A0A087XQ39_POEFO Loading...

Hyaluronan binding protein 4

AlphaFold DB , UniProt , Accession A0A087XQ39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M49.5Very low61.5Low237 Ų237144.5 Ų144.5100%1.16784%0.841SS**  01130-55.3170.7-165.800106.2
2L51Low62.7Low174 Ų174141.5 Ų141.591%0.91182%0.82SS**PPolyproline II helixtrans-99.7147.6161.8-96.864.1000106.7
3Q54.8Low63.2Low190 Ų190148.5 Ų148.589%0.88882%0.824SS**PPolyproline II helixtrans-80139.7-175.2-69.1160-27.300109.9A5Q3-A5 PolarHBondContact O-N 3.34Å
4D56Low63.4Low146 Ų146148.9 Ų148.978%0.78181%0.813SS**PPolyproline II helixtrans-60.1127.5175.6-62-64.1000110.2F6D4-F6 PolarHBondContact O-N 3.24Å
5A60.5Low63.4Low102 Ų102142.5 Ų142.584%0.84380%0.796SS**  trans-72.5114.9-179.800000109.6Q3 G7Q3-A5 PolarHBondContact O-N 3.34Å; A5-G7 VanDerWaalsContact C-N 3.31Å; A5-G7 PolarHBondContact O-N 3.48Å
6F60.8Low63.5Low207 Ų207143.1 Ų143.191%0.90880%0.797SS**  trans-65.584.9178.6-65.4-85.2000111.7D4 C8D4-F6 PolarHBondContact O-N 3.24Å; F6-C8 PolarHBondContact O-N 2.81Å
7G69.8Low63.5Low63 Ų63141.1 Ų141.165%0.64978%0.784SS**  trans-79.2110171.800000111.2A5 V9A5-G7 VanDerWaalsContact C-N 3.31Å; A5-G7 PolarHBondContact O-N 3.48Å; G7-V9 PolarHBondContact O-N 3.14Å; G7-V9 VanDerWaalsContact O-N 3.14Å
8C64.1Low63.4Low119 Ų119141.9 Ų141.980%0.80479%0.786SS**  trans-67.2108.7169-67.10000109.9F6 V10F6-C8 PolarHBondContact O-N 2.81Å; C8-V10 PolarHBondContact O-N 3.44Å
9V68.7Low63.2Low140 Ų140141.7 Ų141.785%0.84878%0.783SS**  trans-72.293.4171.8-178.60000108.7G7 A11G7-V9 PolarHBondContact O-N 3.14Å; G7-V9 VanDerWaalsContact O-N 3.14Å; V9-A11 VanDerWaalsContact C-N 3.32Å; V9-A11 PolarHBondContact O-N 2.98Å
10V68.1Low63.1Low131 Ų131141.7 Ų141.779%0.79478%0.782SS**  trans-77.784.6174.1-175.60000108.7C8 N12C8-V10 PolarHBondContact O-N 3.44Å; V10-N12 PolarHBondContact O-N 3.26Å
11A73.4Confident63Low80 Ų80143.7 Ų143.766%0.66179%0.786SS**  trans-64.3125.4166.600000109.2V9 R13V9-A11 VanDerWaalsContact C-N 3.32Å; V9-A11 PolarHBondContact O-N 2.98Å; A11-R13 PolarHBondContact O-N 2.98Å
12N76Confident64Low109 Ų109135 Ų13558%0.58375%0.751SS**  trans-69.3117.3175.2-178.811.4000109.3V10 F14 G15V10-N12 PolarHBondContact O-N 3.26Å; N12-F14 PolarHBondContact O-N 3.02Å; N12-F14 VanDerWaalsContact O-N 3.1Å; N12-F14 WeakPolarHBondContact OD1-CD2 3.3Å; N12-F14 PolarHBondContact OD1-N 3.26Å; N12-F14 VanDerWaalsContact OD1-N 3.1Å; N12-G15 PolarHBondContact O-N 3.4Å
13R69.3Low65.6Low232 Ų232130.3 Ų130.388%0.87573%0.727SS**THydrogen-bonded Turntrans-63.4-14.1178.1-72.1-176.9173.7177.3-2.8114A11A11-R13 PolarHBondContact O-N 2.98Å
14F65.8Low66.9Low154 Ų154125.4 Ų125.468%0.67571%0.712SS**THydrogen-bonded Turntrans-97.59.3173.9-54.3-75.3000113.1N12 D16 L17N12-F14 PolarHBondContact O-N 3.02Å; N12-F14 VanDerWaalsContact O-N 3.1Å; N12-F14 WeakPolarHBondContact OD1-CD2 3.3Å; N12-F14 PolarHBondContact OD1-N 3.26Å; N12-F14 VanDerWaalsContact OD1-N 3.1Å; F14-D16 VanDerWaalsContact C-N 3.33Å; F14-L17 HydrophobicContact CB-CD1 4.44Å; F14-L17 HydrophobicContact CD1-CD1 4.37Å
15G63.3Low67.9Low54 Ų54125.8 Ų125.856%0.55771%0.707SS**THydrogen-bonded Turntrans-74.3-23172.600000113.7N12 L17N12-G15 PolarHBondContact O-N 3.4Å; G15-L17 VanDerWaalsContact C-N 3.3Å; G15-L17 PolarHBondContact O-N 3.5Å
16D64.9Low69Low152 Ų152125.9 Ų125.981%0.81369%0.693SS**THydrogen-bonded Turntrans-95.732.3175.2-57.4-29.2000111.5F14 L18F14-D16 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 3.47Å
17L64.1Low70.1Confident109 Ų109120.4 Ų120.457%0.57167%0.673SS**  trans-66.4118.7162.3-11770.5000107F14 G15F14-L17 HydrophobicContact CB-CD1 4.44Å; F14-L17 HydrophobicContact CD1-CD1 4.37Å; G15-L17 VanDerWaalsContact C-N 3.3Å; G15-L17 PolarHBondContact O-N 3.5Å
18L60.4Low70.7Confident155 Ų155121.8 Ų121.881%0.81266%0.664SS**  trans-54.9145.2169.8-60.6173.4000108.8D16 D20D16-L18 PolarHBondContact O-N 3.47Å; L18-D20 PolarHBondContact O-N 3.03Å
19D61.3Low71.6Confident139 Ų139118.4 Ų118.474%0.74364%0.642SS**  trans-58.790.1-172-65.8-54.8000113.2E21D19-E21 PolarHBondContact O-N 2.76Å; D19-E21 VanDerWaalsContact O-N 3.11Å
20D59.7Low72.4Confident141 Ų141117.9 Ų117.975%0.75463%0.63SS**THydrogen-bonded Turntrans-69.97.2168.2-75.2-35.9000111.8L18 A22L18-D20 PolarHBondContact O-N 3.03Å; D20-A22 PolarHBondContact O-N 3.04Å
21E62Low73.2Confident184 Ų184114.9 Ų114.986%0.8661%0.612SS**THydrogen-bonded Turntrans-72.3-8.2172-62.2-158.8157.700113.3D19 D23D19-E21 PolarHBondContact O-N 2.76Å; D19-E21 VanDerWaalsContact O-N 3.11Å; E21-D23 PolarHBondContact O-N 3.03Å; E21-D23 VanDerWaalsContact O-N 3.14Å
22A70.9Confident73.7Confident54 Ų54116.4 Ų116.445%0.44661%0.605SS.*SBendtrans-69.6105173.400000111.3D20 L27D20-A22 PolarHBondContact O-N 3.04Å; A22-L27 HydrophobicContact CB-CD1 4.44Å; A22-L27 HydrophobicContact CB-CD2 4.37Å; A22-L27 HydrophobicContact CB-CG 4.36Å
23D83.3Confident74.1Confident76 Ų76115.6 Ų115.641%0.40660%0.6SS.*  trans-54.8130.3176.8-170.7-40.3000110.3E21 F25 D26 L27E21-D23 PolarHBondContact O-N 3.03Å; E21-D23 VanDerWaalsContact O-N 3.14Å; D23-F25 PolarHBondContact O-N 3.1Å; D23-F25 WeakPolarHBondContact OD1-CB 3.3Å; D23-F25 VanDerWaalsContact OD1-CD2 3.31Å; D23-F25 WeakPolarHBondContact OD1-CD2 3.24Å; D23-F25 PolarHBondContact OD1-N 3.27Å; D23-D26 HydrophobicContact CB-CB 4.39Å; D23-D26 PolarHBondContact O-N 3.12Å; D23-L27 PolarHBondContact O-N 3.1Å
24P83Confident74.8Confident86 Ų86109 Ų10956%0.55858%0.579SS**Hα-helixtrans-54.2-25.5175.221.9-34.4000114I28P24-I28 WeakPolarHBondContact O-CD1 3.46Å; P24-I28 VanDerWaalsContact O-CG1 3.23Å; P24-I28 WeakPolarHBondContact O-CG1 3.47Å; P24-I28 PolarHBondContact O-N 2.93Å
25F75.9Confident75.7Confident154 Ų154106.8 Ų106.868%0.67557%0.57SS**Hα-helixtrans-72.2-37.9172.5-71.4-73.3000113.3D23 I28 S29D23-F25 PolarHBondContact O-N 3.1Å; D23-F25 WeakPolarHBondContact OD1-CB 3.3Å; D23-F25 VanDerWaalsContact OD1-CD2 3.31Å; D23-F25 WeakPolarHBondContact OD1-CD2 3.24Å; D23-F25 PolarHBondContact OD1-N 3.27Å; F25-I28 PolarHBondContact O-N 2.74Å; F25-S29 PolarHBondContact O-N 3.11Å
26D83.6Confident76.6Confident104 Ų104108.1 Ų108.156%0.55656%0.562SS**Hα-helixtrans-64.8-44.5175.8-82.3-16.5000110.4D23 I28 S29 E30D23-D26 HydrophobicContact CB-CB 4.39Å; D23-D26 PolarHBondContact O-N 3.12Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.38Å; D26-S29 WeakPolarHBondContact O-CA 3.35Å; D26-S29 WeakPolarHBondContact O-CB 3.49Å; D26-S29 PolarHBondContact O-N 3.14Å; D26-S29 PolarHBondContact O-OG 2.92Å; D26-E30 PolarHBondContact O-N 3.31Å
27L83.7Confident77.3Confident93 Ų93107.4 Ų107.449%0.48755%0.551SS.*Hα-helixtrans-57.5-39.9173.5-66.7175000112.5A22 D23 V31A22-L27 HydrophobicContact CB-CD1 4.44Å; A22-L27 HydrophobicContact CB-CD2 4.37Å; A22-L27 HydrophobicContact CB-CG 4.36Å; D23-L27 PolarHBondContact O-N 3.1Å; L27-V31 WeakPolarHBondContact O-CB 3.48Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 2.88Å
28I82.8Confident78Confident92 Ų92107.9 Ų107.947%0.47255%0.549SS..Hα-helixtrans-64.8-45.7173.3-70.9163.7000110.2P24 F25 D26 E30 V31 E32P24-I28 WeakPolarHBondContact O-CD1 3.46Å; P24-I28 VanDerWaalsContact O-CG1 3.23Å; P24-I28 WeakPolarHBondContact O-CG1 3.47Å; P24-I28 PolarHBondContact O-N 2.93Å; F25-I28 PolarHBondContact O-N 2.74Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.38Å; I28-E30 PolarHBondContact O-N 3.1Å; I28-V31 PolarHBondContact O-N 2.83Å; I28-E32 HydrophobicContact CG2-CG 4.42Å; I28-E32 WeakPolarHBondContact O-CG 3.42Å; I28-E32 PolarHBondContact O-N 3.44Å
29S83.6Confident78.8Confident47 Ų47107 Ų10733%0.32954%0.538SS..Hα-helixtrans-61.7-43-178.788.70000112.3F25 D26 V31 E32 L33F25-S29 PolarHBondContact O-N 3.11Å; D26-S29 WeakPolarHBondContact O-CA 3.35Å; D26-S29 WeakPolarHBondContact O-CB 3.49Å; D26-S29 PolarHBondContact O-N 3.14Å; D26-S29 PolarHBondContact O-OG 2.92Å; S29-V31 PolarHBondContact O-N 3.02Å; S29-E32 PolarHBondContact O-N 2.87Å; S29-L33 WeakPolarHBondContact O-CB 3.23Å; S29-L33 VanDerWaalsContact O-CG 3.29Å; S29-L33 WeakPolarHBondContact O-CG 3.29Å; S29-L33 PolarHBondContact O-N 2.97Å
30E84.9Confident79.4Confident130 Ų130106 Ų10661%0.60753%0.527SS*.Hα-helixtrans-62.9-45.2176.5-71.1-153.9135.900111.2D26 I28 E32 L33 E34D26-E30 PolarHBondContact O-N 3.31Å; I28-E30 PolarHBondContact O-N 3.1Å; E30-E32 VanDerWaalsContact C-N 3.28Å; E30-E32 PolarHBondContact O-N 3.3Å; E30-L33 PolarHBondContact O-N 3.29Å; E30-E34 WeakPolarHBondContact O-CB 3.13Å; E30-E34 PolarHBondContact O-N 3.23Å
31V86.4Confident80Confident67 Ų67106.1 Ų106.141%0.40652%0.521SS..Hα-helixtrans-64.4-32.7177.4166.40000111.4L27 I28 S29 K35L27-V31 WeakPolarHBondContact O-CB 3.48Å; L27-V31 VanDerWaalsContact O-CG2 3.23Å; L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 2.88Å; I28-V31 PolarHBondContact O-N 2.83Å; S29-V31 PolarHBondContact O-N 3.02Å; V31-K35 HydrophobicContact CG1-CD 4.19Å; V31-K35 VanDerWaalsContact CG1-CE 3.41Å; V31-K35 WeakPolarHBondContact O-CB 2.94Å; V31-K35 VanDerWaalsContact O-CD 3.32Å; V31-K35 WeakPolarHBondContact O-CD 3.31Å; V31-K35 WeakPolarHBondContact O-CG 3.23Å; V31-K35 PolarHBondContact O-N 2.92Å
32E83.4Confident80.5Confident113 Ų113103.5 Ų103.553%0.52851%0.507SS..Hα-helixtrans-74.1-42.8172.7-69.3-157.4153.300113I28 S29 E30 E34 K35 E36I28-E32 HydrophobicContact CG2-CG 4.42Å; I28-E32 WeakPolarHBondContact O-CG 3.42Å; I28-E32 PolarHBondContact O-N 3.44Å; S29-E32 PolarHBondContact O-N 2.87Å; E30-E32 VanDerWaalsContact C-N 3.28Å; E30-E32 PolarHBondContact O-N 3.3Å; E32-E34 VanDerWaalsContact C-N 3.27Å; E32-E34 PolarHBondContact O-N 3.1Å; E32-K35 CarbonylContact O-C 3.41Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 2.74Å; E32-K35 VanDerWaalsContact O-N 3.14Å; E32-E36 WeakPolarHBondContact O-CB 3.39Å; E32-E36 WeakPolarHBondContact O-CG 3.49Å; E32-E36 PolarHBondContact O-N 3.08Å
33L84.3Confident80.2Confident91 Ų91107.6 Ų107.648%0.47652%0.515SS..Hα-helixtrans-61.6-35171.9-70.5171.2000111.8S29 E30 E36 K37S29-L33 WeakPolarHBondContact O-CB 3.23Å; S29-L33 VanDerWaalsContact O-CG 3.29Å; S29-L33 WeakPolarHBondContact O-CG 3.29Å; S29-L33 PolarHBondContact O-N 2.97Å; E30-L33 PolarHBondContact O-N 3.29Å; L33-E36 WeakPolarHBondContact O-CB 3.37Å; L33-K37 WeakPolarHBondContact O-CB 3.29Å; L33-K37 VanDerWaalsContact O-CD 3.23Å; L33-K37 WeakPolarHBondContact O-CD 3.4Å; L33-K37 WeakPolarHBondContact O-CG 3.44Å; L33-K37 PolarHBondContact O-N 3.35Å
34E84.4Confident79.3Confident93 Ų93109.4 Ų109.444%0.43552%0.52SS..Hα-helixtrans-64.9-49.8169.1-86.6-132.8108.200112.1E30 E32 E36 K37 K38E30-E34 WeakPolarHBondContact O-CB 3.13Å; E30-E34 PolarHBondContact O-N 3.23Å; E32-E34 VanDerWaalsContact C-N 3.27Å; E32-E34 PolarHBondContact O-N 3.1Å; E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.41Å; E34-K37 PolarHBondContact O-N 2.91Å; E34-K38 VanDerWaalsContact O-CB 3.28Å; E34-K38 WeakPolarHBondContact O-CB 3.36Å; E34-K38 WeakPolarHBondContact O-CD 3.45Å; E34-K38 WeakPolarHBondContact O-CG 3.14Å; E34-K38 PolarHBondContact O-N 2.92Å; E34-K38 WeakPolarHBondContact OE1-CE 3.02Å; E34-K38 IonicContact OE1-NZ 3.23Å; E34-K38 PolarHBondContact OE1-NZ 3.02Å; E34-K38 IonicContact OE2-NZ 2.66Å; E34-K38 PolarHBondContact OE2-NZ 2.75Å
35K83.9Confident78.2Confident108 Ų108109.1 Ų109.147%0.4751%0.514SS..Hα-helixtrans-58-40.6176.6-73.6159.5-174.2164.60110.7V31 E32 K39V31-K35 HydrophobicContact CG1-CD 4.19Å; V31-K35 VanDerWaalsContact CG1-CE 3.41Å; V31-K35 WeakPolarHBondContact O-CB 2.94Å; V31-K35 VanDerWaalsContact O-CD 3.32Å; V31-K35 WeakPolarHBondContact O-CD 3.31Å; V31-K35 WeakPolarHBondContact O-CG 3.23Å; V31-K35 PolarHBondContact O-N 2.92Å; E32-K35 CarbonylContact O-C 3.41Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 2.74Å; E32-K35 VanDerWaalsContact O-N 3.14Å; K35-K39 VanDerWaalsContact O-CB 3.32Å; K35-K39 WeakPolarHBondContact O-CB 3.43Å; K35-K39 WeakPolarHBondContact O-CD 3.21Å; K35-K39 WeakPolarHBondContact O-CG 3.23Å; K35-K39 PolarHBondContact O-N 2.65Å
36E81.3Confident77.4Confident83 Ų83106.7 Ų106.739%0.38851%0.505SS..Hα-helixtrans-59-55.7171.8-82.5-97.2117.500112.1E32 L33 E34 K38 K39 K40E32-E36 WeakPolarHBondContact O-CB 3.39Å; E32-E36 WeakPolarHBondContact O-CG 3.49Å; E32-E36 PolarHBondContact O-N 3.08Å; L33-E36 WeakPolarHBondContact O-CB 3.37Å; E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.41Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.49Å; E36-K39 PolarHBondContact O-N 3.07Å; E36-K40 WeakPolarHBondContact O-CB 3.42Å; E36-K40 WeakPolarHBondContact O-CG 3.34Å; E36-K40 PolarHBondContact O-N 3.13Å; E36-K40 WeakPolarHBondContact OE2-CE 3.23Å; E36-K40 IonicContact OE2-NZ 2.77Å; E36-K40 PolarHBondContact OE2-NZ 3.28Å
37K80.8Confident76.3Confident136 Ų136106.4 Ų106.459%0.59150%0.503SS*.Hα-helixtrans-58-41.8178.4-71.1159.3-169.1168.70111.1L33 E34 K40 K41L33-K37 WeakPolarHBondContact O-CB 3.29Å; L33-K37 VanDerWaalsContact O-CD 3.23Å; L33-K37 WeakPolarHBondContact O-CD 3.4Å; L33-K37 WeakPolarHBondContact O-CG 3.44Å; L33-K37 PolarHBondContact O-N 3.35Å; E34-K37 PolarHBondContact O-N 2.91Å; K37-K40 PolarHBondContact O-N 3.27Å; K37-K41 WeakPolarHBondContact O-CB 3.1Å; K37-K41 PolarHBondContact O-N 3.3Å
38K78.9Confident75.1Confident120 Ų120108.1 Ų108.152%0.52251%0.507SS..Hα-helixtrans-67.1-41.2176.7-69.6164.2-174174.40111.8E34 E36 K42E34-K38 VanDerWaalsContact O-CB 3.28Å; E34-K38 WeakPolarHBondContact O-CB 3.36Å; E34-K38 WeakPolarHBondContact O-CD 3.45Å; E34-K38 WeakPolarHBondContact O-CG 3.14Å; E34-K38 PolarHBondContact O-N 2.92Å; E34-K38 WeakPolarHBondContact OE1-CE 3.02Å; E34-K38 IonicContact OE1-NZ 3.23Å; E34-K38 PolarHBondContact OE1-NZ 3.02Å; E34-K38 IonicContact OE2-NZ 2.66Å; E34-K38 PolarHBondContact OE2-NZ 2.75Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.49Å; K38-K42 WeakPolarHBondContact O-CB 3.32Å; K38-K42 PolarHBondContact O-N 2.78Å
39K75.9Confident73.8Confident135 Ų135112.1 Ų112.159%0.58752%0.521SS*.Hα-helixtrans-63.4-45.8171.9-76.3165.5-178174.70112.2K35 E36 K42 K43K35-K39 VanDerWaalsContact O-CB 3.32Å; K35-K39 WeakPolarHBondContact O-CB 3.43Å; K35-K39 WeakPolarHBondContact O-CD 3.21Å; K35-K39 WeakPolarHBondContact O-CG 3.23Å; K35-K39 PolarHBondContact O-N 2.65Å; E36-K39 PolarHBondContact O-N 3.07Å; K39-K42 PolarHBondContact O-N 3.07Å; K39-K43 PolarHBondContact O-N 3.19Å
40K74.8Confident72.2Confident119 Ų119113.4 Ų113.452%0.51753%0.53SS..Hα-helixtrans-61.8-50.4179.5-75.7163.5172.9164.80110.8E36 K37 K42 K43 E44E36-K40 WeakPolarHBondContact O-CB 3.42Å; E36-K40 WeakPolarHBondContact O-CG 3.34Å; E36-K40 PolarHBondContact O-N 3.13Å; E36-K40 WeakPolarHBondContact OE2-CE 3.23Å; E36-K40 IonicContact OE2-NZ 2.77Å; E36-K40 PolarHBondContact OE2-NZ 3.28Å; K37-K40 PolarHBondContact O-N 3.27Å; K40-K42 VanDerWaalsContact C-N 3.35Å; K40-K42 PolarHBondContact O-N 3.03Å; K40-K43 PolarHBondContact O-N 2.89Å; K40-E44 PolarHBondContact O-N 2.83Å
41K73.1Confident70.6Confident143 Ų143116 Ų11662%0.62254%0.539SS*.Hα-helixtrans-59.3-41.2174.5-170.7172.8-176.7175.90112.9K37 E44 D45K37-K41 WeakPolarHBondContact O-CB 3.1Å; K37-K41 PolarHBondContact O-N 3.3Å; K41-E44 PolarHBondContact O-N 2.94Å; K41-D45 PolarHBondContact O-N 2.81Å; K41-D45 VanDerWaalsContact O-N 3.14Å
42K71.4Confident69.1Low129 Ų129120.9 Ų120.956%0.56156%0.558SS**Hα-helixtrans-62.5-42.2175.9-170.6-176177.1-153.10112.2K38 K39 K40 D45 E46K38-K42 WeakPolarHBondContact O-CB 3.32Å; K38-K42 PolarHBondContact O-N 2.78Å; K39-K42 PolarHBondContact O-N 3.07Å; K40-K42 VanDerWaalsContact C-N 3.35Å; K40-K42 PolarHBondContact O-N 3.03Å; K42-D45 PolarHBondContact O-N 3.5Å; K42-E46 WeakPolarHBondContact CE-OE1 3.37Å; K42-E46 IonicContact NZ-OE1 2.65Å; K42-E46 PolarHBondContact NZ-OE1 2.89Å; K42-E46 PolarHBondContact O-N 3.34Å
43K65.6Low67.4Low141 Ų141125.2 Ų125.261%0.61358%0.575SS**Hα-helixtrans-60.8-46.4174.9-76.5-176.7173.4-173.60111.7K39 K40 D45 E46 D47K39-K43 PolarHBondContact O-N 3.19Å; K40-K43 PolarHBondContact O-N 2.89Å; K43-D45 VanDerWaalsContact C-N 3.29Å; K43-D45 PolarHBondContact O-N 3.05Å; K43-E46 PolarHBondContact O-N 3.26Å; K43-E46 VanDerWaalsContact O-N 3.15Å; K43-D47 WeakPolarHBondContact O-CB 3.34Å; K43-D47 PolarHBondContact O-N 3.47Å
44E63.5Low65.4Low113 Ų113130.6 Ų130.653%0.52859%0.594SS.*Hα-helixtrans-58.9-37.7177.6-72.1-178-16500113.4K40 K41 K48K40-E44 PolarHBondContact O-N 2.83Å; K41-E44 PolarHBondContact O-N 2.94Å; E44-K48 WeakPolarHBondContact O-CD 3.39Å; E44-K48 VanDerWaalsContact O-CE 3.25Å; E44-K48 WeakPolarHBondContact O-CE 3.4Å; E44-K48 WeakPolarHBondContact O-CG 3.34Å; E44-K48 PolarHBondContact O-N 3.23Å; E44-K48 VanDerWaalsContact O-N 3.07Å; E44-K48 IonicContact OE2-NZ 3.75Å
45D59.7Low63.4Low81 Ų81132.6 Ų132.643%0.43362%0.615SS.*Hα-helixtrans-79.1-25.8178-70.4-21000112.9K41 K42 K43 K48K41-D45 PolarHBondContact O-N 2.81Å; K41-D45 VanDerWaalsContact O-N 3.14Å; K42-D45 PolarHBondContact O-N 3.5Å; K43-D45 VanDerWaalsContact C-N 3.29Å; K43-D45 PolarHBondContact O-N 3.05Å; D45-K48 IonicContact OD1-NZ 2.75Å; D45-K48 PolarHBondContact OD1-NZ 2.97Å
46E59.8Low61.1Low102 Ų102130.9 Ų130.948%0.47763%0.628SS.*Hα-helixtrans-72.1-38.3167.3-75.7177.8168.900111.6K42 K43 K49 S50K42-E46 WeakPolarHBondContact CE-OE1 3.37Å; K42-E46 IonicContact NZ-OE1 2.65Å; K42-E46 PolarHBondContact NZ-OE1 2.89Å; K42-E46 PolarHBondContact O-N 3.34Å; K43-E46 PolarHBondContact O-N 3.26Å; K43-E46 VanDerWaalsContact O-N 3.15Å; E46-K49 CarbonylContact O-C 3.6Å; E46-K49 WeakPolarHBondContact O-CA 2.99Å; E46-K49 WeakPolarHBondContact O-CB 3.41Å; E46-K49 PolarHBondContact O-N 2.68Å; E46-S50 PolarHBondContact O-N 2.94Å
47D59.5Low59.3Low98 Ų98134 Ų13452%0.52465%0.647SS.*Hα-helixtrans-73.3-28.3178.5-80.4-38.1000114.1K43 K49 S50K43-D47 WeakPolarHBondContact O-CB 3.34Å; K43-D47 PolarHBondContact O-N 3.47Å; D47-K49 PolarHBondContact O-N 3.45Å; D47-S50 WeakPolarHBondContact CA-OG 3.5Å; D47-S50 PolarHBondContact O-OG 2.85Å
48K59.5Low57.5Low129 Ų129135.2 Ų135.256%0.56165%0.652SS**Hα-helixtrans-65.6-26.7165.9-70.1160.5-151.5158.50111.6E44 D45E44-K48 WeakPolarHBondContact O-CD 3.39Å; E44-K48 VanDerWaalsContact O-CE 3.25Å; E44-K48 WeakPolarHBondContact O-CE 3.4Å; E44-K48 WeakPolarHBondContact O-CG 3.34Å; E44-K48 PolarHBondContact O-N 3.23Å; E44-K48 VanDerWaalsContact O-N 3.07Å; E44-K48 IonicContact OE2-NZ 3.75Å; D45-K48 IonicContact OD1-NZ 2.75Å; D45-K48 PolarHBondContact OD1-NZ 2.97Å
49K54.5Low55.8Low177 Ų177136.7 Ų136.777%0.7766%0.66SS**Hα-helixtrans-91.4-28.2-178-149.2172.2-171.1174.50113E46 D47E46-K49 CarbonylContact O-C 3.6Å; E46-K49 WeakPolarHBondContact O-CA 2.99Å; E46-K49 WeakPolarHBondContact O-CB 3.41Å; E46-K49 PolarHBondContact O-N 2.68Å; D47-K49 PolarHBondContact O-N 3.45Å
50S50.8Low54.6Low73 Ų73135.2 Ų135.251%0.5167%0.667SS.*Hα-helixtrans-73.9-27-179.2710000113.5E46 D47 Q52E46-S50 PolarHBondContact O-N 2.94Å; D47-S50 WeakPolarHBondContact CA-OG 3.5Å; D47-S50 PolarHBondContact O-OG 2.85Å; S50-Q52 PolarHBondContact O-N 3.01Å
51K51.1Low53.3Low185 Ų185138.3 Ų138.380%0.80468%0.684SS**THydrogen-bonded Turntrans-63.12.3178.5-78.5-179.4176.9174.80116
52Q54.7Low51.9Low170 Ų170143.1 Ų143.179%0.79470%0.698SS**SBendtrans-120.259.5172.4-69.6-163.4-7.600114.2S50S50-Q52 PolarHBondContact O-N 3.01Å
53K48.1Very low50.4Low203 Ų203145.2 Ų145.288%0.88372%0.715SS**  trans-165.6154.9144.8-100137.4-162.4178.10112.1
54K41.7Very low49.5Very low205 Ų205149.9 Ų149.989%0.89173%0.729SS**  trans-90.9146.9-178.8-65.9177.4176.21790111.2
55P43.9Very low48.5Very low135 Ų135155.8 Ų155.888%0.87775%0.746SS**  trans-84161.3179.134.5-36.1000113.5
56G34.7Very low47.6Very low71 Ų71159.3 Ų159.373%0.73277%0.765SS**  trans-154.5113.7177.700000114.9
57L42.4Very low46.9Very low149 Ų149160.6 Ų160.678%0.7878%0.782SS**  trans20.7132.3154-86.561.9000122.5
58K44.8Very low45.7Very low162 Ų162162.5 Ų162.570%0.70480%0.797SS**  trans71165.1136.9-67.5177.1166.8-127.80117.1
59E42.7Very low44.5Very low150 Ų150160.8 Ų160.870%0.70181%0.807SS**  cis-156.3-178.5-14.7-116.3168.334.600107.7
60S50.6Low43.5Very low105 Ų105157.7 Ų157.773%0.73481%0.807SS**  cis-148.2-142.818.162.40000111.4
61Q47.1Very low42.4Very low183 Ų183158.4 Ų158.486%0.85583%0.826SS**  trans-132.8139.3173.7-62.4171.7-35.500110.8
62R44.5Very low41.3Very low244 Ų244153.2 Ų153.292%0.92183%0.825SS**  trans-168.3112.4153.5-114.5-179.5-171.3-155.73.3112.3
63N40.3Very low41.1Very low174 Ų174151.1 Ų151.193%0.9383%0.826SS**  trans-171.3110.8153.5-100.5-27.6000110
64R45.4Very low40.3Very low239 Ų239148 Ų14890%0.90282%0.819SS**  trans-163.4146.9171.7-145.1170.3-171.11634.3111.2
65R41.8Very low40Very low236 Ų236145.4 Ų145.489%0.89181%0.814SS**  trans8394.7172.5-53.5-176179.4-157.6-2.3117.1
66L42.5Very low39.5Very low156 Ų156145.5 Ų145.582%0.81781%0.812SS**  trans-79.1170132.7-63.9170.2000109.1
67P44.7Very low40Very low129 Ų129147.3 Ų147.384%0.83881%0.811SS**  -134.2167.5118.238.2-30000113.5
68V34.8Very low39.7Very low138 Ų138147.8 Ų147.884%0.83681%0.813SS**  trans-128.8129.9-178.9170.80000110.1
69A33.2Very low39.5Very low93 Ų93146.2 Ų146.277%0.76982%0.82SS**  trans-177.3158166.700000109
70S33.1Very low38.7Very low111 Ų111142.3 Ų142.378%0.77682%0.82SS**  cis-179.7127.8-36.751.10000108.2
71G29.2Very low37.9Very low88 Ų88148.4 Ų148.491%0.90783%0.826SS**  trans83.1155.4167.900000117.4
72G27.2Very low37.2Very low76 Ų76148.1 Ų148.178%0.78482%0.822SS**  trans-130.4-155.8164.100000109
73P50.9Low36.8Very low127 Ų127142.9 Ų142.983%0.82581%0.808SS**  cis-130.1-155.64.540.6-22000112.9
74D30.9Very low36.5Very low138 Ų138141.2 Ų141.274%0.73880%0.795SS**  trans114143.1139.6-137.10.8000120.8
75L34.7Very low35.7Very low150 Ų150136 Ų13679%0.78579%0.785SS**  trans71.3157.1166.1-55.1-177.1000123
76V35Very low35.1Very low137 Ų137130.6 Ų130.683%0.8378%0.782SS**  trans-149.1159.3-159.4158.20000106.4
77P45.2Very low35.2Very low109 Ų109128.9 Ų128.971%0.70878%0.78SS**  cis-136.6-175.316.824.33.3000118
78L35.8Very low35.3Very low158 Ų158127.6 Ų127.683%0.82777%0.772SS**  trans2.9158.3138.9-56.4177.3000120
79P40.8Very low35.2Very low129 Ų129129 Ų12984%0.83877%0.774SS**  cis-152.4-176.833.644-23.4000119.1
80G26Very low35.1Very low68 Ų68128 Ų12870%0.70177%0.766SS**  trans166.7123.3150.900000120.3
81R33Very low35.1Very low233 Ų233131.6 Ų131.688%0.87977%0.767SS**  trans76.2111.1156-59.9-175.6-179.7-142.9-1.7117
82K31.4Very low35.3Very low177 Ų177135.7 Ų135.777%0.7776%0.763SS**  80.9140.584-79-176173.6-1610112.2
83Q36.2Very low35.5Very low134 Ų134140.2 Ų140.263%0.62677%0.769SS**  cis-160.3152.117.3-122159.1-79.800110.5
84Q34.1Very low35Very low140 Ų140145.5 Ų145.565%0.65477%0.772SS**  trans61.3150.3142.2-71.6-179.4-96.800120.8
85D28.8Very low35.1Very low130 Ų130146.5 Ų146.570%0.69578%0.778SS**  cis-145.8167.3-0.7-94.7-36.9000110.5
86C29.1Very low35Very low121 Ų121143.9 Ų143.982%0.81877%0.772SS**  trans-132.9147.8164.6-69.20000109.1
87P44.4Very low34.9Very low120 Ų120147.3 Ų147.378%0.77977%0.77SS**  -153.8-166.7110.539.3-19000113
88P47.7Very low34.3Very low102 Ų102147 Ų14766%0.66278%0.777SS**  -138-173.6-63.441.8-25.8000114.5
89L31.4Very low34.2Very low168 Ų168146.5 Ų146.588%0.8877%0.771SS**  trans75.2154.2160.7-56.8163.7000118.7
90A32.1Very low34.1Very low72 Ų72144.6 Ų144.660%0.59577%0.766SS**  cis-172.8161.4-31.500000110.5
91K33Very low35.1Very low186 Ų186147 Ų14781%0.80977%0.769SS**  trans71.2126.9170.3-52.8-176.5-177-174.50114.2
92E34.3Very low35.2Very low175 Ų175147.4 Ų147.482%0.81877%0.77SS**  67.7108.254.1-63.1-174.7129.900113.2
93D30.6Very low35.3Very low171 Ų171147.2 Ų147.291%0.91478%0.778SS**  -154.9162.5112.7-107.4-37.8000110.8
94R40.5Very low35.4Very low237 Ų237150.3 Ų150.389%0.89479%0.789SS**  trans-122.8122.9177.8-79.4179.5170.8-180-1.5110.1
95D32.9Very low35.3Very low159 Ų159152 Ų15285%0.8580%0.797SS**  trans-165.9169.7156.3-109.8-30.5000112.2
96S31.7Very low35.5Very low96 Ų96157 Ų15767%0.67181%0.806SS**  -154.2146.9-84.356.20000110.8
97R33.8Very low35.5Very low208 Ų208155.3 Ų155.379%0.78581%0.81SS**  trans35.3116.6157-171.8-175.4-179.1-163.80.5120.2E99R97-E99 IonicContact CZ-OE1 3.19Å; R97-E99 IonicContact NE-OE1 2.83Å; R97-E99 PolarHBondContact NE-OE1 2.89Å; R97-E99 IonicContact NH2-OE1 2.7Å; R97-E99 PolarHBondContact NH2-OE1 2.66Å
98A31.6Very low34.8Very low103 Ų103153.2 Ų153.285%0.85181%0.81SS**  trans-143.1153.7145.700000110.5
99E34.3Very low34.1Very low148 Ų148153.6 Ų153.669%0.69282%0.821SS**  trans-113.5165.8-167.8-71.1169.4-148.300113.6R97R97-E99 IonicContact CZ-OE1 3.19Å; R97-E99 IonicContact NE-OE1 2.83Å; R97-E99 PolarHBondContact NE-OE1 2.89Å; R97-E99 IonicContact NH2-OE1 2.7Å; R97-E99 PolarHBondContact NH2-OE1 2.66Å
100A39.8Very low34.2Very low89 Ų89150.9 Ų150.974%0.73682%0.823SS**  trans-79.6173.4-178.700000112.8
101P45.8Very low34.4Very low119 Ų119151.4 Ų151.477%0.77384%0.835SS**  -154137.884.137.4-17.1000118.8
102R36.2Very low34.7Very low240 Ų240151.1 Ų151.191%0.90684%0.837SS**  trans36.1120.4133.4-59.9-179.8177.8174.6-0.7121.2
103N33.8Very low34.8Very low173 Ų173153.7 Ų153.793%0.92584%0.839SS**  trans-66.8159.7157.7-97.7-29.8000113.2
104K37.1Very low35Very low200 Ų200156.4 Ų156.487%0.8784%0.837SS**  trans-110.4142.3179.2-58.9174.9-178.9175.90112
105Q32Very low34.7Very low176 Ų176153.9 Ų153.982%0.82284%0.84SS**  trans-161.2152153.3-136.6176.510.500115.4
106R34.1Very low34.7Very low234 Ų234150.6 Ų150.688%0.88383%0.829SS**  trans86.3148.1163.9-58.3-172.5175.4-142.4-2.5119.2
107G28.1Very low34.8Very low86 Ų86153.8 Ų153.889%0.88783%0.834SS**  trans94.1129.1-177.500000113.7
108G30.7Very low34.8Very low76 Ų76150.9 Ų150.978%0.78484%0.838SS**  cis159.5111.4-10.800000113.7
109A33.3Very low35.2Very low109 Ų109152.1 Ų152.190%0.90183%0.831SS**  trans43.8116.8161.300000121.5
110A32.1Very low35.9Very low112 Ų112150.8 Ų150.893%0.92684%0.835SS**  trans-174.1157.3143.200000111.9
111G35.7Very low35.7Very low82 Ų82155.8 Ų155.885%0.84584%0.843SS**  trans123.395.2157.100000117.6
112Q40.2Very low35.4Very low180 Ų180158.3 Ų158.384%0.84185%0.845SS**  trans-96.3140.2154.2-68.5-175.30.700109.6
113R36.4Very low35.3Very low230 Ų230156.2 Ų156.287%0.86884%0.842SS**  165.3130.7121.5-89163.9-173.2-162.33113.3
114R35.7Very low35.5Very low228 Ų228152.7 Ų152.786%0.8683%0.831SS**  trans6.8133.6152.8-55.9-179.1179-144.9-0.8120
115L33.8Very low35.9Very low183 Ų183149.5 Ų149.596%0.95883%0.829SS**  -130.9164.9121.1-94110.4000109.3
116S32Very low36.5Very low90 Ų90146.7 Ų146.763%0.62983%0.825SS**  trans-150.8166.9-170.351.20000111.7
117Q33.5Very low37.1Very low164 Ų164145 Ų14577%0.76682%0.824SS**  trans71.2109.7175.9-55.6175.3-72.300116
118V34.6Very low37.8Very low146 Ų146146.7 Ų146.789%0.88582%0.82SS**  -139.8131.999.7-175.10000106.9
119D40.4Very low38.1Very low130 Ų130148.2 Ų148.270%0.69582%0.819SS**PPolyproline II helixtrans-92.9153.1179-70.8-68.3000111.7
120P47.9Very low38.2Very low120 Ų120152.3 Ų152.378%0.77981%0.812SS**PPolyproline II helixtrans-77.2140.6-174.531.2-35.3000112.8
121Q35.6Very low38.3Very low193 Ų193152.6 Ų152.690%0.90280%0.802SS**PPolyproline II helixtrans-80.3143.2179.9-169.3164.9-10.600112.8
122E40.3Very low38.3Very low172 Ų172156.5 Ų156.580%0.80480%0.799SS**PPolyproline II helixtrans-72146.8-170.6-52.3166.4147.600113.5
123F35Very low38.1Very low196 Ų196152.5 Ų152.586%0.8680%0.796SS**  trans-151.998.1149.2-117.1-75.8000113.7
124S36.2Very low38.3Very low99 Ų99146.2 Ų146.269%0.69279%0.788SS**  trans35.9113.2141.8-50.80000121.4
125V45.9Very low38.6Very low134 Ų134142.3 Ų142.381%0.81278%0.784SS**  trans-109.7118.8153.2176.20000109.7
126P44.4Very low39Very low116 Ų116142.9 Ų142.975%0.75378%0.779SS**  trans-94.5109.8166.933-27.7000111.1
127K46.5Very low39.6Very low198 Ų198144.3 Ų144.386%0.86179%0.789SS**PPolyproline II helixtrans-94.7127155.2-80.5-178.8175.7177.10108.7
128P43.3Very low39.9Very low122 Ų122141.6 Ų141.679%0.79279%0.788SS**PPolyproline II helixtrans-102136.1153.633.6-26.8000110.4
129S37.4Very low40.5Very low109 Ų109147.1 Ų147.176%0.76279%0.793SS**PPolyproline II helixtrans-80.7143.4166.350.10000110.8
130Y34.3Very low40.3Very low195 Ų195144.5 Ų144.577%0.76580%0.797SS**  trans-126.3140.8147.3-167-105.2000108.9E132Y130-E132 HydrophobicContact CE1-CB 4.1Å; Y130-E132 PolarHBondContact OH-OE2 2.89Å
131T35.5Very low40.8Very low117 Ų117141.8 Ų141.872%0.71879%0.79SS**  trans-128.2113-174.649.10000109.5
132E34.9Very low41.2Very low165 Ų165142.3 Ų142.377%0.77179%0.79SS**  trans-146169.3161.4-136.4157.4-156.900109.9Y130Y130-E132 HydrophobicContact CE1-CB 4.1Å; Y130-E132 PolarHBondContact OH-OE2 2.89Å
133A37.3Very low41.3Very low95 Ų95141.4 Ų141.479%0.78580%0.797SS**  trans-99.4-177.1-147.300000116.1
134S40.4Very low41.7Very low99 Ų99135.9 Ų135.969%0.69280%0.795SS**  trans72.4138.3-175.1-92.70000115.5
135D42.4Very low42.2Very low146 Ų146141.6 Ų141.678%0.78180%0.801SS**  cis-134.51727.2-88.3-47.3000114.7
136F41.6Very low42.5Very low195 Ų195146.1 Ų146.186%0.85580%0.804SS**  trans-83.8136-169.7-70.7-108.4000114.6
137S43.5Very low42.4Very low119 Ų119144.2 Ų144.283%0.83281%0.805SS**  trans-151.473.4148.3-159.80000113.4
138S39.8Very low42.2Very low108 Ų108140 Ų14076%0.75581%0.807SS**  trans2793.6145.6-56.20000120.3G140S138-G140 PolarHBondContact O-N 3.29Å
139R48Very low42.7Very low262 Ų262146.3 Ų146.399%0.98982%0.815SS**  trans-82.986.4145-86.4-170.4171.9-169-1109.8
140G36.1Very low43.2Very low75 Ų75145.2 Ų145.277%0.77382%0.821SS**  trans-114.398.7177.800000112.5S138S138-G140 PolarHBondContact O-N 3.29Å
141G58.1Low43.7Very low62 Ų62139.8 Ų139.864%0.63982%0.824SS**  trans-90159.3166.200000111.8
142F43.8Very low44.6Very low204 Ų204138 Ų13890%0.89583%0.829SS**  trans71.7109.1175.7-49.5-77.7000117.5
143T43.6Very low45.2Very low154 Ų154133.1 Ų133.195%0.94582%0.823SS**  -163.8151.6101.819.50000110.1
144G42.5Very low46.1Very low80 Ų80140.3 Ų140.383%0.82583%0.83SS**  trans126.690.5-17400000112.5
145R47.8Very low46.4Very low219 Ų219141.7 Ų141.783%0.82683%0.83SS**  trans-95.2146.6178.4-74.3-163.4-175.4-78.111111.9
146R50.9Low47Very low229 Ų229139.2 Ų139.286%0.86482%0.824SS**  trans12.7123.4148.2-49.7179.2-168.6168.61.6117.2
147G42.3Very low47.6Very low76 Ų76134.8 Ų134.878%0.78481%0.809SS**  trans-164.9124.5162.800000114.4
148A43.8Very low48.2Very low108 Ų108137 Ų13789%0.89381%0.812SS**  trans60149.3163.300000120.7
149R53.8Low49Very low255 Ų255138.7 Ų138.796%0.96281%0.806SS**  trans-87.6139.9163.7-64.7171.5167.9102.6-7.1108.2
150G48.1Very low49.2Very low87 Ų87130.8 Ų130.890%0.89778%0.776SS**  trans166.176.4173.100000113.8
151G44Very low50.1Low80 Ų80136.4 Ų136.483%0.82579%0.788SS**  trans167.872.1-17800000112.9G153G151-G153 VanDerWaalsContact C-N 3.32Å; G151-G153 PolarHBondContact O-N 2.98Å
152G54.5Low50.4Low80 Ų80144.2 Ų144.283%0.82580%0.798SS**  trans-77.472.5-179.300000113.4R154G152-R154 PolarHBondContact O-N 3.39Å
153G46.5Very low51.2Low63 Ų63137.4 Ų137.465%0.64979%0.786SS**  trans-68.8108.9170.500000111.2G151 N155G151-G153 VanDerWaalsContact C-N 3.32Å; G151-G153 PolarHBondContact O-N 2.98Å; G153-N155 VanDerWaalsContact C-N 3.27Å; G153-N155 PolarHBondContact O-N 2.9Å
154R57.3Low52.1Low246 Ų246132.9 Ų132.993%0.92875%0.753SS**  trans-81.566179.6-64.7-177-177.7175.30.4111.6G152 S156G152-R154 PolarHBondContact O-N 3.39Å; R154-S156 PolarHBondContact O-N 3.12Å
155N46.6Very low53.2Low128 Ų128137.4 Ų137.468%0.68475%0.745SS**  trans-88.3106.4172.9-81.286.9000110.5G153 D157G153-N155 VanDerWaalsContact C-N 3.27Å; G153-N155 PolarHBondContact O-N 2.9Å; N155-D157 VanDerWaalsContact CB-OD2 3.3Å; N155-D157 WeakPolarHBondContact CB-OD2 3.4Å; N155-D157 PolarHBondContact ND2-OD2 2.77Å; N155-D157 PolarHBondContact O-N 3.2Å
156S55.4Low53.9Low93 Ų93131.3 Ų131.365%0.6573%0.726SS**  trans-68.69.7179.838.80000114.6R154 N158R154-S156 PolarHBondContact O-N 3.12Å; S156-N158 PolarHBondContact O-N 3.22Å
157D52.9Low54.4Low103 Ų103128 Ų12855%0.55171%0.714SS**  trans-99.814.3-146.7-44.5-39.8000113.2N155 F159N155-D157 VanDerWaalsContact CB-OD2 3.3Å; N155-D157 WeakPolarHBondContact CB-OD2 3.4Å; N155-D157 PolarHBondContact ND2-OD2 2.77Å; N155-D157 PolarHBondContact O-N 3.2Å; D157-F159 PolarHBondContact O-N 3.4Å
158N57.3Low55.8Low165 Ų165128.9 Ų128.988%0.88270%0.701SS**  trans-73.927.5157.3-72.6-42.3000111.8S156 Y160S156-N158 PolarHBondContact O-N 3.22Å; N158-Y160 VanDerWaalsContact C-N 3.29Å; N158-Y160 PolarHBondContact O-N 3.2Å
159F56.8Low57.5Low144 Ų144133 Ų13363%0.63269%0.694SS**  trans-8169.4-172.4-155.8-98.7000110.9D157D157-F159 PolarHBondContact O-N 3.4Å
160Y51.1Low58.2Low96 Ų96126.6 Ų126.638%0.37667%0.674SS.*  trans75.277160.8-41.6-72.2000118.7N158 R162 K164N158-Y160 VanDerWaalsContact C-N 3.29Å; N158-Y160 PolarHBondContact O-N 3.2Å; Y160-R162 PolarHBondContact O-N 3.45Å; Y160-K164 HydrophobicContact CD1-CD 3.92Å; Y160-K164 HydrophobicContact CD2-CD 3.4Å; Y160-K164 HydrophobicContact CD2-CG 3.46Å; Y160-K164 VanDerWaalsContact CD2-CG 3.46Å; Y160-K164 HydrophobicContact CE1-CD 3.92Å; Y160-K164 HydrophobicContact CE2-CD 3.38Å; Y160-K164 HydrophobicContact CE2-CG 3.85Å; Y160-K164 HydrophobicContact CG-CD 3.68Å; Y160-K164 HydrophobicContact CG-CG 3.89Å; Y160-K164 VanDerWaalsContact CZ-CE 3.46Å; Y160-K164 PolarHBondContact OH-NZ 3.43Å
161L56.1Low59Low192 Ų192128 Ų128100%1.00566%0.662SS**SBendtrans-64.35.4156.5-67.3172.1000114.3
162R62.7Low60.2Low226 Ų226128.2 Ų128.285%0.85366%0.663SS**SBendtrans-134.189.2169176.3-178.3-73-104.2-1.1106.1Y160Y160-R162 PolarHBondContact O-N 3.45Å
163G61.4Low60.9Low62 Ų62128.7 Ų128.764%0.63965%0.65SS**  trans-52149-160.800000116.3R165G163-R165 PolarHBondContact O-N 3.38Å
164K62.1Low61.8Low58 Ų58129.2 Ų129.225%0.25266%0.655SS.*  trans-6189.5-172.9-71.5-67.4-112.2-173.90113.5Y160 E166Y160-K164 HydrophobicContact CD1-CD 3.92Å; Y160-K164 HydrophobicContact CD2-CD 3.4Å; Y160-K164 HydrophobicContact CD2-CG 3.46Å; Y160-K164 VanDerWaalsContact CD2-CG 3.46Å; Y160-K164 HydrophobicContact CE1-CD 3.92Å; Y160-K164 HydrophobicContact CE2-CD 3.38Å; Y160-K164 HydrophobicContact CE2-CG 3.85Å; Y160-K164 HydrophobicContact CG-CD 3.68Å; Y160-K164 HydrophobicContact CG-CG 3.89Å; Y160-K164 VanDerWaalsContact CZ-CE 3.46Å; Y160-K164 PolarHBondContact OH-NZ 3.43Å; K164-E166 VanDerWaalsContact C-N 3.28Å; K164-E166 HydrophobicContact CB-CG 4.41Å; K164-E166 VanDerWaalsContact CD-CD 3.49Å; K164-E166 HydrophobicContact CD-CG 3.57Å; K164-E166 WeakPolarHBondContact CD-OE1 3.2Å; K164-E166 IonicContact NZ-OE1 2.75Å; K164-E166 PolarHBondContact NZ-OE1 3.18Å; K164-E166 IonicContact NZ-OE2 3.32Å; K164-E166 PolarHBondContact NZ-OE2 3.34Å
165R66.9Low62.3Low175 Ų175121.2 Ų121.266%0.6663%0.63SS**  trans-97.329.7165.3-153.7-172.6-77-93.64.4112.8G163 D168G163-R165 PolarHBondContact O-N 3.38Å; R165-D168 WeakPolarHBondContact CD-OD2 3.28Å; R165-D168 HydrophobicContact CG-CB 3.69Å; R165-D168 WeakPolarHBondContact CG-OD2 3.44Å; R165-D168 IonicContact NH1-OD2 3.11Å; R165-D168 PolarHBondContact NH1-OD2 3.19Å
166E62Low63.3Low91 Ų91117.9 Ų117.943%0.42562%0.617SS.*SBendtrans-122.218.4-177.750.5172.1133.600111K164 H170K164-E166 VanDerWaalsContact C-N 3.28Å; K164-E166 HydrophobicContact CB-CG 4.41Å; K164-E166 VanDerWaalsContact CD-CD 3.49Å; K164-E166 HydrophobicContact CD-CG 3.57Å; K164-E166 WeakPolarHBondContact CD-OE1 3.2Å; K164-E166 IonicContact NZ-OE1 2.75Å; K164-E166 PolarHBondContact NZ-OE1 3.18Å; K164-E166 IonicContact NZ-OE2 3.32Å; K164-E166 PolarHBondContact NZ-OE2 3.34Å; E166-H170 PolarHBondContact O-CD2 2.59Å; E166-H170 PolarHBondContact O-NE2 2.81Å
167Y61.9Low63.8Low159 Ų159118.4 Ų118.462%0.62462%0.621SS**SBendtrans-123.3-20.7155.7-68.3-66.1000111.6R169 H170Y167-R169 PolarHBondContact O-N 2.88Å; Y167-H170 HydrophobicContact CD1-CB 4.32Å; Y167-H170 PolarHBondContact O-N 3.28Å
168D71.6Confident64.3Low96 Ų96119.1 Ų119.151%0.51362%0.621SS.*THydrogen-bonded Turntrans-52.6-2.5168.4-167.948.2000115.7R165R165-D168 WeakPolarHBondContact CD-OD2 3.28Å; R165-D168 HydrophobicContact CG-CB 3.69Å; R165-D168 WeakPolarHBondContact CG-OD2 3.44Å; R165-D168 IonicContact NH1-OD2 3.11Å; R165-D168 PolarHBondContact NH1-OD2 3.19Å
169R77.9Confident64.7Low195 Ų195117 Ų11774%0.73661%0.606SS**THydrogen-bonded Turntrans-141.213.1172.9-68.7-167.8-175.672.210.3113.5Y167Y167-R169 PolarHBondContact O-N 2.88Å
170H68.6Low64.9Low120 Ų120114.5 Ų114.556%0.55659%0.594SS**SBendtrans-107.3118.4177.2-72-98.2000108.1E166 Y167 G172E166-H170 PolarHBondContact O-CD2 2.59Å; E166-H170 PolarHBondContact O-NE2 2.81Å; Y167-H170 HydrophobicContact CD1-CB 4.32Å; Y167-H170 PolarHBondContact O-N 3.28Å; H170-G172 VanDerWaalsContact C-N 3.29Å; H170-G172 PolarHBondContact O-N 3.3Å
171D65.7Low65.6Low117 Ų117114 Ų11463%0.62659%0.592SS**  trans-65.789174.8-79.2-4.6000109.9T173 G174 K180D171-T173 PolarHBondContact O-N 3.4Å; D171-G174 PolarHBondContact O-N 3.36Å; D171-K180 VanDerWaalsContact CG-NZ 3.27Å; D171-K180 IonicContact OD2-NZ 3.02Å; D171-K180 PolarHBondContact OD2-NZ 2.81Å
172G68.6Low65.7Low83 Ų83107.7 Ų107.786%0.85657%0.573SS**THydrogen-bonded Turntrans-64.46.8175.500000114.7H170 G174H170-G172 VanDerWaalsContact C-N 3.29Å; H170-G172 PolarHBondContact O-N 3.3Å; G172-G174 VanDerWaalsContact C-N 3.35Å
173T68.5Low65.8Low90 Ų9099 Ų9955%0.55255%0.554SS**THydrogen-bonded Turntrans-79.9-11.9176.934.20000113.4D171 I175 K180D171-T173 PolarHBondContact O-N 3.4Å; T173-I175 PolarHBondContact O-N 2.97Å; T173-K180 PolarHBondContact OG1-NZ 2.78Å
174G67.1Low65.7Low74 Ų74103.1 Ų103.176%0.76355%0.55SS**  trans75.2-34.717300000115.5D171 G172D171-G174 PolarHBondContact O-N 3.36Å; G172-G174 VanDerWaalsContact C-N 3.35Å
175I67.4Low65.7Low78 Ų78102 Ų10240%0.456%0.555SS.*  trans-59.9135.1172.644.1166.7000112.2T173 E179 K180T173-I175 PolarHBondContact O-N 2.97Å; I175-E179 VanDerWaalsContact CA-OE2 3.3Å; I175-E179 WeakPolarHBondContact CA-OE2 3.38Å; I175-E179 HydrophobicContact CB-CG 4.39Å; I175-E179 HydrophobicContact CG2-CG 4.33Å; I175-K180 HydrophobicContact CD1-CD 4.34Å; I175-K180 VanDerWaalsContact CD1-CE 3.5Å; I175-K180 HydrophobicContact CD1-CG 3.88Å; I175-K180 VanDerWaalsContact CG1-CE 3.46Å; I175-K180 HydrophobicContact CG1-CG 4.31Å; I175-K180 WeakPolarHBondContact O-CE 3.16Å
176S68.1Low65.2Low58 Ų58100.2 Ų100.241%0.40657%0.566SS.*  trans-74.2163-173.272.90000113.1E178 E179 K180S176-E178 PolarHBondContact O-N 3.24Å; S176-E179 PolarHBondContact N-OE2 2.79Å; S176-E179 PolarHBondContact O-N 3.38Å; S176-E179 VanDerWaalsContact OG-CB 3.24Å; S176-E179 WeakPolarHBondContact OG-CB 3.34Å; S176-E179 PolarHBondContact OG-N 3.14Å; S176-E179 VanDerWaalsContact OG-N 3.12Å; S176-K180 WeakPolarHBondContact O-CB 3.21Å; S176-K180 WeakPolarHBondContact O-CG 3.46Å; S176-K180 PolarHBondContact O-N 2.94Å
177S65.6Low65Low104 Ų104107.2 Ų107.273%0.72759%0.588SS**THydrogen-bonded Turntrans-65.1-22.8175.551.20000113.7R181S177-R181 WeakPolarHBondContact O-CB 3.25Å; S177-R181 PolarHBondContact O-N 2.83Å
178E62Low65.2Low118 Ų118103.5 Ų103.555%0.55158%0.58SS**THydrogen-bonded Turntrans-81.1-39.5175.4-15659-136.100111.3S176 R181 G182S176-E178 PolarHBondContact O-N 3.24Å; E178-R181 CarbonylContact O-C 3.5Å; E178-R181 VanDerWaalsContact O-CA 3.29Å; E178-R181 WeakPolarHBondContact O-CA 3.32Å; E178-R181 VanDerWaalsContact O-CB 3.23Å; E178-R181 WeakPolarHBondContact O-CB 3.36Å; E178-R181 PolarHBondContact O-N 3.19Å; E178-G182 PolarHBondContact O-N 3.36Å; E178-G182 VanDerWaalsContact O-N 3.1Å
179E66.6Low64.9Low122 Ų122111.2 Ų111.257%0.5760%0.602SS**G310 helixtrans-64.9-40.2173.8-172.2174.9-165.900111.4I175 S176 R181 G182I175-E179 VanDerWaalsContact CA-OE2 3.3Å; I175-E179 WeakPolarHBondContact CA-OE2 3.38Å; I175-E179 HydrophobicContact CB-CG 4.39Å; I175-E179 HydrophobicContact CG2-CG 4.33Å; S176-E179 PolarHBondContact N-OE2 2.79Å; S176-E179 PolarHBondContact O-N 3.38Å; S176-E179 VanDerWaalsContact OG-CB 3.24Å; S176-E179 WeakPolarHBondContact OG-CB 3.34Å; S176-E179 PolarHBondContact OG-N 3.14Å; S176-E179 VanDerWaalsContact OG-N 3.12Å; E179-R181 PolarHBondContact O-N 2.92Å; E179-G182 PolarHBondContact O-N 3.46Å; E179-G182 VanDerWaalsContact O-N 3.1Å
180K62.1Low63.9Low90 Ų90104.7 Ų104.739%0.39160%0.595SS.*G310 helixtrans-64.2-15.7167.5-69.8-179.4-172.2-167.70113.9D171 T173 I175 S176D171-K180 VanDerWaalsContact CG-NZ 3.27Å; D171-K180 IonicContact OD2-NZ 3.02Å; D171-K180 PolarHBondContact OD2-NZ 2.81Å; T173-K180 PolarHBondContact OG1-NZ 2.78Å; I175-K180 HydrophobicContact CD1-CD 4.34Å; I175-K180 VanDerWaalsContact CD1-CE 3.5Å; I175-K180 HydrophobicContact CD1-CG 3.88Å; I175-K180 VanDerWaalsContact CG1-CE 3.46Å; I175-K180 HydrophobicContact CG1-CG 4.31Å; I175-K180 WeakPolarHBondContact O-CE 3.16Å; S176-K180 WeakPolarHBondContact O-CB 3.21Å; S176-K180 WeakPolarHBondContact O-CG 3.46Å; S176-K180 PolarHBondContact O-N 2.94Å
181R65.1Low63.2Low87 Ų87100.3 Ų100.333%0.32858%0.578SS.*G310 helixtrans-95.1-6.6175.7-165.6175.3-171.779.3-4.4112.6S177 E178 E179 G183 S191S177-R181 WeakPolarHBondContact O-CB 3.25Å; S177-R181 PolarHBondContact O-N 2.83Å; E178-R181 CarbonylContact O-C 3.5Å; E178-R181 VanDerWaalsContact O-CA 3.29Å; E178-R181 WeakPolarHBondContact O-CA 3.32Å; E178-R181 VanDerWaalsContact O-CB 3.23Å; E178-R181 WeakPolarHBondContact O-CB 3.36Å; E178-R181 PolarHBondContact O-N 3.19Å; E179-R181 PolarHBondContact O-N 2.92Å; R181-G183 PolarHBondContact O-N 2.99Å; R181-S191 PolarHBondContact NE-OG 3.35Å; R181-S191 PolarHBondContact NH2-OG 3.34Å
182G58.8Low62.7Low59 Ų5999 Ų9961%0.60858%0.584SS**  trans-62.1-1.4-179.600000116.3E178 E179 R184E178-G182 PolarHBondContact O-N 3.36Å; E178-G182 VanDerWaalsContact O-N 3.1Å; E179-G182 PolarHBondContact O-N 3.46Å; E179-G182 VanDerWaalsContact O-N 3.1Å; G182-R184 VanDerWaalsContact C-N 3.29Å; G182-R184 PolarHBondContact O-N 2.88Å
183G63.6Low62.3Low43 Ų43100.3 Ų100.344%0.44358%0.575SS.*  trans-7274.8170.700000112.8R181 G185 N188R181-G183 PolarHBondContact O-N 2.99Å; G183-G185 PolarHBondContact O-N 2.62Å; G183-N188 WeakPolarHBondContact CA-ND2 3.48Å; G183-N188 WeakPolarHBondContact O-CB 3.45Å; G183-N188 PolarHBondContact O-ND2 2.98Å
184R59.2Low61.7Low149 Ų14998.5 Ų98.556%0.56256%0.56SS**  trans-84.9102.5165.9-63.5-165.2-171.4-75.4-10.5110.3G182 E194G182-R184 VanDerWaalsContact C-N 3.29Å; G182-R184 PolarHBondContact O-N 2.88Å; R184-E194 IonicContact CZ-OE1 2.81Å; R184-E194 IonicContact CZ-OE2 2.68Å; R184-E194 IonicContact NE-OE1 3.2Å; R184-E194 IonicContact NH1-OE1 2.62Å; R184-E194 PolarHBondContact NH1-OE1 3.36Å; R184-E194 VanDerWaalsContact NH1-OE1 3.08Å; R184-E194 IonicContact NH1-OE2 2.59Å; R184-E194 PolarHBondContact NH1-OE2 2.99Å; R184-E194 IonicContact NH2-OE1 3.85Å; R184-E194 PolarHBondContact NH2-OE1 2.85Å; R184-E194 IonicContact NH2-OE2 2.66Å; R184-E194 PolarHBondContact NH2-OE2 3.35Å
185G62.6Low61.2Low34 Ų3498.9 Ų98.935%0.35156%0.556SS.*SBendtrans-173.1156.9178.300000110.9G183 W187 N188G183-G185 PolarHBondContact O-N 2.62Å; G185-W187 PolarHBondContact O-N 3.2Å; G185-N188 PolarHBondContact N-ND2 2.89Å; G185-N188 WeakPolarHBondContact O-CB 3.41Å; G185-N188 PolarHBondContact O-N 3.04Å
186P57Low60.4Low138 Ų13899.3 Ų99.390%0.89656%0.564SS**THydrogen-bonded Turntrans-64.6-12.5-165.6-24.535.5000116.3
187W56.4Low59.8Low237 Ų23798.8 Ų98.890%0.89856%0.56SS**THydrogen-bonded Turntrans-101-1.1179.8-78.362.5000113.6G185G185-W187 PolarHBondContact O-N 3.2Å
188N66.9Low59.3Low82 Ų8299.8 Ų99.844%0.43955%0.554SS.*SBendtrans-98.8133.7-170.3-55.6-23.6000110.4G183 G185 G190G183-N188 WeakPolarHBondContact CA-ND2 3.48Å; G183-N188 WeakPolarHBondContact O-CB 3.45Å; G183-N188 PolarHBondContact O-ND2 2.98Å; G185-N188 PolarHBondContact N-ND2 2.89Å; G185-N188 WeakPolarHBondContact O-CB 3.41Å; G185-N188 PolarHBondContact O-N 3.04Å; N188-G190 PolarHBondContact O-N 3Å
189W65.3Low58.8Low257 Ų257101.5 Ų101.597%0.97356%0.563SS**  trans-75.290.3-167.6-67.125.2000111.2
190G56.3Low58.1Low59 Ų59102.5 Ų102.561%0.60857%0.57SS**  trans-69.8156.3-154.900000118.7N188 A192N188-G190 PolarHBondContact O-N 3Å; G190-A192 VanDerWaalsContact C-N 3.3Å; G190-A192 PolarHBondContact O-N 3.08Å
191S54.6Low57.6Low27 Ų27105.8 Ų105.819%0.18959%0.586CS.*  74.96.390.4-82.10000118.8R181 V193 E194R181-S191 PolarHBondContact NE-OG 3.35Å; R181-S191 PolarHBondContact NH2-OG 3.34Å; S191-V193 PolarHBondContact O-N 3.31Å; S191-E194 WeakPolarHBondContact CB-OE2 3.03Å; S191-E194 PolarHBondContact O-N 3.35Å; S191-E194 PolarHBondContact OG-OE2 3.02Å
192A55.9Low56.6Low91 Ų91107.1 Ų107.175%0.75260%0.604SS**THydrogen-bonded Turntrans-57.55.2-179.200000117.7G190G190-A192 VanDerWaalsContact C-N 3.3Å; G190-A192 PolarHBondContact O-N 3.08Å
193V58.3Low55.7Low110 Ų110110.7 Ų110.767%0.66761%0.614SS**THydrogen-bonded Turntrans-111.8-25179.5179.50000112.9S191S191-V193 PolarHBondContact O-N 3.31Å
194E55.8Low54.9Low52 Ų52113 Ų11324%0.24362%0.624CS.*THydrogen-bonded Turntrans-98.8-14.4-172.1-75.5146128.300114.8R184 S191 P196 S197 E198R184-E194 IonicContact CZ-OE1 2.81Å; R184-E194 IonicContact CZ-OE2 2.68Å; R184-E194 IonicContact NE-OE1 3.2Å; R184-E194 IonicContact NH1-OE1 2.62Å; R184-E194 PolarHBondContact NH1-OE1 3.36Å; R184-E194 VanDerWaalsContact NH1-OE1 3.08Å; R184-E194 IonicContact NH1-OE2 2.59Å; R184-E194 PolarHBondContact NH1-OE2 2.99Å; R184-E194 IonicContact NH2-OE1 3.85Å; R184-E194 PolarHBondContact NH2-OE1 2.85Å; R184-E194 IonicContact NH2-OE2 2.66Å; R184-E194 PolarHBondContact NH2-OE2 3.35Å; S191-E194 WeakPolarHBondContact CB-OE2 3.03Å; S191-E194 PolarHBondContact O-N 3.35Å; S191-E194 PolarHBondContact OG-OE2 3.02Å; E194-P196 VanDerWaalsContact C-N 3.27Å; E194-P196 VanDerWaalsContact O-N 3.08Å; E194-S197 PolarHBondContact O-N 3.14Å; E194-S197 VanDerWaalsContact O-N 3.12Å; E194-S197 PolarHBondContact O-OG 2.75Å; E194-E198 PolarHBondContact O-N 3.3Å
195A56.6Low53.7Low82 Ų82113.7 Ų113.768%0.67864%0.638SS**THydrogen-bonded Turntrans-50.6-30.7179.900000116.3
196P52.4Low52.2Low87 Ų87117.1 Ų117.157%0.56566%0.663SS**THydrogen-bonded Turntrans-97.8-13.4177.736.9-33.6000115.2E194E194-P196 VanDerWaalsContact C-N 3.27Å; E194-P196 VanDerWaalsContact O-N 3.08Å
197S54.7Low50.9Low47 Ų47113.2 Ų113.233%0.32965%0.649SS.*THydrogen-bonded Turntrans-104.7-43.5-171.354.20000113.5E194 M199 M200 E201E194-S197 PolarHBondContact O-N 3.14Å; E194-S197 VanDerWaalsContact O-N 3.12Å; E194-S197 PolarHBondContact O-OG 2.75Å; S197-M199 PolarHBondContact O-N 3.05Å; S197-M199 VanDerWaalsContact O-N 3.13Å; S197-M200 PolarHBondContact O-N 3.18Å; S197-M200 VanDerWaalsContact O-N 3.07Å; S197-E201 PolarHBondContact O-N 3.07Å
198E54.8Low49.6Very low125 Ų125108.7 Ų108.758%0.58465%0.647SS**THydrogen-bonded Turntrans-64.9-22.3-174.7-164.9169.3-163.900112.5E194 M200E194-E198 PolarHBondContact O-N 3.3Å; E198-M200 PolarHBondContact O-N 3.39Å
199M52.3Low48Very low154 Ų154114.1 Ų114.176%0.75967%0.667SS**THydrogen-bonded Turntrans-79.7-5.6176.571.7175.2-174.600115.3S197S197-M199 PolarHBondContact O-N 3.05Å; S197-M199 VanDerWaalsContact O-N 3.13Å
200M51.6Low46.7Very low142 Ų142105.8 Ų105.870%0.765%0.653SS**THydrogen-bonded Turntrans-128.4-21.2-172.6-164.1164.3-177.400115.3S197 E198S197-M200 PolarHBondContact O-N 3.18Å; S197-M200 VanDerWaalsContact O-N 3.07Å; E198-M200 PolarHBondContact O-N 3.39Å
201E51.3Low45.5Very low159 Ų159111.8 Ų111.874%0.74367%0.665SS**SBendtrans-93.5-5-176.8-65.8-173136.900114.8S197S197-E201 PolarHBondContact O-N 3.07Å
202V45.2Very low44.4Very low116 Ų116119.2 Ų119.270%0.70370%0.697SS**SBendtrans-84.3-15.8-172.4177.80000114.2
203T39.9Very low43.9Very low133 Ų133120.3 Ų120.382%0.81670%0.697SS**SBendtrans-128.918.8-172.454.90000115.9
204S46.6Very low42.7Very low93 Ų93123.8 Ų123.865%0.6571%0.706SS**SBendtrans-156.766.7174.965.50000116.1
205D32.7Very low41.3Very low162 Ų162125.9 Ų125.987%0.86673%0.726SS**  -175.1121.2118.5-131.1-43.9000113.1
206A32.3Very low39.7Very low106 Ų106127.8 Ų127.888%0.87673%0.729SS**  trans-167.580.5170.400000110.5
207G29.3Very low38.7Very low57 Ų57131.3 Ų131.359%0.58874%0.743SS**  trans-79.6143.9-167.100000118.1
208T29.4Very low37.7Very low141 Ų141137 Ų13787%0.86576%0.764SS**  trans52.3100133.657.30000120.8
209K32Very low37Very low196 Ų196139.6 Ų139.685%0.85278%0.776SS**  trans-159.4130.3135.8-98.7173.2178.9-172.30106.2
210A39.1Very low36.1Very low83 Ų83141.3 Ų141.369%0.68678%0.782SS**  cis80.4136.440.200000113.3
211E31.1Very low35.5Very low184 Ų184141.4 Ų141.486%0.8679%0.786SS**  trans71.3139.9-174.1-57.2161.8175.300113.9
212E31.5Very low35.3Very low183 Ų183139.6 Ų139.686%0.85579%0.787SS**  cis-154161.7-13.5-117.5-164.8142.900110.2
213P45.8Very low34.5Very low115 Ų115140.8 Ų140.875%0.74780%0.795SS**  trans-106.7137.8-172.837.6-30.3000115.9
214Q31.9Very low34.5Very low183 Ų183145.9 Ų145.986%0.85580%0.8SS**  trans-144.1113169.4-75.2-164.6-36.800108.6
215S26.3Very low33.8Very low95 Ų95146.1 Ų146.166%0.66481%0.807SS**  69.8133.67974.40000113.6
216T23.9Very low34.7Very low123 Ų123142.7 Ų142.776%0.75579%0.794SS**  cis-168.91481.811.30000108.7
217L30.7Very low35.2Very low161 Ų161143.7 Ų143.784%0.84379%0.785SS**  trans147.5111.1166.6-88159.7000105.2
218E34.9Very low36.1Very low165 Ų165148.4 Ų148.477%0.77179%0.791SS**  54.4114.450.3-53.7-17515900109.8
219E39.5Very low36.8Very low181 Ų181147.6 Ų147.685%0.84678%0.782SS**  cis-150.6175.236.7-126166.5170.600114
220E33.7Very low37.2Very low189 Ų189143.9 Ų143.988%0.88377%0.771SS**  trans61.2115.5163.6-62.9-167.4151.200122
221N37.5Very low37.5Very low145 Ų145147.1 Ų147.178%0.77577%0.772SS**  trans-137.5132.1157.9-169.3-2.6000105T223N221-T223 PolarHBondContact OD1-N 2.82Å
222P48Very low38.2Very low120 Ų120143.7 Ų143.778%0.77976%0.757SS**  -158.3112.7101.136.3-14.2000116
223T29.4Very low39Very low142 Ų142140 Ų14087%0.87175%0.747SS**  trans-140.9129.8149.2-17.50000113.5N221N221-T223 PolarHBondContact OD1-N 2.82Å
224R38Very low39Very low239 Ų239139.6 Ų139.690%0.90274%0.742SS**  trans-90.6112.5-171.2172.3-169-176.1171.82.3111.7
225A32Very low39.7Very low98 Ų98138 Ų13881%0.8174%0.735SS**  trans-151.4101162.200000109.9
226P52.4Low40.6Very low91 Ų91139.7 Ų139.759%0.59174%0.741SS**  trans-96.2166.5171.739.2-34.2000111.9
227D42.7Very low41.9Very low127 Ų127137.5 Ų137.568%0.67974%0.735SS**SBendtrans70.453.9156.2-48.7-41.1000119.1
228E48.1Very low42.6Very low156 Ų156136.9 Ų136.973%0.72973%0.73SS**SBendtrans-121.9-38.3156.2-69.3-168.8172.400113.3N230 M232E228-N230 VanDerWaalsContact C-N 3.32Å; E228-N230 PolarHBondContact O-N 3.43Å; E228-M232 HydrophobicContact CB-CE 4.38Å
229D43.4Very low43.7Very low124 Ų124137 Ų13766%0.66373%0.73SS**Hα-helixtrans-66.2-28.2-174.9-61.1-52.4000114.5E231 M232D229-E231 VanDerWaalsContact C-N 3.29Å; D229-E231 PolarHBondContact O-N 3.15Å; D229-M232 PolarHBondContact O-N 2.9Å
230N42.2Very low44.5Very low118 Ų118133.9 Ų133.963%0.63172%0.717SS**Hα-helixtrans-65.7-26.7-174.9-73.9-36.4000113.6E228E228-N230 VanDerWaalsContact C-N 3.32Å; E228-N230 PolarHBondContact O-N 3.43Å
231E45.3Very low46.4Very low150 Ų150128 Ų12870%0.70169%0.694SS**Hα-helixtrans-84.7-23.5178.8-63.7-161.7152.100113D229D229-E231 VanDerWaalsContact C-N 3.29Å; D229-E231 PolarHBondContact O-N 3.15Å
232M44.4Very low48Very low113 Ų113127.5 Ų127.556%0.55769%0.691SS**Hα-helixtrans-73.2-34.2-177.1-52.3-163.2-155.900112E228 D229 V234 Q235E228-M232 HydrophobicContact CB-CE 4.38Å; D229-M232 PolarHBondContact O-N 2.9Å; M232-V234 VanDerWaalsContact C-N 3.32Å; M232-V234 PolarHBondContact O-N 3.14Å; M232-Q235 PolarHBondContact O-N 3.04Å
233V48Very low49.4Very low106 Ų106126.9 Ų126.964%0.64268%0.681SS**Hα-helixtrans-64.7-36177.8-178.90000111.7Q235 V236V233-Q235 VanDerWaalsContact C-N 3.31Å; V233-Q235 PolarHBondContact O-N 3.43Å; V233-V236 PolarHBondContact O-N 2.97Å
234V47.2Very low52Low106 Ų106124.3 Ų124.364%0.64266%0.659SS**Hα-helixtrans-66.5-32-177.8-177.30000112M232 A237M232-V234 VanDerWaalsContact C-N 3.32Å; M232-V234 PolarHBondContact O-N 3.14Å; V234-A237 PolarHBondContact O-N 2.85Å
235Q45.1Very low53.9Low149 Ų149120.5 Ų120.570%0.69665%0.645SS**Hα-helixtrans-76.9-23.1-178.6-62.3-175.332.800113.3M232 V233 A237 M238M232-Q235 PolarHBondContact O-N 3.04Å; V233-Q235 VanDerWaalsContact C-N 3.31Å; V233-Q235 PolarHBondContact O-N 3.43Å; Q235-A237 VanDerWaalsContact C-N 3.3Å; Q235-M238 WeakPolarHBondContact O-CB 3.46Å; Q235-M238 PolarHBondContact O-N 3.02Å
236V46.5Very low56.3Low130 Ų130120.6 Ų120.679%0.78863%0.627SS**Hα-helixtrans-74.8-23.8172.3-178.20000111.4V233 M238V233-V236 PolarHBondContact O-N 2.97Å; V236-M238 VanDerWaalsContact C-N 3.29Å
237A49.9Very low57.6Low78 Ų78118.6 Ų118.665%0.64562%0.618SS**THydrogen-bonded Turntrans-85.98.7172.200000113.7V234 Q235 E239V234-A237 PolarHBondContact O-N 2.85Å; Q235-A237 VanDerWaalsContact C-N 3.3Å; A237-E239 PolarHBondContact O-N 2.95Å; A237-E239 VanDerWaalsContact O-N 3.08Å
238M46.1Very low59Low147 Ų147117.9 Ų117.972%0.72461%0.612SS**SBendtrans-71.899.3164.4-170.679.976.500108.2Q235 V236 M240Q235-M238 WeakPolarHBondContact O-CB 3.46Å; Q235-M238 PolarHBondContact O-N 3.02Å; V236-M238 VanDerWaalsContact C-N 3.29Å; M238-M240 PolarHBondContact O-N 3.19Å
239E58.2Low60.2Low167 Ų167114.1 Ų114.178%0.7859%0.594SS**  trans-52.4110.5175-63.6179.9171.100110.2A237 T241A237-E239 PolarHBondContact O-N 2.95Å; A237-E239 VanDerWaalsContact O-N 3.08Å; E239-T241 PolarHBondContact O-N 3.23Å
240M56.5Low61.6Low117 Ų117113.3 Ų113.358%0.57659%0.587SS**  trans-61.6103165.7-74-58.9-4600107.1M238 L242 E244M238-M240 PolarHBondContact O-N 3.19Å; M240-L242 PolarHBondContact O-N 3.38Å; M240-E244 HydrophobicContact CE-CB 4.27Å; M240-E244 VanDerWaalsContact CE-OE2 3.26Å; M240-E244 WeakPolarHBondContact CE-OE2 3.44Å
241T73.4Confident62.9Low65 Ų65113 Ų11340%0.39959%0.589SS.*  trans-59.9141.1-167.8680000109.9E239 D243 E244 W245E239-T241 PolarHBondContact O-N 3.23Å; T241-D243 PolarHBondContact O-N 3.22Å; T241-E244 WeakPolarHBondContact CB-OE1 3.42Å; T241-E244 WeakPolarHBondContact CG2-OE1 3.36Å; T241-E244 WeakPolarHBondContact O-CB 3.49Å; T241-E244 PolarHBondContact O-N 2.66Å; T241-E244 WeakPolarHBondContact OG1-CG 3.48Å; T241-E244 PolarHBondContact OG1-N 2.97Å; T241-E244 PolarHBondContact OG1-OE1 2.9Å; T241-W245 PolarHBondContact O-N 2.65Å
242L70.6Confident64.1Low134 Ų134111.8 Ų111.870%0.70259%0.587SS**Hα-helixtrans-57.7-24.1-176-69.8176.6000112.3M240 K246M240-L242 PolarHBondContact O-N 3.38Å; L242-K246 WeakPolarHBondContact O-CB 3.16Å; L242-K246 WeakPolarHBondContact O-CD 3.49Å; L242-K246 WeakPolarHBondContact O-CE 3.43Å; L242-K246 WeakPolarHBondContact O-CG 3.49Å; L242-K246 PolarHBondContact O-N 2.93Å
243D77.8Confident65.4Low107 Ų107112.8 Ų112.857%0.57259%0.585SS**Hα-helixtrans-78.1-29.2177.1-64-25.5000113T241 K246 A247T241-D243 PolarHBondContact O-N 3.22Å; D243-K246 WeakPolarHBondContact OD1-CD 3.26Å; D243-K246 WeakPolarHBondContact OD1-CE 3.48Å; D243-K246 IonicContact OD1-NZ 3.01Å; D243-K246 PolarHBondContact OD1-NZ 3.39Å; D243-A247 VanDerWaalsContact O-CB 3.24Å; D243-A247 WeakPolarHBondContact O-CB 3.17Å; D243-A247 PolarHBondContact O-N 2.71Å
244E84.8Confident66.5Low88 Ų88113.3 Ų113.341%0.41159%0.59SS.*Hα-helixtrans-67.1-42.3167.6-73.8165.4-108.800111.6M240 T241 A247 M248M240-E244 HydrophobicContact CE-CB 4.27Å; M240-E244 VanDerWaalsContact CE-OE2 3.26Å; M240-E244 WeakPolarHBondContact CE-OE2 3.44Å; T241-E244 WeakPolarHBondContact CB-OE1 3.42Å; T241-E244 WeakPolarHBondContact CG2-OE1 3.36Å; T241-E244 WeakPolarHBondContact O-CB 3.49Å; T241-E244 PolarHBondContact O-N 2.66Å; T241-E244 WeakPolarHBondContact OG1-CG 3.48Å; T241-E244 PolarHBondContact OG1-N 2.97Å; T241-E244 PolarHBondContact OG1-OE1 2.9Å; E244-A247 PolarHBondContact O-N 3.5Å; E244-M248 WeakPolarHBondContact O-CG 3.46Å; E244-M248 PolarHBondContact O-N 2.91Å
245W76.7Confident67.5Low160 Ų160115.5 Ų115.561%0.60659%0.591SS**Hα-helixtrans-68.4-38.8177.1-152.387.8000111.7T241 M248 Q249T241-W245 PolarHBondContact O-N 2.65Å; W245-M248 PolarHBondContact O-N 2.86Å; W245-Q249 HydrophobicContact CD2-CG 4.49Å; W245-Q249 HydrophobicContact CE3-CG 3.77Å; W245-Q249 HydrophobicContact CH2-CG 4.3Å; W245-Q249 VanDerWaalsContact CH2-NE2 3.33Å; W245-Q249 HydrophobicContact CZ3-CG 3.67Å; W245-Q249 WeakPolarHBondContact O-CG 3.25Å; W245-Q249 PolarHBondContact O-N 3.43Å
246K83.1Confident68.9Low99 Ų99113.3 Ų113.343%0.4359%0.588SS.*Hα-helixtrans-60.5-42.6168.5-72.8166.9-149.5162.20111.8L242 D243 M248 Q249 E250L242-K246 WeakPolarHBondContact O-CB 3.16Å; L242-K246 WeakPolarHBondContact O-CD 3.49Å; L242-K246 WeakPolarHBondContact O-CE 3.43Å; L242-K246 WeakPolarHBondContact O-CG 3.49Å; L242-K246 PolarHBondContact O-N 2.93Å; D243-K246 WeakPolarHBondContact OD1-CD 3.26Å; D243-K246 WeakPolarHBondContact OD1-CE 3.48Å; D243-K246 IonicContact OD1-NZ 3.01Å; D243-K246 PolarHBondContact OD1-NZ 3.39Å; K246-M248 PolarHBondContact O-N 3.33Å; K246-Q249 CarbonylContact O-C 3.5Å; K246-Q249 WeakPolarHBondContact O-CA 3.5Å; K246-Q249 WeakPolarHBondContact O-CB 3.33Å; K246-Q249 PolarHBondContact O-N 3.23Å; K246-Q249 VanDerWaalsContact O-N 3.13Å; K246-E250 WeakPolarHBondContact O-CB 3.41Å; K246-E250 PolarHBondContact O-N 2.75Å
247A79.1Confident70Confident49 Ų49114.7 Ų114.741%0.40559%0.586SS.*Hα-helixtrans-63.5-40.4177.700000111.8D243 E244 Q249 E250 V251D243-A247 VanDerWaalsContact O-CB 3.24Å; D243-A247 WeakPolarHBondContact O-CB 3.17Å; D243-A247 PolarHBondContact O-N 2.71Å; E244-A247 PolarHBondContact O-N 3.5Å; A247-Q249 VanDerWaalsContact C-N 3.34Å; A247-Q249 PolarHBondContact O-N 2.91Å; A247-E250 PolarHBondContact O-N 2.77Å; A247-V251 WeakPolarHBondContact O-CG2 3.46Å; A247-V251 PolarHBondContact O-N 2.79Å
248M73Confident71.1Confident113 Ų113118.4 Ų118.456%0.55759%0.588SS**Hα-helixtrans-62.6-39.7171.4-67.8-162.1-171.100111.9E244 W245 K246 N252E244-M248 WeakPolarHBondContact O-CG 3.46Å; E244-M248 PolarHBondContact O-N 2.91Å; W245-M248 PolarHBondContact O-N 2.86Å; K246-M248 PolarHBondContact O-N 3.33Å; M248-N252 WeakPolarHBondContact O-CB 3.49Å; M248-N252 PolarHBondContact O-N 3.33Å; M248-N252 VanDerWaalsContact O-N 3.17Å; M248-N252 PolarHBondContact O-ND2 3.2Å
249Q73.8Confident72.2Confident76 Ų76119.3 Ų119.336%0.35560%0.595SS.*Hα-helixtrans-65.8-36.7172.4-69.5-64.9-20.200112.3W245 K246 A247 N252 R253W245-Q249 HydrophobicContact CD2-CG 4.49Å; W245-Q249 HydrophobicContact CE3-CG 3.77Å; W245-Q249 HydrophobicContact CH2-CG 4.3Å; W245-Q249 VanDerWaalsContact CH2-NE2 3.33Å; W245-Q249 HydrophobicContact CZ3-CG 3.67Å; W245-Q249 WeakPolarHBondContact O-CG 3.25Å; W245-Q249 PolarHBondContact O-N 3.43Å; K246-Q249 CarbonylContact O-C 3.5Å; K246-Q249 WeakPolarHBondContact O-CA 3.5Å; K246-Q249 WeakPolarHBondContact O-CB 3.33Å; K246-Q249 PolarHBondContact O-N 3.23Å; K246-Q249 VanDerWaalsContact O-N 3.13Å; A247-Q249 VanDerWaalsContact C-N 3.34Å; A247-Q249 PolarHBondContact O-N 2.91Å; Q249-N252 CarbonylContact O-C 3.58Å; Q249-N252 PolarHBondContact O-N 3.17Å; Q249-R253 WeakPolarHBondContact O-CB 3.48Å; Q249-R253 VanDerWaalsContact O-CG 3.25Å; Q249-R253 WeakPolarHBondContact O-CG 3.24Å; Q249-R253 PolarHBondContact O-N 2.77Å
250E71.2Confident73Confident108 Ų108117.9 Ų117.951%0.50559%0.592SS.*Hα-helixtrans-78.8-23.4-178.3-79.4175.4-169.800114.5K246 A247 R253K246-E250 WeakPolarHBondContact O-CB 3.41Å; K246-E250 PolarHBondContact O-N 2.75Å; A247-E250 PolarHBondContact O-N 2.77Å; E250-R253 IonicContact OE1-CZ 3.08Å; E250-R253 IonicContact OE1-NH1 3.94Å; E250-R253 PolarHBondContact OE1-NH1 2.98Å
251V69.6Low73.9Confident112 Ų112123.3 Ų123.368%0.67961%0.606SS**Hα-helixtrans-76.5-32.6167172.90000111.6A247A247-V251 WeakPolarHBondContact O-CG2 3.46Å; A247-V251 PolarHBondContact O-N 2.79Å
252N71.7Confident74.1Confident124 Ų124129.9 Ų129.966%0.66363%0.629SS**Hα-helixtrans-86.8-22178-73.9-58.2000114.2M248 Q249M248-N252 WeakPolarHBondContact O-CB 3.49Å; M248-N252 PolarHBondContact O-N 3.33Å; M248-N252 VanDerWaalsContact O-N 3.17Å; M248-N252 PolarHBondContact O-ND2 3.2Å; Q249-N252 CarbonylContact O-C 3.58Å; Q249-N252 PolarHBondContact O-N 3.17Å
253R70.6Confident74Confident134 Ų134126.7 Ų126.751%0.50662%0.622SS.*SBendtrans-58.2124.5165.5-80.9171.1-161.5160.210.6107.5Q249 E250 K255Q249-R253 WeakPolarHBondContact O-CB 3.48Å; Q249-R253 VanDerWaalsContact O-CG 3.25Å; Q249-R253 WeakPolarHBondContact O-CG 3.24Å; Q249-R253 PolarHBondContact O-N 2.77Å; E250-R253 IonicContact OE1-CZ 3.08Å; E250-R253 IonicContact OE1-NH1 3.94Å; E250-R253 PolarHBondContact OE1-NH1 2.98Å; R253-K255 PolarHBondContact O-N 3.49Å
254P71.1Confident73.6Confident116 Ų116128.5 Ų128.575%0.75363%0.627SS**  trans-61.9114.6177.225.4-32.9000108.3V256P254-V256 PolarHBondContact O-N 3.13Å; P254-V256 VanDerWaalsContact O-N 3.1Å
255K69.4Low72.7Confident153 Ų153131.2 Ų131.267%0.66564%0.644SS**  trans-54.4120.9172-68.6174.8-176.8172.80106.9R253 E257R253-K255 PolarHBondContact O-N 3.49Å; K255-E257 HydrophobicContact CB-CG 4.26Å; K255-E257 PolarHBondContact O-N 2.84Å
256V74.7Confident72.5Confident102 Ų102131 Ų13162%0.61865%0.647SS**  trans-77.480.5-177.9-166.80000107.7P254 F258P254-V256 PolarHBondContact O-N 3.13Å; P254-V256 VanDerWaalsContact O-N 3.1Å; V256-F258 HydrophobicContact CB-CD2 4.21Å; V256-F258 HydrophobicContact CB-CE2 3.83Å; V256-F258 HydrophobicContact CB-CZ 4.17Å; V256-F258 HydrophobicContact CG1-CD1 3.98Å; V256-F258 HydrophobicContact CG1-CD2 3.82Å; V256-F258 HydrophobicContact CG1-CE1 3.65Å; V256-F258 HydrophobicContact CG1-CE2 3.47Å; V256-F258 VanDerWaalsContact CG1-CE2 3.47Å; V256-F258 HydrophobicContact CG1-CG 4.06Å; V256-F258 HydrophobicContact CG1-CZ 3.39Å; V256-F258 WeakPolarHBondContact O-CD2 3.47Å; V256-F258 PolarHBondContact O-N 2.85Å
257E69.1Low72Confident160 Ų160133.1 Ų133.175%0.74866%0.662SS**  trans-71.969.7176.7-69.4-179.6-170.400108.9K255 N259K255-E257 HydrophobicContact CB-CG 4.26Å; K255-E257 PolarHBondContact O-N 2.84Å; E257-N259 PolarHBondContact O-N 2.91Å
258F72.4Confident72Confident156 Ų156135.2 Ų135.268%0.68467%0.671SS**  trans-54.3125.5173.3-66.8-77.4000108.8V256 I260V256-F258 HydrophobicContact CB-CD2 4.21Å; V256-F258 HydrophobicContact CB-CE2 3.83Å; V256-F258 HydrophobicContact CB-CZ 4.17Å; V256-F258 HydrophobicContact CG1-CD1 3.98Å; V256-F258 HydrophobicContact CG1-CD2 3.82Å; V256-F258 HydrophobicContact CG1-CE1 3.65Å; V256-F258 HydrophobicContact CG1-CE2 3.47Å; V256-F258 VanDerWaalsContact CG1-CE2 3.47Å; V256-F258 HydrophobicContact CG1-CG 4.06Å; V256-F258 HydrophobicContact CG1-CZ 3.39Å; V256-F258 WeakPolarHBondContact O-CD2 3.47Å; V256-F258 PolarHBondContact O-N 2.85Å; F258-I260 HydrophobicContact CB-CD1 4.11Å; F258-I260 HydrophobicContact CB-CG1 3.71Å; F258-I260 PolarHBondContact O-N 2.84Å
259N68.9Low72.1Confident165 Ų165136 Ų13688%0.88269%0.688SS**  trans-73.155.8173.1-80.8-67.2000111.3E257 R261E257-N259 PolarHBondContact O-N 2.91Å; N259-R261 PolarHBondContact O-N 3.49Å; N259-R261 VanDerWaalsContact O-N 3.1Å
260I75.6Confident72.3Confident138 Ų138141.7 Ų141.771%0.70871%0.712SS**  trans-65.2110172.4-54.8177.3000106.5F258 K262F258-I260 HydrophobicContact CB-CD1 4.11Å; F258-I260 HydrophobicContact CB-CG1 3.71Å; F258-I260 PolarHBondContact O-N 2.84Å; I260-K262 PolarHBondContact O-N 3.32Å
261R76.1Confident72.7Confident230 Ų230139.3 Ų139.387%0.86871%0.711SS**  trans-57125.1171.2-62.5179-177.2178.91.1107.2N259 A263N259-R261 PolarHBondContact O-N 3.49Å; N259-R261 VanDerWaalsContact O-N 3.1Å; R261-A263 PolarHBondContact O-N 3.17Å
262K76.6Confident73.1Confident203 Ų203143 Ų14388%0.88372%0.718SS**  trans-51.5114.3179.7-65.7-179.3-179.9179.90108.9I260 E264I260-K262 PolarHBondContact O-N 3.32Å; K262-E264 PolarHBondContact O-N 2.75Å
263A69.6Low73.7Confident67 Ų67142.4 Ų142.455%0.55472%0.718SS**  trans-64.4130.7176.200000108.6R261 D265R261-A263 PolarHBondContact O-N 3.17Å; A263-D265 VanDerWaalsContact C-N 3.31Å; A263-D265 WeakPolarHBondContact CB-OD1 3.23Å; A263-D265 PolarHBondContact O-N 3.1Å; A263-D265 VanDerWaalsContact O-N 3.17Å
264E67.8Low74.3Confident146 Ų146144.2 Ų144.268%0.68274%0.736SS**  trans-84.282.2168.3-69.1-140.9-166.500108.3K262 K266K262-E264 PolarHBondContact O-N 2.75Å; E264-K266 PolarHBondContact O-N 2.99Å; E264-K266 IonicContact OE2-NZ 2.78Å; E264-K266 PolarHBondContact OE2-NZ 3.34Å
265D66.1Low74.7Confident144 Ų144146.5 Ų146.577%0.7774%0.736SS**  trans-68.625.7179.2-58.7-35.5000113.5A263 I267A263-D265 VanDerWaalsContact C-N 3.31Å; A263-D265 WeakPolarHBondContact CB-OD1 3.23Å; A263-D265 PolarHBondContact O-N 3.1Å; A263-D265 VanDerWaalsContact O-N 3.17Å; D265-I267 PolarHBondContact O-N 2.73Å; D265-I267 VanDerWaalsContact O-N 3.16Å
266K73.2Confident75Confident156 Ų156147.2 Ų147.268%0.67874%0.742SS**  trans-85.478.6175.5-63.4172.7-164.8149.60109.1E264 P268E264-K266 PolarHBondContact O-N 2.99Å; E264-K266 IonicContact OE2-NZ 2.78Å; E264-K266 PolarHBondContact OE2-NZ 3.34Å; K266-P268 VanDerWaalsContact O-N 3.11Å
267I71.8Confident74.6Confident143 Ų143145.8 Ų145.873%0.73374%0.736SS**  trans-48.5121.1163.5-61.4175.6000107.4D265 S269 A271D265-I267 PolarHBondContact O-N 2.73Å; D265-I267 VanDerWaalsContact O-N 3.16Å; I267-S269 PolarHBondContact O-N 3.25Å; I267-A271 HydrophobicContact CG2-CB 3.82Å
268P80.8Confident74.5Confident94 Ų94147.1 Ų147.161%0.6174%0.74SS**  trans-64.9136.5-173.124.3-32.8000109.6K266 K270 A271K266-P268 VanDerWaalsContact O-N 3.11Å; P268-K270 PolarHBondContact O-N 3.05Å; P268-A271 HydrophobicContact CG-CB 4.28Å; P268-A271 VanDerWaalsContact O-CB 3.32Å; P268-A271 WeakPolarHBondContact O-CB 3.44Å; P268-A271 PolarHBondContact O-N 2.91Å
269S73.4Confident73.6Confident130 Ų130147.3 Ų147.391%0.90974%0.742SS**THydrogen-bonded Turntrans-61.8-0.7-170.957.10000116.4I267I267-S269 PolarHBondContact O-N 3.25Å
270K79.8Confident72.8Confident194 Ų194144.6 Ų144.684%0.84373%0.727SS**THydrogen-bonded Turntrans-101.9-8.7173.7-63.1178.8-179.1177.70113.3P268 K272P268-K270 PolarHBondContact O-N 3.05Å; K270-K272 PolarHBondContact O-N 3.03Å
271A78.9Confident71.7Confident59 Ų59146.7 Ų146.749%0.48873%0.734SS.*  trans-69.6118.7176.600000110I267 P268I267-A271 HydrophobicContact CG2-CB 3.82Å; P268-A271 HydrophobicContact CG-CB 4.28Å; P268-A271 VanDerWaalsContact O-CB 3.32Å; P268-A271 WeakPolarHBondContact O-CB 3.44Å; P268-A271 PolarHBondContact O-N 2.91Å
272K77.1Confident70.5Confident189 Ų189138.7 Ų138.782%0.82271%0.709SS**  trans-100.3133.3167.2-71.6-175.1175.7-1780108.7K270 I274K270-K272 PolarHBondContact O-N 3.03Å; K272-I274 WeakPolarHBondContact O-CG1 3.36Å; K272-I274 PolarHBondContact O-N 2.8Å
273V84.2Confident69.4Low112 Ų112133.8 Ų133.868%0.67970%0.696SS**  trans-66.8104.3173175.20000108.2H275 Q276V273-H275 VanDerWaalsContact C-N 3.28Å; V273-H275 WeakPolarHBondContact CG1-O 3.45Å; V273-H275 PolarHBondContact O-N 3.33Å; V273-Q276 HydrophobicContact CG1-CG 4.49Å
274I82.9Confident68.6Low171 Ų171137.8 Ų137.888%0.87770%0.701SS**SBendtrans-71-27.8-175.1-53.8179.9000111.2K272K272-I274 WeakPolarHBondContact O-CG1 3.36Å; K272-I274 PolarHBondContact O-N 2.8Å
275H80.6Confident67.9Low164 Ų164136.5 Ų136.576%0.75970%0.695SS**SBendtrans-122.496.5174.7-146.576.7000108.8V273 S277V273-H275 VanDerWaalsContact C-N 3.28Å; V273-H275 WeakPolarHBondContact CG1-O 3.45Å; V273-H275 PolarHBondContact O-N 3.33Å; H275-S277 PolarHBondContact O-N 3.5Å
276Q74.4Confident67.3Low169 Ų169133 Ų13379%0.7968%0.679SS**  trans-66.2102.6167.7-72.9-179.2-26.600107.3V273 K278V273-Q276 HydrophobicContact CG1-CG 4.49Å; Q276-K278 PolarHBondContact O-N 3Å
277S67.2Low66.5Low71 Ų71129 Ų12950%0.49767%0.667SS.*  trans-56.1123.4170.837.90000108.3H275 H279H275-S277 PolarHBondContact O-N 3.5Å; S277-H279 WeakPolarHBondContact CB-NE2 3.34Å; S277-H279 PolarHBondContact O-CD2 3.11Å; S277-H279 PolarHBondContact O-N 2.79Å; S277-H279 PolarHBondContact OG-CD2 3Å; S277-H279 PolarHBondContact OG-NE2 2.89Å
278K66.4Low65.7Low189 Ų189128.2 Ų128.282%0.82266%0.66SS**  trans-70.881.3169.4-67.1-176.5-178.2-1790107.9Q276 L280Q276-K278 PolarHBondContact O-N 3Å; K278-L280 PolarHBondContact O-N 2.78Å
279H53.6Low64.4Low159 Ų159131 Ų13174%0.73667%0.665SS**  trans-66.885.1160.6-68.7-77.2000106.9S277 E281S277-H279 WeakPolarHBondContact CB-NE2 3.34Å; S277-H279 PolarHBondContact O-CD2 3.11Å; S277-H279 PolarHBondContact O-N 2.79Å; S277-H279 PolarHBondContact OG-CD2 3Å; S277-H279 PolarHBondContact OG-NE2 2.89Å; H279-E281 PolarHBondContact O-N 2.92Å
280L53.2Low63.7Low108 Ų108130.8 Ų130.857%0.56565%0.652SS**  trans-59.4127.5166.7-68.3176.9000107.5K278 N282K278-L280 PolarHBondContact O-N 2.78Å; L280-N282 HydrophobicContact CB-CB 4.09Å; L280-N282 WeakPolarHBondContact CB-OD1 3.33Å; L280-N282 PolarHBondContact O-N 2.7Å
281E52Low62.6Low182 Ų182128 Ų12885%0.8564%0.643SS**G310 helixtrans-67.7-12.1172.3-62.5174.4130.600111H279 T283H279-E281 PolarHBondContact O-N 2.92Å; E281-T283 PolarHBondContact O-N 3.18Å; E281-T283 VanDerWaalsContact O-N 3.09Å
282N51.4Low61.3Low63 Ų63133.1 Ų133.134%0.33766%0.656SS.*G310 helixtrans-63.4-0.8175.1-47.777.1000115.3L280 K284 E285 T286L280-N282 HydrophobicContact CB-CB 4.09Å; L280-N282 WeakPolarHBondContact CB-OD1 3.33Å; L280-N282 PolarHBondContact O-N 2.7Å; N282-K284 PolarHBondContact O-N 3.15Å; N282-E285 PolarHBondContact ND2-OE2 2.6Å; N282-E285 PolarHBondContact O-N 2.95Å; N282-E285 VanDerWaalsContact O-N 3.14Å; N282-T286 PolarHBondContact O-N 3.49Å; N282-T286 PolarHBondContact O-OG1 3Å
283T52.9Low60.3Low99 Ų99131.9 Ų131.961%0.60766%0.659SS**G310 helixtrans-61.6-10.1176.851.20000113.9E281 V287E281-T283 PolarHBondContact O-N 3.18Å; E281-T283 VanDerWaalsContact O-N 3.09Å; T283-V287 VanDerWaalsContact O-CG2 3.28Å; T283-V287 WeakPolarHBondContact O-CG2 3.16Å
284K53.9Low58.9Low152 Ų152128.5 Ų128.566%0.66165%0.647SS**THydrogen-bonded Turntrans-86.4-55.1168.2-63.5-180179179.30112N282 T286 V287 E288N282-K284 PolarHBondContact O-N 3.15Å; K284-T286 VanDerWaalsContact C-N 3.27Å; K284-T286 PolarHBondContact O-N 3.5Å; K284-V287 PolarHBondContact O-N 3.21Å; K284-E288 PolarHBondContact O-N 3.17Å
285E51.6Low57.6Low118 Ų118126.1 Ų126.155%0.55163%0.632SS**Hα-helixtrans-52.5-43.8176.9-68.4178.8135.400112.1N282 V287 E288 E289N282-E285 PolarHBondContact ND2-OE2 2.6Å; N282-E285 PolarHBondContact O-N 2.95Å; N282-E285 VanDerWaalsContact O-N 3.14Å; E285-V287 PolarHBondContact O-N 2.95Å; E285-E288 PolarHBondContact O-N 2.93Å; E285-E289 PolarHBondContact O-N 3.18Å
286T53.8Low56.3Low72 Ų72127 Ų12744%0.44263%0.633SS.*Hα-helixtrans-72.9-11.6-18059.90000114.3N282 K284 I290N282-T286 PolarHBondContact O-N 3.49Å; N282-T286 PolarHBondContact O-OG1 3Å; K284-T286 VanDerWaalsContact C-N 3.27Å; K284-T286 PolarHBondContact O-N 3.5Å; T286-I290 WeakPolarHBondContact O-CD1 3.45Å; T286-I290 VanDerWaalsContact O-CG1 3.23Å; T286-I290 WeakPolarHBondContact O-CG1 3.15Å
287V55.5Low54.9Low71 Ų71128.2 Ų128.243%0.4364%0.637SS.*Hα-helixtrans-88.2-46.1170.8169.50000109.2T283 K284 E285 E289 I290 E291T283-V287 VanDerWaalsContact O-CG2 3.28Å; T283-V287 WeakPolarHBondContact O-CG2 3.16Å; K284-V287 PolarHBondContact O-N 3.21Å; E285-V287 PolarHBondContact O-N 2.95Å; V287-E289 PolarHBondContact O-N 3.03Å; V287-I290 PolarHBondContact O-N 3.43Å; V287-E291 HydrophobicContact CG1-CG 4.32Å; V287-E291 WeakPolarHBondContact O-CG 3.31Å; V287-E291 PolarHBondContact O-N 2.95Å
288E55.3Low54.4Low127 Ų127137 Ų13759%0.59366%0.659SS**Hα-helixtrans-59.1-43.8179.2-68165.4-16300111.7K284 E285 I290 E291 E292K284-E288 PolarHBondContact O-N 3.17Å; E285-E288 PolarHBondContact O-N 2.93Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 3.01Å; E288-E291 PolarHBondContact O-N 3.11Å; E288-E292 PolarHBondContact O-N 3.24Å
289E54.8Low54.2Low153 Ų153136.1 Ų136.172%0.71565%0.65SS**Hα-helixtrans-66.4-26.9175.8-169.2177-153.300113.3E285 V287E285-E289 PolarHBondContact O-N 3.18Å; V287-E289 PolarHBondContact O-N 3.03Å
290I58.1Low54.8Low124 Ų124132.3 Ų132.364%0.63664%0.642SS**Hα-helixtrans-85.6-25.9179-69.2179.8000112T286 V287 E288T286-I290 WeakPolarHBondContact O-CD1 3.45Å; T286-I290 VanDerWaalsContact O-CG1 3.23Å; T286-I290 WeakPolarHBondContact O-CG1 3.15Å; V287-I290 PolarHBondContact O-N 3.43Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 3.01Å
291E56.1Low55.4Low137 Ų137134.3 Ų134.364%0.6466%0.658SS**Hα-helixtrans-76-35.6177.2-74.5-177.217400112.6V287 E288V287-E291 HydrophobicContact CG1-CG 4.32Å; V287-E291 WeakPolarHBondContact O-CG 3.31Å; V287-E291 PolarHBondContact O-N 2.95Å; E288-E291 PolarHBondContact O-N 3.11Å
292E53.2Low56.5Low165 Ų165132.3 Ų132.377%0.77165%0.653SS**Hα-helixtrans-72.8-48.1-175-163.5161.6-134.700113.1E288 G294 H295E288-E292 PolarHBondContact O-N 3.24Å; E292-G294 PolarHBondContact O-N 2.91Å; E292-H295 PolarHBondContact O-CE1 2.8Å; E292-H295 PolarHBondContact O-ND1 2.83Å
293D55.5Low57.8Low163 Ų163131.8 Ų131.887%0.87265%0.65SS**SBendtrans-87.6-1-175.4-14733000113.6
294G54.2Low59Low42 Ų42131.7 Ų131.743%0.43365%0.645SS.*  trans-10218.7-165.500000117.7E292E292-G294 PolarHBondContact O-N 2.91Å
295H56.2Low59.8Low120 Ų120127.2 Ų127.256%0.55663%0.631SS**  trans-67.5138.2-159.5-90.395.5000118.2E292E292-H295 PolarHBondContact O-CE1 2.8Å; E292-H295 PolarHBondContact O-ND1 2.83Å
296F52.3Low60.6Low182 Ų182126.1 Ų126.180%0.79863%0.632SS**  trans63.348.7152.8-56.8-52.1000122.1
297F45.9Very low61.6Low196 Ų196129.5 Ų129.586%0.8665%0.647SS**SBendtrans-120.4119.8144.5-74.7-70.7000111.4R299F297-R299 PolarHBondContact O-N 2.83Å
298R55.8Low62.6Low254 Ų254129.8 Ų129.896%0.95865%0.645SS**  trans-46.188-171.8-61.3174.7-175.3-98.21.1113.6
299R62.2Low63.4Low171 Ų171131.7 Ų131.765%0.64566%0.66SS**  trans-67133.6158.3-71.6176.4169.3117.3-7107.6F297F297-R299 PolarHBondContact O-N 2.83Å
300S66.9Low64.4Low79 Ų79129 Ų12955%0.55265%0.649SS**  trans-70.8148.9169.445.10000109.1N302 D303S300-N302 PolarHBondContact O-N 3.18Å; S300-D303 VanDerWaalsContact O-CB 3.31Å; S300-D303 WeakPolarHBondContact O-CB 3.18Å; S300-D303 PolarHBondContact O-N 2.99Å
301V65.4Low65Low150 Ų150130.4 Ų130.491%0.90966%0.658SS**THydrogen-bonded Turntrans-58-21.8176.4-178.10000111.9
302N75Confident65.4Low141 Ų141128.8 Ų128.875%0.75465%0.649SS**THydrogen-bonded Turntrans-97.313.7178.6-55.1-0.9000113.6S300 I304S300-N302 PolarHBondContact O-N 3.18Å; N302-I304 VanDerWaalsContact C-N 3.33Å; N302-I304 PolarHBondContact O-N 2.96Å
303D78.3Confident65.5Low51 Ų51123.4 Ų123.427%0.27364%0.638SS.*  trans-7779.5-179.6-169-0.7000112S300 T305S300-D303 VanDerWaalsContact O-CB 3.31Å; S300-D303 WeakPolarHBondContact O-CB 3.18Å; S300-D303 PolarHBondContact O-N 2.99Å; D303-T305 PolarHBondContact O-N 3.35Å; D303-T305 VanDerWaalsContact O-N 3.15Å; D303-T305 WeakPolarHBondContact OD1-CB 3.23Å; D303-T305 WeakPolarHBondContact OD1-CG2 3.28Å; D303-T305 PolarHBondContact OD1-N 3.34Å; D303-T305 PolarHBondContact OD1-OG1 3.07Å
304I78.9Confident65.6Low98 Ų98122.4 Ų122.450%0.50364%0.638SS.*G310 helixtrans-71.63.4176.765.4173.6000113.8N302 T306 L307 L308N302-I304 VanDerWaalsContact C-N 3.33Å; N302-I304 PolarHBondContact O-N 2.96Å; I304-T306 PolarHBondContact O-N 3.36Å; I304-L307 HydrophobicContact CG2-CD1 4.43Å; I304-L307 PolarHBondContact O-N 3.42Å; I304-L308 HydrophobicContact CD1-CD1 4.05Å; I304-L308 HydrophobicContact CG1-CD1 4.14Å
305T71.4Confident65.8Low57 Ų57126.6 Ų126.635%0.3565%0.649SS.*G310 helixtrans-70.4-11.8-174.765.50000114.2D303D303-T305 PolarHBondContact O-N 3.35Å; D303-T305 VanDerWaalsContact O-N 3.15Å; D303-T305 WeakPolarHBondContact OD1-CB 3.23Å; D303-T305 WeakPolarHBondContact OD1-CG2 3.28Å; D303-T305 PolarHBondContact OD1-N 3.34Å; D303-T305 PolarHBondContact OD1-OG1 3.07Å
306T69Low65.7Low96 Ų96124.1 Ų124.159%0.58966%0.657SS**G310 helixtrans-90.9-13.8169.253.70000114I304I304-T306 PolarHBondContact O-N 3.36Å
307L73.4Confident66Low142 Ų142124.8 Ų124.874%0.74365%0.654SS**SBendtrans-94.31.4178.3-61.4175.6000112.7I304I304-L307 HydrophobicContact CG2-CD1 4.43Å; I304-L307 PolarHBondContact O-N 3.42Å
308L77.6Confident66.5Low77 Ų77121.5 Ų121.540%0.40365%0.653SS.*SBendtrans-123121.7-178-63.4173.5000108.8I304 I310I304-L308 HydrophobicContact CD1-CD1 4.05Å; I304-L308 HydrophobicContact CG1-CD1 4.14Å; L308-I310 HydrophobicContact CB-CD1 4.14Å; L308-I310 HydrophobicContact CB-CG1 4.12Å; L308-I310 HydrophobicContact CD1-CD1 4.14Å; L308-I310 PolarHBondContact O-N 3.1Å
309D72Confident66.2Low167 Ų167114.7 Ų114.789%0.89364%0.644SS**  trans-69.427.2175.1-72.1-29.5000113.7N311D309-N311 PolarHBondContact O-N 2.75Å; D309-N311 VanDerWaalsContact O-N 3.12Å
310I76Confident66Low96 Ų96118.8 Ų118.849%0.49266%0.659SS.*  trans-78.698.4176.8-60.1174.3000107.9L308 F312L308-I310 HydrophobicContact CB-CD1 4.14Å; L308-I310 HydrophobicContact CB-CG1 4.12Å; L308-I310 HydrophobicContact CD1-CD1 4.14Å; L308-I310 PolarHBondContact O-N 3.1Å; I310-F312 VanDerWaalsContact C-N 3.31Å; I310-F312 HydrophobicContact CB-CD2 4.41Å; I310-F312 HydrophobicContact CB-CE2 3.91Å; I310-F312 HydrophobicContact CB-CZ 4.13Å; I310-F312 HydrophobicContact CG2-CD1 4.15Å; I310-F312 HydrophobicContact CG2-CD2 4.08Å; I310-F312 HydrophobicContact CG2-CE1 3.82Å; I310-F312 HydrophobicContact CG2-CE2 3.74Å; I310-F312 HydrophobicContact CG2-CG 4.28Å; I310-F312 HydrophobicContact CG2-CZ 3.61Å; I310-F312 WeakPolarHBondContact O-CD2 3.34Å; I310-F312 PolarHBondContact O-N 2.78Å
311N69.8Low65.4Low155 Ų155118.4 Ų118.483%0.82967%0.667SS**  trans-64.790.8169.2-89.3-81.2000110.3D309 G313D309-N311 PolarHBondContact O-N 2.75Å; D309-N311 VanDerWaalsContact O-N 3.12Å; N311-G313 PolarHBondContact O-N 3.12Å
312F64.1Low64.6Low103 Ų103114.7 Ų114.745%0.45266%0.659SS.*  trans-69.455.6164.4-61.3-79.1000110.5I310 T314I310-F312 VanDerWaalsContact C-N 3.31Å; I310-F312 HydrophobicContact CB-CD2 4.41Å; I310-F312 HydrophobicContact CB-CE2 3.91Å; I310-F312 HydrophobicContact CB-CZ 4.13Å; I310-F312 HydrophobicContact CG2-CD1 4.15Å; I310-F312 HydrophobicContact CG2-CD2 4.08Å; I310-F312 HydrophobicContact CG2-CE1 3.82Å; I310-F312 HydrophobicContact CG2-CE2 3.74Å; I310-F312 HydrophobicContact CG2-CG 4.28Å; I310-F312 HydrophobicContact CG2-CZ 3.61Å; I310-F312 WeakPolarHBondContact O-CD2 3.34Å; I310-F312 PolarHBondContact O-N 2.78Å; F312-T314 PolarHBondContact O-N 2.78Å
313G56.4Low63.6Low51 Ų51120.2 Ų120.253%0.52667%0.67SS.*THydrogen-bonded Turntrans-60.292.1-167.300000112.5N311 L315N311-G313 PolarHBondContact O-N 3.12Å; G313-L315 PolarHBondContact O-N 3.01Å
314T57.5Low62Low143 Ų143121.1 Ų121.188%0.87769%0.691SS**THydrogen-bonded Turntrans40.733.3-177.952.70000115.4F312 G316F312-T314 PolarHBondContact O-N 2.78Å; T314-G316 WeakPolarHBondContact O-CA 3.49Å; T314-G316 PolarHBondContact O-N 3.34Å
315L57.1Low60.8Low129 Ų129128.5 Ų128.568%0.67571%0.713SS**  trans-56.9105.9161.3-69.3-178.9000106.5G313 R317G313-L315 PolarHBondContact O-N 3.01Å; L315-R317 VanDerWaalsContact C-N 3.33Å; L315-R317 PolarHBondContact O-N 3.28Å
316G55.5Low59.9Low69 Ų69129.5 Ų129.571%0.71174%0.735SS**  trans-62.685.9-151.600000113.7T314 P318T314-G316 WeakPolarHBondContact O-CA 3.49Å; T314-G316 PolarHBondContact O-N 3.34Å; G316-P318 VanDerWaalsContact O-CD 3.23Å; G316-P318 WeakPolarHBondContact O-CD 3.42Å; G316-P318 VanDerWaalsContact O-N 3.1Å
317R58.2Low58.7Low195 Ų195130.1 Ų130.174%0.73675%0.75SS**  trans-49.4118.9173.9-73.9-173.2179.7-106.57.9107.3L315 S319L315-R317 VanDerWaalsContact C-N 3.33Å; L315-R317 PolarHBondContact O-N 3.28Å; R317-S319 VanDerWaalsContact C-N 3.27Å; R317-S319 PolarHBondContact O-N 2.93Å
318P56Low57.6Low128 Ų128135.6 Ų135.683%0.83176%0.76SS**  trans-65.289.3179.2-23.735.5000109.7G316 R320G316-P318 VanDerWaalsContact O-CD 3.23Å; G316-P318 WeakPolarHBondContact O-CD 3.42Å; G316-P318 VanDerWaalsContact O-N 3.1Å; P318-R320 PolarHBondContact O-N 3.05Å
319S50.3Low55.9Low111 Ų111135.9 Ų135.978%0.77678%0.782SS**  trans-63.4114.9-170.8-172.60000109.6R317 G321R317-S319 VanDerWaalsContact C-N 3.27Å; R317-S319 PolarHBondContact O-N 2.93Å; S319-G321 PolarHBondContact O-N 3.23Å
320R58.1Low54.4Low257 Ų257131.4 Ų131.497%0.9778%0.775SS**THydrogen-bonded Turntrans-71.286.2-162.8-177.4-179.5170.1135.8-4.5111.2P318P318-R320 PolarHBondContact O-N 3.05Å
321G54.3Low53.1Low70 Ų70135.8 Ų135.872%0.72279%0.793SS**THydrogen-bonded Turntrans121.416164.300000117.7S319 R323S319-G321 PolarHBondContact O-N 3.23Å; G321-R323 PolarHBondContact O-N 2.97Å
322G47.9Very low51.8Low72 Ų72133.8 Ų133.874%0.74279%0.792SS**  trans-73.272.9178.100000115.2G324G322-G324 PolarHBondContact O-N 3.14Å
323R53.6Low51Low257 Ų257134.7 Ų134.797%0.9781%0.805SS**  trans-73.762.2171.7-79.4-169.9174179.41.4112.5G321G321-R323 PolarHBondContact O-N 2.97Å
324G45.5Very low50.4Low70 Ų70143.2 Ų143.272%0.72282%0.822SS**  trans-88122.1177.900000113.2G322 G326G322-G324 PolarHBondContact O-N 3.14Å; G324-G326 PolarHBondContact O-N 2.99Å
325R52.2Low49.8Very low253 Ų253142.1 Ų142.196%0.95582%0.817SS**  trans-53.2113.5-173.3-63.8172.7175.6-164.4-1.2115.4
326G53.5Low49.3Very low79 Ų79143.9 Ų143.981%0.81482%0.821SS**  trans43.494.8136.300000120.1G324G324-G326 PolarHBondContact O-N 2.99Å
327A43.6Very low48.6Very low109 Ų109151.4 Ų151.490%0.90183%0.828SS**  trans-89.8115.7153.400000110.1
328R49.8Very low47.9Very low257 Ų257146.8 Ų146.897%0.9783%0.832SS**  trans-92.2125.2163.3-79.8-173.8172.3108.3-7.1108.6
329G41.9Very low47.5Very low83 Ų83150.5 Ų150.586%0.85683%0.829SS**  trans149.7113.7170.500000111.8
330G41.3Very low47.3Very low72 Ų72150.3 Ų150.374%0.74283%0.826SS**  trans156.942-177.200000115.9S332G330-S332 VanDerWaalsContact C-N 3.31Å; G330-S332 PolarHBondContact O-N 3.21Å
331Q48.3Very low46.5Very low188 Ų188145.5 Ų145.588%0.87982%0.818SS**  trans-74.484.2167.6-77.9-177.2-69.500110.2V333Q331-V333 HydrophobicContact CB-CG2 4.49Å; Q331-V333 PolarHBondContact O-N 2.99Å; Q331-V333 VanDerWaalsContact O-N 3.11Å
332S42.2Very low46.1Very low114 Ų114152 Ų15280%0.79782%0.822SS**  trans-83.665.3167.360.10000110.6G330 R334G330-S332 VanDerWaalsContact C-N 3.31Å; G330-S332 PolarHBondContact O-N 3.21Å; S332-R334 VanDerWaalsContact C-N 3.32Å; S332-R334 PolarHBondContact O-N 3.16Å
333V48.5Very low46.1Very low122 Ų122157.3 Ų157.374%0.73983%0.827SS**  trans-7291.4170.8-178.80000108.3Q331Q331-V333 HydrophobicContact CB-CG2 4.49Å; Q331-V333 PolarHBondContact O-N 2.99Å; Q331-V333 VanDerWaalsContact O-N 3.11Å
334R44.3Very low45.7Very low230 Ų230152.7 Ų152.787%0.86881%0.814SS**  trans-106.8115.1164.4-110.6-175.1175.5170.7-0.4108.2S332 E336S332-R334 VanDerWaalsContact C-N 3.32Å; S332-R334 PolarHBondContact O-N 3.16Å; R334-E336 VanDerWaalsContact C-N 3.27Å; R334-E336 PolarHBondContact O-N 3.41Å
335P44.6Very low46Very low119 Ų119157.9 Ų157.977%0.77382%0.82SS**  trans-73.989.1163.230.7-30.7000107.6R337P335-R337 PolarHBondContact O-N 3.09Å
336E45.2Very low46Very low166 Ų166153.2 Ų153.278%0.77681%0.814SS**PPolyproline II helixtrans-63.5131.7164-174.5163.8-164.200108.1R334 A338R334-E336 VanDerWaalsContact C-N 3.27Å; R334-E336 PolarHBondContact O-N 3.41Å; E336-A338 PolarHBondContact O-N 3.17Å; E336-A338 VanDerWaalsContact O-N 3.17Å
337R41.9Very low46.3Very low228 Ų228157.4 Ų157.486%0.8681%0.812SS**PPolyproline II helixtrans-64.1119.9-179.5-78.4176.6168.1157.4-5.7108.6P335 R339P335-R337 PolarHBondContact O-N 3.09Å; R337-R339 PolarHBondContact O-N 2.85Å
338A42.9Very low47.3Very low98 Ų98159.5 Ų159.581%0.8181%0.805SS**PPolyproline II helixtrans-51.6116.4163.700000108.4E336E336-A338 PolarHBondContact O-N 3.17Å; E336-A338 VanDerWaalsContact O-N 3.17Å
339R48.4Very low48.5Very low205 Ų205150.9 Ų150.977%0.77479%0.789SS**PPolyproline II helixtrans-67.2147.2163.8-57.9-177.6-170.4-164.33.6106.5R337 I341R337-R339 PolarHBondContact O-N 2.85Å; R339-I341 PolarHBondContact O-N 3.13Å
340P44.7Very low50.4Low108 Ų108149.3 Ų149.370%0.70176%0.763SS**PPolyproline II helixtrans-55.4130.3171.425.3-33.4000108.3Y342P340-Y342 PolarHBondContact O-N 3.48Å
341I41Very low52.2Low156 Ų156150.5 Ų150.580%0.875%0.753SS**  trans-65105168.3-64.2164.7000104.8R339 E343R339-I341 PolarHBondContact O-N 3.13Å; I341-E343 PolarHBondContact O-N 2.84Å
342Y46.3Very low53.7Low206 Ų206146.5 Ų146.581%0.80874%0.743SS**  trans-64.1128.1148.2-84.3-92.2000105.5P340 K344P340-Y342 PolarHBondContact O-N 3.48Å; Y342-K344 PolarHBondContact O-N 3.44Å
343E48.3Very low55.5Low184 Ų184148.8 Ų148.886%0.8675%0.747SS**  trans-61.191.4167.7-68.8165.3160.700106.7I341 E345I341-E343 PolarHBondContact O-N 2.84Å; E343-E345 PolarHBondContact O-N 3.2Å
344K46Very low57Low159 Ų159147 Ų14769%0.69173%0.733SS**  trans-63.6117.2149.5-87.3-172.2144-133.90104.5Y342 D346 E347Y342-K344 PolarHBondContact O-N 3.44Å; K344-D346 PolarHBondContact O-N 2.78Å; K344-E347 IonicContact NZ-OE1 2.97Å; K344-E347 PolarHBondContact NZ-OE1 2.74Å; K344-E347 VanDerWaalsContact NZ-OE1 3.11Å
345E51.5Low58.5Low180 Ų180141.2 Ų141.284%0.84173%0.725SS**  trans-40.5129.3166.9-67.2141.2179.700108.5E343 E347E343-E345 PolarHBondContact O-N 3.2Å; E345-E347 PolarHBondContact O-N 3.16Å
346D51.3Low60.1Low155 Ų155144.2 Ų144.283%0.82973%0.729SS**  trans-53.5126-176.3-70.9-75.1000109.1K344 M348K344-D346 PolarHBondContact O-N 2.78Å; D346-M348 PolarHBondContact O-N 2.76Å
347E59.4Low62Low167 Ų167140.4 Ų140.478%0.7871%0.714SS**  trans-71.371.7175.6-71.6172.8-167.900108.2K344 E345K344-E347 IonicContact NZ-OE1 2.97Å; K344-E347 PolarHBondContact NZ-OE1 2.74Å; K344-E347 VanDerWaalsContact NZ-OE1 3.11Å; E345-E347 PolarHBondContact O-N 3.16Å
348M65.4Low63.9Low152 Ų152134.4 Ų134.475%0.74969%0.694SS**PPolyproline II helixtrans-54.7142.2173-163.869.5172.500108.5D346D346-M348 PolarHBondContact O-N 2.76Å
349A75.4Confident65.7Low77 Ų77135.1 Ų135.164%0.63669%0.69SS**PPolyproline II helixtrans-65.7131.7172.700000108.5D351A349-D351 PolarHBondContact O-N 3.01Å
350P80.7Confident67Low49 Ų49129.4 Ų129.432%0.31869%0.687SS.*PPolyproline II helixtrans-52.6133.8-178.3-31.336.5000112.9D357 F358P350-D357 WeakPolarHBondContact CA-OD2 3.32Å; P350-F358 HydrophobicContact CB-CD1 4.09Å; P350-F358 HydrophobicContact CB-CD2 4.4Å; P350-F358 HydrophobicContact CB-CE1 4.12Å; P350-F358 HydrophobicContact CB-CE2 4.42Å; P350-F358 HydrophobicContact CB-CG 4.23Å; P350-F358 HydrophobicContact CB-CZ 4.28Å
351D80.6Confident67.8Low98 Ų98132.3 Ų132.352%0.52470%0.696SS.*PPolyproline II helixtrans-67.1122.7-172.5-95.9-29.4000110.3A349 D353 D354 D357 F358A349-D351 PolarHBondContact O-N 3.01Å; D351-D353 PolarHBondContact O-N 3.21Å; D351-D354 PolarHBondContact O-N 2.82Å; D351-D354 VanDerWaalsContact O-N 3.14Å; D351-D357 PolarHBondContact N-OD2 3.47Å; D351-F358 WeakPolarHBondContact O-CE2 3.19Å
352P78.7Confident68.8Low104 Ų104131.3 Ų131.368%0.67570%0.697SS**THydrogen-bonded Turntrans-68.9-11.5-168.328.1-36.6000114.7
353D79.5Confident69.2Low162 Ų162126 Ų12687%0.86670%0.696SS**THydrogen-bonded Turntrans-97.1-9.4179.2-69.5-45.9000113.3D351D351-D353 PolarHBondContact O-N 3.21Å
354D81.3Confident69.6Low83 Ų83121 Ų12144%0.44469%0.694SS.*  trans-112.2113.8176.8-161.6-41.3000111.9D351 E356 D357 F358D351-D354 PolarHBondContact O-N 2.82Å; D351-D354 VanDerWaalsContact O-N 3.14Å; D354-E356 VanDerWaalsContact C-N 3.27Å; D354-E356 PolarHBondContact O-N 2.83Å; D354-E356 PolarHBondContact OD1-N 2.79Å; D354-D357 HydrophobicContact CB-CB 4.4Å; D354-F358 WeakPolarHBondContact O-CD2 3.48Å
355P75.5Confident69.5Low109 Ų109127 Ų12771%0.70872%0.72SS**THydrogen-bonded Turntrans-74.2-9.7-177.832.1-36.6000114.7
356E77.6Confident70.4Confident183 Ų183124.4 Ų124.486%0.85571%0.714SS**THydrogen-bonded Turntrans-91-18.4177.3-63.2-163.9176.300113.5D354D354-E356 VanDerWaalsContact C-N 3.27Å; D354-E356 PolarHBondContact O-N 2.83Å; D354-E356 PolarHBondContact OD1-N 2.79Å
357D85.8Confident71.4Confident86 Ų86122.7 Ų122.746%0.4671%0.708SS.*THydrogen-bonded Turntrans-78.2-22.5178.5-164.640.2000112.7P350 D351 D354P350-D357 WeakPolarHBondContact CA-OD2 3.32Å; D351-D357 PolarHBondContact N-OD2 3.47Å; D354-D357 HydrophobicContact CB-CB 4.4Å
358F82.6Confident72Confident102 Ų102120.3 Ų120.345%0.44770%0.704SS.*SBendtrans-68.3132.5169.2-74.4-88.8000110.7P350 D351 D354 A360P350-F358 HydrophobicContact CB-CD1 4.09Å; P350-F358 HydrophobicContact CB-CD2 4.4Å; P350-F358 HydrophobicContact CB-CE1 4.12Å; P350-F358 HydrophobicContact CB-CE2 4.42Å; P350-F358 HydrophobicContact CB-CG 4.23Å; P350-F358 HydrophobicContact CB-CZ 4.28Å; D351-F358 WeakPolarHBondContact O-CE2 3.19Å; D354-F358 WeakPolarHBondContact O-CD2 3.48Å; F358-A360 PolarHBondContact O-N 3.32Å
359P79.4Confident72.4Confident112 Ų112118.4 Ų118.473%0.72770%0.701SS**  trans-6790.7-177.326.3-34.8000111.5L361P359-L361 PolarHBondContact O-N 3.05Å
360A77.1Confident72.2Confident86 Ų86121 Ų12171%0.71171%0.705SS**  trans-63125.1-173.500000111.7F358 T362F358-A360 PolarHBondContact O-N 3.32Å; A360-T362 PolarHBondContact O-N 2.7Å
361L59.7Low71.7Confident169 Ų169125.8 Ų125.889%0.88573%0.731SS**  trans-66.1105.3172.9-66.3177.7000109.2P359 A363P359-L361 PolarHBondContact O-N 3.05Å; L361-A363 PolarHBondContact O-N 3.41Å
362T62Low71Confident135 Ų135127.8 Ų127.883%0.82875%0.746SS**  trans-60.1104.4176.955.90000109.8A360 G364A360-T362 PolarHBondContact O-N 2.7Å; T362-G364 PolarHBondContact O-N 2.83Å
363A54.7Low70.4Confident94 Ų94129.6 Ų129.678%0.77775%0.751SS**  trans-57.3121.7177.200000109.8L361L361-A363 PolarHBondContact O-N 3.41Å
364G57.5Low69.7Low80 Ų80126.9 Ų126.983%0.82574%0.742SS**  trans-60.8139.2-176.600000112.3T362T362-G364 PolarHBondContact O-N 2.83Å
365K43Very low68.6Low284 Ų284130.9 Ų130.9100%1.23577%0.769SS**  trans-90.40170.5-67.9179177.7174.20110.9

Retrieved 365 of 365 residues in 67.9 ms (Link to these results)