBondContact O-N 3.18Å; K68-M71 PolarHBondContact O-N 3.4Å; K68-Q72 VanDerWaalsContact O-CG 3.32Å; K68-Q72 WeakPolarHBondContact O-CG 3.42Å; K68-Q72 PolarHBondContact O-N 3.41Å
69K96.2Very high93.8Very high127 Ų12784.5 Ų84.555%0.55242%0.419SS*.Hα-helixtrans-61.1-42.9178.3-70.6171-173.8173.70111.8E65 E66 A67 Q72 K73E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.3Å; E66-K69 WeakPolarHBondContact O-CB 3.26Å; E66-K69 PolarHBondContact O-N 2.98Å; E66-K69 VanDerWaalsContact O-N 3.16Å; A67-K69 PolarHBondContact O-N 3.36Å; K69-Q72 PolarHBondContact O-N 3.19Å; K69-K73 WeakPolarHBondContact O-CG 3.12Å; K69-K73 PolarHBondContact O-N 3.44Å; K69-K73 VanDerWaalsContact O-N 3.1Å
70I95.9Very high93.6Very high36 Ų3687.2 Ų87.219%0.18544%0.441CS..Hα-helixtrans-66.9-42.3177.6-63164.7000110.4P44 V46 P62 E66 A67 K68 Q72 K73 Y74P44-I70 HydrophobicContact CB-CD1 4.03Å; P44-I70 HydrophobicContact CB-CG1 4.22Å; P44-I70 HydrophobicContact CB-CG2 3.97Å; V46-I70 HydrophobicContact CG2-CB 3.57Å; V46-I70 HydrophobicContact CG2-CD1 3.83Å; V46-I70 HydrophobicContact CG2-CG1 4.3Å; V46-I70 HydrophobicContact CG2-CG2 3.52Å; P62-I70 HydrophobicContact CG-CD1 4.09Å; E66-I70 HydrophobicContact CG-CD1 4.24Å; E66-I70 WeakPolarHBondContact O-CG1 3.39Å; E66-I70 PolarHBondContact O-N 2.93Å; A67-I70 PolarHBondContact O-N 3.3Å; K68-I70 VanDerWaalsContact C-N 3.35Å; K68-I70 PolarHBondContact O-N 3.18Å; I70-Q72 PolarHBondContact O-N 3Å; I70-K73 PolarHBondContact O-N 3Å; I70-Y74 PolarHBondContact O-N 3.22Å
71M94.8Very high93.2Very high83 Ų8388.7 Ų88.741%0.40945%0.451SS..Hα-helixtrans-62.1-41.6176.6-72.3174.767.100112.3V46 A67 K68 Y74 Q75V46-M71 HydrophobicContact CG1-CG 4.15Å; V46-M71 HydrophobicContact CG1-SD 4.18Å; A67-M71 WeakPolarHBondContact O-CB 3.24Å; A67-M71 VanDerWaalsContact O-CG 3.26Å; A67-M71 WeakPolarHBondContact O-CG 3.48Å; A67-M71 PolarHBondContact O-N 2.94Å; K68-M71 PolarHBondContact O-N 3.4Å; M71-Y74 WeakPolarHBondContact O-CB 3.47Å; M71-Y74 PolarHBondContact O-N 2.85Å; M71-Q75 WeakPolarHBondContact O-CG 3.42Å; M71-Q75 PolarHBondContact O-N 2.72Å
72Q96.1Very high92.8Very high124 Ų12486 Ų8658%0.57944%0.441SS*.Hα-helixtrans-61.9-45175.2-75.1171.7-7.800111.6K68 K69 I70 Y74 Q75 A76K68-Q72 VanDerWaalsContact O-CG 3.32Å; K68-Q72 WeakPolarHBondContact O-CG 3.42Å; K68-Q72 PolarHBondContact O-N 3.41Å; K69-Q72 PolarHBondContact O-N 3.19Å; I70-Q72 PolarHBondContact O-N 3Å; Q72-Y74 VanDerWaalsContact C-N 3.3Å; Q72-Y74 PolarHBondContact O-N 3.46Å; Q72-Q75 PolarHBondContact O-N 3.17Å; Q72-A76 PolarHBondContact O-N 3.39Å
73K94.7Very high92.2Very high160 Ų16090 Ų9070%0.69647%0.465SS*.Hα-helixtrans-59.3-42174-72.9178-179.8-178.20111.7K69 I70 A76K69-K73 WeakPolarHBondContact O-CG 3.12Å; K69-K73 PolarHBondContact O-N 3.44Å; K69-K73 VanDerWaalsContact O-N 3.1Å; I70-K73 PolarHBondContact O-N 3Å; K73-A76 PolarHBondContact O-N 3.4Å
74Y92.6Very high91.7Very high102 Ų10288.4 Ų88.440%0.447%0.467SS..Hα-helixtrans-63.7-43.7175.6177.4-100.6000111.9I70 M71 Q72 A76 L77 K82I70-Y74 PolarHBondContact O-N 3.22Å; M71-Y74 WeakPolarHBondContact O-CB 3.47Å; M71-Y74 PolarHBondContact O-N 2.85Å; Q72-Y74 VanDerWaalsContact C-N 3.3Å; Q72-Y74 PolarHBondContact O-N 3.46Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.36Å; Y74-L77 HydrophobicContact CD2-CD1 4.22Å; Y74-L77 WeakPolarHBondContact O-CB 3.32Å; Y74-L77 PolarHBondContact O-N 2.84Å; Y74-K82 HydrophobicContact CE1-CD 4.15Å; Y74-K82 HydrophobicContact CE2-CG 4.31Å; Y74-K82 WeakPolarHBondContact O-CE 3.34Å
75Q92.1Very high91.2Very high127 Ų12795.9 Ų95.959%0.59349%0.49SS*.Hα-helixtrans-63.2-35.1178.5-75.5176.9-1.100112.7M71 Q72 L77 K82M71-Q75 WeakPolarHBondContact O-CG 3.42Å; M71-Q75 PolarHBondContact O-N 2.72Å; Q72-Q75 PolarHBondContact O-N 3.17Å; Q75-L77 PolarHBondContact O-N 3.46Å; Q75-K82 PolarHBondContact O-NZ 3.44Å
76A94.7Very high90.9Very high87 Ų8797.9 Ų97.972%0.71949%0.493SS*.THydrogen-bonded Turntrans-70.4-11.1177.400000114.4Q72 K73 Y74Q72-A76 PolarHBondContact O-N 3.39Å; K73-A76 PolarHBondContact O-N 3.4Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.36Å
77L92.3Very high90.4Very high86 Ų8699.2 Ų99.245%0.4550%0.503SS..SBendtrans-70.6151.8176.5-66173.2000111.9Y74 Q75 K82Y74-L77 HydrophobicContact CD2-CD1 4.22Å; Y74-L77 WeakPolarHBondContact O-CB 3.32Å; Y74-L77 PolarHBondContact O-N 2.84Å; Q75-L77 PolarHBondContact O-N 3.46Å; L77-K82 WeakPolarHBondContact O-CE 3.01Å; L77-K82 PolarHBondContact O-NZ 3.33Å
78P91.6Very high89.9Confident90 Ų90102.4 Ų102.458%0.58452%0.52SS*.  trans-59.1138.5174.9-22.632.9000112.4A80 S81P78-A80 VanDerWaalsContact C-N 3.29Å; P78-A80 PolarHBondContact O-N 3.31Å; P78-S81 PolarHBondContact O-N 3.04Å; P78-S81 PolarHBondContact O-OG 3.27Å
79E88.7Confident89.6Confident91 Ų91103.5 Ų103.543%0.42553%0.53SS..Hα-helixtrans-61.8-35.9-174.1-161.757.8-15000113S81 K82 V83 R86E79-S81 PolarHBondContact O-N 3.18Å; E79-K82 WeakPolarHBondContact O-CB 3.46Å; E79-K82 PolarHBondContact O-N 3.01Å; E79-K82 WeakPolarHBondContact OE2-CD 3.47Å; E79-K82 IonicContact OE2-NZ 2.76Å; E79-K82 PolarHBondContact OE2-NZ 2.98Å; E79-V83 HydrophobicContact CG-CG2 4.11Å; E79-V83 WeakPolarHBondContact O-CG2 3.39Å; E79-V83 PolarHBondContact O-N 2.84Å; E79-R86 IonicContact OE1-NH1 3.17Å
80A87.3Confident89.1Confident79 Ų79103.1 Ų103.165%0.65353%0.53SS*.Hα-helixtrans-54.2-37.5175.100000112.7P78 T84P78-A80 VanDerWaalsContact C-N 3.29Å; P78-A80 PolarHBondContact O-N 3.31Å; A80-T84 PolarHBondContact O-OG1 3.23Å
81S85Confident88.8Confident58 Ų58102.6 Ų102.641%0.40653%0.534SS..Hα-helixtrans-74.2-27177.972.40000113.4P78 E79P78-S81 PolarHBondContact O-N 3.04Å; P78-S81 PolarHBondContact O-OG 3.27Å; E79-S81 PolarHBondContact O-N 3.18Å
82K87.3Confident88.5Confident21 Ų21103.5 Ų103.59%0.09154%0.54CS..Hα-helixtrans-77.7-51.6178.7-60.1-178.4-159.91430110.6Y74 Q75 L77 E79 T84 R85 R86Y74-K82 HydrophobicContact CE1-CD 4.15Å; Y74-K82 HydrophobicContact CE2-CG 4.31Å; Y74-K82 WeakPolarHBondContact O-CE 3.34Å; Q75-K82 PolarHBondContact O-NZ 3.44Å; L77-K82 WeakPolarHBondContact O-CE 3.01Å; L77-K82 PolarHBondContact O-NZ 3.33Å; E79-K82 WeakPolarHBondContact O-CB 3.46Å; E79-K82 PolarHBondContact O-N 3.01Å; E79-K82 WeakPolarHBondContact OE2-CD 3.47Å; E79-K82 IonicContact OE2-NZ 2.76Å; E79-K82 PolarHBondContact OE2-NZ 2.98Å; K82-T84 VanDerWaalsContact C-N 3.28Å; K82-T84 PolarHBondContact O-N 2.9Å; K82-R85 CarbonylContact O-C 3.53Å; K82-R85 PolarHBondContact O-N 3.47Å; K82-R86 VanDerWaalsContact O-CB 3.22Å; K82-R86 WeakPolarHBondContact O-CB 3.22Å; K82-R86 PolarHBondContact O-N 3.23Å
83V82.1Confident88.2Confident94 Ų94103.8 Ų103.857%0.5755%0.545SS*.Hα-helixtrans-55.3-43.6-172.3173.30000111.6E79 R85 R86E79-V83 HydrophobicContact CG-CG2 4.11Å; E79-V83 WeakPolarHBondContact O-CG2 3.39Å; E79-V83 PolarHBondContact O-N 2.84Å; V83-R85 PolarHBondContact O-N 3.02Å; V83-R86 PolarHBondContact O-N 2.91Å
84T82.6Confident88.1Confident123 Ų123101.2 Ų101.276%0.75553%0.531SS*.THydrogen-bonded Turntrans-61.4-28.1-179.8-49.30000113.9A80 K82A80-T84 PolarHBondContact O-OG1 3.23Å; K82-T84 VanDerWaalsContact C-N 3.28Å; K82-T84 PolarHBondContact O-N 2.9Å
85R81.9Confident88Confident226 Ų226102.8 Ų102.885%0.85354%0.542SS*.THydrogen-bonded Turntrans-114.3-4-175-65.4-174.9175.3174.80113.6K82 V83 L87K82-R85 CarbonylContact O-C 3.53Å; K82-R85 PolarHBondContact O-N 3.47Å; V83-R85 PolarHBondContact O-N 3.02Å; R85-L87 PolarHBondContact O-N 3.44Å
86R86.7Confident88.1Confident144 Ų14498.5 Ų98.554%0.54353%0.531SS..  trans-79.2120-178.7-170.6178.1-155.1168.51109.1E79 K82 V83E79-R86 IonicContact OE1-NH1 3.17Å; K82-R86 VanDerWaalsContact O-CB 3.22Å; K82-R86 WeakPolarHBondContact O-CB 3.22Å; K82-R86 PolarHBondContact O-N 3.23Å; V83-R86 PolarHBondContact O-N 2.91Å
87L84.4Confident88.1Confident138 Ų13899.8 Ų99.872%0.72353%0.526SS*.  trans-89.6111.2165.2-166.2146.6000108R85R85-L87 PolarHBondContact O-N 3.44Å
88D85.9Confident88.3Confident67 Ų67102.6 Ų102.636%0.35853%0.534SS..  trans-94.6119.6-179.8178.630.1000110.8E90 G91 L92 R94D88-E90 PolarHBondContact O-N 3.43Å; D88-E90 WeakPolarHBondContact OD1-CB 3.44Å; D88-E90 PolarHBondContact OD1-N 3.05Å; D88-E90 WeakPolarHBondContact OD2-CB 3.41Å; D88-G91 PolarHBondContact O-N 3.43Å; D88-G91 PolarHBondContact OD2-N 3.05Å; D88-L92 PolarHBondContact O-N 2.67Å; D88-R94 IonicContact OD2-NH2 2.74Å; D88-R94 PolarHBondContact OD2-NH2 2.84Å; D88-R94 VanDerWaalsContact OD2-NH2 3.11Å
89N88.4Confident88.4Confident111 Ų111104.4 Ų104.459%0.59453%0.533SS*.Hα-helixtrans-64.3-34.3175.5-70.9-30000111.1L92 L93N89-L92 PolarHBondContact O-N 3.11Å; N89-L93 WeakPolarHBondContact O-CB 3.45Å; N89-L93 VanDerWaalsContact O-CG 3.23Å; N89-L93 WeakPolarHBondContact O-CG 3.43Å; N89-L93 PolarHBondContact O-N 3.04Å
90E87.1Confident88.7Confident118 Ų118104.4 Ų104.455%0.55154%0.539SS*.Hα-helixtrans-66.6-46.5-179.7-158.4-167.5157.100110.3D88 L92 L93 R94D88-E90 PolarHBondContact O-N 3.43Å; D88-E90 WeakPolarHBondContact OD1-CB 3.44Å; D88-E90 PolarHBondContact OD1-N 3.05Å; D88-E90 WeakPolarHBondContact OD2-CB 3.41Å; E90-L92 PolarHBondContact O-N 2.83Å; E90-L93 PolarHBondContact O-N 3.17Å; E90-R94 VanDerWaalsContact CG-NH1 3.27Å; E90-R94 WeakPolarHBondContact O-CB 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 3.45Å; E90-R94 IonicContact OE1-CZ 3.11Å; E90-R94 IonicContact OE1-NH1 3.96Å; E90-R94 PolarHBondContact OE1-NH1 3.4Å; E90-R94 IonicContact OE1-NH2 3.73Å; E90-R94 IonicContact OE2-NH1 2.89Å; E90-R94 IonicContact OE2-NH2 2.91Å
91G88.1Confident89.1Confident26 Ų26102.1 Ų102.127%0.26852%0.524SS..Hα-helixtrans-57.1-44.5170.900000113.3D88 R94 Q95D88-G91 PolarHBondContact O-N 3.43Å; D88-G91 PolarHBondContact OD2-N 3.05Å; G91-R94 VanDerWaalsContact N-NH2 3.2Å; G91-R94 PolarHBondContact O-N 2.92Å; G91-Q95 WeakPolarHBondContact O-CB 3.39Å; G91-Q95 PolarHBondContact O-N 3.4Å
92L88.4Confident89.7Confident101 Ų101106 Ų10653%0.52953%0.533SS..Hα-helixtrans-61.7-44.4176.5-178.966.5000111.9D88 N89 E90 Q95 G96D88-L92 PolarHBondContact O-N 2.67Å; N89-L92 PolarHBondContact O-N 3.11Å; E90-L92 PolarHBondContact O-N 2.83Å; L92-Q95 PolarHBondContact O-N 2.86Å; L92-G96 PolarHBondContact O-N 3.46Å
93L91Very high90.1Very high131 Ų131113 Ų11369%0.68656%0.559SS**Hα-helixtrans-66.8-42.2178.2-71171.9000111.5N89 E90 Q95 G96 L97N89-L93 WeakPolarHBondContact O-CB 3.45Å; N89-L93 VanDerWaalsContact O-CG 3.23Å; N89-L93 WeakPolarHBondContact O-CG 3.43Å; N89-L93 PolarHBondContact O-N 3.04Å; E90-L93 PolarHBondContact O-N 3.17Å; L93-Q95 VanDerWaalsContact C-N 3.35Å; L93-Q95 PolarHBondContact O-N 3.27Å; L93-G96 WeakPolarHBondContact O-CA 3.23Å; L93-G96 PolarHBondContact O-N 3.35Å; L93-G96 VanDerWaalsContact O-N 3.17Å; L93-L97 PolarHBondContact O-N 2.96Å
94R91.4Very high90.8Very high106 Ų106114.7 Ų114.740%0.456%0.559SS.*Hα-helixtrans-57.3-46.4172.8-79.8-173.1-77-98.9-4.5112D88 E90 G91 G96 L97 K98D88-R94 IonicContact OD2-NH2 2.74Å; D88-R94 PolarHBondContact OD2-NH2 2.84Å; D88-R94 VanDerWaalsContact OD2-NH2 3.11Å; E90-R94 VanDerWaalsContact CG-NH1 3.27Å; E90-R94 WeakPolarHBondContact O-CB 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.43Å; E90-R94 PolarHBondContact O-N 3.45Å; E90-R94 IonicContact OE1-CZ 3.11Å; E90-R94 IonicContact OE1-NH1 3.96Å; E90-R94 PolarHBondContact OE1-NH1 3.4Å; E90-R94 IonicContact OE1-NH2 3.73Å; E90-R94 IonicContact OE2-NH1 2.89Å; E90-R94 IonicContact OE2-NH2 2.91Å; G91-R94 VanDerWaalsContact N-NH2 3.2Å; G91-R94 PolarHBondContact O-N 2.92Å; R94-G96 VanDerWaalsContact C-N 3.3Å; R94-G96 PolarHBondContact O-N 2.62Å; R94-L97 PolarHBondContact O-N 3.46Å; R94-K98 WeakPolarHBondContact O-CB 3.46Å; R94-K98 PolarHBondContact O-N 3.01Å
95Q91.4Very high91.5Very high135 Ų135113.7 Ų113.763%0.63155%0.545SS*.Hα-helixtrans-62.5-40.5177.1-170.9-174.720.900111.3G91 L92 L93 K98 K99G91-Q95 WeakPolarHBondContact O-CB 3.39Å; G91-Q95 PolarHBondContact O-N 3.4Å; L92-Q95 PolarHBondContact O-N 2.86Å; L93-Q95 VanDerWaalsContact C-N 3.35Å; L93-Q95 PolarHBondContact O-N 3.27Å; Q95-K98 PolarHBondContact O-N 2.9Å; Q95-K99 WeakPolarHBondContact O-CB 3.4Å; Q95-K99 PolarHBondContact O-N 3.47Å
96G93.3Very high92.1Very high36 Ų36106.3 Ų106.337%0.37153%0.529SS..Hα-helixtrans-58.9-50.1173.200000112.3L92 L93 R94 K98 K99 V100L92-G96 PolarHBondContact O-N 3.46Å; L93-G96 WeakPolarHBondContact O-CA 3.23Å; L93-G96 PolarHBondContact O-N 3.35Å; L93-G96 VanDerWaalsContact O-N 3.17Å; R94-G96 VanDerWaalsContact C-N 3.3Å; R94-G96 PolarHBondContact O-N 2.62Å; G96-K98 PolarHBondContact O-N 3.18Å; G96-K99 WeakPolarHBondContact O-CB 3.41Å; G96-K99 PolarHBondContact O-N 3.49Å; G96-V100 WeakPolarHBondContact O-CG2 3.42Å; G96-V100 PolarHBondContact O-N 3.3Å
97L95.6Very high92.6Very high115 Ų115103.1 Ų103.160%0.60253%0.527SS*.Hα-helixtrans-60.7-45.7178.3-176.661.8000111.4L93 R94 K99 V100 G101L93-L97 PolarHBondContact O-N 2.96Å; R94-L97 PolarHBondContact O-N 3.46Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.9Å; L97-V100 PolarHBondContact O-N 2.81Å; L97-V100 VanDerWaalsContact O-N 3.15Å; L97-G101 PolarHBondContact O-N 2.98Å
98K95.3Very high93.1Very high144 Ų144102.3 Ų102.363%0.62652%0.518SS*.Hα-helixtrans-58.1-40.7175.4-173.9173.8-174.2170.20112.1R94 Q95 G96 G101 K102R94-K98 WeakPolarHBondContact O-CB 3.46Å; R94-K98 PolarHBondContact O-N 3.01Å; Q95-K98 PolarHBondContact O-N 2.9Å; G96-K98 PolarHBondContact O-N 3.18Å; K98-G101 PolarHBondContact O-N 3.33Å; K98-K102 WeakPolarHBondContact O-CG 3.47Å; K98-K102 PolarHBondContact O-N 3Å
99K95Very high93.4Very high128 Ų128101.6 Ų101.656%0.55752%0.522SS*.Hα-helixtrans-66.9-40.1177.4-173.4175-176.81730111.9Q95 G96 L97 R103Q95-K99 WeakPolarHBondContact O-CB 3.4Å; Q95-K99 PolarHBondContact O-N 3.47Å; G96-K99 WeakPolarHBondContact O-CB 3.41Å; G96-K99 PolarHBondContact O-N 3.49Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.9Å; K99-R103 WeakPolarHBondContact O-CG 3.36Å; K99-R103 PolarHBondContact O-N 3.49Å
100V95.3Very high93.7Very high91 Ų9199.7 Ų99.755%0.55252%0.517SS*.Hα-helixtrans-66.6-44.2174.9173.60000110.6G96 L97 K102 R103 F104G96-V100 WeakPolarHBondContact O-CG2 3.42Å; G96-V100 PolarHBondContact O-N 3.3Å; L97-V100 PolarHBondContact O-N 2.81Å; L97-V100 VanDerWaalsContact O-N 3.15Å; V100-K102 PolarHBondContact O-N 3.44Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 2.89Å; V100-R103 VanDerWaalsContact O-N 3.1Å; V100-F104 PolarHBondContact O-N 3.1Å
101G95.8Very high94.1Very high32 Ų3297.2 Ų97.233%0.3351%0.51SS..Hα-helixtrans-58.3-44.9175.800000112.9L97 K98 R103 F104 E105L97-G101 PolarHBondContact O-N 2.98Å; K98-G101 PolarHBondContact O-N 3.33Å; G101-R103 VanDerWaalsContact C-N 3.29Å; G101-R103 PolarHBondContact O-N 3.15Å; G101-F104 WeakPolarHBondContact O-CB 3.42Å; G101-F104 PolarHBondContact O-N 3.26Å; G101-F104 VanDerWaalsContact O-N 3.11Å; G101-E105 PolarHBondContact O-N 3.04Å
102K96.7Very high94.2Very high140 Ų140100.4 Ų100.461%0.60951%0.514SS*.Hα-helixtrans-58.7-39.4173.9-74.8-176.8177.5-1660113.2K98 V100 F104 S106K98-K102 WeakPolarHBondContact O-CG 3.47Å; K98-K102 PolarHBondContact O-N 3Å; V100-K102 PolarHBondContact O-N 3.44Å; K102-F104 VanDerWaalsContact C-N 3.35Å; K102-S106 WeakPolarHBondContact O-CB 3.37Å; K102-S106 PolarHBondContact O-N 2.73Å
103R96.2Very high94.4Very high168 Ų16899.6 Ų99.663%0.63451%0.507SS*.Hα-helixtrans-68.5-38.1176.6-72.6176.7173.5-169.9-4.8111.4K99 V100 G101 C107K99-R103 WeakPolarHBondContact O-CG 3.36Å; K99-R103 PolarHBondContact O-N 3.49Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 2.89Å; V100-R103 VanDerWaalsContact O-N 3.1Å; G101-R103 VanDerWaalsContact C-N 3.29Å; G101-R103 PolarHBondContact O-N 3.15Å; R103-C107 VanDerWaalsContact O-CB 3.26Å; R103-C107 WeakPolarHBondContact O-CB 3.4Å; R103-C107 PolarHBondContact O-N 2.91Å
104F97.2Very high94.6Very high128 Ų12898.3 Ų98.356%0.56150%0.5SS*.Hα-helixtrans-61.9-49.4174.9177.5-100.4000111.2V100 G101 K102 S106 C107 K108V100-F104 PolarHBondContact O-N 3.1Å; G101-F104 WeakPolarHBondContact O-CB 3.42Å; G101-F104 PolarHBondContact O-N 3.26Å; G101-F104 VanDerWaalsContact O-N 3.11Å; K102-F104 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3Å; F104-C107 WeakPolarHBondContact O-CB 3.26Å; F104-C107 PolarHBondContact O-N 3.11Å; F104-K108 HydrophobicContact CE1-CD 4.46Å; F104-K108 WeakPolarHBondContact O-CB 3.38Å; F104-K108 PolarHBondContact O-N 3.41Å
105E95.8Very high94.8Very high102 Ų10297.2 Ų97.248%0.47750%0.5SS..Hα-helixtrans-62.7-41.4176.8-68.4-51.1129.800112.8G101 C107 K108 A109G101-E105 PolarHBondContact O-N 3.04Å; E105-C107 VanDerWaalsContact C-N 3.34Å; E105-C107 PolarHBondContact O-N 2.91Å; E105-K108 PolarHBondContact O-N 2.98Å; E105-A109 VanDerWaalsContact O-CB 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.38Å; E105-A109 PolarHBondContact O-N 2.99Å
106S96.2Very high94.9Very high72 Ų7290.9 Ų90.950%0.50347%0.47SS..Hα-helixtrans-63.3-40.1175.1175.30000112.3K102 F104 S110K102-S106 WeakPolarHBondContact O-CB 3.37Å; K102-S106 PolarHBondContact O-N 2.73Å; F104-S106 PolarHBondContact O-N 3Å; S106-S110 WeakPolarHBondContact O-CB 3.12Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 2.9Å
107C95.4Very high94.9Very high76 Ų7693 Ų9351%0.51447%0.474SS..Hα-helixtrans-62.7-50.4173.8-174.10000110.4R103 F104 E105 A109 S110 T111R103-C107 VanDerWaalsContact O-CB 3.26Å; R103-C107 WeakPolarHBondContact O-CB 3.4Å; R103-C107 PolarHBondContact O-N 2.91Å; F104-C107 WeakPolarHBondContact O-CB 3.26Å; F104-C107 PolarHBondContact O-N 3.11Å; E105-C107 VanDerWaalsContact C-N 3.34Å; E105-C107 PolarHBondContact O-N 2.91Å; C107-A109 PolarHBondContact O-N 3.13Å; C107-S110 PolarHBondContact O-N 2.75Å; C107-S110 VanDerWaalsContact O-N 3.15Å; C107-T111 PolarHBondContact O-N 2.84Å; C107-T111 PolarHBondContact O-OG1 3.32Å; C107-T111 VanDerWaalsContact O-OG1 3.06Å
108K94.7Very high94.9Very high122 Ų12292.1 Ų92.153%0.5347%0.469SS..Hα-helixtrans-57-46.4178-174.6-179.7178.2-177.20112F104 E105 T111 R112F104-K108 HydrophobicContact CE1-CD 4.46Å; F104-K108 WeakPolarHBondContact O-CB 3.38Å; F104-K108 PolarHBondContact O-N 3.41Å; E105-K108 PolarHBondContact O-N 2.98Å; K108-T111 PolarHBondContact O-N 3.01Å; K108-R112 WeakPolarHBondContact O-CB 3.4Å; K108-R112 PolarHBondContact O-N 3Å
109A93Very high94.8Very high52 Ų5286 Ų8643%0.4344%0.442SS..Hα-helixtrans-63.2-42.3176.600000112.1E105 C107 R112 Q113E105-A109 VanDerWaalsContact O-CB 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.38Å; E105-A109 PolarHBondContact O-N 2.99Å; C107-A109 PolarHBondContact O-N 3.13Å; A109-R112 PolarHBondContact O-N 3Å; A109-Q113 WeakPolarHBondContact O-CB 3.32Å; A109-Q113 VanDerWaalsContact O-CG 3.29Å; A109-Q113 WeakPolarHBondContact O-CG 3.46Å; A109-Q113 PolarHBondContact O-N 3.35Å
110S95Very high94.6Very high71 Ų7181.3 Ų81.350%0.49742%0.424SS..Hα-helixtrans-65.3-40.8177.4-56.80000111.8S106 C107 Q113 L114S106-S110 WeakPolarHBondContact O-CB 3.12Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 2.9Å; C107-S110 PolarHBondContact O-N 2.75Å; C107-S110 VanDerWaalsContact O-N 3.15Å; S110-Q113 PolarHBondContact O-N 2.97Å; S110-L114 WeakPolarHBondContact O-CB 3.08Å; S110-L114 PolarHBondContact O-N 3.21Å
111T94.3Very high94.6Very high65 Ų6580.7 Ų80.740%0.39942%0.417SS..Hα-helixtrans-62.2-47.1174.4-58.50000111C107 K108 Q113 L114 E115C107-T111 PolarHBondContact O-N 2.84Å; C107-T111 PolarHBondContact O-OG1 3.32Å; C107-T111 VanDerWaalsContact O-OG1 3.06Å; K108-T111 PolarHBondContact O-N 3.01Å; T111-Q113 VanDerWaalsContact C-N 3.34Å; T111-Q113 PolarHBondContact O-N 2.75Å; T111-L114 WeakPolarHBondContact O-CB 3.44Å; T111-L114 PolarHBondContact O-N 3.19Å; T111-L114 VanDerWaalsContact O-N 3.17Å; T111-E115 WeakPolarHBondContact O-CG 3.36Å; T111-E115 PolarHBondContact O-N 3.12Å
112R91.6Very high94.4Very high93 Ų9381.3 Ų81.335%0.35141%0.413SS..Hα-helixtrans-58.6-45.2176177.1-179.5174.8152.95112K108 A109 L114 E115 V116 E137K108-R112 WeakPolarHBondContact O-CB 3.4Å; K108-R112 PolarHBondContact O-N 3Å; A109-R112 PolarHBondContact O-N 3Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.24Å; R112-E115 PolarHBondContact O-N 3.43Å; R112-V116 WeakPolarHBondContact O-CG2 3.5Å; R112-V116 PolarHBondContact O-N 3.07Å; R112-E137 IonicContact CZ-OE1 2.88Å; R112-E137 IonicContact NH1-OE1 3.48Å; R112-E137 PolarHBondContact NH1-OE1 3.22Å; R112-E137 IonicContact NH2-OE1 2.62Å
113Q93.2Very high94.1Very high84 Ų8477.6 Ų77.639%0.39340%0.399SS..Hα-helixtrans-63.1-40.4177.2-75.4-64.6-21.400111.5A109 S110 T111 V116 N117A109-Q113 WeakPolarHBondContact O-CB 3.32Å; A109-Q113 VanDerWaalsContact O-CG 3.29Å; A109-Q113 WeakPolarHBondContact O-CG 3.46Å; A109-Q113 PolarHBondContact O-N 3.35Å; S110-Q113 PolarHBondContact O-N 2.97Å; T111-Q113 VanDerWaalsContact C-N 3.34Å; T111-Q113 PolarHBondContact O-N 2.75Å; Q113-V116 PolarHBondContact O-N 2.84Å; Q113-N117 WeakPolarHBondContact O-CB 3.26Å; Q113-N117 PolarHBondContact O-N 3Å; Q113-N117 PolarHBondContact O-ND2 3.33Å
114L95.1Very high93.8Very high104 Ų10474.4 Ų74.455%0.54540%0.402SS..Hα-helixtrans-62.4-45.6174.9-179.161.9000111.6S110 T111 R112 V116 N117 L118S110-L114 WeakPolarHBondContact O-CB 3.08Å; S110-L114 PolarHBondContact O-N 3.21Å; T111-L114 WeakPolarHBondContact O-CB 3.44Å; T111-L114 PolarHBondContact O-N 3.19Å; T111-L114 VanDerWaalsContact O-N 3.17Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.24Å; L114-V116 PolarHBondContact O-N 3.17Å; L114-N117 PolarHBondContact O-N 3.36Å; L114-L118 HydrophobicContact CD1-CD1 4.38Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 HydrophobicContact CG-CD1 4.15Å; L114-L118 HydrophobicContact CG-CG 4.48Å; L114-L118 WeakPolarHBondContact O-CB 3.18Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.43Å; L114-L118 PolarHBondContact O-N 3.47Å
115E94.1Very high93.6Very high84 Ų8473 Ų7339%0.39340%0.4SS..Hα-helixtrans-58.6-47.3176.7-73.5176.2-172.100112T111 R112 N117 L118 I119T111-E115 WeakPolarHBondContact O-CG 3.36Å; T111-E115 PolarHBondContact O-N 3.12Å; R112-E115 PolarHBondContact O-N 3.43Å; E115-N117 PolarHBondContact O-N 2.96Å; E115-L118 PolarHBondContact O-N 2.83Å; E115-I119 WeakPolarHBondContact O-CD1 3.29Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.3Å; E115-I119 VanDerWaalsContact O-N 3.1Å
116V93.9Very high93.4Very high1 Ų171.2 Ų71.21%0.00641%0.409CS..Hα-helixtrans-59.5-48.3176.3167.70000110.9R112 Q113 L114 L118 I119 L120 A141 L142 E145R112-V116 WeakPolarHBondContact O-CG2 3.5Å; R112-V116 PolarHBondContact O-N 3.07Å; Q113-V116 PolarHBondContact O-N 2.84Å; L114-V116 PolarHBondContact O-N 3.17Å; V116-L118 PolarHBondContact O-N 2.94Å; V116-I119 PolarHBondContact O-N 3.47Å; V116-L120 HydrophobicContact CG1-CD1 3.92Å; V116-L120 HydrophobicContact CG1-CG 4.4Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.14Å; V116-A141 HydrophobicContact CG2-CB 3.69Å; V116-L142 HydrophobicContact CB-CD2 4.5Å; V116-L142 HydrophobicContact CG1-CD2 3.9Å; V116-E145 HydrophobicContact CG1-CB 4.41Å; V116-E145 HydrophobicContact CG1-CG 4.42Å
117N94.7Very high93.1Very high82 Ų8275.3 Ų75.344%0.43941%0.414SS..Hα-helixtrans-63.1-39.4-179.8-78.9-54.5000112.9Q113 L114 E115 I119 L120 N121Q113-N117 WeakPolarHBondContact O-CB 3.26Å; Q113-N117 PolarHBondContact O-N 3Å; Q113-N117 PolarHBondContact O-ND2 3.33Å; L114-N117 PolarHBondContact O-N 3.36Å; E115-N117 PolarHBondContact O-N 2.96Å; N117-I119 VanDerWaalsContact C-N 3.33Å; N117-L120 PolarHBondContact O-N 2.86Å; N117-N121 VanDerWaalsContact O-CB 3.29Å; N117-N121 WeakPolarHBondContact O-CB 3.46Å; N117-N121 PolarHBondContact O-N 2.85Å
118L94Very high92.6Very high95 Ų9575.2 Ų75.250%0.49740%0.402SS..Hα-helixtrans-61.8-43.5175.3-73.1172.5000111.1L114 E115 V116 N121 D122L114-L118 HydrophobicContact CD1-CD1 4.38Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 HydrophobicContact CG-CD1 4.15Å; L114-L118 HydrophobicContact CG-CG 4.48Å; L114-L118 WeakPolarHBondContact O-CB 3.18Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.43Å; L114-L118 PolarHBondContact O-N 3.47Å; E115-L118 PolarHBondContact O-N 2.83Å; V116-L118 PolarHBondContact O-N 2.94Å; L118-N121 PolarHBondContact O-N 2.94Å; L118-D122 PolarHBondContact O-N 3.4Å
119I93.1Very high91.8Very high15 Ų1575.1 Ų75.18%0.07742%0.417CS..Hα-helixtrans-67.9-44179.3-62.9164.8000111.3E115 V116 N117 N121 D122 I123 L134 I138 L142E115-I119 WeakPolarHBondContact O-CD1 3.29Å; E115-I119 VanDerWaalsContact O-CG1 3.26Å; E115-I119 WeakPolarHBondContact O-CG1 3.39Å; E115-I119 PolarHBondContact O-N 3.3Å; E115-I119 VanDerWaalsContact O-N 3.1Å; V116-I119 PolarHBondContact O-N 3.47Å; N117-I119 VanDerWaalsContact C-N 3.33Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.39Å; I119-D122 PolarHBondContact O-N 2.84Å; I119-I123 HydrophobicContact CG2-CD1 3.88Å; I119-I123 HydrophobicContact CG2-CG1 4.4Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.22Å; I119-I123 PolarHBondContact O-N 3.41Å; I119-L134 HydrophobicContact CD1-CD2 3.77Å; I119-L134 HydrophobicContact CG2-CD1 4.49Å; I119-I138 HydrophobicContact CD1-CG2 3.53Å; I119-L142 HydrophobicContact CB-CD1 4.35Å; I119-L142 HydrophobicContact CB-CD2 4.01Å; I119-L142 HydrophobicContact CD1-CD1 4.38Å; I119-L142 HydrophobicContact CG2-CD1 3.66Å; I119-L142 HydrophobicContact CG2-CD2 3.9Å; I119-L142 HydrophobicContact CG2-CG 4.45Å
120L92.2Very high91.2Very high31 Ų3175.9 Ų75.916%0.16241%0.414CS..Hα-helixtrans-59.9-40175.4-71.5173.2000111.8V116 N117 I123 S124 L142 E145 V146V116-L120 HydrophobicContact CG1-CD1 3.92Å; V116-L120 HydrophobicContact CG1-CG 4.4Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 3.14Å; N117-L120 PolarHBondContact O-N 2.86Å; L120-I123 PolarHBondContact O-N 2.76Å; L120-S124 WeakPolarHBondContact O-CB 3.24Å; L120-S124 PolarHBondContact O-N 3.37Å; L120-S124 PolarHBondContact O-OG 3.35Å; L120-L142 HydrophobicContact CD1-CD2 4.39Å; L120-L142 HydrophobicContact CD2-CD2 3.6Å; L120-L142 HydrophobicContact CG-CD2 3.55Å; L120-E145 HydrophobicContact CD1-CB 3.9Å; L120-E145 HydrophobicContact CD1-CG 3.75Å; L120-V146 HydrophobicContact CD2-CG2 3.74Å
121N93.8Very high90.6Very high77 Ų7776.4 Ų76.441%0.41241%0.411SS..Hα-helixtrans-63.9-43.3175.6-173.842.9000111.5N117 L118 I119 I123 S124 L125N117-N121 VanDerWaalsContact O-CB 3.29Å; N117-N121 WeakPolarHBondContact O-CB 3.46Å; N117-N121 PolarHBondContact O-N 2.85Å; L118-N121 PolarHBondContact O-N 2.94Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.39Å; N121-I123 VanDerWaalsContact C-N 3.35Å; N121-I123 PolarHBondContact O-N 2.86Å; N121-S124 PolarHBondContact O-N 3.02Å; N121-L125 WeakPolarHBondContact O-CB 3.44Å; N121-L125 VanDerWaalsContact O-CG 3.31Å; N121-L125 WeakPolarHBondContact O-CG 3.4Å; N121-L125 PolarHBondContact O-N 2.88Å
122D92.4Very high90.1Very high46 Ų4680.4 Ų80.425%0.24643%0.43CS..Hα-helixtrans-63.2-39175.5-75.1-24.2000113L118 I119 L125 G126 R127 R128L118-D122 PolarHBondContact O-N 3.4Å; I119-D122 PolarHBondContact O-N 2.84Å; D122-L125 PolarHBondContact O-N 3.42Å; D122-G126 PolarHBondContact O-N 2.89Å; D122-R127 HydrophobicContact CB-CB 4.28Å; D122-R127 PolarHBondContact O-N 3.15Å; D122-R127 IonicContact OD1-CZ 3.95Å; D122-R127 IonicContact OD1-NE 2.73Å; D122-R127 PolarHBondContact OD1-NE 3.4Å; D122-R127 IonicContact OD1-NH2 3.35Å; D122-R127 PolarHBondContact OD1-NH2 3.06Å; D122-R128 HydrophobicContact CB-CB 4.03Å; D122-R128 PolarHBondContact O-N 2.91Å
123I91Very high89.9Confident62 Ų6281.9 Ų81.932%0.31844%0.444SS..Hα-helixtrans-63.4-46.7173.7-67.7165.6000109.9I119 L120 N121 L125 G126 R128 L131I119-I123 HydrophobicContact CG2-CD1 3.88Å; I119-I123 HydrophobicContact CG2-CG1 4.4Å; I119-I123 VanDerWaalsContact O-CG1 3.3Å; I119-I123 WeakPolarHBondContact O-CG1 3.22Å; I119-I123 PolarHBondContact O-N 3.41Å; L120-I123 PolarHBondContact O-N 2.76Å; N121-I123 VanDerWaalsContact C-N 3.35Å; N121-I123 PolarHBondContact O-N 2.86Å; I123-L125 PolarHBondContact O-N 3.43Å; I123-G126 PolarHBondContact O-N 3.37Å; I123-R128 HydrophobicContact CG1-CB 4.33Å; I123-L131 HydrophobicContact CD1-CD1 4.35Å; I123-L131 HydrophobicContact CD1-CD2 4.23Å; I123-L131 HydrophobicContact CD1-CG 4.5Å; I123-L131 HydrophobicContact CG1-CD1 4.43Å
124S90Very high89.7Confident100 Ų10078.7 Ų78.770%0.69943%0.43SS*.Hα-helixtrans-62.9-32.6-179-57.90000112.6L120 N121 G126L120-S124 WeakPolarHBondContact O-CB 3.24Å; L120-S124 PolarHBondContact O-N 3.37Å; L120-S124 PolarHBondContact O-OG 3.35Å; N121-S124 PolarHBondContact O-N 3.02Å; S124-G126 VanDerWaalsContact C-N 3.32Å
125L92.8Very high89.4Confident100 Ų10077 Ų7752%0.52443%0.425SS..THydrogen-bonded Turntrans-87.11.5176.4-65.9171.7000113.3N121 D122 I123 R127N121-L125 WeakPolarHBondContact O-CB 3.44Å; N121-L125 VanDerWaalsContact O-CG 3.31Å; N121-L125 WeakPolarHBondContact O-CG 3.4Å; N121-L125 PolarHBondContact O-N 2.88Å; D122-L125 PolarHBondContact O-N 3.42Å; I123-L125 PolarHBondContact O-N 3.43Å; L125-R127 HydrophobicContact CB-CG 4.19Å; L125-R127 VanDerWaalsContact CD1-CZ 3.43Å; L125-R127 PolarHBondContact O-N 3.26Å
126G90.9Very high89.1Confident64 Ų6478.1 Ų78.166%0.6644%0.44SS*.THydrogen-bonded Turntrans67.814.8-178.200000114.4D122 I123 S124D122-G126 PolarHBondContact O-N 2.89Å; I123-G126 PolarHBondContact O-N 3.37Å; S124-G126 VanDerWaalsContact C-N 3.32Å
127R90.1Very high88.9Confident158 Ų15884 Ų8460%0.59647%0.467SS*.  trans-77.1-26.2179.1-68.1-163.8-68.8-1241.6112.9D122 L125D122-R127 HydrophobicContact CB-CB 4.28Å; D122-R127 PolarHBondContact O-N 3.15Å; D122-R127 IonicContact OD1-CZ 3.95Å; D122-R127 IonicContact OD1-NE 2.73Å; D122-R127 PolarHBondContact OD1-NE 3.4Å; D122-R127 IonicContact OD1-NH2 3.35Å; D122-R127 PolarHBondContact OD1-NH2 3.06Å; L125-R127 HydrophobicContact CB-CG 4.19Å; L125-R127 VanDerWaalsContact CD1-CZ 3.43Å; L125-R127 PolarHBondContact O-N 3.26Å
128R84.8Confident88.7Confident73 Ų7381.3 Ų81.328%0.27545%0.453SS..  trans-115.5116.1-179-168.7173.1-166.4145.36.7110.9D122 I123 N130 L134D122-R128 HydrophobicContact CB-CB 4.03Å; D122-R128 PolarHBondContact O-N 2.91Å; I123-R128 HydrophobicContact CG1-CB 4.33Å; R128-N130 PolarHBondContact NE-O 3.03Å; R128-L134 VanDerWaalsContact CZ-CD2 3.47Å
129S77.3Confident88.5Confident121 Ų12177.5 Ų77.585%0.84644%0.435SS*.  trans-105.7-29.5177.750.40000113.4
130N81Confident88.5Confident67 Ų6780.8 Ų80.836%0.35846%0.456SS..  trans-98.7121178.2-165.7-20000111.2R128 D132 D133R128-N130 PolarHBondContact NE-O 3.03Å; N130-D132 WeakPolarHBondContact OD1-CB 3.44Å; N130-D132 PolarHBondContact OD1-N 2.84Å; N130-D133 PolarHBondContact ND2-OD2 2.91Å
131L82.5Confident88.5Confident82 Ų8279.7 Ų79.743%0.42945%0.451SS..  trans-107.4-9175.7-84.668.9000112.4I123 D133 L134I123-L131 HydrophobicContact CD1-CD1 4.35Å; I123-L131 HydrophobicContact CD1-CD2 4.23Å; I123-L131 HydrophobicContact CD1-CG 4.5Å; I123-L131 HydrophobicContact CG1-CD1 4.43Å; L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.17Å; L131-L134 HydrophobicContact CB-CD1 4.06Å; L131-L134 HydrophobicContact CG-CD1 3.94Å; L131-L134 VanDerWaalsContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CB 3.44Å; L131-L134 PolarHBondContact O-N 2.9Å
132D84.7Confident88.4Confident150 Ų15076.4 Ų76.480%0.80243%0.433SS*.THydrogen-bonded Turntrans-70.5-25.2-177.8-60.6-41.4000112N130 L134N130-D132 WeakPolarHBondContact OD1-CB 3.44Å; N130-D132 PolarHBondContact OD1-N 2.84Å; D132-L134 PolarHBondContact O-N 3.29Å
133D87.3Confident88.5Confident123 Ų12381.4 Ų81.466%0.65845%0.449SS*.THydrogen-bonded Turntrans-76-1.1176.3-57.8-43.3000113.5N130 L131N130-D133 PolarHBondContact ND2-OD2 2.91Å; L131-D133 VanDerWaalsContact C-N 3.26Å; L131-D133 PolarHBondContact O-N 3.17Å
134L87.6Confident88.6Confident18 Ų1881.5 Ų81.59%0.09446%0.455CS..SBendtrans-80.2140.4-176.3-74.9167.6000112.1I119 R128 L131 D132 I138 A139 L142I119-L134 HydrophobicContact CD1-CD2 3.77Å; I119-L134 HydrophobicContact CG2-CD1 4.49Å; R128-L134 VanDerWaalsContact CZ-CD2 3.47Å; L131-L134 HydrophobicContact CB-CD1 4.06Å; L131-L134 HydrophobicContact CG-CD1 3.94Å; L131-L134 VanDerWaalsContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CB 3.44Å; L131-L134 PolarHBondContact O-N 2.9Å; D132-L134 PolarHBondContact O-N 3.29Å; L134-I138 HydrophobicContact CD2-CG2 4.26Å; L134-A139 HydrophobicContact CB-CB 4.4Å; L134-L142 HydrophobicContact CD1-CD1 3.59Å
135P89Confident88.8Confident67 Ų6779.1 Ų79.144%0.43543%0.433SS..  trans-53.4138.4167-23.432.9000110.5E137 I138 A139P135-E137 PolarHBondContact O-N 3.4Å; P135-E137 VanDerWaalsContact O-N 3.14Å; P135-I138 HydrophobicContact CB-CD1 4.31Å; P135-I138 HydrophobicContact CB-CG1 4.25Å; P135-I138 HydrophobicContact CG-CD1 3.91Å; P135-I138 HydrophobicContact CG-CG1 4.39Å; P135-I138 PolarHBondContact O-N 3.15Å; P135-A139 PolarHBondContact O-N 3.48Å
136P88.2Confident88.8Confident109 Ų10977.9 Ų77.971%0.70843%0.429SS*.Hα-helixtrans-58.5-35.2-173.922.2-33.2000112.1A139 V140P136-A139 PolarHBondContact O-N 3.21Å; P136-V140 WeakPolarHBondContact O-CG2 3.48Å; P136-V140 PolarHBondContact O-N 3.39Å
137E89.2Confident89.1Confident124 Ų12479 Ų7958%0.57942%0.417SS*.Hα-helixtrans-65.4-41.2178.9-163.6179.2-17900112.9R112 P135 V140 A141R112-E137 IonicContact CZ-OE1 2.88Å; R112-E137 IonicContact NH1-OE1 3.48Å; R112-E137 PolarHBondContact NH1-OE1 3.22Å; R112-E137 IonicContact NH2-OE1 2.62Å; P135-E137 PolarHBondContact O-N 3.4Å; P135-E137 VanDerWaalsContact O-N 3.14Å; E137-V140 PolarHBondContact O-N 2.94Å; E137-A141 PolarHBondContact O-N 3.49Å; E137-A141 VanDerWaalsContact O-N 3.15Å
138I91.1Very high89.3Confident26 Ų2676.2 Ų76.213%0.13341%0.414CS..Hα-helixtrans-69.1-41.6175.9-61.2-178.2000110I119 L134 P135 V140 A141 L142I119-I138 HydrophobicContact CD1-CG2 3.53Å; L134-I138 HydrophobicContact CD2-CG2 4.26Å; P135-I138 HydrophobicContact CB-CD1 4.31Å; P135-I138 HydrophobicContact CB-CG1 4.25Å; P135-I138 HydrophobicContact CG-CD1 3.91Å; P135-I138 HydrophobicContact CG-CG1 4.39Å; P135-I138 PolarHBondContact O-N 3.15Å; I138-V140 VanDerWaalsContact C-N 3.29Å; I138-V140 PolarHBondContact O-N 2.95Å; I138-A141 PolarHBondContact O-N 2.68Å; I138-A141 VanDerWaalsContact O-N 3.15Å; I138-L142 HydrophobicContact CG2-CD1 3.88Å; I138-L142 HydrophobicContact CG2-CG 4.22Å; I138-L142 WeakPolarHBondContact O-CG 3.49Å; I138-L142 PolarHBondContact O-N 2.8Å
139A90.7Very high89.8Confident15 Ų1578 Ų7812%0.12443%0.428CS..Hα-helixtrans-60.6-38.1177.600000112.4L134 P135 P136 R143L134-A139 HydrophobicContact CB-CB 4.4Å; P135-A139 PolarHBondContact O-N 3.48Å; P136-A139 PolarHBondContact O-N 3.21Å; A139-R143 WeakPolarHBondContact O-CG 3.39Å; A139-R143 PolarHBondContact O-N 3.24Å; A139-R143 VanDerWaalsContact O-N 3.1Å; A139-R143 PolarHBondContact O-NE 3.38Å
140V91.8Very high90.7Very high84 Ų8478.3 Ų78.351%0.50941%0.41SS..Hα-helixtrans-64.7-45.6173.1171.40000111.2P136 E137 I138 L142 R143 S144P136-V140 WeakPolarHBondContact O-CG2 3.48Å; P136-V140 PolarHBondContact O-N 3.39Å; E137-V140 PolarHBondContact O-N 2.94Å; I138-V140 VanDerWaalsContact C-N 3.29Å; I138-V140 PolarHBondContact O-N 2.95Å; V140-L142 PolarHBondContact O-N 3.32Å; V140-R143 PolarHBondContact O-N 3Å; V140-S144 PolarHBondContact O-N 3.03Å; V140-S144 PolarHBondContact O-OG 3.26Å
141A92.2Very high91.5Very high7 Ų778 Ų786%0.05841%0.413CS..Hα-helixtrans-63.1-40.3178.200000112.6V116 E137 I138 S144 E145V116-A141 HydrophobicContact CG2-CB 3.69Å; E137-A141 PolarHBondContact O-N 3.49Å; E137-A141 VanDerWaalsContact O-N 3.15Å; I138-A141 PolarHBondContact O-N 2.68Å; I138-A141 VanDerWaalsContact O-N 3.15Å; A141-S144 WeakPolarHBondContact CA-OG 3.43Å; A141-S144 PolarHBondContact O-N 2.74Å; A141-S144 PolarHBondContact O-OG 3.02Å; A141-E145 PolarHBondContact O-N 3.4Å
142L92.6Very high92.1Very high9 Ų976.7 Ų76.75%0.04741%0.411CS..Hα-helixtrans-61.6-45.8175.2-73.4166.2000111.6V116 I119 L120 L134 I138 V140 S144 E145 V146V116-L142 HydrophobicContact CB-CD2 4.5Å; V116-L142 HydrophobicContact CG1-CD2 3.9Å; I119-L142 HydrophobicContact CB-CD1 4.35Å; I119-L142 HydrophobicContact CB-CD2 4.01Å; I119-L142 HydrophobicContact CD1-CD1 4.38Å; I119-L142 HydrophobicContact CG2-CD1 3.66Å; I119-L142 HydrophobicContact CG2-CD2 3.9Å; I119-L142 HydrophobicContact CG2-CG 4.45Å; L120-L142 HydrophobicContact CD1-CD2 4.39Å; L120-L142 HydrophobicContact CD2-CD2 3.6Å; L120-L142 HydrophobicContact CG-CD2 3.55Å; L134-L142 HydrophobicContact CD1-CD1 3.59Å; I138-L142 HydrophobicContact CG2-CD1 3.88Å; I138-L142 HydrophobicContact CG2-CG 4.22Å; I138-L142 WeakPolarHBondContact O-CG 3.49Å; I138-L142 PolarHBondContact O-N 2.8Å; V140-L142 PolarHBondContact O-N 3.32Å; L142-S144 PolarHBondContact O-N 3.24Å; L142-E145 PolarHBondContact O-N 2.8Å; L142-V146 WeakPolarHBondContact O-CG2 3.45Å; L142-V146 PolarHBondContact O-N 3.41Å
143R92.9Very high92.7Very high151 Ų15174.1 Ų74.157%0.5740%0.397SS*.Hα-helixtrans-58.6-47175.8-81.1-176.4-74.8-93.8-0.1111.5A139 V140 E145 V146 E147A139-R143 WeakPolarHBondContact O-CG 3.39Å; A139-R143 PolarHBondContact O-N 3.24Å; A139-R143 VanDerWaalsContact O-N 3.1Å; A139-R143 PolarHBondContact O-NE 3.38Å; V140-R143 PolarHBondContact O-N 3Å; R143-E145 VanDerWaalsContact C-N 3.31Å; R143-E145 PolarHBondContact O-N 2.95Å; R143-V146 PolarHBondContact O-N 3Å; R143-E147 WeakPolarHBondContact O-CB 3.2Å; R143-E147 VanDerWaalsContact O-CG 3.23Å; R143-E147 WeakPolarHBondContact O-CG 3.37Å; R143-E147 PolarHBondContact O-N 3.33Å
144S94.8Very high93.2Very high64 Ų6475 Ų7545%0.44839%0.392SS..Hα-helixtrans-61.8-39.3178.555.80000112.6V140 A141 L142 E147 L148V140-S144 PolarHBondContact O-N 3.03Å; V140-S144 PolarHBondContact O-OG 3.26Å; A141-S144 WeakPolarHBondContact CA-OG 3.43Å; A141-S144 PolarHBondContact O-N 2.74Å; A141-S144 PolarHBondContact O-OG 3.02Å; L142-S144 PolarHBondContact O-N 3.24Å; S144-E147 PolarHBondContact O-N 3.17Å; S144-L148 WeakPolarHBondContact O-CB 3.31Å; S144-L148 PolarHBondContact O-N 3.05Å
145E93.4Very high93.6Very high49 Ų4980.5 Ų80.523%0.22942%0.417CS..Hα-helixtrans-68.2-41.4-179.9-143.866.9-158.200111.9V116 L120 A141 L142 R143 L148 L149V116-E145 HydrophobicContact CG1-CB 4.41Å; V116-E145 HydrophobicContact CG1-CG 4.42Å; L120-E145 HydrophobicContact CD1-CB 3.9Å; L120-E145 HydrophobicContact CD1-CG 3.75Å; A141-E145 PolarHBondContact O-N 3.4Å; L142-E145 PolarHBondContact O-N 2.8Å; R143-E145 VanDerWaalsContact C-N 3.31Å; R143-E145 PolarHBondContact O-N 2.95Å; E145-L148 PolarHBondContact O-N 3.47Å; E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.81Å
146V93.4Very high93.9Very high75 Ų7585.5 Ų85.546%0.45543%0.427SS..Hα-helixtrans-65.5-41.2176171.90000111.2L120 L142 R143 L149 R150L120-V146 HydrophobicContact CD2-CG2 3.74Å; L142-V146 WeakPolarHBondContact O-CG2 3.45Å; L142-V146 PolarHBondContact O-N 3.41Å; R143-V146 PolarHBondContact O-N 3Å; V146-L149 PolarHBondContact O-N 3.31Å; V146-R150 WeakPolarHBondContact O-CB 3.36Å; V146-R150 PolarHBondContact O-N 3.13Å
147E95.9Very high94.3Very high87 Ų8784.8 Ų84.841%0.40742%0.417SS..Hα-helixtrans-62.9-42.1175.6-76.9-64.4153.900112.1R143 S144 R150 S151R143-E147 WeakPolarHBondContact O-CB 3.2Å; R143-E147 VanDerWaalsContact O-CG 3.23Å; R143-E147 WeakPolarHBondContact O-CG 3.37Å; R143-E147 PolarHBondContact O-N 3.33Å; S144-E147 PolarHBondContact O-N 3.17Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 3.41Å; E147-R150 IonicContact OE1-CZ 3.96Å; E147-R150 IonicContact OE1-NE 2.7Å; E147-R150 IonicContact OE1-NH1 3.65Å; E147-R150 PolarHBondContact OE1-NH1 2.93Å; E147-R150 IonicContact OE1-NH2 2.86Å; E147-R150 PolarHBondContact OE1-NH2 3.42Å; E147-R150 VanDerWaalsContact OE1-NH2 3.17Å; E147-R150 IonicContact OE2-CZ 3.1Å; E147-R150 IonicContact OE2-NE 2.85Å; E147-R150 PolarHBondContact OE2-NE 2.81Å; E147-R150 IonicContact OE2-NH1 2.82Å; E147-R150 PolarHBondContact OE2-NH1 3.29Å; E147-R150 IonicContact OE2-NH2 3.42Å; E147-R150 PolarHBondContact OE2-NH2 2.97Å; E147-S151 PolarHBondContact O-N 2.88Å
148L95.6Very high94.6Very high100 Ų10083.8 Ų83.852%0.52442%0.415SS..Hα-helixtrans-62.3-46.2174.2-176.464.7000111.4S144 E145 R150 S151 S152S144-L148 WeakPolarHBondContact O-CB 3.31Å; S144-L148 PolarHBondContact O-N 3.05Å; E145-L148 PolarHBondContact O-N 3.47Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.5Å; L148-S151 PolarHBondContact O-N 3.36Å; L148-S152 PolarHBondContact O-N 3.43Å
149L94.2Very high94.7Very high109 Ų10985.5 Ų85.557%0.57143%0.43SS*.Hα-helixtrans-61.1-42.3177.1-177.460.7000111.4E145 V146 S152 I153E145-L149 WeakPolarHBondContact O-CB 3.29Å; E145-L149 PolarHBondContact O-N 2.81Å; V146-L149 PolarHBondContact O-N 3.31Å; L149-S152 PolarHBondContact O-N 3.39Å; L149-I153 HydrophobicContact CD1-CD1 4.27Å; L149-I153 HydrophobicContact CD1-CG1 4.5Å; L149-I153 HydrophobicContact CG-CD1 3.99Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.48Å
150R96Very high94.8Very high128 Ų12890.3 Ų90.348%0.48345%0.453SS..Hα-helixtrans-59.2-47.9175.9-174178.277.9-169.18.1111.4V146 E147 L148 S152 I153 Y154V146-R150 WeakPolarHBondContact O-CB 3.36Å; V146-R150 PolarHBondContact O-N 3.13Å; E147-R150 WeakPolarHBondContact O-CB 3.38Å; E147-R150 PolarHBondContact O-N 3.41Å; E147-R150 IonicContact OE1-CZ 3.96Å; E147-R150 IonicContact OE1-NE 2.7Å; E147-R150 IonicContact OE1-NH1 3.65Å; E147-R150 PolarHBondContact OE1-NH1 2.93Å; E147-R150 IonicContact OE1-NH2 2.86Å; E147-R150 PolarHBondContact OE1-NH2 3.42Å; E147-R150 VanDerWaalsContact OE1-NH2 3.17Å; E147-R150 IonicContact OE2-CZ 3.1Å; E147-R150 IonicContact OE2-NE 2.85Å; E147-R150 PolarHBondContact OE2-NE 2.81Å; E147-R150 IonicContact OE2-NH1 2.82Å; E147-R150 PolarHBondContact OE2-NH1 3.29Å; E147-R150 IonicContact OE2-NH2 3.42Å; E147-R150 PolarHBondContact OE2-NH2 2.97Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.5Å; R150-S152 PolarHBondContact O-N 2.92Å; R150-I153 PolarHBondContact O-N 3.5Å; R150-Y154 HydrophobicContact CG-CD2 3.86Å; R150-Y154 HydrophobicContact CG-CE2 3.65Å; R150-Y154 VanDerWaalsContact O-CD2 3.24Å; R150-Y154 WeakPolarHBondContact O-CD2 3.16Å; R150-Y154 PolarHBondContact O-N 3.48Å
151S97.5Very high94.9Very high60 Ų6090.4 Ų90.442%0.4245%0.454SS..Hα-helixtrans-60.2-45.8177.6-165.90000111.7E147 L148 I153 Y154 E155E147-S151 PolarHBondContact O-N 2.88Å; L148-S151 PolarHBondContact O-N 3.36Å; S151-I153 VanDerWaalsContact C-N 3.31Å; S151-I153 PolarHBondContact O-N 3.31Å; S151-Y154 PolarHBondContact O-N 3.1Å; S151-E155 PolarHBondContact O-N 3.09Å
152S96.9Very high94.8Very high55 Ų5593.6 Ų93.639%0.38548%0.475SS..Hα-helixtrans-59.4-41.5177.3-172.20000112.1L148 L149 R150 E155 R156L148-S152 PolarHBondContact O-N 3.43Å; L149-S152 PolarHBondContact O-N 3.39Å; R150-S152 PolarHBondContact O-N 2.92Å; S152-E155 PolarHBondContact O-N 2.95Å; S152-R156 WeakPolarHBondContact O-CB 3.32Å; S152-R156 VanDerWaalsContact O-CG 3.27Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.37Å
153I96.8Very high94.6Very high97 Ų9795.7 Ų95.750%0.49749%0.494SS..Hα-helixtrans-63.2-44.5176.3-69.4165.3000111L149 R150 S151 R156 L157L149-I153 HydrophobicContact CD1-CD1 4.27Å; L149-I153 HydrophobicContact CD1-CG1 4.5Å; L149-I153 HydrophobicContact CG-CD1 3.99Å; L149-I153 VanDerWaalsContact O-CG1 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.48Å; R150-I153 PolarHBondContact O-N 3.5Å; S151-I153 VanDerWaalsContact C-N 3.31Å; S151-I153 PolarHBondContact O-N 3.31Å; I153-R156 PolarHBondContact O-N 3.17Å; I153-L157 WeakPolarHBondContact O-CB 3.49Å; I153-L157 PolarHBondContact O-N 3.47Å
154Y96.6Very high94.3Very high142 Ų14291.2 Ų91.256%0.55749%0.49SS*.Hα-helixtrans-62-44.4178-86.5-66.9000112.7R150 S151 L157 N158R150-Y154 HydrophobicContact CG-CD2 3.86Å; R150-Y154 HydrophobicContact CG-CE2 3.65Å; R150-Y154 VanDerWaalsContact O-CD2 3.24Å; R150-Y154 WeakPolarHBondContact O-CD2 3.16Å; R150-Y154 PolarHBondContact O-N 3.48Å; S151-Y154 PolarHBondContact O-N 3.1Å; Y154-L157 PolarHBondContact O-N 3.06Å; Y154-N158 PolarHBondContact O-N 3.2Å
155E96Very high93.8Very high133 Ų13391 Ų9162%0.62149%0.491SS*.Hα-helixtrans-61.3-45.9176.2-74.4-176.5178.800111.8S151 S152 L157 N158 S159S151-E155 PolarHBondContact O-N 3.09Å; S152-E155 PolarHBondContact O-N 2.95Å; E155-L157 VanDerWaalsContact C-N 3.34Å; E155-L157 PolarHBondContact O-N 2.86Å; E155-N158 PolarHBondContact O-N 3.1Å; E155-S159 PolarHBondContact O-N 3.29Å
156R96.3Very high93.1Very high171 Ų17191 Ų9165%0.64550%0.5SS*.Hα-helixtrans-62.7-41.9178-69.5-175.1102.2-133.61.1111.4S152 I153 N158 S159 L160S152-R156 WeakPolarHBondContact O-CB 3.32Å; S152-R156 VanDerWaalsContact O-CG 3.27Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.37Å; I153-R156 PolarHBondContact O-N 3.17Å; R156-N158 PolarHBondContact O-N 3.21Å; R156-S159 PolarHBondContact O-N 3.23Å; R156-S159 PolarHBondContact O-OG 3.46Å; R156-L160 WeakPolarHBondContact O-CG 3.29Å; R156-L160 PolarHBondContact O-N 3.39Å
157L96.4Very high92.3Very high94 Ų9490.1 Ų90.149%0.49250%0.501SS..Hα-helixtrans-61.2-44.5177-170.1149.6000111.5I153 Y154 E155 L160 T161I153-L157 WeakPolarHBondContact O-CB 3.49Å; I153-L157 PolarHBondContact O-N 3.47Å; Y154-L157 PolarHBondContact O-N 3.06Å; E155-L157 VanDerWaalsContact C-N 3.34Å; E155-L157 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.46Å; L157-T161 WeakPolarHBondContact O-CB 3.47Å; L157-T161 PolarHBondContact O-N 3.45Å; L157-T161 PolarHBondContact O-OG1 2.94Å
158N95Very high91.3Very high103 Ų10390.7 Ų90.755%0.55151%0.51SS*.Hα-helixtrans-64-41.8177.5-72-6.7000112.1Y154 E155 R156 T161 S162Y154-N158 PolarHBondContact O-N 3.2Å; E155-N158 PolarHBondContact O-N 3.1Å; R156-N158 PolarHBondContact O-N 3.21Å; N158-T161 PolarHBondContact O-N 3.31Å; N158-S162 PolarHBondContact O-N 3.35Å; N158-S162 PolarHBondContact O-OG 2.86Å
159S93.6Very high89.9Confident62 Ų6292.1 Ų92.143%0.43452%0.518SS..Hα-helixtrans-65-39.5177.374.50000113E155 R156 S162 A163E155-S159 PolarHBondContact O-N 3.29Å; R156-S159 PolarHBondContact O-N 3.23Å; R156-S159 PolarHBondContact O-OG 3.46Å; S159-S162 PolarHBondContact O-OG 3.3Å; S159-A163 VanDerWaalsContact O-CB 3.23Å; S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 2.84Å
160L93.7Very high88.4Confident117 Ų11792.2 Ų92.261%0.61352%0.522SS*.Hα-helixtrans-70.7-36176.6-72171.1000111.3R156 L157 A164R156-L160 WeakPolarHBondContact O-CG 3.29Å; R156-L160 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 3.46Å; L160-A164 WeakPolarHBondContact O-CB 3.43Å; L160-A164 PolarHBondContact O-N 2.95Å
161T93.7Very high86.7Confident85 Ų8590.9 Ų90.952%0.52153%0.533SS..Hα-helixtrans-65.5-44.7176.7-56.60000111.1L157 N158 A165L157-T161 WeakPolarHBondContact O-CB 3.47Å; L157-T161 PolarHBondContact O-N 3.45Å; L157-T161 PolarHBondContact O-OG1 2.94Å; N158-T161 PolarHBondContact O-N 3.31Å; T161-A165 WeakPolarHBondContact O-CB 3.28Å; T161-A165 PolarHBondContact O-N 3.01Å
162S89.7Confident84.9Confident74 Ų7492.3 Ų92.352%0.51754%0.542SS..Hα-helixtrans-69.1-39.6176.663.60000112.5N158 S159 A165 A166N158-S162 PolarHBondContact O-N 3.35Å; N158-S162 PolarHBondContact O-OG 2.86Å; S159-S162 PolarHBondContact O-OG 3.3Å; S162-A165 PolarHBondContact O-N 3.02Å; S162-A166 PolarHBondContact O-N 3.29Å
163A87.6Confident83Confident54 Ų5497.3 Ų97.345%0.44656%0.56SS.*Hα-helixtrans-65-40.617500000112.3S159 A166 A167S159-A163 VanDerWaalsContact O-CB 3.23Å; S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 2.84Å; A163-A166 PolarHBondContact O-N 3.39Å; A163-A167 WeakPolarHBondContact O-CB 3.5Å; A163-A167 PolarHBondContact O-N 2.96Å
164A86.5Confident80.4Confident57 Ų57101 Ų10147%0.47158%0.575SS.*Hα-helixtrans-63.4-43174.100000111.3L160 A166 A167 V168L160-A164 WeakPolarHBondContact O-CB 3.43Å; L160-A164 PolarHBondContact O-N 2.95Å; A164-A166 VanDerWaalsContact C-N 3.33Å; A164-A166 PolarHBondContact O-N 2.97Å; A164-A167 PolarHBondContact O-N 3.32Å; A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.43Å; A164-V168 PolarHBondContact O-N 3.3Å
165A84.2Confident78.2Confident58 Ų58102.4 Ų102.448%0.47959%0.587SS.*Hα-helixtrans-60.4-41.3174.200000112.2T161 S162 L169T161-A165 WeakPolarHBondContact O-CB 3.28Å; T161-A165 PolarHBondContact O-N 3.01Å; S162-A165 PolarHBondContact O-N 3.02Å; A165-L169 PolarHBondContact O-N 3.45Å
166A79.8Confident75.7Confident51 Ų51101.5 Ų101.542%0.42159%0.592SS.*Hα-helixtrans-66.8-41.6175.300000112.7S162 A163 A164 V168 L169 V170S162-A166 PolarHBondContact O-N 3.29Å; A163-A166 PolarHBondContact O-N 3.39Å; A164-A166 VanDerWaalsContact C-N 3.33Å; A164-A166 PolarHBondContact O-N 2.97Å; A166-V168 VanDerWaalsContact C-N 3.34Å; A166-V168 PolarHBondContact O-N 2.75Å; A166-L169 PolarHBondContact O-N 3.48Å; A166-V170 PolarHBondContact O-N 3.38Å
167A76.2Confident72.9Confident56 Ų56101.6 Ų101.646%0.46360%0.604SS.*Hα-helixtrans-64.6-36.8178.300000112.6A163 A164 L169 V170 S171A163-A167 WeakPolarHBondContact O-CB 3.5Å; A163-A167 PolarHBondContact O-N 2.96Å; A164-A167 PolarHBondContact O-N 3.32Å; A167-L169 VanDerWaalsContact C-N 3.32Å; A167-L169 PolarHBondContact O-N 3.03Å; A167-V170 PolarHBondContact O-N 3.38Å; A167-S171 PolarHBondContact O-N 3.28Å
168V74.5Confident70.5Confident99 Ų99105.7 Ų105.760%0.662%0.623SS**Hα-helixtrans-62.2-38.5174.6169.80000111.6A164 A166 S172A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.43Å; A164-V168 PolarHBondContact O-N 3.3Å; A166-V168 VanDerWaalsContact C-N 3.34Å; A166-V168 PolarHBondContact O-N 2.75Å; V168-S172 PolarHBondContact O-N 2.96Å; V168-S172 PolarHBondContact O-OG 2.97Å
169L67.7Low68.2Low130 Ų130107.4 Ų107.468%0.68164%0.637SS**Hα-helixtrans-66.6-38.2175.9-72.8167000112.6A165 A166 A167A165-L169 PolarHBondContact O-N 3.45Å; A166-L169 PolarHBondContact O-N 3.48Å; A167-L169 VanDerWaalsContact C-N 3.32Å; A167-L169 PolarHBondContact O-N 3.03Å
170V62.4Low65.5Low111 Ų111108.8 Ų108.867%0.67365%0.652SS**Hα-helixtrans-71.8-42.2179.7176.20000112.1A166 A167 S172 Q173A166-V170 PolarHBondContact O-N 3.38Å; A167-V170 PolarHBondContact O-N 3.38Å; V170-S172 PolarHBondContact O-N 3.48Å; V170-Q173 PolarHBondContact O-N 3.5Å
171S59.3Low63.1Low100 Ų100109.2 Ų109.270%0.69966%0.662SS**Hα-helixtrans-65-21.1178.5-77.10000113.8A167 Q173A167-S171 PolarHBondContact O-N 3.28Å; S171-Q173 PolarHBondContact O-N 3.34Å
172S61.1Low60.4Low89 Ų89113.1 Ų113.162%0.62268%0.679SS**THydrogen-bonded Turntrans-75.7-9.3178.2-55.10000113.4V168 V170V168-S172 PolarHBondContact O-N 2.96Å; V168-S172 PolarHBondContact O-OG 2.97Å; V170-S172 PolarHBondContact O-N 3.48Å
173Q55.3Low58.2Low160 Ų160113.3 Ų113.375%0.74869%0.685SS**THydrogen-bonded Turntrans-99.7-0.1-178.4-75.7-74.2-60.200114.4V170 S171 E175V170-Q173 PolarHBondContact O-N 3.5Å; S171-Q173 PolarHBondContact O-N 3.34Å; Q173-E175 VanDerWaalsContact C-N 3.3Å; Q173-E175 PolarHBondContact O-N 3.29Å
174Q43.6Very low56.1Low175 Ų175119.2 Ų119.282%0.81871%0.705SS**  trans-8182.5170.2-168.7156.2-30.500109.9P176Q174-P176 WeakPolarHBondContact O-CD 3.4Å
175E49.5Very low54.2Low172 Ų172120.8 Ų120.880%0.80472%0.719SS**  trans-63.6123.9167.8-76.2-168.1120.200109.8Q173 L177Q173-E175 VanDerWaalsContact C-N 3.3Å; Q173-E175 PolarHBondContact O-N 3.29Å; E175-L177 PolarHBondContact O-N 3.44Å
176P43.2Very low52.6Low114 Ų114123.7 Ų123.774%0.7473%0.732SS**  trans-64.3125.2169.524.1-29.3000109.5Q174 M178Q174-P176 WeakPolarHBondContact O-CD 3.4Å; P176-M178 PolarHBondContact O-N 3.36Å
177L37.7Very low50.7Low172 Ų172126.8 Ų126.890%0.90175%0.748SS**  trans-49.7105.4178.6-62.7176.1000111E175 V179E175-L177 PolarHBondContact O-N 3.44Å; L177-V179 PolarHBondContact O-N 2.94Å
178M46.2Very low48.9Very low181 Ų181132.5 Ų132.589%0.89277%0.767SS**PPolyproline II helixtrans-63.3124.2174.9-74.1-92.6-80.300110P176 A180P176-M178 PolarHBondContact O-N 3.36Å; M178-A180 PolarHBondContact O-N 3.39Å
179V46.7Very low47Very low138 Ų138133.5 Ų133.584%0.83677%0.774SS**PPolyproline II helixtrans-59.8124.5172.5178.20000109.3L177L177-V179 PolarHBondContact O-N 2.94Å
180A38.1Very low45.7Very low91 Ų91132.8 Ų132.875%0.75278%0.777SS**PPolyproline II helixtrans-62.2142.2177.300000112.7M178M178-A180 PolarHBondContact O-N 3.39Å
181P41.5Very low44.3Very low126 Ų126134.4 Ų134.482%0.81878%0.782SS**  trans-111.7126.5143.826.9-12.8000111.2
182L38.8Very low43.3Very low168 Ų168133.7 Ų133.788%0.8878%0.782SS**  trans-51153.9171.3-165.370.4000114.9
183A42.3Very low42.3Very low77 Ų77134.7 Ų134.764%0.63679%0.786SS**  trans102.1105.7144.600000119.1
184M43.4Very low41.3Very low178 Ų178134.6 Ų134.688%0.87779%0.79SS**  142.286.4120.9-72.1-53.3-163.900108.9
185A46Very low40.6Very low91 Ų91134.4 Ų134.475%0.75279%0.794SS**  104.5141.583.800000111.1
186P51.2Low39.9Very low118 Ų118132 Ų13277%0.76679%0.791SS**  trans-103174.6-155.439.9-31.4000113.4
187P40.4Very low39.2Very low117 Ų117134.6 Ų134.676%0.7679%0.793SS**  -148.2149.2107.135.3-17.4000116.9
188M37.6Very low39Very low175 Ų175131.6 Ų131.686%0.86278%0.784SS**  trans69.2113.8141.9-136.3827900122.4
189V35.1Very low38.6Very low121 Ų121128.8 Ų128.873%0.73378%0.779SS**  trans-50.5157.4155.1-129.50000112.4
190P40.2Very low37.8Very low115 Ų115127.4 Ų127.475%0.74777%0.773SS**  -147.5149.17036.3-15.5000117.6
191N33.9Very low37.6Very low144 Ų144130.9 Ų130.977%0.7778%0.778SS**  trans67.4109.7136.1-78.3-3.3000123.5
192A38.1Very low37Very low86 Ų86133.6 Ų133.671%0.71178%0.78SS**  86.3159.1109.500000118.2
193P40.6Very low37Very low110 Ų110130.5 Ų130.571%0.71477%0.77SS**  -127.2141.6-115.434.4-15.6000113.5
194L33.3Very low36.6Very low157 Ų157132.7 Ų132.782%0.82277%0.771SS**  trans-117.178.4173.3-84.2-88.7000109.4V196L194-V196 HydrophobicContact CD1-CG2 3.95Å
195L28.5Very low36Very low171 Ų171130.5 Ų130.590%0.89576%0.762SS**  trans-73.3108.9145.5-104.6163.3000106.2
196V35.5Very low35Very low122 Ų122133 Ų13374%0.73976%0.762SS**  trans-134.7119162.7177.20000108.7L194L194-V196 HydrophobicContact CD1-CG2 3.95Å
197Q28.4Very low34.2Very low168 Ų168134.5 Ų134.579%0.78576%0.763SS**PPolyproline II helixtrans-61.3162176.6-76-168.65.900114.3
198P32.7Very low33.5Very low109 Ų109134.9 Ų134.971%0.70876%0.762SS**PPolyproline II helixtrans-68.9159.3164.230.9-33.9000112.5
199P39.2Very low33.4Very low123 Ų123132 Ų13280%0.79976%0.757SS**PPolyproline II helixtrans-76.3151.4-167.430.4-33.9000113.4
200P28.2Very low33.6Very low108 Ų108131.2 Ų131.270%0.70175%0.754SS**PPolyproline II helixtrans-96169.3-179.135.8-25.7000112.1
201L35.1Very low33.3Very low164 Ų164133.4 Ų133.486%0.85976%0.755SS**  166.7109.4118.5-79.8-177.2000110.7
202E29.6Very low33.1Very low183 Ų183135.1 Ų135.186%0.85576%0.758SS**  trans-58178.1149-56.9-171.1116.500110.1
203P38.6Very low33Very low103 Ų103136.6 Ų136.667%0.66976%0.76SS**  cis-144.5-178.532.233.6-5000112.6
204D33.3Very low32.9Very low124 Ų124139.4 Ų139.466%0.66377%0.768SS**  -175133.262.1-98.7-44.7000110.8
205L31.1Very low32.9Very low132 Ų132140.1 Ų140.169%0.69177%0.77SS**  68.4113.1126.6-53.6174.2000119.1
206L24.3Very low33.2Very low142 Ų142136.5 Ų136.574%0.74376%0.764SS**  99.7148.358.9-88.3-166.9000113.1
207L34.1Very low33.5Very low151 Ų151136.1 Ų136.179%0.79176%0.764SS**  trans83.9106.6174-81.780.7000115.9
208V26.5Very low33.9Very low124 Ų124133.6 Ų133.675%0.75276%0.763SS**  cis61.4130.943.7-166.30000110.2
209P36.2Very low34.4Very low114 Ų114134.6 Ų134.674%0.7477%0.769SS**  cis-150.1-151.343.645.3-20.8000115
210P37.3Very low34.3Very low105 Ų105137.5 Ų137.568%0.68277%0.772SS**  -129.3-167.8-106.938.8-15.4000114.6
211E34.3Very low34.9Very low162 Ų162137.7 Ų137.776%0.75777%0.773SS**  trans139.492.9144.1-69.7-70.994.200114
212Q30.3Very low35.3Very low180 Ų180135.8 Ų135.884%0.84177%0.77SS**  trans30.6154.1132.7-67.1-156.5-17.900125.4
213P35Very low35.9Very low116 Ų116136 Ų13675%0.75377%0.774SS**  trans-112.6152.1-147.728.3-9.8000115.6
214L38.8Very low36.1Very low170 Ų170137.2 Ų137.289%0.8978%0.779SS**  trans-127.1109170.8-94.2164.9000112.3
215M33Very low36.4Very low172 Ų172136.8 Ų136.885%0.84778%0.783SS**  trans29.2110.1152.9-82.4-179.56600119.6
216A36.2Very low36.6Very low95 Ų95135.3 Ų135.379%0.78578%0.782SS**PPolyproline II helixtrans-72.5136.4155.500000110.9
217P40.9Very low37.1Very low114 Ų114137.6 Ų137.674%0.7479%0.786SS**PPolyproline II helixtrans-76.4157.8173.931.9-32.9000112
218P37.9Very low36.9Very low115 Ų115135.1 Ų135.175%0.74779%0.787SS**PPolyproline II helixtrans-77.5156-164.731.6-35000113.9
219P41.8Very low37.3Very low130 Ų130137.1 Ų137.184%0.84479%0.79SS**PPolyproline II helixtrans-77.7125.2-176.629.8-32.8000112.6
220E38.4Very low36.9Very low183 Ų183136.2 Ų136.286%0.85579%0.793SS**PPolyproline II helixtrans-75.7142.3170.1-71.6-177.7168.300111.4
221P39.6Very low37Very low113 Ų113137 Ų13773%0.73480%0.797SS**PPolyproline II helixtrans-74.7150.4-17029.3-34.9000113.5M223P221-M223 PolarHBondContact O-N 2.95Å
222P44.3Very low37.1Very low123 Ų123134.9 Ų134.980%0.79980%0.798SS**PPolyproline II helixtrans-71.9123.6-175.528.5-33.3000111.9V224P222-V224 PolarHBondContact O-N 3.44Å
223M41.7Very low37Very low187 Ų187135.2 Ų135.292%0.92180%0.801SS**PPolyproline II helixtrans-65.8116.7169.4-77.8-174.3-68.800110.4P221P221-M223 PolarHBondContact O-N 2.95Å
224V43Very low37Very low130 Ų130138.1 Ų138.179%0.78881%0.81SS**PPolyproline II helixtrans-78.8121.7171.9-173.30000108.9P222P222-V224 PolarHBondContact O-N 3.44Å
225P39.7Very low36.8Very low114 Ų114134.2 Ų134.274%0.7480%0.802SS**PPolyproline II helixtrans-78139.4168.830.3-30.3000110.3
226P35Very low36.6Very low102 Ų102133.9 Ų133.966%0.66280%0.804SS**PPolyproline II helixtrans-90158.1-171.936.4-34.9000113.2
227F35.8Very low36.4Very low189 Ų189135 Ų13583%0.82980%0.801SS**  trans85.375.8168.1-59.9-75.9000117.8
228A30.4Very low35.8Very low100 Ų100135.2 Ų135.283%0.82680%0.802SS**  trans-74.9110.714400000109.1
229M35Very low35.7Very low166 Ų166135.5 Ų135.582%0.81880%0.801SS**  trans-112.7106.6158.7-78.9-91.674.200107.2
230A27.4Very low35.1Very low95 Ų95136.8 Ų136.879%0.78580%0.8SS**  trans-85.8142174.200000110.7
231P38.9Very low34.9Very low120 Ų120132.6 Ų132.678%0.77979%0.787SS**  trans-118.7168.414633.7-19.6000111.1
232P36.6Very low34.5Very low118 Ų118132.1 Ų132.177%0.76678%0.784SS**  trans-99.6144.2-134.335.6-34.6000115.8
233M27.4Very low33.9Very low187 Ų187135.3 Ų135.392%0.92179%0.788SS**  trans26.896130.9-60-66.615600117.2
234L35.8Very low33.3Very low177 Ų177130 Ų13093%0.92777%0.773SS**  trans-117.4132.9145.5-106.6164.5000107.9
235A33.3Very low32.7Very low88 Ų88130.9 Ų130.973%0.72777%0.773SS**  trans-58.2148.8-160.900000114.8V237A235-V237 PolarHBondContact O-N 3.28Å
236D29Very low32.3Very low165 Ų165133.8 Ų133.888%0.88278%0.781SS**  trans-40.9111.5174.9-70.1-73.5000113.8
237V32.4Very low32Very low119 Ų119132.9 Ų132.972%0.72178%0.783SS**  trans-119.7118147.2179.90000105.6A235 V239A235-V237 PolarHBondContact O-N 3.28Å; V237-V239 PolarHBondContact O-N 3.41Å
238P29.6Very low31.6Very low119 Ų119128.5 Ų128.577%0.77378%0.781SS**  trans-66.4100.2178.727.4-31.5000107.7L240P238-L240 VanDerWaalsContact C-N 3.25Å; P238-L240 PolarHBondContact O-N 3.01Å
239V34.3Very low31.6Very low120 Ų120128.5 Ų128.573%0.72778%0.781SS**  trans-65.398.3162.9-177.70000105.1V237 V241V237-V239 PolarHBondContact O-N 3.41Å; V239-V241 HydrophobicContact CB-CG2 4.44Å; V239-V241 HydrophobicContact CG1-CG2 3.6Å; V239-V241 PolarHBondContact O-N 3.43Å
240L29.8Very low31.3Very low158 Ų158123.9 Ų123.983%0.82778%0.776SS**  trans-64.872.9166.9-171.278000107.6P238 P242P238-L240 VanDerWaalsContact C-N 3.25Å; P238-L240 PolarHBondContact O-N 3.01Å; L240-P242 VanDerWaalsContact O-CD 3.29Å; L240-P242 WeakPolarHBondContact O-CD 3.23Å
241V33.2Very low31.2Very low94 Ų94128.2 Ų128.257%0.5778%0.78SS**  trans-68116.8161.6-177.60000104.9V239 H243V239-V241 HydrophobicContact CB-CG2 4.44Å; V239-V241 HydrophobicContact CG1-CG2 3.6Å; V239-V241 PolarHBondContact O-N 3.43Å; V241-H243 PolarHBondContact O-N 2.78Å
242P32.1Very low30.8Very low103 Ų103128.8 Ų128.867%0.66978%0.784SS**  trans-63.6104.6175.9-13.828.3000107.6L240 A244L240-P242 VanDerWaalsContact O-CD 3.29Å; L240-P242 WeakPolarHBondContact O-CD 3.23Å; P242-A244 PolarHBondContact O-N 2.82Å
243H31Very low30.3Very low191 Ų191131.1 Ų131.188%0.88479%0.789SS**THydrogen-bonded Turntrans-70.526.3175.6-122.676.9000112.7V241V241-H243 PolarHBondContact O-N 2.78Å
244A30Very low30.2Very low74 Ų74126.9 Ų126.961%0.61278%0.783SS**THydrogen-bonded Turntrans-115.1-1.7-170.800000114.8P242P242-A244 PolarHBondContact O-N 2.82Å
245L29.8Very low29.7Very low149 Ų149123.4 Ų123.478%0.7878%0.781SS**SBendtrans-92.9-4.7179.8-132.3105.7000115.2
246L31.3Very low29.4Very low175 Ų175123.8 Ų123.892%0.91678%0.784SS**SBendtrans-100-0.5175.8-117.5153.3000113.7
247A29Very low29.3Very low84 Ų84121 Ų12169%0.69478%0.784SS**SBendtrans-103.23.6-176.300000115
248A27.9Very low29.1Very low96 Ų96119.5 Ų119.579%0.79378%0.783SS**  trans-105.525.9-177.800000114.3
249A30.8Very low28.9Very low101 Ų101118 Ų11884%0.83579%0.79SS**  trans-107.857.9162.900000109.1
250G27Very low28.7Very low69 Ų69118.3 Ų118.371%0.71179%0.792SS**  trans-74.5134.6165.900000109.9
251E26.2Very low28.5Very low186 Ų186113.5 Ų113.587%0.86978%0.78SS**  trans-49.7140.1-179.4-57.5174111.500113.8
252P30.7Very low28.4Very low132 Ų132116.5 Ų116.586%0.85779%0.791SS**  trans-84.8112.2155.130.2-22.1000109.1
253L26.6Very low28.3Very low167 Ų167118.7 Ų118.787%0.87480%0.797SS**  trans-57.6148.9162.6-154.681.2000110.9
254A24.6Very low28.6Very low97 Ų97117.6 Ų117.680%0.80279%0.793SS**  trans-46.1137.5-17900000117.9
255A25.5Very low28.8Very low105 Ų105121 Ų12187%0.86880%0.801SS**  trans159.3132.7142.400000106.2
256A26.9Very low29.3Very low96 Ų96120.4 Ų120.479%0.79380%0.798SS**  cis-155.3155.228.900000109.5A258A256-A258 PolarHBondContact O-N 2.67Å
257A25.6Very low29.5Very low107 Ų107115.2 Ų115.288%0.88479%0.787SS**  trans-56.4125.517000000112.1
258A29.9Very low30Very low86 Ų86118.5 Ų118.571%0.71179%0.786SS**  trans-148.4105.2148.900000106.2A256 V260A256-A258 PolarHBondContact O-N 2.67Å; A258-V260 PolarHBondContact O-N 3.3Å
259G24.8Very low30.5Very low88 Ų88117.7 Ų117.791%0.90777%0.773SS**  trans-58.4111.7173.300000109.2
260V29.2Very low31.1Very low127 Ų127124.3 Ų124.377%0.7778%0.776SS**  trans-114.8115.8164.1175.80000105.3A258A258-V260 PolarHBondContact O-N 3.3Å
261G26.1Very low32.2Very low57 Ų57127.8 Ų127.859%0.58878%0.778SS**  trans-51.4143.8-172.300000112.6N263G261-N263 VanDerWaalsContact C-N 3.28Å; G261-N263 PolarHBondContact O-N 3.25Å
262I30.7Very low33.7Very low156 Ų156120.5 Ų120.580%0.875%0.753SS**  trans-61.697.4163.2-55.6172.9000105.3E264I262-E264 HydrophobicContact CG2-CG 3.77Å; I262-E264 PolarHBondContact O-N 2.85Å
263N31.5Very low35.3Very low149 Ų149115.7 Ų115.780%0.79772%0.723SS**  trans-71.492.1162.9-73.1-59.1000106G261 D265G261-N263 VanDerWaalsContact C-N 3.28Å; G261-N263 PolarHBondContact O-N 3.25Å; N263-D265 PolarHBondContact O-N 2.82Å
264E36.4Very low37.5Very low169 Ų169114.9 Ų114.979%0.7971%0.709SS**  trans-68.873.9157.5-63.2-176.8120.400107.4I262I262-E264 HydrophobicContact CG2-CG 3.77Å; I262-E264 PolarHBondContact O-N 2.85Å
265D35.2Very low40Very low145 Ų145113.9 Ų113.978%0.77569%0.69SS**  trans-121.782.7159.2-149.1-86.6000106.4N263 G267N263-D265 PolarHBondContact O-N 2.82Å; D265-G267 PolarHBondContact O-N 3.06Å
266D38.4Very low42.5Very low137 Ų137111.1 Ų111.173%0.73366%0.66SS**  trans-61.586.1167.1-74-65.7000107.9F268D266-F268 PolarHBondContact O-N 3.15Å
267G36.6Very low44.8Very low66 Ų66112.4 Ų112.468%0.6865%0.65SS**  trans-64.573.6169.700000110.4D265 P269D265-G267 PolarHBondContact O-N 3.06Å; G267-P269 WeakPolarHBondContact O-CD 3.19Å
268F39.8Very low47.3Very low152 Ų152109.9 Ų109.967%0.66762%0.623SS**  trans-90.9101.7175-124.6-89.6000108.1D266 R270D266-F268 PolarHBondContact O-N 3.15Å; F268-R270 PolarHBondContact O-N 3.48Å
269P38.3Very low49.7Very low79 Ų79105.9 Ų105.951%0.51359%0.59SS.*  trans-68.2105.3172.925.9-33.1000109.6G267 N271 S273G267-P269 WeakPolarHBondContact O-CD 3.19Å; P269-N271 PolarHBondContact O-N 3.17Å; P269-S273 WeakPolarHBondContact CB-OG 3.27Å; P269-S273 WeakPolarHBondContact CG-OG 3.27Å
270R44.2Very low52.4Low240 Ų240104.2 Ų104.291%0.90656%0.56SS**  trans-69.5-3173-68.6-178.1175.6-126-0.1113.5F268 G272F268-R270 PolarHBondContact O-N 3.48Å; R270-G272 PolarHBondContact O-N 2.7Å
271N49.7Very low54.7Low143 Ų143101.8 Ų101.877%0.76555%0.554SS**SBendtrans-97.259.3-170.4-64.9-7.3000111.6P269 S273P269-N271 PolarHBondContact O-N 3.17Å; N271-S273 PolarHBondContact O-N 2.74Å
272G56.5Low57.2Low33 Ų33102.9 Ų102.934%0.3455%0.546SS..SBendtrans58.61168.700000117.1R270 Y274 L275 L276R270-G272 PolarHBondContact O-N 2.7Å; G272-Y274 PolarHBondContact O-N 2.9Å; G272-Y274 VanDerWaalsContact O-N 3.17Å; G272-L275 WeakPolarHBondContact O-CB 3.36Å; G272-L275 PolarHBondContact O-N 3.39Å; G272-L276 PolarHBondContact O-N 3.37Å
273S65Low59.4Low31 Ų3198 Ų9822%0.21752%0.521CS..Hα-helixtrans-65.2-27.4-169.666.80000112.1P269 N271 L275 L276 E277P269-S273 WeakPolarHBondContact CB-OG 3.27Å; P269-S273 WeakPolarHBondContact CG-OG 3.27Å; N271-S273 PolarHBondContact O-N 2.74Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L276 CarbonylContact O-C 3.56Å; S273-L276 WeakPolarHBondContact O-CB 3.48Å; S273-L276 PolarHBondContact O-N 3.39Å; S273-E277 PolarHBondContact O-N 2.88Å
274Y71.7Confident61.5Low150 Ų15095.1 Ų95.159%0.58851%0.505SS*.Hα-helixtrans-64.6-37.7174-176.8-94.9000112.4G272 L276 E277 V278G272-Y274 PolarHBondContact O-N 2.9Å; G272-Y274 VanDerWaalsContact O-N 3.17Å; Y274-L276 VanDerWaalsContact C-N 3.29Å; Y274-E277 PolarHBondContact O-N 2.92Å; Y274-V278 HydrophobicContact CD1-CG2 4.01Å; Y274-V278 HydrophobicContact CE1-CG2 3.51Å; Y274-V278 HydrophobicContact CE2-CG2 4.22Å; Y274-V278 WeakPolarHBondContact O-CB 3.43Å; Y274-V278 VanDerWaalsContact O-CG2 3.26Å; Y274-V278 WeakPolarHBondContact O-CG2 3.36Å; Y274-V278 PolarHBondContact O-N 2.87Å
275L78.3Confident62.9Low75 Ų7593 Ų9339%0.39350%0.5SS..Hα-helixtrans-68.1-35.8175.6-67.1178000110.7G272 S273 A279 V299G272-L275 WeakPolarHBondContact O-CB 3.36Å; G272-L275 PolarHBondContact O-N 3.39Å; S273-L275 VanDerWaalsContact C-N 3.34Å; L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 3.19Å; L275-V299 HydrophobicContact CB-CG1 3.66Å; L275-V299 HydrophobicContact CB-CG2 4.12Å; L275-V299 HydrophobicContact CD1-CG1 3.89Å; L275-V299 HydrophobicContact CG-CG1 4.31Å
276L78.3Confident64.2Low47 Ų4789.2 Ų89.225%0.24649%0.494CS..Hα-helixtrans-66.5-43173.2-64.3167.8000111.6G272 S273 Y274 V278 A279 D280 A294 V299G272-L276 PolarHBondContact O-N 3.37Å; S273-L276 CarbonylContact O-C 3.56Å; S273-L276 WeakPolarHBondContact O-CB 3.48Å; S273-L276 PolarHBondContact O-N 3.39Å; Y274-L276 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 2.88Å; L276-A279 CarbonylContact O-C 3.55Å; L276-A279 PolarHBondContact O-N 3.31Å; L276-D280 WeakPolarHBondContact O-CB 3.3Å; L276-D280 PolarHBondContact O-N 3.25Å; L276-A294 VanDerWaalsContact CD2-O 3.31Å; L276-A294 WeakPolarHBondContact CD2-O 3.41Å; L276-V299 HydrophobicContact CD2-CG2 3.7Å; L276-V299 HydrophobicContact CG-CG2 4.29Å
277E75Confident65Low124 Ų12493.5 Ų93.558%0.57950%0.5SS*.Hα-helixtrans-63.6-40.2175.4-78.9-180177.400112.6S273 Y274 A281S273-E277 PolarHBondContact O-N 2.88Å; Y274-E277 PolarHBondContact O-N 2.92Å; E277-A281 WeakPolarHBondContact O-CB 3.43Å; E277-A281 PolarHBondContact O-N 3.21Å
278V77.6Confident65.8Low53 Ų5393.3 Ų93.332%0.32149%0.488SS..Hα-helixtrans-68-40.4175171.90000110.3Y274 L276 A281 I282Y274-V278 HydrophobicContact CD1-CG2 4.01Å; Y274-V278 HydrophobicContact CE1-CG2 3.51Å; Y274-V278 HydrophobicContact CE2-CG2 4.22Å; Y274-V278 WeakPolarHBondContact O-CB 3.43Å; Y274-V278 VanDerWaalsContact O-CG2 3.26Å; Y274-V278 WeakPolarHBondContact O-CG2 3.36Å; Y274-V278 PolarHBondContact O-N 2.87Å; L276-V278 PolarHBondContact O-N 2.88Å; V278-A281 PolarHBondContact O-N 3.48Å; V278-I282 HydrophobicContact CG1-CD1 3.73Å; V278-I282 HydrophobicContact CG1-CG1 4.48Å; V278-I282 WeakPolarHBondContact O-CD1 3.49Å; V278-I282 WeakPolarHBondContact O-CG1 3.45Å; V278-I282 PolarHBondContact O-N 2.96Å
279A80.8Confident66.6Low2 Ų290.2 Ų90.22%0.01750%0.499CS..Hα-helixtrans-66.1-42175.800000111.8L275 L276 A281 I282 L283 A294 V299 L302L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 3.19Å; L276-A279 CarbonylContact O-C 3.55Å; L276-A279 PolarHBondContact O-N 3.31Å; A279-A281 VanDerWaalsContact C-N 3.31Å; A279-A281 PolarHBondContact O-N 2.84Å; A279-I282 PolarHBondContact O-N 3.36Å; A279-I282 VanDerWaalsContact O-N 3.13Å; A279-L283 VanDerWaalsContact O-CB 3.32Å; A279-L283 WeakPolarHBondContact O-CB 3.39Å; A279-L283 VanDerWaalsContact O-CG 3.32Å; A279-L283 WeakPolarHBondContact O-CG 3.46Å; A279-L283 PolarHBondContact O-N 2.85Å; A279-A294 HydrophobicContact CB-CB 3.44Å; A279-A294 VanDerWaalsContact CB-CB 3.44Å; A279-V299 HydrophobicContact CB-CG2 3.8Å; A279-L302 HydrophobicContact CB-CD1 3.63Å
280D80.5Confident67.5Low53 Ų5394 Ų9428%0.28351%0.509SS..Hα-helixtrans-52.8-51170.7-90.418.3000109.8L276 I282 L283 D284 Q293 A294L276-D280 WeakPolarHBondContact O-CB 3.3Å; L276-D280 PolarHBondContact O-N 3.25Å; D280-I282 VanDerWaalsContact C-N 3.27Å; D280-I282 PolarHBondContact O-N 3.47Å; D280-L283 PolarHBondContact O-N 2.7Å; D280-D284 WeakPolarHBondContact O-CB 3.31Å; D280-D284 PolarHBondContact O-N 3.2Å; D280-Q293 WeakPolarHBondContact OD1-CA 3.3Å; D280-A294 WeakPolarHBondContact OD1-CB 3.39Å; D280-A294 PolarHBondContact OD1-N 2.74Å
281A78.1Confident68.2Low77 Ų7786.8 Ų86.864%0.63650%0.502SS*.Hα-helixtrans-66.9-25.2-178.900000114E277 V278 A279E277-A281 WeakPolarHBondContact O-CB 3.43Å; E277-A281 PolarHBondContact O-N 3.21Å; V278-A281 PolarHBondContact O-N 3.48Å; A279-A281 VanDerWaalsContact C-N 3.31Å; A279-A281 PolarHBondContact O-N 2.84Å
282I78.1Confident69Low80 Ų8083.5 Ų83.541%0.4149%0.487SS..Hα-helixtrans-84.2-38.9176.7-68.4164.9000111.1V278 A279 D280 L302V278-I282 HydrophobicContact CG1-CD1 3.73Å; V278-I282 HydrophobicContact CG1-CG1 4.48Å; V278-I282 WeakPolarHBondContact O-CD1 3.49Å; V278-I282 WeakPolarHBondContact O-CG1 3.45Å; V278-I282 PolarHBondContact O-N 2.96Å; A279-I282 PolarHBondContact O-N 3.36Å; A279-I282 VanDerWaalsContact O-N 3.13Å; D280-I282 VanDerWaalsContact C-N 3.27Å; D280-I282 PolarHBondContact O-N 3.47Å; I282-L302 HydrophobicContact CB-CD1 4.23Å; I282-L302 HydrophobicContact CD1-CD1 4.15Å; I282-L302 HydrophobicContact CG2-CD1 4.18Å; I282-L302 HydrophobicContact CG2-CD2 3.73Å
283L77.6Confident70Confident54 Ų5489.5 Ų89.528%0.28351%0.506SS..Hα-helixtrans-82.6-20.2-179.1-67.8-179.6000113.2A279 D280 D285 A294 D298A279-L283 VanDerWaalsContact O-CB 3.32Å; A279-L283 WeakPolarHBondContact O-CB 3.39Å; A279-L283 VanDerWaalsContact O-CG 3.32Å; A279-L283 WeakPolarHBondContact O-CG 3.46Å; A279-L283 PolarHBondContact O-N 2.85Å; D280-L283 PolarHBondContact O-N 2.7Å; L283-D285 VanDerWaalsContact C-N 3.28Å; L283-D285 PolarHBondContact O-N 2.89Å; L283-A294 HydrophobicContact CD1-CB 4.06Å; L283-D298 HydrophobicContact CD1-CB 3.71Å
284D76Confident70.7Confident87 Ų8788.6 Ų88.647%0.46550%0.5SS..  trans-7185.7172.8-172.618.6000110.2D280 G286D280-D284 WeakPolarHBondContact O-CB 3.31Å; D280-D284 PolarHBondContact O-N 3.2Å; D284-G286 PolarHBondContact O-N 2.98Å; D284-G286 VanDerWaalsContact O-N 3.09Å; D284-G286 PolarHBondContact OD1-N 3.26Å; D284-G286 VanDerWaalsContact OD1-N 3.17Å
285D64.5Low71.3Confident126 Ų12684.9 Ų84.967%0.67449%0.493SS*.  trans-70.95.4174.2-76.9-24.9000112.7L283 R287L283-D285 VanDerWaalsContact C-N 3.28Å; L283-D285 PolarHBondContact O-N 2.89Å; D285-R287 PolarHBondContact O-N 3Å
286G63.2Low71.6Confident64 Ų6486.7 Ų86.766%0.6650%0.503SS*.SBendtrans614.2179.800000114.6D284D284-G286 PolarHBondContact O-N 2.98Å; D284-G286 VanDerWaalsContact O-N 3.09Å; D284-G286 PolarHBondContact OD1-N 3.26Å; D284-G286 VanDerWaalsContact OD1-N 3.17Å
287R56.1Low71.9Confident228 Ų22889.1 Ų89.186%0.8652%0.516SS*.  trans-103-32.5-167.5-144.8-176.2-66-133.33.6112.5D285D285-R287 PolarHBondContact O-N 3Å
288S53.2Low72.3Confident62 Ų6285.1 Ų85.143%0.43450%0.499SS..SBendtrans-94.4111.1168.353.60000107.8H290S288-H290 PolarHBondContact O-N 2.98Å
289G56.8Low72.7Confident86 Ų8683 Ų8389%0.88749%0.486SS*.SBendtrans-64.423.5177.100000115.6
290H56.4Low73Confident158 Ų15884.4 Ų84.473%0.73149%0.493SS*.SBendtrans-116.2119.6169-71.364.4000107S288 V292S288-H290 PolarHBondContact O-N 2.98Å; H290-V292 PolarHBondContact O-N 2.93Å
291A59.8Low73.2Confident90 Ų9089 Ų8974%0.74451%0.507SS*.  trans-59.7107.5172.400000108.5Q293A291-Q293 PolarHBondContact O-N 3.35Å
292V65Low73.6Confident74 Ų7486.3 Ų86.345%0.44848%0.481SS..  trans-75.6108.4172.71790000106.1H290 A294H290-V292 PolarHBondContact O-N 2.93Å; V292-A294 PolarHBondContact O-N 3Å
293Q78Confident74Confident159 Ų15983.3 Ų83.374%0.74347%0.466SS*.  trans-71.3115.5169.8-79.7174.5-46.300108.4D280 A291D280-Q293 WeakPolarHBondContact OD1-CA 3.3Å; A291-Q293 PolarHBondContact O-N 3.35Å
294A80.1Confident74.4Confident11 Ų1187.3 Ų87.39%0.09148%0.477CS..  trans-55.2135.8171.100000109.5L276 A279 D280 L283 V292 D298L276-A294 VanDerWaalsContact CD2-O 3.31Å; L276-A294 WeakPolarHBondContact CD2-O 3.41Å; A279-A294 HydrophobicContact CB-CB 3.44Å; A279-A294 VanDerWaalsContact CB-CB 3.44Å; D280-A294 WeakPolarHBondContact OD1-CB 3.39Å; D280-A294 PolarHBondContact OD1-N 2.74Å; L283-A294 HydrophobicContact CD1-CB 4.06Å; V292-A294 PolarHBondContact O-N 3Å; A294-D298 HydrophobicContact CB-CB 4.33Å
295T84.5Confident74.8Confident72 Ų7288.6 Ų88.644%0.44248%0.48SS..  trans-96.1167174.264.10000110.5D297 D298 V299T295-D297 PolarHBondContact O-N 2.9Å; T295-D298 WeakPolarHBondContact CB-OD2 3.35Å; T295-D298 PolarHBondContact N-OD2 3.35Å; T295-D298 WeakPolarHBondContact O-CB 3.24Å; T295-D298 PolarHBondContact O-N 2.98Å; T295-D298 PolarHBondContact OG1-N 2.87Å; T295-D298 PolarHBondContact OG1-OD2 3.4Å; T295-V299 PolarHBondContact O-N 3.17Å; T295-V299 VanDerWaalsContact O-N 3.17Å
296D83.1Confident75.8Confident114 Ų11488.7 Ų88.761%0.6148%0.477SS*.Hα-helixtrans-58.9-32.4174-77.2-29000112.1D298 V299 D300D296-D298 VanDerWaalsContact C-N 3.33Å; D296-V299 PolarHBondContact O-N 3.03Å; D296-D300 PolarHBondContact O-N 2.99Å
297D85.1Confident76.6Confident97 Ų9788.6 Ų88.652%0.51948%0.476SS..Hα-helixtrans-70.2-29.5176.6-70.1-42.1000111.9T295 R301 K315T295-D297 PolarHBondContact O-N 2.9Å; D297-R301 WeakPolarHBondContact O-CB 3.37Å; D297-R301 PolarHBondContact O-N 3.35Å; D297-K315 IonicContact OD1-NZ 3.83Å; D297-K315 PolarHBondContact OD1-NZ 3.33Å
298D84.7Confident77.9Confident40 Ų4081.3 Ų81.321%0.21445%0.454CS..Hα-helixtrans-69.5-41.4173.6-67.1-52.1000111.9L283 A294 T295 D296 R301 L302L283-D298 HydrophobicContact CD1-CB 3.71Å; A294-D298 HydrophobicContact CB-CB 4.33Å; T295-D298 WeakPolarHBondContact CB-OD2 3.35Å; T295-D298 PolarHBondContact N-OD2 3.35Å; T295-D298 WeakPolarHBondContact O-CB 3.24Å; T295-D298 PolarHBondContact O-N 2.98Å; T295-D298 PolarHBondContact OG1-N 2.87Å; T295-D298 PolarHBondContact OG1-OD2 3.4Å; D296-D298 VanDerWaalsContact C-N 3.33Å; D298-R301 WeakPolarHBondContact O-CB 3.5Å; D298-R301 PolarHBondContact O-N 3.35Å; D298-L302 WeakPolarHBondContact O-CG 3.5Å; D298-L302 PolarHBondContact O-N 2.97Å
299V84.8Confident79.2Confident10 Ų1083.3 Ų83.36%0.06146%0.456CS..Hα-helixtrans-59.6-48.6173172.50000110L275 L276 A279 T295 D296 R301 L302 L303L275-V299 HydrophobicContact CB-CG1 3.66Å; L275-V299 HydrophobicContact CB-CG2 4.12Å; L275-V299 HydrophobicContact CD1-CG1 3.89Å; L275-V299 HydrophobicContact CG-CG1 4.31Å; L276-V299 HydrophobicContact CD2-CG2 3.7Å; L276-V299 HydrophobicContact CG-CG2 4.29Å; A279-V299 HydrophobicContact CB-CG2 3.8Å; T295-V299 PolarHBondContact O-N 3.17Å; T295-V299 VanDerWaalsContact O-N 3.17Å; D296-V299 PolarHBondContact O-N 3.03Å; V299-R301 VanDerWaalsContact C-N 3.29Å; V299-R301 PolarHBondContact O-N 2.99Å; V299-L302 PolarHBondContact O-N 3.02Å; V299-L303 HydrophobicContact CG1-CD1 3.88Å; V299-L303 HydrophobicContact CG1-CG 4.29Å; V299-L303 WeakPolarHBondContact O-CB 3.23Å; V299-L303 VanDerWaalsContact O-CG 3.24Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.46Å
300D86.9Confident80.3Confident31 Ų3184.4 Ų84.417%0.16645%0.45CS..Hα-helixtrans-58.7-41.9177.5-81.1-3.2000111.6D296 L303 R304 I312D296-D300 PolarHBondContact O-N 2.99Å; D300-L303 PolarHBondContact O-N 3.15Å; D300-R304 WeakPolarHBondContact O-CG 3.34Å; D300-R304 PolarHBondContact O-N 3.48Å; D300-I312 HydrophobicContact CB-CD1 4.43Å
301R86.3Confident81.2Confident150 Ų15083.3 Ų83.357%0.56644%0.443SS*.Hα-helixtrans-61.3-49.9175.7-179.8-178.1168.6-166.9-6.7111.9D297 D298 V299 L303 R304 E305D297-R301 WeakPolarHBondContact O-CB 3.37Å; D297-R301 PolarHBondContact O-N 3.35Å; D298-R301 WeakPolarHBondContact O-CB 3.5Å; D298-R301 PolarHBondContact O-N 3.35Å; V299-R301 VanDerWaalsContact C-N 3.29Å; V299-R301 PolarHBondContact O-N 2.99Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.36Å; R301-R304 PolarHBondContact O-N 3.3Å; R301-R304 VanDerWaalsContact O-N 3.15Å; R301-E305 IonicContact CZ-OE1 3.76Å; R301-E305 IonicContact NE-OE1 3.68Å; R301-E305 PolarHBondContact NE-OE1 3.48Å; R301-E305 IonicContact NH2-OE1 3.47Å; R301-E305 PolarHBondContact NH2-OE1 3.02Å; R301-E305 VanDerWaalsContact NH2-OE1 3.1Å; R301-E305 WeakPolarHBondContact O-CG 3.32Å; R301-E305 PolarHBondContact O-N 3Å
302L85.9Confident82.1Confident20 Ų2080.4 Ų80.411%0.10542%0.415CS..Hα-helixtrans-61.7-38.9178.4-74.6171.9000111.8A279 I282 D298 V299 R304 E305 H306A279-L302 HydrophobicContact CB-CD1 3.63Å; I282-L302 HydrophobicContact CB-CD1 4.23Å; I282-L302 HydrophobicContact CD1-CD1 4.15Å; I282-L302 HydrophobicContact CG2-CD1 4.18Å; I282-L302 HydrophobicContact CG2-CD2 3.73Å; D298-L302 WeakPolarHBondContact O-CG 3.5Å; D298-L302 PolarHBondContact O-N 2.97Å; V299-L302 PolarHBondContact O-N 3.02Å; L302-R304 VanDerWaalsContact C-N 3.35Å; L302-R304 PolarHBondContact O-N 3.1Å; L302-E305 PolarHBondContact O-N 3.37Å; L302-H306 PolarHBondContact O-CD2 2.99Å; L302-H306 VanDerWaalsContact O-CD2 3.29Å; L302-H306 PolarHBondContact O-N 3.14Å
303L85.4Confident82.6Confident16 Ų1684.9 Ų84.98%0.08443%0.428CS..Hα-helixtrans-63-40175-70.8173.8000111.5V299 D300 R301 G307 L308 F311 I312V299-L303 HydrophobicContact CG1-CD1 3.88Å; V299-L303 HydrophobicContact CG1-CG 4.29Å; V299-L303 WeakPolarHBondContact O-CB 3.23Å; V299-L303 VanDerWaalsContact O-CG 3.24Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.46Å; D300-L303 PolarHBondContact O-N 3.15Å; R301-L303 VanDerWaalsContact C-N 3.3Å; R301-L303 PolarHBondContact O-N 3.36Å; L303-G307 PolarHBondContact O-N 3.24Å; L303-L308 HydrophobicContact CB-CB 4.34Å; L303-L308 HydrophobicContact CD2-CB 3.73Å; L303-L308 HydrophobicContact CD2-CD1 4.09Å; L303-L308 CarbonylContact O-C 3.57Å; L303-L308 WeakPolarHBondContact O-CA 3.32Å; L303-L308 PolarHBondContact O-N 2.56Å; L303-F311 HydrophobicContact CD1-CB 4.07Å; L303-F311 HydrophobicContact CD2-CB 4.23Å; L303-I312 HydrophobicContact CB-CD1 4.32Å; L303-I312 HydrophobicContact CB-CG1 4.03Å; L303-I312 HydrophobicContact CD1-CG1 3.96Å
304R87.1Confident82.2Confident139 Ų13983.2 Ų83.253%0.52543%0.431SS..Hα-helixtrans-66.4-47.3173.7-67.1-177.6-168.5-97.42.2112.5D300 R301 L302 H306 G307 E309 I312D300-R304 WeakPolarHBondContact O-CG 3.34Å; D300-R304 PolarHBondContact O-N 3.48Å; R301-R304 PolarHBondContact O-N 3.3Å; R301-R304 VanDerWaalsContact O-N 3.15Å; L302-R304 VanDerWaalsContact C-N 3.35Å; L302-R304 PolarHBondContact O-N 3.1Å; R304-H306 PolarHBondContact O-N 2.72Å; R304-G307 PolarHBondContact O-N 3.27Å; R304-E309 HydrophobicContact CB-CG 4.44Å; R304-E309 HydrophobicContact CG-CG 4.05Å; R304-E309 WeakPolarHBondContact CG-OE1 3.33Å; R304-E309 IonicContact NH1-OE1 3.08Å; R304-E309 PolarHBondContact NH1-OE1 3.17Å; R304-I312 HydrophobicContact CG-CD1 3.64Å
305E85.1Confident81.7Confident113 Ų11389.7 Ų89.753%0.52846%0.458SS..Hα-helixtrans-58.1-33.8-179.6-74.7-179-17400111.9R301 L302R301-E305 IonicContact CZ-OE1 3.76Å; R301-E305 IonicContact NE-OE1 3.68Å; R301-E305 PolarHBondContact NE-OE1 3.48Å; R301-E305 IonicContact NH2-OE1 3.47Å; R301-E305 PolarHBondContact NH2-OE1 3.02Å; R301-E305 VanDerWaalsContact NH2-OE1 3.1Å; R301-E305 WeakPolarHBondContact O-CG 3.32Å; R301-E305 PolarHBondContact O-N 3Å; L302-E305 PolarHBondContact O-N 3.37Å
306H85.1Confident80.6Confident128 Ų12895.8 Ų95.859%0.59350%0.498SS*.THydrogen-bonded Turntrans-947177.2-70-61.8000115.1L302 R304 L308L302-H306 PolarHBondContact O-CD2 2.99Å; L302-H306 VanDerWaalsContact O-CD2 3.29Å; L302-H306 PolarHBondContact O-N 3.14Å; R304-H306 PolarHBondContact O-N 2.72Å; H306-L308 VanDerWaalsContact C-N 3.3Å; H306-L308 HydrophobicContact CB-CD1 4.28Å; H306-L308 HydrophobicContact CB-CG 4.37Å; H306-L308 PolarHBondContact O-N 3Å
307G80Confident80.5Confident62 Ų6294.9 Ų94.964%0.63949%0.493SS*.THydrogen-bonded Turntrans69.325.1177.800000114.3L303 R304L303-G307 PolarHBondContact O-N 3.24Å; R304-G307 PolarHBondContact O-N 3.27Å
308L82.1Confident80.3Confident76 Ų7694.7 Ų94.740%0.39849%0.491SS..  trans-101.930.4-180-63.9175.9000112.1L303 H306 S310 F311L303-L308 HydrophobicContact CB-CB 4.34Å; L303-L308 HydrophobicContact CD2-CB 3.73Å; L303-L308 HydrophobicContact CD2-CD1 4.09Å; L303-L308 CarbonylContact O-C 3.57Å; L303-L308 WeakPolarHBondContact O-CA 3.32Å; L303-L308 PolarHBondContact O-N 2.56Å; H306-L308 VanDerWaalsContact C-N 3.3Å; H306-L308 HydrophobicContact CB-CD1 4.28Å; H306-L308 HydrophobicContact CB-CG 4.37Å; H306-L308 PolarHBondContact O-N 3Å; L308-S310 PolarHBondContact O-N 3.47Å; L308-F311 HydrophobicContact CB-CD2 4.02Å; L308-F311 HydrophobicContact CD2-CD2 4.33Å; L308-F311 HydrophobicContact CD2-CE2 4.1Å; L308-F311 PolarHBondContact O-N 2.73Å
309E81.7Confident80Confident104 Ų10497.8 Ų97.849%0.48651%0.507SS..G310 helixtrans-57.3-23.7-175.9-55.7-159.414700113.8R304 F311 I312R304-E309 HydrophobicContact CB-CG 4.44Å; R304-E309 HydrophobicContact CG-CG 4.05Å; R304-E309 WeakPolarHBondContact CG-OE1 3.33Å; R304-E309 IonicContact NH1-OE1 3.08Å; R304-E309 PolarHBondContact NH1-OE1 3.17Å; E309-F311 PolarHBondContact O-N 3.35Å; E309-F311 VanDerWaalsContact O-N 3.12Å; E309-I312 HydrophobicContact CB-CD1 4.37Å; E309-I312 WeakPolarHBondContact O-CB 3.36Å; E309-I312 PolarHBondContact O-N 3.25Å; E309-I312 VanDerWaalsContact O-N 3.13Å
310S78.8Confident79.7Confident109 Ų109102.9 Ų102.976%0.76253%0.533SS*.G310 helixtrans-62-16.4176.159.50000114.3L308L308-S310 PolarHBondContact O-N 3.47Å
311F76.5Confident79.3Confident134 Ų134107.4 Ų107.459%0.58856%0.556SS**G310 helixtrans-93.2-11178.7-68.8-84.2000113.6L303 L308 E309 K313L303-F311 HydrophobicContact CD1-CB 4.07Å; L303-F311 HydrophobicContact CD2-CB 4.23Å; L308-F311 HydrophobicContact CB-CD2 4.02Å; L308-F311 HydrophobicContact CD2-CD2 4.33Å; L308-F311 HydrophobicContact CD2-CE2 4.1Å; L308-F311 PolarHBondContact O-N 2.73Å; E309-F311 PolarHBondContact O-N 3.35Å; E309-F311 VanDerWaalsContact O-N 3.12Å; F311-K313 PolarHBondContact O-N 3.41Å
312I78.8Confident78.8Confident30 Ų30104.6 Ų104.615%0.15456%0.555CS.*SBendtrans-69.2123.5176.9-62.3173.3000107.9D300 L303 R304 E309D300-I312 HydrophobicContact CB-CD1 4.43Å; L303-I312 HydrophobicContact CB-CD1 4.32Å; L303-I312 HydrophobicContact CB-CG1 4.03Å; L303-I312 HydrophobicContact CD1-CG1 3.96Å; R304-I312 HydrophobicContact CG-CD1 3.64Å; E309-I312 HydrophobicContact CB-CD1 4.37Å; E309-I312 WeakPolarHBondContact O-CB 3.36Å; E309-I312 PolarHBondContact O-N 3.25Å; E309-I312 VanDerWaalsContact O-N 3.13Å
313K74.5Confident78.3Confident167 Ų167110.6 Ų110.673%0.72659%0.587SS**PPolyproline II helixtrans-65.9133.5175.6-73178.8-177.3169.40108.7F311 K315F311-K313 PolarHBondContact O-N 3.41Å; K313-K315 PolarHBondContact O-N 2.81Å; K313-K315 VanDerWaalsContact O-N 3.14Å
314P70Confident77.8Confident124 Ų124117.9 Ų117.981%0.80563%0.626SS**PPolyproline II helixtrans-60122.2170.324.4-30.9000108.7
315K70.4Confident77Confident148 Ų148116.2 Ų116.264%0.64364%0.635SS**PPolyproline II helixtrans-61.1137.9171.4-78.3179.9179.1176.40108.1D297 K313D297-K315 IonicContact OD1-NZ 3.83Å; D297-K315 PolarHBondContact OD1-NZ 3.33Å; K313-K315 PolarHBondContact O-N 2.81Å; K313-K315 VanDerWaalsContact O-N 3.14Å
316P61.3Low76.3Confident199 Ų199116.5 Ų116.5100%1.29264%0.644SS**  trans-610-176.827.2-35.6000112.9

Retrieved 316 of 316 residues in 113.9 ms (Link to these results)