A0A077ZIR1_TRITR Loading...

Wzz domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M33.6Very low44.7Very low243 Ų243144.3 Ų144.3100%1.19782%0.816SS**  0112.90-75.3-178.217200107.2
2P40.7Very low45.5Very low135 Ų135146.4 Ų146.488%0.87781%0.814SS**  trans-90.1146-161.434.4-32.2000112.8
3G43.4Very low46.5Very low65 Ų65146.3 Ų146.367%0.6781%0.81SS**  trans72.980.314300000116.3P5G3-P5 WeakPolarHBondContact O-CD 3.33Å
4K38.7Very low48.5Very low214 Ų214143.9 Ų143.993%0.9380%0.795SS**  trans-63.4107152.6-139.5177.4-175.5-176.30105.8A6K4-A6 PolarHBondContact O-N 3.32Å
5P45.2Very low50.5Low117 Ų117142.4 Ų142.476%0.7678%0.784SS**  trans-68.8135.6179.8-6.123.6000107.4G3 E7G3-P5 WeakPolarHBondContact O-CD 3.33Å; P5-E7 PolarHBondContact O-N 2.98Å
6A45.7Very low52.2Low70 Ų70146.3 Ų146.358%0.57978%0.783SS**  trans-51130.6-179.600000111.3K4 D8K4-A6 PolarHBondContact O-N 3.32Å; A6-D8 HydrophobicContact CB-CB 4.22Å; A6-D8 WeakPolarHBondContact CB-OD2 3.38Å; A6-D8 PolarHBondContact O-N 2.81Å
7E48.8Very low53.7Low184 Ų184138.4 Ų138.486%0.8674%0.744SS**G310 helixtrans-61.923.2167.2-92.7174.7147.100113.1P5 A9P5-E7 PolarHBondContact O-N 2.98Å; E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 3.24Å
8D46Very low55Low141 Ų141135.1 Ų135.175%0.75473%0.726SS**G310 helixtrans-87.4-0.8-173.9-66.8-27.5000113.1A6A6-D8 HydrophobicContact CB-CB 4.22Å; A6-D8 WeakPolarHBondContact CB-OD2 3.38Å; A6-D8 PolarHBondContact O-N 2.81Å
9A47.1Very low56.4Low81 Ų81135.4 Ų135.467%0.66972%0.72SS**G310 helixtrans-95.3-14.5-177.900000115E7 N11E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 3.24Å; A9-N11 VanDerWaalsContact C-N 3.35Å
10E49.7Very low57.6Low183 Ų183138.6 Ų138.686%0.85572%0.721SS**THydrogen-bonded Turntrans-85-7.8-175.9-67.6-164.5167.100114.2
11N53Low58.6Low154 Ų154132.7 Ų132.782%0.82469%0.692SS**THydrogen-bonded Turntrans-102.512.7177.9-107.3-7.5000114.1A9 L13A9-N11 VanDerWaalsContact C-N 3.35Å; N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 3.15Å
12E53.8Low60.9Low170 Ų170123.5 Ų123.579%0.79465%0.647SS**SBendtrans-6795.3166.2-164.3172.8-171.100107.7D14E12-D14 PolarHBondContact O-N 3.05Å
13L58.9Low63Low145 Ų145125.1 Ų125.176%0.75964%0.636SS**  trans-42.4103174-92.8144.7000109.2N11 I15N11-L13 VanDerWaalsContact C-N 3.29Å; N11-L13 PolarHBondContact O-N 3.15Å; L13-I15 HydrophobicContact CB-CG1 4.29Å; L13-I15 WeakPolarHBondContact O-CG1 3.44Å; L13-I15 PolarHBondContact O-N 3.32Å
14D75.2Confident64.9Low112 Ų112126.2 Ų126.260%0.59964%0.638SS**  trans-71.175.9176.2-179.714.3000109.8E12 R16 G17 L18E12-D14 PolarHBondContact O-N 3.05Å; D14-R16 PolarHBondContact O-N 3.01Å; D14-R16 PolarHBondContact OD1-N 3Å; D14-G17 PolarHBondContact O-N 2.79Å; D14-G17 PolarHBondContact OD1-N 3.28Å; D14-G17 WeakPolarHBondContact OD2-CA 3.24Å; D14-G17 PolarHBondContact OD2-N 3.12Å; D14-L18 WeakPolarHBondContact O-CB 3.35Å; D14-L18 PolarHBondContact O-N 3.01Å
15I77.5Confident67.1Low122 Ų122116.4 Ų116.463%0.62660%0.598SS**Hα-helixtrans-60.5-33.5-179.4-67.7163.6000110.2L13 F19L13-I15 HydrophobicContact CB-CG1 4.29Å; L13-I15 WeakPolarHBondContact O-CG1 3.44Å; L13-I15 PolarHBondContact O-N 3.32Å; I15-F19 PolarHBondContact O-N 3.22Å
16R77.9Confident69.2Low205 Ų205115.3 Ų115.377%0.77458%0.582SS**Hα-helixtrans-71.8-44.1-179.8-70.8-176.6179.6179.71.6111.3D14 L18 F19 R20D14-R16 PolarHBondContact O-N 3.01Å; D14-R16 PolarHBondContact OD1-N 3Å; R16-L18 VanDerWaalsContact C-N 3.33Å; R16-F19 PolarHBondContact O-N 2.82Å; R16-R20 WeakPolarHBondContact O-CG 3.27Å; R16-R20 PolarHBondContact O-N 3.21Å; R16-R20 VanDerWaalsContact O-N 3.17Å
17G77.6Confident71.3Confident12 Ų12118.6 Ų118.612%0.12459%0.589CS.*Hα-helixtrans-58.6-46.3172.500000111.4D14 F19 R20 T21D14-G17 PolarHBondContact O-N 2.79Å; D14-G17 PolarHBondContact OD1-N 3.28Å; D14-G17 WeakPolarHBondContact OD2-CA 3.24Å; D14-G17 PolarHBondContact OD2-N 3.12Å; G17-F19 PolarHBondContact O-N 3.01Å; G17-R20 PolarHBondContact O-N 2.94Å; G17-T21 WeakPolarHBondContact O-CG2 3.46Å; G17-T21 PolarHBondContact O-N 3.3Å; G17-T21 PolarHBondContact O-OG1 3.46Å
18L77.6Confident73.2Confident79 Ų79115.6 Ų115.641%0.41457%0.57SS.*Hα-helixtrans-58.4-43.8176.9-169.977.1000112.5D14 R16 R20 T21 L22 L338D14-L18 WeakPolarHBondContact O-CB 3.35Å; D14-L18 PolarHBondContact O-N 3.01Å; R16-L18 VanDerWaalsContact C-N 3.33Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 3.31Å; L18-T21 WeakPolarHBondContact CA-OG1 3.13Å; L18-T21 PolarHBondContact O-N 2.98Å; L18-T21 PolarHBondContact O-OG1 3.36Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 WeakPolarHBondContact O-CB 3.39Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3.03Å; L18-L338 HydrophobicContact CD1-CD1 4.31Å; L18-L338 HydrophobicContact CD1-CD2 3.84Å
19F80.7Confident75.3Confident140 Ų140111 Ų11161%0.61455%0.545SS*.Hα-helixtrans-65.4-39.5179.2-161.1-95.7000111.9I15 R16 G17 W23I15-F19 PolarHBondContact O-N 3.22Å; R16-F19 PolarHBondContact O-N 2.82Å; G17-F19 PolarHBondContact O-N 3.01Å; F19-W23 VanDerWaalsContact O-CB 3.31Å; F19-W23 WeakPolarHBondContact O-CB 3.32Å; F19-W23 PolarHBondContact O-N 3.04Å
20R81.5Confident77.5Confident199 Ų199112.4 Ų112.475%0.75154%0.54SS*.Hα-helixtrans-65.6-40.2176.3-71.5178.1178.6-177.90.1112.2R16 G17 L18 W23 A24R16-R20 WeakPolarHBondContact O-CG 3.27Å; R16-R20 PolarHBondContact O-N 3.21Å; R16-R20 VanDerWaalsContact O-N 3.17Å; G17-R20 PolarHBondContact O-N 2.94Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 3.31Å; R20-W23 PolarHBondContact O-N 3.25Å; R20-A24 WeakPolarHBondContact O-CB 3.37Å; R20-A24 PolarHBondContact O-N 2.92Å
21T79.4Confident79.5Confident16 Ų16105.6 Ų105.610%0.09852%0.519CS..Hα-helixtrans-66.6-45.3177.952.50000111.9G17 L18 W23 A24 G25 L338G17-T21 WeakPolarHBondContact O-CG2 3.46Å; G17-T21 PolarHBondContact O-N 3.3Å; G17-T21 PolarHBondContact O-OG1 3.46Å; L18-T21 WeakPolarHBondContact CA-OG1 3.13Å; L18-T21 PolarHBondContact O-N 2.98Å; L18-T21 PolarHBondContact O-OG1 3.36Å; T21-W23 VanDerWaalsContact C-N 3.32Å; T21-W23 PolarHBondContact O-N 3.13Å; T21-A24 PolarHBondContact O-N 3.04Å; T21-G25 PolarHBondContact O-N 3.22Å; T21-L338 WeakPolarHBondContact OG1-CD2 3.47Å
22L81.9Confident81.5Confident50 Ų50101 Ų10126%0.26249%0.493SS..Hα-helixtrans-62-40.4175.7-69.5171.9000111.7L18 G25 K26 I29 A334L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 WeakPolarHBondContact O-CB 3.39Å; L18-L22 VanDerWaalsContact O-CG 3.32Å; L18-L22 WeakPolarHBondContact O-CG 3.28Å; L18-L22 PolarHBondContact O-N 3.03Å; L22-G25 CarbonylContact O-C 3.48Å; L22-G25 PolarHBondContact O-N 2.89Å; L22-K26 PolarHBondContact O-N 3.08Å; L22-K26 VanDerWaalsContact O-N 3.11Å; L22-I29 HydrophobicContact CB-CD1 4.34Å; L22-I29 HydrophobicContact CD2-CD1 3.98Å; L22-A334 HydrophobicContact CD2-CB 3.64Å
23W84Confident83.5Confident168 Ų16893.3 Ų93.364%0.63646%0.459SS*.Hα-helixtrans-64.9-41.2176.6-169.8-99.7000112.9F19 R20 T21 G25 K26F19-W23 VanDerWaalsContact O-CB 3.31Å; F19-W23 WeakPolarHBondContact O-CB 3.32Å; F19-W23 PolarHBondContact O-N 3.04Å; R20-W23 PolarHBondContact O-N 3.25Å; T21-W23 VanDerWaalsContact C-N 3.32Å; T21-W23 PolarHBondContact O-N 3.13Å; W23-G25 VanDerWaalsContact C-N 3.25Å; W23-G25 PolarHBondContact O-N 3.26Å; W23-K26 WeakPolarHBondContact O-CB 3.32Å; W23-K26 WeakPolarHBondContact O-CG 3.35Å; W23-K26 PolarHBondContact O-N 3.33Å
24A84.1Confident85.3Confident88 Ų8891.4 Ų91.473%0.72745%0.449SS*.Hα-helixtrans-64.5-33.1173.700000111.9R20 T21R20-A24 WeakPolarHBondContact O-CB 3.37Å; R20-A24 PolarHBondContact O-N 2.92Å; T21-A24 PolarHBondContact O-N 3.04Å
25G83.4Confident86.3Confident8 Ų888 Ų888%0.08244%0.437CS..THydrogen-bonded Turntrans-84.75.2177.400000116T21 L22 W23 L27 W28 I29T21-G25 PolarHBondContact O-N 3.22Å; L22-G25 CarbonylContact O-C 3.48Å; L22-G25 PolarHBondContact O-N 2.89Å; W23-G25 VanDerWaalsContact C-N 3.25Å; W23-G25 PolarHBondContact O-N 3.26Å; G25-L27 PolarHBondContact O-N 3Å; G25-W28 WeakPolarHBondContact O-CB 3.36Å; G25-W28 PolarHBondContact O-N 2.86Å; G25-I29 PolarHBondContact O-N 3.36Å
26K89.3Confident87.2Confident95 Ų9584.3 Ų84.341%0.41342%0.416SS..Hα-helixtrans-53-33.9-170.668-174.3178.3-177.50114.9L22 W23 W28 I29 I30L22-K26 PolarHBondContact O-N 3.08Å; L22-K26 VanDerWaalsContact O-N 3.11Å; W23-K26 WeakPolarHBondContact O-CB 3.32Å; W23-K26 WeakPolarHBondContact O-CG 3.35Å; W23-K26 PolarHBondContact O-N 3.33Å; K26-W28 VanDerWaalsContact C-N 3.34Å; K26-W28 PolarHBondContact O-N 2.99Å; K26-I29 PolarHBondContact O-N 3.42Å; K26-I30 WeakPolarHBondContact O-CB 3.28Å; K26-I30 VanDerWaalsContact O-CG1 3.26Å; K26-I30 WeakPolarHBondContact O-CG1 3.33Å; K26-I30 PolarHBondContact O-N 3.35Å
27L89.5Confident88.1Confident139 Ų13975.3 Ų75.373%0.72839%0.386SS*.Hα-helixtrans-66.3-35.6177.6-68.3174.3000112.3G25 G31G25-L27 PolarHBondContact O-N 3Å; L27-G31 WeakPolarHBondContact O-CA 3.36Å; L27-G31 PolarHBondContact O-N 3.35Å
28W89.3Confident89Confident121 Ų12179.3 Ų79.346%0.45840%0.404SS..Hα-helixtrans-70.1-43175.3-77.197.7000111.4G25 K26 M32 V336 R340G25-W28 WeakPolarHBondContact O-CB 3.36Å; G25-W28 PolarHBondContact O-N 2.86Å; K26-W28 VanDerWaalsContact C-N 3.34Å; K26-W28 PolarHBondContact O-N 2.99Å; W28-M32 WeakPolarHBondContact O-CB 3.3Å; W28-M32 PolarHBondContact O-N 3.34Å; W28-V336 HydrophobicContact CD2-CG1 4.26Å; W28-V336 HydrophobicContact CE3-CG1 4.02Å; W28-R340 VanDerWaalsContact CE2-NH1 3.25Å
29I90.2Very high89.8Confident45 Ų4580.8 Ų80.823%0.23141%0.411CS..Hα-helixtrans-60.5-52.7177-59.8172.8000110.2L22 G25 K26 G33 A334L22-I29 HydrophobicContact CB-CD1 4.34Å; L22-I29 HydrophobicContact CD2-CD1 3.98Å; G25-I29 PolarHBondContact O-N 3.36Å; K26-I29 PolarHBondContact O-N 3.42Å; I29-G33 PolarHBondContact O-N 3.42Å; I29-A334 HydrophobicContact CD1-CB 4.18Å; I29-A334 HydrophobicContact CG1-CB 4.11Å
30I92.5Very high90.4Very high110 Ų11074.4 Ų74.456%0.56438%0.384SS*.Hα-helixtrans-66.6-45.1-179-65.8166.4000110.9K26 G33 L34K26-I30 WeakPolarHBondContact O-CB 3.28Å; K26-I30 VanDerWaalsContact O-CG1 3.26Å; K26-I30 WeakPolarHBondContact O-CG1 3.33Å; K26-I30 PolarHBondContact O-N 3.35Å; I30-G33 PolarHBondContact O-N 3.37Å; I30-L34 VanDerWaalsContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CB 3.39Å; I30-L34 PolarHBondContact O-N 2.93Å
31G93.5Very high91Very high40 Ų4067.1 Ų67.141%0.41236%0.36SS..Hα-helixtrans-62.9-44.7-178.900000112.5L27 L34 A35L27-G31 WeakPolarHBondContact O-CA 3.36Å; L27-G31 PolarHBondContact O-N 3.35Å; G31-L34 PolarHBondContact O-N 3.16Å; G31-A35 WeakPolarHBondContact O-CB 3.34Å; G31-A35 PolarHBondContact O-N 3.34Å
32M94Very high91.7Very high57 Ų5768.6 Ų68.628%0.28137%0.374SS..Hα-helixtrans-71.2-39.4178.7-162.766.815500111.7W28 A35 F36 G329 I332W28-M32 WeakPolarHBondContact O-CB 3.3Å; W28-M32 PolarHBondContact O-N 3.34Å; M32-A35 PolarHBondContact O-N 3.31Å; M32-F36 HydrophobicContact CE-CD2 4.38Å; M32-F36 HydrophobicContact CE-CE2 3.42Å; M32-F36 VanDerWaalsContact CE-CE2 3.42Å; M32-F36 HydrophobicContact CE-CZ 3.99Å; M32-F36 HydrophobicContact CG-CD2 4.09Å; M32-F36 HydrophobicContact CG-CE2 4Å; M32-F36 VanDerWaalsContact O-CD2 3.29Å; M32-F36 WeakPolarHBondContact O-CD2 3.35Å; M32-F36 PolarHBondContact O-N 3.47Å; M32-F36 HydrophobicContact SD-CD2 4.06Å; M32-F36 HydrophobicContact SD-CE2 3.64Å; M32-G329 VanDerWaalsContact CB-O 3.26Å; M32-G329 WeakPolarHBondContact CB-O 3.34Å; M32-G329 WeakPolarHBondContact CG-O 3.17Å; M32-I332 HydrophobicContact CE-CB 4.49Å; M32-I332 HydrophobicContact CE-CG2 3.61Å; M32-I332 HydrophobicContact CG-CB 4.38Å; M32-I332 HydrophobicContact CG-CG2 4.32Å
33G95.8Very high92.2Very high9 Ų973.5 Ų73.59%0.09339%0.39CS..Hα-helixtrans-59.2-46.9172.100000112.3I29 I30 F36 A37 G326I29-G33 PolarHBondContact O-N 3.42Å; I30-G33 PolarHBondContact O-N 3.37Å; G33-F36 PolarHBondContact O-N 2.95Å; G33-A37 WeakPolarHBondContact O-CB 3.44Å; G33-A37 PolarHBondContact O-N 2.86Å; G33-G326 VanDerWaalsContact CA-O 3.26Å; G33-G326 WeakPolarHBondContact CA-O 3.42Å; G33-G326 WeakPolarHBondContact O-CA 3.28Å
34L96.2Very high92.5Very high105 Ų10565.6 Ų65.655%0.5536%0.36SS..Hα-helixtrans-64-42.8176.9-174.464.6000111.8I30 G31 F36 A37 L38I30-L34 VanDerWaalsContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CB 3.39Å; I30-L34 PolarHBondContact O-N 2.93Å; G31-L34 PolarHBondContact O-N 3.16Å; L34-F36 PolarHBondContact O-N 3.3Å; L34-A37 PolarHBondContact O-N 2.85Å; L34-L38 HydrophobicContact CD1-CG 4.5Å; L34-L38 HydrophobicContact CG-CD1 4.2Å; L34-L38 WeakPolarHBondContact O-CB 3.45Å; L34-L38 WeakPolarHBondContact O-CG 3.21Å; L34-L38 PolarHBondContact O-N 3.1Å
35A96.3Very high92.8Very high40 Ų4067.5 Ų67.533%0.33135%0.352SS..Hα-helixtrans-59.7-47.3178.200000111.9G31 M32 L38 I39G31-A35 WeakPolarHBondContact O-CB 3.34Å; G31-A35 PolarHBondContact O-N 3.34Å; M32-A35 PolarHBondContact O-N 3.31Å; A35-L38 PolarHBondContact O-N 3.25Å; A35-I39 VanDerWaalsContact O-CG1 3.31Å; A35-I39 WeakPolarHBondContact O-CG1 3.29Å; A35-I39 PolarHBondContact O-N 3.31Å
36F97.1Very high93.1Very high44 Ų4475.8 Ų75.819%0.19339%0.386CS..Hα-helixtrans-67.8-37.6179-83.2-122.2000112M32 G33 L34 L38 I39 A40 W325 V328 I332M32-F36 HydrophobicContact CE-CD2 4.38Å; M32-F36 HydrophobicContact CE-CE2 3.42Å; M32-F36 VanDerWaalsContact CE-CE2 3.42Å; M32-F36 HydrophobicContact CE-CZ 3.99Å; M32-F36 HydrophobicContact CG-CD2 4.09Å; M32-F36 HydrophobicContact CG-CE2 4Å; M32-F36 VanDerWaalsContact O-CD2 3.29Å; M32-F36 WeakPolarHBondContact O-CD2 3.35Å; M32-F36 PolarHBondContact O-N 3.47Å; M32-F36 HydrophobicContact SD-CD2 4.06Å; M32-F36 HydrophobicContact SD-CE2 3.64Å; G33-F36 PolarHBondContact O-N 2.95Å; L34-F36 PolarHBondContact O-N 3.3Å; F36-L38 VanDerWaalsContact C-N 3.34Å; F36-L38 PolarHBondContact O-N 3.08Å; F36-I39 PolarHBondContact O-N 2.98Å; F36-A40 WeakPolarHBondContact O-CB 3.37Å; F36-A40 PolarHBondContact O-N 2.97Å; F36-W325 HydrophobicContact CB-CB 4.48Å; F36-W325 WeakPolarHBondContact CB-O 3.42Å; F36-W325 AromaticContact CD1-CE3 3.87Å; F36-W325 HydrophobicContact CD1-CE3 3.87Å; F36-W325 HydrophobicContact CD1-CZ3 4.23Å; F36-W325 HydrophobicContact CE1-CE3 4.49Å; F36-W325 HydrophobicContact CE1-CZ3 4.42Å; F36-V328 HydrophobicContact CD1-CG1 4.4Å; F36-V328 HydrophobicContact CE1-CG1 4.49Å; F36-I332 HydrophobicContact CE1-CD1 3.69Å; F36-I332 HydrophobicContact CZ-CD1 3.75Å
37A95.9Very high93.1Very high17 Ų1772.1 Ų72.114%0.1437%0.374CS..Hα-helixtrans-61.9-41.1173.100000112G33 L34 A40 L41 M322G33-A37 WeakPolarHBondContact O-CB 3.44Å; G33-A37 PolarHBondContact O-N 2.86Å; L34-A37 PolarHBondContact O-N 2.85Å; A37-A40 PolarHBondContact O-N 2.83Å; A37-L41 WeakPolarHBondContact O-CB 3.25Å; A37-L41 PolarHBondContact O-N 3.48Å; A37-M322 HydrophobicContact CB-CB 4.33Å
38L96.1Very high93Very high95 Ų9570.4 Ų70.450%0.49736%0.358SS..Hα-helixtrans-68.2-39176.4-72.3174.8000112.6L34 A35 F36 A40 L41 A42L34-L38 HydrophobicContact CD1-CG 4.5Å; L34-L38 HydrophobicContact CG-CD1 4.2Å; L34-L38 WeakPolarHBondContact O-CB 3.45Å; L34-L38 WeakPolarHBondContact O-CG 3.21Å; L34-L38 PolarHBondContact O-N 3.1Å; A35-L38 PolarHBondContact O-N 3.25Å; F36-L38 VanDerWaalsContact C-N 3.34Å; F36-L38 PolarHBondContact O-N 3.08Å; L38-A40 VanDerWaalsContact C-N 3.35Å; L38-L41 HydrophobicContact CD2-CD2 4.49Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-A42 WeakPolarHBondContact O-CB 3.33Å; L38-A42 PolarHBondContact O-N 2.93Å
39I95.2Very high93.1Very high111 Ų11168.3 Ų68.357%0.56935%0.353SS*.Hα-helixtrans-61.6-45.2173.3-68.7165000110.3A35 F36 L41 A42 Y43A35-I39 VanDerWaalsContact O-CG1 3.31Å; A35-I39 WeakPolarHBondContact O-CG1 3.29Å; A35-I39 PolarHBondContact O-N 3.31Å; F36-I39 PolarHBondContact O-N 2.98Å; I39-L41 VanDerWaalsContact C-N 3.33Å; I39-L41 PolarHBondContact O-N 2.94Å; I39-A42 WeakPolarHBondContact O-CB 3.43Å; I39-A42 PolarHBondContact O-N 3.44Å; I39-Y43 PolarHBondContact O-N 2.87Å
40A93.5Very high93.4Very high6 Ų670 Ų705%0.0536%0.359CS..Hα-helixtrans-61.7-41.6176.100000111.7F36 A37 L38 Y43 T44 W325F36-A40 WeakPolarHBondContact O-CB 3.37Å; F36-A40 PolarHBondContact O-N 2.97Å; A37-A40 PolarHBondContact O-N 2.83Å; L38-A40 VanDerWaalsContact C-N 3.35Å; A40-Y43 PolarHBondContact O-N 3.45Å; A40-T44 WeakPolarHBondContact O-CG2 3.2Å; A40-T44 PolarHBondContact O-N 2.87Å; A40-T44 VanDerWaalsContact O-N 3.12Å; A40-W325 HydrophobicContact CB-CB 3.71Å; A40-W325 HydrophobicContact CB-CG 3.74Å
41L93.7Very high93.6Very high46 Ų4667 Ų6724%0.24134%0.341CS..Hα-helixtrans-60.5-46.6174.6-17960.4000111.4A37 L38 I39 Y43 T44 F45 R318 M322A37-L41 WeakPolarHBondContact O-CB 3.25Å; A37-L41 PolarHBondContact O-N 3.48Å; L38-L41 HydrophobicContact CD2-CD2 4.49Å; L38-L41 WeakPolarHBondContact O-CB 3.48Å; L38-L41 PolarHBondContact O-N 3.42Å; I39-L41 VanDerWaalsContact C-N 3.33Å; I39-L41 PolarHBondContact O-N 2.94Å; L41-Y43 PolarHBondContact O-N 2.83Å; L41-T44 WeakPolarHBondContact O-CB 3.36Å; L41-T44 PolarHBondContact O-N 2.85Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 3.01Å; L41-F45 HydrophobicContact CD1-CE2 4.1Å; L41-F45 HydrophobicContact CD1-CZ 4.47Å; L41-F45 HydrophobicContact CG-CE2 3.98Å; L41-F45 WeakPolarHBondContact O-CD2 3.46Å; L41-R318 HydrophobicContact CD1-CG 4.18Å; L41-M322 HydrophobicContact CB-CG 4.1Å; L41-M322 HydrophobicContact CB-SD 3.9Å; L41-M322 HydrophobicContact CD1-SD 3.89Å; L41-M322 HydrophobicContact CD2-SD 4.04Å; L41-M322 HydrophobicContact CG-SD 4.15Å
42A93.4Very high93.8Very high47 Ų4765.9 Ų65.939%0.38833%0.327SS..Hα-helixtrans-57.3-47.6176.600000111.5L38 I39 T44 F45 F46L38-A42 WeakPolarHBondContact O-CB 3.33Å; L38-A42 PolarHBondContact O-N 2.93Å; I39-A42 WeakPolarHBondContact O-CB 3.43Å; I39-A42 PolarHBondContact O-N 3.44Å; A42-T44 VanDerWaalsContact C-N 3.25Å; A42-T44 PolarHBondContact O-N 3.11Å; A42-F45 PolarHBondContact O-N 2.9Å; A42-F45 VanDerWaalsContact O-N 3.09Å; A42-F46 VanDerWaalsContact O-CD2 3.26Å; A42-F46 WeakPolarHBondContact O-CD2 3.23Å
43Y92.6Very high94Very high152 Ų15263.3 Ų63.360%0.59632%0.315SS*.Hα-helixtrans-55.7-38.7175.3172.5-100000112.6I39 A40 L41 F45 F46 A47I39-Y43 PolarHBondContact O-N 2.87Å; A40-Y43 PolarHBondContact O-N 3.45Å; L41-Y43 PolarHBondContact O-N 2.83Å; Y43-F45 PolarHBondContact O-N 3.17Å; Y43-F45 VanDerWaalsContact O-N 3.09Å; Y43-F46 PolarHBondContact O-N 3.02Å; Y43-A47 HydrophobicContact CD1-CB 4.38Å; Y43-A47 HydrophobicContact CE1-CB 3.89Å; Y43-A47 PolarHBondContact O-N 3.45Å
44T90.9Very high94.1Very high2 Ų264.3 Ų64.31%0.01232%0.319CS..Hα-helixtrans-66.6-10.518076.40000115.3A40 L41 A42 P316 R318 L321A40-T44 WeakPolarHBondContact O-CG2 3.2Å; A40-T44 PolarHBondContact O-N 2.87Å; A40-T44 VanDerWaalsContact O-N 3.12Å; L41-T44 WeakPolarHBondContact O-CB 3.36Å; L41-T44 PolarHBondContact O-N 2.85Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 3.01Å; A42-T44 VanDerWaalsContact C-N 3.25Å; A42-T44 PolarHBondContact O-N 3.11Å; T44-P316 HydrophobicContact CG2-CB 4.14Å; T44-P316 HydrophobicContact CG2-CG 4.25Å; T44-R318 HydrophobicContact CG2-CG 3.81Å; T44-R318 VanDerWaalsContact OG1-CG 3.23Å; T44-R318 WeakPolarHBondContact OG1-CG 3.48Å; T44-R318 PolarHBondContact OG1-NE 3.47Å; T44-L321 HydrophobicContact CG2-CD1 3.75Å
45F89.6Confident94.2Very high128 Ų12859.3 Ų59.356%0.56129%0.293SS*.Hα-helixtrans-84.9-21.8172.7-69.7-75.4000112.6L41 A42 Y43L41-F45 HydrophobicContact CD1-CE2 4.1Å; L41-F45 HydrophobicContact CD1-CZ 4.47Å; L41-F45 HydrophobicContact CG-CE2 3.98Å; L41-F45 WeakPolarHBondContact O-CD2 3.46Å; A42-F45 PolarHBondContact O-N 2.9Å; A42-F45 VanDerWaalsContact O-N 3.09Å; Y43-F45 PolarHBondContact O-N 3.17Å; Y43-F45 VanDerWaalsContact O-N 3.09Å
46F89.7Confident94.2Very high183 Ų18359.9 Ų59.980%0.80329%0.29SS*.Hα-helixtrans-103.2-21.4179.3-57.6-78.6000113A42 Y43A42-F46 VanDerWaalsContact O-CD2 3.26Å; A42-F46 WeakPolarHBondContact O-CD2 3.23Å; Y43-F46 PolarHBondContact O-N 3.02Å
47A89.6Confident94.3Very high18 Ų1857.8 Ų57.815%0.14928%0.28CS..SBendtrans-64.2139.5175.500000111.4Y43 Q49 P316Y43-A47 HydrophobicContact CD1-CB 4.38Å; Y43-A47 HydrophobicContact CE1-CB 3.89Å; Y43-A47 PolarHBondContact O-N 3.45Å; A47-Q49 PolarHBondContact O-N 3.39Å; A47-P316 HydrophobicContact CB-CG 4.25Å
48R87.7Confident94.3Very high103 Ų10357.7 Ų57.739%0.38928%0.278SS..PPolyproline II helixtrans-56.8133174.6-167.1175.3-175.8-161.3-2.4109.2E137 E162R48-E137 IonicContact CZ-OE1 3.63Å; R48-E137 IonicContact NH1-OE1 3.95Å; R48-E137 PolarHBondContact NH1-OE1 3.07Å; R48-E137 IonicContact NH1-OE2 3.99Å; R48-E137 IonicContact NH2-OE1 3.19Å; R48-E162 HydrophobicContact CG-CG 4.11Å; R48-E162 IonicContact CZ-OE1 3.98Å; R48-E162 IonicContact NE-OE1 3.71Å; R48-E162 PolarHBondContact NE-OE1 2.98Å; R48-E162 IonicContact NH2-OE1 2.65Å; R48-E162 PolarHBondContact NH2-OE1 2.98Å
49Q92.4Very high94.3Very high76 Ų7657 Ų5736%0.35527%0.268SS..PPolyproline II helixtrans-84.5143.6176.8-61.1-169.861.600109.2A47 E162A47-Q49 PolarHBondContact O-N 3.39Å; Q49-E162 WeakPolarHBondContact O-CA 3.3Å
50E95Very high94.4Very high80 Ų8052 Ų5237%0.37424%0.243SC..BIsolated β-bridgetrans-120.7124.2172.9-65170.2163.100108.8I160 D314 S315E50-I160 HydrophobicContact CB-CG2 3.79Å; E50-I160 HydrophobicContact CG-CG2 4.05Å; E50-D314 PolarHBondContact O-N 3.45Å; E50-S315 VanDerWaalsContact CB-OG 3.27Å; E50-S315 WeakPolarHBondContact CB-OG 3.45Å; E50-S315 VanDerWaalsContact CG-OG 3.3Å; E50-S315 WeakPolarHBondContact CG-OG 3.48Å; E50-S315 PolarHBondContact N-O 2.98Å; E50-S315 VanDerWaalsContact N-O 3.09Å; E50-S315 PolarHBondContact O-N 3.38Å; E50-S315 WeakPolarHBondContact OE2-CB 3.46Å; E50-S315 PolarHBondContact OE2-OG 2.96Å
51W97.2Very high94.6Very high49 Ų4954.4 Ų54.419%0.18626%0.257CS..EExtended strand (participates in β ladder)trans-120.7141.6174.7-64.180000107.7I160 A161 E162 A164 A167 P310 R313W51-I160 CarbonylContact O-C 3.46Å; W51-I160 WeakPolarHBondContact O-CA 3.38Å; W51-A161 PolarHBondContact N-O 2.98Å; W51-A161 PolarHBondContact O-N 3.44Å; W51-E162 PolarHBondContact NE1-O 3.23Å; W51-A164 HydrophobicContact CD2-CB 3.98Å; W51-A164 HydrophobicContact CE3-CB 3.61Å; W51-A164 HydrophobicContact CG-CB 4.49Å; W51-A164 HydrophobicContact CZ3-CB 3.93Å; W51-A167 HydrophobicContact CB-CB 4.24Å; W51-A167 WeakPolarHBondContact O-CB 3.43Å; W51-P310 HydrophobicContact CB-CG 4.07Å; W51-P310 HydrophobicContact CE3-CB 4.18Å; W51-P310 HydrophobicContact CE3-CG 3.91Å; W51-P310 WeakPolarHBondContact CZ3-O 3.41Å; W51-R313 HydrophobicContact CD2-CB 3.67Å; W51-R313 HydrophobicContact CE3-CB 3.92Å; W51-R313 HydrophobicContact CG-CB 4.26Å; W51-R313 HydrophobicContact CH2-CB 4.06Å; W51-R313 HydrophobicContact CZ2-CB 3.75Å; W51-R313 HydrophobicContact CZ3-CB 4.13Å; W51-R313 VanDerWaalsContact CZ3-N 3.32Å
52S97.2Very high94.7Very high15 Ų1555.4 Ų55.411%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-130.1140.9179.3660000113.6K158 L159 P310 D314S52-K158 WeakPolarHBondContact OG-CE 3.16Å; S52-K158 PolarHBondContact OG-NZ 2.9Å; S52-L159 WeakPolarHBondContact CA-O 3.39Å; S52-L159 WeakPolarHBondContact CB-O 3.44Å; S52-P310 VanDerWaalsContact O-CB 3.25Å; S52-P310 WeakPolarHBondContact O-CB 3.38Å; S52-P310 WeakPolarHBondContact O-CG 3.34Å; S52-D314 WeakPolarHBondContact CB-OD2 3.49Å; S52-D314 PolarHBondContact OG-OD2 3.23Å
53S97.9Very high94.8Very high4 Ų460.3 Ų60.33%0.02829%0.285CS..EExtended strand (participates in β ladder)trans-109.5157.6167.2-164.20000109.2K158 L159 A167 L171 E308S53-K158 WeakPolarHBondContact O-CA 3.46Å; S53-L159 PolarHBondContact N-O 3.22Å; S53-L159 PolarHBondContact O-N 3.49Å; S53-A167 WeakPolarHBondContact CB-O 3.35Å; S53-L171 WeakPolarHBondContact O-CD2 3.28Å; S53-E308 PolarHBondContact OG-N 3.02Å; S53-E308 PolarHBondContact OG-O 2.79Å
54T98.1Very high95.1Very high30 Ų3055.9 Ų55.918%0.18427%0.271CS..EExtended strand (participates in β ladder)trans-136.4134.3-178.3-55.70000109.9V157T54-V157 CarbonylContact C-O 3.55Å; T54-V157 WeakPolarHBondContact CA-O 3.44Å
55A98.3Very high95.4Very high0 Ų055.8 Ų55.80%027%0.27CS..EExtended strand (participates in β ladder)trans-112144.517000000109.6S156 V157 L171 V175 Y303 R305 P307A55-S156 VanDerWaalsContact O-CA 3.24Å; A55-S156 WeakPolarHBondContact O-CA 3.39Å; A55-S156 WeakPolarHBondContact O-CB 3.04Å; A55-V157 HydrophobicContact CB-CG1 3.78Å; A55-V157 PolarHBondContact N-O 3.29Å; A55-V157 PolarHBondContact O-N 2.93Å; A55-L171 HydrophobicContact CB-CD2 4.17Å; A55-L171 HydrophobicContact CB-CG 4.5Å; A55-V175 HydrophobicContact CB-CG2 4.39Å; A55-Y303 HydrophobicContact CB-CD1 4.22Å; A55-Y303 HydrophobicContact CB-CE1 3.85Å; A55-R305 WeakPolarHBondContact CA-O 3.41Å; A55-P307 HydrophobicContact CB-CG 3.85Å
56I97.9Very high95.6Very high51 Ų5151.5 Ų51.526%0.26226%0.262SS..EExtended strand (participates in β ladder)trans-118.9131.3166.3-57.8174.6000106.5N154 L304 R305I56-N154 HydrophobicContact CG2-CB 3.47Å; I56-N154 VanDerWaalsContact CG2-CB 3.47Å; I56-L304 HydrophobicContact CB-CB 4.33Å; I56-L304 HydrophobicContact CG2-CB 4.02Å; I56-L304 HydrophobicContact CG2-CD1 4.38Å; I56-L304 PolarHBondContact O-N 2.98Å; I56-R305 HydrophobicContact CB-CB 3.66Å; I56-R305 HydrophobicContact CD1-CB 3.92Å; I56-R305 HydrophobicContact CG1-CB 3.75Å; I56-R305 PolarHBondContact N-O 2.88Å; I56-R305 PolarHBondContact O-N 3.25Å
57T97.8Very high95.9Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-122.4163.2-174.863.50000111.4Y97 F100 D155 Y301 R302 Y303T57-Y97 VanDerWaalsContact C-OH 3.23Å; T57-Y97 PolarHBondContact O-OH 2.99Å; T57-Y97 PolarHBondContact OG1-OH 2.96Å; T57-F100 HydrophobicContact CG2-CE1 4.07Å; T57-F100 HydrophobicContact CG2-CZ 4.13Å; T57-D155 PolarHBondContact N-O 3.45Å; T57-Y301 HydrophobicContact CG2-CD2 3.94Å; T57-R302 VanDerWaalsContact CA-O 3.26Å; T57-R302 WeakPolarHBondContact CA-O 3.45Å; T57-Y303 HydrophobicContact CG2-CD1 4.19Å; T57-Y303 HydrophobicContact CG2-CE1 4.34Å
58D96.1Very high96.2Very high16 Ų1643.4 Ų43.49%0.08623%0.232CC..EExtended strand (participates in β ladder)trans-153.8179171.1-172.821.9000109Y97 R302 L304D58-Y97 VanDerWaalsContact C-CD2 3.48Å; D58-Y97 VanDerWaalsContact CA-CZ 3.5Å; D58-Y97 WeakPolarHBondContact CA-OH 3.38Å; D58-Y97 PolarHBondContact N-OH 2.88Å; D58-Y97 WeakPolarHBondContact O-CD2 3.34Å; D58-Y97 WeakPolarHBondContact O-CE2 3.32Å; D58-R302 HydrophobicContact CB-CG 4.21Å; D58-R302 PolarHBondContact N-O 3.38Å; D58-R302 PolarHBondContact O-N 2.85Å; D58-R302 IonicContact OD2-CZ 2.65Å; D58-R302 IonicContact OD2-NE 2.72Å; D58-R302 PolarHBondContact OD2-NE 3.26Å; D58-R302 IonicContact OD2-NH2 3.33Å; D58-R302 PolarHBondContact OD2-NH2 3.39Å; D58-L304 HydrophobicContact CB-CD1 3.71Å; D58-L304 HydrophobicContact CB-CD2 4.17Å; D58-L304 HydrophobicContact CB-CG 3.8Å
59R96.6Very high96.7Very high79 Ų7941.8 Ų41.830%0.29823%0.226SC..PPolyproline II helixtrans-48.4139.6179.1-64.7162.6-178.483-1.2112.3D94 Y97 R302R59-D94 IonicContact CZ-OD1 3.96Å; R59-D94 IonicContact NE-OD1 2.88Å; R59-D94 PolarHBondContact NE-OD1 3.2Å; R59-D94 IonicContact NH2-OD1 3.33Å; R59-D94 PolarHBondContact NH2-OD1 2.99Å; R59-Y97 HydrophobicContact CB-CG 4.42Å; R59-Y97 HydrophobicContact CG-CD1 3.93Å; R59-Y97 HydrophobicContact CG-CG 3.97Å; R59-R302 WeakPolarHBondContact O-CD 3.36Å; R59-R302 WeakPolarHBondContact O-CG 3.5Å; R59-R302 PolarHBondContact O-NE 3.28Å
60P97.9Very high96.8Very high7 Ų741.5 Ų41.55%0.04523%0.232CC..PPolyproline II helixtrans-64.6169.8173.323.8-24.1000110.5M64 L65 M93 A96 Q299 T300P60-M64 HydrophobicContact CB-CB 3.89Å; P60-M64 HydrophobicContact CB-SD 4.2Å; P60-L65 HydrophobicContact CB-CD2 4.26Å; P60-L65 HydrophobicContact CB-CG 4.32Å; P60-L65 HydrophobicContact CG-CD1 4.44Å; P60-L65 HydrophobicContact CG-CD2 3.78Å; P60-L65 HydrophobicContact CG-CG 4.05Å; P60-M93 HydrophobicContact CB-CE 3.94Å; P60-M93 HydrophobicContact CG-CE 3.76Å; P60-M93 WeakPolarHBondContact O-CE 3.32Å; P60-A96 HydrophobicContact CG-CB 4.36Å; P60-Q299 WeakPolarHBondContact CB-O 3.42Å; P60-T300 WeakPolarHBondContact CD-O 3.45Å; P60-T300 WeakPolarHBondContact CG-O 3.39Å
61T97.1Very high96.8Very high56 Ų5638.4 Ų38.434%0.34422%0.218SC..PPolyproline II helixtrans-95.7161.5166.962.50000110.2N63 M64 L65 M93T61-N63 PolarHBondContact O-N 2.88Å; T61-N63 VanDerWaalsContact O-N 3.16Å; T61-M64 HydrophobicContact CG2-SD 4.31Å; T61-M64 PolarHBondContact N-SD 3.33Å; T61-M64 VanDerWaalsContact N-SD 3.43Å; T61-M64 WeakPolarHBondContact O-CB 3.31Å; T61-M64 PolarHBondContact O-N 3.24Å; T61-M64 WeakPolarHBondContact OG1-CG 3.35Å; T61-M64 PolarHBondContact OG1-SD 3.41Å; T61-L65 PolarHBondContact O-N 2.98Å; T61-M93 WeakPolarHBondContact O-CE 3.47Å
62V96.2Very high96.8Very high67 Ų6737.4 Ų37.441%0.40622%0.215SC..Hα-helixtrans-52.6-40.7179.1174.30000111.4M64 L65 G66 Y69 M93V62-M64 VanDerWaalsContact C-N 3.3Å; V62-M64 PolarHBondContact O-N 3.41Å; V62-L65 PolarHBondContact O-N 3.42Å; V62-G66 PolarHBondContact O-N 3.44Å; V62-Y69 HydrophobicContact CG1-CD1 3.6Å; V62-Y69 HydrophobicContact CG1-CD2 4.32Å; V62-Y69 HydrophobicContact CG1-CE1 3.78Å; V62-Y69 HydrophobicContact CG1-CE2 4.47Å; V62-Y69 HydrophobicContact CG1-CG 3.89Å; V62-Y69 HydrophobicContact CG2-CD2 4.34Å; V62-Y69 HydrophobicContact CG2-CE1 4.39Å; V62-Y69 HydrophobicContact CG2-CE2 3.96Å; V62-M93 HydrophobicContact CG2-SD 4.05Å
63N95.7Very high96.6Very high151 Ų15139 Ų3981%0.80722%0.221SC*.Hα-helixtrans-63.1-33.7177.7-69.8-4.1000113.2T61 L65 G66T61-N63 PolarHBondContact O-N 2.88Å; T61-N63 VanDerWaalsContact O-N 3.16Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-G66 PolarHBondContact O-N 2.91Å
64M97.2Very high96.4Very high59 Ų5941.2 Ų41.229%0.29123%0.23SC..Hα-helixtrans-70.2-30.9179-74.8164.2165.200112.6P60 T61 V62 G66 F298 Q299 R302P60-M64 HydrophobicContact CB-CB 3.89Å; P60-M64 HydrophobicContact CB-SD 4.2Å; T61-M64 HydrophobicContact CG2-SD 4.31Å; T61-M64 PolarHBondContact N-SD 3.33Å; T61-M64 VanDerWaalsContact N-SD 3.43Å; T61-M64 WeakPolarHBondContact O-CB 3.31Å; T61-M64 PolarHBondContact O-N 3.24Å; T61-M64 WeakPolarHBondContact OG1-CG 3.35Å; T61-M64 PolarHBondContact OG1-SD 3.41Å; V62-M64 VanDerWaalsContact C-N 3.3Å; V62-M64 PolarHBondContact O-N 3.41Å; M64-G66 VanDerWaalsContact C-N 3.33Å; M64-F298 WeakPolarHBondContact O-CB 3.37Å; M64-Q299 HydrophobicContact CB-CB 4.16Å; M64-Q299 PolarHBondContact O-N 2.83Å; M64-R302 HydrophobicContact CE-CB 3.81Å; M64-R302 HydrophobicContact SD-CB 3.79Å
65L97.4Very high96.1Very high0 Ų040.2 Ų40.20%022%0.224CC..Hα-helixtrans-79.3-15.9175.6-67.3-174.6000113.3P60 T61 V62 N63 G67 Y68 Y69 V92 M93 A96 F298 Q299P60-L65 HydrophobicContact CB-CD2 4.26Å; P60-L65 HydrophobicContact CB-CG 4.32Å; P60-L65 HydrophobicContact CG-CD1 4.44Å; P60-L65 HydrophobicContact CG-CD2 3.78Å; P60-L65 HydrophobicContact CG-CG 4.05Å; T61-L65 PolarHBondContact O-N 2.98Å; V62-L65 PolarHBondContact O-N 3.42Å; N63-L65 VanDerWaalsContact C-N 3.34Å; L65-G67 PolarHBondContact O-N 2.95Å; L65-Y68 HydrophobicContact CD1-CD1 4.42Å; L65-Y68 HydrophobicContact CD2-CD1 4.42Å; L65-Y68 WeakPolarHBondContact O-CB 3.4Å; L65-Y68 PolarHBondContact O-N 3.14Å; L65-Y68 VanDerWaalsContact O-N 3.13Å; L65-Y69 HydrophobicContact CD1-CD2 4.23Å; L65-V92 HydrophobicContact CD1-CG1 3.89Å; L65-M93 HydrophobicContact CD1-CE 3.34Å; L65-M93 HydrophobicContact CD1-SD 3.33Å; L65-M93 WeakPolarHBondContact CD1-SD 3.29Å; L65-M93 HydrophobicContact CG-CE 3.66Å; L65-M93 HydrophobicContact CG-SD 4.25Å; L65-A96 HydrophobicContact CD1-CB 4.13Å; L65-A96 HydrophobicContact CD2-CB 3.63Å; L65-F298 HydrophobicContact CD2-CD2 3.75Å; L65-F298 HydrophobicContact CD2-CE2 4.07Å; L65-F298 WeakPolarHBondContact O-CB 3.31Å; L65-Q299 WeakPolarHBondContact CD2-O 3.26Å
66G94.4Very high95.8Very high38 Ų3841.3 Ų41.339%0.39223%0.228SC..THydrogen-bonded Turntrans52-133176.100000113V62 N63 M64 Y68 Y69V62-G66 PolarHBondContact O-N 3.44Å; N63-G66 PolarHBondContact O-N 2.91Å; M64-G66 VanDerWaalsContact C-N 3.33Å; G66-Y68 PolarHBondContact O-N 3.3Å; G66-Y69 PolarHBondContact O-N 3.44Å
67G95.2Very high95.3Very high30 Ų3043.1 Ų43.131%0.30924%0.238SC..Hα-helixtrans-67.2-18.9-178.100000114.7L65 Y69 S70 Q71L65-G67 PolarHBondContact O-N 2.95Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; G67-S70 PolarHBondContact O-OG 3.39Å; G67-Q71 WeakPolarHBondContact O-CG 3.41Å; G67-Q71 PolarHBondContact O-N 2.91Å; G67-Q71 PolarHBondContact O-NE2 3.38Å
68Y97.5Very high94.9Very high1 Ų143.5 Ų43.50%0.00424%0.24CC..Hα-helixtrans-63.5-41.8175.7173.6-97.7000111L65 G66 S70 Q71 Q72 V92 L186 L190 F298L65-Y68 HydrophobicContact CD1-CD1 4.42Å; L65-Y68 HydrophobicContact CD2-CD1 4.42Å; L65-Y68 WeakPolarHBondContact O-CB 3.4Å; L65-Y68 PolarHBondContact O-N 3.14Å; L65-Y68 VanDerWaalsContact O-N 3.13Å; G66-Y68 PolarHBondContact O-N 3.3Å; Y68-S70 PolarHBondContact O-N 3.26Å; Y68-Q71 PolarHBondContact O-N 3.38Å; Y68-Q72 HydrophobicContact CE1-CB 4.35Å; Y68-Q72 WeakPolarHBondContact O-CB 3.26Å; Y68-Q72 PolarHBondContact O-N 3.47Å; Y68-V92 HydrophobicContact CD1-CG1 4.22Å; Y68-V92 HydrophobicContact CE1-CG1 3.76Å; Y68-L186 HydrophobicContact CD2-CB 4.48Å; Y68-L186 HydrophobicContact CE1-CD1 4.44Å; Y68-L186 HydrophobicContact CE2-CB 3.71Å; Y68-L186 WeakPolarHBondContact OH-CD2 3.27Å; Y68-L190 HydrophobicContact CD2-CD2 3.99Å; Y68-L190 HydrophobicContact CE2-CB 4.2Å; Y68-L190 HydrophobicContact CE2-CD2 4.26Å; Y68-F298 AromaticContact CD1-CE2 3.98Å; Y68-F298 HydrophobicContact CD1-CE2 3.98Å; Y68-F298 AromaticContact CD1-CZ 3.99Å; Y68-F298 HydrophobicContact CD1-CZ 3.99Å; Y68-F298 AromaticContact CD2-CE1 3.88Å; Y68-F298 HydrophobicContact CD2-CE1 3.88Å; Y68-F298 HydrophobicContact CD2-CE2 4.47Å; Y68-F298 AromaticContact CD2-CZ 3.67Å; Y68-F298 HydrophobicContact CD2-CZ 3.67Å; Y68-F298 HydrophobicContact CE2-CZ 4.29Å; Y68-F298 HydrophobicContact CG-CD1 4.34Å; Y68-F298 AromaticContact CG-CE1 3.76Å; Y68-F298 HydrophobicContact CG-CE1 3.76Å; Y68-F298 AromaticContact CG-CE2 3.94Å; Y68-F298 HydrophobicContact CG-CE2 3.94Å; Y68-F298 AromaticContact CG-CZ 3.52Å; Y68-F298 HydrophobicContact CG-CZ 3.52Å
69Y96.9Very high94.2Very high69 Ų6945.2 Ų45.227%0.27125%0.249SC..Hα-helixtrans-58.5-49.9-178.2177.9-94.9000112.5V62 L65 G66 G67 Q71 Q72 Q73 V92 M93V62-Y69 HydrophobicContact CG1-CD1 3.6Å; V62-Y69 HydrophobicContact CG1-CD2 4.32Å; V62-Y69 HydrophobicContact CG1-CE1 3.78Å; V62-Y69 HydrophobicContact CG1-CE2 4.47Å; V62-Y69 HydrophobicContact CG1-CG 3.89Å; V62-Y69 HydrophobicContact CG2-CD2 4.34Å; V62-Y69 HydrophobicContact CG2-CE1 4.39Å; V62-Y69 HydrophobicContact CG2-CE2 3.96Å; L65-Y69 HydrophobicContact CD1-CD2 4.23Å; G66-Y69 PolarHBondContact O-N 3.44Å; G67-Y69 VanDerWaalsContact C-N 3.33Å; Y69-Q71 VanDerWaalsContact C-N 3.33Å; Y69-Q71 PolarHBondContact O-N 2.85Å; Y69-Q72 PolarHBondContact O-N 3.28Å; Y69-Q73 HydrophobicContact CD1-CG 4.17Å; Y69-Q73 HydrophobicContact CD2-CG 4.45Å; Y69-Q73 HydrophobicContact CE1-CG 3.78Å; Y69-Q73 HydrophobicContact CE2-CG 4.09Å; Y69-Q73 HydrophobicContact CG-CG 4.49Å; Y69-Q73 WeakPolarHBondContact O-CB 3.36Å; Y69-Q73 VanDerWaalsContact O-CG 3.24Å; Y69-Q73 WeakPolarHBondContact O-CG 3.35Å; Y69-Q73 PolarHBondContact O-N 3.42Å; Y69-V92 HydrophobicContact CD2-CB 3.86Å; Y69-V92 HydrophobicContact CD2-CG1 3.95Å; Y69-V92 HydrophobicContact CD2-CG2 4.43Å; Y69-V92 HydrophobicContact CE2-CB 4.04Å; Y69-V92 HydrophobicContact CE2-CG2 4.43Å; Y69-M93 HydrophobicContact CD2-SD 3.74Å; Y69-M93 HydrophobicContact CE2-SD 3.86Å
70S95Very high93.4Very high70 Ų7045.3 Ų45.349%0.4926%0.259SS..Hα-helixtrans-66.5-36.1-176.656.80000112.3G67 Y68 F74G67-S70 PolarHBondContact O-OG 3.39Å; Y68-S70 PolarHBondContact O-N 3.26Å; S70-F74 WeakPolarHBondContact O-CB 3.49Å; S70-F74 PolarHBondContact O-N 2.83Å
71Q95.9Very high92.4Very high14 Ų1454 Ų547%0.06529%0.291CS..Hα-helixtrans-71.7-41.6178.3-69.8176.58800112.3G67 Y68 Y69 Q73 F74 L75 L190 W194 P292 T293G67-Q71 WeakPolarHBondContact O-CG 3.41Å; G67-Q71 PolarHBondContact O-N 2.91Å; G67-Q71 PolarHBondContact O-NE2 3.38Å; Y68-Q71 PolarHBondContact O-N 3.38Å; Y69-Q71 VanDerWaalsContact C-N 3.33Å; Y69-Q71 PolarHBondContact O-N 2.85Å; Q71-Q73 VanDerWaalsContact C-N 3.35Å; Q71-F74 WeakPolarHBondContact O-CB 3.27Å; Q71-F74 PolarHBondContact O-N 2.87Å; Q71-L75 PolarHBondContact O-N 3.47Å; Q71-L190 HydrophobicContact CB-CD1 4.21Å; Q71-L190 HydrophobicContact CB-CD2 3.93Å; Q71-W194 HydrophobicContact CB-CZ3 4.36Å; Q71-W194 HydrophobicContact CG-CZ3 4.47Å; Q71-P292 VanDerWaalsContact OE1-CB 3.26Å; Q71-T293 PolarHBondContact NE2-O 3.17Å; Q71-T293 PolarHBondContact NE2-OG1 2.95Å; Q71-T293 PolarHBondContact OE1-O 3.49Å; Q71-T293 PolarHBondContact OE1-OG1 3.46Å
72Q95.6Very high91.3Very high28 Ų2853.3 Ų53.313%0.13129%0.288CS..Hα-helixtrans-64.2-42.4174.7-172.766.3-1.500110.9Y68 Y69 F74 L75 R76 V92 E95Y68-Q72 HydrophobicContact CE1-CB 4.35Å; Y68-Q72 WeakPolarHBondContact O-CB 3.26Å; Y68-Q72 PolarHBondContact O-N 3.47Å; Y69-Q72 PolarHBondContact O-N 3.28Å; Q72-F74 VanDerWaalsContact C-N 3.33Å; Q72-F74 PolarHBondContact O-N 3.44Å; Q72-L75 PolarHBondContact O-N 2.92Å; Q72-R76 WeakPolarHBondContact O-CG 3.43Å; Q72-R76 PolarHBondContact O-N 2.95Å; Q72-V92 HydrophobicContact CB-CG1 4.02Å; Q72-V92 HydrophobicContact CB-CG2 4.11Å; Q72-V92 HydrophobicContact CG-CB 4.45Å; Q72-V92 HydrophobicContact CG-CG1 3.92Å; Q72-V92 HydrophobicContact CG-CG2 3.68Å; Q72-E95 PolarHBondContact NE2-OE2 3.27Å
73Q93.4Very high90.2Very high48 Ų4857.4 Ų57.422%0.22431%0.307CS..Hα-helixtrans-62.4-39.1173.8-74.4-66.6-17.500112.5Y69 Q71 R76 N77 V92Y69-Q73 HydrophobicContact CD1-CG 4.17Å; Y69-Q73 HydrophobicContact CD2-CG 4.45Å; Y69-Q73 HydrophobicContact CE1-CG 3.78Å; Y69-Q73 HydrophobicContact CE2-CG 4.09Å; Y69-Q73 HydrophobicContact CG-CG 4.49Å; Y69-Q73 WeakPolarHBondContact O-CB 3.36Å; Y69-Q73 VanDerWaalsContact O-CG 3.24Å; Y69-Q73 WeakPolarHBondContact O-CG 3.35Å; Y69-Q73 PolarHBondContact O-N 3.42Å; Q71-Q73 VanDerWaalsContact C-N 3.35Å; Q73-R76 PolarHBondContact O-N 3.23Å; Q73-N77 WeakPolarHBondContact O-CB 3.46Å; Q73-N77 PolarHBondContact O-N 2.83Å; Q73-N77 PolarHBondContact O-ND2 3.33Å; Q73-N77 VanDerWaalsContact O-ND2 3.1Å; Q73-V92 HydrophobicContact CG-CG2 4.15Å; Q73-V92 VanDerWaalsContact NE2-CG2 3.33Å
74F94.1Very high88.6Confident52 Ų5255.2 Ų55.223%0.22829%0.293CS..Hα-helixtrans-59-49.4174.9169.3-102.7000111.5S70 Q71 Q72 N77 L78 W194 M284 T287 L288S70-F74 WeakPolarHBondContact O-CB 3.49Å; S70-F74 PolarHBondContact O-N 2.83Å; Q71-F74 WeakPolarHBondContact O-CB 3.27Å; Q71-F74 PolarHBondContact O-N 2.87Å; Q72-F74 VanDerWaalsContact C-N 3.33Å; Q72-F74 PolarHBondContact O-N 3.44Å; F74-N77 PolarHBondContact O-N 2.76Å; F74-L78 HydrophobicContact CD1-CD1 4.37Å; F74-L78 HydrophobicContact CE1-CD1 3.8Å; F74-L78 HydrophobicContact CE2-CD1 4.43Å; F74-L78 HydrophobicContact CZ-CD1 3.85Å; F74-L78 HydrophobicContact CZ-CG 4.48Å; F74-L78 WeakPolarHBondContact O-CG 3.49Å; F74-L78 PolarHBondContact O-N 2.96Å; F74-W194 AromaticContact CD1-CH2 3.72Å; F74-W194 HydrophobicContact CD1-CH2 3.72Å; F74-W194 AromaticContact CD1-CZ3 3.69Å; F74-W194 HydrophobicContact CD1-CZ3 3.69Å; F74-W194 AromaticContact CE1-CH2 3.61Å; F74-W194 HydrophobicContact CE1-CH2 3.61Å; F74-W194 HydrophobicContact CE1-CZ2 4.1Å; F74-W194 AromaticContact CE1-CZ3 3.97Å; F74-W194 HydrophobicContact CE1-CZ3 3.97Å; F74-M284 HydrophobicContact CE2-CE 4.11Å; F74-M284 HydrophobicContact CE2-SD 3.75Å; F74-M284 HydrophobicContact CZ-CE 4.39Å; F74-M284 HydrophobicContact CZ-SD 3.43Å; F74-M284 WeakPolarHBondContact CZ-SD 3.35Å; F74-T287 HydrophobicContact CE2-CG2 4.49Å; F74-T287 HydrophobicContact CZ-CG2 3.92Å; F74-L288 HydrophobicContact CE1-CD2 3.94Å; F74-L288 HydrophobicContact CZ-CD2 4.44Å
75L92.8Very high87Confident9 Ų953.6 Ų53.65%0.04729%0.289CS..Hα-helixtrans-61.8-45.3177.4-69.3-172.9000112.4Q71 Q72 N77 L78 D79 L190 A193 W194 R197 L288Q71-L75 PolarHBondContact O-N 3.47Å; Q72-L75 PolarHBondContact O-N 2.92Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.1Å; L75-L78 HydrophobicContact CD2-CD1 4.36Å; L75-L78 WeakPolarHBondContact O-CA 3.45Å; L75-L78 VanDerWaalsContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CB 3.44Å; L75-L78 PolarHBondContact O-N 3.26Å; L75-D79 PolarHBondContact O-N 3.27Å; L75-D79 VanDerWaalsContact O-N 3.07Å; L75-L190 HydrophobicContact CD1-CD1 3.55Å; L75-L190 HydrophobicContact CG-CD1 4.33Å; L75-A193 HydrophobicContact CD1-CB 3.82Å; L75-W194 HydrophobicContact CD1-CB 4.38Å; L75-W194 HydrophobicContact CD1-CE3 4.17Å; L75-W194 HydrophobicContact CD2-CD2 4.22Å; L75-W194 HydrophobicContact CD2-CE3 3.79Å; L75-W194 HydrophobicContact CD2-CZ3 4.32Å; L75-W194 HydrophobicContact CG-CE3 4.01Å; L75-W194 HydrophobicContact CG-CZ3 4.47Å; L75-R197 HydrophobicContact CD2-CB 4.47Å; L75-L288 HydrophobicContact CD2-CD2 4.46Å
76R90.1Very high85.4Confident22 Ų2258 Ų588%0.08332%0.321CS..Hα-helixtrans-58.2-41.4176.9-72175.9175.6-153.64.1112.8Q72 Q73 L78 D79 V80 P90 V92 E95Q72-R76 WeakPolarHBondContact O-CG 3.43Å; Q72-R76 PolarHBondContact O-N 2.95Å; Q73-R76 PolarHBondContact O-N 3.23Å; R76-L78 PolarHBondContact O-N 3.47Å; R76-D79 PolarHBondContact O-N 3.21Å; R76-D79 VanDerWaalsContact O-N 3.07Å; R76-V80 WeakPolarHBondContact O-CG2 3.33Å; R76-V80 PolarHBondContact O-N 3Å; R76-P90 VanDerWaalsContact CZ-O 3.26Å; R76-P90 PolarHBondContact NH1-O 3.13Å; R76-P90 PolarHBondContact NH2-O 2.86Å; R76-V92 VanDerWaalsContact CZ-CG2 3.43Å; R76-E95 IonicContact CZ-OE1 3.72Å; R76-E95 IonicContact CZ-OE2 3.42Å; R76-E95 IonicContact NE-OE2 3.7Å; R76-E95 IonicContact NH2-OE1 3.44Å; R76-E95 PolarHBondContact NH2-OE1 3.39Å; R76-E95 IonicContact NH2-OE2 3.5Å; R76-E95 PolarHBondContact NH2-OE2 3.31Å
77N89.1Confident84.1Confident90 Ų9061.3 Ų61.348%0.48134%0.344SS..Hα-helixtrans-63.3-31.8176.4-73.3-32000112.2Q73 F74 L75 R81Q73-N77 WeakPolarHBondContact O-CB 3.46Å; Q73-N77 PolarHBondContact O-N 2.83Å; Q73-N77 PolarHBondContact O-ND2 3.33Å; Q73-N77 VanDerWaalsContact O-ND2 3.1Å; F74-N77 PolarHBondContact O-N 2.76Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.1Å; N77-R81 WeakPolarHBondContact O-CG 3.44Å; N77-R81 PolarHBondContact O-N 2.99Å
78L88Confident83.1Confident8 Ų867.3 Ų67.34%0.04237%0.369CS..Hα-helixtrans-69.2-36.3172.5-61.7179.8000111.9F74 L75 R76 S82 R197 M284 L288F74-L78 HydrophobicContact CD1-CD1 4.37Å; F74-L78 HydrophobicContact CE1-CD1 3.8Å; F74-L78 HydrophobicContact CE2-CD1 4.43Å; F74-L78 HydrophobicContact CZ-CD1 3.85Å; F74-L78 HydrophobicContact CZ-CG 4.48Å; F74-L78 WeakPolarHBondContact O-CG 3.49Å; F74-L78 PolarHBondContact O-N 2.96Å; L75-L78 HydrophobicContact CD2-CD1 4.36Å; L75-L78 WeakPolarHBondContact O-CA 3.45Å; L75-L78 VanDerWaalsContact O-CB 3.32Å; L75-L78 WeakPolarHBondContact O-CB 3.44Å; L75-L78 PolarHBondContact O-N 3.26Å; R76-L78 PolarHBondContact O-N 3.47Å; L78-S82 PolarHBondContact O-N 3.26Å; L78-S82 PolarHBondContact O-OG 3.48Å; L78-R197 HydrophobicContact CD1-CG 3.95Å; L78-R197 PolarHBondContact O-NH2 2.87Å; L78-M284 HydrophobicContact CD1-SD 4.15Å; L78-M284 HydrophobicContact CD2-CE 3.65Å; L78-M284 HydrophobicContact CD2-CG 4.18Å; L78-M284 HydrophobicContact CD2-SD 3.72Å; L78-L288 HydrophobicContact CD1-CD2 4.13Å
79D82.3Confident82.2Confident51 Ų5171 Ų7127%0.27339%0.386SS..Hα-helixtrans-69.3-43.3179-67.8-26.4000112.4L75 R76 R81 S82 N83 M84 A85 R197L75-D79 PolarHBondContact O-N 3.27Å; L75-D79 VanDerWaalsContact O-N 3.07Å; R76-D79 PolarHBondContact O-N 3.21Å; R76-D79 VanDerWaalsContact O-N 3.07Å; D79-R81 VanDerWaalsContact C-N 3.35Å; D79-R81 PolarHBondContact O-N 3.48Å; D79-S82 WeakPolarHBondContact CA-OG 3.43Å; D79-S82 CarbonylContact O-C 3.59Å; D79-S82 PolarHBondContact O-N 2.97Å; D79-S82 VanDerWaalsContact O-N 3.12Å; D79-S82 PolarHBondContact O-OG 3.12Å; D79-N83 PolarHBondContact O-N 3.12Å; D79-M84 HydrophobicContact CB-CB 4.49Å; D79-M84 PolarHBondContact O-N 3.41Å; D79-A85 HydrophobicContact CB-CB 4.14Å; D79-R197 IonicContact OD1-NH1 3.79Å; D79-R197 PolarHBondContact OD1-NH1 3.47Å
80V79.2Confident81.8Confident82 Ų8271.1 Ų71.150%0.49740%0.395SS..Hα-helixtrans-58.6-45.7174.3173.90000110.9R76 S82 N83 A85R76-V80 WeakPolarHBondContact O-CG2 3.33Å; R76-V80 PolarHBondContact O-N 3Å; V80-S82 PolarHBondContact O-N 3.16Å; V80-N83 PolarHBondContact O-N 3.36Å; V80-A85 HydrophobicContact CG2-CB 3.83Å
81R76.7Confident81.7Confident190 Ų19070 Ų7072%0.71739%0.388SS*.Hα-helixtrans-62.2-29.8177.1-74.5-179.8-176.2-165.31.7113.2N77 D79 N83N77-R81 WeakPolarHBondContact O-CG 3.44Å; N77-R81 PolarHBondContact O-N 2.99Å; D79-R81 VanDerWaalsContact C-N 3.35Å; D79-R81 PolarHBondContact O-N 3.48Å; R81-N83 VanDerWaalsContact C-N 3.28Å
82S73.7Confident81.7Confident40 Ų4069.4 Ų69.428%0.2839%0.385SS..THydrogen-bonded Turntrans-8710.7174.146.10000114.1L78 D79 V80 M84 R197L78-S82 PolarHBondContact O-N 3.26Å; L78-S82 PolarHBondContact O-OG 3.48Å; D79-S82 WeakPolarHBondContact CA-OG 3.43Å; D79-S82 CarbonylContact O-C 3.59Å; D79-S82 PolarHBondContact O-N 2.97Å; D79-S82 VanDerWaalsContact O-N 3.12Å; D79-S82 PolarHBondContact O-OG 3.12Å; V80-S82 PolarHBondContact O-N 3.16Å; S82-M84 PolarHBondContact O-N 3.36Å; S82-M84 VanDerWaalsContact O-N 3.13Å; S82-M84 WeakPolarHBondContact OG-CE 3.46Å; S82-R197 PolarHBondContact OG-NH1 3.27Å
83N73Confident81.7Confident154 Ų15469 Ų6982%0.82438%0.383SS*.THydrogen-bonded Turntrans52.728.2-175.2-68.9-20.4000113.7D79 V80 R81D79-N83 PolarHBondContact O-N 3.12Å; V80-N83 PolarHBondContact O-N 3.36Å; R81-N83 VanDerWaalsContact C-N 3.28Å
84M62.8Low81.9Confident104 Ų10469.1 Ų69.151%0.51239%0.385SS..  trans-93.6-12.1-179.5-66.5-161.6-70.300113.1D79 S82D79-M84 HydrophobicContact CB-CB 4.49Å; D79-M84 PolarHBondContact O-N 3.41Å; S82-M84 PolarHBondContact O-N 3.36Å; S82-M84 VanDerWaalsContact O-N 3.13Å; S82-M84 WeakPolarHBondContact OG-CE 3.46Å
85A63Low81.9Confident25 Ų2569.2 Ų69.221%0.20739%0.387CS..SBendtrans-111137-174.700000112.4D79 V80 Q89D79-A85 HydrophobicContact CB-CB 4.14Å; V80-A85 HydrophobicContact CG2-CB 3.83Å; A85-Q89 VanDerWaalsContact CB-NE2 3.32Å
86S65.6Low82.2Confident94 Ų9468.8 Ų68.866%0.65738%0.384SS*.  trans-77.5151.5170.2-44.40000111.2D88S86-D88 PolarHBondContact O-N 2.99Å
87A65.1Low82.6Confident106 Ų10668.3 Ų68.388%0.87638%0.382SS*.THydrogen-bonded Turntrans-64.2-24.3178.200000114Q89A87-Q89 VanDerWaalsContact C-N 3.31Å; A87-Q89 PolarHBondContact O-N 3.01Å
88D75.5Confident82.9Confident157 Ų15771.7 Ų71.784%0.8439%0.393SS*.THydrogen-bonded Turntrans-91.132.9-174.7-65.5-29.4000114S86S86-D88 PolarHBondContact O-N 2.99Å
89Q79.1Confident83.4Confident78 Ų7872.1 Ų72.136%0.36440%0.395SS..PPolyproline II helixtrans-69.7135.8178.5-79.4-175.4-7.600111.7A85 A87A85-Q89 VanDerWaalsContact CB-NE2 3.32Å; A87-Q89 VanDerWaalsContact C-N 3.31Å; A87-Q89 PolarHBondContact O-N 3.01Å
90P88Confident84.2Confident72 Ų7269.7 Ų69.747%0.46838%0.382SS..PPolyproline II helixtrans-55.7149.3172-18.229.2000110.6R76 D94 E95R76-P90 VanDerWaalsContact CZ-O 3.26Å; R76-P90 PolarHBondContact NH1-O 3.13Å; R76-P90 PolarHBondContact NH2-O 2.86Å; P90-D94 HydrophobicContact CB-CB 3.94Å; P90-E95 HydrophobicContact CB-CG 4.38Å
91S92.8Very high85.1Confident47 Ų4767 Ų6733%0.32937%0.366SS..PPolyproline II helixtrans-65.1157.8175.375.90000110.7M93 D94 E95S91-M93 PolarHBondContact O-N 3.48Å; S91-M93 VanDerWaalsContact O-N 3.15Å; S91-M93 PolarHBondContact OG-N 3.41Å; S91-D94 VanDerWaalsContact CB-OD2 3.26Å; S91-D94 WeakPolarHBondContact CB-OD2 3.32Å; S91-D94 PolarHBondContact N-OD2 3.4Å; S91-D94 WeakPolarHBondContact O-CB 3.43Å; S91-D94 PolarHBondContact O-N 3.06Å; S91-D94 VanDerWaalsContact OG-CG 3.22Å; S91-D94 PolarHBondContact OG-N 3.37Å; S91-D94 VanDerWaalsContact OG-N 3.12Å; S91-D94 PolarHBondContact OG-OD2 3.34Å; S91-E95 PolarHBondContact O-N 3.1Å
92V95.6Very high86.1Confident0 Ų062.7 Ų62.70%036%0.355CS..Hα-helixtrans-58.4-28.9173.81790000111L65 Y68 Y69 Q72 Q73 R76 A96L65-V92 HydrophobicContact CD1-CG1 3.89Å; Y68-V92 HydrophobicContact CD1-CG1 4.22Å; Y68-V92 HydrophobicContact CE1-CG1 3.76Å; Y69-V92 HydrophobicContact CD2-CB 3.86Å; Y69-V92 HydrophobicContact CD2-CG1 3.95Å; Y69-V92 HydrophobicContact CD2-CG2 4.43Å; Y69-V92 HydrophobicContact CE2-CB 4.04Å; Y69-V92 HydrophobicContact CE2-CG2 4.43Å; Q72-V92 HydrophobicContact CB-CG1 4.02Å; Q72-V92 HydrophobicContact CB-CG2 4.11Å; Q72-V92 HydrophobicContact CG-CB 4.45Å; Q72-V92 HydrophobicContact CG-CG1 3.92Å; Q72-V92 HydrophobicContact CG-CG2 3.68Å; Q73-V92 HydrophobicContact CG-CG2 4.15Å; Q73-V92 VanDerWaalsContact NE2-CG2 3.33Å; R76-V92 VanDerWaalsContact CZ-CG2 3.43Å; V92-A96 WeakPolarHBondContact O-CB 3.46Å; V92-A96 PolarHBondContact O-N 3.36Å
93M96.9Very high87.3Confident21 Ų2161.7 Ų61.710%0.10335%0.346CS..Hα-helixtrans-67.4-41.1175.6-43.2-45.5-59.100111.4P60 T61 V62 L65 Y69 S91 Y97P60-M93 HydrophobicContact CB-CE 3.94Å; P60-M93 HydrophobicContact CG-CE 3.76Å; P60-M93 WeakPolarHBondContact O-CE 3.32Å; T61-M93 WeakPolarHBondContact O-CE 3.47Å; V62-M93 HydrophobicContact CG2-SD 4.05Å; L65-M93 HydrophobicContact CD1-CE 3.34Å; L65-M93 HydrophobicContact CD1-SD 3.33Å; L65-M93 WeakPolarHBondContact CD1-SD 3.29Å; L65-M93 HydrophobicContact CG-CE 3.66Å; L65-M93 HydrophobicContact CG-SD 4.25Å; Y69-M93 HydrophobicContact CD2-SD 3.74Å; Y69-M93 HydrophobicContact CE2-SD 3.86Å; S91-M93 PolarHBondContact O-N 3.48Å; S91-M93 VanDerWaalsContact O-N 3.15Å; S91-M93 PolarHBondContact OG-N 3.41Å; M93-Y97 WeakPolarHBondContact O-CB 3.45Å; M93-Y97 PolarHBondContact O-N 3.32Å
94D95.9Very high88.4Confident49 Ų4954.4 Ų54.426%0.26231%0.307SS..Hα-helixtrans-65-44.8176.4-65.1-60.2000111.2R59 P90 S91 Y97 K98R59-D94 IonicContact CZ-OD1 3.96Å; R59-D94 IonicContact NE-OD1 2.88Å; R59-D94 PolarHBondContact NE-OD1 3.2Å; R59-D94 IonicContact NH2-OD1 3.33Å; R59-D94 PolarHBondContact NH2-OD1 2.99Å; P90-D94 HydrophobicContact CB-CB 3.94Å; S91-D94 VanDerWaalsContact CB-OD2 3.26Å; S91-D94 WeakPolarHBondContact CB-OD2 3.32Å; S91-D94 PolarHBondContact N-OD2 3.4Å; S91-D94 WeakPolarHBondContact O-CB 3.43Å; S91-D94 PolarHBondContact O-N 3.06Å; S91-D94 VanDerWaalsContact OG-CG 3.22Å; S91-D94 PolarHBondContact OG-N 3.37Å; S91-D94 VanDerWaalsContact OG-N 3.12Å; S91-D94 PolarHBondContact OG-OD2 3.34Å; D94-Y97 PolarHBondContact O-N 2.79Å; D94-K98 WeakPolarHBondContact O-CB 3.05Å; D94-K98 PolarHBondContact O-N 3.07Å
95E95.8Very high90.1Very high55 Ų5551 Ų5126%0.25730%0.296SS..Hα-helixtrans-62.9-49.1178.3-76.5175.5-16900111.7Q72 R76 P90 S91 Y97 K98 E99Q72-E95 PolarHBondContact NE2-OE2 3.27Å; R76-E95 IonicContact CZ-OE1 3.72Å; R76-E95 IonicContact CZ-OE2 3.42Å; R76-E95 IonicContact NE-OE2 3.7Å; R76-E95 IonicContact NH2-OE1 3.44Å; R76-E95 PolarHBondContact NH2-OE1 3.39Å; R76-E95 IonicContact NH2-OE2 3.5Å; R76-E95 PolarHBondContact NH2-OE2 3.31Å; P90-E95 HydrophobicContact CB-CG 4.38Å; S91-E95 PolarHBondContact O-N 3.1Å; E95-Y97 VanDerWaalsContact C-N 3.29Å; E95-Y97 PolarHBondContact O-N 3.27Å; E95-K98 PolarHBondContact O-N 3.36Å; E95-E99 PolarHBondContact O-N 3.04Å
96A97.8Very high91.8Very high0 Ų051.5 Ų51.50%030%0.297CS..Hα-helixtrans-61.2-41.1178.800000111.8P60 L65 V92 F100 L186 T300P60-A96 HydrophobicContact CG-CB 4.36Å; L65-A96 HydrophobicContact CD1-CB 4.13Å; L65-A96 HydrophobicContact CD2-CB 3.63Å; V92-A96 WeakPolarHBondContact O-CB 3.46Å; V92-A96 PolarHBondContact O-N 3.36Å; A96-F100 PolarHBondContact O-N 2.98Å; A96-L186 HydrophobicContact CB-CD1 3.92Å; A96-T300 HydrophobicContact CB-CG2 4.36Å
97Y97.9Very high93.3Very high11 Ų1152.5 Ų52.54%0.04329%0.287CS..Hα-helixtrans-70.2-37.9177.8-170.8-115.4000112.8T57 D58 R59 M93 D94 E95 E99 F100 V101 D155T57-Y97 VanDerWaalsContact C-OH 3.23Å; T57-Y97 PolarHBondContact O-OH 2.99Å; T57-Y97 PolarHBondContact OG1-OH 2.96Å; D58-Y97 VanDerWaalsContact C-CD2 3.48Å; D58-Y97 VanDerWaalsContact CA-CZ 3.5Å; D58-Y97 WeakPolarHBondContact CA-OH 3.38Å; D58-Y97 PolarHBondContact N-OH 2.88Å; D58-Y97 WeakPolarHBondContact O-CD2 3.34Å; D58-Y97 WeakPolarHBondContact O-CE2 3.32Å; R59-Y97 HydrophobicContact CB-CG 4.42Å; R59-Y97 HydrophobicContact CG-CD1 3.93Å; R59-Y97 HydrophobicContact CG-CG 3.97Å; M93-Y97 WeakPolarHBondContact O-CB 3.45Å; M93-Y97 PolarHBondContact O-N 3.32Å; D94-Y97 PolarHBondContact O-N 2.79Å; E95-Y97 VanDerWaalsContact C-N 3.29Å; E95-Y97 PolarHBondContact O-N 3.27Å; Y97-E99 VanDerWaalsContact C-N 3.34Å; Y97-F100 AromaticContact CD2-CD1 3.8Å; Y97-F100 HydrophobicContact CD2-CD1 3.8Å; Y97-F100 AromaticContact CE2-CD1 3.56Å; Y97-F100 HydrophobicContact CE2-CD1 3.56Å; Y97-F100 AromaticContact CE2-CE1 3.91Å; Y97-F100 HydrophobicContact CE2-CE1 3.91Å; Y97-F100 WeakPolarHBondContact O-CB 3.42Å; Y97-F100 PolarHBondContact O-N 3.1Å; Y97-V101 HydrophobicContact CD1-CG2 4.11Å; Y97-V101 HydrophobicContact CE1-CG2 3.65Å; Y97-V101 HydrophobicContact CE2-CG2 4.1Å; Y97-V101 WeakPolarHBondContact O-CG2 3.26Å; Y97-V101 PolarHBondContact O-N 3.24Å; Y97-D155 WeakPolarHBondContact CE1-OD2 3.17Å; Y97-D155 WeakPolarHBondContact OH-CB 3.34Å; Y97-D155 PolarHBondContact OH-OD2 3.07Å
98K97.2Very high94.8Very high161 Ų16151.9 Ų51.970%0.727%0.268SS*.Hα-helixtrans-60.9-45.4175.2-179.3-174.9176-171.10111D94 E95 F100 V101 M102D94-K98 WeakPolarHBondContact O-CB 3.05Å; D94-K98 PolarHBondContact O-N 3.07Å; E95-K98 PolarHBondContact O-N 3.36Å; K98-F100 VanDerWaalsContact C-N 3.34Å; K98-V101 PolarHBondContact O-N 2.95Å; K98-M102 WeakPolarHBondContact O-CB 3.49Å; K98-M102 PolarHBondContact O-N 2.9Å
99E97.9Very high95.9Very high17 Ų1744.4 Ų44.48%0.07923%0.228CC..Hα-helixtrans-61.9-44.1175-178.556.5-142.100110.9E95 Y97 V101 M102 Q103 A182 H185 L186E95-E99 PolarHBondContact O-N 3.04Å; Y97-E99 VanDerWaalsContact C-N 3.34Å; E99-V101 PolarHBondContact O-N 3.5Å; E99-M102 VanDerWaalsContact CD-CE 3.43Å; E99-M102 WeakPolarHBondContact O-CB 3.41Å; E99-M102 PolarHBondContact O-N 3.47Å; E99-M102 WeakPolarHBondContact OE1-CE 3.4Å; E99-M102 WeakPolarHBondContact OE2-CE 3.37Å; E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 3.42Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.24Å; E99-Q103 PolarHBondContact OE1-NE2 2.91Å; E99-A182 HydrophobicContact CB-CB 4.4Å; E99-A182 HydrophobicContact CG-CB 3.76Å; E99-H185 HydrophobicContact CG-CB 4.37Å; E99-H185 IonicContact OE1-CG 2.67Å; E99-H185 IonicContact OE1-ND1 3.16Å; E99-H185 IonicContact OE2-CE1 3.43Å; E99-H185 IonicContact OE2-ND1 2.82Å; E99-H185 PolarHBondContact OE2-ND1 2.91Å; E99-L186 HydrophobicContact CB-CD1 4.3Å; E99-L186 HydrophobicContact CB-CD2 3.93Å; E99-L186 HydrophobicContact CB-CG 4.14Å; E99-L186 HydrophobicContact CG-CD1 4.39Å; E99-L186 HydrophobicContact CG-CD2 4.13Å; E99-L186 HydrophobicContact CG-CG 3.96Å
100F98.3Very high96.8Very high0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-55.7-50.2173.3168.4-104.4000112.9T57 A96 Y97 K98 M102 Q103 L104 V175 A178 A182 T300 Y301T57-F100 HydrophobicContact CG2-CE1 4.07Å; T57-F100 HydrophobicContact CG2-CZ 4.13Å; A96-F100 PolarHBondContact O-N 2.98Å; Y97-F100 AromaticContact CD2-CD1 3.8Å; Y97-F100 HydrophobicContact CD2-CD1 3.8Å; Y97-F100 AromaticContact CE2-CD1 3.56Å; Y97-F100 HydrophobicContact CE2-CD1 3.56Å; Y97-F100 AromaticContact CE2-CE1 3.91Å; Y97-F100 HydrophobicContact CE2-CE1 3.91Å; Y97-F100 WeakPolarHBondContact O-CB 3.42Å; Y97-F100 PolarHBondContact O-N 3.1Å; K98-F100 VanDerWaalsContact C-N 3.34Å; F100-M102 VanDerWaalsContact C-N 3.3Å; F100-M102 PolarHBondContact O-N 2.86Å; F100-Q103 PolarHBondContact O-N 2.94Å; F100-L104 HydrophobicContact CE1-CD2 3.79Å; F100-L104 HydrophobicContact CE2-CD1 4.25Å; F100-L104 HydrophobicContact CZ-CB 4.34Å; F100-L104 HydrophobicContact CZ-CD1 3.99Å; F100-L104 HydrophobicContact CZ-CD2 3.73Å; F100-L104 HydrophobicContact CZ-CG 4.25Å; F100-L104 VanDerWaalsContact O-CB 3.28Å; F100-L104 WeakPolarHBondContact O-CB 3.35Å; F100-L104 PolarHBondContact O-N 3.38Å; F100-V175 HydrophobicContact CE2-CG1 4.11Å; F100-V175 HydrophobicContact CZ-CG1 3.95Å; F100-A178 HydrophobicContact CD2-CB 4.49Å; F100-A178 HydrophobicContact CE2-CB 4.19Å; F100-A182 HydrophobicContact CB-CB 4.3Å; F100-T300 WeakPolarHBondContact CB-OG1 3.2Å; F100-Y301 HydrophobicContact CD1-CG 4.44Å; F100-Y301 AromaticContact CD2-CD1 3.96Å; F100-Y301 HydrophobicContact CD2-CD1 3.96Å; F100-Y301 HydrophobicContact CD2-CG 4.26Å; F100-Y301 HydrophobicContact CE1-CG 4.04Å; F100-Y301 AromaticContact CE2-CD1 3.65Å; F100-Y301 HydrophobicContact CE2-CD1 3.65Å; F100-Y301 HydrophobicContact CE2-CE1 4.28Å; F100-Y301 AromaticContact CE2-CG 3.85Å; F100-Y301 HydrophobicContact CE2-CG 3.85Å; F100-Y301 HydrophobicContact CZ-CD1 4.02Å; F100-Y301 HydrophobicContact CZ-CD2 4.16Å; F100-Y301 AromaticContact CZ-CG 3.71Å; F100-Y301 HydrophobicContact CZ-CG 3.71Å
101V98.1Very high97.3Very high27 Ų2743.6 Ų43.616%0.16421%0.213CC..Hα-helixtrans-62.2-39.9179.2168.70000110.9Y97 K98 E99 Q103 L104 A105 F144Y97-V101 HydrophobicContact CD1-CG2 4.11Å; Y97-V101 HydrophobicContact CE1-CG2 3.65Å; Y97-V101 HydrophobicContact CE2-CG2 4.1Å; Y97-V101 WeakPolarHBondContact O-CG2 3.26Å; Y97-V101 PolarHBondContact O-N 3.24Å; K98-V101 PolarHBondContact O-N 2.95Å; E99-V101 PolarHBondContact O-N 3.5Å; V101-Q103 PolarHBondContact O-N 3.01Å; V101-L104 PolarHBondContact O-N 3.27Å; V101-A105 VanDerWaalsContact O-CB 3.29Å; V101-A105 WeakPolarHBondContact O-CB 3.39Å; V101-A105 PolarHBondContact O-N 3.36Å; V101-F144 HydrophobicContact CG1-CE1 4.24Å; V101-F144 HydrophobicContact CG1-CE2 4.2Å; V101-F144 HydrophobicContact CG1-CZ 3.57Å
102M98Very high97.6Very high99 Ų9944.7 Ų44.749%0.48821%0.213SC..Hα-helixtrans-59.2-46.4174.5-173.2179.174.200111.3K98 E99 F100 S106K98-M102 WeakPolarHBondContact O-CB 3.49Å; K98-M102 PolarHBondContact O-N 2.9Å; E99-M102 VanDerWaalsContact CD-CE 3.43Å; E99-M102 WeakPolarHBondContact O-CB 3.41Å; E99-M102 PolarHBondContact O-N 3.47Å; E99-M102 WeakPolarHBondContact OE1-CE 3.4Å; E99-M102 WeakPolarHBondContact OE2-CE 3.37Å; F100-M102 VanDerWaalsContact C-N 3.3Å; F100-M102 PolarHBondContact O-N 2.86Å; M102-S106 VanDerWaalsContact O-CB 3.27Å; M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 3.17Å
103Q98.2Very high97.7Very high19 Ų1944.8 Ų44.89%0.08921%0.213CC..Hα-helixtrans-66.8-37.9175.8-63-58-36.200112.3E99 F100 V101 S106 T109 A178 R181 A182E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 3.42Å; E99-Q103 WeakPolarHBondContact OE1-CG 3.24Å; E99-Q103 PolarHBondContact OE1-NE2 2.91Å; F100-Q103 PolarHBondContact O-N 2.94Å; V101-Q103 PolarHBondContact O-N 3.01Å; Q103-S106 PolarHBondContact O-N 3.29Å; Q103-T109 WeakPolarHBondContact O-CB 3.47Å; Q103-T109 WeakPolarHBondContact O-CG2 3.27Å; Q103-T109 PolarHBondContact O-OG1 3.27Å; Q103-T109 PolarHBondContact OE1-OG1 2.88Å; Q103-A178 HydrophobicContact CB-CB 4.28Å; Q103-R181 HydrophobicContact CG-CB 4.14Å; Q103-R181 VanDerWaalsContact OE1-NE 3.13Å; Q103-A182 HydrophobicContact CG-CB 4.04Å
104L98Very high97.8Very high0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-71.1-29.9-179.5-168.274.7000112.9F100 V101 F144 V157 Y174 V175 A178F100-L104 HydrophobicContact CE1-CD2 3.79Å; F100-L104 HydrophobicContact CE2-CD1 4.25Å; F100-L104 HydrophobicContact CZ-CB 4.34Å; F100-L104 HydrophobicContact CZ-CD1 3.99Å; F100-L104 HydrophobicContact CZ-CD2 3.73Å; F100-L104 HydrophobicContact CZ-CG 4.25Å; F100-L104 VanDerWaalsContact O-CB 3.28Å; F100-L104 WeakPolarHBondContact O-CB 3.35Å; F100-L104 PolarHBondContact O-N 3.38Å; V101-L104 PolarHBondContact O-N 3.27Å; L104-F144 HydrophobicContact CD2-CD2 3.84Å; L104-F144 HydrophobicContact CD2-CE2 3.93Å; L104-F144 HydrophobicContact CG-CD2 4.16Å; L104-V157 HydrophobicContact CD1-CG1 4.29Å; L104-V157 HydrophobicContact CD2-CB 4.21Å; L104-V157 HydrophobicContact CD2-CG1 4.08Å; L104-V157 HydrophobicContact CG-CB 4.48Å; L104-Y174 HydrophobicContact CD1-CD1 4.04Å; L104-Y174 HydrophobicContact CD1-CE1 3.55Å; L104-Y174 HydrophobicContact CG-CE1 4.32Å; L104-Y174 PolarHBondContact O-OH 3.2Å; L104-V175 HydrophobicContact CD1-CG2 4.19Å; L104-A178 HydrophobicContact CB-CB 4.28Å; L104-A178 HydrophobicContact CD1-CB 3.88Å
105A97.8Very high97.9Very high34 Ų3444.6 Ų44.628%0.28121%0.212SC..Hα-helixtrans-89-22.4177.600000112.7V101 W107 R110 F144V101-A105 VanDerWaalsContact O-CB 3.29Å; V101-A105 WeakPolarHBondContact O-CB 3.39Å; V101-A105 PolarHBondContact O-N 3.36Å; A105-W107 PolarHBondContact O-N 3.46Å; A105-R110 PolarHBondContact O-NH2 3.17Å; A105-F144 HydrophobicContact CB-CB 4.34Å; A105-F144 HydrophobicContact CB-CD1 3.46Å; A105-F144 VanDerWaalsContact CB-CD1 3.46Å; A105-F144 HydrophobicContact CB-CE1 3.82Å; A105-F144 HydrophobicContact CB-CG 3.85Å; A105-F144 HydrophobicContact CB-CZ 4.5Å
106S97.9Very high97.9Very high34 Ų3446.5 Ų46.524%0.23822%0.221CC..  trans-57.9135-174173.50000112.6M102 Q103 D108 T109 R110M102-S106 VanDerWaalsContact O-CB 3.27Å; M102-S106 WeakPolarHBondContact O-CB 3.49Å; M102-S106 PolarHBondContact O-N 3.17Å; Q103-S106 PolarHBondContact O-N 3.29Å; S106-D108 PolarHBondContact OG-N 3.4Å; S106-T109 PolarHBondContact OG-N 3.46Å; S106-R110 WeakPolarHBondContact O-CG 3.35Å; S106-R110 PolarHBondContact O-N 3.05Å; S106-R110 PolarHBondContact O-NE 3.44Å; S106-R110 VanDerWaalsContact O-NE 3.12Å
107W97.1Very high97.9Very high116 Ų11647.1 Ų47.144%0.43923%0.225SC..Hα-helixtrans-66.1-41.8172.4-174.598.1000110.9A105 T109 R110 R111 I139A105-W107 PolarHBondContact O-N 3.46Å; W107-T109 PolarHBondContact O-N 3.17Å; W107-R110 PolarHBondContact O-N 3.46Å; W107-R111 HydrophobicContact CE3-CB 4.22Å; W107-R111 HydrophobicContact CH2-CB 4.4Å; W107-R111 HydrophobicContact CH2-CG 4.39Å; W107-R111 HydrophobicContact CZ3-CB 4.05Å; W107-R111 HydrophobicContact CZ3-CG 4.27Å; W107-R111 PolarHBondContact O-N 3.42Å; W107-I139 HydrophobicContact CG-CG2 4.28Å; W107-I139 HydrophobicContact CH2-CD1 4.18Å; W107-I139 HydrophobicContact CZ2-CD1 3.62Å
108D97.6Very high97.8Very high92 Ų9251.3 Ų51.349%0.49225%0.248SC..Hα-helixtrans-63.2-41.4179.2-69-37.5000111.6S106 R110 R111 E112S106-D108 PolarHBondContact OG-N 3.4Å; D108-R110 VanDerWaalsContact C-N 3.33Å; D108-R110 PolarHBondContact O-N 3.25Å; D108-R111 PolarHBondContact O-N 3.33Å; D108-E112 WeakPolarHBondContact O-CB 3.38Å; D108-E112 WeakPolarHBondContact O-CG 3.33Å; D108-E112 PolarHBondContact O-N 3.34Å
109T98.2Very high97.8Very high0 Ų044.5 Ų44.50%022%0.218CC..Hα-helixtrans-62.8-40.5176.4-610000111.8Q103 S106 W107 F113 Y174 F177 A178 R181Q103-T109 WeakPolarHBondContact O-CB 3.47Å; Q103-T109 WeakPolarHBondContact O-CG2 3.27Å; Q103-T109 PolarHBondContact O-OG1 3.27Å; Q103-T109 PolarHBondContact OE1-OG1 2.88Å; S106-T109 PolarHBondContact OG-N 3.46Å; W107-T109 PolarHBondContact O-N 3.17Å; T109-F113 VanDerWaalsContact O-CB 3.25Å; T109-F113 WeakPolarHBondContact O-CB 3.42Å; T109-F113 PolarHBondContact O-N 2.98Å; T109-Y174 HydrophobicContact CG2-CE2 4.02Å; T109-F177 HydrophobicContact CG2-CD1 4Å; T109-F177 HydrophobicContact CG2-CE1 3.98Å; T109-A178 HydrophobicContact CG2-CB 4.34Å; T109-R181 PolarHBondContact OG1-NE 2.86Å
110R98.4Very high97.8Very high39 Ų3944.3 Ų44.315%0.14722%0.216CC..Hα-helixtrans-64.5-43.7174.9-71.8177.9-84.1165.8-5.2111.5A105 S106 W107 D108 F113 W114 I139 I142 Y174A105-R110 PolarHBondContact O-NH2 3.17Å; S106-R110 WeakPolarHBondContact O-CG 3.35Å; S106-R110 PolarHBondContact O-N 3.05Å; S106-R110 PolarHBondContact O-NE 3.44Å; S106-R110 VanDerWaalsContact O-NE 3.12Å; W107-R110 PolarHBondContact O-N 3.46Å; D108-R110 VanDerWaalsContact C-N 3.33Å; D108-R110 PolarHBondContact O-N 3.25Å; R110-F113 PolarHBondContact O-N 2.92Å; R110-W114 PolarHBondContact O-N 3.47Å; R110-W114 VanDerWaalsContact O-N 3.12Å; R110-I139 HydrophobicContact CB-CG2 3.97Å; R110-I142 HydrophobicContact CB-CD1 4.46Å; R110-I142 WeakPolarHBondContact CD-O 3.49Å; R110-I142 HydrophobicContact CG-CB 3.97Å; R110-I142 HydrophobicContact CG-CD1 4.17Å; R110-I142 HydrophobicContact CG-CG2 3.95Å; R110-I142 PolarHBondContact NH1-O 3.37Å; R110-I142 VanDerWaalsContact NH1-O 3.13Å; R110-Y174 HydrophobicContact CG-CE2 3.87Å; R110-Y174 WeakPolarHBondContact CG-OH 3.07Å
111R98.3Very high97.7Very high94 Ų9448.9 Ų48.936%0.35524%0.237SC..Hα-helixtrans-60.4-52.9177.2175.7171.3178.7-78-1.6111.8W107 D108 F113 W114 L115 L135 I139W107-R111 HydrophobicContact CE3-CB 4.22Å; W107-R111 HydrophobicContact CH2-CB 4.4Å; W107-R111 HydrophobicContact CH2-CG 4.39Å; W107-R111 HydrophobicContact CZ3-CB 4.05Å; W107-R111 HydrophobicContact CZ3-CG 4.27Å; W107-R111 PolarHBondContact O-N 3.42Å; D108-R111 PolarHBondContact O-N 3.33Å; R111-F113 VanDerWaalsContact C-N 3.29Å; R111-F113 PolarHBondContact O-N 2.76Å; R111-W114 PolarHBondContact O-N 3.43Å; R111-L115 HydrophobicContact CG-CD1 3.97Å; R111-L115 HydrophobicContact CG-CG 4.41Å; R111-L115 WeakPolarHBondContact O-CG 3.46Å; R111-L115 PolarHBondContact O-N 3.02Å; R111-L135 HydrophobicContact CG-CD2 4.32Å; R111-I139 HydrophobicContact CB-CD1 3.66Å; R111-I139 HydrophobicContact CB-CG1 4.17Å; R111-I139 HydrophobicContact CG-CD1 4.02Å
112E98.2Very high97.6Very high70 Ų7054.9 Ų54.933%0.32726%0.263SS..Hα-helixtrans-62-39.5-179.6-73.4179.1-17000111.8D108 W114 L115 Q116 F177 R181D108-E112 WeakPolarHBondContact O-CB 3.38Å; D108-E112 WeakPolarHBondContact O-CG 3.33Å; D108-E112 PolarHBondContact O-N 3.34Å; E112-W114 VanDerWaalsContact C-N 3.32Å; E112-W114 PolarHBondContact O-N 3.15Å; E112-L115 PolarHBondContact O-N 3.18Å; E112-Q116 WeakPolarHBondContact O-CG 3.43Å; E112-Q116 PolarHBondContact O-N 2.84Å; E112-F177 HydrophobicContact CB-CE1 4.31Å; E112-F177 HydrophobicContact CB-CZ 4.22Å; E112-R181 IonicContact OE1-NH1 3.45Å; E112-R181 IonicContact OE2-CZ 3.5Å; E112-R181 IonicContact OE2-NE 2.72Å; E112-R181 IonicContact OE2-NH1 3.16Å; E112-R181 PolarHBondContact OE2-NH1 3.05Å; E112-R181 IonicContact OE2-NH2 2.75Å
113F98.5Very high97.5Very high3 Ų353 Ų531%0.01325%0.25CC..Hα-helixtrans-55.2-48.3173.1173.1-103.6000111.6T109 R110 R111 Q116 T117 I142 L170 Q173 Y174 F177T109-F113 VanDerWaalsContact O-CB 3.25Å; T109-F113 WeakPolarHBondContact O-CB 3.42Å; T109-F113 PolarHBondContact O-N 2.98Å; R110-F113 PolarHBondContact O-N 2.92Å; R111-F113 VanDerWaalsContact C-N 3.29Å; R111-F113 PolarHBondContact O-N 2.76Å; F113-Q116 VanDerWaalsContact O-CG 3.27Å; F113-Q116 WeakPolarHBondContact O-CG 3.27Å; F113-Q116 PolarHBondContact O-N 3.32Å; F113-T117 WeakPolarHBondContact O-CB 3.37Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 3.34Å; F113-I142 HydrophobicContact CD1-CD1 3.79Å; F113-I142 HydrophobicContact CE1-CD1 4.15Å; F113-L170 HydrophobicContact CZ-CD2 4.31Å; F113-Q173 HydrophobicContact CE2-CB 3.87Å; F113-Q173 HydrophobicContact CZ-CB 4.14Å; F113-Y174 HydrophobicContact CB-CD2 3.81Å; F113-Y174 HydrophobicContact CB-CE2 4.14Å; F113-Y174 AromaticContact CD1-CD2 3.79Å; F113-Y174 HydrophobicContact CD1-CD2 3.79Å; F113-Y174 HydrophobicContact CD1-CG 4.42Å; F113-Y174 AromaticContact CD2-CD2 3.96Å; F113-Y174 HydrophobicContact CD2-CD2 3.96Å; F113-Y174 HydrophobicContact CE1-CD2 4.36Å; F113-Y174 AromaticContact CG-CD2 3.56Å; F113-Y174 HydrophobicContact CG-CD2 3.56Å; F113-Y174 HydrophobicContact CG-CE2 4.37Å; F113-Y174 HydrophobicContact CG-CG 4.45Å; F113-F177 HydrophobicContact CB-CD1 3.75Å; F113-F177 HydrophobicContact CB-CE1 3.87Å; F113-F177 HydrophobicContact CD2-CB 4.12Å; F113-F177 HydrophobicContact CD2-CD1 4.04Å; F113-F177 HydrophobicContact CD2-CG 4.19Å; F113-F177 HydrophobicContact CG-CD1 4.37Å
114W98.4Very high97.4Very high1 Ų155.9 Ų55.90%0.00427%0.265CS..Hα-helixtrans-67.1-43.5179.2-69.9125.5000112.7R110 R111 E112 Q116 T117 Y119 Y120 L135 M138 I142 L159 L170R110-W114 PolarHBondContact O-N 3.47Å; R110-W114 VanDerWaalsContact O-N 3.12Å; R111-W114 PolarHBondContact O-N 3.43Å; E112-W114 VanDerWaalsContact C-N 3.32Å; E112-W114 PolarHBondContact O-N 3.15Å; W114-Q116 PolarHBondContact O-N 2.93Å; W114-Q116 VanDerWaalsContact O-N 3.14Å; W114-T117 PolarHBondContact O-N 3.04Å; W114-Y119 HydrophobicContact CH2-CD1 4.47Å; W114-Y119 AromaticContact CZ3-CD1 3.88Å; W114-Y119 HydrophobicContact CZ3-CD1 3.88Å; W114-Y120 HydrophobicContact CB-CG 4.32Å; W114-Y120 VanDerWaalsContact O-CB 3.23Å; W114-Y120 WeakPolarHBondContact O-CB 3.33Å; W114-Y120 WeakPolarHBondContact O-CD1 3.17Å; W114-L135 HydrophobicContact CB-CD1 3.74Å; W114-M138 HydrophobicContact CD2-CB 4.09Å; W114-M138 HydrophobicContact CD2-CE 3.79Å; W114-M138 HydrophobicContact CE3-CE 3.33Å; W114-M138 HydrophobicContact CG-CB 4.11Å; W114-M138 HydrophobicContact CH2-CE 3.79Å; W114-M138 HydrophobicContact CZ2-CB 4.44Å; W114-M138 HydrophobicContact CZ2-CE 4.21Å; W114-M138 HydrophobicContact CZ3-CE 3.34Å; W114-M138 PolarHBondContact NE1-O 3.25Å; W114-I142 HydrophobicContact CZ2-CD1 3.72Å; W114-I142 HydrophobicContact CZ2-CG1 3.7Å; W114-L159 HydrophobicContact CH2-CD1 4.11Å; W114-L159 HydrophobicContact CZ2-CD1 4.16Å; W114-L170 HydrophobicContact CH2-CD1 4.1Å; W114-L170 HydrophobicContact CZ3-CD1 4.18Å; W114-L170 HydrophobicContact CZ3-CD2 4.09Å
115L97.6Very high97.2Very high65 Ų6561.1 Ų61.134%0.3430%0.296SS..Hα-helixtrans-57-33.6-179.8-72.7174.2000113.4R111 E112 Y120 K121 L135R111-L115 HydrophobicContact CG-CD1 3.97Å; R111-L115 HydrophobicContact CG-CG 4.41Å; R111-L115 WeakPolarHBondContact O-CG 3.46Å; R111-L115 PolarHBondContact O-N 3.02Å; E112-L115 PolarHBondContact O-N 3.18Å; L115-Y120 HydrophobicContact CD2-CE1 3.93Å; L115-K121 VanDerWaalsContact O-CE 3.25Å; L115-K121 WeakPolarHBondContact O-CE 3.4Å; L115-L135 HydrophobicContact CD2-CD1 4.38Å; L115-L135 HydrophobicContact CD2-CD2 3.91Å; L115-L135 HydrophobicContact CG-CD1 4.46Å; L115-L135 HydrophobicContact CG-CD2 4.4Å
116Q96.5Very high97Very high94 Ų9462.8 Ų62.844%0.43932%0.317SS..Hα-helixtrans-89.8-16178.570.5-172.5-4.900113.9E112 F113 W114 K121E112-Q116 WeakPolarHBondContact O-CG 3.43Å; E112-Q116 PolarHBondContact O-N 2.84Å; F113-Q116 VanDerWaalsContact O-CG 3.27Å; F113-Q116 WeakPolarHBondContact O-CG 3.27Å; F113-Q116 PolarHBondContact O-N 3.32Å; W114-Q116 PolarHBondContact O-N 2.93Å; W114-Q116 VanDerWaalsContact O-N 3.14Å; Q116-K121 WeakPolarHBondContact O-CE 3.37Å; Q116-K121 PolarHBondContact O-NZ 2.95Å
117T97.1Very high96.9Very high13 Ų1365.2 Ų65.28%0.0833%0.327CS..  trans-85131.3-173.4-60.70000111.9F113 W114 Y119 Y120 K121 L170F113-T117 WeakPolarHBondContact O-CB 3.37Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 3.34Å; W114-T117 PolarHBondContact O-N 3.04Å; T117-Y119 PolarHBondContact O-N 3.34Å; T117-Y120 PolarHBondContact O-N 3.42Å; T117-Y120 VanDerWaalsContact O-N 3.09Å; T117-K121 PolarHBondContact O-N 3.41Å; T117-L170 HydrophobicContact CG2-CD2 3.63Å
118D97.3Very high96.8Very high99 Ų9964.7 Ų64.753%0.52934%0.341SS..Hα-helixtrans-63-29.8-178.8-65-24.3000113Y120 K121 Q122D118-Y120 PolarHBondContact O-N 3.15Å; D118-K121 PolarHBondContact O-N 3.26Å; D118-K121 IonicContact OD1-NZ 3.67Å; D118-K121 PolarHBondContact OD1-NZ 3.35Å; D118-Q122 WeakPolarHBondContact O-CB 3.35Å; D118-Q122 VanDerWaalsContact O-CG 3.24Å; D118-Q122 WeakPolarHBondContact O-CG 3.43Å; D118-Q122 PolarHBondContact O-N 2.95Å
119Y96.9Very high96.8Very high19 Ų1968.4 Ų68.48%0.07535%0.353CS..Hα-helixtrans-55.4-38.1173.9-174.1-89.4000112.9W114 T117 R123 M138 E162 D166 L170W114-Y119 HydrophobicContact CH2-CD1 4.47Å; W114-Y119 AromaticContact CZ3-CD1 3.88Å; W114-Y119 HydrophobicContact CZ3-CD1 3.88Å; T117-Y119 PolarHBondContact O-N 3.34Å; Y119-R123 VanDerWaalsContact CD2-NH1 3.27Å; Y119-R123 VanDerWaalsContact CE2-CZ 3.41Å; Y119-R123 VanDerWaalsContact CE2-NH1 3.3Å; Y119-R123 VanDerWaalsContact CE2-NH2 3.29Å; Y119-R123 WeakPolarHBondContact O-CD 3.36Å; Y119-R123 PolarHBondContact O-NH1 2.79Å; Y119-R123 PolarHBondContact OH-NH2 3.44Å; Y119-M138 HydrophobicContact CD1-CE 3.45Å; Y119-M138 VanDerWaalsContact CD1-CE 3.45Å; Y119-M138 HydrophobicContact CE1-CE 3.67Å; Y119-E162 WeakPolarHBondContact OH-CB 3.42Å; Y119-E162 WeakPolarHBondContact OH-CG 3.49Å; Y119-E162 PolarHBondContact OH-N 2.96Å; Y119-D166 HydrophobicContact CD2-CB 4.3Å; Y119-D166 HydrophobicContact CE2-CB 3.77Å; Y119-D166 WeakPolarHBondContact CE2-OD2 3.37Å; Y119-L170 HydrophobicContact CD1-CD1 3.78Å; Y119-L170 HydrophobicContact CD2-CD1 3.79Å; Y119-L170 HydrophobicContact CE1-CD1 4.01Å; Y119-L170 HydrophobicContact CE2-CD1 4Å; Y119-L170 HydrophobicContact CG-CD1 3.69Å; Y119-L170 HydrophobicContact CG-CD2 4.19Å
120Y97.2Very high96.7Very high12 Ų1270.5 Ų70.55%0.04737%0.37CS..Hα-helixtrans-76.2-48.6173.6166.3-108000111.1W114 L115 T117 D118 Q122 R123 M124 D131 L134 L135 M138W114-Y120 HydrophobicContact CB-CG 4.32Å; W114-Y120 VanDerWaalsContact O-CB 3.23Å; W114-Y120 WeakPolarHBondContact O-CB 3.33Å; W114-Y120 WeakPolarHBondContact O-CD1 3.17Å; L115-Y120 HydrophobicContact CD2-CE1 3.93Å; T117-Y120 PolarHBondContact O-N 3.42Å; T117-Y120 VanDerWaalsContact O-N 3.09Å; D118-Y120 PolarHBondContact O-N 3.15Å; Y120-Q122 VanDerWaalsContact C-N 3.27Å; Y120-Q122 PolarHBondContact O-N 3.45Å; Y120-R123 PolarHBondContact O-N 2.96Å; Y120-M124 HydrophobicContact CD1-SD 4.3Å; Y120-M124 HydrophobicContact CE1-CG 4.15Å; Y120-M124 HydrophobicContact CE1-SD 3.6Å; Y120-M124 HydrophobicContact CE2-CG 4.32Å; Y120-M124 PolarHBondContact O-N 2.89Å; Y120-D131 PolarHBondContact OH-O 3.42Å; Y120-L134 HydrophobicContact CD2-CD2 4.24Å; Y120-L134 HydrophobicContact CD2-CG 4.34Å; Y120-L134 HydrophobicContact CE2-CD2 4.09Å; Y120-L134 HydrophobicContact CE2-CG 4.14Å; Y120-L135 HydrophobicContact CD2-CD1 4.39Å; Y120-L135 HydrophobicContact CE1-CD1 4.43Å; Y120-L135 HydrophobicContact CE2-CB 3.8Å; Y120-L135 HydrophobicContact CE2-CD1 3.95Å; Y120-L135 HydrophobicContact CE2-CG 4.43Å; Y120-M138 HydrophobicContact CD2-CE 4.44Å; Y120-M138 HydrophobicContact CD2-SD 3.61Å; Y120-M138 HydrophobicContact CG-SD 4.38Å
121K96.5Very high96.6Very high97 Ų9769.2 Ų69.242%0.42237%0.366SS..Hα-helixtrans-57.9-37.5-176.9-64.2174.3-169.3153.60113.1L115 Q116 T117 D118 R123 M124L115-K121 VanDerWaalsContact O-CE 3.25Å; L115-K121 WeakPolarHBondContact O-CE 3.4Å; Q116-K121 WeakPolarHBondContact O-CE 3.37Å; Q116-K121 PolarHBondContact O-NZ 2.95Å; T117-K121 PolarHBondContact O-N 3.41Å; D118-K121 PolarHBondContact O-N 3.26Å; D118-K121 IonicContact OD1-NZ 3.67Å; D118-K121 PolarHBondContact OD1-NZ 3.35Å; K121-R123 PolarHBondContact O-N 3.23Å; K121-M124 PolarHBondContact O-N 3.43Å
122Q96.1Very high96.6Very high152 Ų15267.5 Ų67.571%0.7137%0.372SS*.THydrogen-bonded Turntrans-69.1-18.1178.3-71.4171.57.200113.7D118 Y120D118-Q122 WeakPolarHBondContact O-CB 3.35Å; D118-Q122 VanDerWaalsContact O-CG 3.24Å; D118-Q122 WeakPolarHBondContact O-CG 3.43Å; D118-Q122 PolarHBondContact O-N 2.95Å; Y120-Q122 VanDerWaalsContact C-N 3.27Å; Y120-Q122 PolarHBondContact O-N 3.45Å
123R95.2Very high96.5Very high59 Ų5967.1 Ų67.122%0.22338%0.381CS..THydrogen-bonded Turntrans-98.3-6.4-179.7-72.3173173.968.26.4113.1Y119 Y120 K121 L134 E162Y119-R123 VanDerWaalsContact CD2-NH1 3.27Å; Y119-R123 VanDerWaalsContact CE2-CZ 3.41Å; Y119-R123 VanDerWaalsContact CE2-NH1 3.3Å; Y119-R123 VanDerWaalsContact CE2-NH2 3.29Å; Y119-R123 WeakPolarHBondContact O-CD 3.36Å; Y119-R123 PolarHBondContact O-NH1 2.79Å; Y119-R123 PolarHBondContact OH-NH2 3.44Å; Y120-R123 PolarHBondContact O-N 2.96Å; K121-R123 PolarHBondContact O-N 3.23Å; R123-L134 HydrophobicContact CB-CD2 3.71Å; R123-L134 WeakPolarHBondContact O-CD2 2.98Å; R123-E162 IonicContact CZ-OE1 3.25Å; R123-E162 IonicContact CZ-OE2 3.72Å; R123-E162 IonicContact NE-OE1 3.66Å; R123-E162 PolarHBondContact NE-OE1 3.43Å; R123-E162 IonicContact NE-OE2 3.6Å; R123-E162 PolarHBondContact NE-OE2 3.26Å; R123-E162 VanDerWaalsContact NH2-CD 3.28Å; R123-E162 IonicContact NH2-OE1 3.38Å; R123-E162 IonicContact NH2-OE2 3.88Å; R123-E162 PolarHBondContact NH2-OE2 3.02Å
124M95.3Very high96.4Very high80 Ų8068.1 Ų68.139%0.39439%0.386SS..  trans-67.8141.6173.2-70.3178.845.300110.7Y120 K121 D131Y120-M124 HydrophobicContact CD1-SD 4.3Å; Y120-M124 HydrophobicContact CE1-CG 4.15Å; Y120-M124 HydrophobicContact CE1-SD 3.6Å; Y120-M124 HydrophobicContact CE2-CG 4.32Å; Y120-M124 PolarHBondContact O-N 2.89Å; K121-M124 PolarHBondContact O-N 3.43Å; M124-D131 WeakPolarHBondContact CA-OD1 3.16Å; M124-D131 HydrophobicContact CG-CB 4.41Å
125V95.1Very high96.4Very high110 Ų11069 Ų6967%0.66739%0.391SS*.  trans-107.1-1.8178.4-61.60000112.5N127 A130 D131V125-N127 VanDerWaalsContact C-N 3.27Å; V125-N127 HydrophobicContact CG2-CB 4.01Å; V125-N127 PolarHBondContact O-N 2.65Å; V125-A130 HydrophobicContact CG2-CB 3.77Å; V125-D131 PolarHBondContact N-OD1 2.57Å
126G94.2Very high96.4Very high69 Ų6969.9 Ų69.971%0.71140%0.396SS*.SBendtrans807-179.800000113.8D131G126-D131 VanDerWaalsContact CA-OD2 3.29Å; G126-D131 WeakPolarHBondContact CA-OD2 3.34Å; G126-D131 PolarHBondContact N-OD2 2.99Å
127N96Very high96.4Very high85 Ų8569.1 Ų69.146%0.45539%0.393SS..  trans-98.3118172.3179.4-65000108.8V125 K129 A130 D131V125-N127 VanDerWaalsContact C-N 3.27Å; V125-N127 HydrophobicContact CG2-CB 4.01Å; V125-N127 PolarHBondContact O-N 2.65Å; N127-K129 VanDerWaalsContact C-N 3.29Å; N127-K129 PolarHBondContact O-N 3.33Å; N127-K129 VanDerWaalsContact O-N 3.17Å; N127-K129 PolarHBondContact OD1-N 3.05Å; N127-A130 HydrophobicContact CB-CB 3.97Å; N127-A130 PolarHBondContact O-N 3.12Å; N127-A130 VanDerWaalsContact O-N 3.09Å; N127-A130 PolarHBondContact OD1-N 2.99Å; N127-A130 VanDerWaalsContact OD1-N 3.08Å; N127-D131 PolarHBondContact N-OD2 2.72Å; N127-D131 WeakPolarHBondContact O-CB 3.38Å; N127-D131 PolarHBondContact O-N 3.15Å
128S94.8Very high96.4Very high105 Ų10568.6 Ų68.673%0.73439%0.389SS*.Hα-helixtrans-55.4-38.9-174.257.60000114.3A132S128-A132 WeakPolarHBondContact O-CB 3.1Å; S128-A132 PolarHBondContact O-N 3.41Å
129K96.2Very high96.4Very high171 Ų17163.9 Ų63.974%0.74336%0.364SS*.Hα-helixtrans-72.2-43.3179-175.7178.8178.9-179.70111.5N127 A133N127-K129 VanDerWaalsContact C-N 3.29Å; N127-K129 PolarHBondContact O-N 3.33Å; N127-K129 VanDerWaalsContact O-N 3.17Å; N127-K129 PolarHBondContact OD1-N 3.05Å; K129-A133 PolarHBondContact O-N 2.86Å; K129-A133 VanDerWaalsContact O-N 3.11Å
130A96.5Very high96.4Very high43 Ų4366.8 Ų66.836%0.35538%0.381SS..Hα-helixtrans-67.3-44.2178.900000111.3V125 N127 A132 A133 L134V125-A130 HydrophobicContact CG2-CB 3.77Å; N127-A130 HydrophobicContact CB-CB 3.97Å; N127-A130 PolarHBondContact O-N 3.12Å; N127-A130 VanDerWaalsContact O-N 3.09Å; N127-A130 PolarHBondContact OD1-N 2.99Å; N127-A130 VanDerWaalsContact OD1-N 3.08Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 2.75Å; A130-A133 PolarHBondContact O-N 3.41Å; A130-L134 WeakPolarHBondContact O-CB 3.38Å; A130-L134 PolarHBondContact O-N 3.38Å
131D97.1Very high96.5Very high13 Ų1367.4 Ų67.47%0.0739%0.385CS..Hα-helixtrans-66.7-36.5179.8-63.6-20.7000111.2Y120 M124 V125 G126 N127 L134 L135Y120-D131 PolarHBondContact OH-O 3.42Å; M124-D131 WeakPolarHBondContact CA-OD1 3.16Å; M124-D131 HydrophobicContact CG-CB 4.41Å; V125-D131 PolarHBondContact N-OD1 2.57Å; G126-D131 VanDerWaalsContact CA-OD2 3.29Å; G126-D131 WeakPolarHBondContact CA-OD2 3.34Å; G126-D131 PolarHBondContact N-OD2 2.99Å; N127-D131 PolarHBondContact N-OD2 2.72Å; N127-D131 WeakPolarHBondContact O-CB 3.38Å; N127-D131 PolarHBondContact O-N 3.15Å; D131-L134 PolarHBondContact O-N 3.01Å; D131-L135 WeakPolarHBondContact O-CB 3.2Å; D131-L135 PolarHBondContact O-N 3.45Å
132A96.9Very high96.5Very high58 Ų5862.8 Ų62.848%0.47937%0.365SS..Hα-helixtrans-65.7-41173.100000112.7S128 A130 L135 D136S128-A132 WeakPolarHBondContact O-CB 3.1Å; S128-A132 PolarHBondContact O-N 3.41Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 2.75Å; A132-L135 PolarHBondContact O-N 3.28Å; A132-D136 PolarHBondContact O-N 3.32Å
133A97.3Very high96.6Very high62 Ų6259.4 Ų59.451%0.51235%0.349SS..Hα-helixtrans-65.7-40.3175.500000111.7K129 A130 D136 E137K129-A133 PolarHBondContact O-N 2.86Å; K129-A133 VanDerWaalsContact O-N 3.11Å; A130-A133 PolarHBondContact O-N 3.41Å; A133-D136 PolarHBondContact O-N 3.44Å; A133-E137 PolarHBondContact O-N 3.31Å
134L96.8Very high96.7Very high24 Ų2458.6 Ų58.613%0.12635%0.347CS..Hα-helixtrans-61.1-45.2173.8174.966000111.5Y120 R123 A130 D131 D136 E137 M138Y120-L134 HydrophobicContact CD2-CD2 4.24Å; Y120-L134 HydrophobicContact CD2-CG 4.34Å; Y120-L134 HydrophobicContact CE2-CD2 4.09Å; Y120-L134 HydrophobicContact CE2-CG 4.14Å; R123-L134 HydrophobicContact CB-CD2 3.71Å; R123-L134 WeakPolarHBondContact O-CD2 2.98Å; A130-L134 WeakPolarHBondContact O-CB 3.38Å; A130-L134 PolarHBondContact O-N 3.38Å; D131-L134 PolarHBondContact O-N 3.01Å; L134-D136 PolarHBondContact O-N 3.3Å; L134-E137 PolarHBondContact O-N 2.58Å; L134-M138 HydrophobicContact CD1-CG 4.13Å; L134-M138 HydrophobicContact CD1-SD 3.87Å; L134-M138 HydrophobicContact CG-CG 4.5Å; L134-M138 HydrophobicContact CG-SD 4.02Å; L134-M138 WeakPolarHBondContact O-CB 3.45Å; L134-M138 VanDerWaalsContact O-CG 3.29Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 2.97Å
135L97.7Very high96.8Very high19 Ų1959 Ų5910%0.09935%0.35CS..Hα-helixtrans-60.9-45178.6-178.959.3000111.4R111 W114 L115 Y120 D131 A132 M138 I139R111-L135 HydrophobicContact CG-CD2 4.32Å; W114-L135 HydrophobicContact CB-CD1 3.74Å; L115-L135 HydrophobicContact CD2-CD1 4.38Å; L115-L135 HydrophobicContact CD2-CD2 3.91Å; L115-L135 HydrophobicContact CG-CD1 4.46Å; L115-L135 HydrophobicContact CG-CD2 4.4Å; Y120-L135 HydrophobicContact CD2-CD1 4.39Å; Y120-L135 HydrophobicContact CE1-CD1 4.43Å; Y120-L135 HydrophobicContact CE2-CB 3.8Å; Y120-L135 HydrophobicContact CE2-CD1 3.95Å; Y120-L135 HydrophobicContact CE2-CG 4.43Å; D131-L135 WeakPolarHBondContact O-CB 3.2Å; D131-L135 PolarHBondContact O-N 3.45Å; A132-L135 PolarHBondContact O-N 3.28Å; L135-M138 PolarHBondContact O-N 3.49Å; L135-I139 HydrophobicContact CD1-CD1 4.19Å; L135-I139 HydrophobicContact CD1-CG1 4.31Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 HydrophobicContact CG-CG1 4.49Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 3.36Å
136D97.5Very high96.8Very high84 Ų8457.9 Ų57.945%0.44935%0.345SS..Hα-helixtrans-60.3-46177-174.771.6000111.9A132 A133 L134 M138 I139 N140A132-D136 PolarHBondContact O-N 3.32Å; A133-D136 PolarHBondContact O-N 3.44Å; L134-D136 PolarHBondContact O-N 3.3Å; D136-M138 VanDerWaalsContact C-N 3.33Å; D136-M138 PolarHBondContact O-N 2.97Å; D136-I139 PolarHBondContact O-N 2.91Å; D136-N140 PolarHBondContact O-N 3.16Å; D136-N140 VanDerWaalsContact O-N 3.16Å; D136-N140 PolarHBondContact O-ND2 3.37Å; D136-N140 PolarHBondContact OD2-ND2 3.33Å
137E96.4Very high96.7Very high78 Ų7855.6 Ų55.636%0.36432%0.321SS..Hα-helixtrans-56.8-47.2174.2-170.1-160.5126.700111.3R48 A133 L134 I139 N140 N141R48-E137 IonicContact CZ-OE1 3.63Å; R48-E137 IonicContact NH1-OE1 3.95Å; R48-E137 PolarHBondContact NH1-OE1 3.07Å; R48-E137 IonicContact NH1-OE2 3.99Å; R48-E137 IonicContact NH2-OE1 3.19Å; A133-E137 PolarHBondContact O-N 3.31Å; L134-E137 PolarHBondContact O-N 2.58Å; E137-I139 PolarHBondContact O-N 3.33Å; E137-N140 CarbonylContact O-C 3.42Å; E137-N140 WeakPolarHBondContact O-CB 3.28Å; E137-N140 PolarHBondContact O-N 3.33Å; E137-N140 VanDerWaalsContact O-N 3.14Å; E137-N141 PolarHBondContact O-N 3.29Å
138M97.5Very high96.5Very high1 Ų154 Ų541%0.00531%0.313CS..Hα-helixtrans-68.2-37.2-177.9-71.8-173.369.100112.7W114 Y119 Y120 L134 L135 D136 N140 N141W114-M138 HydrophobicContact CD2-CB 4.09Å; W114-M138 HydrophobicContact CD2-CE 3.79Å; W114-M138 HydrophobicContact CE3-CE 3.33Å; W114-M138 HydrophobicContact CG-CB 4.11Å; W114-M138 HydrophobicContact CH2-CE 3.79Å; W114-M138 HydrophobicContact CZ2-CB 4.44Å; W114-M138 HydrophobicContact CZ2-CE 4.21Å; W114-M138 HydrophobicContact CZ3-CE 3.34Å; W114-M138 PolarHBondContact NE1-O 3.25Å; Y119-M138 HydrophobicContact CD1-CE 3.45Å; Y119-M138 VanDerWaalsContact CD1-CE 3.45Å; Y119-M138 HydrophobicContact CE1-CE 3.67Å; Y120-M138 HydrophobicContact CD2-CE 4.44Å; Y120-M138 HydrophobicContact CD2-SD 3.61Å; Y120-M138 HydrophobicContact CG-SD 4.38Å; L134-M138 HydrophobicContact CD1-CG 4.13Å; L134-M138 HydrophobicContact CD1-SD 3.87Å; L134-M138 HydrophobicContact CG-CG 4.5Å; L134-M138 HydrophobicContact CG-SD 4.02Å; L134-M138 WeakPolarHBondContact O-CB 3.45Å; L134-M138 VanDerWaalsContact O-CG 3.29Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 2.97Å; L135-M138 PolarHBondContact O-N 3.49Å; D136-M138 VanDerWaalsContact C-N 3.33Å; D136-M138 PolarHBondContact O-N 2.97Å; M138-N140 PolarHBondContact O-N 3.34Å; M138-N141 WeakPolarHBondContact O-CB 3.22Å; M138-N141 PolarHBondContact O-N 3.13Å
139I98Very high95.5Very high1 Ų155.1 Ų55.11%0.00531%0.305CS..Hα-helixtrans-57.5-41171.9-69.4163.6000110.4W107 R110 R111 L135 D136 E137 N141 I142W107-I139 HydrophobicContact CG-CG2 4.28Å; W107-I139 HydrophobicContact CH2-CD1 4.18Å; W107-I139 HydrophobicContact CZ2-CD1 3.62Å; R110-I139 HydrophobicContact CB-CG2 3.97Å; R111-I139 HydrophobicContact CB-CD1 3.66Å; R111-I139 HydrophobicContact CB-CG1 4.17Å; R111-I139 HydrophobicContact CG-CD1 4.02Å; L135-I139 HydrophobicContact CD1-CD1 4.19Å; L135-I139 HydrophobicContact CD1-CG1 4.31Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 HydrophobicContact CG-CG1 4.49Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 3.36Å; D136-I139 PolarHBondContact O-N 2.91Å; E137-I139 PolarHBondContact O-N 3.33Å; I139-N141 VanDerWaalsContact C-N 3.31Å; I139-N141 PolarHBondContact O-N 2.9Å; I139-I142 PolarHBondContact O-N 3.26Å
140N97Very high95Very high80 Ų8053 Ų5343%0.42831%0.306SS..Hα-helixtrans-74.3-17.2177.1-68.5-46.1000114D136 E137 M138 I142 Q143D136-N140 PolarHBondContact O-N 3.16Å; D136-N140 VanDerWaalsContact O-N 3.16Å; D136-N140 PolarHBondContact O-ND2 3.37Å; D136-N140 PolarHBondContact OD2-ND2 3.33Å; E137-N140 CarbonylContact O-C 3.42Å; E137-N140 WeakPolarHBondContact O-CB 3.28Å; E137-N140 PolarHBondContact O-N 3.33Å; E137-N140 VanDerWaalsContact O-N 3.14Å; M138-N140 PolarHBondContact O-N 3.34Å; N140-I142 PolarHBondContact O-N 2.73Å; N140-Q143 WeakPolarHBondContact O-CG 3.21Å; N140-Q143 PolarHBondContact O-NE2 3.45Å
141N97.6Very high94.5Very high24 Ų2460.1 Ų60.113%0.12832%0.324CS..THydrogen-bonded Turntrans-71.7-11.2170.9-71.8-24.1000113E137 M138 I139 L159 I160E137-N141 PolarHBondContact O-N 3.29Å; M138-N141 WeakPolarHBondContact O-CB 3.22Å; M138-N141 PolarHBondContact O-N 3.13Å; I139-N141 VanDerWaalsContact C-N 3.31Å; I139-N141 PolarHBondContact O-N 2.9Å; N141-L159 CarbonylContact O-C 3.55Å; N141-L159 VanDerWaalsContact O-CA 3.31Å; N141-L159 WeakPolarHBondContact O-CA 2.96Å; N141-I160 HydrophobicContact CB-CB 4.11Å; N141-I160 PolarHBondContact O-N 2.86Å
142I98.4Very high93.9Very high0 Ų063.8 Ų63.80%036%0.356CS..EExtended strand (participates in β ladder)trans-103.6112.9168.7-53.1-177.9000108.8R110 F113 W114 I139 N140 V157 K158 L159 Y174R110-I142 HydrophobicContact CB-CD1 4.46Å; R110-I142 WeakPolarHBondContact CD-O 3.49Å; R110-I142 HydrophobicContact CG-CB 3.97Å; R110-I142 HydrophobicContact CG-CD1 4.17Å; R110-I142 HydrophobicContact CG-CG2 3.95Å; R110-I142 PolarHBondContact NH1-O 3.37Å; R110-I142 VanDerWaalsContact NH1-O 3.13Å; F113-I142 HydrophobicContact CD1-CD1 3.79Å; F113-I142 HydrophobicContact CE1-CD1 4.15Å; W114-I142 HydrophobicContact CZ2-CD1 3.72Å; W114-I142 HydrophobicContact CZ2-CG1 3.7Å; I139-I142 PolarHBondContact O-N 3.26Å; N140-I142 PolarHBondContact O-N 2.73Å; I142-V157 HydrophobicContact CG2-CG2 3.95Å; I142-K158 WeakPolarHBondContact CA-O 3.26Å; I142-L159 HydrophobicContact CD1-CD1 4.05Å; I142-L159 HydrophobicContact CG1-CD1 3.86Å; I142-L159 HydrophobicContact CG1-CG 4.19Å; I142-Y174 HydrophobicContact CD1-CD1 4.22Å; I142-Y174 HydrophobicContact CD1-CD2 3.72Å; I142-Y174 HydrophobicContact CD1-CE1 4.44Å; I142-Y174 HydrophobicContact CD1-CE2 3.98Å; I142-Y174 HydrophobicContact CD1-CG 3.86Å; I142-Y174 HydrophobicContact CG2-CD1 3.74Å; I142-Y174 HydrophobicContact CG2-CE1 3.41Å; I142-Y174 VanDerWaalsContact CG2-CE1 3.41Å; I142-Y174 HydrophobicContact CG2-CG 4.42Å
143Q97.7Very high93.7Very high81 Ų8164.3 Ų64.338%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-117.3110.6-173.2-62.4173.810.400109.4N140 V157 K158N140-Q143 WeakPolarHBondContact O-CG 3.21Å; N140-Q143 PolarHBondContact O-NE2 3.45Å; Q143-V157 CarbonylContact O-C 3.54Å; Q143-V157 WeakPolarHBondContact O-CA 3.28Å; Q143-K158 HydrophobicContact CB-CB 4.39Å; Q143-K158 PolarHBondContact N-O 3.28Å; Q143-K158 PolarHBondContact O-N 3.15Å
144F97.8Very high93.5Very high43 Ų4363.7 Ų63.719%0.18934%0.341CS..EExtended strand (participates in β ladder)trans-88.5133.1170.6176.3-102.5000109.8V101 L104 A105 P146 D155V101-F144 HydrophobicContact CG1-CE1 4.24Å; V101-F144 HydrophobicContact CG1-CE2 4.2Å; V101-F144 HydrophobicContact CG1-CZ 3.57Å; L104-F144 HydrophobicContact CD2-CD2 3.84Å; L104-F144 HydrophobicContact CD2-CE2 3.93Å; L104-F144 HydrophobicContact CG-CD2 4.16Å; A105-F144 HydrophobicContact CB-CB 4.34Å; A105-F144 HydrophobicContact CB-CD1 3.46Å; A105-F144 VanDerWaalsContact CB-CD1 3.46Å; A105-F144 HydrophobicContact CB-CE1 3.82Å; A105-F144 HydrophobicContact CB-CG 3.85Å; A105-F144 HydrophobicContact CB-CZ 4.5Å; F144-P146 HydrophobicContact CE1-CB 3.8Å; F144-P146 HydrophobicContact CE1-CG 4.45Å; F144-P146 HydrophobicContact CZ-CB 4.28Å; F144-D155 HydrophobicContact CE2-CB 3.97Å; F144-D155 HydrophobicContact CZ-CB 4.14Å; F144-D155 WeakPolarHBondContact CZ-OD1 3.2Å
145I96.2Very high93.5Very high89 Ų8963.2 Ų63.246%0.45634%0.338SS..EExtended strand (participates in β ladder)trans-119.8110.1175.3-56.5170.5000106.4S156I145-S156 PolarHBondContact N-O 2.83Å; I145-S156 PolarHBondContact O-N 3.42Å
146P95.3Very high93.5Very high86 Ų8663.1 Ų63.156%0.55834%0.34SS*.  trans-62.3144.3179.125.5-32.8000110.7F144 D155F144-P146 HydrophobicContact CE1-CB 3.8Å; F144-P146 HydrophobicContact CE1-CG 4.45Å; F144-P146 HydrophobicContact CZ-CB 4.28Å; P146-D155 WeakPolarHBondContact CA-OD1 3.14Å
147G92.5Very high93.6Very high20 Ų2059.1 Ų59.121%0.20632%0.318CS..  trans-65.7156.7171.800000111.8V153 D155G147-V153 CarbonylContact C-O 3.54Å; G147-V153 WeakPolarHBondContact CA-O 3.16Å; G147-D155 PolarHBondContact N-OD1 3.47Å
148D90.9Very high93.6Very high52 Ų5257.9 Ų57.928%0.27831%0.311SS..BIsolated β-bridgetrans-127.998.9170.1-177.7-4.9000108.2T150 R151 A152 V153D148-T150 VanDerWaalsContact CG-OG1 3.29Å; D148-T150 PolarHBondContact O-N 2.72Å; D148-T150 WeakPolarHBondContact OD1-CB 3.43Å; D148-T150 PolarHBondContact OD1-N 3.42Å; D148-T150 PolarHBondContact OD1-OG1 2.89Å; D148-T150 PolarHBondContact OD2-OG1 3.5Å; D148-R151 HydrophobicContact CB-CB 4.28Å; D148-R151 CarbonylContact O-C 3.58Å; D148-R151 PolarHBondContact O-N 3.45Å; D148-R151 WeakPolarHBondContact OD2-CD 3.31Å; D148-R151 VanDerWaalsContact OD2-CG 3.28Å; D148-R151 WeakPolarHBondContact OD2-CG 3.28Å; D148-R151 IonicContact OD2-NE 3.59Å; D148-R151 PolarHBondContact OD2-NE 3.2Å; D148-A152 PolarHBondContact O-N 2.93Å; D148-A152 VanDerWaalsContact O-N 3.15Å; D148-V153 CarbonylContact C-O 3.52Å; D148-V153 HydrophobicContact CB-CB 4.45Å; D148-V153 PolarHBondContact N-O 2.88Å; D148-V153 PolarHBondContact O-N 3.38Å
149F75.2Confident93.7Very high129 Ų12957.8 Ų57.857%0.56631%0.311SS*.G310 helixtrans-61.6-26.3-180-63.7-70.9000112.5R151 A152F149-R151 PolarHBondContact O-N 3Å; F149-A152 PolarHBondContact O-N 3.37Å
150T84Confident93.7Very high126 Ų12658.6 Ų58.677%0.77332%0.315SS*.G310 helixtrans-68.6-22.8176.173.20000112.1D148D148-T150 VanDerWaalsContact CG-OG1 3.29Å; D148-T150 PolarHBondContact O-N 2.72Å; D148-T150 WeakPolarHBondContact OD1-CB 3.43Å; D148-T150 PolarHBondContact OD1-N 3.42Å; D148-T150 PolarHBondContact OD1-OG1 2.89Å; D148-T150 PolarHBondContact OD2-OG1 3.5Å
151R86.7Confident93.7Very high193 Ų19355 Ų5573%0.72830%0.297SS*.G310 helixtrans-108.29178.4-62.5-178.4-173.8-167.7-1.6113.1D148 F149 V153D148-R151 HydrophobicContact CB-CB 4.28Å; D148-R151 CarbonylContact O-C 3.58Å; D148-R151 PolarHBondContact O-N 3.45Å; D148-R151 WeakPolarHBondContact OD2-CD 3.31Å; D148-R151 VanDerWaalsContact OD2-CG 3.28Å; D148-R151 WeakPolarHBondContact OD2-CG 3.28Å; D148-R151 IonicContact OD2-NE 3.59Å; D148-R151 PolarHBondContact OD2-NE 3.2Å; F149-R151 PolarHBondContact O-N 3Å; R151-V153 HydrophobicContact CB-CG2 3.9Å; R151-V153 PolarHBondContact O-N 3.16Å
152A85.2Confident93.6Very high89 Ų8956.3 Ų56.374%0.73630%0.302SS*.THydrogen-bonded Turntrans52.238.3-173.100000113D148 F149D148-A152 PolarHBondContact O-N 2.93Å; D148-A152 VanDerWaalsContact O-N 3.15Å; F149-A152 PolarHBondContact O-N 3.37Å
153V91Very high93.4Very high69 Ų6958.9 Ų58.942%0.41832%0.318SS..BIsolated β-bridgetrans-103.5123.5176.5-179.70000109G147 D148 R151G147-V153 CarbonylContact C-O 3.54Å; G147-V153 WeakPolarHBondContact CA-O 3.16Å; D148-V153 CarbonylContact C-O 3.52Å; D148-V153 HydrophobicContact CB-CB 4.45Å; D148-V153 PolarHBondContact N-O 2.88Å; D148-V153 PolarHBondContact O-N 3.38Å; R151-V153 HydrophobicContact CB-CG2 3.9Å; R151-V153 PolarHBondContact O-N 3.16Å
154N94.5Very high93.4Very high50 Ų5055.6 Ų55.627%0.26731%0.305SS..PPolyproline II helixtrans-82.9159.1175.7-69.786000112.2I56 S156 L304I56-N154 HydrophobicContact CG2-CB 3.47Å; I56-N154 VanDerWaalsContact CG2-CB 3.47Å; N154-S156 PolarHBondContact O-N 3.36Å; N154-L304 HydrophobicContact CB-CD1 4.16Å; N154-L304 VanDerWaalsContact CG-CD1 3.46Å; N154-L304 VanDerWaalsContact ND2-CD1 3.28Å; N154-L304 WeakPolarHBondContact ND2-CD1 3.48Å
155D97.4Very high93.3Very high13 Ų1356.2 Ų56.27%0.0731%0.313CS..PPolyproline II helixtrans-60.1134.8173-61.7-70.9000111.2T57 Y97 F144 P146 G147T57-D155 PolarHBondContact N-O 3.45Å; Y97-D155 WeakPolarHBondContact CE1-OD2 3.17Å; Y97-D155 WeakPolarHBondContact OH-CB 3.34Å; Y97-D155 PolarHBondContact OH-OD2 3.07Å; F144-D155 HydrophobicContact CE2-CB 3.97Å; F144-D155 HydrophobicContact CZ-CB 4.14Å; F144-D155 WeakPolarHBondContact CZ-OD1 3.2Å; P146-D155 WeakPolarHBondContact CA-OD1 3.14Å; G147-D155 PolarHBondContact N-OD1 3.47Å
156S97.4Very high93.4Very high18 Ų1854.2 Ų54.213%0.12630%0.303CS..EExtended strand (participates in β ladder)trans-134.9151.3-179.5670000112.3A55 I145 N154A55-S156 VanDerWaalsContact O-CA 3.24Å; A55-S156 WeakPolarHBondContact O-CA 3.39Å; A55-S156 WeakPolarHBondContact O-CB 3.04Å; I145-S156 PolarHBondContact N-O 2.83Å; I145-S156 PolarHBondContact O-N 3.42Å; N154-S156 PolarHBondContact O-N 3.36Å
157V98.2Very high93.5Very high0 Ų050.1 Ų50.10%028%0.277CS..EExtended strand (participates in β ladder)trans-132135175.8550000109.5T54 A55 L104 I142 Q143 L171 Y174 V175T54-V157 CarbonylContact C-O 3.55Å; T54-V157 WeakPolarHBondContact CA-O 3.44Å; A55-V157 HydrophobicContact CB-CG1 3.78Å; A55-V157 PolarHBondContact N-O 3.29Å; A55-V157 PolarHBondContact O-N 2.93Å; L104-V157 HydrophobicContact CD1-CG1 4.29Å; L104-V157 HydrophobicContact CD2-CB 4.21Å; L104-V157 HydrophobicContact CD2-CG1 4.08Å; L104-V157 HydrophobicContact CG-CB 4.48Å; I142-V157 HydrophobicContact CG2-CG2 3.95Å; Q143-V157 CarbonylContact O-C 3.54Å; Q143-V157 WeakPolarHBondContact O-CA 3.28Å; V157-L171 HydrophobicContact CG1-CD1 3.9Å; V157-L171 HydrophobicContact CG2-CD1 4.01Å; V157-Y174 HydrophobicContact CG2-CD1 4.31Å; V157-Y174 HydrophobicContact CG2-CE1 4.18Å; V157-V175 HydrophobicContact CG1-CG2 3.91Å
158K98.1Very high93.8Very high51 Ų5149.8 Ų49.822%0.22227%0.27CS..EExtended strand (participates in β ladder)trans-115.7136.4176.4-176.9-175.1-178.3-174.90108.8S52 S53 I142 Q143 D314S52-K158 WeakPolarHBondContact OG-CE 3.16Å; S52-K158 PolarHBondContact OG-NZ 2.9Å; S53-K158 WeakPolarHBondContact O-CA 3.46Å; I142-K158 WeakPolarHBondContact CA-O 3.26Å; Q143-K158 HydrophobicContact CB-CB 4.39Å; Q143-K158 PolarHBondContact N-O 3.28Å; Q143-K158 PolarHBondContact O-N 3.15Å; K158-D314 IonicContact NZ-OD2 2.9Å; K158-D314 PolarHBondContact NZ-OD2 3.42Å
159L98.4Very high94.1Very high0 Ų050.7 Ų50.70%028%0.275CS..EExtended strand (participates in β ladder)trans-121.5135.2171.2-175149.5000109.8S52 S53 W114 N141 I142 A161 L170 L171S52-L159 WeakPolarHBondContact CA-O 3.39Å; S52-L159 WeakPolarHBondContact CB-O 3.44Å; S53-L159 PolarHBondContact N-O 3.22Å; S53-L159 PolarHBondContact O-N 3.49Å; W114-L159 HydrophobicContact CH2-CD1 4.11Å; W114-L159 HydrophobicContact CZ2-CD1 4.16Å; N141-L159 CarbonylContact O-C 3.55Å; N141-L159 VanDerWaalsContact O-CA 3.31Å; N141-L159 WeakPolarHBondContact O-CA 2.96Å; I142-L159 HydrophobicContact CD1-CD1 4.05Å; I142-L159 HydrophobicContact CG1-CD1 3.86Å; I142-L159 HydrophobicContact CG1-CG 4.19Å; L159-A161 HydrophobicContact CD2-CB 4.11Å; L159-L170 HydrophobicContact CD1-CB 3.72Å; L159-L170 HydrophobicContact CD2-CB 3.72Å; L159-L170 HydrophobicContact CD2-CD1 4.21Å; L159-L170 HydrophobicContact CG-CB 4.42Å; L159-L171 HydrophobicContact CB-CB 3.95Å; L159-L171 HydrophobicContact CB-CD1 3.92Å; L159-L171 HydrophobicContact CB-CG 4.38Å
160I97.9Very high95.2Very high17 Ų1744.9 Ų44.99%0.08725%0.249CC..EExtended strand (participates in β ladder)trans-107.5131.5178-54.7173.1000109.6E50 W51 N141E50-I160 HydrophobicContact CB-CG2 3.79Å; E50-I160 HydrophobicContact CG-CG2 4.05Å; W51-I160 CarbonylContact O-C 3.46Å; W51-I160 WeakPolarHBondContact O-CA 3.38Å; N141-I160 HydrophobicContact CB-CB 4.11Å; N141-I160 PolarHBondContact O-N 2.86Å
161A97.3Very high95.9Very high5 Ų538.9 Ų38.94%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-142.3176176.300000111.2W51 L159 D166 A167 L170W51-A161 PolarHBondContact N-O 2.98Å; W51-A161 PolarHBondContact O-N 3.44Å; L159-A161 HydrophobicContact CD2-CB 4.11Å; A161-D166 HydrophobicContact CB-CB 3.81Å; A161-A167 HydrophobicContact CB-CB 3.96Å; A161-L170 HydrophobicContact CB-CD1 4.04Å
162E94.7Very high96.5Very high52 Ų5234.4 Ų34.424%0.24320%0.196CC..SBendtrans-80.2-18.6-174.7-71.4167.8-158.100114R48 Q49 W51 Y119 R123R48-E162 HydrophobicContact CG-CG 4.11Å; R48-E162 IonicContact CZ-OE1 3.98Å; R48-E162 IonicContact NE-OE1 3.71Å; R48-E162 PolarHBondContact NE-OE1 2.98Å; R48-E162 IonicContact NH2-OE1 2.65Å; R48-E162 PolarHBondContact NH2-OE1 2.98Å; Q49-E162 WeakPolarHBondContact O-CA 3.3Å; W51-E162 PolarHBondContact NE1-O 3.23Å; Y119-E162 WeakPolarHBondContact OH-CB 3.42Å; Y119-E162 WeakPolarHBondContact OH-CG 3.49Å; Y119-E162 PolarHBondContact OH-N 2.96Å; R123-E162 IonicContact CZ-OE1 3.25Å; R123-E162 IonicContact CZ-OE2 3.72Å; R123-E162 IonicContact NE-OE1 3.66Å; R123-E162 PolarHBondContact NE-OE1 3.43Å; R123-E162 IonicContact NE-OE2 3.6Å; R123-E162 PolarHBondContact NE-OE2 3.26Å; R123-E162 VanDerWaalsContact NH2-CD 3.28Å; R123-E162 IonicContact NH2-OE1 3.38Å; R123-E162 IonicContact NH2-OE2 3.88Å; R123-E162 PolarHBondContact NH2-OE2 3.02Å
163T95.6Very high97.1Very high54 Ų5434.9 Ų34.933%0.33118%0.183SC..SBendtrans-135.1156.4-179.578.70000110.9D166 A167T163-D166 PolarHBondContact O-N 2.9Å; T163-D166 VanDerWaalsContact OG1-CB 3.3Å; T163-D166 WeakPolarHBondContact OG1-CB 3.18Å; T163-D166 PolarHBondContact OG1-N 3.25Å; T163-D166 PolarHBondContact OG1-OD2 2.89Å; T163-A167 WeakPolarHBondContact O-CB 3.49Å; T163-A167 PolarHBondContact O-N 2.86Å
164A96Very high97.4Very high12 Ų1231.6 Ų31.610%0.09916%0.163CC..Hα-helixtrans-60.8-46.1176.400000113.1W51 D166 A167 N168 P310W51-A164 HydrophobicContact CD2-CB 3.98Å; W51-A164 HydrophobicContact CE3-CB 3.61Å; W51-A164 HydrophobicContact CG-CB 4.49Å; W51-A164 HydrophobicContact CZ3-CB 3.93Å; A164-D166 PolarHBondContact O-N 3.43Å; A164-A167 PolarHBondContact O-N 2.82Å; A164-N168 PolarHBondContact O-N 2.88Å; A164-P310 HydrophobicContact CB-CG 3.78Å; A164-P310 WeakPolarHBondContact CB-O 3.33Å; A164-P310 WeakPolarHBondContact O-CD 3.33Å
165P97.4Very high97.6Very high56 Ų5629.2 Ų29.236%0.36415%0.15SC..Hα-helixtrans-62.1-41.9177.2-24.636.2000112.6A167 N168 N169P165-A167 PolarHBondContact O-N 3.24Å; P165-N168 PolarHBondContact O-N 2.81Å; P165-N169 VanDerWaalsContact O-CB 3.32Å; P165-N169 WeakPolarHBondContact O-CB 3.43Å; P165-N169 VanDerWaalsContact O-CG 3.28Å; P165-N169 PolarHBondContact O-N 3.35Å; P165-N169 PolarHBondContact O-ND2 3.16Å
166D97.5Very high97.6Very high47 Ų4730.9 Ų30.925%0.25117%0.166SC..Hα-helixtrans-62.7-45.2178.9-67.3-36.7000111.1Y119 A161 T163 A164 N168 N169 L170Y119-D166 HydrophobicContact CD2-CB 4.3Å; Y119-D166 HydrophobicContact CE2-CB 3.77Å; Y119-D166 WeakPolarHBondContact CE2-OD2 3.37Å; A161-D166 HydrophobicContact CB-CB 3.81Å; T163-D166 PolarHBondContact O-N 2.9Å; T163-D166 VanDerWaalsContact OG1-CB 3.3Å; T163-D166 WeakPolarHBondContact OG1-CB 3.18Å; T163-D166 PolarHBondContact OG1-N 3.25Å; T163-D166 PolarHBondContact OG1-OD2 2.89Å; A164-D166 PolarHBondContact O-N 3.43Å; D166-N168 VanDerWaalsContact C-N 3.29Å; D166-N168 PolarHBondContact O-N 3.48Å; D166-N169 PolarHBondContact O-N 3.03Å; D166-L170 HydrophobicContact CB-CD1 4.04Å; D166-L170 WeakPolarHBondContact O-CB 3.36Å; D166-L170 WeakPolarHBondContact O-CD1 3.46Å; D166-L170 WeakPolarHBondContact O-CG 3.49Å; D166-L170 PolarHBondContact O-N 3.45Å
167A97.9Very high97.6Very high0 Ų031.8 Ų31.80%017%0.168CC..Hα-helixtrans-58.6-41.5-179.200000112.2W51 S53 A161 T163 A164 P165 L171 P310W51-A167 HydrophobicContact CB-CB 4.24Å; W51-A167 WeakPolarHBondContact O-CB 3.43Å; S53-A167 WeakPolarHBondContact CB-O 3.35Å; A161-A167 HydrophobicContact CB-CB 3.96Å; T163-A167 WeakPolarHBondContact O-CB 3.49Å; T163-A167 PolarHBondContact O-N 2.86Å; A164-A167 PolarHBondContact O-N 2.82Å; P165-A167 PolarHBondContact O-N 3.24Å; A167-L171 VanDerWaalsContact O-CB 3.26Å; A167-L171 WeakPolarHBondContact O-CB 3.41Å; A167-L171 PolarHBondContact O-N 3.02Å; A167-P310 HydrophobicContact CB-CG 4.43Å
168N97.8Very high97.6Very high12 Ų1231.8 Ų31.86%0.06417%0.168CC..Hα-helixtrans-71.1-50.8176.9176.236000112.1A164 P165 D166 L171 R172 P307 E309A164-N168 PolarHBondContact O-N 2.88Å; P165-N168 PolarHBondContact O-N 2.81Å; D166-N168 VanDerWaalsContact C-N 3.29Å; D166-N168 PolarHBondContact O-N 3.48Å; N168-L171 PolarHBondContact O-N 3.34Å; N168-R172 WeakPolarHBondContact O-CG 3.39Å; N168-R172 PolarHBondContact O-N 2.82Å; N168-R172 PolarHBondContact OD1-NE 2.87Å; N168-P307 VanDerWaalsContact OD1-C 3.25Å; N168-P307 WeakPolarHBondContact OD1-CB 3.35Å; N168-P307 PolarHBondContact OD1-O 3.17Å; N168-P307 VanDerWaalsContact OD1-O 3.14Å; N168-E309 HydrophobicContact CB-CG 3.8Å; N168-E309 WeakPolarHBondContact ND2-CG 3.46Å
169N98Very high97.6Very high72 Ų7229.7 Ų29.739%0.38516%0.159SC..Hα-helixtrans-65.2-44.9-175.2-72.4-27.1000111.9P165 D166 L171 R172 Q173P165-N169 VanDerWaalsContact O-CB 3.32Å; P165-N169 WeakPolarHBondContact O-CB 3.43Å; P165-N169 VanDerWaalsContact O-CG 3.28Å; P165-N169 PolarHBondContact O-N 3.35Å; P165-N169 PolarHBondContact O-ND2 3.16Å; D166-N169 PolarHBondContact O-N 3.03Å; N169-L171 VanDerWaalsContact C-N 3.31Å; N169-L171 PolarHBondContact O-N 3.15Å; N169-R172 PolarHBondContact O-N 3.01Å; N169-Q173 VanDerWaalsContact O-CG 3.27Å; N169-Q173 WeakPolarHBondContact O-CG 3.48Å; N169-Q173 PolarHBondContact O-N 2.91Å
170L98.4Very high97.6Very high6 Ų633.8 Ų33.83%0.03118%0.178CC..Hα-helixtrans-63.6-39176.9-67.7166.9000111.1F113 W114 T117 Y119 L159 A161 D166 Q173 Y174F113-L170 HydrophobicContact CZ-CD2 4.31Å; W114-L170 HydrophobicContact CH2-CD1 4.1Å; W114-L170 HydrophobicContact CZ3-CD1 4.18Å; W114-L170 HydrophobicContact CZ3-CD2 4.09Å; T117-L170 HydrophobicContact CG2-CD2 3.63Å; Y119-L170 HydrophobicContact CD1-CD1 3.78Å; Y119-L170 HydrophobicContact CD2-CD1 3.79Å; Y119-L170 HydrophobicContact CE1-CD1 4.01Å; Y119-L170 HydrophobicContact CE2-CD1 4Å; Y119-L170 HydrophobicContact CG-CD1 3.69Å; Y119-L170 HydrophobicContact CG-CD2 4.19Å; L159-L170 HydrophobicContact CD1-CB 3.72Å; L159-L170 HydrophobicContact CD2-CB 3.72Å; L159-L170 HydrophobicContact CD2-CD1 4.21Å; L159-L170 HydrophobicContact CG-CB 4.42Å; A161-L170 HydrophobicContact CB-CD1 4.04Å; D166-L170 HydrophobicContact CB-CD1 4.04Å; D166-L170 WeakPolarHBondContact O-CB 3.36Å; D166-L170 WeakPolarHBondContact O-CD1 3.46Å; D166-L170 WeakPolarHBondContact O-CG 3.49Å; D166-L170 PolarHBondContact O-N 3.45Å; L170-Q173 PolarHBondContact O-N 3.22Å; L170-Y174 WeakPolarHBondContact O-CB 3.45Å; L170-Y174 PolarHBondContact O-N 2.85Å
171L98.5Very high97.6Very high0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-64.2-44.1178.1-177.954.7000111.6S53 A55 V157 L159 A167 N168 N169 Q173 Y174 V175 P307S53-L171 WeakPolarHBondContact O-CD2 3.28Å; A55-L171 HydrophobicContact CB-CD2 4.17Å; A55-L171 HydrophobicContact CB-CG 4.5Å; V157-L171 HydrophobicContact CG1-CD1 3.9Å; V157-L171 HydrophobicContact CG2-CD1 4.01Å; L159-L171 HydrophobicContact CB-CB 3.95Å; L159-L171 HydrophobicContact CB-CD1 3.92Å; L159-L171 HydrophobicContact CB-CG 4.38Å; A167-L171 VanDerWaalsContact O-CB 3.26Å; A167-L171 WeakPolarHBondContact O-CB 3.41Å; A167-L171 PolarHBondContact O-N 3.02Å; N168-L171 PolarHBondContact O-N 3.34Å; N169-L171 VanDerWaalsContact C-N 3.31Å; N169-L171 PolarHBondContact O-N 3.15Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 3.19Å; L171-Y174 PolarHBondContact O-N 3Å; L171-V175 HydrophobicContact CD1-CG2 4.03Å; L171-V175 HydrophobicContact CG-CG2 4.47Å; L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 3.03Å; L171-P307 HydrophobicContact CB-CB 4.47Å; L171-P307 HydrophobicContact CB-CG 4.5Å; L171-P307 HydrophobicContact CD2-CB 4.02Å; L171-P307 HydrophobicContact CD2-CG 3.89Å; L171-P307 HydrophobicContact CG-CB 4.26Å; L171-P307 HydrophobicContact CG-CG 3.89Å
172R98.2Very high97.6Very high99 Ų9936.4 Ų36.437%0.37419%0.186SC..Hα-helixtrans-60.9-43.5176.2-70.9169.5172-96.28.4111.6N168 N169 A176 P307N168-R172 WeakPolarHBondContact O-CG 3.39Å; N168-R172 PolarHBondContact O-N 2.82Å; N168-R172 PolarHBondContact OD1-NE 2.87Å; N169-R172 PolarHBondContact O-N 3.01Å; R172-A176 WeakPolarHBondContact O-CB 3.47Å; R172-A176 PolarHBondContact O-N 3.43Å; R172-P307 HydrophobicContact CG-CB 3.75Å; R172-P307 HydrophobicContact CG-CG 3.83Å; R172-P307 VanDerWaalsContact CZ-O 3.27Å; R172-P307 PolarHBondContact NE-O 3.38Å; R172-P307 PolarHBondContact NH2-O 3.36Å
173Q98.1Very high97.8Very high100 Ų10033.9 Ų33.947%0.46717%0.174SC..Hα-helixtrans-63.9-42.9176.3-70.4172.338.500111.5F113 N169 L170 L171 A176 F177F113-Q173 HydrophobicContact CE2-CB 3.87Å; F113-Q173 HydrophobicContact CZ-CB 4.14Å; N169-Q173 VanDerWaalsContact O-CG 3.27Å; N169-Q173 WeakPolarHBondContact O-CG 3.48Å; N169-Q173 PolarHBondContact O-N 2.91Å; L170-Q173 PolarHBondContact O-N 3.22Å; L171-Q173 VanDerWaalsContact C-N 3.33Å; L171-Q173 PolarHBondContact O-N 3.19Å; Q173-A176 PolarHBondContact O-N 2.93Å; Q173-F177 VanDerWaalsContact O-CB 3.25Å; Q173-F177 WeakPolarHBondContact O-CB 3.49Å; Q173-F177 PolarHBondContact O-N 3.11Å
174Y98.5Very high97.9Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-63.9-47179177.5-111.9000112.3L104 T109 R110 F113 I142 V157 L170 L171 A176 F177 A178L104-Y174 HydrophobicContact CD1-CD1 4.04Å; L104-Y174 HydrophobicContact CD1-CE1 3.55Å; L104-Y174 HydrophobicContact CG-CE1 4.32Å; L104-Y174 PolarHBondContact O-OH 3.2Å; T109-Y174 HydrophobicContact CG2-CE2 4.02Å; R110-Y174 HydrophobicContact CG-CE2 3.87Å; R110-Y174 WeakPolarHBondContact CG-OH 3.07Å; F113-Y174 HydrophobicContact CB-CD2 3.81Å; F113-Y174 HydrophobicContact CB-CE2 4.14Å; F113-Y174 AromaticContact CD1-CD2 3.79Å; F113-Y174 HydrophobicContact CD1-CD2 3.79Å; F113-Y174 HydrophobicContact CD1-CG 4.42Å; F113-Y174 AromaticContact CD2-CD2 3.96Å; F113-Y174 HydrophobicContact CD2-CD2 3.96Å; F113-Y174 HydrophobicContact CE1-CD2 4.36Å; F113-Y174 AromaticContact CG-CD2 3.56Å; F113-Y174 HydrophobicContact CG-CD2 3.56Å; F113-Y174 HydrophobicContact CG-CE2 4.37Å; F113-Y174 HydrophobicContact CG-CG 4.45Å; I142-Y174 HydrophobicContact CD1-CD1 4.22Å; I142-Y174 HydrophobicContact CD1-CD2 3.72Å; I142-Y174 HydrophobicContact CD1-CE1 4.44Å; I142-Y174 HydrophobicContact CD1-CE2 3.98Å; I142-Y174 HydrophobicContact CD1-CG 3.86Å; I142-Y174 HydrophobicContact CG2-CD1 3.74Å; I142-Y174 HydrophobicContact CG2-CE1 3.41Å; I142-Y174 VanDerWaalsContact CG2-CE1 3.41Å; I142-Y174 HydrophobicContact CG2-CG 4.42Å; V157-Y174 HydrophobicContact CG2-CD1 4.31Å; V157-Y174 HydrophobicContact CG2-CE1 4.18Å; L170-Y174 WeakPolarHBondContact O-CB 3.45Å; L170-Y174 PolarHBondContact O-N 2.85Å; L171-Y174 PolarHBondContact O-N 3Å; Y174-A176 VanDerWaalsContact C-N 3.34Å; Y174-A176 PolarHBondContact O-N 2.96Å; Y174-F177 WeakPolarHBondContact O-CB 3.29Å; Y174-F177 PolarHBondContact O-N 3.48Å; Y174-A178 PolarHBondContact O-N 2.75Å
175V98.3Very high97.9Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-62.8-42.6177.7175.40000110.8A55 F100 L104 V157 L171 F177 A178 S179 Y301 Y303A55-V175 HydrophobicContact CB-CG2 4.39Å; F100-V175 HydrophobicContact CE2-CG1 4.11Å; F100-V175 HydrophobicContact CZ-CG1 3.95Å; L104-V175 HydrophobicContact CD1-CG2 4.19Å; V157-V175 HydrophobicContact CG1-CG2 3.91Å; L171-V175 HydrophobicContact CD1-CG2 4.03Å; L171-V175 HydrophobicContact CG-CG2 4.47Å; L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 3.03Å; V175-F177 VanDerWaalsContact C-N 3.34Å; V175-F177 PolarHBondContact O-N 3.36Å; V175-A178 PolarHBondContact O-N 3.47Å; V175-S179 WeakPolarHBondContact O-CB 3.5Å; V175-S179 PolarHBondContact O-N 3.45Å; V175-Y301 HydrophobicContact CG1-CD2 4.09Å; V175-Y301 HydrophobicContact CG1-CE1 3.96Å; V175-Y301 HydrophobicContact CG1-CE2 3.47Å; V175-Y301 VanDerWaalsContact CG1-CE2 3.47Å; V175-Y303 WeakPolarHBondContact CB-OH 3.15Å; V175-Y303 HydrophobicContact CG1-CE1 3.94Å; V175-Y303 VanDerWaalsContact CG1-OH 3.24Å; V175-Y303 WeakPolarHBondContact CG1-OH 3.47Å
176A97.4Very high97.9Very high48 Ų4834.3 Ų34.340%0.39717%0.172SC..Hα-helixtrans-63.2-40174.600000112.1R172 Q173 Y174 S179 Q180R172-A176 WeakPolarHBondContact O-CB 3.47Å; R172-A176 PolarHBondContact O-N 3.43Å; Q173-A176 PolarHBondContact O-N 2.93Å; Y174-A176 VanDerWaalsContact C-N 3.34Å; Y174-A176 PolarHBondContact O-N 2.96Å; A176-S179 PolarHBondContact O-N 3.33Å; A176-Q180 WeakPolarHBondContact O-CB 3.14Å; A176-Q180 PolarHBondContact O-N 3.19Å
177F97.9Very high97.9Very high37 Ų3732.5 Ų32.516%0.16216%0.162CC..Hα-helixtrans-63.6-46.1176.6179.1-112.3000112T109 E112 F113 Q173 Y174 V175 S179 Q180 R181T109-F177 HydrophobicContact CG2-CD1 4Å; T109-F177 HydrophobicContact CG2-CE1 3.98Å; E112-F177 HydrophobicContact CB-CE1 4.31Å; E112-F177 HydrophobicContact CB-CZ 4.22Å; F113-F177 HydrophobicContact CB-CD1 3.75Å; F113-F177 HydrophobicContact CB-CE1 3.87Å; F113-F177 HydrophobicContact CD2-CB 4.12Å; F113-F177 HydrophobicContact CD2-CD1 4.04Å; F113-F177 HydrophobicContact CD2-CG 4.19Å; F113-F177 HydrophobicContact CG-CD1 4.37Å; Q173-F177 VanDerWaalsContact O-CB 3.25Å; Q173-F177 WeakPolarHBondContact O-CB 3.49Å; Q173-F177 PolarHBondContact O-N 3.11Å; Y174-F177 WeakPolarHBondContact O-CB 3.29Å; Y174-F177 PolarHBondContact O-N 3.48Å; V175-F177 VanDerWaalsContact C-N 3.34Å; V175-F177 PolarHBondContact O-N 3.36Å; F177-S179 VanDerWaalsContact C-N 3.33Å; F177-S179 PolarHBondContact O-N 2.84Å; F177-Q180 PolarHBondContact O-N 3.24Å; F177-R181 HydrophobicContact CE1-CG 4.42Å; F177-R181 HydrophobicContact CE2-CG 4.27Å; F177-R181 HydrophobicContact CZ-CG 4.19Å; F177-R181 WeakPolarHBondContact O-CG 3.34Å; F177-R181 PolarHBondContact O-N 2.77Å
178A98.3Very high97.9Very high0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-60.4-42.6174.700000111.6F100 Q103 L104 T109 Y174 V175 Q180 R181 A182F100-A178 HydrophobicContact CD2-CB 4.49Å; F100-A178 HydrophobicContact CE2-CB 4.19Å; Q103-A178 HydrophobicContact CB-CB 4.28Å; L104-A178 HydrophobicContact CB-CB 4.28Å; L104-A178 HydrophobicContact CD1-CB 3.88Å; T109-A178 HydrophobicContact CG2-CB 4.34Å; Y174-A178 PolarHBondContact O-N 2.75Å; V175-A178 PolarHBondContact O-N 3.47Å; A178-Q180 PolarHBondContact O-N 3.43Å; A178-R181 PolarHBondContact O-N 3.25Å; A178-A182 WeakPolarHBondContact O-CB 3.24Å; A178-A182 PolarHBondContact O-N 2.92Å
179S98.1Very high97.9Very high7 Ų741.2 Ų41.25%0.04921%0.205CC..Hα-helixtrans-62.8-40.4174.9-176.80000113V175 A176 F177 A182 A183 T300 Y301V175-S179 WeakPolarHBondContact O-CB 3.5Å; V175-S179 PolarHBondContact O-N 3.45Å; A176-S179 PolarHBondContact O-N 3.33Å; F177-S179 VanDerWaalsContact C-N 3.33Å; F177-S179 PolarHBondContact O-N 2.84Å; S179-A182 PolarHBondContact O-N 3.04Å; S179-A183 WeakPolarHBondContact O-CB 3.39Å; S179-A183 PolarHBondContact O-N 2.76Å; S179-T300 WeakPolarHBondContact CA-OG1 3.31Å; S179-T300 PolarHBondContact OG-N 2.95Å; S179-T300 PolarHBondContact OG-OG1 2.78Å; S179-T300 VanDerWaalsContact OG-OG1 3.05Å; S179-Y301 VanDerWaalsContact CB-CE1 3.4Å; S179-Y301 WeakPolarHBondContact OG-CE1 3.48Å
180Q97.4Very high97.8Very high86 Ų8637.8 Ų37.840%0.40219%0.187SC..Hα-helixtrans-65.6-41.1178.5-177.359.250.400111.5A176 F177 A178 A183 S184 P296A176-Q180 WeakPolarHBondContact O-CB 3.14Å; A176-Q180 PolarHBondContact O-N 3.19Å; F177-Q180 PolarHBondContact O-N 3.24Å; A178-Q180 PolarHBondContact O-N 3.43Å; Q180-A183 PolarHBondContact O-N 2.96Å; Q180-S184 PolarHBondContact O-N 2.95Å; Q180-P296 PolarHBondContact NE2-O 3.09Å; Q180-P296 PolarHBondContact OE1-O 3.38Å
181R97.5Very high97.7Very high76 Ų7643.3 Ų43.329%0.28721%0.211SC..Hα-helixtrans-62.7-45.2174.4-71.717962.875.91.5111.4Q103 T109 E112 F177 A178 S184 H185Q103-R181 HydrophobicContact CG-CB 4.14Å; Q103-R181 VanDerWaalsContact OE1-NE 3.13Å; T109-R181 PolarHBondContact OG1-NE 2.86Å; E112-R181 IonicContact OE1-NH1 3.45Å; E112-R181 IonicContact OE2-CZ 3.5Å; E112-R181 IonicContact OE2-NE 2.72Å; E112-R181 IonicContact OE2-NH1 3.16Å; E112-R181 PolarHBondContact OE2-NH1 3.05Å; E112-R181 IonicContact OE2-NH2 2.75Å; F177-R181 HydrophobicContact CE1-CG 4.42Å; F177-R181 HydrophobicContact CE2-CG 4.27Å; F177-R181 HydrophobicContact CZ-CG 4.19Å; F177-R181 WeakPolarHBondContact O-CG 3.34Å; F177-R181 PolarHBondContact O-N 2.77Å; A178-R181 PolarHBondContact O-N 3.25Å; R181-S184 WeakPolarHBondContact O-CB 3.48Å; R181-S184 PolarHBondContact O-N 2.98Å; R181-H185 PolarHBondContact O-N 3.45Å
182A98.3Very high97.6Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-59.9-47.317600000111.5E99 F100 Q103 A178 S179 S184 H185 L186 T300E99-A182 HydrophobicContact CB-CB 4.4Å; E99-A182 HydrophobicContact CG-CB 3.76Å; F100-A182 HydrophobicContact CB-CB 4.3Å; Q103-A182 HydrophobicContact CG-CB 4.04Å; A178-A182 WeakPolarHBondContact O-CB 3.24Å; A178-A182 PolarHBondContact O-N 2.92Å; S179-A182 PolarHBondContact O-N 3.04Å; A182-S184 VanDerWaalsContact C-N 3.3Å; A182-S184 PolarHBondContact O-N 3.31Å; A182-H185 PolarHBondContact O-N 3.05Å; A182-L186 WeakPolarHBondContact O-CB 3.14Å; A182-L186 WeakPolarHBondContact O-CG 3.03Å; A182-L186 PolarHBondContact O-N 3.16Å; A182-T300 HydrophobicContact CB-CG2 4.01Å
183A98.1Very high97.5Very high0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-60.6-38.5176.800000112.4S179 Q180 N187 F298 T300S179-A183 WeakPolarHBondContact O-CB 3.39Å; S179-A183 PolarHBondContact O-N 2.76Å; Q180-A183 PolarHBondContact O-N 2.96Å; A183-N187 WeakPolarHBondContact O-CB 3.35Å; A183-N187 PolarHBondContact O-N 3.49Å; A183-N187 PolarHBondContact O-ND2 3.37Å; A183-F298 HydrophobicContact CB-CD1 4.33Å; A183-F298 HydrophobicContact CB-CD2 4.22Å; A183-F298 HydrophobicContact CB-CE1 3.96Å; A183-F298 HydrophobicContact CB-CE2 3.88Å; A183-F298 HydrophobicContact CB-CG 4.44Å; A183-F298 HydrophobicContact CB-CZ 3.73Å; A183-T300 HydrophobicContact CB-CG2 4.39Å
184S97.3Very high97.4Very high57 Ų5739.1 Ų39.140%0.39922%0.215SC..Hα-helixtrans-62.3-50.1173.7-1670000111.5Q180 R181 A182 L186 N187 D188Q180-S184 PolarHBondContact O-N 2.95Å; R181-S184 WeakPolarHBondContact O-CB 3.48Å; R181-S184 PolarHBondContact O-N 2.98Å; A182-S184 VanDerWaalsContact C-N 3.3Å; A182-S184 PolarHBondContact O-N 3.31Å; S184-L186 PolarHBondContact O-N 2.96Å; S184-N187 WeakPolarHBondContact O-CB 3.37Å; S184-N187 PolarHBondContact O-N 3.44Å; S184-D188 PolarHBondContact O-N 3.35Å
185H97.2Very high97.3Very high71 Ų7141.5 Ų41.533%0.32924%0.235SC..Hα-helixtrans-60.7-46.5-179.4-171.3-97.1000111.7E99 R181 A182 N187 D188 E189E99-H185 HydrophobicContact CG-CB 4.37Å; E99-H185 IonicContact OE1-CG 2.67Å; E99-H185 IonicContact OE1-ND1 3.16Å; E99-H185 IonicContact OE2-CE1 3.43Å; E99-H185 IonicContact OE2-ND1 2.82Å; E99-H185 PolarHBondContact OE2-ND1 2.91Å; R181-H185 PolarHBondContact O-N 3.45Å; A182-H185 PolarHBondContact O-N 3.05Å; H185-N187 VanDerWaalsContact C-N 3.3Å; H185-N187 PolarHBondContact O-N 3.49Å; H185-D188 WeakPolarHBondContact O-CB 3.43Å; H185-D188 PolarHBondContact O-N 3Å; H185-D188 VanDerWaalsContact O-N 3.11Å; H185-E189 IonicContact CE1-OE1 3.63Å; H185-E189 PolarHBondContact CE1-OE1 2.89Å; H185-E189 IonicContact ND1-OE1 2.73Å; H185-E189 PolarHBondContact O-N 2.96Å
186L97.9Very high97.2Very high3 Ų344.3 Ų44.32%0.01626%0.258CS..Hα-helixtrans-61.8-36.6177-67.9167.2000112.5Y68 A96 E99 A182 S184 L190 F298 T300Y68-L186 HydrophobicContact CD2-CB 4.48Å; Y68-L186 HydrophobicContact CE1-CD1 4.44Å; Y68-L186 HydrophobicContact CE2-CB 3.71Å; Y68-L186 WeakPolarHBondContact OH-CD2 3.27Å; A96-L186 HydrophobicContact CB-CD1 3.92Å; E99-L186 HydrophobicContact CB-CD1 4.3Å; E99-L186 HydrophobicContact CB-CD2 3.93Å; E99-L186 HydrophobicContact CB-CG 4.14Å; E99-L186 HydrophobicContact CG-CD1 4.39Å; E99-L186 HydrophobicContact CG-CD2 4.13Å; E99-L186 HydrophobicContact CG-CG 3.96Å; A182-L186 WeakPolarHBondContact O-CB 3.14Å; A182-L186 WeakPolarHBondContact O-CG 3.03Å; A182-L186 PolarHBondContact O-N 3.16Å; S184-L186 PolarHBondContact O-N 2.96Å; L186-L190 VanDerWaalsContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CB 3.24Å; L186-L190 PolarHBondContact O-N 3.38Å; L186-F298 HydrophobicContact CB-CZ 4.09Å; L186-F298 HydrophobicContact CD1-CE2 3.94Å; L186-F298 HydrophobicContact CD1-CZ 4.16Å; L186-T300 HydrophobicContact CD1-CG2 3.64Å
187N97.8Very high97Very high8 Ų842.9 Ų42.94%0.04324%0.242CC..Hα-helixtrans-68-37.5174-83.2-40.6000112.3A183 S184 H185 L190 K191 L294 D295A183-N187 WeakPolarHBondContact O-CB 3.35Å; A183-N187 PolarHBondContact O-N 3.49Å; A183-N187 PolarHBondContact O-ND2 3.37Å; S184-N187 WeakPolarHBondContact O-CB 3.37Å; S184-N187 PolarHBondContact O-N 3.44Å; H185-N187 VanDerWaalsContact C-N 3.3Å; H185-N187 PolarHBondContact O-N 3.49Å; N187-L190 PolarHBondContact O-N 3.23Å; N187-K191 VanDerWaalsContact O-CB 3.31Å; N187-K191 WeakPolarHBondContact O-CB 3.33Å; N187-K191 PolarHBondContact O-N 3Å; N187-L294 HydrophobicContact CB-CD1 4.48Å; N187-L294 HydrophobicContact CB-CD2 4.04Å; N187-D295 PolarHBondContact ND2-O 2.84Å
188D97.5Very high97Very high93 Ų9342.2 Ų42.250%0.49724%0.241SC..Hα-helixtrans-66.9-42.1176-71.2-32.1000111.2S184 H185 K191 G192S184-D188 PolarHBondContact O-N 3.35Å; H185-D188 WeakPolarHBondContact O-CB 3.43Å; H185-D188 PolarHBondContact O-N 3Å; H185-D188 VanDerWaalsContact O-N 3.11Å; D188-K191 PolarHBondContact O-N 3.24Å; D188-G192 PolarHBondContact O-N 3.14Å
189E96.2Very high96.9Very high102 Ų10248 Ų4848%0.47727%0.271SS..Hα-helixtrans-60.8-47.5171.5-72.4-169.116000111.7H185 K191 G192 A193H185-E189 IonicContact CE1-OE1 3.63Å; H185-E189 PolarHBondContact CE1-OE1 2.89Å; H185-E189 IonicContact ND1-OE1 2.73Å; H185-E189 PolarHBondContact O-N 2.96Å; E189-K191 VanDerWaalsContact C-N 3.3Å; E189-K191 PolarHBondContact O-N 3.49Å; E189-G192 PolarHBondContact O-N 3.47Å; E189-G192 VanDerWaalsContact O-N 3.16Å; E189-A193 WeakPolarHBondContact O-CB 3.33Å; E189-A193 PolarHBondContact O-N 3.23Å
190L96.4Very high96.7Very high0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-57.1-45.6176.8174.862.6000110.9Y68 Q71 L75 L186 N187 G192 A193 W194 P292 L294Y68-L190 HydrophobicContact CD2-CD2 3.99Å; Y68-L190 HydrophobicContact CE2-CB 4.2Å; Y68-L190 HydrophobicContact CE2-CD2 4.26Å; Q71-L190 HydrophobicContact CB-CD1 4.21Å; Q71-L190 HydrophobicContact CB-CD2 3.93Å; L75-L190 HydrophobicContact CD1-CD1 3.55Å; L75-L190 HydrophobicContact CG-CD1 4.33Å; L186-L190 VanDerWaalsContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CB 3.24Å; L186-L190 PolarHBondContact O-N 3.38Å; N187-L190 PolarHBondContact O-N 3.23Å; L190-G192 PolarHBondContact O-N 3.03Å; L190-A193 PolarHBondContact O-N 2.81Å; L190-W194 HydrophobicContact CD1-CE3 4.37Å; L190-W194 WeakPolarHBondContact O-CB 3.44Å; L190-W194 PolarHBondContact O-N 3.47Å; L190-P292 HydrophobicContact CD2-CB 4.22Å; L190-P292 HydrophobicContact CG-CB 4.2Å; L190-L294 HydrophobicContact CD2-CD2 4.1Å
191K97.1Very high96.6Very high123 Ų12347.1 Ų47.154%0.53527%0.266SS..Hα-helixtrans-61.5-43.8177-177.2-176.4178.3-176.50111.9N187 D188 E189 A195N187-K191 VanDerWaalsContact O-CB 3.31Å; N187-K191 WeakPolarHBondContact O-CB 3.33Å; N187-K191 PolarHBondContact O-N 3Å; D188-K191 PolarHBondContact O-N 3.24Å; E189-K191 VanDerWaalsContact C-N 3.3Å; E189-K191 PolarHBondContact O-N 3.49Å; K191-A195 WeakPolarHBondContact O-CB 3.33Å; K191-A195 PolarHBondContact O-N 3.03Å
192G96.7Very high96.6Very high43 Ų4350 Ų5044%0.44328%0.281SS..Hα-helixtrans-62.9-50.217700000112.4D188 E189 L190 W194 A195 A196D188-G192 PolarHBondContact O-N 3.14Å; E189-G192 PolarHBondContact O-N 3.47Å; E189-G192 VanDerWaalsContact O-N 3.16Å; L190-G192 PolarHBondContact O-N 3.03Å; G192-W194 VanDerWaalsContact C-N 3.33Å; G192-W194 PolarHBondContact O-N 3.2Å; G192-A195 PolarHBondContact O-N 2.66Å; G192-A196 PolarHBondContact O-N 3.39Å
193A95.1Very high96.5Very high50 Ų5052 Ų5241%0.41330%0.297SS..Hα-helixtrans-60.9-42.4177.900000111.6L75 E189 L190 A196 R197L75-A193 HydrophobicContact CD1-CB 3.82Å; E189-A193 WeakPolarHBondContact O-CB 3.33Å; E189-A193 PolarHBondContact O-N 3.23Å; L190-A193 PolarHBondContact O-N 2.81Å; A193-A196 PolarHBondContact O-N 2.89Å; A193-R197 WeakPolarHBondContact O-CB 3.25Å; A193-R197 PolarHBondContact O-N 3.28Å
194W96.4Very high96.4Very high18 Ų1854.7 Ų54.77%0.06831%0.309CS..Hα-helixtrans-61.1-48.2176.4-164.1-69.2000111.7Q71 F74 L75 L190 G192 A196 R197 T198 L288 P292Q71-W194 HydrophobicContact CB-CZ3 4.36Å; Q71-W194 HydrophobicContact CG-CZ3 4.47Å; F74-W194 AromaticContact CD1-CH2 3.72Å; F74-W194 HydrophobicContact CD1-CH2 3.72Å; F74-W194 AromaticContact CD1-CZ3 3.69Å; F74-W194 HydrophobicContact CD1-CZ3 3.69Å; F74-W194 AromaticContact CE1-CH2 3.61Å; F74-W194 HydrophobicContact CE1-CH2 3.61Å; F74-W194 HydrophobicContact CE1-CZ2 4.1Å; F74-W194 AromaticContact CE1-CZ3 3.97Å; F74-W194 HydrophobicContact CE1-CZ3 3.97Å; L75-W194 HydrophobicContact CD1-CB 4.38Å; L75-W194 HydrophobicContact CD1-CE3 4.17Å; L75-W194 HydrophobicContact CD2-CD2 4.22Å; L75-W194 HydrophobicContact CD2-CE3 3.79Å; L75-W194 HydrophobicContact CD2-CZ3 4.32Å; L75-W194 HydrophobicContact CG-CE3 4.01Å; L75-W194 HydrophobicContact CG-CZ3 4.47Å; L190-W194 HydrophobicContact CD1-CE3 4.37Å; L190-W194 WeakPolarHBondContact O-CB 3.44Å; L190-W194 PolarHBondContact O-N 3.47Å; G192-W194 VanDerWaalsContact C-N 3.33Å; G192-W194 PolarHBondContact O-N 3.2Å; W194-A196 VanDerWaalsContact C-N 3.35Å; W194-A196 PolarHBondContact O-N 3.32Å; W194-R197 PolarHBondContact O-N 3.14Å; W194-R197 VanDerWaalsContact O-N 3.15Å; W194-T198 PolarHBondContact O-N 3.19Å; W194-T198 PolarHBondContact O-OG1 3.46Å; W194-L288 HydrophobicContact CD2-CD2 4.38Å; W194-L288 HydrophobicContact CZ2-CD2 4.2Å; W194-L288 PolarHBondContact NE1-O 3.3Å; W194-P292 HydrophobicContact CB-CG 4.2Å; W194-P292 HydrophobicContact CD2-CB 3.97Å; W194-P292 HydrophobicContact CD2-CG 4.25Å; W194-P292 HydrophobicContact CE3-CB 3.8Å; W194-P292 HydrophobicContact CG-CB 4.36Å; W194-P292 HydrophobicContact CG-CG 4.13Å; W194-P292 HydrophobicContact CZ3-CB 4.27Å
195A97.1Very high96.4Very high50 Ų5052.4 Ų52.441%0.41329%0.293SS..Hα-helixtrans-61.3-43.2178.100000112.1K191 G192 R197 T198 I199K191-A195 WeakPolarHBondContact O-CB 3.33Å; K191-A195 PolarHBondContact O-N 3.03Å; G192-A195 PolarHBondContact O-N 2.66Å; A195-R197 VanDerWaalsContact C-N 3.3Å; A195-R197 PolarHBondContact O-N 3.03Å; A195-T198 PolarHBondContact O-N 2.82Å; A195-I199 WeakPolarHBondContact O-CG1 3.46Å; A195-I199 PolarHBondContact O-N 3.41Å
196A96.1Very high96.4Very high59 Ų5954.9 Ų54.949%0.48830%0.303SS..Hα-helixtrans-58.2-44.1174.400000111.1G192 A193 W194 I199 Q200G192-A196 PolarHBondContact O-N 3.39Å; A193-A196 PolarHBondContact O-N 2.89Å; W194-A196 VanDerWaalsContact C-N 3.35Å; W194-A196 PolarHBondContact O-N 3.32Å; A196-I199 PolarHBondContact O-N 2.83Å; A196-Q200 WeakPolarHBondContact O-CB 3.44Å; A196-Q200 PolarHBondContact O-N 2.85Å
197R93.5Very high96.3Very high18 Ų1861.3 Ų61.37%0.06833%0.327CS..Hα-helixtrans-67.2-39.5178.5-167.867-165.8-161.22.6112.9L75 L78 D79 S82 A193 W194 A195 I199 Q200 M201 L288L75-R197 HydrophobicContact CD2-CB 4.47Å; L78-R197 HydrophobicContact CD1-CG 3.95Å; L78-R197 PolarHBondContact O-NH2 2.87Å; D79-R197 IonicContact OD1-NH1 3.79Å; D79-R197 PolarHBondContact OD1-NH1 3.47Å; S82-R197 PolarHBondContact OG-NH1 3.27Å; A193-R197 WeakPolarHBondContact O-CB 3.25Å; A193-R197 PolarHBondContact O-N 3.28Å; W194-R197 PolarHBondContact O-N 3.14Å; W194-R197 VanDerWaalsContact O-N 3.15Å; A195-R197 VanDerWaalsContact C-N 3.3Å; A195-R197 PolarHBondContact O-N 3.03Å; R197-I199 VanDerWaalsContact C-N 3.33Å; R197-I199 PolarHBondContact O-N 2.87Å; R197-Q200 PolarHBondContact O-N 2.94Å; R197-M201 VanDerWaalsContact O-CB 3.32Å; R197-M201 WeakPolarHBondContact O-CB 3.49Å; R197-M201 PolarHBondContact O-N 2.8Å; R197-L288 HydrophobicContact CB-CD2 4.41Å; R197-L288 HydrophobicContact CG-CD1 3.95Å; R197-L288 HydrophobicContact CG-CD2 4.16Å
198T96.7Very high96.3Very high22 Ų2262.8 Ų62.814%0.13533%0.333CS..Hα-helixtrans-59.1-45.7174.2-55.70000111W194 A195 M201 K202 L285 L288 N289W194-T198 PolarHBondContact O-N 3.19Å; W194-T198 PolarHBondContact O-OG1 3.46Å; A195-T198 PolarHBondContact O-N 2.82Å; T198-M201 PolarHBondContact O-N 3.3Å; T198-K202 VanDerWaalsContact O-CB 3.27Å; T198-K202 WeakPolarHBondContact O-CB 3.35Å; T198-K202 PolarHBondContact O-N 2.6Å; T198-L285 HydrophobicContact CG2-CD1 4.14Å; T198-L288 HydrophobicContact CG2-CB 4.34Å; T198-L288 PolarHBondContact OG1-O 3.06Å; T198-N289 VanDerWaalsContact CG2-OD1 3.27Å; T198-N289 WeakPolarHBondContact CG2-OD1 3.43Å
199I96.5Very high96.3Very high122 Ų12262 Ų6263%0.62633%0.326SS*.Hα-helixtrans-63.3-46.6178-68.1167.3000110.7A195 A196 R197 K202 A203A195-I199 WeakPolarHBondContact O-CG1 3.46Å; A195-I199 PolarHBondContact O-N 3.41Å; A196-I199 PolarHBondContact O-N 2.83Å; R197-I199 VanDerWaalsContact C-N 3.33Å; R197-I199 PolarHBondContact O-N 2.87Å; I199-K202 PolarHBondContact O-N 3.13Å; I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.2Å
200Q94.3Very high96.4Very high70 Ų7062.3 Ų62.333%0.32733%0.328SS..Hα-helixtrans-59.3-48.9178.2-179.2-176.6-6.200111.6A196 R197 K202 A203 Q204A196-Q200 WeakPolarHBondContact O-CB 3.44Å; A196-Q200 PolarHBondContact O-N 2.85Å; R197-Q200 PolarHBondContact O-N 2.94Å; Q200-K202 PolarHBondContact O-N 3.12Å; Q200-A203 PolarHBondContact O-N 3.3Å; Q200-Q204 PolarHBondContact O-N 3.44Å
201M95.1Very high96.4Very high5 Ų566.4 Ų66.43%0.02535%0.353CS..Hα-helixtrans-62.5-43.4179.2-17661.867.700111.1R197 T198 A203 Q204 V205 N281 M284 L285 L288R197-M201 VanDerWaalsContact O-CB 3.32Å; R197-M201 WeakPolarHBondContact O-CB 3.49Å; R197-M201 PolarHBondContact O-N 2.8Å; T198-M201 PolarHBondContact O-N 3.3Å; M201-A203 VanDerWaalsContact C-N 3.31Å; M201-A203 PolarHBondContact O-N 3.42Å; M201-Q204 WeakPolarHBondContact O-CB 3.15Å; M201-Q204 PolarHBondContact O-N 2.83Å; M201-Q204 VanDerWaalsContact O-N 3.1Å; M201-V205 WeakPolarHBondContact O-CG2 3.39Å; M201-V205 PolarHBondContact O-N 3.42Å; M201-V205 HydrophobicContact SD-CG2 4.47Å; M201-N281 HydrophobicContact SD-CB 3.68Å; M201-M284 HydrophobicContact CE-CB 4.17Å; M201-M284 HydrophobicContact CE-CG 3.72Å; M201-L285 HydrophobicContact CB-CD1 4.14Å; M201-L285 HydrophobicContact CG-CB 3.77Å; M201-L285 HydrophobicContact CG-CD1 4.05Å; M201-L285 HydrophobicContact CG-CG 4.41Å; M201-L288 HydrophobicContact CB-CD1 3.76Å; M201-L288 HydrophobicContact CG-CD1 4.03Å
202K97.3Very high96.4Very high137 Ų13761 Ų6160%0.59633%0.332SS*.Hα-helixtrans-58.6-43.2175.3-173.7177-176.9176.70111.9T198 I199 Q200 Q204 K206 L285T198-K202 VanDerWaalsContact O-CB 3.27Å; T198-K202 WeakPolarHBondContact O-CB 3.35Å; T198-K202 PolarHBondContact O-N 2.6Å; I199-K202 PolarHBondContact O-N 3.13Å; Q200-K202 PolarHBondContact O-N 3.12Å; K202-Q204 VanDerWaalsContact C-N 3.33Å; K202-K206 WeakPolarHBondContact O-CB 3.46Å; K202-K206 PolarHBondContact O-N 2.95Å; K202-L285 HydrophobicContact CB-CD1 4.01Å; K202-L285 HydrophobicContact CB-CD2 4.26Å; K202-L285 HydrophobicContact CG-CD2 4.45Å
203A97Very high96.4Very high40 Ų4064.7 Ų64.733%0.33134%0.335SS..Hα-helixtrans-65.4-37176.400000111.8I199 Q200 M201 R207I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.2Å; Q200-A203 PolarHBondContact O-N 3.3Å; M201-A203 VanDerWaalsContact C-N 3.31Å; M201-A203 PolarHBondContact O-N 3.42Å; A203-R207 WeakPolarHBondContact O-CG 3.35Å; A203-R207 PolarHBondContact O-N 3.34Å; A203-R207 PolarHBondContact O-NH1 2.9Å
204Q94.7Very high96.6Very high58 Ų5864.7 Ų64.727%0.27134%0.335SS..Hα-helixtrans-64.8-50.2176-178.5171.84.100112.2Q200 M201 K202 K206 R207 Q208 N281Q200-Q204 PolarHBondContact O-N 3.44Å; M201-Q204 WeakPolarHBondContact O-CB 3.15Å; M201-Q204 PolarHBondContact O-N 2.83Å; M201-Q204 VanDerWaalsContact O-N 3.1Å; K202-Q204 VanDerWaalsContact C-N 3.33Å; Q204-K206 VanDerWaalsContact C-N 3.32Å; Q204-K206 PolarHBondContact O-N 3.23Å; Q204-R207 PolarHBondContact O-N 3.37Å; Q204-R207 VanDerWaalsContact O-N 3.16Å; Q204-Q208 PolarHBondContact O-N 2.79Å; Q204-N281 PolarHBondContact NE2-ND2 3Å
205V97.2Very high96.5Very high8 Ų868.8 Ų68.85%0.04836%0.357CS..Hα-helixtrans-57.7-46.8176.7174.50000110.3M201 R207 Q208 E209 Y278 N281 L285M201-V205 WeakPolarHBondContact O-CG2 3.39Å; M201-V205 PolarHBondContact O-N 3.42Å; M201-V205 HydrophobicContact SD-CG2 4.47Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-R207 PolarHBondContact O-N 3.06Å; V205-Q208 WeakPolarHBondContact O-CB 3.43Å; V205-Q208 PolarHBondContact O-N 3.28Å; V205-Q208 VanDerWaalsContact O-N 3.12Å; V205-E209 WeakPolarHBondContact O-CG 3.37Å; V205-E209 PolarHBondContact O-N 3.34Å; V205-Y278 HydrophobicContact CG1-CD2 4.26Å; V205-Y278 HydrophobicContact CG1-CE2 3.62Å; V205-N281 HydrophobicContact CG2-CB 3.79Å; V205-L285 HydrophobicContact CB-CD2 4.35Å; V205-L285 HydrophobicContact CG2-CD2 4.11Å
206K97.7Very high96.5Very high123 Ų12368.4 Ų68.454%0.53535%0.346SS..Hα-helixtrans-59.1-42.4177.1-177.1177.2174.4-1730112.6K202 Q204 Q208 E209 E210K202-K206 WeakPolarHBondContact O-CB 3.46Å; K202-K206 PolarHBondContact O-N 2.95Å; Q204-K206 VanDerWaalsContact C-N 3.32Å; Q204-K206 PolarHBondContact O-N 3.23Å; K206-Q208 VanDerWaalsContact C-N 3.33Å; K206-Q208 PolarHBondContact O-N 3.3Å; K206-E209 PolarHBondContact O-N 3Å; K206-E210 WeakPolarHBondContact CE-OE1 3.38Å; K206-E210 IonicContact NZ-OE1 2.6Å; K206-E210 WeakPolarHBondContact O-CG 3.47Å; K206-E210 PolarHBondContact O-N 2.93Å
207R96.7Very high96.5Very high138 Ų13869.4 Ų69.452%0.52134%0.342SS..Hα-helixtrans-62.2-41.2175.8-76.1-171-54.7-86.94111.7A203 Q204 V205 E209 E210 V211A203-R207 WeakPolarHBondContact O-CG 3.35Å; A203-R207 PolarHBondContact O-N 3.34Å; A203-R207 PolarHBondContact O-NH1 2.9Å; Q204-R207 PolarHBondContact O-N 3.37Å; Q204-R207 VanDerWaalsContact O-N 3.16Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-R207 PolarHBondContact O-N 3.06Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.36Å; R207-E210 PolarHBondContact O-N 3.05Å; R207-V211 WeakPolarHBondContact O-CB 3.39Å; R207-V211 VanDerWaalsContact O-CG2 3.26Å; R207-V211 WeakPolarHBondContact O-CG2 3.27Å; R207-V211 PolarHBondContact O-N 3.46Å
208Q97.1Very high96.6Very high39 Ų3976.7 Ų76.718%0.18237%0.37CS..Hα-helixtrans-62.6-39.5176.2-70.3177.3-6500111.3Q204 V205 K206 V211 A212 Y278 N281Q204-Q208 PolarHBondContact O-N 2.79Å; V205-Q208 WeakPolarHBondContact O-CB 3.43Å; V205-Q208 PolarHBondContact O-N 3.28Å; V205-Q208 VanDerWaalsContact O-N 3.12Å; K206-Q208 VanDerWaalsContact C-N 3.33Å; K206-Q208 PolarHBondContact O-N 3.3Å; Q208-V211 PolarHBondContact O-N 3.28Å; Q208-A212 VanDerWaalsContact O-CB 3.31Å; Q208-A212 WeakPolarHBondContact O-CB 3.33Å; Q208-A212 PolarHBondContact O-N 3.3Å; Q208-Y278 HydrophobicContact CB-CD2 3.87Å; Q208-N281 PolarHBondContact OE1-ND2 2.83Å
209E97.4Very high96.4Very high76 Ų7681.1 Ų81.136%0.35538%0.384SS..Hα-helixtrans-62.9-44.7174.5-67.7169.9174.100112.9V205 K206 R207 V211 A212 K213 F274 Y278V205-E209 WeakPolarHBondContact O-CG 3.37Å; V205-E209 PolarHBondContact O-N 3.34Å; K206-E209 PolarHBondContact O-N 3Å; R207-E209 VanDerWaalsContact C-N 3.31Å; R207-E209 PolarHBondContact O-N 3.36Å; E209-V211 VanDerWaalsContact C-N 3.35Å; E209-A212 PolarHBondContact O-N 2.82Å; E209-K213 VanDerWaalsContact O-CB 3.26Å; E209-K213 WeakPolarHBondContact O-CB 3.48Å; E209-K213 PolarHBondContact O-N 2.56Å; E209-F274 HydrophobicContact CG-CE1 4.05Å; E209-F274 HydrophobicContact CG-CZ 4.47Å; E209-Y278 HydrophobicContact CG-CD2 4.49Å; E209-Y278 HydrophobicContact CG-CE2 3.53Å; E209-Y278 PolarHBondContact OE1-OH 3.24Å
210E97.7Very high96.3Very high110 Ų11076.2 Ų76.251%0.51436%0.359SS..Hα-helixtrans-64.9-38.9176.7-71.5176.3174.800111.8K206 R207 A214K206-E210 WeakPolarHBondContact CE-OE1 3.38Å; K206-E210 IonicContact NZ-OE1 2.6Å; K206-E210 WeakPolarHBondContact O-CG 3.47Å; K206-E210 PolarHBondContact O-N 2.93Å; R207-E210 PolarHBondContact O-N 3.05Å; E210-A214 WeakPolarHBondContact O-CB 3.25Å; E210-A214 PolarHBondContact O-N 3.06Å
211V97.2Very high96.3Very high86 Ų8676.7 Ų76.752%0.52136%0.364SS..Hα-helixtrans-66.4-48.6175.4170.20000111.2R207 Q208 E209 K213 A214 I215R207-V211 WeakPolarHBondContact O-CB 3.39Å; R207-V211 VanDerWaalsContact O-CG2 3.26Å; R207-V211 WeakPolarHBondContact O-CG2 3.27Å; R207-V211 PolarHBondContact O-N 3.46Å; Q208-V211 PolarHBondContact O-N 3.28Å; E209-V211 VanDerWaalsContact C-N 3.35Å; V211-K213 VanDerWaalsContact C-N 3.29Å; V211-K213 PolarHBondContact O-N 2.88Å; V211-A214 PolarHBondContact O-N 3.41Å; V211-A214 VanDerWaalsContact O-N 3.17Å; V211-I215 HydrophobicContact CG1-CD1 3.92Å; V211-I215 WeakPolarHBondContact O-CG1 3.26Å; V211-I215 PolarHBondContact O-N 2.9Å
212A97.7Very high96.2Very high10 Ų1077.1 Ų77.18%0.08337%0.367CS..Hα-helixtrans-59.4-42.5178.100000111.1Q208 E209 I215 Y216 P272 F274Q208-A212 VanDerWaalsContact O-CB 3.31Å; Q208-A212 WeakPolarHBondContact O-CB 3.33Å; Q208-A212 PolarHBondContact O-N 3.3Å; E209-A212 PolarHBondContact O-N 2.82Å; A212-I215 PolarHBondContact O-N 2.85Å; A212-Y216 WeakPolarHBondContact O-CB 3.38Å; A212-Y216 PolarHBondContact O-N 3.41Å; A212-P272 HydrophobicContact CB-CB 4.1Å; A212-F274 HydrophobicContact CB-CD1 3.84Å; A212-F274 HydrophobicContact CB-CE1 3.55Å; A212-F274 HydrophobicContact CB-CZ 4.13Å
213K97.1Very high96.1Very high120 Ų12070.6 Ų70.652%0.52234%0.339SS..Hα-helixtrans-62.4-44.5174.8-173.3178.9178.7-176.80112.2E209 V211 I215 Y216 D217E209-K213 VanDerWaalsContact O-CB 3.26Å; E209-K213 WeakPolarHBondContact O-CB 3.48Å; E209-K213 PolarHBondContact O-N 2.56Å; V211-K213 VanDerWaalsContact C-N 3.29Å; V211-K213 PolarHBondContact O-N 2.88Å; K213-I215 VanDerWaalsContact C-N 3.33Å; K213-I215 PolarHBondContact O-N 3.12Å; K213-Y216 WeakPolarHBondContact O-CB 3.34Å; K213-Y216 PolarHBondContact O-N 2.61Å; K213-D217 WeakPolarHBondContact O-CB 2.94Å; K213-D217 VanDerWaalsContact O-CG 3.25Å; K213-D217 PolarHBondContact O-N 3.5Å
214A97.6Very high96Very high50 Ų5073 Ų7341%0.41334%0.343SS..Hα-helixtrans-64.1-37178.300000112.9E210 V211 R218E210-A214 WeakPolarHBondContact O-CB 3.25Å; E210-A214 PolarHBondContact O-N 3.06Å; V211-A214 PolarHBondContact O-N 3.41Å; V211-A214 VanDerWaalsContact O-N 3.17Å; A214-R218 WeakPolarHBondContact O-CB 3.42Å; A214-R218 PolarHBondContact O-N 3.43Å; A214-R218 VanDerWaalsContact O-N 3.14Å
215I95.4Very high95.9Very high103 Ų10375.3 Ų75.353%0.52835%0.354SS..Hα-helixtrans-66.6-44.6174-67.3168.5000110.2V211 A212 K213 R218 R219V211-I215 HydrophobicContact CG1-CD1 3.92Å; V211-I215 WeakPolarHBondContact O-CG1 3.26Å; V211-I215 PolarHBondContact O-N 2.9Å; A212-I215 PolarHBondContact O-N 2.85Å; K213-I215 VanDerWaalsContact C-N 3.33Å; K213-I215 PolarHBondContact O-N 3.12Å; I215-R218 PolarHBondContact O-N 3.18Å; I215-R219 WeakPolarHBondContact O-CB 3.15Å; I215-R219 PolarHBondContact O-N 2.98Å
216Y96.6Very high95.8Very high43 Ų4375.2 Ų75.217%0.16935%0.354CS..Hα-helixtrans-58.8-51.9176.3172.7-97.1000112.2A212 K213 R218 R219 M220 L267 G271 P272A212-Y216 WeakPolarHBondContact O-CB 3.38Å; A212-Y216 PolarHBondContact O-N 3.41Å; K213-Y216 WeakPolarHBondContact O-CB 3.34Å; K213-Y216 PolarHBondContact O-N 2.61Å; Y216-R218 VanDerWaalsContact C-N 3.28Å; Y216-R218 PolarHBondContact O-N 3.19Å; Y216-R219 PolarHBondContact O-N 3.18Å; Y216-R219 VanDerWaalsContact O-N 3.11Å; Y216-M220 HydrophobicContact CE1-CE 3.96Å; Y216-M220 HydrophobicContact CE2-CE 3.78Å; Y216-M220 WeakPolarHBondContact O-CB 3.18Å; Y216-M220 PolarHBondContact O-N 3.32Å; Y216-M220 WeakPolarHBondContact OH-CE 3.35Å; Y216-L267 HydrophobicContact CD2-CD1 3.72Å; Y216-L267 HydrophobicContact CD2-CG 4.05Å; Y216-L267 HydrophobicContact CE2-CD1 3.78Å; Y216-L267 HydrophobicContact CE2-CD2 4.47Å; Y216-L267 HydrophobicContact CE2-CG 3.69Å; Y216-L267 WeakPolarHBondContact CE2-O 3.46Å; Y216-G271 WeakPolarHBondContact CD2-O 3.31Å; Y216-G271 VanDerWaalsContact CE2-C 3.45Å; Y216-P272 HydrophobicContact CD1-CG 4.17Å; Y216-P272 HydrophobicContact CD2-CG 4.29Å; Y216-P272 HydrophobicContact CG-CB 4.34Å; Y216-P272 HydrophobicContact CG-CG 3.87Å
217D96.8Very high95.7Very high79 Ų7970.3 Ų70.342%0.42233%0.333SS..Hα-helixtrans-60.5-38.7-179.5-69.3-19.4000111.2K213 N221K213-D217 WeakPolarHBondContact O-CB 2.94Å; K213-D217 VanDerWaalsContact O-CG 3.25Å; K213-D217 PolarHBondContact O-N 3.5Å; D217-N221 WeakPolarHBondContact O-CB 3.27Å; D217-N221 PolarHBondContact O-N 3.27Å; D217-N221 VanDerWaalsContact O-N 3.07Å
218R94.5Very high95.6Very high172 Ų17269.7 Ų69.765%0.64933%0.334SS*.Hα-helixtrans-63.4-45.6174.7-172.1-175.2-52.41804.5112A214 I215 Y216 N221 S222A214-R218 WeakPolarHBondContact O-CB 3.42Å; A214-R218 PolarHBondContact O-N 3.43Å; A214-R218 VanDerWaalsContact O-N 3.14Å; I215-R218 PolarHBondContact O-N 3.18Å; Y216-R218 VanDerWaalsContact C-N 3.28Å; Y216-R218 PolarHBondContact O-N 3.19Å; R218-N221 PolarHBondContact O-N 3.35Å; R218-S222 PolarHBondContact O-N 3.46Å; R218-S222 PolarHBondContact O-OG 3.47Å
219R92.5Very high95.5Very high115 Ų11570.8 Ų70.843%0.43434%0.341SS..Hα-helixtrans-68.5-35.6-179.6-165.6173.7-172.9177.51.8112.1I215 Y216 S222 I223 L267I215-R219 WeakPolarHBondContact O-CB 3.15Å; I215-R219 PolarHBondContact O-N 2.98Å; Y216-R219 PolarHBondContact O-N 3.18Å; Y216-R219 VanDerWaalsContact O-N 3.11Å; R219-S222 WeakPolarHBondContact CA-OG 3.25Å; R219-S222 PolarHBondContact O-OG 3.05Å; R219-S222 VanDerWaalsContact O-OG 3.1Å; R219-I223 HydrophobicContact CG-CD1 4.05Å; R219-I223 WeakPolarHBondContact O-CD1 3.34Å; R219-I223 VanDerWaalsContact O-CG1 3.28Å; R219-I223 WeakPolarHBondContact O-CG1 3.38Å; R219-I223 PolarHBondContact O-N 2.99Å; R219-I223 VanDerWaalsContact O-N 3.08Å; R219-L267 HydrophobicContact CB-CD2 4.07Å; R219-L267 HydrophobicContact CG-CD2 3.94Å
220M94.7Very high95.3Very high19 Ų1967.1 Ų67.19%0.09432%0.324CS..Hα-helixtrans-58.6-54.2172.2-169.864.264.400110.1Y216 S222 I223 E224 L264 L267 Q268Y216-M220 HydrophobicContact CE1-CE 3.96Å; Y216-M220 HydrophobicContact CE2-CE 3.78Å; Y216-M220 WeakPolarHBondContact O-CB 3.18Å; Y216-M220 PolarHBondContact O-N 3.32Å; Y216-M220 WeakPolarHBondContact OH-CE 3.35Å; M220-S222 VanDerWaalsContact C-N 3.34Å; M220-S222 PolarHBondContact O-N 3.43Å; M220-I223 PolarHBondContact O-N 3.5Å; M220-E224 WeakPolarHBondContact O-CG 3.31Å; M220-E224 PolarHBondContact O-N 2.73Å; M220-L264 HydrophobicContact SD-CD1 3.23Å; M220-L264 WeakPolarHBondContact SD-CD1 3.4Å; M220-L264 HydrophobicContact SD-CG 4.41Å; M220-L267 HydrophobicContact CB-CD2 4.41Å; M220-L267 HydrophobicContact CE-CB 4.45Å; M220-L267 HydrophobicContact CE-CD2 3.91Å; M220-L267 HydrophobicContact CE-CG 3.89Å; M220-L267 HydrophobicContact SD-CD2 4.36Å; M220-Q268 HydrophobicContact CE-CB 4.45Å; M220-Q268 HydrophobicContact CE-CG 3.45Å; M220-Q268 VanDerWaalsContact CE-CG 3.45Å; M220-Q268 HydrophobicContact SD-CG 3.86Å
221N94.3Very high95.1Very high80 Ų8066.5 Ų66.543%0.42832%0.321SS..Hα-helixtrans-61.9-40.2-178.8-168.87.5000112.1D217 R218 E224 Q225D217-N221 WeakPolarHBondContact O-CB 3.27Å; D217-N221 PolarHBondContact O-N 3.27Å; D217-N221 VanDerWaalsContact O-N 3.07Å; R218-N221 PolarHBondContact O-N 3.35Å; N221-E224 PolarHBondContact O-N 3.34Å; N221-Q225 WeakPolarHBondContact O-CB 3.37Å; N221-Q225 WeakPolarHBondContact O-CG 3.24Å; N221-Q225 PolarHBondContact O-N 2.99Å; N221-Q225 PolarHBondContact OD1-NE2 2.97Å
222S93.4Very high95Very high13 Ų1368.3 Ų68.39%0.09132%0.323CS..Hα-helixtrans-67.1-38.3178.162.70000112.8R218 R219 M220 A226 M252R218-S222 PolarHBondContact O-N 3.46Å; R218-S222 PolarHBondContact O-OG 3.47Å; R219-S222 WeakPolarHBondContact CA-OG 3.25Å; R219-S222 PolarHBondContact O-OG 3.05Å; R219-S222 VanDerWaalsContact O-OG 3.1Å; M220-S222 VanDerWaalsContact C-N 3.34Å; M220-S222 PolarHBondContact O-N 3.43Å; S222-A226 VanDerWaalsContact O-CB 3.29Å; S222-A226 WeakPolarHBondContact O-CB 3.45Å; S222-A226 PolarHBondContact O-N 3.49Å; S222-M252 WeakPolarHBondContact OG-CE 3.25Å
223I94.1Very high94.8Very high0 Ų073.9 Ų73.90%035%0.348CS..Hα-helixtrans-69-42.9174.8-65.9165.3000111.2R219 M220 Q225 A226 L227 M252 L260 R263 L264 L267R219-I223 HydrophobicContact CG-CD1 4.05Å; R219-I223 WeakPolarHBondContact O-CD1 3.34Å; R219-I223 VanDerWaalsContact O-CG1 3.28Å; R219-I223 WeakPolarHBondContact O-CG1 3.38Å; R219-I223 PolarHBondContact O-N 2.99Å; R219-I223 VanDerWaalsContact O-N 3.08Å; M220-I223 PolarHBondContact O-N 3.5Å; I223-Q225 PolarHBondContact O-N 3.35Å; I223-A226 PolarHBondContact O-N 3.16Å; I223-L227 WeakPolarHBondContact O-CB 3.32Å; I223-L227 PolarHBondContact O-N 2.88Å; I223-M252 HydrophobicContact CG1-SD 4.34Å; I223-L260 HydrophobicContact CG2-CD2 4.43Å; I223-R263 HydrophobicContact CD1-CG 3.85Å; I223-L264 HydrophobicContact CB-CD1 4.43Å; I223-L264 HydrophobicContact CG2-CB 3.86Å; I223-L264 HydrophobicContact CG2-CD1 4.02Å; I223-L267 HydrophobicContact CD1-CD2 3.79Å
224E95Very high94.5Very high92 Ų9273.7 Ų73.743%0.4335%0.352SS..Hα-helixtrans-61-43.2176.8-74.7178.7176.300111.8M220 N221 L227 K228 L264M220-E224 WeakPolarHBondContact O-CG 3.31Å; M220-E224 PolarHBondContact O-N 2.73Å; N221-E224 PolarHBondContact O-N 3.34Å; E224-L227 PolarHBondContact O-N 3.14Å; E224-K228 WeakPolarHBondContact O-CB 3.37Å; E224-K228 PolarHBondContact O-N 3.39Å; E224-L264 HydrophobicContact CG-CD1 3.9Å; E224-L264 HydrophobicContact CG-CD2 4.42Å
225Q94.1Very high94.2Very high106 Ų10672.7 Ų72.750%0.49534%0.34SS..Hα-helixtrans-64.2-45.5175.1-73.117715.500111.8N221 I223 L227 K228 I229N221-Q225 WeakPolarHBondContact O-CB 3.37Å; N221-Q225 WeakPolarHBondContact O-CG 3.24Å; N221-Q225 PolarHBondContact O-N 2.99Å; N221-Q225 PolarHBondContact OD1-NE2 2.97Å; I223-Q225 PolarHBondContact O-N 3.35Å; Q225-L227 VanDerWaalsContact C-N 3.32Å; Q225-L227 PolarHBondContact O-N 3.4Å; Q225-K228 PolarHBondContact O-N 3.23Å; Q225-I229 WeakPolarHBondContact O-CG1 3.47Å; Q225-I229 PolarHBondContact O-N 3.38Å
226A94.9Very high93.9Very high5 Ų570.5 Ų70.54%0.04133%0.334CS..Hα-helixtrans-61-41.2176.500000111.9S222 I223 I229 A230 M252 F253 L260S222-A226 VanDerWaalsContact O-CB 3.29Å; S222-A226 WeakPolarHBondContact O-CB 3.45Å; S222-A226 PolarHBondContact O-N 3.49Å; I223-A226 PolarHBondContact O-N 3.16Å; A226-I229 PolarHBondContact O-N 3.05Å; A226-A230 WeakPolarHBondContact O-CB 3.44Å; A226-A230 PolarHBondContact O-N 2.79Å; A226-M252 HydrophobicContact CB-CB 3.68Å; A226-F253 HydrophobicContact CB-CB 4.3Å; A226-F253 WeakPolarHBondContact O-CB 3.23Å; A226-L260 HydrophobicContact CB-CD1 4.13Å; A226-L260 HydrophobicContact CB-CD2 3.92Å
227L95Very high93.6Very high20 Ų2078.5 Ų78.511%0.10536%0.363CS..Hα-helixtrans-63.2-45.2177.1-177.562.6000110.8I223 E224 Q225 I229 A230 E231 R257 L260 L264I223-L227 WeakPolarHBondContact O-CB 3.32Å; I223-L227 PolarHBondContact O-N 2.88Å; E224-L227 PolarHBondContact O-N 3.14Å; Q225-L227 VanDerWaalsContact C-N 3.32Å; Q225-L227 PolarHBondContact O-N 3.4Å; L227-I229 VanDerWaalsContact C-N 3.35Å; L227-I229 PolarHBondContact O-N 3.46Å; L227-A230 PolarHBondContact O-N 2.83Å; L227-E231 WeakPolarHBondContact O-CG 3.49Å; L227-E231 PolarHBondContact O-N 3.49Å; L227-R257 HydrophobicContact CD1-CB 4.16Å; L227-R257 HydrophobicContact CD1-CG 4.25Å; L227-L260 HydrophobicContact CB-CB 4.28Å; L227-L260 HydrophobicContact CD1-CB 3.9Å; L227-L264 HydrophobicContact CD2-CD2 4.22Å
228K95Very high93.2Very high126 Ų12677.8 Ų77.855%0.54837%0.365SS..Hα-helixtrans-58.8-43.6175.6-177.3179.2179.5-179.60112.3E224 Q225 E231 Q232E224-K228 WeakPolarHBondContact O-CB 3.37Å; E224-K228 PolarHBondContact O-N 3.39Å; Q225-K228 PolarHBondContact O-N 3.23Å; K228-E231 PolarHBondContact O-N 2.8Å; K228-Q232 VanDerWaalsContact O-CG 3.28Å; K228-Q232 WeakPolarHBondContact O-CG 3.5Å; K228-Q232 PolarHBondContact O-N 3.33Å
229I94.3Very high92.8Very high61 Ų6172.8 Ų72.831%0.31336%0.36SS..Hα-helixtrans-65.6-44.8176.8-65.4166.9000110.2Q225 A226 L227 E231 Q232 H233 F253Q225-I229 WeakPolarHBondContact O-CG1 3.47Å; Q225-I229 PolarHBondContact O-N 3.38Å; A226-I229 PolarHBondContact O-N 3.05Å; L227-I229 VanDerWaalsContact C-N 3.35Å; L227-I229 PolarHBondContact O-N 3.46Å; I229-E231 VanDerWaalsContact C-N 3.29Å; I229-E231 PolarHBondContact O-N 3.45Å; I229-Q232 PolarHBondContact O-N 3.18Å; I229-H233 PolarHBondContact O-CD2 3.23Å; I229-H233 VanDerWaalsContact O-CD2 3.31Å; I229-H233 PolarHBondContact O-N 3.24Å; I229-F253 HydrophobicContact CB-CB 3.86Å; I229-F253 HydrophobicContact CB-CG 4.23Å; I229-F253 HydrophobicContact CD1-CD1 4.49Å; I229-F253 HydrophobicContact CG2-CB 3.73Å; I229-F253 HydrophobicContact CG2-CD1 3.94Å; I229-F253 HydrophobicContact CG2-CD2 3.86Å; I229-F253 HydrophobicContact CG2-CE2 4.47Å; I229-F253 HydrophobicContact CG2-CG 3.57Å
230A94.3Very high92.5Very high0 Ų068.7 Ų68.70%035%0.348CS..Hα-helixtrans-60.9-36.9177.300000112.4A226 L227 N234 I235 F253 R257 L260A226-A230 WeakPolarHBondContact O-CB 3.44Å; A226-A230 PolarHBondContact O-N 2.79Å; L227-A230 PolarHBondContact O-N 2.83Å; A230-N234 CarbonylContact O-C 3.44Å; A230-N234 WeakPolarHBondContact O-CA 3.46Å; A230-N234 PolarHBondContact O-N 3.02Å; A230-I235 HydrophobicContact CB-CB 4.25Å; A230-I235 PolarHBondContact O-N 3.14Å; A230-F253 HydrophobicContact CB-CB 4.41Å; A230-R257 HydrophobicContact CB-CG 4.06Å; A230-L260 HydrophobicContact CB-CD1 3.92Å
231E93.6Very high92.1Very high97 Ų9776 Ų7645%0.45339%0.388SS..Hα-helixtrans-65.6-49.7172.7-75.2174.7173.400112.6L227 K228 I229 H233 N234 R257L227-E231 WeakPolarHBondContact O-CG 3.49Å; L227-E231 PolarHBondContact O-N 3.49Å; K228-E231 PolarHBondContact O-N 2.8Å; I229-E231 VanDerWaalsContact C-N 3.29Å; I229-E231 PolarHBondContact O-N 3.45Å; E231-H233 PolarHBondContact O-N 3.09Å; E231-N234 PolarHBondContact O-N 2.84Å; E231-N234 VanDerWaalsContact O-N 3.12Å; E231-R257 HydrophobicContact CG-CG 4.02Å
232Q94.1Very high91.7Very high123 Ų12375.1 Ų75.158%0.57539%0.385SS*.Hα-helixtrans-59.5-36.9179.2-73.8176.8-13.300112.3K228 I229K228-Q232 VanDerWaalsContact O-CG 3.28Å; K228-Q232 WeakPolarHBondContact O-CG 3.5Å; K228-Q232 PolarHBondContact O-N 3.33Å; I229-Q232 PolarHBondContact O-N 3.18Å
233H92.7Very high91.4Very high128 Ų12877.7 Ų77.759%0.59340%0.401SS*.THydrogen-bonded Turntrans-94.96.1179.1-69.6-77.1000114.2I229 E231 I235I229-H233 PolarHBondContact O-CD2 3.23Å; I229-H233 VanDerWaalsContact O-CD2 3.31Å; I229-H233 PolarHBondContact O-N 3.24Å; E231-H233 PolarHBondContact O-N 3.09Å; H233-I235 HydrophobicContact CB-CD1 3.9Å; H233-I235 HydrophobicContact CB-CG1 3.9Å; H233-I235 PolarHBondContact O-N 3.43Å
234N91.8Very high90.8Very high115 Ų11578.6 Ų78.662%0.61541%0.409SS*.THydrogen-bonded Turntrans54.730.6-179-62.4-71.5000114.9A230 E231 S236A230-N234 CarbonylContact O-C 3.44Å; A230-N234 WeakPolarHBondContact O-CA 3.46Å; A230-N234 PolarHBondContact O-N 3.02Å; E231-N234 PolarHBondContact O-N 2.84Å; E231-N234 VanDerWaalsContact O-N 3.12Å; N234-S236 PolarHBondContact O-N 2.93Å; N234-S236 PolarHBondContact O-OG 3.25Å
235I91.4Very high90.2Very high30 Ų3081.7 Ų81.715%0.15442%0.423CS..  trans-75.495.7179.4-56.6170.3000108.6A230 H233 R237 A239 F253 G256 R257A230-I235 HydrophobicContact CB-CB 4.25Å; A230-I235 PolarHBondContact O-N 3.14Å; H233-I235 HydrophobicContact CB-CD1 3.9Å; H233-I235 HydrophobicContact CB-CG1 3.9Å; H233-I235 PolarHBondContact O-N 3.43Å; I235-R237 WeakPolarHBondContact CG2-O 3.16Å; I235-A239 HydrophobicContact CG2-CB 4.49Å; I235-F253 HydrophobicContact CD1-CD2 3.56Å; I235-F253 HydrophobicContact CD1-CE2 3.99Å; I235-G256 VanDerWaalsContact O-CA 3.24Å; I235-G256 WeakPolarHBondContact O-CA 3.4Å; I235-R257 PolarHBondContact O-N 2.65Å
236S89.2Confident89.9Confident57 Ų5783.5 Ų83.540%0.39943%0.431SS..  trans-99.6-10-175-53.80000113.9N234 R257 P258N234-S236 PolarHBondContact O-N 2.93Å; N234-S236 PolarHBondContact O-OG 3.25Å; S236-R257 PolarHBondContact OG-NH2 3.36Å; S236-P258 WeakPolarHBondContact O-CD 3.16Å
237R89.1Confident89.4Confident210 Ų21083.8 Ų83.879%0.79243%0.432SS*.SBendtrans-132.6157.5178.462.9-179.4179-178.50.6109.3I235 A239I235-R237 WeakPolarHBondContact CG2-O 3.16Å; R237-A239 PolarHBondContact O-N 3.04Å
238S88.3Confident89.2Confident64 Ų6485.7 Ų85.745%0.44845%0.446SS..  trans-56.5130.4173.1-168.20000110.2T240 L254S238-T240 PolarHBondContact OG-O 3.49Å; S238-L254 CarbonylContact C-O 3.53Å; S238-L254 WeakPolarHBondContact CA-O 3.3Å
239A87.1Confident88.7Confident68 Ų6884.3 Ų84.356%0.56244%0.444SS*.  trans-110.615177.300000112I235 R237 L254I235-A239 HydrophobicContact CG2-CB 4.49Å; R237-A239 PolarHBondContact O-N 3.04Å; A239-L254 HydrophobicContact CB-CB 4.47Å; A239-L254 HydrophobicContact CB-CD2 4.06Å; A239-L254 PolarHBondContact N-O 3.19Å
240T86.7Confident88.4Confident28 Ų2885.6 Ų85.617%0.17246%0.459CS..  trans-139.6148.7178.2-176.40000110.4S238 V242 L247 L254S238-T240 PolarHBondContact OG-O 3.49Å; T240-V242 PolarHBondContact OG1-N 3.42Å; T240-V242 VanDerWaalsContact OG1-N 3.15Å; T240-L247 HydrophobicContact CG2-CD1 3.61Å; T240-L247 HydrophobicContact CG2-CD2 4.01Å; T240-L247 HydrophobicContact CG2-CG 4.39Å; T240-L254 HydrophobicContact CG2-CB 3.88Å
241D86.4Confident88.2Confident174 Ų17489.7 Ų89.793%0.9348%0.478SS*.  trans-94.2-6.5172.3-61.3-41.3000112
242V85.8Confident88Confident61 Ų6185.2 Ų85.237%0.3746%0.457SS..SBendtrans-70.2133.4178.3-177.50000109.4T240 E246 L247T240-V242 PolarHBondContact OG1-N 3.42Å; T240-V242 VanDerWaalsContact OG1-N 3.15Å; V242-E246 HydrophobicContact CG1-CB 3.99Å; V242-L247 HydrophobicContact CB-CD2 3.8Å; V242-L247 HydrophobicContact CB-CG 3.99Å; V242-L247 HydrophobicContact CG1-CD2 3.99Å; V242-L247 HydrophobicContact CG1-CG 3.89Å; V242-L247 HydrophobicContact CG2-CD2 4.46Å
243P86Confident87.9Confident66 Ų6681.9 Ų81.943%0.42944%0.441SS..  trans-54.3145.2175-26.435.2000113.1E245 E246 L247P243-E245 PolarHBondContact O-N 3.39Å; P243-E245 VanDerWaalsContact O-N 3.08Å; P243-E246 HydrophobicContact CB-CG 4.49Å; P243-E246 PolarHBondContact O-N 2.74Å; P243-L247 PolarHBondContact O-N 3.07Å
244A81.4Confident88Confident19 Ų1977.6 Ų77.616%0.15742%0.422CS..THydrogen-bonded Turntrans-65.4-16.4-174.200000114.4L255 R263A244-L255 HydrophobicContact CB-CD1 4.11Å; A244-L255 HydrophobicContact CB-CD2 3.85Å; A244-R263 PolarHBondContact O-NH1 2.92Å
245E83.4Confident88Confident157 Ų15772.7 Ų72.773%0.73440%0.396SS*.THydrogen-bonded Turntrans-86.1-23.7177.1-66.366.6-141.600112.6P243P243-E245 PolarHBondContact O-N 3.39Å; P243-E245 VanDerWaalsContact O-N 3.08Å
246E87Confident88.1Confident144 Ų14471.2 Ų71.267%0.67339%0.388SS*.THydrogen-bonded Turntrans-99.2-13.6-177-64.8-178.5-17800112.8V242 P243V242-E246 HydrophobicContact CG1-CB 3.99Å; P243-E246 HydrophobicContact CB-CG 4.49Å; P243-E246 PolarHBondContact O-N 2.74Å
247L85.1Confident88.4Confident11 Ų1172.7 Ų72.76%0.05839%0.385CS..SBendtrans-66.7128177.5-80.1164.8000111.4T240 V242 P243 E251 L255T240-L247 HydrophobicContact CG2-CD1 3.61Å; T240-L247 HydrophobicContact CG2-CD2 4.01Å; T240-L247 HydrophobicContact CG2-CG 4.39Å; V242-L247 HydrophobicContact CB-CD2 3.8Å; V242-L247 HydrophobicContact CB-CG 3.99Å; V242-L247 HydrophobicContact CG1-CD2 3.99Å; V242-L247 HydrophobicContact CG1-CG 3.89Å; V242-L247 HydrophobicContact CG2-CD2 4.46Å; P243-L247 PolarHBondContact O-N 3.07Å; L247-E251 HydrophobicContact CD2-CB 4.3Å; L247-L255 HydrophobicContact CD1-CD1 4.33Å; L247-L255 HydrophobicContact CD1-CD2 3.5Å; L247-L255 HydrophobicContact CD1-CG 3.79Å
248P89.5Confident88.6Confident61 Ų6166.6 Ų66.640%0.39637%0.373SS..  trans-66.4153.1174.228.1-33.2000110.9S250 E251 M252P248-S250 PolarHBondContact O-N 2.85Å; P248-E251 HydrophobicContact CG-CB 4.09Å; P248-E251 HydrophobicContact CG-CG 4.03Å; P248-E251 PolarHBondContact O-N 3.46Å; P248-M252 PolarHBondContact O-N 2.64Å
249D85.1Confident88.8Confident96 Ų9669 Ų6951%0.51338%0.379SS..G310 helixtrans-53.1-34.1-177.3-74.610.8000113.3E251 M252D249-E251 VanDerWaalsContact C-N 3.28Å; D249-E251 PolarHBondContact O-N 2.86Å; D249-M252 HydrophobicContact CB-CE 3.9Å; D249-M252 WeakPolarHBondContact OD1-CE 3.22Å
250S87.6Confident89.1Confident88 Ų8865.8 Ų65.862%0.61535%0.352SS*.G310 helixtrans-67.7-23179.152.70000114.4P248 F253P248-S250 PolarHBondContact O-N 2.85Å; S250-F253 VanDerWaalsContact O-CD1 3.27Å; S250-F253 WeakPolarHBondContact O-CD1 3.29Å; S250-F253 WeakPolarHBondContact O-CE1 3.4Å
251E90.2Very high89.5Confident87 Ų8769 Ų6941%0.40737%0.365SS..G310 helixtrans-109.8-0.1-175.4-66-179.8-171.600112.7L247 P248 D249 F253 L254L247-E251 HydrophobicContact CD2-CB 4.3Å; P248-E251 HydrophobicContact CG-CB 4.09Å; P248-E251 HydrophobicContact CG-CG 4.03Å; P248-E251 PolarHBondContact O-N 3.46Å; D249-E251 VanDerWaalsContact C-N 3.28Å; D249-E251 PolarHBondContact O-N 2.86Å; E251-F253 PolarHBondContact O-N 3.48Å; E251-L254 HydrophobicContact CB-CD1 4.13Å; E251-L254 VanDerWaalsContact O-CB 3.28Å; E251-L254 WeakPolarHBondContact O-CB 3.33Å; E251-L254 WeakPolarHBondContact O-CG 3.42Å; E251-L254 PolarHBondContact O-N 3.4Å
252M90.4Very high89.9Confident3 Ų363.2 Ų63.22%0.01534%0.341CS..G310 helixtrans-55.3-26.6-179.6-87-158.8-88.900113.6S222 I223 A226 P248 D249 L254 L255 L260S222-M252 WeakPolarHBondContact OG-CE 3.25Å; I223-M252 HydrophobicContact CG1-SD 4.34Å; A226-M252 HydrophobicContact CB-CB 3.68Å; P248-M252 PolarHBondContact O-N 2.64Å; D249-M252 HydrophobicContact CB-CE 3.9Å; D249-M252 WeakPolarHBondContact OD1-CE 3.22Å; M252-L254 PolarHBondContact O-N 3.33Å; M252-L254 VanDerWaalsContact O-N 3.13Å; M252-L255 WeakPolarHBondContact O-CB 3.3Å; M252-L255 WeakPolarHBondContact O-CG 3.27Å; M252-L255 PolarHBondContact O-N 3.01Å; M252-L260 HydrophobicContact CB-CD2 4.38Å
253F92.8Very high90.2Very high52 Ų5262.8 Ų62.823%0.22833%0.333CS..G310 helixtrans-59.8-23176.769.7-96.7000113A226 I229 A230 I235 S250 E251 L255 G256A226-F253 HydrophobicContact CB-CB 4.3Å; A226-F253 WeakPolarHBondContact O-CB 3.23Å; I229-F253 HydrophobicContact CB-CB 3.86Å; I229-F253 HydrophobicContact CB-CG 4.23Å; I229-F253 HydrophobicContact CD1-CD1 4.49Å; I229-F253 HydrophobicContact CG2-CB 3.73Å; I229-F253 HydrophobicContact CG2-CD1 3.94Å; I229-F253 HydrophobicContact CG2-CD2 3.86Å; I229-F253 HydrophobicContact CG2-CE2 4.47Å; I229-F253 HydrophobicContact CG2-CG 3.57Å; A230-F253 HydrophobicContact CB-CB 4.41Å; I235-F253 HydrophobicContact CD1-CD2 3.56Å; I235-F253 HydrophobicContact CD1-CE2 3.99Å; S250-F253 VanDerWaalsContact O-CD1 3.27Å; S250-F253 WeakPolarHBondContact O-CD1 3.29Å; S250-F253 WeakPolarHBondContact O-CE1 3.4Å; E251-F253 PolarHBondContact O-N 3.48Å; F253-L255 PolarHBondContact O-N 3.48Å; F253-G256 PolarHBondContact O-N 2.88Å
254L93.5Very high90.6Very high39 Ų3960.7 Ų60.720%0.20432%0.318CS..G310 helixtrans-66.3-20176-63.2176.7000112.9S238 A239 T240 E251 M252 G256S238-L254 CarbonylContact C-O 3.53Å; S238-L254 WeakPolarHBondContact CA-O 3.3Å; A239-L254 HydrophobicContact CB-CB 4.47Å; A239-L254 HydrophobicContact CB-CD2 4.06Å; A239-L254 PolarHBondContact N-O 3.19Å; T240-L254 HydrophobicContact CG2-CB 3.88Å; E251-L254 HydrophobicContact CB-CD1 4.13Å; E251-L254 VanDerWaalsContact O-CB 3.28Å; E251-L254 WeakPolarHBondContact O-CB 3.33Å; E251-L254 WeakPolarHBondContact O-CG 3.42Å; E251-L254 PolarHBondContact O-N 3.4Å; M252-L254 PolarHBondContact O-N 3.33Å; M252-L254 VanDerWaalsContact O-N 3.13Å; L254-G256 PolarHBondContact O-N 3.45Å
255L92.1Very high91.2Very high11 Ų1164.7 Ų64.76%0.05833%0.333CS..G310 helixtrans-65.2-22.4175-67.8174000112.7A244 L247 M252 F253 M259 L260A244-L255 HydrophobicContact CB-CD1 4.11Å; A244-L255 HydrophobicContact CB-CD2 3.85Å; L247-L255 HydrophobicContact CD1-CD1 4.33Å; L247-L255 HydrophobicContact CD1-CD2 3.5Å; L247-L255 HydrophobicContact CD1-CG 3.79Å; M252-L255 WeakPolarHBondContact O-CB 3.3Å; M252-L255 WeakPolarHBondContact O-CG 3.27Å; M252-L255 PolarHBondContact O-N 3.01Å; F253-L255 PolarHBondContact O-N 3.48Å; L255-M259 HydrophobicContact CB-CB 4.3Å; L255-L260 HydrophobicContact CB-CD2 4.45Å; L255-L260 HydrophobicContact CB-CG 4.25Å; L255-L260 HydrophobicContact CD1-CD2 4.32Å
256G94.1Very high91.8Very high0 Ų062.1 Ų62.10%033%0.325CS..  trans80.6162.6-179.200000114.4I235 F253 L254 M259 L260I235-G256 VanDerWaalsContact O-CA 3.24Å; I235-G256 WeakPolarHBondContact O-CA 3.4Å; F253-G256 PolarHBondContact O-N 2.88Å; L254-G256 PolarHBondContact O-N 3.45Å; G256-M259 PolarHBondContact O-N 2.73Å; G256-L260 WeakPolarHBondContact O-CG 3.44Å; G256-L260 PolarHBondContact O-N 3.43Å; G256-L260 VanDerWaalsContact O-N 3.16Å
257R94.4Very high92.1Very high88 Ų8856.2 Ų56.233%0.33230%0.298SS..Hα-helixtrans-54-50.5-170.5-64.9-178-71.4-177.3-1.4115.1L227 A230 E231 I235 S236 M259 L260 Q261L227-R257 HydrophobicContact CD1-CB 4.16Å; L227-R257 HydrophobicContact CD1-CG 4.25Å; A230-R257 HydrophobicContact CB-CG 4.06Å; E231-R257 HydrophobicContact CG-CG 4.02Å; I235-R257 PolarHBondContact O-N 2.65Å; S236-R257 PolarHBondContact OG-NH2 3.36Å; R257-M259 PolarHBondContact O-N 2.85Å; R257-L260 PolarHBondContact O-N 2.82Å; R257-Q261 WeakPolarHBondContact O-CB 3.44Å; R257-Q261 PolarHBondContact O-N 3.23Å
258P94Very high92.6Very high82 Ų8260.6 Ų60.653%0.53232%0.318SS..Hα-helixtrans-63.2-40.7-173-22.334.5000112.9S236 A262S236-P258 WeakPolarHBondContact O-CD 3.16Å; P258-A262 WeakPolarHBondContact O-CB 3.48Å; P258-A262 PolarHBondContact O-N 3.27Å
259M91.7Very high92.9Very high115 Ų11561.9 Ų61.957%0.56733%0.334SS*.Hα-helixtrans-68.9-42.9178.7-73.5-71-86.300111.4L255 G256 R257 A262 R263L255-M259 HydrophobicContact CB-CB 4.3Å; G256-M259 PolarHBondContact O-N 2.73Å; R257-M259 PolarHBondContact O-N 2.85Å; M259-A262 PolarHBondContact O-N 3.42Å; M259-R263 VanDerWaalsContact O-CB 3.3Å; M259-R263 WeakPolarHBondContact O-CB 3.29Å; M259-R263 PolarHBondContact O-N 3.11Å
260L94.6Very high93.3Very high0 Ų062.2 Ų62.20%034%0.339CS..Hα-helixtrans-64.2-42176.9-71.2166.4000111.7I223 A226 L227 A230 M252 L255 G256 R257 R263 L264I223-L260 HydrophobicContact CG2-CD2 4.43Å; A226-L260 HydrophobicContact CB-CD1 4.13Å; A226-L260 HydrophobicContact CB-CD2 3.92Å; L227-L260 HydrophobicContact CB-CB 4.28Å; L227-L260 HydrophobicContact CD1-CB 3.9Å; A230-L260 HydrophobicContact CB-CD1 3.92Å; M252-L260 HydrophobicContact CB-CD2 4.38Å; L255-L260 HydrophobicContact CB-CD2 4.45Å; L255-L260 HydrophobicContact CB-CG 4.25Å; L255-L260 HydrophobicContact CD1-CD2 4.32Å; G256-L260 WeakPolarHBondContact O-CG 3.44Å; G256-L260 PolarHBondContact O-N 3.43Å; G256-L260 VanDerWaalsContact O-N 3.16Å; R257-L260 PolarHBondContact O-N 2.82Å; L260-R263 PolarHBondContact O-N 2.99Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 PolarHBondContact O-N 2.9Å
261Q94.9Very high93.6Very high95 Ų9558.6 Ų58.644%0.44432%0.316SS..Hα-helixtrans-65-46.4176.5-173.9174.5-11.900111.6R257 R263 L264 E265R257-Q261 WeakPolarHBondContact O-CB 3.44Å; R257-Q261 PolarHBondContact O-N 3.23Å; Q261-R263 VanDerWaalsContact C-N 3.28Å; Q261-R263 PolarHBondContact O-N 3.42Å; Q261-L264 WeakPolarHBondContact O-CB 3.46Å; Q261-L264 PolarHBondContact O-N 3.19Å; Q261-E265 HydrophobicContact CG-CG 4.49Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.41Å; Q261-E265 PolarHBondContact NE2-OE1 2.96Å; Q261-E265 WeakPolarHBondContact O-CB 3.49Å; Q261-E265 WeakPolarHBondContact O-CG 3.4Å; Q261-E265 PolarHBondContact O-N 2.89Å
262A94.1Very high93.9Very high52 Ų5256.5 Ų56.543%0.4331%0.309SS..Hα-helixtrans-60.8-38.1175.400000112.1P258 M259 N266P258-A262 WeakPolarHBondContact O-CB 3.48Å; P258-A262 PolarHBondContact O-N 3.27Å; M259-A262 PolarHBondContact O-N 3.42Å; A262-N266 VanDerWaalsContact O-CB 3.25Å; A262-N266 WeakPolarHBondContact O-CB 3.26Å; A262-N266 PolarHBondContact O-N 2.92Å
263R92.6Very high93.9Very high52 Ų5260.2 Ų60.220%0.19634%0.341CS..Hα-helixtrans-69.5-37176.5-166.7171.7169.1149.1-15.1111.8I223 A244 M259 L260 Q261 L267I223-R263 HydrophobicContact CD1-CG 3.85Å; A244-R263 PolarHBondContact O-NH1 2.92Å; M259-R263 VanDerWaalsContact O-CB 3.3Å; M259-R263 WeakPolarHBondContact O-CB 3.29Å; M259-R263 PolarHBondContact O-N 3.11Å; L260-R263 PolarHBondContact O-N 2.99Å; Q261-R263 VanDerWaalsContact C-N 3.28Å; Q261-R263 PolarHBondContact O-N 3.42Å; R263-L267 WeakPolarHBondContact O-CB 3.31Å; R263-L267 PolarHBondContact O-N 2.9Å
264L94.1Very high94Very high22 Ų2261.9 Ų61.912%0.11535%0.348CS..Hα-helixtrans-63.9-51.4174.2-174.167.4000110.8M220 I223 E224 L227 L260 Q261 N266 L267 Q268M220-L264 HydrophobicContact SD-CD1 3.23Å; M220-L264 WeakPolarHBondContact SD-CD1 3.4Å; M220-L264 HydrophobicContact SD-CG 4.41Å; I223-L264 HydrophobicContact CB-CD1 4.43Å; I223-L264 HydrophobicContact CG2-CB 3.86Å; I223-L264 HydrophobicContact CG2-CD1 4.02Å; E224-L264 HydrophobicContact CG-CD1 3.9Å; E224-L264 HydrophobicContact CG-CD2 4.42Å; L227-L264 HydrophobicContact CD2-CD2 4.22Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 PolarHBondContact O-N 2.9Å; Q261-L264 WeakPolarHBondContact O-CB 3.46Å; Q261-L264 PolarHBondContact O-N 3.19Å; L264-N266 VanDerWaalsContact C-N 3.35Å; L264-N266 PolarHBondContact O-N 3.09Å; L264-L267 PolarHBondContact O-N 2.65Å; L264-Q268 WeakPolarHBondContact O-CB 3.48Å; L264-Q268 VanDerWaalsContact O-CG 3.3Å; L264-Q268 WeakPolarHBondContact O-CG 3.24Å; L264-Q268 PolarHBondContact O-N 3.29Å
265E95.2Very high94Very high104 Ų10464.2 Ų64.249%0.48636%0.361SS..Hα-helixtrans-59.2-45.2178.3-72.2172.5-169.200111.2Q261 Q268 A269Q261-E265 HydrophobicContact CG-CG 4.49Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.41Å; Q261-E265 PolarHBondContact NE2-OE1 2.96Å; Q261-E265 WeakPolarHBondContact O-CB 3.49Å; Q261-E265 WeakPolarHBondContact O-CG 3.4Å; Q261-E265 PolarHBondContact O-N 2.89Å; E265-Q268 PolarHBondContact O-N 3.32Å; E265-A269 WeakPolarHBondContact O-CB 3.5Å; E265-A269 PolarHBondContact O-N 3.47Å
266N94.2Very high94.1Very high103 Ų10369.2 Ų69.255%0.55139%0.387SS*.Hα-helixtrans-64.7-43176.3-176.256.7000112.2A262 L264 Q268 A269 V270A262-N266 VanDerWaalsContact O-CB 3.25Å; A262-N266 WeakPolarHBondContact O-CB 3.26Å; A262-N266 PolarHBondContact O-N 2.92Å; L264-N266 VanDerWaalsContact C-N 3.35Å; L264-N266 PolarHBondContact O-N 3.09Å; N266-Q268 VanDerWaalsContact C-N 3.34Å; N266-Q268 PolarHBondContact O-N 3.39Å; N266-A269 PolarHBondContact O-N 2.67Å; N266-V270 WeakPolarHBondContact O-CG2 3.38Å; N266-V270 PolarHBondContact O-N 2.91Å
267L93.9Very high94.1Very high20 Ų2073.7 Ų73.711%0.10541%0.411CS..Hα-helixtrans-61.3-45.5177.1-177.562.4000110.6Y216 R219 M220 I223 R263 L264 A269 V270 G271Y216-L267 HydrophobicContact CD2-CD1 3.72Å; Y216-L267 HydrophobicContact CD2-CG 4.05Å; Y216-L267 HydrophobicContact CE2-CD1 3.78Å; Y216-L267 HydrophobicContact CE2-CD2 4.47Å; Y216-L267 HydrophobicContact CE2-CG 3.69Å; Y216-L267 WeakPolarHBondContact CE2-O 3.46Å; R219-L267 HydrophobicContact CB-CD2 4.07Å; R219-L267 HydrophobicContact CG-CD2 3.94Å; M220-L267 HydrophobicContact CB-CD2 4.41Å; M220-L267 HydrophobicContact CE-CB 4.45Å; M220-L267 HydrophobicContact CE-CD2 3.91Å; M220-L267 HydrophobicContact CE-CG 3.89Å; M220-L267 HydrophobicContact SD-CD2 4.36Å; I223-L267 HydrophobicContact CD1-CD2 3.79Å; R263-L267 WeakPolarHBondContact O-CB 3.31Å; R263-L267 PolarHBondContact O-N 2.9Å; L264-L267 PolarHBondContact O-N 2.65Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.29Å; L267-V270 PolarHBondContact O-N 3.45Å; L267-G271 PolarHBondContact O-N 3.37Å
268Q95.3Very high94.1Very high103 Ų10370.4 Ų70.448%0.48140%0.399SS..Hα-helixtrans-62.2-38.7176.6-72.5177.6-19.500112.6M220 L264 E265 N266M220-Q268 HydrophobicContact CE-CB 4.45Å; M220-Q268 HydrophobicContact CE-CG 3.45Å; M220-Q268 VanDerWaalsContact CE-CG 3.45Å; M220-Q268 HydrophobicContact SD-CG 3.86Å; L264-Q268 WeakPolarHBondContact O-CB 3.48Å; L264-Q268 VanDerWaalsContact O-CG 3.3Å; L264-Q268 WeakPolarHBondContact O-CG 3.24Å; L264-Q268 PolarHBondContact O-N 3.29Å; E265-Q268 PolarHBondContact O-N 3.32Å; N266-Q268 VanDerWaalsContact C-N 3.34Å; N266-Q268 PolarHBondContact O-N 3.39Å
269A95.9Very high94.2Very high88 Ų8870.7 Ų70.773%0.72740%0.396SS*.Hα-helixtrans-70.1-39.6179.500000113E265 N266 L267E265-A269 WeakPolarHBondContact O-CB 3.5Å; E265-A269 PolarHBondContact O-N 3.47Å; N266-A269 PolarHBondContact O-N 2.67Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.29Å
270V94Very high94.4Very high102 Ų10270 Ų7062%0.61839%0.391SS*.Hα-helixtrans-82.1-36.3-178.1175.10000111.9N266 L267N266-V270 WeakPolarHBondContact O-CG2 3.38Å; N266-V270 PolarHBondContact O-N 2.91Å; L267-V270 PolarHBondContact O-N 3.45Å
271G94.2Very high94.4Very high13 Ų1371.1 Ų71.113%0.13440%0.397CS..  trans77.6-161.6-175.400000113.6Y216 L267 A273Y216-G271 WeakPolarHBondContact CD2-O 3.31Å; Y216-G271 VanDerWaalsContact CE2-C 3.45Å; L267-G271 PolarHBondContact O-N 3.37Å; G271-A273 PolarHBondContact O-N 2.92Å
272P95.1Very high94.5Very high42 Ų4272.7 Ų72.727%0.27340%0.399SS..SBendtrans-59133177.2-23.133.4000112.4A212 Y216 F274A212-P272 HydrophobicContact CB-CB 4.1Å; Y216-P272 HydrophobicContact CD1-CG 4.17Å; Y216-P272 HydrophobicContact CD2-CG 4.29Å; Y216-P272 HydrophobicContact CG-CB 4.34Å; Y216-P272 HydrophobicContact CG-CG 3.87Å; P272-F274 HydrophobicContact CB-CE2 4.2Å; P272-F274 HydrophobicContact CB-CZ 4.21Å; P272-F274 WeakPolarHBondContact O-CD2 3.37Å; P272-F274 WeakPolarHBondContact O-CE2 3.35Å
273A92.2Very high94.6Very high82 Ų8272.9 Ų72.968%0.67840%0.4SS*.  trans-84.2137.9175.100000110.6G271G271-A273 PolarHBondContact O-N 2.92Å
274F94.7Very high94.7Very high86 Ų8672.1 Ų72.138%0.37740%0.4SS..  trans-117.5149.8178.5-63.4-81.8000110.8E209 A212 P272 Y278E209-F274 HydrophobicContact CG-CE1 4.05Å; E209-F274 HydrophobicContact CG-CZ 4.47Å; A212-F274 HydrophobicContact CB-CD1 3.84Å; A212-F274 HydrophobicContact CB-CE1 3.55Å; A212-F274 HydrophobicContact CB-CZ 4.13Å; P272-F274 HydrophobicContact CB-CE2 4.2Å; P272-F274 HydrophobicContact CB-CZ 4.21Å; P272-F274 WeakPolarHBondContact O-CD2 3.37Å; P272-F274 WeakPolarHBondContact O-CE2 3.35Å; F274-Y278 HydrophobicContact CB-CD1 3.5Å; F274-Y278 VanDerWaalsContact CB-CD1 3.5Å; F274-Y278 HydrophobicContact CB-CE1 4.16Å; F274-Y278 HydrophobicContact CB-CG 3.98Å; F274-Y278 AromaticContact CD1-CD1 3.48Å; F274-Y278 HydrophobicContact CD1-CD1 3.48Å; F274-Y278 VanDerWaalsContact CD1-CD1 3.48Å; F274-Y278 AromaticContact CD1-CD2 3.82Å; F274-Y278 HydrophobicContact CD1-CD2 3.82Å; F274-Y278 AromaticContact CD1-CE1 3.67Å; F274-Y278 HydrophobicContact CD1-CE1 3.67Å; F274-Y278 AromaticContact CD1-CE2 4Å; F274-Y278 HydrophobicContact CD1-CE2 4Å; F274-Y278 AromaticContact CD1-CG 3.54Å; F274-Y278 HydrophobicContact CD1-CG 3.54Å; F274-Y278 AromaticContact CD1-CZ 3.92Å; F274-Y278 HydrophobicContact CD2-CD1 4.38Å; F274-Y278 HydrophobicContact CD2-CE1 4.21Å; F274-Y278 HydrophobicContact CE1-CD1 4.28Å; F274-Y278 HydrophobicContact CE1-CD2 4.2Å; F274-Y278 HydrophobicContact CE1-CE1 4.05Å; F274-Y278 AromaticContact CE1-CE2 3.97Å; F274-Y278 HydrophobicContact CE1-CE2 3.97Å; F274-Y278 HydrophobicContact CE1-CG 4.34Å; F274-Y278 AromaticContact CE1-CZ 3.88Å; F274-Y278 AromaticContact CG-CD1 3.53Å; F274-Y278 HydrophobicContact CG-CD1 3.53Å; F274-Y278 AromaticContact CG-CE1 3.75Å; F274-Y278 HydrophobicContact CG-CE1 3.75Å; F274-Y278 HydrophobicContact CG-CG 4.02Å; F274-Y278 HydrophobicContact CZ-CE1 4.49Å
275D93.1Very high94.8Very high88 Ų8872 Ų7247%0.47140%0.399SS..  trans-89.4170.5174.859.817.9000111.9D277 Y278 D279D275-D277 PolarHBondContact O-N 2.91Å; D275-D277 PolarHBondContact OD1-N 3.47Å; D275-Y278 WeakPolarHBondContact O-CB 3.49Å; D275-Y278 PolarHBondContact O-N 3.34Å; D275-Y278 WeakPolarHBondContact OD1-CB 3.39Å; D275-Y278 PolarHBondContact OD1-N 3.05Å; D275-D279 PolarHBondContact O-N 3.49Å
276L93.6Very high94.9Very high117 Ų11771.2 Ų71.261%0.61340%0.398SS*.Hα-helixtrans-60.1-33.8177.817961.5000112D279 Q280L276-D279 PolarHBondContact O-N 2.94Å; L276-Q280 HydrophobicContact CD1-CG 4.32Å; L276-Q280 HydrophobicContact CG-CG 4.33Å; L276-Q280 VanDerWaalsContact O-CG 3.31Å; L276-Q280 WeakPolarHBondContact O-CG 3.46Å; L276-Q280 PolarHBondContact O-N 3.44Å
277D93.4Very high95Very high93 Ų9369.7 Ų69.750%0.49739%0.392SS..Hα-helixtrans-65.8-39-179.6-73.2-4.9000111.2D275 Q280 N281D275-D277 PolarHBondContact O-N 2.91Å; D275-D277 PolarHBondContact OD1-N 3.47Å; D277-Q280 PolarHBondContact O-N 3.48Å; D277-N281 VanDerWaalsContact O-CB 3.27Å; D277-N281 WeakPolarHBondContact O-CB 3.49Å; D277-N281 PolarHBondContact O-N 3.41Å; D277-N281 PolarHBondContact O-ND2 3.3Å; D277-N281 VanDerWaalsContact O-ND2 3.1Å
278Y95.9Very high95.1Very high19 Ų1968.8 Ų68.88%0.07539%0.388CS..Hα-helixtrans-57.4-50171.5169.9-99.2000111.8V205 Q208 E209 F274 D275 Q280 N281 R282V205-Y278 HydrophobicContact CG1-CD2 4.26Å; V205-Y278 HydrophobicContact CG1-CE2 3.62Å; Q208-Y278 HydrophobicContact CB-CD2 3.87Å; E209-Y278 HydrophobicContact CG-CD2 4.49Å; E209-Y278 HydrophobicContact CG-CE2 3.53Å; E209-Y278 PolarHBondContact OE1-OH 3.24Å; F274-Y278 HydrophobicContact CB-CD1 3.5Å; F274-Y278 VanDerWaalsContact CB-CD1 3.5Å; F274-Y278 HydrophobicContact CB-CE1 4.16Å; F274-Y278 HydrophobicContact CB-CG 3.98Å; F274-Y278 AromaticContact CD1-CD1 3.48Å; F274-Y278 HydrophobicContact CD1-CD1 3.48Å; F274-Y278 VanDerWaalsContact CD1-CD1 3.48Å; F274-Y278 AromaticContact CD1-CD2 3.82Å; F274-Y278 HydrophobicContact CD1-CD2 3.82Å; F274-Y278 AromaticContact CD1-CE1 3.67Å; F274-Y278 HydrophobicContact CD1-CE1 3.67Å; F274-Y278 AromaticContact CD1-CE2 4Å; F274-Y278 HydrophobicContact CD1-CE2 4Å; F274-Y278 AromaticContact CD1-CG 3.54Å; F274-Y278 HydrophobicContact CD1-CG 3.54Å; F274-Y278 AromaticContact CD1-CZ 3.92Å; F274-Y278 HydrophobicContact CD2-CD1 4.38Å; F274-Y278 HydrophobicContact CD2-CE1 4.21Å; F274-Y278 HydrophobicContact CE1-CD1 4.28Å; F274-Y278 HydrophobicContact CE1-CD2 4.2Å; F274-Y278 HydrophobicContact CE1-CE1 4.05Å; F274-Y278 AromaticContact CE1-CE2 3.97Å; F274-Y278 HydrophobicContact CE1-CE2 3.97Å; F274-Y278 HydrophobicContact CE1-CG 4.34Å; F274-Y278 AromaticContact CE1-CZ 3.88Å; F274-Y278 AromaticContact CG-CD1 3.53Å; F274-Y278 HydrophobicContact CG-CD1 3.53Å; F274-Y278 AromaticContact CG-CE1 3.75Å; F274-Y278 HydrophobicContact CG-CE1 3.75Å; F274-Y278 HydrophobicContact CG-CG 4.02Å; F274-Y278 HydrophobicContact CZ-CE1 4.49Å; D275-Y278 WeakPolarHBondContact O-CB 3.49Å; D275-Y278 PolarHBondContact O-N 3.34Å; D275-Y278 WeakPolarHBondContact OD1-CB 3.39Å; D275-Y278 PolarHBondContact OD1-N 3.05Å; Y278-Q280 VanDerWaalsContact C-N 3.34Å; Y278-Q280 PolarHBondContact O-N 3.11Å; Y278-N281 PolarHBondContact O-N 3.28Å; Y278-R282 WeakPolarHBondContact O-CB 3.19Å; Y278-R282 PolarHBondContact O-N 2.82Å
279D96.1Very high95.1Very high89 Ų8968.4 Ų68.448%0.47639%0.389SS..Hα-helixtrans-64.2-40.3-178.6-74.2-29.4000111.8D275 L276 R282 A283D275-D279 PolarHBondContact O-N 3.49Å; L276-D279 PolarHBondContact O-N 2.94Å; D279-R282 PolarHBondContact O-N 3.31Å; D279-A283 WeakPolarHBondContact O-CB 3.43Å; D279-A283 PolarHBondContact O-N 3.12Å
280Q94.8Very high95.1Very high99 Ų9970 Ų7046%0.46339%0.39SS..Hα-helixtrans-63.3-44.5173.9-72.1-178.613.900112L276 D277 Y278 R282 A283 M284L276-Q280 HydrophobicContact CD1-CG 4.32Å; L276-Q280 HydrophobicContact CG-CG 4.33Å; L276-Q280 VanDerWaalsContact O-CG 3.31Å; L276-Q280 WeakPolarHBondContact O-CG 3.46Å; L276-Q280 PolarHBondContact O-N 3.44Å; D277-Q280 PolarHBondContact O-N 3.48Å; Y278-Q280 VanDerWaalsContact C-N 3.34Å; Y278-Q280 PolarHBondContact O-N 3.11Å; Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.03Å; Q280-A283 PolarHBondContact O-N 3.17Å; Q280-M284 WeakPolarHBondContact O-CB 3.1Å; Q280-M284 PolarHBondContact O-N 2.68Å
281N95.4Very high95.1Very high25 Ų2566.1 Ų66.113%0.13437%0.37CS..Hα-helixtrans-64.6-38.2177.6-72-24.8000111.4M201 Q204 V205 Q208 D277 Y278 M284 L285M201-N281 HydrophobicContact SD-CB 3.68Å; Q204-N281 PolarHBondContact NE2-ND2 3Å; V205-N281 HydrophobicContact CG2-CB 3.79Å; Q208-N281 PolarHBondContact OE1-ND2 2.83Å; D277-N281 VanDerWaalsContact O-CB 3.27Å; D277-N281 WeakPolarHBondContact O-CB 3.49Å; D277-N281 PolarHBondContact O-N 3.41Å; D277-N281 PolarHBondContact O-ND2 3.3Å; D277-N281 VanDerWaalsContact O-ND2 3.1Å; Y278-N281 PolarHBondContact O-N 3.28Å; N281-M284 PolarHBondContact O-N 2.98Å; N281-L285 VanDerWaalsContact O-CB 3.29Å; N281-L285 WeakPolarHBondContact O-CB 3.12Å; N281-L285 PolarHBondContact O-N 3.11Å
282R96.8Very high95.2Very high128 Ų12867 Ų6748%0.48337%0.374SS..Hα-helixtrans-67.3-41.8176.1-172.5166.3-178.5-92-1.4111.9Y278 D279 Q280 L285 N286Y278-R282 WeakPolarHBondContact O-CB 3.19Å; Y278-R282 PolarHBondContact O-N 2.82Å; D279-R282 PolarHBondContact O-N 3.31Å; Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.03Å; R282-L285 PolarHBondContact O-N 2.83Å; R282-N286 VanDerWaalsContact O-CG 3.31Å; R282-N286 PolarHBondContact O-N 3.05Å; R282-N286 PolarHBondContact O-ND2 2.95Å
283A96.5Very high95.1Very high55 Ų5569.9 Ų69.946%0.45539%0.39SS..Hα-helixtrans-62.5-44.7172.900000111.5D279 Q280 L285 N286 T287D279-A283 WeakPolarHBondContact O-CB 3.43Å; D279-A283 PolarHBondContact O-N 3.12Å; Q280-A283 PolarHBondContact O-N 3.17Å; A283-L285 VanDerWaalsContact C-N 3.34Å; A283-L285 PolarHBondContact O-N 3.33Å; A283-N286 WeakPolarHBondContact O-CB 3.23Å; A283-N286 PolarHBondContact O-N 3.38Å; A283-N286 VanDerWaalsContact O-N 3.17Å; A283-T287 PolarHBondContact O-N 2.82Å; A283-T287 VanDerWaalsContact O-N 3.17Å; A283-T287 PolarHBondContact O-OG1 3.45Å
284M94.7Very high95.2Very high37 Ų3769.5 Ų69.518%0.18238%0.377CS..Hα-helixtrans-62.3-40.7175.9-174.957.666.100112F74 L78 M201 Q280 N281 N286 T287 L288F74-M284 HydrophobicContact CE2-CE 4.11Å; F74-M284 HydrophobicContact CE2-SD 3.75Å; F74-M284 HydrophobicContact CZ-CE 4.39Å; F74-M284 HydrophobicContact CZ-SD 3.43Å; F74-M284 WeakPolarHBondContact CZ-SD 3.35Å; L78-M284 HydrophobicContact CD1-SD 4.15Å; L78-M284 HydrophobicContact CD2-CE 3.65Å; L78-M284 HydrophobicContact CD2-CG 4.18Å; L78-M284 HydrophobicContact CD2-SD 3.72Å; M201-M284 HydrophobicContact CE-CB 4.17Å; M201-M284 HydrophobicContact CE-CG 3.72Å; Q280-M284 WeakPolarHBondContact O-CB 3.1Å; Q280-M284 PolarHBondContact O-N 2.68Å; N281-M284 PolarHBondContact O-N 2.98Å; M284-N286 VanDerWaalsContact C-N 3.27Å; M284-N286 PolarHBondContact O-N 3.25Å; M284-T287 WeakPolarHBondContact O-CB 3.38Å; M284-T287 PolarHBondContact O-N 2.81Å; M284-T287 VanDerWaalsContact O-N 3.17Å; M284-L288 HydrophobicContact CG-CD1 4.14Å; M284-L288 HydrophobicContact CG-CG 4.5Å; M284-L288 WeakPolarHBondContact O-CG 3.5Å; M284-L288 PolarHBondContact O-N 3.28Å
285L96.8Very high95Very high18 Ų1868.2 Ų68.29%0.09437%0.374CS..Hα-helixtrans-60.7-38.5175.3-177.657.1000111.5T198 M201 K202 V205 N281 R282 A283 L288 N289T198-L285 HydrophobicContact CG2-CD1 4.14Å; M201-L285 HydrophobicContact CB-CD1 4.14Å; M201-L285 HydrophobicContact CG-CB 3.77Å; M201-L285 HydrophobicContact CG-CD1 4.05Å; M201-L285 HydrophobicContact CG-CG 4.41Å; K202-L285 HydrophobicContact CB-CD1 4.01Å; K202-L285 HydrophobicContact CB-CD2 4.26Å; K202-L285 HydrophobicContact CG-CD2 4.45Å; V205-L285 HydrophobicContact CB-CD2 4.35Å; V205-L285 HydrophobicContact CG2-CD2 4.11Å; N281-L285 VanDerWaalsContact O-CB 3.29Å; N281-L285 WeakPolarHBondContact O-CB 3.12Å; N281-L285 PolarHBondContact O-N 3.11Å; R282-L285 PolarHBondContact O-N 2.83Å; A283-L285 VanDerWaalsContact C-N 3.34Å; A283-L285 PolarHBondContact O-N 3.33Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-N289 WeakPolarHBondContact O-CB 3.38Å; L285-N289 PolarHBondContact O-N 3.12Å; L285-N289 PolarHBondContact O-ND2 3.46Å
286N96.9Very high94.8Very high89 Ų8967.3 Ų67.348%0.47637%0.373SS..Hα-helixtrans-62.7-43.1174.7-67-24.5000111.5R282 A283 M284 N289 V290R282-N286 VanDerWaalsContact O-CG 3.31Å; R282-N286 PolarHBondContact O-N 3.05Å; R282-N286 PolarHBondContact O-ND2 2.95Å; A283-N286 WeakPolarHBondContact O-CB 3.23Å; A283-N286 PolarHBondContact O-N 3.38Å; A283-N286 VanDerWaalsContact O-N 3.17Å; M284-N286 VanDerWaalsContact C-N 3.27Å; M284-N286 PolarHBondContact O-N 3.25Å; N286-N289 PolarHBondContact O-N 3.02Å; N286-V290 PolarHBondContact O-N 3.09Å
287T94.9Very high94.6Very high70 Ų7071.4 Ų71.443%0.42938%0.38SS..Hα-helixtrans-60.4-45.1173-56.30000111.5F74 A283 M284 N289 V290F74-T287 HydrophobicContact CE2-CG2 4.49Å; F74-T287 HydrophobicContact CZ-CG2 3.92Å; A283-T287 PolarHBondContact O-N 2.82Å; A283-T287 VanDerWaalsContact O-N 3.17Å; A283-T287 PolarHBondContact O-OG1 3.45Å; M284-T287 WeakPolarHBondContact O-CB 3.38Å; M284-T287 PolarHBondContact O-N 2.81Å; M284-T287 VanDerWaalsContact O-N 3.17Å; T287-N289 VanDerWaalsContact C-N 3.32Å; T287-N289 PolarHBondContact O-N 3.41Å; T287-V290 WeakPolarHBondContact O-CB 3.29Å; T287-V290 PolarHBondContact O-N 2.91Å
288L96.2Very high94.7Very high2 Ų267.4 Ų67.41%0.0136%0.358CS..Hα-helixtrans-66.6-31.3179.2-72.5171.3000112.9F74 L75 L78 W194 R197 T198 M201 M284 L285 V290 G291F74-L288 HydrophobicContact CE1-CD2 3.94Å; F74-L288 HydrophobicContact CZ-CD2 4.44Å; L75-L288 HydrophobicContact CD2-CD2 4.46Å; L78-L288 HydrophobicContact CD1-CD2 4.13Å; W194-L288 HydrophobicContact CD2-CD2 4.38Å; W194-L288 HydrophobicContact CZ2-CD2 4.2Å; W194-L288 PolarHBondContact NE1-O 3.3Å; R197-L288 HydrophobicContact CB-CD2 4.41Å; R197-L288 HydrophobicContact CG-CD1 3.95Å; R197-L288 HydrophobicContact CG-CD2 4.16Å; T198-L288 HydrophobicContact CG2-CB 4.34Å; T198-L288 PolarHBondContact OG1-O 3.06Å; M201-L288 HydrophobicContact CB-CD1 3.76Å; M201-L288 HydrophobicContact CG-CD1 4.03Å; M284-L288 HydrophobicContact CG-CD1 4.14Å; M284-L288 HydrophobicContact CG-CG 4.5Å; M284-L288 WeakPolarHBondContact O-CG 3.5Å; M284-L288 PolarHBondContact O-N 3.28Å; L285-L288 PolarHBondContact O-N 3.38Å; L288-V290 VanDerWaalsContact C-N 3.28Å; L288-V290 PolarHBondContact O-N 2.88Å; L288-G291 PolarHBondContact O-N 3.41Å
289N96.8Very high94.7Very high95 Ų9570.9 Ų70.951%0.50838%0.375SS..Hα-helixtrans-70.6-21.5176.9-76.1-30.7000113.5T198 L285 N286 T287 G291T198-N289 VanDerWaalsContact CG2-OD1 3.27Å; T198-N289 WeakPolarHBondContact CG2-OD1 3.43Å; L285-N289 WeakPolarHBondContact O-CB 3.38Å; L285-N289 PolarHBondContact O-N 3.12Å; L285-N289 PolarHBondContact O-ND2 3.46Å; N286-N289 PolarHBondContact O-N 3.02Å; T287-N289 VanDerWaalsContact C-N 3.32Å; T287-N289 PolarHBondContact O-N 3.41Å; N289-G291 PolarHBondContact O-N 3.12Å
290V95.5Very high94.8Very high122 Ų12266.7 Ų66.774%0.73935%0.352SS*.Hα-helixtrans-65.6-29.7172.7176.70000111N286 T287 L288N286-V290 PolarHBondContact O-N 3.09Å; T287-V290 WeakPolarHBondContact O-CB 3.29Å; T287-V290 PolarHBondContact O-N 2.91Å; L288-V290 VanDerWaalsContact C-N 3.28Å; L288-V290 PolarHBondContact O-N 2.88Å
291G94.5Very high94.9Very high20 Ų2062.7 Ų62.721%0.20633%0.333CS..  trans83170.4-176.700000113.2L288 N289L288-G291 PolarHBondContact O-N 3.41Å; N289-G291 PolarHBondContact O-N 3.12Å
292P95.6Very high95.1Very high32 Ų3265.8 Ų65.821%0.20834%0.343CS..  trans-75.9146.6176.731.5-32.3000111.2Q71 L190 W194 L294Q71-P292 VanDerWaalsContact OE1-CB 3.26Å; L190-P292 HydrophobicContact CD2-CB 4.22Å; L190-P292 HydrophobicContact CG-CB 4.2Å; W194-P292 HydrophobicContact CB-CG 4.2Å; W194-P292 HydrophobicContact CD2-CB 3.97Å; W194-P292 HydrophobicContact CD2-CG 4.25Å; W194-P292 HydrophobicContact CE3-CB 3.8Å; W194-P292 HydrophobicContact CG-CB 4.36Å; W194-P292 HydrophobicContact CG-CG 4.13Å; W194-P292 HydrophobicContact CZ3-CB 4.27Å; P292-L294 HydrophobicContact CB-CD2 3.98Å; P292-L294 HydrophobicContact CG-CD2 3.96Å
293T93.6Very high95.1Very high102 Ų10262.6 Ų62.663%0.62633%0.332SS*.  trans-90.995169.453.80000109.8Q71Q71-T293 PolarHBondContact NE2-O 3.17Å; Q71-T293 PolarHBondContact NE2-OG1 2.95Å; Q71-T293 PolarHBondContact OE1-O 3.49Å; Q71-T293 PolarHBondContact OE1-OG1 3.46Å
294L93Very high95.1Very high74 Ų7464.1 Ų64.139%0.38733%0.332SS..  trans-76.3127.2-176.1-53.4179.3000111.1N187 L190 P292N187-L294 HydrophobicContact CB-CD1 4.48Å; N187-L294 HydrophobicContact CB-CD2 4.04Å; L190-L294 HydrophobicContact CD2-CD2 4.1Å; P292-L294 HydrophobicContact CB-CD2 3.98Å; P292-L294 HydrophobicContact CG-CD2 3.96Å
295D90.6Very high95.2Very high59 Ų5968.6 Ų68.632%0.31635%0.346SS..  trans-107.5112.9168.7178.92.7000108.1N187 R297 F298N187-D295 PolarHBondContact ND2-O 2.84Å; D295-R297 PolarHBondContact O-N 3.35Å; D295-R297 PolarHBondContact OD1-N 3.08Å; D295-F298 HydrophobicContact CB-CD1 4.34Å; D295-F298 WeakPolarHBondContact O-CD1 3.5Å; D295-F298 WeakPolarHBondContact O-CE1 3.26Å
296P89.8Confident95.2Very high69 Ų6970.5 Ų70.545%0.44836%0.359SS..THydrogen-bonded Turntrans-75.5-10-179.927.1-29.4000113.1Q180Q180-P296 PolarHBondContact NE2-O 3.09Å; Q180-P296 PolarHBondContact OE1-O 3.38Å
297R89.5Confident95.1Very high203 Ų20366.3 Ų66.377%0.76634%0.336SS*.THydrogen-bonded Turntrans-110.23.8-164.1-56.2-17671.1172.31.7114.7D295D295-R297 PolarHBondContact O-N 3.35Å; D295-R297 PolarHBondContact OD1-N 3.08Å
298F96Very high95.2Very high8 Ų869.7 Ų69.74%0.03535%0.347CS..  trans-64.5150.6176.467.5-98.6000111.2M64 L65 Y68 A183 L186 D295 T300M64-F298 WeakPolarHBondContact O-CB 3.37Å; L65-F298 HydrophobicContact CD2-CD2 3.75Å; L65-F298 HydrophobicContact CD2-CE2 4.07Å; L65-F298 WeakPolarHBondContact O-CB 3.31Å; Y68-F298 AromaticContact CD1-CE2 3.98Å; Y68-F298 HydrophobicContact CD1-CE2 3.98Å; Y68-F298 AromaticContact CD1-CZ 3.99Å; Y68-F298 HydrophobicContact CD1-CZ 3.99Å; Y68-F298 AromaticContact CD2-CE1 3.88Å; Y68-F298 HydrophobicContact CD2-CE1 3.88Å; Y68-F298 HydrophobicContact CD2-CE2 4.47Å; Y68-F298 AromaticContact CD2-CZ 3.67Å; Y68-F298 HydrophobicContact CD2-CZ 3.67Å; Y68-F298 HydrophobicContact CE2-CZ 4.29Å; Y68-F298 HydrophobicContact CG-CD1 4.34Å; Y68-F298 AromaticContact CG-CE1 3.76Å; Y68-F298 HydrophobicContact CG-CE1 3.76Å; Y68-F298 AromaticContact CG-CE2 3.94Å; Y68-F298 HydrophobicContact CG-CE2 3.94Å; Y68-F298 AromaticContact CG-CZ 3.52Å; Y68-F298 HydrophobicContact CG-CZ 3.52Å; A183-F298 HydrophobicContact CB-CD1 4.33Å; A183-F298 HydrophobicContact CB-CD2 4.22Å; A183-F298 HydrophobicContact CB-CE1 3.96Å; A183-F298 HydrophobicContact CB-CE2 3.88Å; A183-F298 HydrophobicContact CB-CG 4.44Å; A183-F298 HydrophobicContact CB-CZ 3.73Å; L186-F298 HydrophobicContact CB-CZ 4.09Å; L186-F298 HydrophobicContact CD1-CE2 3.94Å; L186-F298 HydrophobicContact CD1-CZ 4.16Å; D295-F298 HydrophobicContact CB-CD1 4.34Å; D295-F298 WeakPolarHBondContact O-CD1 3.5Å; D295-F298 WeakPolarHBondContact O-CE1 3.26Å; F298-T300 HydrophobicContact CD2-CG2 3.96Å; F298-T300 HydrophobicContact CE2-CG2 3.56Å
299Q95.5Very high95.2Very high93 Ų9374.7 Ų74.744%0.43537%0.371SS..  trans-95.1123.8-176.5-68.8179.36.600110.3P60 M64 L65 Y301P60-Q299 WeakPolarHBondContact CB-O 3.42Å; M64-Q299 HydrophobicContact CB-CB 4.16Å; M64-Q299 PolarHBondContact O-N 2.83Å; L65-Q299 WeakPolarHBondContact CD2-O 3.26Å; Q299-Y301 VanDerWaalsContact C-N 3.28Å; Q299-Y301 PolarHBondContact O-N 3.45Å
300T97.7Very high95.1Very high0 Ų071.3 Ų71.30%035%0.354CS..SBendtrans-90.29.2-178.550.10000113.2P60 A96 F100 S179 A182 A183 L186 F298P60-T300 WeakPolarHBondContact CD-O 3.45Å; P60-T300 WeakPolarHBondContact CG-O 3.39Å; A96-T300 HydrophobicContact CB-CG2 4.36Å; F100-T300 WeakPolarHBondContact CB-OG1 3.2Å; S179-T300 WeakPolarHBondContact CA-OG1 3.31Å; S179-T300 PolarHBondContact OG-N 2.95Å; S179-T300 PolarHBondContact OG-OG1 2.78Å; S179-T300 VanDerWaalsContact OG-OG1 3.05Å; A182-T300 HydrophobicContact CB-CG2 4.01Å; A183-T300 HydrophobicContact CB-CG2 4.39Å; L186-T300 HydrophobicContact CD1-CG2 3.64Å; F298-T300 HydrophobicContact CD2-CG2 3.96Å; F298-T300 HydrophobicContact CE2-CG2 3.56Å
301Y97.9Very high94.9Very high16 Ų1672.4 Ų72.46%0.06336%0.36CS..  trans-152.7167-178.273.8-76.9000111.1T57 F100 V175 S179 Q299 Y303T57-Y301 HydrophobicContact CG2-CD2 3.94Å; F100-Y301 HydrophobicContact CD1-CG 4.44Å; F100-Y301 AromaticContact CD2-CD1 3.96Å; F100-Y301 HydrophobicContact CD2-CD1 3.96Å; F100-Y301 HydrophobicContact CD2-CG 4.26Å; F100-Y301 HydrophobicContact CE1-CG 4.04Å; F100-Y301 AromaticContact CE2-CD1 3.65Å; F100-Y301 HydrophobicContact CE2-CD1 3.65Å; F100-Y301 HydrophobicContact CE2-CE1 4.28Å; F100-Y301 AromaticContact CE2-CG 3.85Å; F100-Y301 HydrophobicContact CE2-CG 3.85Å; F100-Y301 HydrophobicContact CZ-CD1 4.02Å; F100-Y301 HydrophobicContact CZ-CD2 4.16Å; F100-Y301 AromaticContact CZ-CG 3.71Å; F100-Y301 HydrophobicContact CZ-CG 3.71Å; V175-Y301 HydrophobicContact CG1-CD2 4.09Å; V175-Y301 HydrophobicContact CG1-CE1 3.96Å; V175-Y301 HydrophobicContact CG1-CE2 3.47Å; V175-Y301 VanDerWaalsContact CG1-CE2 3.47Å; S179-Y301 VanDerWaalsContact CB-CE1 3.4Å; S179-Y301 WeakPolarHBondContact OG-CE1 3.48Å; Q299-Y301 VanDerWaalsContact C-N 3.28Å; Q299-Y301 PolarHBondContact O-N 3.45Å; Y301-Y303 HydrophobicContact CD2-CE1 4.5Å; Y301-Y303 HydrophobicContact CE2-CD1 4.05Å; Y301-Y303 AromaticContact CE2-CD2 3.93Å; Y301-Y303 HydrophobicContact CE2-CD2 3.93Å; Y301-Y303 AromaticContact CE2-CE1 3.73Å; Y301-Y303 HydrophobicContact CE2-CE1 3.73Å; Y301-Y303 AromaticContact CE2-CE2 3.6Å; Y301-Y303 HydrophobicContact CE2-CE2 3.6Å; Y301-Y303 HydrophobicContact CE2-CG 4.15Å; Y301-Y303 AromaticContact CE2-CZ 3.5Å; Y301-Y303 VanDerWaalsContact CE2-CZ 3.5Å; Y301-Y303 AromaticContact CZ-CZ 3.99Å; Y301-Y303 PolarHBondContact OH-OH 3.45Å
302R97.7Very high94.7Very high90 Ų9078.9 Ų78.934%0.3438%0.383SS..EExtended strand (participates in β ladder)trans-125.3152.7161.373.3-174.1172.9174.8-2.4110.3T57 D58 R59 M64T57-R302 VanDerWaalsContact CA-O 3.26Å; T57-R302 WeakPolarHBondContact CA-O 3.45Å; D58-R302 HydrophobicContact CB-CG 4.21Å; D58-R302 PolarHBondContact N-O 3.38Å; D58-R302 PolarHBondContact O-N 2.85Å; D58-R302 IonicContact OD2-CZ 2.65Å; D58-R302 IonicContact OD2-NE 2.72Å; D58-R302 PolarHBondContact OD2-NE 3.26Å; D58-R302 IonicContact OD2-NH2 3.33Å; D58-R302 PolarHBondContact OD2-NH2 3.39Å; R59-R302 WeakPolarHBondContact O-CD 3.36Å; R59-R302 WeakPolarHBondContact O-CG 3.5Å; R59-R302 PolarHBondContact O-NE 3.28Å; M64-R302 HydrophobicContact CE-CB 3.81Å; M64-R302 HydrophobicContact SD-CB 3.79Å
303Y97.6Very high94.4Very high61 Ų6179.7 Ų79.724%0.23938%0.382CS..EExtended strand (participates in β ladder)trans-81.1131168.9-71.8-62.4000110.8A55 T57 V175 Y301 T306 P307A55-Y303 HydrophobicContact CB-CD1 4.22Å; A55-Y303 HydrophobicContact CB-CE1 3.85Å; T57-Y303 HydrophobicContact CG2-CD1 4.19Å; T57-Y303 HydrophobicContact CG2-CE1 4.34Å; V175-Y303 WeakPolarHBondContact CB-OH 3.15Å; V175-Y303 HydrophobicContact CG1-CE1 3.94Å; V175-Y303 VanDerWaalsContact CG1-OH 3.24Å; V175-Y303 WeakPolarHBondContact CG1-OH 3.47Å; Y301-Y303 HydrophobicContact CD2-CE1 4.5Å; Y301-Y303 HydrophobicContact CE2-CD1 4.05Å; Y301-Y303 AromaticContact CE2-CD2 3.93Å; Y301-Y303 HydrophobicContact CE2-CD2 3.93Å; Y301-Y303 AromaticContact CE2-CE1 3.73Å; Y301-Y303 HydrophobicContact CE2-CE1 3.73Å; Y301-Y303 AromaticContact CE2-CE2 3.6Å; Y301-Y303 HydrophobicContact CE2-CE2 3.6Å; Y301-Y303 HydrophobicContact CE2-CG 4.15Å; Y301-Y303 AromaticContact CE2-CZ 3.5Å; Y301-Y303 VanDerWaalsContact CE2-CZ 3.5Å; Y301-Y303 AromaticContact CZ-CZ 3.99Å; Y301-Y303 PolarHBondContact OH-OH 3.45Å; Y303-T306 HydrophobicContact CD2-CG2 4.26Å; Y303-P307 HydrophobicContact CE1-CG 4.15Å
304L96.3Very high94.3Very high87 Ų8776.7 Ų76.746%0.45536%0.362SS..EExtended strand (participates in β ladder)trans-96.2-29.3159.1-60.3-172.8000111.1I56 D58 N154I56-L304 HydrophobicContact CB-CB 4.33Å; I56-L304 HydrophobicContact CG2-CB 4.02Å; I56-L304 HydrophobicContact CG2-CD1 4.38Å; I56-L304 PolarHBondContact O-N 2.98Å; D58-L304 HydrophobicContact CB-CD1 3.71Å; D58-L304 HydrophobicContact CB-CD2 4.17Å; D58-L304 HydrophobicContact CB-CG 3.8Å; N154-L304 HydrophobicContact CB-CD1 4.16Å; N154-L304 VanDerWaalsContact CG-CD1 3.46Å; N154-L304 VanDerWaalsContact ND2-CD1 3.28Å; N154-L304 WeakPolarHBondContact ND2-CD1 3.48Å
305R96.5Very high94.2Very high130 Ų13074.4 Ų74.449%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-131.5108.7165.8-178.5-178.4179.8-176.4-1.8108A55 I56A55-R305 WeakPolarHBondContact CA-O 3.41Å; I56-R305 HydrophobicContact CB-CB 3.66Å; I56-R305 HydrophobicContact CD1-CB 3.92Å; I56-R305 HydrophobicContact CG1-CB 3.75Å; I56-R305 PolarHBondContact N-O 2.88Å; I56-R305 PolarHBondContact O-N 3.25Å
306T96.5Very high94Very high59 Ų5972.1 Ų72.136%0.36234%0.341SS..  trans-69.4139.5173.5-51.80000108.9Y303 E308Y303-T306 HydrophobicContact CD2-CG2 4.26Å; T306-E308 PolarHBondContact O-N 2.82Å
307P96.5Very high94Very high0 Ų077.2 Ų77.20%035%0.351CS..  trans-53.7133.7172.2-28.936.1000111.8A55 N168 L171 R172 Y303A55-P307 HydrophobicContact CB-CG 3.85Å; N168-P307 VanDerWaalsContact OD1-C 3.25Å; N168-P307 WeakPolarHBondContact OD1-CB 3.35Å; N168-P307 PolarHBondContact OD1-O 3.17Å; N168-P307 VanDerWaalsContact OD1-O 3.14Å; L171-P307 HydrophobicContact CB-CB 4.47Å; L171-P307 HydrophobicContact CB-CG 4.5Å; L171-P307 HydrophobicContact CD2-CB 4.02Å; L171-P307 HydrophobicContact CD2-CG 3.89Å; L171-P307 HydrophobicContact CG-CB 4.26Å; L171-P307 HydrophobicContact CG-CG 3.89Å; R172-P307 HydrophobicContact CG-CB 3.75Å; R172-P307 HydrophobicContact CG-CG 3.83Å; R172-P307 VanDerWaalsContact CZ-O 3.27Å; R172-P307 PolarHBondContact NE-O 3.38Å; R172-P307 PolarHBondContact NH2-O 3.36Å; Y303-P307 HydrophobicContact CE1-CG 4.15Å
308E95.5Very high94.1Very high141 Ų14171.4 Ų71.466%0.65933%0.329SS*.  trans-128158.4174.3-71.6175.8-178.200109.2S53 T306 P310S53-E308 PolarHBondContact OG-N 3.02Å; S53-E308 PolarHBondContact OG-O 2.79Å; T306-E308 PolarHBondContact O-N 2.82Å; E308-P310 WeakPolarHBondContact O-CD 3.32Å
309E96Very high93.8Very high107 Ų10774 Ų7450%0.535%0.352SS..  trans-65.5125.4174.6-66.5-172.9-170.400110N168 V311N168-E309 HydrophobicContact CB-CG 3.8Å; N168-E309 WeakPolarHBondContact ND2-CG 3.46Å; E309-V311 PolarHBondContact O-N 3.34Å
310P94.8Very high93.6Very high24 Ų2475.6 Ų75.616%0.15636%0.358CS..  trans-66.7129.9178.223.9-31.7000111.4W51 S52 A164 A167 E308 K312W51-P310 HydrophobicContact CB-CG 4.07Å; W51-P310 HydrophobicContact CE3-CB 4.18Å; W51-P310 HydrophobicContact CE3-CG 3.91Å; W51-P310 WeakPolarHBondContact CZ3-O 3.41Å; S52-P310 VanDerWaalsContact O-CB 3.25Å; S52-P310 WeakPolarHBondContact O-CB 3.38Å; S52-P310 WeakPolarHBondContact O-CG 3.34Å; A164-P310 HydrophobicContact CB-CG 3.78Å; A164-P310 WeakPolarHBondContact CB-O 3.33Å; A164-P310 WeakPolarHBondContact O-CD 3.33Å; A167-P310 HydrophobicContact CB-CG 4.43Å; E308-P310 WeakPolarHBondContact O-CD 3.32Å; P310-K312 VanDerWaalsContact C-N 3.31Å
311V91.4Very high93.3Very high145 Ų14577.2 Ų77.288%0.87937%0.366SS*.SBendtrans-78.3-15.7176.7-62.20000113.6E309E309-V311 PolarHBondContact O-N 3.34Å
312K90.1Very high93.2Very high157 Ų15779.3 Ų79.368%0.68338%0.377SS*.SBendtrans-135.7143.7178.169.2-178.8-177.1-177.50110P310P310-K312 VanDerWaalsContact C-N 3.31Å
313R90.9Very high93Very high49 Ų4980.3 Ų80.319%0.18539%0.388CS..  trans-75.5150.7171.971.6-172.6-171.2-173.46.9111.6W51 P316W51-R313 HydrophobicContact CD2-CB 3.67Å; W51-R313 HydrophobicContact CE3-CB 3.92Å; W51-R313 HydrophobicContact CG-CB 4.26Å; W51-R313 HydrophobicContact CH2-CB 4.06Å; W51-R313 HydrophobicContact CZ2-CB 3.75Å; W51-R313 HydrophobicContact CZ3-CB 4.13Å; W51-R313 VanDerWaalsContact CZ3-N 3.32Å; R313-P316 PolarHBondContact NE-O 3.36Å; R313-P316 PolarHBondContact NH2-O 2.97Å
314D91.2Very high92.9Very high38 Ų3881.1 Ų81.120%0.20340%0.395CS..SBendtrans-78.7-41.8175.2-77.3-15.4000111.4E50 S52 K158 R317E50-D314 PolarHBondContact O-N 3.45Å; S52-D314 WeakPolarHBondContact CB-OD2 3.49Å; S52-D314 PolarHBondContact OG-OD2 3.23Å; K158-D314 IonicContact NZ-OD2 2.9Å; K158-D314 PolarHBondContact NZ-OD2 3.42Å; D314-R317 VanDerWaalsContact O-CG 3.29Å; D314-R317 WeakPolarHBondContact O-CG 3.22Å; D314-R317 PolarHBondContact O-NE 3.14Å
315S89.6Confident92.9Very high27 Ų2782.4 Ų82.419%0.18939%0.394CS..BIsolated β-bridgetrans-146.1155.9179.783.20000111.9E50E50-S315 VanDerWaalsContact CB-OG 3.27Å; E50-S315 WeakPolarHBondContact CB-OG 3.45Å; E50-S315 VanDerWaalsContact CG-OG 3.3Å; E50-S315 WeakPolarHBondContact CG-OG 3.48Å; E50-S315 PolarHBondContact N-O 2.98Å; E50-S315 VanDerWaalsContact N-O 3.09Å; E50-S315 PolarHBondContact O-N 3.38Å; E50-S315 WeakPolarHBondContact OE2-CB 3.46Å; E50-S315 PolarHBondContact OE2-OG 2.96Å
316P87.5Confident92.9Very high11 Ų1177 Ų777%0.07138%0.378CS..  cis-75138.1-928.8-33.4000112.3T44 A47 R313 R318 L321T44-P316 HydrophobicContact CG2-CB 4.14Å; T44-P316 HydrophobicContact CG2-CG 4.25Å; A47-P316 HydrophobicContact CB-CG 4.25Å; R313-P316 PolarHBondContact NE-O 3.36Å; R313-P316 PolarHBondContact NH2-O 2.97Å; P316-R318 VanDerWaalsContact C-N 3.34Å; P316-R318 PolarHBondContact O-N 3.47Å; P316-L321 HydrophobicContact CB-CD1 3.81Å
317R89.8Confident92.9Very high176 Ų17679 Ų7966%0.66439%0.386SS*.  trans-77.381.6176.6-63.5-176.8-175.8179.71.8110.4D314 A319 F320 L321D314-R317 VanDerWaalsContact O-CG 3.29Å; D314-R317 WeakPolarHBondContact O-CG 3.22Å; D314-R317 PolarHBondContact O-NE 3.14Å; R317-A319 PolarHBondContact O-N 3.09Å; R317-F320 HydrophobicContact CB-CB 3.9Å; R317-F320 WeakPolarHBondContact O-CB 3.33Å; R317-F320 PolarHBondContact O-N 3.36Å; R317-F320 VanDerWaalsContact O-N 3.11Å; R317-L321 PolarHBondContact O-N 3.02Å
318R90.4Very high92.9Very high80 Ų8081.8 Ų81.830%0.30240%0.403SS..Hα-helixtrans-46.2-54.8-174.2-88.8171.1-174164.410.9113.7L41 T44 P316 F320 L321 M322L41-R318 HydrophobicContact CD1-CG 4.18Å; T44-R318 HydrophobicContact CG2-CG 3.81Å; T44-R318 VanDerWaalsContact OG1-CG 3.23Å; T44-R318 WeakPolarHBondContact OG1-CG 3.48Å; T44-R318 PolarHBondContact OG1-NE 3.47Å; P316-R318 VanDerWaalsContact C-N 3.34Å; P316-R318 PolarHBondContact O-N 3.47Å; R318-F320 VanDerWaalsContact C-N 3.35Å; R318-F320 PolarHBondContact O-N 2.92Å; R318-L321 PolarHBondContact O-N 3.25Å; R318-M322 WeakPolarHBondContact O-CB 3.26Å; R318-M322 VanDerWaalsContact O-CG 3.31Å; R318-M322 WeakPolarHBondContact O-CG 3.31Å; R318-M322 PolarHBondContact O-N 2.87Å
319A90Very high92.9Very high62 Ų6275 Ų7551%0.51237%0.371SS..Hα-helixtrans-59.8-45.5-178.400000112.1R317 M322 I323R317-A319 PolarHBondContact O-N 3.09Å; A319-M322 PolarHBondContact O-N 3.44Å; A319-I323 WeakPolarHBondContact O-CD1 3.26Å; A319-I323 VanDerWaalsContact O-CG1 3.26Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.86Å
320F92.1Very high92.8Very high128 Ų12870.5 Ų70.556%0.56135%0.353SS*.Hα-helixtrans-62.5-46.9177.8178-99.3000112.1R317 R318 M322 I323 M324R317-F320 HydrophobicContact CB-CB 3.9Å; R317-F320 WeakPolarHBondContact O-CB 3.33Å; R317-F320 PolarHBondContact O-N 3.36Å; R317-F320 VanDerWaalsContact O-N 3.11Å; R318-F320 VanDerWaalsContact C-N 3.35Å; R318-F320 PolarHBondContact O-N 2.92Å; F320-M322 PolarHBondContact O-N 2.92Å; F320-I323 PolarHBondContact O-N 3.47Å; F320-M324 HydrophobicContact CE1-SD 4.23Å; F320-M324 HydrophobicContact CZ-SD 4.48Å; F320-M324 WeakPolarHBondContact O-CB 3.48Å; F320-M324 PolarHBondContact O-N 3.38Å
321L91.4Very high92.8Very high33 Ų3375.3 Ų75.317%0.17338%0.377CS..Hα-helixtrans-62.5-42.7177.6-75.7169.6000112.1T44 P316 R317 R318 M324 W325T44-L321 HydrophobicContact CG2-CD1 3.75Å; P316-L321 HydrophobicContact CB-CD1 3.81Å; R317-L321 PolarHBondContact O-N 3.02Å; R318-L321 PolarHBondContact O-N 3.25Å; L321-M324 HydrophobicContact CD2-CE 4.21Å; L321-M324 PolarHBondContact O-N 2.94Å; L321-W325 WeakPolarHBondContact O-CB 3.31Å; L321-W325 VanDerWaalsContact O-CD1 3.29Å; L321-W325 PolarHBondContact O-N 3.49Å
322M94.8Very high92.9Very high60 Ų6071.7 Ų71.730%0.29635%0.352SS..Hα-helixtrans-63-42.7176.6-72.9-171.4-60.200112.2A37 L41 R318 A319 F320 G326A37-M322 HydrophobicContact CB-CB 4.33Å; L41-M322 HydrophobicContact CB-CG 4.1Å; L41-M322 HydrophobicContact CB-SD 3.9Å; L41-M322 HydrophobicContact CD1-SD 3.89Å; L41-M322 HydrophobicContact CD2-SD 4.04Å; L41-M322 HydrophobicContact CG-SD 4.15Å; R318-M322 WeakPolarHBondContact O-CB 3.26Å; R318-M322 VanDerWaalsContact O-CG 3.31Å; R318-M322 WeakPolarHBondContact O-CG 3.31Å; R318-M322 PolarHBondContact O-N 2.87Å; A319-M322 PolarHBondContact O-N 3.44Å; F320-M322 PolarHBondContact O-N 2.92Å; M322-G326 WeakPolarHBondContact O-CA 3.49Å; M322-G326 PolarHBondContact O-N 3.34Å
323I94.7Very high93Very high111 Ų11164.3 Ų64.357%0.56932%0.32SS*.Hα-helixtrans-64.7-48.6177.6-69.2165000110.2A319 F320 G326 I327A319-I323 WeakPolarHBondContact O-CD1 3.26Å; A319-I323 VanDerWaalsContact O-CG1 3.26Å; A319-I323 WeakPolarHBondContact O-CG1 3.37Å; A319-I323 PolarHBondContact O-N 2.86Å; F320-I323 PolarHBondContact O-N 3.47Å; I323-G326 PolarHBondContact O-N 3.47Å; I323-I327 HydrophobicContact CG2-CD1 3.95Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.37Å; I323-I327 PolarHBondContact O-N 2.99Å
324M95.9Very high93Very high79 Ų7962.8 Ų62.839%0.38932%0.318SS..Hα-helixtrans-61-51.3-178.2-172.6-173.577.100111.6F320 L321 G326 I327 V328F320-M324 HydrophobicContact CE1-SD 4.23Å; F320-M324 HydrophobicContact CZ-SD 4.48Å; F320-M324 WeakPolarHBondContact O-CB 3.48Å; F320-M324 PolarHBondContact O-N 3.38Å; L321-M324 HydrophobicContact CD2-CE 4.21Å; L321-M324 PolarHBondContact O-N 2.94Å; M324-G326 VanDerWaalsContact C-N 3.32Å; M324-G326 PolarHBondContact O-N 3.49Å; M324-I327 PolarHBondContact O-N 2.94Å; M324-V328 WeakPolarHBondContact O-CG2 3.4Å; M324-V328 PolarHBondContact O-N 3.28Å; M324-V328 VanDerWaalsContact O-N 3.12Å
325W96Very high93Very high113 Ų11362.6 Ų62.643%0.42833%0.325SS..Hα-helixtrans-69.9-30.2178-78.2100.8000112.5F36 A40 L321 V328 G329F36-W325 HydrophobicContact CB-CB 4.48Å; F36-W325 WeakPolarHBondContact CB-O 3.42Å; F36-W325 AromaticContact CD1-CE3 3.87Å; F36-W325 HydrophobicContact CD1-CE3 3.87Å; F36-W325 HydrophobicContact CD1-CZ3 4.23Å; F36-W325 HydrophobicContact CE1-CE3 4.49Å; F36-W325 HydrophobicContact CE1-CZ3 4.42Å; A40-W325 HydrophobicContact CB-CB 3.71Å; A40-W325 HydrophobicContact CB-CG 3.74Å; L321-W325 WeakPolarHBondContact O-CB 3.31Å; L321-W325 VanDerWaalsContact O-CD1 3.29Å; L321-W325 PolarHBondContact O-N 3.49Å; W325-V328 PolarHBondContact O-N 2.95Å; W325-G329 PolarHBondContact O-N 3.5Å
326G96.3Very high92.9Very high16 Ų1663.5 Ų63.517%0.16533%0.329CS..Hα-helixtrans-63.6-40172.100000112.9G33 M322 I323 M324 G329 G330G33-G326 VanDerWaalsContact CA-O 3.26Å; G33-G326 WeakPolarHBondContact CA-O 3.42Å; G33-G326 WeakPolarHBondContact O-CA 3.28Å; M322-G326 WeakPolarHBondContact O-CA 3.49Å; M322-G326 PolarHBondContact O-N 3.34Å; I323-G326 PolarHBondContact O-N 3.47Å; M324-G326 VanDerWaalsContact C-N 3.32Å; M324-G326 PolarHBondContact O-N 3.49Å; G326-G329 PolarHBondContact O-N 2.88Å; G326-G330 PolarHBondContact O-N 2.91Å
327I96.1Very high92.9Very high103 Ų10363.4 Ų63.453%0.52833%0.329SS..Hα-helixtrans-64.5-46.2173.2-68.6164.9000110.4I323 M324 G329 G330 L331I323-I327 HydrophobicContact CG2-CD1 3.95Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.37Å; I323-I327 PolarHBondContact O-N 2.99Å; M324-I327 PolarHBondContact O-N 2.94Å; I327-G329 PolarHBondContact O-N 3.03Å; I327-G330 WeakPolarHBondContact O-CA 3.29Å; I327-G330 PolarHBondContact O-N 2.92Å; I327-G330 VanDerWaalsContact O-N 3.12Å; I327-L331 HydrophobicContact CG2-CD1 4.26Å; I327-L331 HydrophobicContact CG2-CG 4.48Å; I327-L331 WeakPolarHBondContact O-CG 3.26Å; I327-L331 PolarHBondContact O-N 3.01Å
328V96.1Very high92.7Very high57 Ų5757.9 Ų57.935%0.34531%0.313SS..Hα-helixtrans-59.1-46.9176.9173.10000111F36 M324 W325 G330 L331 I332F36-V328 HydrophobicContact CD1-CG1 4.4Å; F36-V328 HydrophobicContact CE1-CG1 4.49Å; M324-V328 WeakPolarHBondContact O-CG2 3.4Å; M324-V328 PolarHBondContact O-N 3.28Å; M324-V328 VanDerWaalsContact O-N 3.12Å; W325-V328 PolarHBondContact O-N 2.95Å; V328-G330 VanDerWaalsContact C-N 3.3Å; V328-G330 PolarHBondContact O-N 2.84Å; V328-L331 PolarHBondContact O-N 3.43Å; V328-I332 HydrophobicContact CG1-CD1 3.98Å; V328-I332 WeakPolarHBondContact O-CG1 3.46Å; V328-I332 PolarHBondContact O-N 3.18Å
329G95.8Very high92.4Very high0 Ų058.6 Ų58.60%033%0.326CS..Hα-helixtrans-59.9-40.4174.600000112.2M32 W325 G326 I327 I332 G333M32-G329 VanDerWaalsContact CB-O 3.26Å; M32-G329 WeakPolarHBondContact CB-O 3.34Å; M32-G329 WeakPolarHBondContact CG-O 3.17Å; W325-G329 PolarHBondContact O-N 3.5Å; G326-G329 PolarHBondContact O-N 2.88Å; I327-G329 PolarHBondContact O-N 3.03Å; G329-I332 PolarHBondContact O-N 2.96Å; G329-G333 PolarHBondContact O-N 3.4Å
330G94.9Very high91.8Very high12 Ų1262.4 Ų62.412%0.12433%0.327CS..Hα-helixtrans-62.5-42.7175.200000113.2G326 I327 V328 G333 A334G326-G330 PolarHBondContact O-N 2.91Å; I327-G330 WeakPolarHBondContact O-CA 3.29Å; I327-G330 PolarHBondContact O-N 2.92Å; I327-G330 VanDerWaalsContact O-N 3.12Å; V328-G330 VanDerWaalsContact C-N 3.3Å; V328-G330 PolarHBondContact O-N 2.84Å; G330-G333 PolarHBondContact O-N 2.96Å; G330-A334 PolarHBondContact O-N 3.33Å
331L94.6Very high90.6Very high124 Ų12463.5 Ų63.565%0.64933%0.328SS*.Hα-helixtrans-64.2-42.9175.6-70.3173.9000111.8I327 V328 G333 A334 G335I327-L331 HydrophobicContact CG2-CD1 4.26Å; I327-L331 HydrophobicContact CG2-CG 4.48Å; I327-L331 WeakPolarHBondContact O-CG 3.26Å; I327-L331 PolarHBondContact O-N 3.01Å; V328-L331 PolarHBondContact O-N 3.43Å; L331-G333 VanDerWaalsContact C-N 3.33Å; L331-A334 WeakPolarHBondContact O-CB 3.42Å; L331-A334 PolarHBondContact O-N 3.11Å; L331-G335 PolarHBondContact O-N 2.96Å
332I93.3Very high89Confident70 Ų7067.7 Ų67.736%0.35936%0.359SS..Hα-helixtrans-63.6-42.8174.1-64.7168000110.1M32 F36 V328 G329 A334 G335 V336M32-I332 HydrophobicContact CE-CB 4.49Å; M32-I332 HydrophobicContact CE-CG2 3.61Å; M32-I332 HydrophobicContact CG-CB 4.38Å; M32-I332 HydrophobicContact CG-CG2 4.32Å; F36-I332 HydrophobicContact CE1-CD1 3.69Å; F36-I332 HydrophobicContact CZ-CD1 3.75Å; V328-I332 HydrophobicContact CG1-CD1 3.98Å; V328-I332 WeakPolarHBondContact O-CG1 3.46Å; V328-I332 PolarHBondContact O-N 3.18Å; G329-I332 PolarHBondContact O-N 2.96Å; I332-A334 VanDerWaalsContact C-N 3.28Å; I332-A334 PolarHBondContact O-N 3.24Å; I332-G335 PolarHBondContact O-N 3.49Å; I332-G335 VanDerWaalsContact O-N 3.14Å; I332-V336 WeakPolarHBondContact O-CG2 3.34Å; I332-V336 PolarHBondContact O-N 3.45Å
333G92.3Very high87.1Confident1 Ų170 Ų701%0.0138%0.381CS..Hα-helixtrans-60.8-35.8175.700000112.9G329 G330 L331 V336 A337G329-G333 PolarHBondContact O-N 3.4Å; G330-G333 PolarHBondContact O-N 2.96Å; L331-G333 VanDerWaalsContact C-N 3.33Å; G333-V336 PolarHBondContact O-N 2.99Å; G333-A337 WeakPolarHBondContact O-CB 3.41Å; G333-A337 PolarHBondContact O-N 3.31Å
334A90.6Very high84.7Confident18 Ų1876 Ų7615%0.14940%0.403CS..Hα-helixtrans-66.4-43.517300000111.3L22 I29 G330 L331 I332 V336 A337 L338L22-A334 HydrophobicContact CD2-CB 3.64Å; I29-A334 HydrophobicContact CD1-CB 4.18Å; I29-A334 HydrophobicContact CG1-CB 4.11Å; G330-A334 PolarHBondContact O-N 3.33Å; L331-A334 WeakPolarHBondContact O-CB 3.42Å; L331-A334 PolarHBondContact O-N 3.11Å; I332-A334 VanDerWaalsContact C-N 3.28Å; I332-A334 PolarHBondContact O-N 3.24Å; A334-V336 PolarHBondContact O-N 3.21Å; A334-A337 WeakPolarHBondContact O-CB 3.46Å; A334-A337 PolarHBondContact O-N 3.35Å; A334-L338 WeakPolarHBondContact O-CG 3.42Å; A334-L338 PolarHBondContact O-N 3.31Å
335G90.5Very high84.1Confident33 Ų3375.9 Ų75.934%0.3440%0.403SS..Hα-helixtrans-58.2-45.8173.500000112.8L331 I332 A337 L338 T339L331-G335 PolarHBondContact O-N 2.96Å; I332-G335 PolarHBondContact O-N 3.49Å; I332-G335 VanDerWaalsContact O-N 3.14Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 3.05Å; G335-L338 PolarHBondContact O-N 3.09Å; G335-T339 PolarHBondContact O-N 3.24Å; G335-T339 PolarHBondContact O-OG1 3.01Å
336V88.3Confident83.5Confident46 Ų4673.9 Ų73.928%0.27940%0.402SS..Hα-helixtrans-63.3-37.6175.9173.80000111.9W28 I332 G333 A334 L338 T339 R340W28-V336 HydrophobicContact CD2-CG1 4.26Å; W28-V336 HydrophobicContact CE3-CG1 4.02Å; I332-V336 WeakPolarHBondContact O-CG2 3.34Å; I332-V336 PolarHBondContact O-N 3.45Å; G333-V336 PolarHBondContact O-N 2.99Å; A334-V336 PolarHBondContact O-N 3.21Å; V336-L338 VanDerWaalsContact C-N 3.34Å; V336-T339 PolarHBondContact O-OG1 3.47Å; V336-R340 WeakPolarHBondContact O-CB 3.49Å; V336-R340 PolarHBondContact O-N 2.93Å
337A87.4Confident82.8Confident9 Ų977.2 Ų77.27%0.07442%0.415CS..Hα-helixtrans-64.8-37.7175.900000112.5G333 A334 G335G333-A337 WeakPolarHBondContact O-CB 3.41Å; G333-A337 PolarHBondContact O-N 3.31Å; A334-A337 WeakPolarHBondContact O-CB 3.46Å; A334-A337 PolarHBondContact O-N 3.35Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 3.05Å
338L86Confident82Confident61 Ų6175.6 Ų75.632%0.31941%0.409SS..Hα-helixtrans-71.2-46.8178.8-67.8169.8000111.9L18 T21 A334 G335 V336 R340 R341 C342L18-L338 HydrophobicContact CD1-CD1 4.31Å; L18-L338 HydrophobicContact CD1-CD2 3.84Å; T21-L338 WeakPolarHBondContact OG1-CD2 3.47Å; A334-L338 WeakPolarHBondContact O-CG 3.42Å; A334-L338 PolarHBondContact O-N 3.31Å; G335-L338 PolarHBondContact O-N 3.09Å; V336-L338 VanDerWaalsContact C-N 3.34Å; L338-R340 VanDerWaalsContact C-N 3.33Å; L338-R340 PolarHBondContact O-N 3.38Å; L338-R341 PolarHBondContact O-N 3.19Å; L338-R341 VanDerWaalsContact O-N 3.09Å; L338-C342 PolarHBondContact O-N 3.23Å
339T82.8Confident81.1Confident95 Ų9576.8 Ų76.858%0.58341%0.413SS*.Hα-helixtrans-64.4-35.7-179.155.20000112.8G335 V336 R341 C342 S343G335-T339 PolarHBondContact O-N 3.24Å; G335-T339 PolarHBondContact O-OG1 3.01Å; V336-T339 PolarHBondContact O-OG1 3.47Å; T339-R341 PolarHBondContact O-N 2.94Å; T339-C342 PolarHBondContact O-N 3.28Å; T339-S343 PolarHBondContact O-N 3.3Å
340R77.6Confident80.1Confident142 Ų14281.9 Ų81.954%0.53644%0.44SS..Hα-helixtrans-65.5-18175.3-82.4-174.7155.1-162-4.8114.4W28 V336 L338W28-R340 VanDerWaalsContact CE2-NH1 3.25Å; V336-R340 WeakPolarHBondContact O-CB 3.49Å; V336-R340 PolarHBondContact O-N 2.93Å; L338-R340 VanDerWaalsContact C-N 3.33Å; L338-R340 PolarHBondContact O-N 3.38Å
341R66.3Low79.1Confident150 Ų15086.9 Ų86.957%0.56646%0.463SS*.Hα-helixtrans-88.8-37.8172.7-166.8-178.3-178.3-135.40.4112.4L338 T339 S343 K344L338-R341 PolarHBondContact O-N 3.19Å; L338-R341 VanDerWaalsContact O-N 3.09Å; T339-R341 PolarHBondContact O-N 2.94Å; R341-S343 PolarHBondContact O-N 3.14Å; R341-S343 VanDerWaalsContact O-N 3.14Å; R341-K344 PolarHBondContact O-N 3.23Å; R341-K344 VanDerWaalsContact O-OXT 3.09Å
342C59.2Low77.9Confident122 Ų12284.1 Ų84.182%0.82445%0.448SS*.Hα-helixtrans-60.6-22.3173.2-70.10000112.6L338 T339L338-C342 PolarHBondContact O-N 3.23Å; T339-C342 PolarHBondContact O-N 3.28Å
343S54.4Low76.6Confident108 Ų10885.3 Ų85.376%0.75546%0.456SS*.THydrogen-bonded Turntrans-84.6-3173.8-171.70000114.5T339 R341T339-S343 PolarHBondContact O-N 3.3Å; R341-S343 PolarHBondContact O-N 3.14Å; R341-S343 VanDerWaalsContact O-N 3.14Å
344K43.4Very low75.2Confident238 Ų23892.9 Ų92.9100%1.03550%0.496SS*.  trans-1090176.8-79.4-170.5176.1-172.50110.9R341R341-K344 PolarHBondContact O-N 3.23Å; R341-K344 VanDerWaalsContact O-OXT 3.09Å

Retrieved 344 of 344 residues in 587.4 ms (Link to these results)

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