A0A096NJB8_PAPAN Loading...

E2F transcription factor 4

AlphaFold DB , UniProt , Accession A0A096NJB8, Species PAPAN (Papio anubis, Olive baboon), Gene E2F4, Length 417 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low54.5Low255 Ų255136.5 Ų136.5100%1.25685%0.854SS**  01360-72.2167168.100107.6
2A41.6Very low54.8Low107 Ų107136.1 Ų136.188%0.88485%0.854SS**  trans-146.8146.7169.100000107
3E43.3Very low55Low198 Ų198131.4 Ų131.493%0.92585%0.848SS**  trans-91.9144.5-163-163.7175.1120.600112.3
4A45.6Very low54.9Low97 Ų97131.7 Ų131.780%0.80285%0.847SS**  trans-109.2111.8177.700000110.4
5G53.6Low55Low66 Ų66128.1 Ų128.168%0.6882%0.824SS**PPolyproline II helixtrans-71.1153.2175.500000112.9
6P59.5Low55.4Low137 Ų137123.9 Ų123.989%0.8980%0.799SS**PPolyproline II helixtrans-72.7134.5-176.229.4-34.8000112.4
7Q54.4Low55.9Low198 Ų198130.2 Ų130.293%0.92580%0.803SS**PPolyproline II helixtrans-91.5140.8176-158.6171.83900111
8A62.7Low56.6Low86 Ų86130.6 Ų130.671%0.71179%0.794SS**PPolyproline II helixtrans-71.6152.6-17600000113.3
9P66.7Low57.1Low120 Ų120129.8 Ų129.878%0.77978%0.781SS**PPolyproline II helixtrans-71.4151.1-17829.5-36000113.3
10P63.2Low57.9Low117 Ų117130.4 Ų130.476%0.7677%0.772SS**PPolyproline II helixtrans-74.6153.2179.231.2-35.7000112.9
11P60.5Low59.1Low121 Ų121126.6 Ų126.679%0.78675%0.752SS**PPolyproline II helixtrans-75.2150.2-178.531-35.8000113.1
12P58.2Low61Low131 Ų131117.8 Ų117.885%0.85171%0.71SS**PPolyproline II helixtrans-82.1156.4-179.133.7-35.9000113.2
13G57.3Low63.2Low75 Ų75114.6 Ų114.677%0.77369%0.687SS**  trans105.135.1154.800000118.6P15G13-P15 WeakPolarHBondContact O-CD 3.2Å
14T53.8Low65.2Low136 Ų136108 Ų10883%0.83466%0.658SS**PPolyproline II helixtrans-82117.1162.3540000110.8S16T14-S16 PolarHBondContact O-N 3.31Å
15P56.2Low67.3Low78 Ų78104.8 Ų104.851%0.50663%0.627SS.*PPolyproline II helixtrans-65.4130.5-179.322.9-32.8000111.9G13 K20G13-P15 WeakPolarHBondContact O-CD 3.2Å; P15-K20 PolarHBondContact O-NZ 3.32Å
16S61.7Low69.1Low60 Ų60103.8 Ų103.842%0.4261%0.608SS.*PPolyproline II helixtrans-59.8140.4-162.9-178.60000112.7T14 H18 E19T14-S16 PolarHBondContact O-N 3.31Å; S16-H18 PolarHBondContact O-N 3.35Å; S16-H18 VanDerWaalsContact O-N 3.09Å; S16-H18 PolarHBondContact OG-N 3.48Å; S16-E19 WeakPolarHBondContact CB-OE1 3.49Å; S16-E19 PolarHBondContact N-OE1 2.9Å; S16-E19 PolarHBondContact N-OE2 2.99Å; S16-E19 WeakPolarHBondContact O-CB 3.39Å; S16-E19 PolarHBondContact O-N 3.37Å; S16-E19 VanDerWaalsContact O-N 3.12Å
17R64.4Low70.5Confident232 Ų232101.5 Ų101.588%0.87559%0.592SS**G310 helixtrans-56.3-28.3176.8-175.7175.6178.4-112.92.3112.2K20R17-K20 PolarHBondContact O-N 2.97Å
18H67.6Low72Confident136 Ų13697.5 Ų97.563%0.6357%0.571SS**G310 helixtrans-65-39.4178.8-173.388.6000113S16 K20 S21S16-H18 PolarHBondContact O-N 3.35Å; S16-H18 VanDerWaalsContact O-N 3.09Å; S16-H18 PolarHBondContact OG-N 3.48Å; H18-K20 PolarHBondContact O-N 3.42Å; H18-K20 VanDerWaalsContact O-N 3.08Å; H18-S21 WeakPolarHBondContact O-CB 3.35Å; H18-S21 PolarHBondContact O-N 3.33Å
19E67.1Low73.3Confident117 Ų11793.4 Ų93.455%0.54754%0.538SS..G310 helixtrans-63.1-18.5-178.7-63.8159.4-162.900113.3S16S16-E19 WeakPolarHBondContact CB-OE1 3.49Å; S16-E19 PolarHBondContact N-OE1 2.9Å; S16-E19 PolarHBondContact N-OE2 2.99Å; S16-E19 WeakPolarHBondContact O-CB 3.39Å; S16-E19 PolarHBondContact O-N 3.37Å; S16-E19 VanDerWaalsContact O-N 3.12Å
20K72.6Confident74.3Confident140 Ų14089.2 Ų89.261%0.60951%0.51SS*.G310 helixtrans-109.911.5-179.2-59.9164.6-171.4157.20112.2P15 R17 H18P15-K20 PolarHBondContact O-NZ 3.32Å; R17-K20 PolarHBondContact O-N 2.97Å; H18-K20 PolarHBondContact O-N 3.42Å; H18-K20 VanDerWaalsContact O-N 3.08Å
21S83.4Confident75.5Confident51 Ų5186.5 Ų86.536%0.35749%0.493SS..  trans-65.8138.2180-176.70000111.2H18 G23 L24 L25H18-S21 WeakPolarHBondContact O-CB 3.35Å; H18-S21 PolarHBondContact O-N 3.33Å; S21-G23 PolarHBondContact O-N 3.41Å; S21-G23 PolarHBondContact OG-N 2.86Å; S21-L24 PolarHBondContact O-N 2.7Å; S21-L25 PolarHBondContact O-N 2.78Å
22L87Confident76.8Confident71 Ų7182.6 Ų82.637%0.37247%0.465SS..Hα-helixtrans-57.4-39.2173.6-174.365.6000111L24 L25 T26 R57 D60 I61L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.16Å; L22-L25 CarbonylContact O-C 3.57Å; L22-L25 WeakPolarHBondContact O-CA 3.12Å; L22-L25 WeakPolarHBondContact O-CB 3.27Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-L25 VanDerWaalsContact O-N 3.09Å; L22-T26 PolarHBondContact O-N 3.26Å; L22-T26 PolarHBondContact O-OG1 3.45Å; L22-T26 VanDerWaalsContact O-OG1 3.05Å; L22-R57 HydrophobicContact CD1-CB 4.36Å; L22-D60 HydrophobicContact CD1-CB 4.05Å; L22-D60 HydrophobicContact CD2-CB 4.04Å; L22-I61 HydrophobicContact CD1-CD1 4.23Å; L22-I61 HydrophobicContact CD1-CG1 3.91Å
23G87.6Confident78.1Confident39 Ų3976.4 Ų76.440%0.40243%0.425SS..Hα-helixtrans-60.7-3717900000113.7S21 L25 T26 T27S21-G23 PolarHBondContact O-N 3.41Å; S21-G23 PolarHBondContact OG-N 2.86Å; G23-L25 VanDerWaalsContact C-N 3.34Å; G23-T26 WeakPolarHBondContact O-CB 3.19Å; G23-T26 PolarHBondContact O-N 3.05Å; G23-T27 PolarHBondContact O-N 3.38Å; G23-T27 PolarHBondContact O-OG1 2.99Å; G23-T27 VanDerWaalsContact O-OG1 3.11Å
24L87.1Confident79.2Confident61 Ų6177 Ų7732%0.31941%0.408SS..Hα-helixtrans-69.9-32.9176.4-176.662.8000111.8S21 L22 K28S21-L24 PolarHBondContact O-N 2.7Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.16Å; L24-K28 WeakPolarHBondContact O-CG 3.21Å; L24-K28 PolarHBondContact O-N 3.4Å
25L89.3Confident80.5Confident29 Ų2978.1 Ų78.115%0.15240%0.404CS..Hα-helixtrans-68.5-42.3169.7-63.8176.1000110.9S21 L22 G23 K28 F29 V52 R57 I61S21-L25 PolarHBondContact O-N 2.78Å; L22-L25 CarbonylContact O-C 3.57Å; L22-L25 WeakPolarHBondContact O-CA 3.12Å; L22-L25 WeakPolarHBondContact O-CB 3.27Å; L22-L25 PolarHBondContact O-N 3.25Å; L22-L25 VanDerWaalsContact O-N 3.09Å; G23-L25 VanDerWaalsContact C-N 3.34Å; L25-K28 PolarHBondContact O-N 3.38Å; L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 2.77Å; L25-V52 HydrophobicContact CD1-CG1 4.27Å; L25-V52 HydrophobicContact CD2-CG2 4.25Å; L25-R57 HydrophobicContact CD1-CB 4.08Å; L25-R57 HydrophobicContact CD1-CG 4.38Å; L25-I61 HydrophobicContact CB-CD1 3.88Å
26T90.8Very high81.6Confident45 Ų4575.1 Ų75.128%0.27639%0.385SS..Hα-helixtrans-59.1-48.2176.3-53.10000111.7L22 G23 K28 F29 V30 I61L22-T26 PolarHBondContact O-N 3.26Å; L22-T26 PolarHBondContact O-OG1 3.45Å; L22-T26 VanDerWaalsContact O-OG1 3.05Å; G23-T26 WeakPolarHBondContact O-CB 3.19Å; G23-T26 PolarHBondContact O-N 3.05Å; T26-K28 PolarHBondContact O-N 3.34Å; T26-F29 PolarHBondContact O-N 3.23Å; T26-V30 HydrophobicContact CG2-CG2 4.34Å; T26-V30 WeakPolarHBondContact O-CB 3.41Å; T26-V30 WeakPolarHBondContact O-CG2 3.26Å; T26-V30 PolarHBondContact O-N 3.49Å; T26-I61 HydrophobicContact CG2-CG2 4.31Å
27T88.2Confident82.1Confident89 Ų8980.6 Ų80.655%0.54640%0.402SS..Hα-helixtrans-57-49.9178.4-54.40000111.2G23 F29 V30 S31G23-T27 PolarHBondContact O-N 3.38Å; G23-T27 PolarHBondContact O-OG1 2.99Å; G23-T27 VanDerWaalsContact O-OG1 3.11Å; T27-F29 PolarHBondContact O-N 3.24Å; T27-V30 PolarHBondContact O-N 3.26Å; T27-S31 PolarHBondContact O-N 3.11Å; T27-S31 PolarHBondContact O-OG 2.85Å
28K87.8Confident82.5Confident114 Ų11474.2 Ų74.250%0.49639%0.385SS..Hα-helixtrans-67.4-35.7179.2-66.7-177.8176.9-170.80112.9L24 L25 T26 S31 L32 L50L24-K28 WeakPolarHBondContact O-CG 3.21Å; L24-K28 PolarHBondContact O-N 3.4Å; L25-K28 PolarHBondContact O-N 3.38Å; T26-K28 PolarHBondContact O-N 3.34Å; K28-S31 PolarHBondContact O-N 3.3Å; K28-L32 WeakPolarHBondContact O-CG 3.28Å; K28-L32 PolarHBondContact O-N 3.16Å; K28-L50 HydrophobicContact CB-CD2 3.27Å; K28-L50 HydrophobicContact CD-CD2 4.19Å; K28-L50 HydrophobicContact CG-CD2 4.38Å
29F89.6Confident83Confident0 Ų067.8 Ų67.80%036%0.355CS..Hα-helixtrans-64.5-42.3175.5-175.3-87.8000111.3L25 T26 T27 L32 L33 L41 L43 A46 L50 I58 I61 T62 L65 I79L25-F29 WeakPolarHBondContact O-CB 3.35Å; L25-F29 PolarHBondContact O-N 2.77Å; T26-F29 PolarHBondContact O-N 3.23Å; T27-F29 PolarHBondContact O-N 3.24Å; F29-L32 PolarHBondContact O-N 3.32Å; F29-L33 HydrophobicContact CD1-CD2 4.49Å; F29-L33 HydrophobicContact CE1-CD2 4.04Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.45Å; F29-L33 PolarHBondContact O-N 2.85Å; F29-L41 HydrophobicContact CD2-CD2 4.47Å; F29-L41 HydrophobicContact CE1-CD2 4.45Å; F29-L41 HydrophobicContact CE2-CD2 4.08Å; F29-L41 HydrophobicContact CZ-CD2 4.07Å; F29-L43 HydrophobicContact CE2-CD2 4.03Å; F29-L43 HydrophobicContact CZ-CD2 3.9Å; F29-A46 HydrophobicContact CD2-CB 4.38Å; F29-A46 HydrophobicContact CE2-CB 4.2Å; F29-L50 HydrophobicContact CB-CD1 3.91Å; F29-L50 HydrophobicContact CD2-CD1 3.74Å; F29-L50 HydrophobicContact CG-CD1 4.33Å; F29-I58 HydrophobicContact CD2-CD1 4.15Å; F29-I58 HydrophobicContact CE2-CD1 4.27Å; F29-I58 HydrophobicContact CE2-CG2 4.03Å; F29-I61 HydrophobicContact CB-CD1 4.27Å; F29-I61 HydrophobicContact CB-CG2 4.37Å; F29-I61 HydrophobicContact CD1-CG2 3.54Å; F29-I61 HydrophobicContact CE1-CG2 3.91Å; F29-I61 HydrophobicContact CG-CD1 4.48Å; F29-I61 HydrophobicContact CG-CG2 3.95Å; F29-T62 HydrophobicContact CE1-CG2 4.45Å; F29-T62 HydrophobicContact CZ-CG2 3.81Å; F29-L65 HydrophobicContact CD1-CD1 4.25Å; F29-L65 HydrophobicContact CE1-CD1 4.07Å; F29-I79 HydrophobicContact CE1-CD1 3.87Å; F29-I79 HydrophobicContact CZ-CD1 3.6Å
30V87.8Confident83.9Confident32 Ų3264.2 Ų64.219%0.19434%0.342CS..Hα-helixtrans-65.6-40.3174.7171.30000111.2T26 T27 L33 Q34T26-V30 HydrophobicContact CG2-CG2 4.34Å; T26-V30 WeakPolarHBondContact O-CB 3.41Å; T26-V30 WeakPolarHBondContact O-CG2 3.26Å; T26-V30 PolarHBondContact O-N 3.49Å; T27-V30 PolarHBondContact O-N 3.26Å; V30-L33 PolarHBondContact O-N 3Å; V30-Q34 HydrophobicContact CG1-CG 4.34Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 VanDerWaalsContact O-CG 3.31Å; V30-Q34 WeakPolarHBondContact O-CG 3.3Å; V30-Q34 PolarHBondContact O-N 2.59Å
31S86.8Confident84.7Confident59 Ų5958.1 Ų58.141%0.41332%0.316SS..Hα-helixtrans-59.1-47.9172.8-58.30000112.2T27 K28 L33 Q34 E35T27-S31 PolarHBondContact O-N 3.11Å; T27-S31 PolarHBondContact O-OG 2.85Å; K28-S31 PolarHBondContact O-N 3.3Å; S31-L33 PolarHBondContact O-N 2.74Å; S31-Q34 PolarHBondContact O-N 3.48Å; S31-E35 WeakPolarHBondContact O-CB 3.21Å; S31-E35 PolarHBondContact O-N 3.01Å
32L87.9Confident85Confident39 Ų3958.8 Ų58.820%0.20432%0.315CS..Hα-helixtrans-62.3-31.4176.1-69.2173.7000112.9K28 F29 A36 L41 T49 L50K28-L32 WeakPolarHBondContact O-CG 3.28Å; K28-L32 PolarHBondContact O-N 3.16Å; F29-L32 PolarHBondContact O-N 3.32Å; L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.11Å; L32-A36 PolarHBondContact O-N 3.45Å; L32-L41 HydrophobicContact CB-CD1 4.27Å; L32-L41 HydrophobicContact CB-CD2 4.41Å; L32-T49 HydrophobicContact CD1-CG2 3.91Å; L32-T49 HydrophobicContact CD2-CG2 4.03Å; L32-L50 HydrophobicContact CD1-CD1 4.28Å; L32-L50 HydrophobicContact CD1-CD2 3.91Å; L32-L50 HydrophobicContact CD1-CG 3.82Å
33L86.1Confident85.2Confident1 Ų156.6 Ų56.61%0.00530%0.304CS..Hα-helixtrans-79.1-23.3178.8-172.953.5000113.2F29 V30 S31 L41 I71 I79 W81F29-L33 HydrophobicContact CD1-CD2 4.49Å; F29-L33 HydrophobicContact CE1-CD2 4.04Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.45Å; F29-L33 PolarHBondContact O-N 2.85Å; V30-L33 PolarHBondContact O-N 3Å; S31-L33 PolarHBondContact O-N 2.74Å; L33-L41 HydrophobicContact CB-CD2 4Å; L33-L41 HydrophobicContact CD1-CB 3.58Å; L33-L41 HydrophobicContact CD1-CD2 4.13Å; L33-I71 HydrophobicContact CD2-CG2 3.75Å; L33-I79 HydrophobicContact CD1-CD1 4.14Å; L33-I79 HydrophobicContact CD1-CG1 4.39Å; L33-I79 HydrophobicContact CD2-CD1 4.02Å; L33-W81 HydrophobicContact CD1-CB 4.07Å; L33-W81 HydrophobicContact CD2-CD2 4.42Å; L33-W81 HydrophobicContact CD2-CE3 3.51Å; L33-W81 HydrophobicContact CD2-CZ3 4.13Å; L33-W81 HydrophobicContact CG-CB 4.1Å; L33-W81 HydrophobicContact CG-CD2 4.38Å; L33-W81 HydrophobicContact CG-CE3 3.91Å
34Q80.6Confident85.1Confident88 Ų8860 Ų6041%0.41131%0.307SS..Hα-helixtrans-86.3-32.8172.7-71.6171.5-1500112.3V30 S31 A36V30-Q34 HydrophobicContact CG1-CG 4.34Å; V30-Q34 WeakPolarHBondContact O-CB 3.41Å; V30-Q34 VanDerWaalsContact O-CG 3.31Å; V30-Q34 WeakPolarHBondContact O-CG 3.3Å; V30-Q34 PolarHBondContact O-N 2.59Å; S31-Q34 PolarHBondContact O-N 3.48Å; Q34-A36 VanDerWaalsContact C-N 3.34Å
35E80.6Confident85.1Confident159 Ų15962.2 Ų62.274%0.74332%0.319SS*.Hα-helixtrans-78.4-19.4174-169.5172.9-166.900112.4S31 K37S31-E35 WeakPolarHBondContact O-CB 3.21Å; S31-E35 PolarHBondContact O-N 3.01Å; E35-K37 PolarHBondContact O-N 3.15Å
36A80.9Confident85Confident15 Ų1560.9 Ų60.912%0.12431%0.312CS..SBendtrans-64.6125.3173.800000112L32 Q34 G39 L41L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.11Å; L32-A36 PolarHBondContact O-N 3.45Å; Q34-A36 VanDerWaalsContact C-N 3.34Å; A36-G39 PolarHBondContact O-N 3.37Å; A36-L41 HydrophobicContact CB-CB 4.42Å; A36-L41 HydrophobicContact CB-CD1 4.45Å
37K71.9Confident84.8Confident175 Ų17559 Ų5976%0.76130%0.301SS*.G310 helixtrans-58.9145.1173.9-63.3-174.6179.3-175.90110.8E35 G39 V40E35-K37 PolarHBondContact O-N 3.15Å; K37-G39 PolarHBondContact O-N 3.39Å; K37-V40 PolarHBondContact O-N 3.14Å
38D72.2Confident84.7Confident98 Ų9859.8 Ų59.852%0.52430%0.302SS..G310 helixtrans58.115.7178.2-33.1-32.2000113.2V40D38-V40 HydrophobicContact CB-CG2 4.32Å; D38-V40 PolarHBondContact O-N 3.37Å
39G78.3Confident84.6Confident1 Ų158.3 Ų58.31%0.0130%0.303CS..G310 helixtrans66.613.5-171.500000115.1A36 K37 Q80 W81A36-G39 PolarHBondContact O-N 3.37Å; K37-G39 PolarHBondContact O-N 3.39Å; G39-Q80 CarbonylContact O-C 3.55Å; G39-Q80 WeakPolarHBondContact O-CA 3.28Å; G39-W81 PolarHBondContact O-N 3.39Å
40V86.2Confident84.2Confident43 Ų4359.2 Ų59.226%0.26131%0.307SS..EExtended strand (participates in β ladder)trans-102.5116.3-171.6-176.10000112.3K37 D38 K74 S78 I79 Q80K37-V40 PolarHBondContact O-N 3.14Å; D38-V40 HydrophobicContact CB-CG2 4.32Å; D38-V40 PolarHBondContact O-N 3.37Å; V40-K74 HydrophobicContact CG1-CD 4.05Å; V40-K74 HydrophobicContact CG2-CD 3.89Å; V40-S78 VanDerWaalsContact CG1-OG 3.28Å; V40-S78 WeakPolarHBondContact CG1-OG 3.49Å; V40-I79 WeakPolarHBondContact CA-O 3.43Å; V40-Q80 HydrophobicContact CG2-CB 4.31Å; V40-Q80 HydrophobicContact CG2-CG 4.05Å
41L89.1Confident83.7Confident11 Ų1161.5 Ų61.56%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-112.2129.8-179.7-175.364.5000112.3F29 L32 L33 A36 A46 I79F29-L41 HydrophobicContact CD2-CD2 4.47Å; F29-L41 HydrophobicContact CE1-CD2 4.45Å; F29-L41 HydrophobicContact CE2-CD2 4.08Å; F29-L41 HydrophobicContact CZ-CD2 4.07Å; L32-L41 HydrophobicContact CB-CD1 4.27Å; L32-L41 HydrophobicContact CB-CD2 4.41Å; L33-L41 HydrophobicContact CB-CD2 4Å; L33-L41 HydrophobicContact CD1-CB 3.58Å; L33-L41 HydrophobicContact CD1-CD2 4.13Å; A36-L41 HydrophobicContact CB-CB 4.42Å; A36-L41 HydrophobicContact CB-CD1 4.45Å; L41-A46 HydrophobicContact CD1-CB 4.23Å; L41-A46 HydrophobicContact CD2-CB 3.94Å; L41-A46 HydrophobicContact CG-CB 4.1Å; L41-I79 HydrophobicContact CB-CG1 4.11Å; L41-I79 PolarHBondContact N-O 2.76Å; L41-I79 PolarHBondContact O-N 3.35Å; L41-I79 VanDerWaalsContact O-N 3.09Å
42D90.1Very high82.9Confident66 Ų6659.7 Ų59.735%0.35332%0.316SS..EExtended strand (participates in β ladder)trans-79.6119.3166.5-177.7-2.9000110K44 L45 A46 N77D42-K44 PolarHBondContact O-N 3.27Å; D42-K44 WeakPolarHBondContact OD1-CB 3.13Å; D42-K44 PolarHBondContact OD1-N 2.72Å; D42-L45 HydrophobicContact CB-CB 4.18Å; D42-L45 PolarHBondContact O-N 2.91Å; D42-A46 WeakPolarHBondContact O-CB 3.47Å; D42-A46 PolarHBondContact O-N 3.28Å; D42-N77 CarbonylContact C-O 2.93Å; D42-N77 WeakPolarHBondContact CA-O 3.37Å
43L89.8Confident81.8Confident25 Ų2569.9 Ų69.913%0.13135%0.352CS..Hα-helixtrans-64.5-20.8178.2-60.4-176.2000113.2F29 A47 I58 T62 N77 I79F29-L43 HydrophobicContact CE2-CD2 4.03Å; F29-L43 HydrophobicContact CZ-CD2 3.9Å; L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.77Å; L43-I58 HydrophobicContact CD2-CG2 4Å; L43-T62 HydrophobicContact CD1-CG2 4.49Å; L43-T62 HydrophobicContact CD2-CG2 3.99Å; L43-N77 HydrophobicContact CB-CB 4.41Å; L43-N77 PolarHBondContact N-O 2.68Å; L43-I79 HydrophobicContact CD1-CG2 4.16Å; L43-I79 HydrophobicContact CD2-CD1 3.97Å; L43-I79 HydrophobicContact CD2-CG1 3.92Å; L43-I79 HydrophobicContact CD2-CG2 4.13Å; L43-I79 HydrophobicContact CG-CG2 4.32Å
44K86.9Confident81.3Confident109 Ų10975.2 Ų75.247%0.47438%0.377SS..Hα-helixtrans-69.9-58.3170.9-62.9174.7-178.8172.40110.3D42 A46 A47 D48 N77D42-K44 PolarHBondContact O-N 3.27Å; D42-K44 WeakPolarHBondContact OD1-CB 3.13Å; D42-K44 PolarHBondContact OD1-N 2.72Å; K44-A46 PolarHBondContact O-N 3.24Å; K44-A47 PolarHBondContact O-N 2.87Å; K44-D48 PolarHBondContact O-N 2.89Å; K44-N77 HydrophobicContact CG-CB 4.26Å
45L86.3Confident81.2Confident109 Ų10976.8 Ų76.857%0.57138%0.382SS*.Hα-helixtrans-54.8-43.3177.7-178.862.1000110.8D42 D48 T49D42-L45 HydrophobicContact CB-CB 4.18Å; D42-L45 PolarHBondContact O-N 2.91Å; L45-D48 PolarHBondContact O-N 3Å; L45-T49 VanDerWaalsContact O-CB 3.25Å; L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 3.32Å; L45-T49 PolarHBondContact O-OG1 3.14Å
46A88.1Confident81.5Confident0 Ų075.2 Ų75.20%037%0.369CS..Hα-helixtrans-62.5-45.6174.500000112.8F29 L41 D42 K44 D48 L50F29-A46 HydrophobicContact CD2-CB 4.38Å; F29-A46 HydrophobicContact CE2-CB 4.2Å; L41-A46 HydrophobicContact CD1-CB 4.23Å; L41-A46 HydrophobicContact CD2-CB 3.94Å; L41-A46 HydrophobicContact CG-CB 4.1Å; D42-A46 WeakPolarHBondContact O-CB 3.47Å; D42-A46 PolarHBondContact O-N 3.28Å; K44-A46 PolarHBondContact O-N 3.24Å; A46-D48 VanDerWaalsContact C-N 3.31Å; A46-D48 PolarHBondContact O-N 3.34Å; A46-L50 WeakPolarHBondContact O-CB 3.44Å; A46-L50 WeakPolarHBondContact O-CD1 3.37Å; A46-L50 WeakPolarHBondContact O-CG 3.45Å; A46-L50 PolarHBondContact O-N 3.44Å
47A86.9Confident81.8Confident5 Ų578.4 Ų78.44%0.04138%0.378CS..Hα-helixtrans-63-37.3179.900000113L43 K44 A51 V52 I58L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.77Å; K44-A47 PolarHBondContact O-N 2.87Å; A47-A51 PolarHBondContact O-N 3.16Å; A47-V52 PolarHBondContact O-N 3.23Å; A47-V52 VanDerWaalsContact O-N 3.16Å; A47-I58 HydrophobicContact CB-CD1 4.47Å; A47-I58 HydrophobicContact CB-CG1 4.12Å
48D85.8Confident82.7Confident106 Ų10670.4 Ų70.457%0.56734%0.344SS*.Hα-helixtrans-76.4-45.8-179.4-59.9-25.6000110.6K44 L45 A46 L50 A51 K55K44-D48 PolarHBondContact O-N 2.89Å; L45-D48 PolarHBondContact O-N 3Å; A46-D48 VanDerWaalsContact C-N 3.31Å; A46-D48 PolarHBondContact O-N 3.34Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.38Å; D48-A51 PolarHBondContact O-N 3.05Å; D48-K55 IonicContact OD1-NZ 3.24Å
49T84.4Confident83.6Confident84 Ų8471.1 Ų71.152%0.51534%0.34SS..Hα-helixtrans-63.2-35.4175.4-61.10000113.1L32 L45 A51L32-T49 HydrophobicContact CD1-CG2 3.91Å; L32-T49 HydrophobicContact CD2-CG2 4.03Å; L45-T49 VanDerWaalsContact O-CB 3.25Å; L45-T49 WeakPolarHBondContact O-CB 3.32Å; L45-T49 PolarHBondContact O-N 3.32Å; L45-T49 PolarHBondContact O-OG1 3.14Å; T49-A51 PolarHBondContact O-N 3.29Å
50L81.8Confident84.2Confident18 Ų1872.7 Ų72.79%0.09435%0.348CS..THydrogen-bonded Turntrans-80.41.6175.2-64.9170.8000113.2K28 F29 L32 A46 D48 V52 I58K28-L50 HydrophobicContact CB-CD2 3.27Å; K28-L50 HydrophobicContact CD-CD2 4.19Å; K28-L50 HydrophobicContact CG-CD2 4.38Å; F29-L50 HydrophobicContact CB-CD1 3.91Å; F29-L50 HydrophobicContact CD2-CD1 3.74Å; F29-L50 HydrophobicContact CG-CD1 4.33Å; L32-L50 HydrophobicContact CD1-CD1 4.28Å; L32-L50 HydrophobicContact CD1-CD2 3.91Å; L32-L50 HydrophobicContact CD1-CG 3.82Å; A46-L50 WeakPolarHBondContact O-CB 3.44Å; A46-L50 WeakPolarHBondContact O-CD1 3.37Å; A46-L50 WeakPolarHBondContact O-CG 3.45Å; A46-L50 PolarHBondContact O-N 3.44Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 3.38Å; L50-V52 HydrophobicContact CB-CG2 3.39Å; L50-V52 PolarHBondContact O-N 3.5Å; L50-V52 VanDerWaalsContact O-N 3.16Å; L50-I58 HydrophobicContact CD1-CD1 4Å
51A76.2Confident84.4Confident81 Ų8170.8 Ų70.867%0.66934%0.337SS*.THydrogen-bonded Turntrans51.135.4179.100000114A47 D48 T49 R53A47-A51 PolarHBondContact O-N 3.16Å; D48-A51 PolarHBondContact O-N 3.05Å; T49-A51 PolarHBondContact O-N 3.29Å; A51-R53 PolarHBondContact O-N 3.1Å
52V70.9Confident84.6Confident20 Ų2070.6 Ų70.612%0.12134%0.336CS..  trans-78.897.8-165.6-164.20000111.1L25 A47 L50 Q54 R57 I58L25-V52 HydrophobicContact CD1-CG1 4.27Å; L25-V52 HydrophobicContact CD2-CG2 4.25Å; A47-V52 PolarHBondContact O-N 3.23Å; A47-V52 VanDerWaalsContact O-N 3.16Å; L50-V52 HydrophobicContact CB-CG2 3.39Å; L50-V52 PolarHBondContact O-N 3.5Å; L50-V52 VanDerWaalsContact O-N 3.16Å; V52-Q54 VanDerWaalsContact CG1-O 3.27Å; V52-Q54 WeakPolarHBondContact CG1-O 3.41Å; V52-Q54 PolarHBondContact O-N 3.12Å; V52-R57 HydrophobicContact CG1-CB 3.9Å; V52-R57 HydrophobicContact CG1-CG 4.2Å; V52-I58 HydrophobicContact CG2-CD1 4.08Å
53R65.8Low84.7Confident253 Ų25371.9 Ų71.996%0.95534%0.343SS*.SBendtrans-54.4-11.4175.4-65.1-170.9-178.7-1670.4115.2A51A51-R53 PolarHBondContact O-N 3.1Å
54Q74.8Confident84.9Confident113 Ų11375 Ų7553%0.52836%0.362SS..  trans-135.297.1176.4-68.6-179.2-10.600110.4V52 R56 R57V52-Q54 VanDerWaalsContact CG1-O 3.27Å; V52-Q54 WeakPolarHBondContact CG1-O 3.41Å; V52-Q54 PolarHBondContact O-N 3.12Å; Q54-R56 PolarHBondContact O-N 3.12Å; Q54-R57 HydrophobicContact CB-CG 4.13Å; Q54-R57 WeakPolarHBondContact O-CG 3.38Å; Q54-R57 PolarHBondContact O-N 3.15Å
55K78Confident85.1Confident121 Ų12170.6 Ų70.653%0.52634%0.344SS..THydrogen-bonded Turntrans-54.2-23.5-179.3-65.6-163.2172.4-162.20113.9D48 R57 I58D48-K55 IonicContact OD1-NZ 3.24Å; K55-R57 PolarHBondContact O-N 3.5Å; K55-R57 VanDerWaalsContact O-N 3.16Å; K55-I58 PolarHBondContact O-N 3.04Å
56R87Confident85.3Confident126 Ų12669.6 Ų69.648%0.47534%0.337SS..Hα-helixtrans-53.1-31171.9-178.661-170.775.99.2114.1Q54 I58 Y59 D60Q54-R56 PolarHBondContact O-N 3.12Å; R56-I58 VanDerWaalsContact C-N 3.32Å; R56-I58 PolarHBondContact O-N 2.83Å; R56-Y59 PolarHBondContact O-N 2.72Å; R56-D60 IonicContact CZ-OD1 2.65Å; R56-D60 IonicContact NH1-OD1 2.66Å; R56-D60 PolarHBondContact NH1-OD1 2.75Å; R56-D60 IonicContact NH1-OD2 3.63Å; R56-D60 PolarHBondContact NH1-OD2 3.17Å; R56-D60 IonicContact NH2-OD1 3.86Å; R56-D60 PolarHBondContact NH2-OD1 3.33Å; R56-D60 PolarHBondContact O-N 2.81Å
57R88.3Confident85.4Confident83 Ų8372.9 Ų72.931%0.31337%0.37SS..Hα-helixtrans-68.2-27.5-179-57.4-75.277.1111.1-12.7113.3L22 L25 V52 Q54 K55 Y59 D60 I61L22-R57 HydrophobicContact CD1-CB 4.36Å; L25-R57 HydrophobicContact CD1-CB 4.08Å; L25-R57 HydrophobicContact CD1-CG 4.38Å; V52-R57 HydrophobicContact CG1-CB 3.9Å; V52-R57 HydrophobicContact CG1-CG 4.2Å; Q54-R57 HydrophobicContact CB-CG 4.13Å; Q54-R57 WeakPolarHBondContact O-CG 3.38Å; Q54-R57 PolarHBondContact O-N 3.15Å; K55-R57 PolarHBondContact O-N 3.5Å; K55-R57 VanDerWaalsContact O-N 3.16Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; R57-D60 IonicContact CZ-OD2 3.75Å; R57-D60 IonicContact NE-OD2 3.85Å; R57-D60 PolarHBondContact NE-OD2 3.43Å; R57-D60 IonicContact NH2-OD2 2.69Å; R57-D60 PolarHBondContact NH2-OD2 3.15Å; R57-D60 PolarHBondContact O-N 2.89Å; R57-I61 PolarHBondContact O-N 3.32Å
58I89.5Confident85.4Confident6 Ų678 Ų783%0.03140%0.396CS..Hα-helixtrans-62.1-43.8172.6-60.3-62000109.7F29 L43 A47 L50 V52 K55 R56 D60 I61 T62F29-I58 HydrophobicContact CD2-CD1 4.15Å; F29-I58 HydrophobicContact CE2-CD1 4.27Å; F29-I58 HydrophobicContact CE2-CG2 4.03Å; L43-I58 HydrophobicContact CD2-CG2 4Å; A47-I58 HydrophobicContact CB-CD1 4.47Å; A47-I58 HydrophobicContact CB-CG1 4.12Å; L50-I58 HydrophobicContact CD1-CD1 4Å; V52-I58 HydrophobicContact CG2-CD1 4.08Å; K55-I58 PolarHBondContact O-N 3.04Å; R56-I58 VanDerWaalsContact C-N 3.32Å; R56-I58 PolarHBondContact O-N 2.83Å; I58-D60 VanDerWaalsContact C-N 3.3Å; I58-D60 PolarHBondContact O-N 2.67Å; I58-I61 PolarHBondContact O-N 3.48Å; I58-T62 HydrophobicContact CG2-CG2 4.21Å; I58-T62 PolarHBondContact O-N 2.95Å; I58-T62 PolarHBondContact O-OG1 3.11Å
59Y90.6Very high85.4Confident113 Ų11375 Ų7544%0.44339%0.389SS..Hα-helixtrans-67.2-26.2176.8-50.2-51.2000113.6R56 R57 I61 T62 N63R56-Y59 PolarHBondContact O-N 2.72Å; R57-Y59 VanDerWaalsContact C-N 3.31Å; Y59-I61 VanDerWaalsContact C-N 3.26Å; Y59-I61 PolarHBondContact O-N 3.35Å; Y59-T62 WeakPolarHBondContact CA-OG1 3.37Å; Y59-N63 WeakPolarHBondContact O-CB 3.41Å; Y59-N63 PolarHBondContact O-N 3.27Å; Y59-N63 VanDerWaalsContact O-N 3.08Å; Y59-N63 PolarHBondContact O-OD1 2.88Å
60D91.4Very high85.5Confident34 Ų3473.9 Ų73.918%0.18238%0.38CS..Hα-helixtrans-67.6-30170.9-65.5-49.4000112L22 R56 R57 I58 V64L22-D60 HydrophobicContact CD1-CB 4.05Å; L22-D60 HydrophobicContact CD2-CB 4.04Å; R56-D60 IonicContact CZ-OD1 2.65Å; R56-D60 IonicContact NH1-OD1 2.66Å; R56-D60 PolarHBondContact NH1-OD1 2.75Å; R56-D60 IonicContact NH1-OD2 3.63Å; R56-D60 PolarHBondContact NH1-OD2 3.17Å; R56-D60 IonicContact NH2-OD1 3.86Å; R56-D60 PolarHBondContact NH2-OD1 3.33Å; R56-D60 PolarHBondContact O-N 2.81Å; R57-D60 IonicContact CZ-OD2 3.75Å; R57-D60 IonicContact NE-OD2 3.85Å; R57-D60 PolarHBondContact NE-OD2 3.43Å; R57-D60 IonicContact NH2-OD2 2.69Å; R57-D60 PolarHBondContact NH2-OD2 3.15Å; R57-D60 PolarHBondContact O-N 2.89Å; I58-D60 VanDerWaalsContact C-N 3.3Å; I58-D60 PolarHBondContact O-N 2.67Å; D60-V64 VanDerWaalsContact O-CG2 3.32Å; D60-V64 WeakPolarHBondContact O-CG2 3.47Å
61I91.8Very high85.9Confident4 Ų473.2 Ų73.22%0.02138%0.376CS..Hα-helixtrans-82.3-48.7178.1-61.3165.2000110.1L22 L25 T26 F29 R57 I58 Y59 V64 L65L22-I61 HydrophobicContact CD1-CD1 4.23Å; L22-I61 HydrophobicContact CD1-CG1 3.91Å; L25-I61 HydrophobicContact CB-CD1 3.88Å; T26-I61 HydrophobicContact CG2-CG2 4.31Å; F29-I61 HydrophobicContact CB-CD1 4.27Å; F29-I61 HydrophobicContact CB-CG2 4.37Å; F29-I61 HydrophobicContact CD1-CG2 3.54Å; F29-I61 HydrophobicContact CE1-CG2 3.91Å; F29-I61 HydrophobicContact CG-CD1 4.48Å; F29-I61 HydrophobicContact CG-CG2 3.95Å; R57-I61 PolarHBondContact O-N 3.32Å; I58-I61 PolarHBondContact O-N 3.48Å; Y59-I61 VanDerWaalsContact C-N 3.26Å; Y59-I61 PolarHBondContact O-N 3.35Å; I61-V64 PolarHBondContact O-N 2.87Å; I61-L65 HydrophobicContact CG2-CD1 3.88Å; I61-L65 HydrophobicContact CG2-CG 4.48Å; I61-L65 WeakPolarHBondContact O-CG 3.37Å; I61-L65 PolarHBondContact O-N 3.1Å; I61-L65 VanDerWaalsContact O-N 3.08Å
62T91.9Very high86.5Confident7 Ų773 Ų734%0.04336%0.361CS..Hα-helixtrans-63.7-45.7-178.358.70000111.7F29 L43 I58 Y59 V64 L65 E66 I71 I79F29-T62 HydrophobicContact CE1-CG2 4.45Å; F29-T62 HydrophobicContact CZ-CG2 3.81Å; L43-T62 HydrophobicContact CD1-CG2 4.49Å; L43-T62 HydrophobicContact CD2-CG2 3.99Å; I58-T62 HydrophobicContact CG2-CG2 4.21Å; I58-T62 PolarHBondContact O-N 2.95Å; I58-T62 PolarHBondContact O-OG1 3.11Å; Y59-T62 WeakPolarHBondContact CA-OG1 3.37Å; T62-V64 PolarHBondContact O-N 2.67Å; T62-L65 PolarHBondContact O-N 3.03Å; T62-L65 VanDerWaalsContact O-N 3.15Å; T62-E66 WeakPolarHBondContact O-CB 3.36Å; T62-E66 PolarHBondContact O-N 3.26Å; T62-I71 HydrophobicContact CG2-CD1 4.16Å; T62-I79 HydrophobicContact CG2-CD1 4.33Å
63N93.4Very high87.4Confident93 Ų9379.1 Ų79.150%0.49739%0.386SS..Hα-helixtrans-63.2-29-177.1-65.923.5000112.5Y59 G67Y59-N63 WeakPolarHBondContact O-CB 3.41Å; Y59-N63 PolarHBondContact O-N 3.27Å; Y59-N63 VanDerWaalsContact O-N 3.08Å; Y59-N63 PolarHBondContact O-OD1 2.88Å; N63-G67 PolarHBondContact O-N 3.05Å
64V93.4Very high88.4Confident89 Ų8972.5 Ų72.554%0.53937%0.365SS..Hα-helixtrans-76.5-45.3174.8173.10000111D60 I61 T62 E66 G67 I68D60-V64 VanDerWaalsContact O-CG2 3.32Å; D60-V64 WeakPolarHBondContact O-CG2 3.47Å; I61-V64 PolarHBondContact O-N 2.87Å; T62-V64 PolarHBondContact O-N 2.67Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-E66 PolarHBondContact O-N 2.93Å; V64-G67 PolarHBondContact O-N 2.86Å; V64-I68 HydrophobicContact CG1-CD1 3.85Å; V64-I68 WeakPolarHBondContact O-CD1 3.4Å; V64-I68 VanDerWaalsContact O-CG1 3.22Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 2.91Å
65L90.1Very high89.1Confident17 Ų1770.2 Ų70.29%0.08936%0.361CS..Hα-helixtrans-66.6-35.7177.7-67.3174.7000112.5F29 I61 T62 I68 G69 L70 I71F29-L65 HydrophobicContact CD1-CD1 4.25Å; F29-L65 HydrophobicContact CE1-CD1 4.07Å; I61-L65 HydrophobicContact CG2-CD1 3.88Å; I61-L65 HydrophobicContact CG2-CG 4.48Å; I61-L65 WeakPolarHBondContact O-CG 3.37Å; I61-L65 PolarHBondContact O-N 3.1Å; I61-L65 VanDerWaalsContact O-N 3.08Å; T62-L65 PolarHBondContact O-N 3.03Å; T62-L65 VanDerWaalsContact O-N 3.15Å; L65-I68 PolarHBondContact O-N 2.83Å; L65-G69 PolarHBondContact O-N 2.9Å; L65-G69 VanDerWaalsContact O-N 3.13Å; L65-L70 HydrophobicContact CD2-CD1 4.13Å; L65-L70 PolarHBondContact O-N 3.38Å; L65-I71 HydrophobicContact CB-CD1 3.82Å; L65-I71 HydrophobicContact CB-CG1 3.77Å; L65-I71 HydrophobicContact CB-CG2 4.13Å; L65-I71 HydrophobicContact CD1-CG2 4.4Å
66E91.4Very high89.6Confident89 Ų8973 Ų7342%0.41637%0.373SS..Hα-helixtrans-70.3-41.9175.3-173170.2-156.200110.4T62 V64 I68 G69 I71T62-E66 WeakPolarHBondContact O-CB 3.36Å; T62-E66 PolarHBondContact O-N 3.26Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-E66 PolarHBondContact O-N 2.93Å; E66-I68 VanDerWaalsContact C-N 3.25Å; E66-I68 PolarHBondContact O-N 3.24Å; E66-G69 WeakPolarHBondContact O-CA 3.38Å; E66-G69 PolarHBondContact O-N 3.08Å; E66-I71 HydrophobicContact CB-CD1 4.35Å; E66-I71 HydrophobicContact CB-CG1 3.99Å
67G89.2Confident89.6Confident68 Ų6869.7 Ų69.770%0.70137%0.365SS*.Hα-helixtrans-67-18.7173.400000115.2N63 V64N63-G67 PolarHBondContact O-N 3.05Å; V64-G67 PolarHBondContact O-N 2.86Å
68I88.6Confident89.7Confident114 Ų11466.7 Ų66.759%0.58536%0.356SS*.THydrogen-bonded Turntrans-93.4-9.8170-58.6161.4000110.9V64 L65 E66 L70V64-I68 HydrophobicContact CG1-CD1 3.85Å; V64-I68 WeakPolarHBondContact O-CD1 3.4Å; V64-I68 VanDerWaalsContact O-CG1 3.22Å; V64-I68 WeakPolarHBondContact O-CG1 3.48Å; V64-I68 PolarHBondContact O-N 2.91Å; L65-I68 PolarHBondContact O-N 2.83Å; E66-I68 VanDerWaalsContact C-N 3.25Å; E66-I68 PolarHBondContact O-N 3.24Å; I68-L70 VanDerWaalsContact C-N 3.33Å; I68-L70 HydrophobicContact CB-CG 4.39Å; I68-L70 HydrophobicContact CG2-CD1 4Å; I68-L70 HydrophobicContact CG2-CG 3.92Å
69G85.6Confident89.7Confident41 Ų4166.7 Ų66.742%0.42336%0.357SS..THydrogen-bonded Turntrans78.29.3-177.900000115.3L65 E66 I71L65-G69 PolarHBondContact O-N 2.9Å; L65-G69 VanDerWaalsContact O-N 3.13Å; E66-G69 WeakPolarHBondContact O-CA 3.38Å; E66-G69 PolarHBondContact O-N 3.08Å; G69-I71 VanDerWaalsContact C-N 3.3Å; G69-I71 PolarHBondContact O-N 2.73Å
70L86.8Confident89.6Confident62 Ų6262.7 Ų62.733%0.32534%0.342SS..SBendtrans-76.3-16.2179.6-67175.7000113.5L65 I68 W81 K82 G83L65-L70 HydrophobicContact CD2-CD1 4.13Å; L65-L70 PolarHBondContact O-N 3.38Å; I68-L70 VanDerWaalsContact C-N 3.33Å; I68-L70 HydrophobicContact CB-CG 4.39Å; I68-L70 HydrophobicContact CG2-CD1 4Å; I68-L70 HydrophobicContact CG2-CG 3.92Å; L70-W81 HydrophobicContact CB-CH2 4.37Å; L70-W81 HydrophobicContact CB-CZ3 4.16Å; L70-W81 HydrophobicContact CD1-CH2 4.45Å; L70-K82 PolarHBondContact O-N 3.24Å; L70-G83 PolarHBondContact O-N 2.82Å
71I88.4Confident89.4Confident4 Ų462.4 Ų62.42%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-134.5161.7172.266.8171.7000110.7L33 T62 L65 E66 G69 I79 Q80 W81L33-I71 HydrophobicContact CD2-CG2 3.75Å; T62-I71 HydrophobicContact CG2-CD1 4.16Å; L65-I71 HydrophobicContact CB-CD1 3.82Å; L65-I71 HydrophobicContact CB-CG1 3.77Å; L65-I71 HydrophobicContact CB-CG2 4.13Å; L65-I71 HydrophobicContact CD1-CG2 4.4Å; E66-I71 HydrophobicContact CB-CD1 4.35Å; E66-I71 HydrophobicContact CB-CG1 3.99Å; G69-I71 VanDerWaalsContact C-N 3.3Å; G69-I71 PolarHBondContact O-N 2.73Å; I71-I79 HydrophobicContact CD1-CB 4.42Å; I71-I79 HydrophobicContact CD1-CD1 3.82Å; I71-I79 HydrophobicContact CD1-CG2 4.31Å; I71-I79 HydrophobicContact CG2-CD1 4.41Å; I71-Q80 CarbonylContact C-O 3.5Å; I71-Q80 WeakPolarHBondContact CA-O 3.35Å; I71-Q80 WeakPolarHBondContact CB-O 3.46Å; I71-W81 HydrophobicContact CG2-CE3 3.77Å; I71-W81 HydrophobicContact CG2-CZ3 4.35Å
72E89.4Confident88.7Confident75 Ų7567.7 Ų67.735%0.3536%0.361SS..EExtended strand (participates in β ladder)trans-130.6163.4162.376.7-171.2140.400112.1K74 I79 Q80 K82E72-K74 PolarHBondContact O-N 3.41Å; E72-I79 CarbonylContact O-C 3.18Å; E72-I79 VanDerWaalsContact O-CA 3.22Å; E72-I79 WeakPolarHBondContact O-CA 3.47Å; E72-I79 WeakPolarHBondContact O-CB 3.39Å; E72-Q80 HydrophobicContact CG-CB 4.36Å; E72-Q80 PolarHBondContact N-O 3.5Å; E72-Q80 PolarHBondContact O-N 2.9Å; E72-K82 HydrophobicContact CB-CD 4.21Å; E72-K82 VanDerWaalsContact CD-NZ 3.27Å; E72-K82 VanDerWaalsContact OE1-CE 3.27Å; E72-K82 WeakPolarHBondContact OE1-CE 3.25Å; E72-K82 IonicContact OE1-NZ 2.71Å; E72-K82 WeakPolarHBondContact OE2-CE 3.33Å; E72-K82 IonicContact OE2-NZ 2.73Å; E72-K82 PolarHBondContact OE2-NZ 3.03Å
73K90.9Very high87.5Confident150 Ų15068 Ų6865%0.65237%0.365SS*.EExtended strand (participates in β ladder)trans-88.993.4177.7179.2-175165.1-165.40110.8
74K86.3Confident86Confident114 Ų11470.2 Ų70.250%0.49638%0.382SS..EExtended strand (participates in β ladder)trans-65.2-40.6178.6-167.6172.3-164.2152.40113V40 E72 S78 Q80V40-K74 HydrophobicContact CG1-CD 4.05Å; V40-K74 HydrophobicContact CG2-CD 3.89Å; E72-K74 PolarHBondContact O-N 3.41Å; K74-S78 PolarHBondContact N-O 3.48Å; K74-Q80 HydrophobicContact CB-CB 4.29Å; K74-Q80 HydrophobicContact CD-CB 4.34Å
75S90.1Very high84.2Confident65 Ų6566.8 Ų66.846%0.45536%0.364SS..EExtended strand (participates in β ladder)trans-162.1-172.7174.883.40000112.7N77 S78S75-N77 PolarHBondContact O-N 3.15Å; S75-N77 VanDerWaalsContact O-N 3.14Å; S75-S78 PolarHBondContact N-O 2.88Å; S75-S78 PolarHBondContact O-N 3.49Å; S75-S78 VanDerWaalsContact O-O 3.07Å; S75-S78 VanDerWaalsContact OG-CB 3.26Å; S75-S78 WeakPolarHBondContact OG-CB 3.46Å
76K87.4Confident82.4Confident180 Ų18072 Ų7278%0.78340%0.4SS*.THydrogen-bonded Turntrans-67.6113.7176.1-171.1179179.6176.40110.1S78K76-S78 VanDerWaalsContact C-N 3.33Å
77N87.9Confident80.7Confident56 Ų5670.1 Ų70.130%0.29940%0.404SS..THydrogen-bonded Turntrans72.89-170.6-32.6-78000115.4D42 L43 K44 S75D42-N77 CarbonylContact C-O 2.93Å; D42-N77 WeakPolarHBondContact CA-O 3.37Å; L43-N77 HydrophobicContact CB-CB 4.41Å; L43-N77 PolarHBondContact N-O 2.68Å; K44-N77 HydrophobicContact CG-CB 4.26Å; S75-N77 PolarHBondContact O-N 3.15Å; S75-N77 VanDerWaalsContact O-N 3.14Å
78S89Confident79Confident19 Ų1967.7 Ų67.713%0.13338%0.376CS..EExtended strand (participates in β ladder)trans-120.2128.5175.7-178.30000110.5V40 K74 S75 K76V40-S78 VanDerWaalsContact CG1-OG 3.28Å; V40-S78 WeakPolarHBondContact CG1-OG 3.49Å; K74-S78 PolarHBondContact N-O 3.48Å; S75-S78 PolarHBondContact N-O 2.88Å; S75-S78 PolarHBondContact O-N 3.49Å; S75-S78 VanDerWaalsContact O-O 3.07Å; S75-S78 VanDerWaalsContact OG-CB 3.26Å; S75-S78 WeakPolarHBondContact OG-CB 3.46Å; K76-S78 VanDerWaalsContact C-N 3.33Å
79I89.7Confident77.7Confident7 Ų764.8 Ų64.84%0.03636%0.361CS..EExtended strand (participates in β ladder)trans-114.8154.3169.761.1164.4000109.9F29 L33 V40 L41 L43 T62 I71 E72F29-I79 HydrophobicContact CE1-CD1 3.87Å; F29-I79 HydrophobicContact CZ-CD1 3.6Å; L33-I79 HydrophobicContact CD1-CD1 4.14Å; L33-I79 HydrophobicContact CD1-CG1 4.39Å; L33-I79 HydrophobicContact CD2-CD1 4.02Å; V40-I79 WeakPolarHBondContact CA-O 3.43Å; L41-I79 HydrophobicContact CB-CG1 4.11Å; L41-I79 PolarHBondContact N-O 2.76Å; L41-I79 PolarHBondContact O-N 3.35Å; L41-I79 VanDerWaalsContact O-N 3.09Å; L43-I79 HydrophobicContact CD1-CG2 4.16Å; L43-I79 HydrophobicContact CD2-CD1 3.97Å; L43-I79 HydrophobicContact CD2-CG1 3.92Å; L43-I79 HydrophobicContact CD2-CG2 4.13Å; L43-I79 HydrophobicContact CG-CG2 4.32Å; T62-I79 HydrophobicContact CG2-CD1 4.33Å; I71-I79 HydrophobicContact CD1-CB 4.42Å; I71-I79 HydrophobicContact CD1-CD1 3.82Å; I71-I79 HydrophobicContact CD1-CG2 4.31Å; I71-I79 HydrophobicContact CG2-CD1 4.41Å; E72-I79 CarbonylContact O-C 3.18Å; E72-I79 VanDerWaalsContact O-CA 3.22Å; E72-I79 WeakPolarHBondContact O-CA 3.47Å; E72-I79 WeakPolarHBondContact O-CB 3.39Å
80Q88.2Confident76.7Confident29 Ų2966.1 Ų66.114%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-122.4138.1171.6-174.7166.9-17.800110.4G39 V40 I71 E72 K74G39-Q80 CarbonylContact O-C 3.55Å; G39-Q80 WeakPolarHBondContact O-CA 3.28Å; V40-Q80 HydrophobicContact CG2-CB 4.31Å; V40-Q80 HydrophobicContact CG2-CG 4.05Å; I71-Q80 CarbonylContact C-O 3.5Å; I71-Q80 WeakPolarHBondContact CA-O 3.35Å; I71-Q80 WeakPolarHBondContact CB-O 3.46Å; E72-Q80 HydrophobicContact CG-CB 4.36Å; E72-Q80 PolarHBondContact N-O 3.5Å; E72-Q80 PolarHBondContact O-N 2.9Å; K74-Q80 HydrophobicContact CB-CB 4.29Å; K74-Q80 HydrophobicContact CD-CB 4.34Å
81W87.1Confident75.9Confident27 Ų2772.6 Ų72.610%0.10238%0.382CS..EExtended strand (participates in β ladder)trans-76.8126.5175.7-179.2-99.4000111L33 G39 L70 I71 G83 C88L33-W81 HydrophobicContact CD1-CB 4.07Å; L33-W81 HydrophobicContact CD2-CD2 4.42Å; L33-W81 HydrophobicContact CD2-CE3 3.51Å; L33-W81 HydrophobicContact CD2-CZ3 4.13Å; L33-W81 HydrophobicContact CG-CB 4.1Å; L33-W81 HydrophobicContact CG-CD2 4.38Å; L33-W81 HydrophobicContact CG-CE3 3.91Å; G39-W81 PolarHBondContact O-N 3.39Å; L70-W81 HydrophobicContact CB-CH2 4.37Å; L70-W81 HydrophobicContact CB-CZ3 4.16Å; L70-W81 HydrophobicContact CD1-CH2 4.45Å; I71-W81 HydrophobicContact CG2-CE3 3.77Å; I71-W81 HydrophobicContact CG2-CZ3 4.35Å; W81-G83 PolarHBondContact NE1-O 2.85Å; W81-C88 PolarHBondContact O-SG 3.19Å
82K77.3Confident75.2Confident116 Ų11677.7 Ų77.750%0.50441%0.405SS..  trans-98.8-16176.7-83.5-175.3162160.10113.6L70 E72L70-K82 PolarHBondContact O-N 3.24Å; E72-K82 HydrophobicContact CB-CD 4.21Å; E72-K82 VanDerWaalsContact CD-NZ 3.27Å; E72-K82 VanDerWaalsContact OE1-CE 3.27Å; E72-K82 WeakPolarHBondContact OE1-CE 3.25Å; E72-K82 IonicContact OE1-NZ 2.71Å; E72-K82 WeakPolarHBondContact OE2-CE 3.33Å; E72-K82 IonicContact OE2-NZ 2.73Å; E72-K82 PolarHBondContact OE2-NZ 3.03Å
83G67.1Low74.8Confident12 Ų1279.3 Ų79.312%0.12442%0.415CS..SBendtrans-67.9145.9-178.600000112.9L70 W81 G85L70-G83 PolarHBondContact O-N 2.82Å; W81-G83 PolarHBondContact NE1-O 2.85Å; G83-G85 PolarHBondContact O-N 3.12Å
84V61.3Low74.3Confident141 Ų14174.2 Ų74.286%0.85540%0.401SS*.  trans-67121.2169-175.50000108.6
85G57.2Low74.4Confident16 Ų1672.5 Ų72.517%0.16540%0.398CS..  trans-171.4156.1-177.300000114.1G83 G87 C88G83-G85 PolarHBondContact O-N 3.12Å; G85-G87 PolarHBondContact O-N 3.31Å; G85-C88 PolarHBondContact O-N 3.21Å
86P52.2Low74.3Confident128 Ų12875.2 Ų75.283%0.83140%0.401SS*.THydrogen-bonded Turntrans-7094.2-176.929.7-35000110.8
87G54.4Low74.5Confident49 Ų4971 Ų7151%0.50539%0.387SS..THydrogen-bonded Turntrans150.6-27.8-179.600000113.8G85G85-G87 PolarHBondContact O-N 3.31Å
88C54.8Low74.8Confident17 Ų1773.6 Ų73.612%0.11540%0.4CS..SBendtrans-109.3114-179.1-177.50000111.6W81 G85 T90W81-C88 PolarHBondContact O-SG 3.19Å; G85-C88 PolarHBondContact O-N 3.21Å; C88-T90 PolarHBondContact O-N 3.44Å; C88-T90 PolarHBondContact O-OG1 2.83Å
89N60.1Low75.1Confident52 Ų5278.8 Ų78.828%0.27842%0.421SS..SBendtrans47-5.7160.2-56.211.3000119.8R91 E92 I93N89-R91 PolarHBondContact O-N 3.43Å; N89-E92 PolarHBondContact O-N 2.87Å; N89-I93 HydrophobicContact CB-CD1 4.1Å; N89-I93 VanDerWaalsContact O-CG1 3.32Å; N89-I93 WeakPolarHBondContact O-CG1 3.28Å; N89-I93 PolarHBondContact O-N 3.3Å
90T64.8Low75.4Confident70 Ų7083 Ų8343%0.42944%0.444SS..Hα-helixtrans-65.4-30.1-170.8-57.10000111.6C88 A94C88-T90 PolarHBondContact O-N 3.44Å; C88-T90 PolarHBondContact O-OG1 2.83Å; T90-A94 VanDerWaalsContact O-CB 3.25Å; T90-A94 WeakPolarHBondContact O-CB 3.36Å; T90-A94 PolarHBondContact O-N 2.88Å
91R69.6Low75.9Confident197 Ų19787.9 Ų87.974%0.74346%0.464SS*.Hα-helixtrans-69.7-52.7174.4-178168-175159.35111.8N89 I93 A94 D95N89-R91 PolarHBondContact O-N 3.43Å; R91-I93 PolarHBondContact O-N 3.14Å; R91-A94 PolarHBondContact O-N 3Å; R91-A94 VanDerWaalsContact O-N 3.07Å; R91-D95 VanDerWaalsContact CG-OD2 3.28Å; R91-D95 WeakPolarHBondContact CG-OD2 3.35Å; R91-D95 IonicContact NE-OD2 2.76Å; R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.43Å
92E75.4Confident76.4Confident111 Ų11189.2 Ų89.252%0.51948%0.481SS..Hα-helixtrans-60.6-35.6178.2-61.5179-176.600112.4N89 K96N89-E92 PolarHBondContact O-N 2.87Å; E92-K96 WeakPolarHBondContact O-CB 3.25Å; E92-K96 VanDerWaalsContact O-CG 3.27Å; E92-K96 WeakPolarHBondContact O-CG 3.38Å; E92-K96 PolarHBondContact O-N 3.46Å
93I79.1Confident77.3Confident109 Ų10988.5 Ų88.556%0.55948%0.48SS*.Hα-helixtrans-69.3-40.1175-65.9165.4000111.1N89 R91 L97N89-I93 HydrophobicContact CB-CD1 4.1Å; N89-I93 VanDerWaalsContact O-CG1 3.32Å; N89-I93 WeakPolarHBondContact O-CG1 3.28Å; N89-I93 PolarHBondContact O-N 3.3Å; R91-I93 PolarHBondContact O-N 3.14Å; I93-L97 WeakPolarHBondContact O-CB 3.45Å; I93-L97 PolarHBondContact O-N 3.35Å
94A82.1Confident78.8Confident44 Ų4493.1 Ų93.136%0.36450%0.501SS..Hα-helixtrans-69-42.7175.700000112.3T90 R91 L97 I98T90-A94 VanDerWaalsContact O-CB 3.25Å; T90-A94 WeakPolarHBondContact O-CB 3.36Å; T90-A94 PolarHBondContact O-N 2.88Å; R91-A94 PolarHBondContact O-N 3Å; R91-A94 VanDerWaalsContact O-N 3.07Å; A94-L97 PolarHBondContact O-N 2.97Å; A94-I98 WeakPolarHBondContact O-CG1 3.23Å; A94-I98 PolarHBondContact O-N 2.87Å
95D87.1Confident80.6Confident78 Ų7893.2 Ų93.242%0.41749%0.492SS..Hα-helixtrans-63-45.3178.5-65.2-20.1000109.8R91 L97 I98 E99R91-D95 VanDerWaalsContact CG-OD2 3.28Å; R91-D95 WeakPolarHBondContact CG-OD2 3.35Å; R91-D95 IonicContact NE-OD2 2.76Å; R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.43Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.81Å; D95-I98 WeakPolarHBondContact O-CB 3.39Å; D95-I98 PolarHBondContact O-N 3.39Å; D95-I98 VanDerWaalsContact O-N 3.16Å; D95-E99 PolarHBondContact O-N 2.89Å
96K89.1Confident82.6Confident122 Ų12298.8 Ų98.853%0.5351%0.513SS..Hα-helixtrans-63.9-33.1171.7-75177179-177.90114.1E92 I98 E99 L100E92-K96 WeakPolarHBondContact O-CB 3.25Å; E92-K96 VanDerWaalsContact O-CG 3.27Å; E92-K96 WeakPolarHBondContact O-CG 3.38Å; E92-K96 PolarHBondContact O-N 3.46Å; K96-I98 VanDerWaalsContact C-N 3.28Å; K96-E99 PolarHBondContact O-N 3.42Å; K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 2.89Å
97L90.9Very high84.8Confident91 Ų9197.5 Ų97.548%0.47650%0.499SS..Hα-helixtrans-72.3-23.3175.8-179.5148.4000112.1I93 A94 D95 K101I93-L97 WeakPolarHBondContact O-CB 3.45Å; I93-L97 PolarHBondContact O-N 3.35Å; A94-L97 PolarHBondContact O-N 2.97Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.81Å; L97-K101 HydrophobicContact CD2-CD 4.14Å; L97-K101 WeakPolarHBondContact O-CB 3.31Å; L97-K101 WeakPolarHBondContact O-CD 3.34Å; L97-K101 WeakPolarHBondContact O-CG 3.39Å
98I94.3Very high86.9Confident111 Ų111100.4 Ų100.457%0.56950%0.499SS*.Hα-helixtrans-78.2-46.2169.9-66.5160.9000109.8A94 D95 K96 K101 A102A94-I98 WeakPolarHBondContact O-CG1 3.23Å; A94-I98 PolarHBondContact O-N 2.87Å; D95-I98 WeakPolarHBondContact O-CB 3.39Å; D95-I98 PolarHBondContact O-N 3.39Å; D95-I98 VanDerWaalsContact O-N 3.16Å; K96-I98 VanDerWaalsContact C-N 3.28Å; I98-K101 PolarHBondContact O-N 3.24Å; I98-A102 PolarHBondContact O-N 3.36Å
99E95.6Very high89Confident127 Ų127106 Ų10659%0.59352%0.524SS*.Hα-helixtrans-55.1-56.8176.4-175.5174-14300112D95 K96 K101 A102 E103D95-E99 PolarHBondContact O-N 2.89Å; K96-E99 PolarHBondContact O-N 3.42Å; E99-K101 PolarHBondContact O-N 2.73Å; E99-A102 PolarHBondContact O-N 2.71Å; E99-A102 VanDerWaalsContact O-N 3.09Å; E99-E103 PolarHBondContact O-N 3.47Å
100L96.5Very high90.8Very high96 Ų96109.1 Ų109.150%0.50353%0.532SS..Hα-helixtrans-61.4-26178-71.6167.3000113.4K96 I104K96-L100 WeakPolarHBondContact O-CB 3.33Å; K96-L100 WeakPolarHBondContact O-CG 3.29Å; K96-L100 PolarHBondContact O-N 2.89Å; L100-I104 WeakPolarHBondContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CD1 3.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 2.87Å
101K97.1Very high92.4Very high131 Ų131111.9 Ų111.957%0.5754%0.54SS*.Hα-helixtrans-76-39.7174.9-82.4179.7177.7-170.80112.3L97 I98 E99 E103 I104 E105L97-K101 HydrophobicContact CD2-CD 4.14Å; L97-K101 WeakPolarHBondContact O-CB 3.31Å; L97-K101 WeakPolarHBondContact O-CD 3.34Å; L97-K101 WeakPolarHBondContact O-CG 3.39Å; I98-K101 PolarHBondContact O-N 3.24Å; E99-K101 PolarHBondContact O-N 2.73Å; K101-E103 VanDerWaalsContact C-N 3.34Å; K101-I104 PolarHBondContact O-N 3.43Å; K101-E105 WeakPolarHBondContact O-CB 3.28Å; K101-E105 PolarHBondContact O-N 3.21Å
102A97.6Very high93.8Very high55 Ų55108.1 Ų108.146%0.45553%0.53SS..Hα-helixtrans-65.2-40.4173.100000111I98 E99 E105 E106I98-A102 PolarHBondContact O-N 3.36Å; E99-A102 PolarHBondContact O-N 2.71Å; E99-A102 VanDerWaalsContact O-N 3.09Å; A102-E105 PolarHBondContact O-N 3.01Å; A102-E106 WeakPolarHBondContact O-CB 3.5Å; A102-E106 PolarHBondContact O-N 3.4Å
103E98Very high94.9Very high102 Ų102106.5 Ų106.548%0.47752%0.523SS..Hα-helixtrans-61.9-43.8174.3-173.2179.5-171.700111.9E99 K101 E105 E106 L107E99-E103 PolarHBondContact O-N 3.47Å; K101-E103 VanDerWaalsContact C-N 3.34Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 3.47Å; E103-E106 PolarHBondContact O-N 2.87Å; E103-L107 HydrophobicContact CG-CD1 4.04Å; E103-L107 HydrophobicContact CG-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CB 3.26Å; E103-L107 VanDerWaalsContact O-CG 3.24Å; E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 3.49Å
104I98.3Very high95.8Very high109 Ų109106 Ų10656%0.55952%0.521SS*.Hα-helixtrans-62.7-40.2174.4-72.8165.5000111.6L100 K101 Q108L100-I104 WeakPolarHBondContact O-CB 3.29Å; L100-I104 WeakPolarHBondContact O-CD1 3.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 2.87Å; K101-I104 PolarHBondContact O-N 3.43Å; I104-Q108 VanDerWaalsContact O-CB 3.27Å; I104-Q108 WeakPolarHBondContact O-CB 3.46Å; I104-Q108 PolarHBondContact O-N 3.23Å
105E98.3Very high96.6Very high143 Ų143107.4 Ų107.467%0.66852%0.522SS*.Hα-helixtrans-67.1-41.5177.4-171169.1-171.800111.8K101 A102 E103 Q108 Q109K101-E105 WeakPolarHBondContact O-CB 3.28Å; K101-E105 PolarHBondContact O-N 3.21Å; A102-E105 PolarHBondContact O-N 3.01Å; E103-E105 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 3.47Å; E105-Q108 PolarHBondContact O-N 3.26Å; E105-Q109 WeakPolarHBondContact O-CB 3.42Å; E105-Q109 PolarHBondContact O-N 2.65Å
106E98.5Very high97.2Very high132 Ų132108 Ų10862%0.61752%0.522SS*.Hα-helixtrans-63.8-46.7173.9-176.6176.8170.500111.8A102 E103 Q108 Q109 R110A102-E106 WeakPolarHBondContact O-CB 3.5Å; A102-E106 PolarHBondContact O-N 3.4Å; E103-E106 PolarHBondContact O-N 2.87Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.07Å; E106-Q109 WeakPolarHBondContact O-CB 3.32Å; E106-Q109 PolarHBondContact O-N 2.94Å; E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 3.49Å
107L98.6Very high97.6Very high102 Ų102105.7 Ų105.753%0.53451%0.513SS..Hα-helixtrans-63-39.7177-71.7172.1000111.8E103 Q109 R110 E111E103-L107 HydrophobicContact CG-CD1 4.04Å; E103-L107 HydrophobicContact CG-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CB 3.26Å; E103-L107 VanDerWaalsContact O-CG 3.24Å; E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 3.49Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.95Å; L107-R110 WeakPolarHBondContact O-CB 3.2Å; L107-R110 PolarHBondContact O-N 2.79Å; L107-E111 WeakPolarHBondContact O-CB 3.37Å; L107-E111 PolarHBondContact O-N 3.14Å
108Q98.6Very high98Very high109 Ų109106.6 Ų106.651%0.50951%0.514SS..Hα-helixtrans-67.5-33.1175.6-164.1-173.2-1.400112I104 E105 E106 Q112I104-Q108 VanDerWaalsContact O-CB 3.27Å; I104-Q108 WeakPolarHBondContact O-CB 3.46Å; I104-Q108 PolarHBondContact O-N 3.23Å; E105-Q108 PolarHBondContact O-N 3.26Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.07Å; Q108-Q112 WeakPolarHBondContact O-CG 3.43Å; Q108-Q112 PolarHBondContact O-N 2.84Å; Q108-Q112 PolarHBondContact O-NE2 3.03Å
109Q98.6Very high98.2Very high135 Ų135105 Ų10563%0.63151%0.509SS*.Hα-helixtrans-69-41.1171.2-172.9177.51400111.3E105 E106 L107 Q112 E113E105-Q109 WeakPolarHBondContact O-CB 3.42Å; E105-Q109 PolarHBondContact O-N 2.65Å; E106-Q109 WeakPolarHBondContact O-CB 3.32Å; E106-Q109 PolarHBondContact O-N 2.94Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.95Å; Q109-Q112 PolarHBondContact O-N 3.19Å; Q109-E113 PolarHBondContact O-N 3.43Å
110R98.5Very high98.3Very high118 Ų118106.2 Ų106.245%0.44551%0.508SS..Hα-helixtrans-61.6-42.1177-159.884.7-169.9105.29.2111.9E106 L107 E113 L114E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 3.49Å; L107-R110 WeakPolarHBondContact O-CB 3.2Å; L107-R110 PolarHBondContact O-N 2.79Å; R110-E113 IonicContact CZ-OE1 2.91Å; R110-E113 IonicContact NH1-OE1 3.67Å; R110-E113 PolarHBondContact NH1-OE1 3.24Å; R110-E113 IonicContact NH1-OE2 3.72Å; R110-E113 PolarHBondContact NH1-OE2 2.89Å; R110-E113 PolarHBondContact O-N 2.99Å; R110-L114 VanDerWaalsContact O-CG 3.31Å; R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.33Å
111E98.7Very high98.4Very high128 Ų128105.7 Ų105.760%0.59851%0.509SS*.Hα-helixtrans-61.3-48.1175.1-175.8175.8-147.600111.4L107 E113 L114 D115L107-E111 WeakPolarHBondContact O-CB 3.37Å; L107-E111 PolarHBondContact O-N 3.14Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.21Å; E111-L114 PolarHBondContact O-N 3.42Å; E111-D115 PolarHBondContact O-N 2.9Å
112Q98.6Very high98.5Very high117 Ų117104.6 Ų104.655%0.54751%0.506SS..Hα-helixtrans-61.3-39.4176.9-73.7168.665.600112.9Q108 Q109 Q116Q108-Q112 WeakPolarHBondContact O-CG 3.43Å; Q108-Q112 PolarHBondContact O-N 2.84Å; Q108-Q112 PolarHBondContact O-NE2 3.03Å; Q109-Q112 PolarHBondContact O-N 3.19Å; Q112-Q116 VanDerWaalsContact O-CB 3.3Å; Q112-Q116 WeakPolarHBondContact O-CB 3.34Å; Q112-Q116 PolarHBondContact O-N 2.95Å
113E98.6Very high98.5Very high78 Ų78105.7 Ų105.736%0.36450%0.501SS..Hα-helixtrans-62.6-46.7174.2-172.4-163.112800111.3Q109 R110 E111 Q116 H117Q109-E113 PolarHBondContact O-N 3.43Å; R110-E113 IonicContact CZ-OE1 2.91Å; R110-E113 IonicContact NH1-OE1 3.67Å; R110-E113 PolarHBondContact NH1-OE1 3.24Å; R110-E113 IonicContact NH1-OE2 3.72Å; R110-E113 PolarHBondContact NH1-OE2 2.89Å; R110-E113 PolarHBondContact O-N 2.99Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.21Å; E113-Q116 PolarHBondContact O-N 3.15Å; E113-H117 WeakPolarHBondContact O-CB 3.48Å; E113-H117 PolarHBondContact O-CD2 2.93Å; E113-H117 VanDerWaalsContact O-CG 3.23Å; E113-H117 PolarHBondContact O-N 2.96Å; E113-H117 IonicContact OE1-CE1 2.73Å; E113-H117 PolarHBondContact OE1-CE1 3.17Å; E113-H117 VanDerWaalsContact OE1-CE1 3.24Å; E113-H117 IonicContact OE1-ND1 3.87Å
114L98.7Very high98.5Very high97 Ų97104.1 Ų104.151%0.50850%0.502SS..Hα-helixtrans-65.1-40.6179.5-72.1170.5000112.4R110 E111 H117 K118R110-L114 VanDerWaalsContact O-CG 3.31Å; R110-L114 WeakPolarHBondContact O-CG 3.4Å; R110-L114 PolarHBondContact O-N 3.33Å; E111-L114 PolarHBondContact O-N 3.42Å; L114-H117 PolarHBondContact O-N 3.25Å; L114-K118 VanDerWaalsContact O-CB 3.28Å; L114-K118 WeakPolarHBondContact O-CB 3.24Å; L114-K118 PolarHBondContact O-N 3.27Å
115D98.7Very high98.5Very high75 Ų75103.5 Ų103.540%0.40150%0.498SS..Hα-helixtrans-67-37.8174.2-109.9-10.1000111.8E111 K118 V119E111-D115 PolarHBondContact O-N 2.9Å; D115-K118 WeakPolarHBondContact O-CB 3.39Å; D115-K118 PolarHBondContact O-N 3.09Å; D115-K118 WeakPolarHBondContact OD1-CD 3.27Å; D115-K118 WeakPolarHBondContact OD1-CE 3.49Å; D115-K118 IonicContact OD1-NZ 3.8Å; D115-K118 PolarHBondContact OD1-NZ 3.26Å; D115-V119 WeakPolarHBondContact O-CG2 3.41Å; D115-V119 PolarHBondContact O-N 3.44Å
116Q98.6Very high98.4Very high89 Ų89102 Ų10242%0.41649%0.487SS..Hα-helixtrans-64.5-42174.2-177.559.8100.900111.7Q112 E113 V119 W120Q112-Q116 VanDerWaalsContact O-CB 3.3Å; Q112-Q116 WeakPolarHBondContact O-CB 3.34Å; Q112-Q116 PolarHBondContact O-N 2.95Å; E113-Q116 PolarHBondContact O-N 3.15Å; Q116-V119 PolarHBondContact O-N 3.05Å; Q116-W120 HydrophobicContact CG-CD2 4.25Å; Q116-W120 HydrophobicContact CG-CH2 4.02Å; Q116-W120 HydrophobicContact CG-CZ2 3.52Å; Q116-W120 PolarHBondContact O-N 2.87Å
117H98.6Very high98.3Very high74 Ų74100.3 Ų100.334%0.34348%0.482SS..Hα-helixtrans-63.4-43.1174-69.9173.7000112E113 L114 V119 W120 V121E113-H117 WeakPolarHBondContact O-CB 3.48Å; E113-H117 PolarHBondContact O-CD2 2.93Å; E113-H117 VanDerWaalsContact O-CG 3.23Å; E113-H117 PolarHBondContact O-N 2.96Å; E113-H117 IonicContact OE1-CE1 2.73Å; E113-H117 PolarHBondContact OE1-CE1 3.17Å; E113-H117 VanDerWaalsContact OE1-CE1 3.24Å; E113-H117 IonicContact OE1-ND1 3.87Å; L114-H117 PolarHBondContact O-N 3.25Å; H117-V119 PolarHBondContact O-N 3.39Å; H117-W120 AromaticContact CD2-CE3 3.54Å; H117-W120 AromaticContact CD2-CZ3 3.37Å; H117-W120 WeakPolarHBondContact CD2-CZ3 3.3Å; H117-W120 AromaticContact NE2-CZ3 3.69Å; H117-W120 PolarHBondContact O-N 2.92Å; H117-V121 WeakPolarHBondContact O-CG2 3.46Å; H117-V121 PolarHBondContact O-N 3.46Å
118K98.6Very high98.2Very high111 Ų11199.2 Ų99.248%0.48348%0.479SS..Hα-helixtrans-58.2-44.8174.3165.7177.7144.3-155.10111.8L114 D115 V121 Q122L114-K118 VanDerWaalsContact O-CB 3.28Å; L114-K118 WeakPolarHBondContact O-CB 3.24Å; L114-K118 PolarHBondContact O-N 3.27Å; D115-K118 WeakPolarHBondContact O-CB 3.39Å; D115-K118 PolarHBondContact O-N 3.09Å; D115-K118 WeakPolarHBondContact OD1-CD 3.27Å; D115-K118 WeakPolarHBondContact OD1-CE 3.49Å; D115-K118 IonicContact OD1-NZ 3.8Å; D115-K118 PolarHBondContact OD1-NZ 3.26Å; K118-V121 PolarHBondContact O-N 3.47Å; K118-Q122 WeakPolarHBondContact O-CB 3.33Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 3Å
119V98.6Very high98.1Very high76 Ų7698.4 Ų98.446%0.46148%0.482SS..Hα-helixtrans-64.5-41.2175170.80000111.7D115 Q116 H117 Q122 Q123D115-V119 WeakPolarHBondContact O-CG2 3.41Å; D115-V119 PolarHBondContact O-N 3.44Å; Q116-V119 PolarHBondContact O-N 3.05Å; H117-V119 PolarHBondContact O-N 3.39Å; V119-Q122 PolarHBondContact O-N 2.96Å; V119-Q123 WeakPolarHBondContact O-CB 3.35Å; V119-Q123 PolarHBondContact O-N 2.96Å
120W98.4Very high97.9Very high153 Ų15398.4 Ų98.458%0.5848%0.482SS*.Hα-helixtrans-63.2-44.4175.3-67.9-18000112.5Q116 H117 Q123 S124Q116-W120 HydrophobicContact CG-CD2 4.25Å; Q116-W120 HydrophobicContact CG-CH2 4.02Å; Q116-W120 HydrophobicContact CG-CZ2 3.52Å; Q116-W120 PolarHBondContact O-N 2.87Å; H117-W120 AromaticContact CD2-CE3 3.54Å; H117-W120 AromaticContact CD2-CZ3 3.37Å; H117-W120 WeakPolarHBondContact CD2-CZ3 3.3Å; H117-W120 AromaticContact NE2-CZ3 3.69Å; H117-W120 PolarHBondContact O-N 2.92Å; W120-Q123 PolarHBondContact O-N 3.44Å; W120-S124 VanDerWaalsContact O-CB 3.25Å; W120-S124 WeakPolarHBondContact O-CB 3.48Å; W120-S124 PolarHBondContact O-N 3.04Å
121V98.7Very high97.7Very high86 Ų8696 Ų9652%0.52148%0.478SS..Hα-helixtrans-66.2-43177.5172.50000111H117 K118 Q123 S124 I125H117-V121 WeakPolarHBondContact O-CG2 3.46Å; H117-V121 PolarHBondContact O-N 3.46Å; K118-V121 PolarHBondContact O-N 3.47Å; V121-Q123 PolarHBondContact O-N 2.86Å; V121-S124 PolarHBondContact O-N 3.01Å; V121-I125 HydrophobicContact CG1-CD1 3.85Å; V121-I125 HydrophobicContact CG1-CG1 4.39Å; V121-I125 VanDerWaalsContact O-CG1 3.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 3.05Å
122Q98.4Very high97.5Very high108 Ų10895.3 Ų95.351%0.50548%0.482SS..Hα-helixtrans-60.7-43.2175.3-76.4177.6-13.300112.4K118 V119 R126K118-Q122 WeakPolarHBondContact O-CB 3.33Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.35Å; K118-Q122 PolarHBondContact O-N 3Å; V119-Q122 PolarHBondContact O-N 2.96Å; Q122-R126 WeakPolarHBondContact O-CB 3.49Å; Q122-R126 PolarHBondContact O-N 2.79Å
123Q98.3Very high97.3Very high77 Ų7796.5 Ų96.536%0.3649%0.487SS..Hα-helixtrans-71.2-32.8175.7-171.560.342.400112.1V119 W120 V121 R126 N127V119-Q123 WeakPolarHBondContact O-CB 3.35Å; V119-Q123 PolarHBondContact O-N 2.96Å; W120-Q123 PolarHBondContact O-N 3.44Å; V121-Q123 PolarHBondContact O-N 2.86Å; Q123-R126 PolarHBondContact O-N 2.64Å; Q123-N127 PolarHBondContact NE2-OD1 3.39Å; Q123-N127 WeakPolarHBondContact O-CB 3.38Å; Q123-N127 PolarHBondContact O-N 2.76Å; Q123-N127 PolarHBondContact O-ND2 2.91Å; Q123-N127 PolarHBondContact O-OD1 2.84Å
124S98.3Very high97.1Very high70 Ų7095.3 Ų95.349%0.4948%0.484SS..Hα-helixtrans-65.9-45.7174.8-177.30000111.7W120 V121 N127 V128W120-S124 VanDerWaalsContact O-CB 3.25Å; W120-S124 WeakPolarHBondContact O-CB 3.48Å; W120-S124 PolarHBondContact O-N 3.04Å; V121-S124 PolarHBondContact O-N 3.01Å; S124-N127 PolarHBondContact O-N 3.07Å; S124-V128 PolarHBondContact O-N 3.14Å; S124-V128 VanDerWaalsContact O-N 3.12Å
125I97.8Very high96.7Very high95 Ų9594.4 Ų94.449%0.48749%0.485SS..Hα-helixtrans-56.8-51.8172-69.4166.9000109.5V121 N127 V128 T129V121-I125 HydrophobicContact CG1-CD1 3.85Å; V121-I125 HydrophobicContact CG1-CG1 4.39Å; V121-I125 VanDerWaalsContact O-CG1 3.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 3.05Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.44Å; I125-V128 VanDerWaalsContact O-CG2 3.25Å; I125-V128 WeakPolarHBondContact O-CG2 3.32Å; I125-V128 PolarHBondContact O-N 2.96Å; I125-V128 VanDerWaalsContact O-N 3.14Å; I125-T129 HydrophobicContact CG2-CG2 4.2Å; I125-T129 WeakPolarHBondContact O-CG2 3.36Å; I125-T129 PolarHBondContact O-N 3.43Å; I125-T129 PolarHBondContact O-OG1 2.9Å
126R96.8Very high96.3Very high113 Ų11395.8 Ų95.843%0.42650%0.5SS..Hα-helixtrans-52.6-51.1177-175.6-179.4-72.7126.10.9111.8Q122 Q123 V128 T129 E130Q122-R126 WeakPolarHBondContact O-CB 3.49Å; Q122-R126 PolarHBondContact O-N 2.79Å; Q123-R126 PolarHBondContact O-N 2.64Å; R126-V128 VanDerWaalsContact C-N 3.28Å; R126-V128 PolarHBondContact O-N 3.16Å; R126-T129 PolarHBondContact O-N 3.17Å; R126-T129 PolarHBondContact O-OG1 3.2Å; R126-E130 WeakPolarHBondContact CD-OE2 3.28Å; R126-E130 HydrophobicContact CG-CG 4.03Å; R126-E130 WeakPolarHBondContact CG-OE1 3.36Å; R126-E130 WeakPolarHBondContact CG-OE2 3.26Å; R126-E130 IonicContact NE-OE1 3.15Å; R126-E130 WeakPolarHBondContact O-CB 3.36Å; R126-E130 PolarHBondContact O-N 3Å
127N96.6Very high96.1Very high96 Ų9697.1 Ų97.151%0.51351%0.509SS..Hα-helixtrans-57.5-38.6-179.1-70.8-9.4000112.5Q123 S124 I125Q123-N127 PolarHBondContact NE2-OD1 3.39Å; Q123-N127 WeakPolarHBondContact O-CB 3.38Å; Q123-N127 PolarHBondContact O-N 2.76Å; Q123-N127 PolarHBondContact O-ND2 2.91Å; Q123-N127 PolarHBondContact O-OD1 2.84Å; S124-N127 PolarHBondContact O-N 3.07Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.44Å
128V96.7Very high95.9Very high79 Ų7998.2 Ų98.248%0.47953%0.531SS..Hα-helixtrans-82.9-29.7179.6-58.90000113.2S124 I125 R126 N134S124-V128 PolarHBondContact O-N 3.14Å; S124-V128 VanDerWaalsContact O-N 3.12Å; I125-V128 VanDerWaalsContact O-CG2 3.25Å; I125-V128 WeakPolarHBondContact O-CG2 3.32Å; I125-V128 PolarHBondContact O-N 2.96Å; I125-V128 VanDerWaalsContact O-N 3.14Å; R126-V128 VanDerWaalsContact C-N 3.28Å; R126-V128 PolarHBondContact O-N 3.16Å; V128-N134 WeakPolarHBondContact O-CB 3.27Å; V128-N134 PolarHBondContact O-ND2 2.98Å
129T95.4Very high95.7Very high91 Ų91100.9 Ų100.956%0.55854%0.539SS*.Hα-helixtrans-82.2-30.8178.955.90000113.8I125 R126I125-T129 HydrophobicContact CG2-CG2 4.2Å; I125-T129 WeakPolarHBondContact O-CG2 3.36Å; I125-T129 PolarHBondContact O-N 3.43Å; I125-T129 PolarHBondContact O-OG1 2.9Å; R126-T129 PolarHBondContact O-N 3.17Å; R126-T129 PolarHBondContact O-OG1 3.2Å
130E94.3Very high95.6Very high135 Ų135102 Ų10263%0.63155%0.546SS*.SBendtrans-89.5-2179.4-64.4179.2179.400112.7R126 V132R126-E130 WeakPolarHBondContact CD-OE2 3.28Å; R126-E130 HydrophobicContact CG-CG 4.03Å; R126-E130 WeakPolarHBondContact CG-OE1 3.36Å; R126-E130 WeakPolarHBondContact CG-OE2 3.26Å; R126-E130 IonicContact NE-OE1 3.15Å; R126-E130 WeakPolarHBondContact O-CB 3.36Å; R126-E130 PolarHBondContact O-N 3Å; E130-V132 PolarHBondContact O-N 3.02Å
131D95.4Very high95.4Very high68 Ų6897.6 Ų97.636%0.36454%0.536SS..  trans-69.2125.5172.8-167.5-21.2000111.1Q133 N134 S135D131-Q133 PolarHBondContact O-N 3.23Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.4Å; D131-Q133 WeakPolarHBondContact OD1-CG 3.46Å; D131-Q133 PolarHBondContact OD1-N 3.28Å; D131-N134 HydrophobicContact CB-CB 4.32Å; D131-N134 PolarHBondContact O-N 2.8Å; D131-S135 PolarHBondContact O-N 3.36Å; D131-S135 VanDerWaalsContact O-N 3.1Å; D131-S135 PolarHBondContact O-OG 3.08Å; D131-S135 VanDerWaalsContact O-OG 3.08Å
132V94.2Very high95Very high113 Ų11398.9 Ų98.969%0.68554%0.536SS*.THydrogen-bonded Turntrans-59.2-29.5176.1-177.20000111.8E130E130-V132 PolarHBondContact O-N 3.02Å
133Q94.3Very high94.7Very high142 Ų14299.7 Ų99.766%0.66454%0.54SS*.THydrogen-bonded Turntrans-68.5-36.4175.4-55.9-49.7-75.400112.1D131D131-Q133 PolarHBondContact O-N 3.23Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.4Å; D131-Q133 WeakPolarHBondContact OD1-CG 3.46Å; D131-Q133 PolarHBondContact OD1-N 3.28Å
134N93.8Very high94.5Very high53 Ų5398.8 Ų98.828%0.28354%0.538SS..G310 helixtrans-84.9-15.4-178.2-62.5-24.6000113V128 D131 C136 L137 A138V128-N134 WeakPolarHBondContact O-CB 3.27Å; V128-N134 PolarHBondContact O-ND2 2.98Å; D131-N134 HydrophobicContact CB-CB 4.32Å; D131-N134 PolarHBondContact O-N 2.8Å; N134-C136 PolarHBondContact O-N 3.03Å; N134-C136 VanDerWaalsContact O-N 3.11Å; N134-L137 PolarHBondContact O-N 2.85Å; N134-A138 PolarHBondContact O-N 2.66Å; N134-A138 VanDerWaalsContact O-N 3.15Å
135S89.6Confident94.2Very high78 Ų7898 Ų9855%0.54553%0.528SS..G310 helixtrans-56.6-27.1-180-65.60000113.9D131D131-S135 PolarHBondContact O-N 3.36Å; D131-S135 VanDerWaalsContact O-N 3.1Å; D131-S135 PolarHBondContact O-OG 3.08Å; D131-S135 VanDerWaalsContact O-OG 3.08Å
136C91.2Very high93.9Very high105 Ų10595 Ų9571%0.70951%0.514SS*.G310 helixtrans-98.92.5175.4-64.80000114N134 Y139N134-C136 PolarHBondContact O-N 3.03Å; N134-C136 VanDerWaalsContact O-N 3.11Å; C136-Y139 WeakPolarHBondContact O-CD1 3.19Å; C136-Y139 WeakPolarHBondContact O-CE1 3.44Å
137L95.1Very high93.7Very high116 Ų11696.4 Ų96.461%0.60752%0.52SS*.THydrogen-bonded Turntrans-112.5-19.3-175.7-57.9-180000113N134 Y139N134-L137 PolarHBondContact O-N 2.85Å; L137-Y139 PolarHBondContact O-N 3.3Å
138A94.6Very high93.6Very high97 Ų9796.2 Ų96.280%0.80253%0.525SS*.  trans-76.965177.300000112.7N134N134-A138 PolarHBondContact O-N 2.66Å; N134-A138 VanDerWaalsContact O-N 3.15Å
139Y94Very high93.3Very high167 Ų16797.5 Ų97.566%0.65552%0.524SS*.  trans-138.5169.1175.270.4-89000112C136 L137 T141C136-Y139 WeakPolarHBondContact O-CD1 3.19Å; C136-Y139 WeakPolarHBondContact O-CE1 3.44Å; L137-Y139 PolarHBondContact O-N 3.3Å; Y139-T141 HydrophobicContact CE2-CG2 4.39Å
140V95.4Very high92.9Very high99 Ų9997.4 Ų97.460%0.653%0.533SS*.  trans-124.7150.5173-680000109I145V140-I145 HydrophobicContact CB-CG1 4.43Å; V140-I145 HydrophobicContact CG2-CD1 3.96Å; V140-I145 HydrophobicContact CG2-CG1 3.77Å
141T94.4Very high92.5Very high61 Ų6194.1 Ų94.137%0.37454%0.535SS..  trans-85163.9178.776.90000111.9Y139 E143 D144 I145Y139-T141 HydrophobicContact CE2-CG2 4.39Å; T141-E143 PolarHBondContact O-N 3.02Å; T141-E143 PolarHBondContact OG1-N 3.29Å; T141-D144 VanDerWaalsContact CB-OD2 3.3Å; T141-D144 WeakPolarHBondContact CB-OD2 3.18Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.45Å; T141-D144 PolarHBondContact N-OD2 2.92Å; T141-D144 VanDerWaalsContact N-OD2 3.11Å; T141-D144 PolarHBondContact O-N 2.8Å; T141-D144 PolarHBondContact OG1-N 3.27Å; T141-D144 VanDerWaalsContact OG1-N 3.16Å; T141-D144 PolarHBondContact OG1-OD2 2.94Å; T141-I145 PolarHBondContact O-N 3.09Å
142H90.7Very high92.2Very high113 Ų11395.2 Ų95.252%0.52354%0.54SS..Hα-helixtrans-55.2-40.1167.7165.3-81000111.7C146H142-C146 WeakPolarHBondContact O-CB 3.37Å; H142-C146 PolarHBondContact O-N 2.99Å; H142-C146 PolarHBondContact O-SG 2.99Å; H142-C146 VanDerWaalsContact O-SG 3.38Å
143E92.1Very high92.1Very high125 Ų12595.1 Ų95.158%0.58454%0.541SS*.Hα-helixtrans-65.8-41-178.9-160.9-170.413700111.2T141 C146 R147T141-E143 PolarHBondContact O-N 3.02Å; T141-E143 PolarHBondContact OG1-N 3.29Å; E143-C146 PolarHBondContact O-N 3.35Å; E143-R147 VanDerWaalsContact CD-NH2 3.27Å; E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 2.97Å; E143-R147 IonicContact OE1-CZ 3.66Å; E143-R147 IonicContact OE1-NE 3.85Å; E143-R147 IonicContact OE1-NH2 2.7Å; E143-R147 PolarHBondContact OE1-NH2 2.66Å
144D93.6Very high92Very high58 Ų5889.5 Ų89.531%0.3152%0.515SS..Hα-helixtrans-64.1-44.4179.9-55.3-51.7000112T141 R147 C148T141-D144 VanDerWaalsContact CB-OD2 3.3Å; T141-D144 WeakPolarHBondContact CB-OD2 3.18Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.45Å; T141-D144 PolarHBondContact N-OD2 2.92Å; T141-D144 VanDerWaalsContact N-OD2 3.11Å; T141-D144 PolarHBondContact O-N 2.8Å; T141-D144 PolarHBondContact OG1-N 3.27Å; T141-D144 VanDerWaalsContact OG1-N 3.16Å; T141-D144 PolarHBondContact OG1-OD2 2.94Å; D144-R147 PolarHBondContact O-N 3.32Å; D144-R147 IonicContact OD1-CZ 3.64Å; D144-R147 IonicContact OD1-NH1 2.78Å; D144-R147 PolarHBondContact OD1-NH1 3.41Å; D144-R147 IonicContact OD1-NH2 3.58Å; D144-C148 PolarHBondContact O-N 2.87Å; D144-C148 PolarHBondContact O-SG 3.29Å
145I93.3Very high92Very high55 Ų5592.2 Ų92.228%0.28253%0.529SS..Hα-helixtrans-66.7-46.1177.9-69.6-61.5000111.7V140 T141 R147 C148 F149 L154 V195V140-I145 HydrophobicContact CB-CG1 4.43Å; V140-I145 HydrophobicContact CG2-CD1 3.96Å; V140-I145 HydrophobicContact CG2-CG1 3.77Å; T141-I145 PolarHBondContact O-N 3.09Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.32Å; I145-C148 PolarHBondContact O-N 3.01Å; I145-F149 PolarHBondContact O-N 3.22Å; I145-L154 HydrophobicContact CG2-CD1 3.88Å; I145-V195 HydrophobicContact CG2-CG1 4.07Å
146C90.8Very high92.3Very high30 Ų3090.4 Ų90.420%0.20352%0.518CS..Hα-helixtrans-71.2-22.9179.2-66.70000113H142 E143H142-C146 WeakPolarHBondContact O-CB 3.37Å; H142-C146 PolarHBondContact O-N 2.99Å; H142-C146 PolarHBondContact O-SG 2.99Å; H142-C146 VanDerWaalsContact O-SG 3.38Å; E143-C146 PolarHBondContact O-N 3.35Å
147R92.1Very high92.5Very high144 Ų14488.9 Ų88.954%0.54350%0.503SS..Hα-helixtrans-72.9-31.1172.1-165.9-170.4-54.8117.7-4.3112.2E143 D144 I145E143-R147 VanDerWaalsContact CD-NH2 3.27Å; E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 2.97Å; E143-R147 IonicContact OE1-CZ 3.66Å; E143-R147 IonicContact OE1-NE 3.85Å; E143-R147 IonicContact OE1-NH2 2.7Å; E143-R147 PolarHBondContact OE1-NH2 2.66Å; D144-R147 PolarHBondContact O-N 3.32Å; D144-R147 IonicContact OD1-CZ 3.64Å; D144-R147 IonicContact OD1-NH1 2.78Å; D144-R147 PolarHBondContact OD1-NH1 3.41Å; D144-R147 IonicContact OD1-NH2 3.58Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 3.32Å
148C93.9Very high92.6Very high92 Ų9291.1 Ų91.162%0.62250%0.503SS*.Hα-helixtrans-75.4-28.8176.4-70.10000113.7D144 I145D144-C148 PolarHBondContact O-N 2.87Å; D144-C148 PolarHBondContact O-SG 3.29Å; I145-C148 PolarHBondContact O-N 3.01Å
149F91.2Very high92.7Very high106 Ų10688.7 Ų88.747%0.46548%0.483SS..SBendtrans-135.265.3-173.2-55.5-79.4000111I145 G151 D152 L154I145-F149 PolarHBondContact O-N 3.22Å; F149-G151 PolarHBondContact O-N 3.22Å; F149-D152 HydrophobicContact CB-CB 4.3Å; F149-D152 PolarHBondContact O-N 2.99Å; F149-L154 HydrophobicContact CB-CD1 3.89Å; F149-L154 HydrophobicContact CB-CD2 3.62Å; F149-L154 HydrophobicContact CB-CG 4.29Å; F149-L154 HydrophobicContact CD2-CD2 4.15Å; F149-L154 HydrophobicContact CG-CD2 3.98Å
150A87.8Confident92.8Very high89 Ų8982.4 Ų82.474%0.73646%0.463SS*.THydrogen-bonded Turntrans-72.4117.4-17300000112.2
151G85.3Confident92.8Very high65 Ų6583.4 Ų83.467%0.6747%0.474SS*.THydrogen-bonded Turntrans97.4-5.4-179.700000114.9F149F149-G151 PolarHBondContact O-N 3.22Å
152D89.9Confident92.8Very high91 Ų9184.1 Ų84.149%0.48749%0.493SS..SBendtrans-86.1156.1178.2-75.4-43.9000113.1F149 L154 N196F149-D152 HydrophobicContact CB-CB 4.3Å; F149-D152 PolarHBondContact O-N 2.99Å; D152-L154 HydrophobicContact CB-CD2 3.98Å; D152-L154 HydrophobicContact CB-CG 4.29Å; D152-N196 PolarHBondContact O-ND2 3.07Å
153T90.8Very high93.1Very high112 Ų11280.1 Ų80.169%0.68748%0.477SS*.  trans-87.5108.4168.5-61.80000109.7L194T153-L194 HydrophobicContact CG2-CD1 3.93Å
154L93.4Very high93.3Very high23 Ų2377.3 Ų77.312%0.1247%0.471CS..  trans-104126.4-167.2-63.1171000112.9I145 F149 D152 V195I145-L154 HydrophobicContact CG2-CD1 3.88Å; F149-L154 HydrophobicContact CB-CD1 3.89Å; F149-L154 HydrophobicContact CB-CD2 3.62Å; F149-L154 HydrophobicContact CB-CG 4.29Å; F149-L154 HydrophobicContact CD2-CD2 4.15Å; F149-L154 HydrophobicContact CG-CD2 3.98Å; D152-L154 HydrophobicContact CB-CD2 3.98Å; D152-L154 HydrophobicContact CB-CG 4.29Å; L154-V195 HydrophobicContact CB-CB 4.01Å; L154-V195 HydrophobicContact CB-CG2 4.48Å; L154-V195 PolarHBondContact O-N 2.9Å
155L93.9Very high93.4Very high110 Ų11079.6 Ų79.658%0.57648%0.483SS*.EExtended strand (participates in β ladder)trans-115.2112.9176.6-64.3176.6000110.3V192 L193 L194L155-V192 HydrophobicContact CB-CG1 4.37Å; L155-V192 HydrophobicContact CD2-CG1 4.31Å; L155-L193 WeakPolarHBondContact CA-O 3.26Å; L155-L194 HydrophobicContact CD2-CB 4.32Å; L155-L194 HydrophobicContact CD2-CD1 4Å
156A94.9Very high93.5Very high40 Ų4081.7 Ų81.733%0.33149%0.492SS..EExtended strand (participates in β ladder)trans-89.6115.7172.300000109.8V192 L193 V195A156-V192 WeakPolarHBondContact O-CA 3.46Å; A156-L193 HydrophobicContact CB-CB 4.37Å; A156-L193 PolarHBondContact N-O 3.28Å; A156-L193 PolarHBondContact O-N 3Å; A156-V195 HydrophobicContact CB-CG2 3.81Å
157I96.1Very high93.7Very high74 Ų7484.4 Ų84.438%0.37951%0.507SS..EExtended strand (participates in β ladder)trans-101.9122.5-178.1-58.7162.2000109L183 I190 V192I157-L183 HydrophobicContact CD1-CD1 4.02Å; I157-L183 HydrophobicContact CG1-CD1 4.39Å; I157-L183 HydrophobicContact CG2-CD1 3.97Å; I157-I190 HydrophobicContact CG2-CG2 3.98Å; I157-V192 HydrophobicContact CG1-CG1 4.28Å; I157-V192 HydrophobicContact CG1-CG2 4.3Å; I157-V192 HydrophobicContact CG2-CG2 4.48Å
158R96Very high93.6Very high162 Ų16280.4 Ų80.461%0.61150%0.499SS*.EExtended strand (participates in β ladder)trans-113.9114.2172.5-62.5179.172-142.49.4108.7E191R158-E191 HydrophobicContact CB-CB 4.25Å; R158-E191 WeakPolarHBondContact CD-OE2 3.27Å; R158-E191 IonicContact CZ-OE2 3.14Å; R158-E191 PolarHBondContact N-O 3.01Å; R158-E191 IonicContact NE-OE2 2.86Å; R158-E191 IonicContact NH1-OE2 3.32Å; R158-E191 PolarHBondContact NH1-OE2 2.8Å; R158-E191 PolarHBondContact O-N 3.04Å
159A96.5Very high93.3Very high47 Ų4783 Ų8339%0.38851%0.506SS..  trans-135.6153.2-175.900000111.5T163 I190A159-T163 HydrophobicContact CB-CG2 3.88Å; A159-I190 HydrophobicContact CB-CG1 4.12Å; A159-I190 HydrophobicContact CB-CG2 4.08Å
160P97.2Very high93Very high35 Ų3579.1 Ų79.123%0.22749%0.491CS..  trans-58.3150.8170.2-24.334.9000112.3T163 P189P160-T163 VanDerWaalsContact O-CB 3.28Å; P160-T163 WeakPolarHBondContact O-CB 3.42Å; P160-T163 PolarHBondContact O-N 2.87Å; P160-T163 VanDerWaalsContact O-N 3.15Å; P160-T163 PolarHBondContact O-OG1 3.45Å; P160-P189 WeakPolarHBondContact CD-O 3.33Å
161S94.8Very high92.4Very high119 Ų11983.6 Ų83.683%0.83250%0.497SS*.THydrogen-bonded Turntrans-58.6141.9171.846.10000111.1T163S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 3.4Å
162G94.3Very high91.3Very high76 Ų7682.6 Ų82.678%0.78449%0.486SS*.THydrogen-bonded Turntrans77.47.3-172.700000115.1S164G162-S164 PolarHBondContact O-N 3.49Å
163T97.1Very high89.7Confident30 Ų3086.3 Ų86.318%0.18451%0.505CS..  trans-62.1127.7165.4-64.40000109.9A159 P160 S161 S185 I190A159-T163 HydrophobicContact CB-CG2 3.88Å; P160-T163 VanDerWaalsContact O-CB 3.28Å; P160-T163 WeakPolarHBondContact O-CB 3.42Å; P160-T163 PolarHBondContact O-N 2.87Å; P160-T163 VanDerWaalsContact O-N 3.15Å; P160-T163 PolarHBondContact O-OG1 3.45Å; S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 3.4Å; T163-S185 WeakPolarHBondContact OG1-CB 3.43Å; T163-S185 PolarHBondContact OG1-OG 2.93Å; T163-I190 HydrophobicContact CG2-CD1 3.66Å; T163-I190 HydrophobicContact CG2-CG1 4.41Å
164S96.7Very high88.3Confident65 Ų6588.6 Ų88.646%0.45551%0.513SS..EExtended strand (participates in β ladder)trans-75.5130.3173.9-169.70000110.2G162 L183 K184G162-S164 PolarHBondContact O-N 3.49Å; S164-L183 WeakPolarHBondContact O-CA 3.34Å; S164-K184 PolarHBondContact N-O 3.16Å; S164-K184 PolarHBondContact O-N 3.41Å
165L96.3Very high86.8Confident106 Ų10690.9 Ų90.956%0.55554%0.543SS*.EExtended strand (participates in β ladder)trans-116.3117.8168.1-174.8160.3000107.2V167 I181 H182 L183L165-V167 HydrophobicContact CD2-CG2 3.72Å; L165-I181 HydrophobicContact CD2-CG2 4.24Å; L165-I181 HydrophobicContact CG-CG2 4.08Å; L165-H182 WeakPolarHBondContact CA-O 3.15Å; L165-L183 HydrophobicContact CB-CD2 3.92Å; L165-L183 HydrophobicContact CD1-CD2 3.82Å; L165-L183 HydrophobicContact CG-CD2 3.66Å
166E95.4Very high85.5Confident100 Ų10094 Ų9447%0.46755%0.554SS.*EExtended strand (participates in β ladder)trans-120.7131-175.9173.3-179.9-145.200109.3H182E166-H182 HydrophobicContact CB-CB 4.21Å; E166-H182 PolarHBondContact N-O 3.03Å; E166-H182 PolarHBondContact O-N 2.92Å; E166-H182 IonicContact OE2-CE1 2.67Å; E166-H182 IonicContact OE2-CG 3.59Å; E166-H182 IonicContact OE2-ND1 2.67Å; E166-H182 PolarHBondContact OE2-ND1 2.92Å
167V95Very high84.7Confident87 Ų8796.9 Ų96.953%0.52756%0.56SS.*  trans-123.9100.4176.6-175.40000107.8L165 I181L165-V167 HydrophobicContact CD2-CG2 3.72Å; V167-I181 HydrophobicContact CG2-CG1 4.32Å
168P89.6Confident84.1Confident59 Ų59100.4 Ų100.438%0.38357%0.572SS.*  trans-61.5142.6175.6-23.935.4000111.6Q180P168-Q180 WeakPolarHBondContact CD-O 3.46Å
169I87.1Confident83.7Confident148 Ų14899.7 Ų99.776%0.75957%0.57SS**  trans-65.3129.3173.4-58.3177.1000108.2E171I169-E171 PolarHBondContact O-N 2.85Å; I169-E171 VanDerWaalsContact O-N 3.1Å
170P85.4Confident83.4Confident23 Ų23102 Ų10215%0.14957%0.573CS.*  trans-74.3102.7-176.329.5-35.5000111.5K177 Y179P170-K177 HydrophobicContact CB-CB 4.38Å; P170-Y179 HydrophobicContact CB-CE1 4.4Å; P170-Y179 HydrophobicContact CG-CD1 4.25Å; P170-Y179 HydrophobicContact CG-CE1 3.81Å
171E74.6Confident83.3Confident183 Ų183105.6 Ų105.686%0.85559%0.589SS**  trans-59.3135.6170.3-64.7-178.1-171.600111I169I169-E171 PolarHBondContact O-N 2.85Å; I169-E171 VanDerWaalsContact O-N 3.1Å
172G62.3Low83.3Confident44 Ų44103.8 Ų103.845%0.45457%0.568SS.*  trans-166.739.1-161.700000119.1N174G172-N174 PolarHBondContact O-N 2.82Å
173L57.4Low83.3Confident169 Ų169102.7 Ų102.789%0.88554%0.544SS*.THydrogen-bonded Turntrans-67.3-23.8167-75.2169.3000113
174N60.9Low83.3Confident160 Ų160107.4 Ų107.486%0.85656%0.561SS**THydrogen-bonded Turntrans-11121.6-168.5-63.310.7000114.1G172 Q176G172-N174 PolarHBondContact O-N 2.82Å; N174-Q176 PolarHBondContact O-N 3.48Å
175G61.8Low83.3Confident72 Ų72105.7 Ų105.774%0.74255%0.549SS*.SBendtrans87-2.7162.300000118.8
176Q66.3Low83.2Confident175 Ų175107.1 Ų107.182%0.81856%0.562SS**  trans-115.189169.3-72.9-160.5-29.100111.8N174 K178N174-Q176 PolarHBondContact O-N 3.48Å; Q176-K178 PolarHBondContact O-N 3.41Å
177K78.9Confident83.1Confident101 Ų101106.9 Ų106.944%0.43957%0.571SS.*  trans-65.699.4168.7-70.6-166175.9-169.70109.4P170 Y179 T363P170-K177 HydrophobicContact CB-CB 4.38Å; K177-Y179 HydrophobicContact CB-CE2 3.8Å; K177-Y179 WeakPolarHBondContact CD-OH 3.22Å; K177-T363 PolarHBondContact NZ-O 3.42Å
178K83.2Confident83.1Confident148 Ų148104.2 Ų104.264%0.64356%0.561SS**  trans-90.9118173.6-174.5-166.9174.5-156.10109.8Q176 Q180Q176-K178 PolarHBondContact O-N 3.41Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.13Å
179Y87.6Confident83.4Confident146 Ų146107.1 Ų107.157%0.57358%0.581SS**  trans-91.5145.6173.4-60.6-94.1000110.4P170 K177P170-Y179 HydrophobicContact CB-CE1 4.4Å; P170-Y179 HydrophobicContact CG-CD1 4.25Å; P170-Y179 HydrophobicContact CG-CE1 3.81Å; K177-Y179 HydrophobicContact CB-CE2 3.8Å; K177-Y179 WeakPolarHBondContact CD-OH 3.22Å
180Q90.3Very high83.9Confident96 Ų96102.6 Ų102.645%0.44956%0.557SS.*  trans-146.7141.9179.6-173.5168-5600110P168 K178P168-Q180 WeakPolarHBondContact CD-O 3.46Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.13Å
181I94.4Very high84.4Confident110 Ų110105.5 Ų105.556%0.56457%0.569SS**  trans-119.6126.3170.8-55.5175.6000106.9L165 V167 L183L165-I181 HydrophobicContact CD2-CG2 4.24Å; L165-I181 HydrophobicContact CG-CG2 4.08Å; V167-I181 HydrophobicContact CG2-CG1 4.32Å; I181-L183 HydrophobicContact CG2-CD2 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.27Å
182H94.1Very high85.4Confident82 Ų82100.2 Ų100.238%0.3855%0.549SS..EExtended strand (participates in β ladder)trans-111.6126.8177.2176.5-144.4000109L165 E166L165-H182 WeakPolarHBondContact CA-O 3.15Å; E166-H182 HydrophobicContact CB-CB 4.21Å; E166-H182 PolarHBondContact N-O 3.03Å; E166-H182 PolarHBondContact O-N 2.92Å; E166-H182 IonicContact OE2-CE1 2.67Å; E166-H182 IonicContact OE2-CG 3.59Å; E166-H182 IonicContact OE2-ND1 2.67Å; E166-H182 PolarHBondContact OE2-ND1 2.92Å
183L95.9Very high86.9Confident53 Ų53102 Ų10228%0.27755%0.548SS..EExtended strand (participates in β ladder)trans-119.3120.3-176.2-62.5173.9000109.5I157 S164 L165 I181 I190I157-L183 HydrophobicContact CD1-CD1 4.02Å; I157-L183 HydrophobicContact CG1-CD1 4.39Å; I157-L183 HydrophobicContact CG2-CD1 3.97Å; S164-L183 WeakPolarHBondContact O-CA 3.34Å; L165-L183 HydrophobicContact CB-CD2 3.92Å; L165-L183 HydrophobicContact CD1-CD2 3.82Å; L165-L183 HydrophobicContact CG-CD2 3.66Å; I181-L183 HydrophobicContact CG2-CD2 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.27Å; L183-I190 HydrophobicContact CB-CD1 3.77Å; L183-I190 HydrophobicContact CD1-CG2 4.45Å
184K95.9Very high88.5Confident129 Ų12997.2 Ų97.256%0.56152%0.523SS*.EExtended strand (participates in β ladder)trans-133.6105.2-176.5-174178.1-179.4179.30111.4S164S164-K184 PolarHBondContact N-O 3.16Å; S164-K184 PolarHBondContact O-N 3.41Å
185S96.3Very high89.9Confident29 Ų2991 Ų9120%0.20349%0.491CS..  trans-97.1145.5173.11770000110.7T163 S187 G188T163-S185 WeakPolarHBondContact OG1-CB 3.43Å; T163-S185 PolarHBondContact OG1-OG 2.93Å; S185-S187 PolarHBondContact OG-N 3.19Å; S185-G188 VanDerWaalsContact CB-O 3.23Å; S185-G188 WeakPolarHBondContact CB-O 3.42Å; S185-G188 PolarHBondContact OG-N 2.97Å; S185-G188 PolarHBondContact OG-O 3.31Å
186V94.5Very high90.7Very high135 Ų13589.1 Ų89.182%0.81846%0.464SS*.SBendtrans-112.1-9.9172-63.10000113.1
187S94.4Very high90.6Very high95 Ų9588.9 Ų88.966%0.66446%0.46SS*.SBendtrans-109.5-5.3-171.7-170.10000114.4S185S185-S187 PolarHBondContact OG-N 3.19Å
188G94.3Very high89.5Confident31 Ų3188.9 Ų88.932%0.3246%0.461SS..SBendtrans165.4174.2-176.900000113.2S185S185-G188 VanDerWaalsContact CB-O 3.23Å; S185-G188 WeakPolarHBondContact CB-O 3.42Å; S185-G188 PolarHBondContact OG-N 2.97Å; S185-G188 PolarHBondContact OG-O 3.31Å
189P96.4Very high88Confident121 Ų12186.2 Ų86.279%0.78647%0.467SS*.  trans-66.5159.6178.530.6-36.2000112.1P160P160-P189 WeakPolarHBondContact CD-O 3.33Å
190I96.9Very high86.2Confident53 Ų5391 Ų9127%0.27248%0.484SS..  trans-109.2131.3172.6-56.1178.3000107.8I157 A159 T163 L183 V192I157-I190 HydrophobicContact CG2-CG2 3.98Å; A159-I190 HydrophobicContact CB-CG1 4.12Å; A159-I190 HydrophobicContact CB-CG2 4.08Å; T163-I190 HydrophobicContact CG2-CD1 3.66Å; T163-I190 HydrophobicContact CG2-CG1 4.41Å; L183-I190 HydrophobicContact CB-CD1 3.77Å; L183-I190 HydrophobicContact CD1-CG2 4.45Å; I190-V192 HydrophobicContact CG2-CG2 4.11Å
191E96.1Very high84.3Confident83 Ų8390.3 Ų90.339%0.38849%0.49SS..EExtended strand (participates in β ladder)trans-103.4134173.4174-178.4-144.300109R158 L193R158-E191 HydrophobicContact CB-CB 4.25Å; R158-E191 WeakPolarHBondContact CD-OE2 3.27Å; R158-E191 IonicContact CZ-OE2 3.14Å; R158-E191 PolarHBondContact N-O 3.01Å; R158-E191 IonicContact NE-OE2 2.86Å; R158-E191 IonicContact NH1-OE2 3.32Å; R158-E191 PolarHBondContact NH1-OE2 2.8Å; R158-E191 PolarHBondContact O-N 3.04Å; E191-L193 HydrophobicContact CG-CD2 4.09Å; E191-L193 HydrophobicContact CG-CG 4.23Å
192V95.3Very high82Confident73 Ų7388.5 Ų88.544%0.44249%0.487SS..EExtended strand (participates in β ladder)trans-130.8123.9178.1-175.30000108.6L155 A156 I157 I190L155-V192 HydrophobicContact CB-CG1 4.37Å; L155-V192 HydrophobicContact CD2-CG1 4.31Å; A156-V192 WeakPolarHBondContact O-CA 3.46Å; I157-V192 HydrophobicContact CG1-CG1 4.28Å; I157-V192 HydrophobicContact CG1-CG2 4.3Å; I157-V192 HydrophobicContact CG2-CG2 4.48Å; I190-V192 HydrophobicContact CG2-CG2 4.11Å
193L93.1Very high79.9Confident80 Ų8089.9 Ų89.942%0.41950%0.503SS..EExtended strand (participates in β ladder)trans-114.4123.9-177-55.9175.2000109.7L155 A156 E191 V195L155-L193 WeakPolarHBondContact CA-O 3.26Å; A156-L193 HydrophobicContact CB-CB 4.37Å; A156-L193 PolarHBondContact N-O 3.28Å; A156-L193 PolarHBondContact O-N 3Å; E191-L193 HydrophobicContact CG-CD2 4.09Å; E191-L193 HydrophobicContact CG-CG 4.23Å; L193-V195 PolarHBondContact O-N 3.2Å
194L92.4Very high78Confident69 Ų6992.4 Ų92.436%0.36152%0.523SS..EExtended strand (participates in β ladder)trans-76.3113.2167.117764.9000108.5T153 L155 K197T153-L194 HydrophobicContact CG2-CD1 3.93Å; L155-L194 HydrophobicContact CD2-CB 4.32Å; L155-L194 HydrophobicContact CD2-CD1 4Å; L194-K197 HydrophobicContact CD2-CB 4.39Å; L194-K197 HydrophobicContact CD2-CG 4.3Å
195V88.8Confident76.1Confident31 Ų3192.1 Ų92.119%0.18853%0.532CS..  trans-85-60-174.8-172.50000110.4I145 L154 A156 L193 K197I145-V195 HydrophobicContact CG2-CG1 4.07Å; L154-V195 HydrophobicContact CB-CB 4.01Å; L154-V195 HydrophobicContact CB-CG2 4.48Å; L154-V195 PolarHBondContact O-N 2.9Å; A156-V195 HydrophobicContact CB-CG2 3.81Å; L193-V195 PolarHBondContact O-N 3.2Å; V195-K197 PolarHBondContact O-N 3.33Å; V195-K197 VanDerWaalsContact O-N 3.16Å
196N80.3Confident74.3Confident32 Ų3295.5 Ų95.517%0.17156%0.561CS.*  trans-82.392.9174.5-172.613.9000110.2D152 E198D152-N196 PolarHBondContact O-ND2 3.07Å; N196-E198 WeakPolarHBondContact ND2-CG 3.32Å; N196-E198 PolarHBondContact ND2-OE1 3.19Å; N196-E198 PolarHBondContact O-N 2.92Å; N196-E198 WeakPolarHBondContact OD1-CG 3.21Å
197K63.9Low72.7Confident170 Ų17091.7 Ų91.774%0.73954%0.538SS*.  trans-90.972.7174.7-169.6-162.8173.7-176.30110.6L194 V195 A199L194-K197 HydrophobicContact CD2-CB 4.39Å; L194-K197 HydrophobicContact CD2-CG 4.3Å; V195-K197 PolarHBondContact O-N 3.33Å; V195-K197 VanDerWaalsContact O-N 3.16Å; K197-A199 PolarHBondContact O-N 3.19Å
198E56.2Low70.8Confident101 Ų10191.8 Ų91.847%0.47254%0.536SS..  trans-62.5128.7172.9-61.2-154.9-170.600110.8N196 W200 S201N196-E198 WeakPolarHBondContact ND2-CG 3.32Å; N196-E198 PolarHBondContact ND2-OE1 3.19Å; N196-E198 PolarHBondContact O-N 2.92Å; N196-E198 WeakPolarHBondContact OD1-CG 3.21Å; E198-W200 PolarHBondContact O-N 2.86Å; E198-S201 PolarHBondContact O-OG 3.16Å
199A50.3Low68.6Low91 Ų9196.6 Ų96.675%0.75256%0.559SS**THydrogen-bonded Turntrans-73.83.1-164.700000114.9K197K197-A199 PolarHBondContact O-N 3.19Å
200W50.1Low66.1Low246 Ų24696.3 Ų96.393%0.93256%0.557SS**THydrogen-bonded Turntrans-120.1-10.5-170.6-58.1-25.9000114.5E198E198-W200 PolarHBondContact O-N 2.86Å
201S50.2Low63.9Low83 Ų8397.6 Ų97.658%0.5857%0.569SS**SBendtrans-79.5145.3169.856.40000111.3E198E198-S201 PolarHBondContact O-OG 3.16Å
202S47.4Very low61.9Low72 Ų7296.7 Ų96.750%0.50357%0.571SS.*PPolyproline II helixtrans-56.4144.2176.7530000112
203P49.9Very low59.9Low110 Ų11098.2 Ų98.271%0.71457%0.573SS**PPolyproline II helixtrans-58.3139.5-176.424.6-34.7000111.7V205P203-V205 PolarHBondContact O-N 2.94Å
204P54.8Low58.2Low106 Ų106101.8 Ų101.869%0.68859%0.592SS**PPolyproline II helixtrans-63.9123.6-176.525.3-34000110.9A206P204-A206 PolarHBondContact O-N 2.96Å
205V56.8Low56.3Low124 Ų124102.8 Ų102.875%0.75260%0.598SS**  trans-81.687.5-177.3-1730000109.7P203 V207P203-V205 PolarHBondContact O-N 2.94Å; V205-V207 HydrophobicContact CG1-CG2 3.79Å; V205-V207 PolarHBondContact O-N 3.31Å; V205-V207 VanDerWaalsContact O-N 3.14Å
206A58.2Low54.5Low99 Ų99104.3 Ų104.382%0.81860%0.604SS**  trans-74.696.2172.100000110.5P204P204-A206 PolarHBondContact O-N 2.96Å
207V60.9Low52.8Low55 Ų55108.7 Ų108.733%0.33362%0.624SS.*PPolyproline II helixtrans-91.8128.2172.3-164.90000109.2V205 P211 L215V205-V207 HydrophobicContact CG1-CG2 3.79Å; V205-V207 PolarHBondContact O-N 3.31Å; V205-V207 VanDerWaalsContact O-N 3.14Å; V207-P211 HydrophobicContact CG1-CB 3.97Å; V207-P211 HydrophobicContact CG1-CG 4.35Å; V207-L215 HydrophobicContact CG1-CD1 4.04Å; V207-L215 HydrophobicContact CG2-CD1 4.2Å
208P53.3Low51.5Low97 Ų97106.8 Ų106.863%0.6362%0.622SS**PPolyproline II helixtrans-58141.1167.6-22.734.1000110.8P210 P211P208-P210 CarbonylContact O-C 3.26Å; P208-P211 WeakPolarHBondContact O-CA 3.28Å
209V49.6Very low50.5Low133 Ų133106.2 Ų106.281%0.80663%0.627SS**SBendtrans-102.3128.5173.2179.90000108.5
210P42.9Very low49.9Very low114 Ų114106.9 Ų106.974%0.7462%0.624SS**SBendcis-71.7144-0.230.2-35.3000113.4P208P208-P210 CarbonylContact O-C 3.26Å
211P51.4Low49.2Very low80 Ų8099.5 Ų99.552%0.51962%0.615SS.*PPolyproline II helixtrans-60.5146.7178.4-26.236.3000113.8V207 P208V207-P211 HydrophobicContact CG1-CB 3.97Å; V207-P211 HydrophobicContact CG1-CG 4.35Å; P208-P211 WeakPolarHBondContact O-CA 3.28Å
212P53.6Low48.5Very low65 Ų65102.3 Ų102.342%0.42263%0.628SS.*PPolyproline II helixtrans-72.4140.8175.928.4-32.1000112.3D214 L215P212-D214 PolarHBondContact O-N 3.25Å; P212-D214 VanDerWaalsContact O-N 3.16Å; P212-L215 HydrophobicContact CG-CB 4.3Å; P212-L215 HydrophobicContact CG-CD1 4.45Å; P212-L215 PolarHBondContact O-N 3.32Å; P212-L215 VanDerWaalsContact O-N 3.15Å
213E54.1Low47.8Very low105 Ų105104.3 Ų104.349%0.49164%0.642SS.*THydrogen-bonded Turntrans-63.1-22.7-172.1-57.7179107.100113.5T278 S280 K281E213-T278 VanDerWaalsContact O-CG2 3.32Å; E213-T278 WeakPolarHBondContact O-CG2 3.4Å; E213-S280 WeakPolarHBondContact OE1-CB 3.29Å; E213-S280 PolarHBondContact OE1-OG 2.86Å; E213-K281 IonicContact OE1-NZ 2.67Å; E213-K281 PolarHBondContact OE1-NZ 3.37Å; E213-K281 IonicContact OE2-NZ 3.82Å; E213-K281 PolarHBondContact OE2-NZ 3.02Å
214D56.4Low47.1Very low155 Ų155105.1 Ų105.183%0.82965%0.645SS**THydrogen-bonded Turntrans-72.7-22.5176.5-79.1-43.9000114.8P212 L216P212-D214 PolarHBondContact O-N 3.25Å; P212-D214 VanDerWaalsContact O-N 3.16Å; D214-L216 PolarHBondContact O-N 2.67Å
215L52.4Low46.2Very low90 Ų90105.5 Ų105.547%0.47165%0.648SS.*SBendtrans-77.228-164.7-134.3-172.9000113.4V207 P212 P276V207-L215 HydrophobicContact CG1-CD1 4.04Å; V207-L215 HydrophobicContact CG2-CD1 4.2Å; P212-L215 HydrophobicContact CG-CB 4.3Å; P212-L215 HydrophobicContact CG-CD1 4.45Å; P212-L215 PolarHBondContact O-N 3.32Å; P212-L215 VanDerWaalsContact O-N 3.15Å; L215-P276 WeakPolarHBondContact O-CB 3.12Å; L215-P276 WeakPolarHBondContact O-CG 3.16Å
216L50.7Low45.4Very low62 Ų62105 Ų10533%0.32565%0.647SS.*SBendtrans-146.1-57.8-154.4-68.4174.6000111D214 N218 P276 G277 T278D214-L216 PolarHBondContact O-N 2.67Å; L216-N218 PolarHBondContact O-N 3.44Å; L216-P276 HydrophobicContact CD2-CB 4.29Å; L216-P276 CarbonylContact O-C 3.51Å; L216-P276 VanDerWaalsContact O-CD 3.27Å; L216-P276 WeakPolarHBondContact O-CD 3.47Å; L216-P276 WeakPolarHBondContact O-CG 3.41Å; L216-G277 VanDerWaalsContact C-C 3.41Å; L216-G277 CarbonylContact C-O 3.44Å; L216-G277 VanDerWaalsContact CA-N 3.27Å; L216-G277 CarbonylContact O-C 3.58Å; L216-G277 VanDerWaalsContact O-C 3.26Å; L216-G277 WeakPolarHBondContact O-CA 3.25Å; L216-G277 PolarHBondContact O-N 3.48Å; L216-T278 HydrophobicContact CB-CG2 3.63Å; L216-T278 WeakPolarHBondContact CB-OG1 3.25Å; L216-T278 HydrophobicContact CD1-CG2 3.5Å; L216-T278 VanDerWaalsContact CD1-CG2 3.5Å; L216-T278 HydrophobicContact CG-CG2 4.18Å
217Q45.7Very low44.3Very low124 Ų124106.3 Ų106.358%0.57965%0.647SS**SBendtrans-67.68.8-159.3-140.4-172.871.600119T278 D279Q217-T278 VanDerWaalsContact CA-OG1 3.28Å; Q217-T278 WeakPolarHBondContact CA-OG1 3.35Å; Q217-T278 VanDerWaalsContact CB-OG1 3.26Å; Q217-T278 WeakPolarHBondContact CB-OG1 3.29Å; Q217-T278 PolarHBondContact N-OG1 3.21Å; Q217-D279 PolarHBondContact NE2-OD2 3.01Å
218N36.2Very low43.2Very low130 Ų130111.6 Ų111.670%0.69567%0.673SS**  trans-158.2107.9-178.6-97-67.8000114.6L216 P276L216-N218 PolarHBondContact O-N 3.44Å; N218-P276 WeakPolarHBondContact O-CD 3.21Å
219P35.7Very low42.5Very low89 Ų89112.7 Ų112.758%0.57868%0.68SS**PPolyproline II helixtrans-73.4125.6167.129-33000111.5A221 G275P219-A221 PolarHBondContact O-N 2.95Å; P219-G275 WeakPolarHBondContact CA-O 3.2Å
220P38Very low41.7Very low106 Ų106116 Ų11669%0.68868%0.684SS**PPolyproline II helixtrans-73.5128.5-176.628.9-33.6000111.9G275P220-G275 WeakPolarHBondContact CD-O 3.14Å
221A34.6Very low41.2Very low91 Ų91116.8 Ų116.875%0.75269%0.688SS**PPolyproline II helixtrans-68.8133.3-177.500000113.1P219 S223P219-A221 PolarHBondContact O-N 2.95Å; A221-S223 PolarHBondContact O-N 3.08Å
222V35.7Very low40Very low142 Ų142117.3 Ų117.386%0.86170%0.699SS**PPolyproline II helixtrans-60.3123.7176.8178.50000110.6
223S32.9Very low38.9Very low114 Ų114121.5 Ų121.580%0.79772%0.717SS**  trans-102.7104.7-179.8-67.20000111.4A221A221-S223 PolarHBondContact O-N 3.08Å
224T34.5Very low37.7Very low127 Ų127121.5 Ų121.578%0.77974%0.736SS**PPolyproline II helixtrans-69.4134-179.7-30.20000112.3
225P36.8Very low36.4Very low113 Ų113122.5 Ų122.573%0.73474%0.735SS**PPolyproline II helixtrans-77148.8175.630.9-35000112.9
226P38.8Very low35.2Very low114 Ų114124 Ų12474%0.7475%0.753SS**PPolyproline II helixtrans-84.5153.517934-35.5000113.5
227P36.5Very low34.2Very low127 Ų127130 Ų13083%0.82578%0.779SS**PPolyproline II helixtrans-83147.7-177.633-35.7000114.1
228L37Very low33.4Very low166 Ų166128.5 Ų128.587%0.86978%0.783SS**PPolyproline II helixtrans-83.3148.4172.4-82.690000113.2
229P38.2Very low33Very low119 Ų119130.9 Ų130.977%0.77379%0.79SS**PPolyproline II helixtrans-84154.3176.834.3-35.5000113.9
230K33.4Very low32.5Very low204 Ų204135.6 Ų135.689%0.88780%0.804SS**PPolyproline II helixtrans-89.3144.8173.2-62.6172.9178.9173.90112.1
231P32.6Very low31.9Very low130 Ų130134.5 Ų134.584%0.84480%0.804SS**PPolyproline II helixtrans-103.316614611.58.6000111.1
232A27Very low31.5Very low90 Ų90136.4 Ų136.474%0.74481%0.812SS**  trans-139.2148.4-178.100000113.7
233L28.7Very low31.1Very low153 Ų153141.1 Ų141.180%0.80181%0.814SS**  trans50.1112.7152.9-78.5160.4000120.3Q235L233-Q235 HydrophobicContact CD2-CG 4.3Å
234A28.7Very low31.6Very low106 Ų106140.8 Ų140.888%0.87681%0.809SS**  trans-141.1148134.200000108.9
235Q29.2Very low31.1Very low175 Ų175142.4 Ų142.482%0.81881%0.813SS**  trans-124.8145.3-176.9-66.3176.7-39.700111.3L233L233-Q235 HydrophobicContact CD2-CG 4.3Å
236S28.9Very low30.7Very low122 Ų122142.1 Ų142.185%0.85381%0.814SS**  trans-157.8158.6158.249.20000111.6
237Q28.9Very low31Very low187 Ų187141.8 Ų141.887%0.87481%0.812SS**  trans-98.6178.8-173.4-58.3148.9-11.700109.4
238S27.9Very low30.5Very low93 Ų93143.6 Ų143.665%0.6581%0.809SS**  cis-167.5160.113-0.60000111.7
239Q28.9Very low30Very low180 Ų180142.5 Ų142.584%0.84180%0.803SS**  trans47.4108.8144.9-65177.7-59.500123.1
240E24.1Very low29.3Very low189 Ų189142.9 Ų142.988%0.88380%0.804SS**  57.3145.6112-144.7171.4129.100124.8
241A26.5Very low29.6Very low83 Ų83139 Ų13969%0.68680%0.799SS**  trans80.8104.9155.400000121.5
242S27Very low29.5Very low130 Ų130138.6 Ų138.691%0.90979%0.794SS**  172.7159.4113.3-77.80000115.2
243R25.8Very low30.2Very low241 Ų241139.7 Ų139.791%0.90979%0.794SS**  trans-112-178.6177.8-94.1-178172.9-173.5-1.6109.9
244P44.1Very low30.6Very low108 Ų108138.3 Ų138.370%0.70179%0.792SS**  cis-135.8178.9-38.638.7-23.2000113
245N24.9Very low31.3Very low160 Ų160139.1 Ų139.186%0.85679%0.788SS**  trans-170.4165133-111.1-10.8000115.1
246S26.6Very low31.1Very low107 Ų107134 Ų13475%0.74878%0.783SS**  trans-163.3-176.1178.5-125.80000108.4
247P45Very low31.2Very low107 Ų107134 Ų13470%0.69578%0.783SS**  cis-94.5-147.52.537.2-24.7000110.9
248Q26.7Very low31.2Very low165 Ų165130.1 Ų130.177%0.77178%0.782SS**  cis-157.2166.511.7-138.3171.1-21.600106.6
249L26.2Very low31Very low143 Ų143134 Ų13475%0.74979%0.79SS**  cis-142.6-17728.3-99165.5000112.7
250T24.1Very low31Very low127 Ų127130.4 Ų130.478%0.77978%0.78SS**  trans-140175.5177.329.10000109.2
251P40.3Very low31.1Very low122 Ų122131 Ų13179%0.79278%0.783SS**  cis-136.9166.51441.2-23000118.8
252T29.7Very low31.1Very low122 Ų122130.3 Ų130.375%0.74878%0.784SS**  trans-100.5163.5156.426.40000111.5
253P42.4Very low31.1Very low114 Ų114133.3 Ų133.374%0.7479%0.786SS**  -138.9128.5119.320.7-0.7000112.8
254V35.9Very low31.3Very low123 Ų123126.5 Ų126.575%0.74578%0.781SS**  72158.663.3-56.20000115.5
255P44.7Very low30.5Very low124 Ų124124.6 Ų124.681%0.80578%0.782SS**  cis-136.9179.6-12.226.9-3.3000116.6
256G25.1Very low31.1Very low68 Ų68123.1 Ų123.170%0.70178%0.78SS**  trans144.899155.400000113.4
257S29.7Very low31.1Very low122 Ų122122.8 Ų122.885%0.85378%0.784SS**  78.9129.957.9-60.20000113.6
258A29.2Very low30.4Very low104 Ų104121.9 Ų121.986%0.8679%0.786SS**  cis-160.9-177-3.800000112.7
259E24.4Very low30.3Very low174 Ų174122.5 Ų122.581%0.81379%0.789SS**  trans-124.9167.5-171.8-139.8-171.412600109.3
260V28.3Very low30.3Very low106 Ų106122.3 Ų122.364%0.64279%0.787SS**  cis-155.3157.316.3-1570000108.9
261Q27.7Very low30.3Very low200 Ų200122.4 Ų122.494%0.93579%0.787SS**  trans160.1141.2138.5-88.2158.916.200112.9
262G26.2Very low29.6Very low69 Ų69122.2 Ų122.271%0.71178%0.784SS**  cis167.6156.3-14.400000116
263M26.8Very low29.4Very low194 Ų194120.9 Ų120.996%0.95678%0.78SS**  trans83.3145.5157.3-152.755.9167.700121.1
264A28.5Very low28.6Very low97 Ų97118.9 Ų118.980%0.80278%0.78SS**  trans75.2131.4168.400000120.3
265G27.3Very low28.1Very low69 Ų69115.3 Ų115.371%0.71177%0.768SS**  trans-137-153.4159.500000108.1
266P38Very low27.9Very low128 Ų128112 Ų11283%0.83175%0.746SS**  cis-133.3-171.81.943.5-27.4000114.5
267A27.2Very low28.2Very low100 Ų100111 Ų11183%0.82674%0.735SS**  trans69.2147.1164.300000117.5
268A30.1Very low28.6Very low88 Ų88107.7 Ų107.773%0.72771%0.71SS**  cis-152.6133.2-15.400000108.4
269E23.8Very low28.7Very low178 Ų178108.2 Ų108.283%0.83270%0.699SS**  62.285.199.8-150.3167.8165.100114
270I27.1Very low29.4Very low140 Ų140102.6 Ų102.672%0.71868%0.679SS**  96.7137.777.9-77.7171.5000113.8
271T24.8Very low29.9Very low128 Ų128105.3 Ų105.379%0.78568%0.682SS**  trans66.2160.4162.153.50000121.9
272V24.7Very low30.2Very low119 Ų119102.6 Ų102.672%0.72167%0.674SS**  cis-167.7160.1-42.7940000111.1
273S26Very low30.6Very low94 Ų94104 Ų10466%0.65767%0.673SS**  trans16.7140.6161-50.70000124
274G24.7Very low30.8Very low72 Ų7298.5 Ų98.574%0.74267%0.666SS**  trans157.2116.5147.100000117
275G26.8Very low30.9Very low48 Ų48102.1 Ų102.150%0.49567%0.666SS.*  trans-95.3-157.2162.200000111.8P219 P220P219-G275 WeakPolarHBondContact CA-O 3.2Å; P220-G275 WeakPolarHBondContact CD-O 3.14Å
276P40.6Very low31Very low55 Ų55105.1 Ų105.136%0.35767%0.665SS.*  cis-144.6-150.313.337.4-11.5000117.4L215 L216 N218L215-P276 WeakPolarHBondContact O-CB 3.12Å; L215-P276 WeakPolarHBondContact O-CG 3.16Å; L216-P276 HydrophobicContact CD2-CB 4.29Å; L216-P276 CarbonylContact O-C 3.51Å; L216-P276 VanDerWaalsContact O-CD 3.27Å; L216-P276 WeakPolarHBondContact O-CD 3.47Å; L216-P276 WeakPolarHBondContact O-CG 3.41Å; N218-P276 WeakPolarHBondContact O-CD 3.21Å
277G30.3Very low30.5Very low45 Ų45104 Ų10446%0.46466%0.66SS.*  trans-73.4-137.1-168.300000123.3L216L216-G277 VanDerWaalsContact C-C 3.41Å; L216-G277 CarbonylContact C-O 3.44Å; L216-G277 VanDerWaalsContact CA-N 3.27Å; L216-G277 CarbonylContact O-C 3.58Å; L216-G277 VanDerWaalsContact O-C 3.26Å; L216-G277 WeakPolarHBondContact O-CA 3.25Å; L216-G277 PolarHBondContact O-N 3.48Å
278T38.3Very low30.6Very low53 Ų53105.1 Ų105.133%0.32566%0.662SS.*  cis-117.3-133.222.4-32.10000115.6E213 L216 Q217E213-T278 VanDerWaalsContact O-CG2 3.32Å; E213-T278 WeakPolarHBondContact O-CG2 3.4Å; L216-T278 HydrophobicContact CB-CG2 3.63Å; L216-T278 WeakPolarHBondContact CB-OG1 3.25Å; L216-T278 HydrophobicContact CD1-CG2 3.5Å; L216-T278 VanDerWaalsContact CD1-CG2 3.5Å; L216-T278 HydrophobicContact CG-CG2 4.18Å; Q217-T278 VanDerWaalsContact CA-OG1 3.28Å; Q217-T278 WeakPolarHBondContact CA-OG1 3.35Å; Q217-T278 VanDerWaalsContact CB-OG1 3.26Å; Q217-T278 WeakPolarHBondContact CB-OG1 3.29Å; Q217-T278 PolarHBondContact N-OG1 3.21Å
279D32.1Very low30.2Very low116 Ų116109 Ų10962%0.6267%0.669SS**  cis-153.2-175.212.6-139.4-73.2000115.1Q217Q217-D279 PolarHBondContact NE2-OD2 3.01Å
280S37.5Very low31.4Very low56 Ų56105.8 Ų105.839%0.39266%0.664SS.*  trans-133.4170.2-153.9-54.40000119.5E213E213-S280 WeakPolarHBondContact OE1-CB 3.29Å; E213-S280 PolarHBondContact OE1-OG 2.86Å
281K38.9Very low31.3Very low162 Ų162107.7 Ų107.770%0.70468%0.675SS**  trans71.8162.1153.8-75-175.8-177800119.9E213E213-K281 IonicContact OE1-NZ 2.67Å; E213-K281 PolarHBondContact OE1-NZ 3.37Å; E213-K281 IonicContact OE2-NZ 3.82Å; E213-K281 PolarHBondContact OE2-NZ 3.02Å
282D34.7Very low31.3Very low144 Ų144104.5 Ų104.577%0.7767%0.667SS**  cis-169.5-172.1-24.5-165.636.9000107.4
283S35.5Very low32.1Very low99 Ų99104.5 Ų104.569%0.69267%0.67SS**  cis-162.9161.412.1-49.40000113.2
284G29.5Very low32.3Very low78 Ų78107.1 Ų107.180%0.80468%0.682SS**  trans89.1165.1148.600000121.5
285E31.3Very low32.4Very low172 Ų172108 Ų10880%0.80468%0.682SS**  cis-169.5164.5-17.1-136.6-162.3139.700115.1
286L29.3Very low32.5Very low133 Ų133114.3 Ų114.370%0.69670%0.704SS**  trans73.4108.9153.2-63.2172.6000127.7
287S27.6Very low31.9Very low103 Ų103118.5 Ų118.572%0.7272%0.723SS**  52.6127116.5-56.20000127.1
288S28.3Very low32Very low125 Ų125122.4 Ų122.487%0.87474%0.738SS**  174.1173.4126.147.20000115.6
289L23.4Very low31.6Very low169 Ų169131.3 Ų131.389%0.88577%0.766SS**  trans-148.7177.5-172.3-77175.3000109.9
290P47.2Very low32Very low110 Ų110130.9 Ų130.971%0.71477%0.769SS**  cis-130.6179.2-42.539.4-24.9000112.4
291L26.5Very low31.4Very low181 Ų181136.7 Ų136.795%0.94880%0.795SS**  trans-177.4160145.5-104.6165000112.5
292G23.7Very low30.9Very low61 Ų61137.5 Ų137.563%0.62980%0.801SS**  trans-156.9-163.617100000109.6
293P42.8Very low30.5Very low118 Ų118136.3 Ų136.377%0.76680%0.804SS**  cis-132.6174.5-1.442.6-28.2000114.3
294T29.1Very low30.3Very low150 Ų150136.7 Ų136.792%0.9281%0.807SS**  -171.2160.5127.314.70000111.4
295A26.6Very low30.2Very low89 Ų89137.5 Ų137.574%0.73681%0.806SS**  trans-85.3155.7-164.500000114.9
296L29.3Very low30Very low182 Ų182136.9 Ų136.995%0.95381%0.807SS**  -156.3166.4101.6-98.1169.7000110.9
297D27.4Very low30.1Very low142 Ų142138.1 Ų138.176%0.75981%0.814SS**  trans-113.6176.1-156.9-162.2-2.2000113.3
298T32.5Very low29.9Very low128 Ų128140.2 Ų140.279%0.78582%0.817SS**  trans118.282.8162.263.30000118.5
299R29.9Very low30Very low240 Ų240138.3 Ų138.391%0.90680%0.804SS**  trans-164.1168147.1-79.7-149.3175.9179.4-1109.8
300P40.9Very low30.2Very low107 Ų107135.5 Ų135.570%0.69580%0.798SS**  cis-122.4-172.7-48.638.8-24.8000110.2
301L24.9Very low29.4Very low178 Ų178135.4 Ų135.493%0.93280%0.8SS**  trans-128122.9166.6-76176.7000112.6
302Q29Very low29.5Very low179 Ų179132 Ų13284%0.83679%0.792SS**  trans-115.7132.7161-64176.9-88.200108.5
303S26.3Very low29.8Very low118 Ų118134.5 Ų134.583%0.82580%0.799SS**  trans179.7141.7151.6-82.50000107.9
304S30.9Very low29.2Very low108 Ų108133.8 Ų133.876%0.75580%0.797SS**  cis112115.417.9-74.70000111.3
305A28.1Very low29.3Very low95 Ų95132 Ų13279%0.78579%0.79SS**  trans63.5165.9159.600000117.7
306L26.9Very low29.6Very low158 Ų158132.3 Ų132.383%0.82779%0.787SS**  cis-153172.2-33.7-108172.5000108.6
307L30.8Very low29.7Very low159 Ų159128.9 Ų128.983%0.83278%0.779SS**  trans-44142.3178.9-51.6165.4000116
308D24.2Very low30Very low148 Ų148127.3 Ų127.379%0.79178%0.778SS**  -160142.1123.9-153.822.7000116.9
309S29.5Very low30.1Very low85 Ų85126 Ų12659%0.59478%0.775SS**  trans12.6127.9149.5-62.50000126.7
310S28.5Very low30.3Very low110 Ų110120.1 Ų120.177%0.76977%0.77SS**  79.5153116.8-60.10000124.3
311S29.7Very low30Very low107 Ų107120 Ų12075%0.74877%0.772SS**  trans95.782.2154.2-46.40000120.7
312S29Very low30.4Very low111 Ų111116.4 Ų116.478%0.77676%0.762SS**  trans18.1133.5133.559.80000122.2
313S30.1Very low30.7Very low113 Ų113113.1 Ų113.179%0.7976%0.759SS**  -179.3128.1107.642.20000116.8
314S30.4Very low31.1Very low102 Ų102112.4 Ų112.471%0.71375%0.754SS**  trans42.1144.7143.659.60000125.5
315S31.3Very low31.3Very low113 Ų113112 Ų11279%0.7975%0.751SS**  trans76.7143.2151.171.20000118.6
316S31.9Very low31.6Very low96 Ų96115.3 Ų115.367%0.67176%0.755SS**  cis-169.1158.7-11.846.80000112.1
317S32.4Very low31.9Very low110 Ų110112.8 Ų112.877%0.76975%0.751SS**  trans62155.8165.8370000117.1
318S33.7Very low32Very low108 Ų108111.1 Ų111.176%0.75575%0.753SS**  cis-171.2164.1-11.645.70000107.4
319S33.4Very low32.3Very low101 Ų101108.9 Ų108.971%0.70675%0.748SS**  cis-173167.1-20.751.60000109
320S34.2Very low32.4Very low116 Ų116112 Ų11281%0.81176%0.758SS**  trans68.7153.5176.975.70000115.2
321S34.2Very low32.5Very low106 Ų106111.8 Ų111.874%0.74176%0.756SS**  cis-171157.5-12.1380000108.8
322S34.9Very low32.5Very low101 Ų101109.9 Ų109.971%0.70675%0.753SS**  cis-173.2177.5-13.255.50000109.3
323S34.9Very low33Very low110 Ų110110.6 Ų110.677%0.76976%0.755SS**  trans69155174.581.60000116.6
324S35Very low33.3Very low104 Ų104112.4 Ų112.473%0.72776%0.756SS**  cis-159.2142.5-26.9-100.30000110.5
325S33.4Very low33.8Very low98 Ų98113.9 Ų113.969%0.68576%0.763SS**  trans13.3122.3156.658.30000120.3
326N36.2Very low33.7Very low165 Ų165113.4 Ų113.488%0.88276%0.76SS**  -162.5158.298-100.1-19.3000113.7
327S32.4Very low33.6Very low106 Ų106115.3 Ų115.374%0.74177%0.768SS**  trans-105.1150.3-178.2530000112.2
328S33.1Very low33.2Very low124 Ų124115.8 Ų115.887%0.86777%0.771SS**  -176.2160.9119.534.50000110.6
329S29.6Very low33Very low100 Ų100120.6 Ų120.670%0.69978%0.779SS**  trans-130.3156.6-175.649.60000110
330L32Very low32.9Very low152 Ų152124 Ų12480%0.79678%0.783SS**  157.6137.4125.5-85.6151.3000113.7
331S30.8Very low33Very low104 Ų104122.9 Ų122.973%0.72777%0.774SS**  trans61.8124.4140.3-56.10000122.4
332G28.8Very low32.6Very low67 Ų67125.8 Ų125.869%0.69178%0.779SS**  trans-76.1-175.9143.200000111.8
333P40Very low32.3Very low126 Ų126130.1 Ų130.182%0.81879%0.785SS**  -147.4174.677.940.4-23.9000116.1
334N36.8Very low32.1Very low151 Ų151129.3 Ų129.381%0.80779%0.786SS**  trans-78162.7169.1-58.6-2.8000111.4
335P40.5Very low31.7Very low133 Ų133131.7 Ų131.786%0.86479%0.79SS**  -143.5-170.7104.138.7-23.3000114.5
336S29.2Very low32.2Very low104 Ų104132.2 Ų132.273%0.72779%0.791SS**  trans-108.6150.2-153.8-44.90000117.6
337T31Very low32.1Very low136 Ų136131.6 Ų131.683%0.83479%0.794SS**  trans45.5124.7139.156.80000122.6
338S22.9Very low32.2Very low120 Ų120129.9 Ų129.984%0.83979%0.793SS**  trans-160.8152.6134.548.70000112.4
339F29.5Very low32.4Very low209 Ų209131 Ų13192%0.91779%0.794SS**  trans-108.5175.4164.1-93.6-103.4000107.2
340E31.3Very low33.1Very low171 Ų171134 Ų13480%0.79980%0.801SS**  cis-156.6-145.734.5-152.7-155.9-17600112.2
341P36.2Very low33.6Very low94 Ų94135.7 Ų135.761%0.6181%0.805SS**  -124.9173.9-125.643.2-25.1000117
342I27Very low34.2Very low167 Ų167137.1 Ų137.186%0.85680%0.804SS**  trans-136.7106.1156.5-60.7-175.7000111.9
343K27.1Very low35.6Very low191 Ų191137.4 Ų137.483%0.8379%0.794SS**  trans47.5123.9138-159.8173.3-176.5-174.90121.2
344A31.8Very low36.2Very low94 Ų94139.7 Ų139.778%0.77779%0.791SS**  trans-91.4164.6163.200000112.9
345D25.4Very low36.9Very low153 Ų153138.4 Ų138.482%0.81878%0.78SS**  trans-144.8133.2163.2-15627.2000108.7
346P44.1Very low37.5Very low110 Ų110134.5 Ų134.571%0.71475%0.751SS**  trans-105.8136.5-166.937-31.2000114
347T33.9Very low38.6Very low152 Ų152133.6 Ų133.693%0.93375%0.745SS**  trans-155.2133.1162-53.20000110.4
348G34.9Very low39.7Very low70 Ų70134.1 Ų134.172%0.72274%0.738SS**  trans99.337.5161.500000118.4
349V37.8Very low41.1Very low147 Ų147131.3 Ų131.389%0.89171%0.713SS**PPolyproline II helixtrans-80.3125.5153.3179.60000107.4
350L43.2Very low41.9Very low162 Ų162129.8 Ų129.885%0.84871%0.706SS**PPolyproline II helixtrans-74.3129.9175.3-66.1171.3000109.5
351E42.4Very low42.8Very low188 Ų188125.5 Ų125.588%0.87969%0.689SS**PPolyproline II helixtrans-73.1128.9178-167.8170.3-169.400109.9
352L43.8Very low43.1Very low134 Ų134127 Ų12770%0.70270%0.698SS**PPolyproline II helixtrans-74.9133-179-133.482.5000110L356L352-L356 HydrophobicContact CD2-CB 4.46Å; L352-L356 HydrophobicContact CD2-CD1 4.05Å; L352-L356 HydrophobicContact CG-CD1 4.29Å
353P58.3Low43.9Very low74 Ų74121.2 Ų121.248%0.48167%0.671SS.*PPolyproline II helixtrans-60.9142.2174.4-23.534.2000112.5E355 L356P353-E355 WeakPolarHBondContact CB-OE2 3.36Å; P353-E355 PolarHBondContact O-N 3.17Å; P353-L356 PolarHBondContact O-N 3.34Å
354K52.3Low45.4Very low174 Ų174121.9 Ų121.976%0.75767%0.668SS**G310 helixtrans-68.1-19.2-175.2-84.4178.6173.7173.10113.9L356 S357K354-L356 PolarHBondContact O-N 3.08Å; K354-S357 PolarHBondContact O-N 3.36Å; K354-S357 PolarHBondContact O-OG 3.38Å
355E52.4Low46.3Very low123 Ų123126.1 Ų126.158%0.57567%0.672SS**G310 helixtrans-61.5-31.1177.5-60.781.2-162.700112.1P353 S357 E358P353-E355 WeakPolarHBondContact CB-OE2 3.36Å; P353-E355 PolarHBondContact O-N 3.17Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 2.88Å; E355-E358 PolarHBondContact O-N 3.04Å
356L52Low47.6Very low51 Ų51125 Ų12527%0.26768%0.675SS.*G310 helixtrans-71.6-21.5-179.2-67.2179.4000113.9L352 P353 K354 I359 L375L352-L356 HydrophobicContact CD2-CB 4.46Å; L352-L356 HydrophobicContact CD2-CD1 4.05Å; L352-L356 HydrophobicContact CG-CD1 4.29Å; P353-L356 PolarHBondContact O-N 3.34Å; K354-L356 PolarHBondContact O-N 3.08Å; L356-I359 HydrophobicContact CD2-CD1 3.75Å; L356-L375 HydrophobicContact CD2-CD1 4.31Å
357S53.7Low48Very low85 Ų85124.4 Ų124.459%0.59466%0.664SS**G310 helixtrans-76.3-21.4176.927.10000114.1K354 E355K354-S357 PolarHBondContact O-N 3.36Å; K354-S357 PolarHBondContact O-OG 3.38Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 2.88Å
358E53.3Low49.3Very low148 Ų148120.3 Ų120.369%0.69264%0.641SS**G310 helixtrans-83.1-13.6-178.1-57-163.1156.400113.1E355 F360E355-E358 PolarHBondContact O-N 3.04Å; E358-F360 PolarHBondContact O-N 3.49Å
359I52.2Low50.4Low61 Ų61121.2 Ų121.231%0.31364%0.637SS.*G310 helixtrans-72.9-25.3-177.3-62.2171000112.9L356 L375L356-I359 HydrophobicContact CD2-CD1 3.75Å; I359-L375 HydrophobicContact CD1-CD1 4.06Å; I359-L375 HydrophobicContact CD1-CD2 3.52Å; I359-L375 HydrophobicContact CD1-CG 4.46Å; I359-L375 HydrophobicContact CG1-CD2 4.37Å
360F47.2Very low51.2Low177 Ų177121.7 Ų121.778%0.77663%0.629SS**G310 helixtrans-105.111.8-170.6-67.8-83000114.3E358 P362E358-F360 PolarHBondContact O-N 3.49Å; F360-P362 WeakPolarHBondContact O-CD 3.42Å
361D48.8Very low52Low80 Ų80118 Ų11843%0.42861%0.61SS.*  trans-88.5112.1171.1-175.9-20.6000110.7T363D361-T363 PolarHBondContact O-N 2.78Å; D361-T363 VanDerWaalsContact O-N 3.12Å; D361-T363 WeakPolarHBondContact OD1-CA 3.2Å; D361-T363 WeakPolarHBondContact OD1-CB 3.27Å; D361-T363 PolarHBondContact OD1-N 2.92Å; D361-T363 PolarHBondContact OD1-OG1 3.13Å
362P42.6Very low53Low125 Ų125112.5 Ų112.581%0.81259%0.586SS**THydrogen-bonded Turntrans-77.611-17834.4-37.4000114F360F360-P362 WeakPolarHBondContact O-CD 3.42Å
363T45.5Very low54Low46 Ų46112.5 Ų112.528%0.28258%0.583SS.*THydrogen-bonded Turntrans-116.317.3-173.476.20000115.2K177 D361K177-T363 PolarHBondContact NZ-O 3.42Å; D361-T363 PolarHBondContact O-N 2.78Å; D361-T363 VanDerWaalsContact O-N 3.12Å; D361-T363 WeakPolarHBondContact OD1-CA 3.2Å; D361-T363 WeakPolarHBondContact OD1-CB 3.27Å; D361-T363 PolarHBondContact OD1-N 2.92Å; D361-T363 PolarHBondContact OD1-OG1 3.13Å
364R57.1Low54.2Low205 Ų205116 Ų11677%0.77459%0.593SS**SBendtrans-92.6144.1165.5-76.1-78.5168.8153.5-0.3111
365E50.7Low54.8Low183 Ų183109.7 Ų109.786%0.85557%0.567SS**SBendtrans-65.9166.1161.3-67.5-177.9139.800110.2M367E365-M367 PolarHBondContact O-N 3.45Å
366C52.8Low55Low131 Ų131109.3 Ų109.389%0.88557%0.566SS**SBendtrans-39.1132.8-168.3-165.50000114.9S368C366-S368 PolarHBondContact O-N 3.15Å
367M53.4Low55.4Low96 Ų96111.5 Ų111.547%0.47359%0.586SS.*  trans-44.9125.1174.7-68.3-85.1-74.800110.9E365 S369 L372E365-M367 PolarHBondContact O-N 3.45Å; M367-S369 PolarHBondContact O-N 2.95Å; M367-L372 HydrophobicContact CE-CD1 4.07Å
368S59.8Low55.6Low66 Ų66110.3 Ų110.346%0.46258%0.578SS.*  trans-62.5128.3173.2440000110.1C366 E370 L371 L372C366-S368 PolarHBondContact O-N 3.15Å; S368-E370 PolarHBondContact O-N 3.38Å; S368-L371 PolarHBondContact O-N 3.05Å; S368-L371 WeakPolarHBondContact OG-CB 3.49Å; S368-L372 PolarHBondContact O-N 3.19Å; S368-L372 VanDerWaalsContact O-N 3.14Å
369S59Low55.7Low90 Ų90111.9 Ų111.963%0.62959%0.585SS**Hα-helixtrans-54.4-40.8-176.747.30000112.7M367 L371 L372 E373M367-S369 PolarHBondContact O-N 2.95Å; S369-L371 VanDerWaalsContact C-N 3.31Å; S369-L371 PolarHBondContact O-N 3.31Å; S369-L372 PolarHBondContact O-N 3.16Å; S369-E373 PolarHBondContact O-N 3.02Å
370E54.9Low56.1Low156 Ų156113.5 Ų113.573%0.72960%0.598SS**Hα-helixtrans-59.2-38.9178.4-60172.9156.500112.3S368 E374S368-E370 PolarHBondContact O-N 3.38Å; E370-E374 PolarHBondContact O-N 3.5Å; E370-E374 VanDerWaalsContact O-N 3.12Å
371L59.8Low56.3Low86 Ų86111.2 Ų111.245%0.4559%0.588SS.*Hα-helixtrans-82.3-29.7-176.8-154.7153.6000111.4S368 S369 L375S368-L371 PolarHBondContact O-N 3.05Å; S368-L371 WeakPolarHBondContact OG-CB 3.49Å; S369-L371 VanDerWaalsContact C-N 3.31Å; S369-L371 PolarHBondContact O-N 3.31Å; L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 PolarHBondContact O-N 3.01Å
372L63.7Low56.6Low72 Ų72111.4 Ų111.438%0.37760%0.6SS.*Hα-helixtrans-67.6-37.6169.5-175.264.5000111.8M367 S368 S369 M376M367-L372 HydrophobicContact CE-CD1 4.07Å; S368-L372 PolarHBondContact O-N 3.19Å; S368-L372 VanDerWaalsContact O-N 3.14Å; S369-L372 PolarHBondContact O-N 3.16Å; L372-M376 HydrophobicContact CG-CE 4.16Å; L372-M376 WeakPolarHBondContact O-CB 3.39Å; L372-M376 WeakPolarHBondContact O-CG 3.22Å; L372-M376 PolarHBondContact O-N 3.39Å
373E65.4Low57.1Low134 Ų134111.1 Ų111.163%0.62660%0.598SS**Hα-helixtrans-69.2-40.1176.5-171.5167-157.300112.1S369 S377S369-E373 PolarHBondContact O-N 3.02Å; E373-S377 WeakPolarHBondContact O-CB 3.19Å; E373-S377 PolarHBondContact O-N 2.93Å; E373-S377 PolarHBondContact O-OG 2.76Å
374E62.6Low57.5Low148 Ų148115.8 Ų115.869%0.69262%0.621SS**Hα-helixtrans-63.3-44.9172.9-172.5162.8-149.500111.8E370 M376 S377 S378E370-E374 PolarHBondContact O-N 3.5Å; E370-E374 VanDerWaalsContact O-N 3.12Å; E374-M376 PolarHBondContact O-N 3Å; E374-S377 PolarHBondContact O-N 3.36Å; E374-S377 VanDerWaalsContact O-N 3.15Å; E374-S378 PolarHBondContact O-N 3.25Å
375L63.7Low57.5Low41 Ų41113.4 Ų113.422%0.21562%0.622CS.*Hα-helixtrans-64.6-41.2178.2-167.479.8000112.8L356 I359 L371 S377 S378L356-L375 HydrophobicContact CD2-CD1 4.31Å; I359-L375 HydrophobicContact CD1-CD1 4.06Å; I359-L375 HydrophobicContact CD1-CD2 3.52Å; I359-L375 HydrophobicContact CD1-CG 4.46Å; I359-L375 HydrophobicContact CG1-CD2 4.37Å; L371-L375 WeakPolarHBondContact O-CB 3.46Å; L371-L375 PolarHBondContact O-N 3.01Å; L375-S377 PolarHBondContact O-N 2.88Å; L375-S378 WeakPolarHBondContact O-CB 3.5Å; L375-S378 PolarHBondContact O-N 3.39Å
376M57.6Low57.8Low114 Ų114113 Ų11356%0.56261%0.613SS**Hα-helixtrans-70.1-15.1175.8-72.2-169.9-56.900113.5L372 E374L372-M376 HydrophobicContact CG-CE 4.16Å; L372-M376 WeakPolarHBondContact O-CB 3.39Å; L372-M376 WeakPolarHBondContact O-CG 3.22Å; L372-M376 PolarHBondContact O-N 3.39Å; E374-M376 PolarHBondContact O-N 3Å
377S58.8Low58Low97 Ų97114.4 Ų114.468%0.67861%0.611SS**THydrogen-bonded Turntrans-92.1-4.5177.2-58.70000113.5E373 E374 L375E373-S377 WeakPolarHBondContact O-CB 3.19Å; E373-S377 PolarHBondContact O-N 2.93Å; E373-S377 PolarHBondContact O-OG 2.76Å; E374-S377 PolarHBondContact O-N 3.36Å; E374-S377 VanDerWaalsContact O-N 3.15Å; L375-S377 PolarHBondContact O-N 2.88Å
378S59.2Low58.1Low60 Ų60113.1 Ų113.142%0.4261%0.611SS.*SBendtrans-81.6145.3-178.3-172.60000113E374 L375 V380E374-S378 PolarHBondContact O-N 3.25Å; L375-S378 WeakPolarHBondContact O-CB 3.5Å; L375-S378 PolarHBondContact O-N 3.39Å; S378-V380 PolarHBondContact O-N 2.69Å
379E55.9Low58.1Low181 Ų181115 Ų11585%0.84662%0.622SS**G310 helixtrans-64.2-8.2-172.8-61.4-17114200114.6F381 A382E379-F381 VanDerWaalsContact C-N 3.27Å; E379-F381 PolarHBondContact O-N 2.83Å; E379-A382 WeakPolarHBondContact O-CB 3.35Å; E379-A382 PolarHBondContact O-N 3.24Å
380V60.2Low57.9Low96 Ų96115 Ų11558%0.58262%0.62SS**G310 helixtrans-61.4-30.1-178.4-175.20000113.1S378S378-V380 PolarHBondContact O-N 2.69Å
381F50.5Low58.1Low129 Ų129110.1 Ų110.157%0.56660%0.602SS**G310 helixtrans-107.520.9-177.7-70.4-77.8000114.4E379 P383 L384E379-F381 VanDerWaalsContact C-N 3.27Å; E379-F381 PolarHBondContact O-N 2.83Å; F381-P383 VanDerWaalsContact O-CD 3.28Å; F381-P383 WeakPolarHBondContact O-CD 3.49Å; F381-P383 VanDerWaalsContact O-N 3.09Å; F381-L384 PolarHBondContact O-N 3.39Å
382A56.4Low58.4Low84 Ų84107.8 Ų107.869%0.69460%0.598SS**THydrogen-bonded Turntrans-53.3-25.2-171.500000119.4E379E379-A382 WeakPolarHBondContact O-CB 3.35Å; E379-A382 PolarHBondContact O-N 3.24Å
383P52.5Low57.9Low118 Ų118111.2 Ų111.277%0.76662%0.617SS**THydrogen-bonded Turntrans-84.6-5.5-177.731.8-34.8000115.6F381F381-P383 VanDerWaalsContact O-CD 3.28Å; F381-P383 WeakPolarHBondContact O-CD 3.49Å; F381-P383 VanDerWaalsContact O-N 3.09Å
384L52.9Low57.4Low144 Ų144112.2 Ų112.275%0.75462%0.622SS**  trans-111100-171.9-64.2-178.6000113.4F381 R386F381-L384 PolarHBondContact O-N 3.39Å; L384-R386 PolarHBondContact O-N 2.82Å
385L57Low57.4Low155 Ų155110 Ų11081%0.81261%0.614SS**  trans-84.4111178.1-166.976.5000111.9L387L385-L387 HydrophobicContact CD2-CD2 3.98Å; L385-L387 HydrophobicContact CG-CD2 4.38Å
386R57.6Low57Low175 Ų175116.2 Ų116.266%0.6664%0.636SS**  trans-84122.3177.3-162.9173-173.5160.40.8111L384L384-R386 PolarHBondContact O-N 2.82Å
387L57.8Low56.8Low161 Ų161115.3 Ų115.384%0.84363%0.633SS**  trans-99.411.9-173.5-67.1176.8000114.9L385L385-L387 HydrophobicContact CD2-CD2 3.98Å; L385-L387 HydrophobicContact CG-CD2 4.38Å
388S55.1Low56.7Low68 Ų68120.2 Ų120.248%0.47664%0.638SS.*SBendtrans-126.6154.7171.174.20000110
389P58.9Low56.7Low107 Ų107124 Ų12470%0.69565%0.653SS**PPolyproline II helixtrans-53.9156.5160.5-2233.9000111.1
390P56Low56.8Low89 Ų89118.8 Ų118.858%0.57863%0.631SS**PPolyproline II helixtrans-59.5139.4158.1-16.631000109.4
391P58.3Low57.1Low53 Ų53118.5 Ų118.534%0.34463%0.626SS.*PPolyproline II helixtrans-61.6138.8165.627.6-33.4000109.5D395 Y396P391-D395 VanDerWaalsContact CA-OD2 3.29Å; P391-D395 WeakPolarHBondContact CA-OD2 3.32Å; P391-D395 HydrophobicContact CB-CB 3.92Å; P391-Y396 HydrophobicContact CB-CE2 3.93Å; P391-Y396 HydrophobicContact CG-CE2 3.75Å; P391-Y396 VanDerWaalsContact CG-OH 3.29Å; P391-Y396 WeakPolarHBondContact CG-OH 3.31Å
392G65.7Low57.7Low37 Ų37122.5 Ų122.538%0.38165%0.646SS.*PPolyproline II helixtrans-86169.9178.900000112.5H394 D395G392-H394 PolarHBondContact O-N 3.09Å; G392-D395 PolarHBondContact N-OD2 3.05Å; G392-D395 WeakPolarHBondContact O-CB 3.49Å; G392-D395 PolarHBondContact O-N 3.34Å
393D54.9Low58.1Low144 Ų144123.3 Ų123.377%0.7765%0.647SS**THydrogen-bonded Turntrans-54.9-25.8-178.4-59-30.1000113.7I397D393-I397 WeakPolarHBondContact O-CG1 3.4Å
394H54.7Low59Low156 Ų156122.5 Ų122.572%0.72263%0.633SS**THydrogen-bonded Turntrans-79.2-24.5177-60.4-36.4000114.3G392 Y396 I397G392-H394 PolarHBondContact O-N 3.09Å; H394-Y396 PolarHBondContact O-N 3.32Å; H394-I397 PolarHBondContact O-N 3.36Å
395D61.3Low59.8Low101 Ų101116.9 Ų116.954%0.5461%0.61SS.*THydrogen-bonded Turntrans-71.9-13.4179.6-62.9-41.1000112.3P391 G392P391-D395 VanDerWaalsContact CA-OD2 3.29Å; P391-D395 WeakPolarHBondContact CA-OD2 3.32Å; P391-D395 HydrophobicContact CB-CB 3.92Å; G392-D395 PolarHBondContact N-OD2 3.05Å; G392-D395 WeakPolarHBondContact O-CB 3.49Å; G392-D395 PolarHBondContact O-N 3.34Å
396Y54.9Low60.1Low171 Ų171114.3 Ų114.367%0.67160%0.601SS**THydrogen-bonded Turntrans-95.5-6.5176.1-69.4-79.7000113.9P391 H394 Y398P391-Y396 HydrophobicContact CB-CE2 3.93Å; P391-Y396 HydrophobicContact CG-CE2 3.75Å; P391-Y396 VanDerWaalsContact CG-OH 3.29Å; P391-Y396 WeakPolarHBondContact CG-OH 3.31Å; H394-Y396 PolarHBondContact O-N 3.32Å; Y396-Y398 VanDerWaalsContact C-N 3.31Å; Y396-Y398 PolarHBondContact O-N 3.15Å
397I55Low60.2Low95 Ų95109.4 Ų109.449%0.48759%0.592SS.*  trans-89.864.8-174.8-49.2177.6000110.7D393 H394 N399D393-I397 WeakPolarHBondContact O-CG1 3.4Å; H394-I397 PolarHBondContact O-N 3.36Å; I397-N399 WeakPolarHBondContact CG2-ND2 3.48Å; I397-N399 PolarHBondContact O-N 3.42Å; I397-N399 VanDerWaalsContact O-N 3.14Å
398Y56.6Low60.6Low201 Ų201106.6 Ų106.679%0.78858%0.578SS**  trans-83.869.5166.2-79.9-87.6000110.5Y396Y396-Y398 VanDerWaalsContact C-N 3.31Å; Y396-Y398 PolarHBondContact O-N 3.15Å
399N58Low61.2Low139 Ų139108.4 Ų108.474%0.74358%0.582SS**PPolyproline II helixtrans-82.4119166.2-69.7-25.1000109I397I397-N399 WeakPolarHBondContact CG2-ND2 3.48Å; I397-N399 PolarHBondContact O-N 3.42Å; I397-N399 VanDerWaalsContact O-N 3.14Å
400L59.5Low61.5Low71 Ų71110.1 Ų110.137%0.37258%0.579SS.*PPolyproline II helixtrans-64.7147.5160.3-64.4171.6000109E404 V406L400-E404 HydrophobicContact CB-CB 4.02Å; L400-E404 HydrophobicContact CD2-CB 4.12Å; L400-V406 HydrophobicContact CD1-CG2 4.36Å
401D64.7Low61.6Low91 Ų91113.5 Ų113.549%0.48759%0.592SS.*PPolyproline II helixtrans-73.5163.3172105.338.6000111.9S403 E404D401-S403 PolarHBondContact O-N 3.12Å; D401-S403 WeakPolarHBondContact OD1-CA 3.47Å; D401-S403 WeakPolarHBondContact OD1-CB 3.46Å; D401-S403 PolarHBondContact OD1-N 3.08Å; D401-S403 PolarHBondContact OD1-OG 3.46Å; D401-E404 PolarHBondContact N-OE2 3.48Å; D401-E404 VanDerWaalsContact N-OE2 3.15Å; D401-E404 PolarHBondContact O-N 3.02Å
402E63.8Low61.6Low212 Ų212115.3 Ų115.399%0.99160%0.601SS**THydrogen-bonded Turntrans-59.5-9-176.1-61.9-172.2142.500114.5
403S64.6Low61.2Low102 Ų102118.8 Ų118.871%0.71362%0.617SS**THydrogen-bonded Turntrans-110.5-5.9175.8690000115.2D401D401-S403 PolarHBondContact O-N 3.12Å; D401-S403 WeakPolarHBondContact OD1-CA 3.47Å; D401-S403 WeakPolarHBondContact OD1-CB 3.46Å; D401-S403 PolarHBondContact OD1-N 3.08Å; D401-S403 PolarHBondContact OD1-OG 3.46Å
404E72.2Confident61.6Low101 Ų101116.6 Ų116.647%0.47261%0.609SS.*  trans-95.4143.5178.8-68.6-175.7138.700112.4L400 D401L400-E404 HydrophobicContact CB-CB 4.02Å; L400-E404 HydrophobicContact CD2-CB 4.12Å; D401-E404 PolarHBondContact N-OE2 3.48Å; D401-E404 VanDerWaalsContact N-OE2 3.15Å; D401-E404 PolarHBondContact O-N 3.02Å
405G68.9Low61.7Low26 Ų26117 Ų11727%0.26862%0.615SS.*  trans-108.4161.4-179.600000113.6C407 D408G405-C407 PolarHBondContact O-N 2.93Å; G405-D408 WeakPolarHBondContact CA-OD2 3.48Å; G405-D408 PolarHBondContact N-OD2 3.19Å; G405-D408 PolarHBondContact O-N 3.11Å
406V63.1Low61.3Low101 Ų101119.2 Ų119.261%0.61263%0.628SS**THydrogen-bonded Turntrans-57.4-22.1170.3-178.30000111.8L400 D408 F410L400-V406 HydrophobicContact CD1-CG2 4.36Å; V406-D408 VanDerWaalsContact C-N 3.35Å; V406-F410 HydrophobicContact CG1-CE2 4.28Å; V406-F410 WeakPolarHBondContact O-CD2 3.38Å
407C61Low60.6Low71 Ų71122.6 Ų122.648%0.4866%0.656SS.*THydrogen-bonded Turntrans-60.6-39.4173.7-55.60000113.4G405 L409 F410G405-C407 PolarHBondContact O-N 2.93Å; C407-L409 VanDerWaalsContact C-N 3.26Å; C407-L409 PolarHBondContact O-N 3.32Å; C407-F410 PolarHBondContact O-N 3.45Å
408D64.8Low60.9Low103 Ų103124 Ų12455%0.55167%0.665SS**G310 helixtrans-73.5-22-172.6-55.6-66.7000111.7G405 V406 F410G405-D408 WeakPolarHBondContact CA-OD2 3.48Å; G405-D408 PolarHBondContact N-OD2 3.19Å; G405-D408 PolarHBondContact O-N 3.11Å; V406-D408 VanDerWaalsContact C-N 3.35Å; D408-F410 PolarHBondContact O-N 3.4Å
409L67.8Low61.1Low106 Ų106119.9 Ų119.956%0.55566%0.658SS**G310 helixtrans-70-9.2175.2-15870.5000113.9C407C407-L409 VanDerWaalsContact C-N 3.26Å; C407-L409 PolarHBondContact O-N 3.32Å
410F65.3Low61.3Low143 Ų143118.9 Ų118.963%0.62765%0.653SS**G310 helixtrans-130.814.3-172.1-65.9-74.3000114.9V406 C407 D408 V412V406-F410 HydrophobicContact CG1-CE2 4.28Å; V406-F410 WeakPolarHBondContact O-CD2 3.38Å; C407-F410 PolarHBondContact O-N 3.45Å; D408-F410 PolarHBondContact O-N 3.4Å; F410-V412 HydrophobicContact CB-CG2 3.84Å; F410-V412 WeakPolarHBondContact O-CG2 3.17Å; F410-V412 PolarHBondContact O-N 3.46Å; F410-V412 VanDerWaalsContact O-N 3.08Å
411D58.8Low61.4Low160 Ų160121.7 Ų121.786%0.85667%0.67SS**THydrogen-bonded Turntrans52.928.1178.8-82.5-39.2000114.4P413D411-P413 VanDerWaalsContact O-CD 3.29Å; D411-P413 WeakPolarHBondContact O-CD 3.46Å
412V58.8Low61.2Low90 Ų90123.6 Ų123.655%0.54568%0.681SS.*  trans-82.3115.3-174.1-173.20000110.6F410 V414F410-V412 HydrophobicContact CB-CG2 3.84Å; F410-V412 WeakPolarHBondContact O-CG2 3.17Å; F410-V412 PolarHBondContact O-N 3.46Å; F410-V412 VanDerWaalsContact O-N 3.08Å; V412-V414 PolarHBondContact O-N 3.09Å
413P57.3Low61Low110 Ų110117.7 Ų117.771%0.71466%0.661SS**  trans-71104.5-178.628.4-34.2000111.2D411 L415D411-P413 VanDerWaalsContact O-CD 3.29Å; D411-P413 WeakPolarHBondContact O-CD 3.46Å; P413-L415 PolarHBondContact O-N 3.37Å
414V63.3Low60.8Low99 Ų99118.9 Ų118.960%0.666%0.657SS**  trans-66.5113.5177-176.50000110V412 N416V412-V414 PolarHBondContact O-N 3.09Å; V414-N416 PolarHBondContact O-N 3.48Å
415L56.4Low59.9Low163 Ų163120.2 Ų120.285%0.85367%0.671SS**  trans-77.998.2171.7-68.9174.1000109.4P413P413-L415 PolarHBondContact O-N 3.37Å
416N52.8Low59.1Low149 Ų149128.1 Ų128.180%0.79771%0.705SS**  trans-58.6139.4173.5-70.4-28.9000111.6V414V414-N416 PolarHBondContact O-N 3.48Å
417L40.6Very low58.8Low242 Ų242130.5 Ų130.5100%1.26771%0.713SS**  trans-92.80171.3-117.374.9000111.4

Retrieved 417 of 417 residues in 59.2 ms (Link to these results)