A0A096N3H5_PAPAN Loading...

Left-right determination factor

AlphaFold DB , UniProt , Accession A0A096N3H5, Species PAPAN (Papio anubis, Olive baboon), Gene LEFTY1, Length 366 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
1M36.9Very low35.6Very low245 Ų245176 Ų176100%1.20784%0.844SS**  0105.10-58.2-177.3-159.900107.5
2R30.3Very low35.4Very low240 Ų240171.9 Ų171.991%0.90684%0.837SS**  trans-107.1129.1177-78.3-178.6171-175.8-2.9107.3L4R2-L4 PolarHBondContact O-N 2.93Å
3P40.2Very low35.2Very low114 Ų114169.5 Ų169.574%0.7483%0.83SS**  trans-82.4121.8175.431.4-27.7000109.2W5P3-W5 PolarHBondContact O-N 3.47Å
4L34Very low34.7Very low162 Ų162165.6 Ų165.685%0.84882%0.824SS**  trans-70.6115.1169.2-80.9147.8000108.5R2 L6R2-L4 PolarHBondContact O-N 2.93Å; L4-L6 PolarHBondContact O-N 3.38Å
5W37.8Very low34.6Very low230 Ų230166 Ų16687%0.87183%0.829SS**  trans-74.5102.7165.6-86.844.9000108.5P3 C7P3-W5 PolarHBondContact O-N 3.47Å; W5-C7 PolarHBondContact O-N 3.44Å
6L37.2Very low34.4Very low150 Ų150160.5 Ų160.579%0.78582%0.817SS**  trans-78.696.1167.3-83.7152.8000108.3L4 W8L4-L6 PolarHBondContact O-N 3.38Å; L6-W8 PolarHBondContact O-N 3.2Å
7C33.3Very low34.3Very low112 Ų112153.6 Ų153.676%0.75780%0.795SS**  trans-70.3107.3165.3-74.20000108.8W5 A9W5-C7 PolarHBondContact O-N 3.44Å; C7-A9 PolarHBondContact O-N 3.09Å; C7-A9 VanDerWaalsContact O-N 3.08Å
8W37.5Very low34.4Very low224 Ų224150.1 Ų150.185%0.84878%0.783SS**  trans-70.396.5166.1-78.158.6000108.3L6 L10L6-W8 PolarHBondContact O-N 3.2Å; W8-L10 VanDerWaalsContact C-N 3.3Å; W8-L10 PolarHBondContact O-N 3.13Å
9A33.4Very low34.9Very low81 Ų81145.3 Ų145.367%0.66978%0.775SS**  trans-73.490.9163.900000107.9C7 W11C7-A9 PolarHBondContact O-N 3.09Å; C7-A9 VanDerWaalsContact O-N 3.08Å; A9-W11 PolarHBondContact O-N 3.1Å
10L38.2Very low35.8Very low149 Ų149142.2 Ų142.278%0.7876%0.761SS**  trans-61.2103.5161.5-90.6150.2000107.4W8 V12W8-L10 VanDerWaalsContact C-N 3.3Å; W8-L10 PolarHBondContact O-N 3.13Å; L10-V12 VanDerWaalsContact C-N 3.3Å; L10-V12 PolarHBondContact O-N 3.03Å
11W33.4Very low37Very low229 Ų229137.3 Ų137.387%0.86774%0.741SS**  trans-6495166.1-84.165.2000108A9 L13A9-W11 PolarHBondContact O-N 3.1Å; W11-L13 VanDerWaalsContact C-N 3.34Å; W11-L13 PolarHBondContact O-N 3.49Å; W11-L13 VanDerWaalsContact O-N 3.11Å
12V32.5Very low38.7Very low127 Ų127127.6 Ų127.677%0.7769%0.694SS**  trans-69.999.6160.2-179.50000105.3L10L10-V12 VanDerWaalsContact C-N 3.3Å; L10-V12 PolarHBondContact O-N 3.03Å
13L32.4Very low41.1Very low141 Ų141119.1 Ų119.174%0.73867%0.669SS**  trans-53.4122.9163.6-81.7158.5000106.8W11 L15W11-L13 VanDerWaalsContact C-N 3.34Å; W11-L13 PolarHBondContact O-N 3.49Å; W11-L13 VanDerWaalsContact O-N 3.11Å; L13-L15 PolarHBondContact O-N 2.92Å
14P29.2Very low43Very low115 Ų115114.4 Ų114.475%0.74764%0.641SS**  trans-64.6114.9175.427.1-29.2000106.1A16P14-A16 PolarHBondContact O-N 3.24Å; P14-A16 VanDerWaalsContact O-N 3.11Å
15L32.7Very low45.4Very low171 Ų171114.4 Ų114.490%0.89564%0.636SS**PPolyproline II helixtrans-56.5118.3160.2-77.8161.3000105.7L13 G17L13-L15 PolarHBondContact O-N 2.92Å; L15-G17 PolarHBondContact O-N 3.49Å; L15-G17 VanDerWaalsContact O-N 3.08Å
16A31.9Very low47.6Very low78 Ų78107.2 Ų107.265%0.64561%0.612SS**PPolyproline II helixtrans-47.7119.5176.300000108.7P14P14-A16 PolarHBondContact O-N 3.24Å; P14-A16 VanDerWaalsContact O-N 3.11Å
17G32Very low50Low43 Ų43100 Ų10044%0.44358%0.575SS.*PPolyproline II helixtrans-61.5154175.100000110.4L15 G19L15-G17 PolarHBondContact O-N 3.49Å; L15-G17 VanDerWaalsContact O-N 3.08Å; G17-G19 PolarHBondContact O-N 3.17Å; G17-G19 VanDerWaalsContact O-N 3.1Å
18P36.3Very low52.7Low90 Ų9096.4 Ų96.458%0.58455%0.548SS*.THydrogen-bonded Turntrans-64114.117527.6-31.2000108.5I317P18-I317 HydrophobicContact CB-CG2 4.26Å
19G43.1Very low55.1Low60 Ų6087.5 Ų87.562%0.61953%0.526SS*.THydrogen-bonded Turntrans120.715171.800000117.2G17G17-G19 PolarHBondContact O-N 3.17Å; G17-G19 VanDerWaalsContact O-N 3.1Å
20T53.3Low57.7Low83 Ų8385.7 Ų85.751%0.50951%0.508SS..  trans-79.5118.1165.9570000110L22T20-L22 PolarHBondContact O-N 3.24Å
21A60.8Low60.1Low39 Ų3978.6 Ų78.632%0.32247%0.47SS..  trans-41.5132.1165.100000111.3T23 Q26 M268 E292A21-T23 WeakPolarHBondContact O-CG2 3.33Å; A21-T23 PolarHBondContact O-N 2.94Å; A21-T23 VanDerWaalsContact O-N 3.17Å; A21-Q26 PolarHBondContact O-OE1 3.21Å; A21-M268 HydrophobicContact CB-CE 3.74Å; A21-E292 WeakPolarHBondContact CA-OE1 3.15Å; A21-E292 WeakPolarHBondContact CB-OE1 3.05Å; A21-E292 PolarHBondContact N-OE1 3.02Å; A21-E292 VanDerWaalsContact N-OE1 3.11Å
22L73.4Confident62.9Low42 Ų4268.7 Ų68.722%0.2244%0.435CS..  trans-69.3111.9-177.4-159.9138.6000109.4T20 L27 I270 M346T20-L22 PolarHBondContact O-N 3.24Å; L22-L27 HydrophobicContact CD2-CB 4.42Å; L22-L27 HydrophobicContact CD2-CD1 4.06Å; L22-I270 HydrophobicContact CB-CD1 4.34Å; L22-I270 HydrophobicContact CD2-CD1 3.53Å; L22-M346 HydrophobicContact CD1-SD 3.85Å; L22-M346 HydrophobicContact CD2-SD 4.2Å
23T81.1Confident65.6Low62 Ų6270.3 Ų70.338%0.3843%0.434SS..  trans-95.8157.5-177.268.70000112.3A21 E25 Q26 L27A21-T23 WeakPolarHBondContact O-CG2 3.33Å; A21-T23 PolarHBondContact O-N 2.94Å; A21-T23 VanDerWaalsContact O-N 3.17Å; T23-E25 PolarHBondContact O-N 3.14Å; T23-Q26 VanDerWaalsContact N-OE1 3.12Å; T23-Q26 PolarHBondContact O-N 3.38Å; T23-Q26 VanDerWaalsContact O-N 3.16Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.41Å; T23-Q26 PolarHBondContact OG1-N 3.29Å; T23-L27 PolarHBondContact O-N 3.46Å; T23-L27 VanDerWaalsContact O-N 3.09Å
24G79.3Confident68.3Low15 Ų1567.6 Ų67.616%0.15542%0.417CS..Hα-helixtrans-56.9-33.4174.800000113.5L27 L28G24-L27 PolarHBondContact O-N 2.97Å; G24-L28 PolarHBondContact O-N 3.5Å
25E84.2Confident71.1Confident162 Ų16263.7 Ų63.776%0.75739%0.39SS*.Hα-helixtrans-70.9-38.9177.1-63.5-167.2163.600112.7T23 L27 L28 G29T23-E25 PolarHBondContact O-N 3.14Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 2.93Å; E25-L28 PolarHBondContact O-N 2.98Å; E25-G29 PolarHBondContact O-N 3.32Å
26Q85.1Confident73.7Confident78 Ų7864.1 Ų64.136%0.36439%0.387SS..Hα-helixtrans-63.6-36.8173.8-71.3171.1-9.600111.4A21 T23 S30A21-Q26 PolarHBondContact O-OE1 3.21Å; T23-Q26 VanDerWaalsContact N-OE1 3.12Å; T23-Q26 PolarHBondContact O-N 3.38Å; T23-Q26 VanDerWaalsContact O-N 3.16Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.41Å; T23-Q26 PolarHBondContact OG1-N 3.29Å; Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.47Å; Q26-S30 PolarHBondContact O-OG 2.8Å
27L86.7Confident76.4Confident0 Ų063.6 Ų63.60%037%0.373CS..Hα-helixtrans-67.3-45.6176.5-165.1142.7000111.4L22 T23 G24 E25 G29 S30 L31 L272 W277 F288 L324 M326 L343 M346L22-L27 HydrophobicContact CD2-CB 4.42Å; L22-L27 HydrophobicContact CD2-CD1 4.06Å; T23-L27 PolarHBondContact O-N 3.46Å; T23-L27 VanDerWaalsContact O-N 3.09Å; G24-L27 PolarHBondContact O-N 2.97Å; E25-L27 VanDerWaalsContact C-N 3.27Å; E25-L27 PolarHBondContact O-N 2.93Å; L27-G29 PolarHBondContact O-N 3.14Å; L27-S30 PolarHBondContact O-N 3.32Å; L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.3Å; L27-L272 HydrophobicContact CD1-CD2 4.41Å; L27-L272 HydrophobicContact CD2-CD2 3.89Å; L27-W277 HydrophobicContact CD2-CH2 3.41Å; L27-W277 VanDerWaalsContact CD2-CH2 3.41Å; L27-W277 HydrophobicContact CD2-CZ2 3.74Å; L27-F288 HydrophobicContact CD1-CE1 3.59Å; L27-F288 HydrophobicContact CD1-CZ 3.55Å; L27-L324 HydrophobicContact CD1-CD2 4.41Å; L27-M326 HydrophobicContact CD2-CE 4.27Å; L27-M326 HydrophobicContact CD2-SD 4.33Å; L27-L343 HydrophobicContact CD2-CD1 4.38Å; L27-L343 HydrophobicContact CG-CD1 4.2Å; L27-M346 HydrophobicContact CD1-SD 4.45Å
28L89.4Confident78.9Confident36 Ų3667 Ų6719%0.18839%0.39CS..Hα-helixtrans-56.8-49.9172.4172.562.6000111.3G24 E25 S30 L31 L32 A40 W277 W281G24-L28 PolarHBondContact O-N 3.5Å; E25-L28 PolarHBondContact O-N 2.98Å; L28-S30 PolarHBondContact O-N 3.3Å; L28-L31 PolarHBondContact O-N 3.04Å; L28-L32 HydrophobicContact CD1-CD1 3.8Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.96Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.12Å; L28-A40 HydrophobicContact CD1-CB 4.28Å; L28-W277 HydrophobicContact CB-CD2 3.87Å; L28-W277 HydrophobicContact CB-CE3 4.05Å; L28-W277 HydrophobicContact CB-CG 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.37Å; L28-W277 HydrophobicContact CB-CZ2 4.18Å; L28-W277 HydrophobicContact CB-CZ3 4.29Å; L28-W277 HydrophobicContact CD1-CD2 3.93Å; L28-W277 HydrophobicContact CD1-CE3 3.46Å; L28-W277 VanDerWaalsContact CD1-CE3 3.46Å; L28-W277 HydrophobicContact CD1-CG 4.42Å; L28-W277 HydrophobicContact CD1-CZ3 3.97Å; L28-W277 HydrophobicContact CD2-CB 3.99Å; L28-W277 HydrophobicContact CD2-CD2 4.17Å; L28-W277 HydrophobicContact CD2-CG 3.93Å; L28-W277 HydrophobicContact CG-CD2 4.2Å; L28-W277 HydrophobicContact CG-CE3 4.19Å; L28-W277 HydrophobicContact CG-CG 4.48Å; L28-W281 HydrophobicContact CD1-CZ2 4.31Å
29G88.9Confident81.3Confident37 Ų3770 Ų7038%0.38140%0.396SS..Hα-helixtrans-58.9-44.7-179.800000112.9E25 L27 L31 Q33E25-G29 PolarHBondContact O-N 3.32Å; L27-G29 PolarHBondContact O-N 3.14Å; G29-L31 VanDerWaalsContact C-N 3.3Å; G29-L31 PolarHBondContact O-N 3.32Å; G29-Q33 WeakPolarHBondContact O-CB 3.39Å; G29-Q33 PolarHBondContact O-N 3.34Å
30S87.9Confident83.4Confident42 Ų4268.7 Ų68.729%0.29438%0.38SS..Hα-helixtrans-62.3-39.4176.9-59.20000112Q26 L27 L28 Q34Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.47Å; Q26-S30 PolarHBondContact O-OG 2.8Å; L27-S30 PolarHBondContact O-N 3.32Å; L28-S30 PolarHBondContact O-N 3.3Å; S30-Q34 WeakPolarHBondContact O-CB 3.17Å; S30-Q34 PolarHBondContact O-N 3.11Å
31L89.4Confident84.9Confident0 Ų066 Ų660%036%0.364CS..Hα-helixtrans-73.8-42.2-177.6-168.9147.1000112L27 L28 G29 Q34 L35 W281 M326 V328 L343L27-L31 VanDerWaalsContact O-CB 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.3Å; L28-L31 PolarHBondContact O-N 3.04Å; G29-L31 VanDerWaalsContact C-N 3.3Å; G29-L31 PolarHBondContact O-N 3.32Å; L31-Q34 PolarHBondContact O-N 2.93Å; L31-L35 HydrophobicContact CD2-CD1 3.56Å; L31-L35 HydrophobicContact CG-CD1 4.32Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.47Å; L31-W281 HydrophobicContact CD2-CH2 2.95Å; L31-W281 HydrophobicContact CD2-CZ2 3.79Å; L31-W281 HydrophobicContact CD2-CZ3 3.44Å; L31-W281 VanDerWaalsContact CD2-CZ3 3.44Å; L31-W281 HydrophobicContact CG-CH2 4.43Å; L31-M326 HydrophobicContact CD1-CE 3.76Å; L31-M326 HydrophobicContact CD1-SD 3.59Å; L31-M326 VanDerWaalsContact CD1-SD 3.59Å; L31-V328 HydrophobicContact CD1-CG1 4.13Å; L31-V328 HydrophobicContact CD2-CG1 4.48Å; L31-L343 HydrophobicContact CB-CD1 4.32Å; L31-L343 HydrophobicContact CB-CD2 4.13Å; L31-L343 HydrophobicContact CD1-CD1 4.16Å
32L90.8Very high85.9Confident22 Ų2269.9 Ų69.912%0.11538%0.384CS..Hα-helixtrans-60.6-44.3172.1-71.4-179.5000111.8L28 Q34 L35 Q36 L37 E39 W281L28-L32 HydrophobicContact CD1-CD1 3.8Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.96Å; L28-L32 HydrophobicContact CG-CG 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.12Å; L32-Q34 PolarHBondContact O-N 3.03Å; L32-L35 CarbonylContact O-C 3.47Å; L32-L35 PolarHBondContact O-N 3.3Å; L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 2.97Å; L32-L37 WeakPolarHBondContact CB-O 3.46Å; L32-L37 HydrophobicContact CD2-CB 3.81Å; L32-L37 PolarHBondContact O-N 3.24Å; L32-E39 WeakPolarHBondContact CD2-O 3.42Å; L32-W281 HydrophobicContact CD2-CH2 4.45Å
33Q90.6Very high86.2Confident160 Ų16068.4 Ų68.475%0.74838%0.376SS*.Hα-helixtrans-61.1-43.8177-176-179.7-4.500112G29 L35 Q36G29-Q33 WeakPolarHBondContact O-CB 3.39Å; G29-Q33 PolarHBondContact O-N 3.34Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; Q33-Q36 PolarHBondContact O-N 3.05Å
34Q88.5Confident85.9Confident85 Ų8570.2 Ų70.240%0.39738%0.383SS..Hα-helixtrans-68.3-33.4179.5-175.5164.3-16.100112.6S30 L31 L32 Q36 V341 S342S30-Q34 WeakPolarHBondContact O-CB 3.17Å; S30-Q34 PolarHBondContact O-N 3.11Å; L31-Q34 PolarHBondContact O-N 2.93Å; L32-Q34 PolarHBondContact O-N 3.03Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å; Q34-V341 VanDerWaalsContact CD-CG1 3.48Å; Q34-V341 HydrophobicContact CG-CG1 3.96Å; Q34-S342 PolarHBondContact NE2-O 3.28Å; Q34-S342 PolarHBondContact OE1-O 3.12Å
35L87.5Confident85.4Confident32 Ų3279.3 Ų79.317%0.16841%0.413CS..Hα-helixtrans-85.1-5.9175.9-68.8175.3000113.8L31 L32 Q33 L37 W281 V328 I330 V341L31-L35 HydrophobicContact CD2-CD1 3.56Å; L31-L35 HydrophobicContact CG-CD1 4.32Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.47Å; L32-L35 CarbonylContact O-C 3.47Å; L32-L35 PolarHBondContact O-N 3.3Å; Q33-L35 VanDerWaalsContact C-N 3.33Å; L35-L37 HydrophobicContact CB-CD1 3.9Å; L35-L37 HydrophobicContact CB-CG 3.91Å; L35-L37 HydrophobicContact CD1-CD1 4.06Å; L35-L37 PolarHBondContact O-N 3.48Å; L35-W281 HydrophobicContact CD1-CH2 4.24Å; L35-W281 HydrophobicContact CD1-CZ3 3.71Å; L35-V328 HydrophobicContact CD1-CG2 4.13Å; L35-V328 HydrophobicContact CD2-CG2 4.44Å; L35-I330 HydrophobicContact CD1-CG2 4.37Å; L35-V341 HydrophobicContact CD2-CG2 3.59Å; L35-V341 HydrophobicContact CG-CG2 4.25Å
36Q88.5Confident84.6Confident181 Ų18175 Ų7585%0.84641%0.405SS*.THydrogen-bonded Turntrans56.936.3-174.1-54.3176.66.800113L32 Q33 Q34L32-Q36 WeakPolarHBondContact O-CA 3.47Å; L32-Q36 PolarHBondContact O-N 2.97Å; Q33-Q36 PolarHBondContact O-N 3.05Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å
37L86.9Confident83.8Confident66 Ų6673.5 Ų73.535%0.34640%0.399SS..  trans-102.1144.7176.6-64.5175.2000110.1L32 L35 P41 I330L32-L37 WeakPolarHBondContact CB-O 3.46Å; L32-L37 HydrophobicContact CD2-CB 3.81Å; L32-L37 PolarHBondContact O-N 3.24Å; L35-L37 HydrophobicContact CB-CD1 3.9Å; L35-L37 HydrophobicContact CB-CG 3.91Å; L35-L37 HydrophobicContact CD1-CD1 4.06Å; L35-L37 PolarHBondContact O-N 3.48Å; L37-P41 HydrophobicContact CD1-CG 3.92Å; L37-I330 HydrophobicContact CD1-CG2 4.38Å
38S85.5Confident82.7Confident115 Ų11576.6 Ų76.680%0.80442%0.415SS*.SBendtrans-83.2-32.1174.849.70000112.7
39E87.3Confident81.5Confident152 Ų15283.5 Ų83.571%0.7145%0.446SS*.SBendtrans-142.4160.2-177.3-65.3-177.3179.900110.5L32L32-E39 WeakPolarHBondContact CD2-O 3.42Å
40A86.1Confident80.4Confident33 Ų3389.8 Ų89.827%0.27347%0.465SS..  trans-64.9136.4179.100000111.1L28 V42 W281L28-A40 HydrophobicContact CD1-CB 4.28Å; A40-V42 PolarHBondContact O-N 2.81Å; A40-W281 HydrophobicContact CB-CZ2 4.04Å
41P85.5Confident79.6Confident26 Ų2689.3 Ų89.317%0.16946%0.459CS..  trans-62.5129.9177.4-18.329.5000111.6L37 W281 I330L37-P41 HydrophobicContact CD1-CG 3.92Å; P41-W281 HydrophobicContact CG-CD2 4.16Å; P41-W281 HydrophobicContact CG-CE3 3.78Å; P41-W281 HydrophobicContact CG-CH2 4.48Å; P41-W281 HydrophobicContact CG-CZ3 3.96Å; P41-I330 HydrophobicContact CG-CG2 4.44Å
42V80.9Confident79.2Confident122 Ų12295 Ų9574%0.73949%0.494SS*.  trans-88.5113169.6-176.60000108.5A40A40-V42 PolarHBondContact O-N 2.81Å
43L79.4Confident78.8Confident10 Ų1095.6 Ų95.65%0.05250%0.497CS..  trans-108.9129.6176.1-62-175.3000109.7N280 W281 S329 K331 T336L43-N280 HydrophobicContact CB-CB 4.32Å; L43-N280 WeakPolarHBondContact CD1-O 3.31Å; L43-W281 HydrophobicContact CD1-CB 3.65Å; L43-W281 HydrophobicContact CG-CB 4.19Å; L43-S329 WeakPolarHBondContact CD1-OG 3.41Å; L43-K331 HydrophobicContact CD2-CD 4.01Å; L43-K331 HydrophobicContact CD2-CG 3.79Å; L43-T336 HydrophobicContact CD1-CG2 4.41Å; L43-T336 HydrophobicContact CD2-CG2 3.56Å
44D76.1Confident78.8Confident100 Ų10090 Ų9054%0.53547%0.474SS..  trans-78.7152.2177.9-65.8-51000110.2A46 D47 M48D44-A46 PolarHBondContact O-N 3.29Å; D44-A46 VanDerWaalsContact O-N 3.14Å; D44-D47 WeakPolarHBondContact O-CB 3.44Å; D44-D47 PolarHBondContact O-N 3.37Å; D44-M48 PolarHBondContact O-N 3.12Å
45R68.3Low78.7Confident206 Ų20689.9 Ų89.978%0.77749%0.488SS*.Hα-helixtrans-57-32-179.2-73.7-176.1175179.5-1.8113.7M48 E49R45-M48 WeakPolarHBondContact O-CB 3.42Å; R45-M48 PolarHBondContact O-N 3.25Å; R45-E49 PolarHBondContact O-N 3.44Å
46A66.9Low78.7Confident72 Ų7294.8 Ų94.860%0.59551%0.51SS*.Hα-helixtrans-66.9-36.1176.800000112.6D44 M48 E49D44-A46 PolarHBondContact O-N 3.29Å; D44-A46 VanDerWaalsContact O-N 3.14Å; A46-M48 PolarHBondContact O-N 3.39Å; A46-E49 PolarHBondContact O-N 3.38Å
47D68.8Low78.8Confident47 Ų4786.5 Ų86.525%0.25147%0.471SS..Hα-helixtrans-70-18.6177.9-67.3-24.9000112.1D44 K331 T336D44-D47 WeakPolarHBondContact O-CB 3.44Å; D44-D47 PolarHBondContact O-N 3.37Å; D47-K331 WeakPolarHBondContact OD2-CE 3.43Å; D47-K331 IonicContact OD2-NZ 3.26Å; D47-K331 PolarHBondContact OD2-NZ 2.96Å; D47-T336 HydrophobicContact CB-CG2 4Å
48M62.8Low78.7Confident65 Ų6590.2 Ų90.232%0.3248%0.481SS..Hα-helixtrans-85.9-35.2178.2-77.9-154.76400113.8D44 R45 A46 E50 L51 N280 L283D44-M48 PolarHBondContact O-N 3.12Å; R45-M48 WeakPolarHBondContact O-CB 3.42Å; R45-M48 PolarHBondContact O-N 3.25Å; A46-M48 PolarHBondContact O-N 3.39Å; M48-E50 PolarHBondContact O-N 3.07Å; M48-L51 WeakPolarHBondContact O-CB 3.39Å; M48-L51 PolarHBondContact O-N 3.28Å; M48-L51 VanDerWaalsContact O-N 3.12Å; M48-N280 HydrophobicContact CG-CB 4.39Å; M48-N280 WeakPolarHBondContact SD-CA 3.49Å; M48-N280 HydrophobicContact SD-CB 3.48Å; M48-N280 WeakPolarHBondContact SD-CB 3.49Å; M48-N280 PolarHBondContact SD-OD1 3.11Å; M48-N280 VanDerWaalsContact SD-OD1 3.38Å; M48-L283 HydrophobicContact CE-CD2 4.41Å
49E64.7Low78.8Confident180 Ų18087.4 Ų87.484%0.84147%0.465SS*.Hα-helixtrans-66.6-26.4-179.2-71.4-178.5173.200112.3R45 A46R45-E49 PolarHBondContact O-N 3.44Å; A46-E49 PolarHBondContact O-N 3.38Å
50E65.4Low78.9Confident170 Ų17085 Ų8579%0.79445%0.454SS*.THydrogen-bonded Turntrans-88.8-7.9175.3-157.2173.9-178.500113.1M48 V52M48-E50 PolarHBondContact O-N 3.07Å; E50-V52 PolarHBondContact O-N 3.11Å; E50-V52 VanDerWaalsContact O-N 3.1Å
51L72.2Confident79Confident32 Ų3284.7 Ų84.717%0.16845%0.445CS..  trans-81.496-170.3-166.372.1000112.2M48 L283M48-L51 WeakPolarHBondContact O-CB 3.39Å; M48-L51 PolarHBondContact O-N 3.28Å; M48-L51 VanDerWaalsContact O-N 3.12Å; L51-L283 HydrophobicContact CD2-CD1 3.66Å; L51-L283 HydrophobicContact CD2-CD2 3.82Å; L51-L283 HydrophobicContact CD2-CG 4.35Å; L51-L283 HydrophobicContact CG-CD1 4.49Å
52V79.9Confident79.1Confident120 Ų12086.3 Ų86.373%0.72746%0.455SS*.  trans-96.4119.1171.6-174.60000110E50 P54E50-V52 PolarHBondContact O-N 3.11Å; E50-V52 VanDerWaalsContact O-N 3.1Å; V52-P54 WeakPolarHBondContact O-CD 3.49Å
53I83.6Confident79.5Confident33 Ų3383.5 Ų83.517%0.16944%0.438CS..  trans-64.7115.6173.4-57.4173.5000109.5V57 R58 L283 I327I53-V57 HydrophobicContact CG2-CB 4.12Å; I53-V57 HydrophobicContact CG2-CG1 4.01Å; I53-R58 HydrophobicContact CG2-CB 4.5Å; I53-L283 HydrophobicContact CD1-CB 4.19Å; I53-L283 HydrophobicContact CD1-CD1 3.97Å; I53-L283 HydrophobicContact CG1-CD1 3.86Å; I53-I327 HydrophobicContact CD1-CD1 4.3Å; I53-I327 HydrophobicContact CD1-CG2 4.35Å; I53-I327 HydrophobicContact CG2-CD1 4.22Å
54P90.1Very high79.8Confident43 Ų4385 Ų8528%0.27945%0.446SS..  trans-62.8150.2-179.2-23.334.4000112.8V52 H56 V57 R58 P338V52-P54 WeakPolarHBondContact O-CD 3.49Å; P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.46Å; P54-H56 WeakPolarHBondContact CB-ND1 3.39Å; P54-H56 PolarHBondContact O-N 2.77Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.45Å; P54-V57 VanDerWaalsContact O-N 3.13Å; P54-R58 PolarHBondContact O-N 2.8Å; P54-R58 VanDerWaalsContact O-N 3.09Å; P54-P338 HydrophobicContact CG-CG 4.26Å
55A86.5Confident80.2Confident83 Ų8382.9 Ų82.969%0.68643%0.434SS*.Hα-helixtrans-57.7-35.9-178.300000113.5R58 A59A55-R58 PolarHBondContact O-N 3.25Å; A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 2.83Å
56H88.1Confident80.9Confident135 Ų13579.2 Ų79.263%0.62543%0.426SS*.Hα-helixtrans-68.2-39.8178.666.4-90.7000112.5P54 A59 Q60P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 WeakPolarHBondContact CB-CE1 3.46Å; P54-H56 WeakPolarHBondContact CB-ND1 3.39Å; P54-H56 PolarHBondContact O-N 2.77Å; H56-A59 PolarHBondContact O-N 3.49Å; H56-Q60 WeakPolarHBondContact O-CB 3.43Å; H56-Q60 PolarHBondContact O-N 3.1Å
57V89.6Confident81.6Confident6 Ų684.2 Ų84.24%0.03643%0.429CS..Hα-helixtrans-62.9-45.7175179.10000109.6I53 P54 A59 Q60 Y61 I327 V340I53-V57 HydrophobicContact CG2-CB 4.12Å; I53-V57 HydrophobicContact CG2-CG1 4.01Å; P54-V57 HydrophobicContact CB-CG2 4.15Å; P54-V57 HydrophobicContact CG-CG2 4.13Å; P54-V57 PolarHBondContact O-N 3.45Å; P54-V57 VanDerWaalsContact O-N 3.13Å; V57-A59 PolarHBondContact O-N 3.14Å; V57-Q60 PolarHBondContact O-N 3.49Å; V57-Y61 WeakPolarHBondContact O-CB 3.2Å; V57-Y61 PolarHBondContact O-N 2.99Å; V57-I327 HydrophobicContact CG1-CG2 4.18Å; V57-V340 HydrophobicContact CB-CG2 4.47Å; V57-V340 HydrophobicContact CG1-CG2 3.52Å; V57-V340 WeakPolarHBondContact O-CG2 3.45Å
58R85.6Confident81.7Confident144 Ų14482.5 Ų82.554%0.54342%0.421SS..Hα-helixtrans-61-45176.7-169.2-177.9-62.4169.81.9112I53 P54 A55 Q60 Y61 V62I53-R58 HydrophobicContact CG2-CB 4.5Å; P54-R58 PolarHBondContact O-N 2.8Å; P54-R58 VanDerWaalsContact O-N 3.09Å; A55-R58 PolarHBondContact O-N 3.25Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-Q60 PolarHBondContact O-N 3.47Å; R58-Y61 PolarHBondContact O-N 3.05Å; R58-V62 WeakPolarHBondContact O-CG2 3.34Å; R58-V62 PolarHBondContact O-N 2.76Å
59A86.4Confident81.9Confident57 Ų5784.2 Ų84.247%0.47143%0.428SS..Hα-helixtrans-63-40.617800000112.2A55 H56 V57 T63A55-A59 WeakPolarHBondContact O-CB 3.27Å; A55-A59 PolarHBondContact O-N 2.83Å; H56-A59 PolarHBondContact O-N 3.49Å; V57-A59 PolarHBondContact O-N 3.14Å; A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.8Å; A59-T63 PolarHBondContact O-OG1 3.07Å
60Q89.6Confident81.6Confident102 Ų10285.5 Ų85.548%0.47743%0.425SS..Hα-helixtrans-62.5-46.8174.8-177.4179.3-4.200111.5H56 V57 R58 T63 L64 V340H56-Q60 WeakPolarHBondContact O-CB 3.43Å; H56-Q60 PolarHBondContact O-N 3.1Å; V57-Q60 PolarHBondContact O-N 3.49Å; R58-Q60 VanDerWaalsContact C-N 3.34Å; R58-Q60 PolarHBondContact O-N 3.47Å; Q60-T63 PolarHBondContact O-N 2.8Å; Q60-L64 PolarHBondContact O-N 2.89Å; Q60-L64 VanDerWaalsContact O-N 3.11Å; Q60-V340 HydrophobicContact CB-CG2 4.24Å; Q60-V340 HydrophobicContact CG-CB 4.44Å; Q60-V340 HydrophobicContact CG-CG2 4.25Å
61Y88.9Confident80.5Confident25 Ų2583.5 Ų83.510%0.09842%0.42CS..Hα-helixtrans-57.4-50.9176.5172.1-100.8000112.1V57 R58 T63 L64 L65 E284 P325 I327V57-Y61 WeakPolarHBondContact O-CB 3.2Å; V57-Y61 PolarHBondContact O-N 2.99Å; R58-Y61 PolarHBondContact O-N 3.05Å; Y61-T63 VanDerWaalsContact C-N 3.28Å; Y61-T63 PolarHBondContact O-N 3.16Å; Y61-L64 PolarHBondContact O-N 3.38Å; Y61-L64 VanDerWaalsContact O-N 3.14Å; Y61-L65 HydrophobicContact CE1-CD2 4.36Å; Y61-L65 PolarHBondContact O-N 2.82Å; Y61-E284 HydrophobicContact CE2-CB 4.33Å; Y61-P325 HydrophobicContact CD2-CB 4.01Å; Y61-P325 HydrophobicContact CD2-CG 4.46Å; Y61-P325 HydrophobicContact CE2-CB 4.11Å; Y61-P325 HydrophobicContact CE2-CG 4.2Å; Y61-P325 WeakPolarHBondContact CE2-O 3.43Å; Y61-I327 HydrophobicContact CD1-CD1 4.15Å; Y61-I327 HydrophobicContact CD2-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CG1 3.62Å; Y61-I327 HydrophobicContact CE2-CG1 4.23Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.82Å
62V87.4Confident79.3Confident60 Ų6093 Ų9336%0.36445%0.454SS..Hα-helixtrans-60-39.6179172.30000111.5R58 L64 L65 Q66R58-V62 WeakPolarHBondContact O-CG2 3.34Å; R58-V62 PolarHBondContact O-N 2.76Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 2.92Å; V62-L65 PolarHBondContact O-N 2.75Å; V62-Q66 WeakPolarHBondContact O-CG 3.45Å; V62-Q66 PolarHBondContact O-N 3.26Å
63T88.4Confident77.3Confident63 Ų6391.9 Ų91.939%0.38745%0.451SS..Hα-helixtrans-62.4-41.6177.5-58.90000111.8A59 Q60 Y61 R67A59-T63 WeakPolarHBondContact O-CB 3.48Å; A59-T63 PolarHBondContact O-N 2.8Å; A59-T63 PolarHBondContact O-OG1 3.07Å; Q60-T63 PolarHBondContact O-N 2.8Å; Y61-T63 VanDerWaalsContact C-N 3.28Å; Y61-T63 PolarHBondContact O-N 3.16Å; T63-R67 WeakPolarHBondContact O-CG 3.41Å; T63-R67 PolarHBondContact O-N 3.38Å
64L86.9Confident75Confident41 Ų41102.2 Ų102.222%0.21549%0.488CS..Hα-helixtrans-69.6-39.1176.9-68.3175.1000111.8Q60 Y61 V62 Q66 R67 S68 P325 V340Q60-L64 PolarHBondContact O-N 2.89Å; Q60-L64 VanDerWaalsContact O-N 3.11Å; Y61-L64 PolarHBondContact O-N 3.38Å; Y61-L64 VanDerWaalsContact O-N 3.14Å; V62-L64 VanDerWaalsContact C-N 3.35Å; V62-L64 PolarHBondContact O-N 2.92Å; L64-Q66 PolarHBondContact O-N 2.74Å; L64-R67 PolarHBondContact O-N 2.77Å; L64-R67 VanDerWaalsContact O-N 3.16Å; L64-S68 PolarHBondContact O-N 2.87Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.08Å; L64-P325 HydrophobicContact CD1-CB 4.21Å; L64-V340 HydrophobicContact CD1-CG1 3.8Å
65L84.1Confident72.2Confident56 Ų56103.6 Ų103.629%0.29351%0.51SS..Hα-helixtrans-61.5-44.8176.9-169.170.6000111.4Y61 V62 R67 S68 H69 P325Y61-L65 HydrophobicContact CE1-CD2 4.36Å; Y61-L65 PolarHBondContact O-N 2.82Å; V62-L65 PolarHBondContact O-N 2.75Å; L65-R67 PolarHBondContact O-N 2.94Å; L65-S68 PolarHBondContact O-N 3.48Å; L65-S68 PolarHBondContact O-OG 3.27Å; L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 VanDerWaalsContact O-CD2 3.24Å; L65-H69 PolarHBondContact O-N 3.47Å; L65-P325 HydrophobicContact CB-CG 4.27Å; L65-P325 HydrophobicContact CD1-CG 4.16Å
66Q83.6Confident69.5Low129 Ų129107.7 Ų107.760%0.60351%0.512SS*.Hα-helixtrans-61.5-31.4176.4-72.7177.6-2.900113V62 L64V62-Q66 WeakPolarHBondContact O-CG 3.45Å; V62-Q66 PolarHBondContact O-N 3.26Å; L64-Q66 PolarHBondContact O-N 2.74Å
67R80.3Confident66.7Low177 Ų177111.9 Ų111.967%0.66852%0.523SS*.Hα-helixtrans-74.2-38.6176.8-70.4175.4-176.1-175.81.6112.1T63 L64 L65 H69T63-R67 WeakPolarHBondContact O-CG 3.41Å; T63-R67 PolarHBondContact O-N 3.38Å; L64-R67 PolarHBondContact O-N 2.77Å; L64-R67 VanDerWaalsContact O-N 3.16Å; L65-R67 PolarHBondContact O-N 2.94Å; R67-H69 VanDerWaalsContact C-N 3.28Å; R67-H69 PolarHBondContact O-N 2.89Å
68S71Confident63.8Low11 Ų11119.3 Ų119.38%0.07756%0.555CS.*Hα-helixtrans-70.4-25.5179.969.40000112.9L64 L65 S323 R347 Q349L64-S68 PolarHBondContact O-N 2.87Å; L65-S68 PolarHBondContact O-N 3.48Å; L65-S68 PolarHBondContact O-OG 3.27Å; S68-S323 VanDerWaalsContact CB-O 3.27Å; S68-S323 WeakPolarHBondContact CB-O 3.33Å; S68-R347 VanDerWaalsContact C-NH2 3.27Å; S68-R347 PolarHBondContact O-NH2 3.25Å; S68-Q349 PolarHBondContact O-NE2 3.33Å; S68-Q349 VanDerWaalsContact O-NE2 3.11Å
69H67.9Low61.2Low102 Ų102117.8 Ų117.847%0.47257%0.566SS.*THydrogen-bonded Turntrans-92.3-0.9179.3-79.9-95.5000115.7L65 R67 D71 R347L65-H69 PolarHBondContact O-CD2 3.43Å; L65-H69 VanDerWaalsContact O-CD2 3.24Å; L65-H69 PolarHBondContact O-N 3.47Å; R67-H69 VanDerWaalsContact C-N 3.28Å; R67-H69 PolarHBondContact O-N 2.89Å; H69-D71 PolarHBondContact O-N 2.68Å; H69-R347 PolarHBondContact CD2-NH2 2.83Å; H69-R347 PolarHBondContact CE1-NH1 2.95Å; H69-R347 PolarHBondContact ND1-NH2 2.86Å; H69-R347 PolarHBondContact NE2-NH1 3.23Å
70R57.6Low58.4Low207 Ų207123.4 Ų123.478%0.78158%0.583SS**  trans-70.696.7177.1-89.3-177.1175.7-171.4-1.1110.9R72R70-R72 PolarHBondContact O-N 2.93Å
71D43.6Very low55.5Low127 Ų127124 Ų12468%0.67960%0.598SS**  trans-56.5119.6166.4-84.4-35.5000110.7H69H69-D71 PolarHBondContact O-N 2.68Å
72R45.7Very low52.9Low233 Ų233128.7 Ų128.788%0.87962%0.619SS**  trans-103.165.3170.3-77.3-176.4171.8-178.9-1.5109.8R70R70-R72 PolarHBondContact O-N 2.93Å
73S38.5Very low50.6Low95 Ų95135 Ų13566%0.66464%0.636SS**  trans-12394.7177.550.90000111.5
74R35.9Very low48.6Very low250 Ų250137 Ų13794%0.94364%0.641SS**  trans-12477.9159.5-85.1-173.2175.2179.9-0.7109.2
75G30.5Very low46.9Very low73 Ų73135.1 Ų135.175%0.75363%0.632SS**  trans-84.2111.2168.100000110.2
76K28.8Very low45.3Very low168 Ų168135.2 Ų135.273%0.7364%0.641SS**  trans-87.7122.7167.5-75.2-177.6176.8-178.70108.9F78K76-F78 PolarHBondContact O-N 3.09Å
77R30.7Very low43.6Very low224 Ų224129.1 Ų129.185%0.84561%0.612SS**  trans-68.1120.6171.9-86.1178.7176.6161.1-0.6110.3
78F27.8Very low42.4Very low162 Ų162127.1 Ų127.171%0.71160%0.604SS**  trans-141.6123.1149.5-74.9-75.6000108.2K76K76-F78 PolarHBondContact O-N 3.09Å
79S31.5Very low41.5Very low111 Ų111128.9 Ų128.978%0.77661%0.611SS**  trans-106.2131.7176.2167.70000107.9
80Q28.3Very low40.4Very low176 Ų176128.7 Ų128.782%0.82261%0.613SS**  trans178.7141.5142.9-97.9168.721.400109.4
81S28.4Very low40.1Very low114 Ų114121.3 Ų121.380%0.79760%0.596SS**  trans-96.4157-171.4810000114.1
82F34.3Very low40.5Very low123 Ų123118.8 Ų118.854%0.53959%0.588SS.*  trans53.5113160.3-133.3-96.7000119E84 L237F82-E84 HydrophobicContact CE1-CG 4.42Å; F82-L237 VanDerWaalsContact CE2-O 3.31Å; F82-L237 WeakPolarHBondContact CE2-O 3.32Å
83R39Very low41.1Very low193 Ų193114.6 Ų114.673%0.72858%0.579SS**  trans-143.6117.5158.1-66.3-172.8177.4-164-1.2110.3V85 R106R83-V85 PolarHBondContact O-N 3.07Å; R83-R106 PolarHBondContact O-NH1 2.97Å; R83-R106 VanDerWaalsContact O-NH1 3.11Å
84E46.1Very low42.3Very low105 Ų105115.6 Ų115.649%0.49159%0.592SS.*  trans-46.7131.4160.5-69.2175.5-175.100109.6F82 R106 Q234F82-E84 HydrophobicContact CE1-CG 4.42Å; E84-R106 PolarHBondContact O-NH1 2.87Å; E84-Q234 PolarHBondContact OE2-NE2 3.15Å
85V51.7Low44.1Very low2 Ų2105.9 Ų105.91%0.01256%0.563CS.*EExtended strand (participates in β ladder)trans-99.4105.6176.7-166.10000107.3R83 G87 F101 R106 L235R83-V85 PolarHBondContact O-N 3.07Å; V85-G87 PolarHBondContact O-N 3.14Å; V85-F101 HydrophobicContact CB-CD1 4.09Å; V85-F101 HydrophobicContact CG1-CB 3.96Å; V85-F101 HydrophobicContact CG1-CD1 3.89Å; V85-F101 HydrophobicContact CG1-CG 4.44Å; V85-F101 WeakPolarHBondContact O-CD1 3.26Å; V85-F101 WeakPolarHBondContact O-CE1 3.33Å; V85-R106 HydrophobicContact CG2-CB 4.33Å; V85-R106 HydrophobicContact CG2-CG 3.88Å; V85-L235 HydrophobicContact CB-CB 4.35Å; V85-L235 PolarHBondContact N-O 2.81Å; V85-L235 PolarHBondContact O-N 3.43Å
86A49.5Very low46.6Very low58 Ų58104 Ų10448%0.47954%0.537SS..EExtended strand (participates in β ladder)trans-65.2118.3169.300000108.6
87G48.7Very low49.2Very low0 Ų097.4 Ų97.40%051%0.509CS..PPolyproline II helixtrans-76.8131.8174.600000110.1V85 P233V85-G87 PolarHBondContact O-N 3.14Å; G87-P233 PolarHBondContact N-O 3.13Å
88R54.4Low51.8Low135 Ų13588.5 Ų88.551%0.50948%0.477SS..EExtended strand (participates in β ladder)trans-90.9143.3169.568.5-179.5178.2179.9-0.2110.2L90 V100R88-L90 HydrophobicContact CG-CD2 4.24Å; R88-L90 HydrophobicContact CG-CG 4.43Å; R88-V100 HydrophobicContact CG-CB 3.79Å; R88-V100 HydrophobicContact CG-CG1 4.37Å; R88-V100 PolarHBondContact N-O 3.48Å; R88-V100 PolarHBondContact O-N 3.31Å
89F52.2Low54.6Low49 Ų4981 Ų8122%0.21545%0.445CS..EExtended strand (participates in β ladder)trans-96.4120-179.7-168.7-84.8000109.9A91 S92 H97 L99F89-A91 VanDerWaalsContact CE1-O 3.28Å; F89-A91 WeakPolarHBondContact CE1-O 3.45Å; F89-A91 VanDerWaalsContact CZ-C 3.41Å; F89-A91 WeakPolarHBondContact CZ-O 3.42Å; F89-S92 VanDerWaalsContact CE1-CA 3.46Å; F89-H97 HydrophobicContact CD2-CB 4.48Å; F89-H97 VanDerWaalsContact CE2-CA 3.5Å; F89-H97 HydrophobicContact CE2-CB 3.41Å; F89-H97 VanDerWaalsContact CE2-CB 3.41Å; F89-H97 AromaticContact CE2-CG 3.55Å; F89-H97 AromaticContact CE2-ND1 3.08Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.29Å; F89-H97 HydrophobicContact CZ-CB 3.99Å; F89-H97 AromaticContact CZ-CG 3.92Å; F89-H97 AromaticContact CZ-ND1 3.15Å; F89-H97 WeakPolarHBondContact CZ-ND1 3.12Å; F89-L99 HydrophobicContact CD2-CD2 3.93Å
90L45.5Very low57.2Low98 Ų9875.9 Ų75.951%0.51341%0.409SS..EExtended strand (participates in β ladder)trans-105.7-26.4-174.5-67.6-173.2000114.9R88 L98 V100R88-L90 HydrophobicContact CG-CD2 4.24Å; R88-L90 HydrophobicContact CG-CG 4.43Å; L90-L98 HydrophobicContact CB-CD2 4.42Å; L90-L98 PolarHBondContact N-O 2.82Å; L90-L98 VanDerWaalsContact N-O 3.13Å; L90-V100 HydrophobicContact CB-CG2 4.48Å; L90-V100 HydrophobicContact CD1-CB 4.21Å; L90-V100 HydrophobicContact CD1-CG2 3.34Å; L90-V100 HydrophobicContact CG-CB 4.46Å; L90-V100 HydrophobicContact CG-CG2 3.73Å
91A51.7Low59.9Low52 Ų5267.5 Ų67.543%0.4337%0.37SS..EExtended strand (participates in β ladder)trans-155.4125179.400000111F89 L98F89-A91 VanDerWaalsContact CE1-O 3.28Å; F89-A91 WeakPolarHBondContact CE1-O 3.45Å; F89-A91 VanDerWaalsContact CZ-C 3.41Å; F89-A91 WeakPolarHBondContact CZ-O 3.42Å; A91-L98 PolarHBondContact O-N 2.79Å
92S51.7Low62.5Low73 Ų7364.1 Ų64.151%0.5135%0.353SS..EExtended strand (participates in β ladder)trans-113.6102.1172.8-155.40000107F89 T96 H97F89-S92 VanDerWaalsContact CE1-CA 3.46Å; S92-T96 WeakPolarHBondContact CA-O 3.49Å; S92-H97 PolarHBondContact OG-CE1 3.08Å; S92-H97 PolarHBondContact OG-ND1 3.13Å
93E57.9Low64.6Low146 Ų14658.5 Ų58.568%0.68233%0.329SS*.EExtended strand (participates in β ladder)trans-79.1161.4152.4-65.4-177.9172.500107.2S95 T96E93-S95 PolarHBondContact O-N 3.47Å; E93-T96 PolarHBondContact N-O 2.78Å; E93-T96 PolarHBondContact O-N 3.11Å; E93-T96 VanDerWaalsContact O-O 3.12Å
94A63.3Low66.1Low115 Ų11554.5 Ų54.595%0.9532%0.318SS*.THydrogen-bonded Turntrans-56-13.2-166.100000115.8
95S73.8Confident67Low47 Ų4758.2 Ų58.233%0.32934%0.336SS..THydrogen-bonded Turntrans-141.47.2176.2560000114E93 S202 V203E93-S95 PolarHBondContact O-N 3.47Å; S95-S202 CarbonylContact O-C 3.57Å; S95-S202 WeakPolarHBondContact O-CA 3.06Å; S95-V203 WeakPolarHBondContact CB-O 3.07Å; S95-V203 PolarHBondContact O-N 2.88Å
96T83.1Confident67.9Low34 Ų3461.7 Ų61.721%0.20935%0.348CS..EExtended strand (participates in β ladder)trans-130.6132.5-174.5-50.50000109.9S92 E93 Q200 V201S92-T96 WeakPolarHBondContact CA-O 3.49Å; E93-T96 PolarHBondContact N-O 2.78Å; E93-T96 PolarHBondContact O-N 3.11Å; E93-T96 VanDerWaalsContact O-O 3.12Å; T96-Q200 HydrophobicContact CG2-CG 3.74Å; T96-V201 CarbonylContact C-O 3.59Å; T96-V201 WeakPolarHBondContact CA-O 3.38Å
97H83.8Confident68.9Low28 Ų2860.2 Ų60.213%0.1333%0.332CS..EExtended strand (participates in β ladder)trans-131.2113-164.9-73.2-55.4000109.1F89 S92 V201F89-H97 HydrophobicContact CD2-CB 4.48Å; F89-H97 VanDerWaalsContact CE2-CA 3.5Å; F89-H97 HydrophobicContact CE2-CB 3.41Å; F89-H97 VanDerWaalsContact CE2-CB 3.41Å; F89-H97 AromaticContact CE2-CG 3.55Å; F89-H97 AromaticContact CE2-ND1 3.08Å; F89-H97 WeakPolarHBondContact CE2-ND1 3.29Å; F89-H97 HydrophobicContact CZ-CB 3.99Å; F89-H97 AromaticContact CZ-CG 3.92Å; F89-H97 AromaticContact CZ-ND1 3.15Å; F89-H97 WeakPolarHBondContact CZ-ND1 3.12Å; S92-H97 PolarHBondContact OG-CE1 3.08Å; S92-H97 PolarHBondContact OG-ND1 3.13Å; H97-V201 HydrophobicContact CB-CB 4.08Å; H97-V201 WeakPolarHBondContact CB-O 2.95Å; H97-V201 PolarHBondContact N-O 2.95Å; H97-V201 PolarHBondContact O-N 3.06Å
98L86Confident69.9Low37 Ų3761.9 Ų61.919%0.19434%0.343CS..EExtended strand (participates in β ladder)trans-94.3115175.9-176.463.2000111L90 A91 V100 L150L90-L98 HydrophobicContact CB-CD2 4.42Å; L90-L98 PolarHBondContact N-O 2.82Å; L90-L98 VanDerWaalsContact N-O 3.13Å; A91-L98 PolarHBondContact O-N 2.79Å; L98-V100 HydrophobicContact CG-CG2 4.42Å; L98-L150 HydrophobicContact CD1-CD2 3.71Å
99L86.6Confident70.5Confident4 Ų459.5 Ų59.52%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-101.7134178-55179.7000110.7F89 F101 L118 L120 L198 L199 V201 P233F89-L99 HydrophobicContact CD2-CD2 3.93Å; L99-F101 HydrophobicContact CB-CD2 4.41Å; L99-F101 HydrophobicContact CB-CE2 3.59Å; L99-F101 HydrophobicContact CB-CZ 4.11Å; L99-F101 HydrophobicContact CD1-CE2 4.23Å; L99-F101 HydrophobicContact CD1-CZ 4.22Å; L99-L118 HydrophobicContact CD1-CD1 4.01Å; L99-L118 HydrophobicContact CD1-CD2 4.03Å; L99-L120 HydrophobicContact CD1-CD2 3.88Å; L99-L198 WeakPolarHBondContact O-CA 3.44Å; L99-L199 HydrophobicContact CB-CB 4.37Å; L99-L199 WeakPolarHBondContact CB-O 3.09Å; L99-L199 PolarHBondContact N-O 2.72Å; L99-L199 PolarHBondContact O-N 2.95Å; L99-V201 HydrophobicContact CD1-CG2 3.71Å; L99-V201 HydrophobicContact CG-CG2 4.29Å; L99-P233 HydrophobicContact CD1-CB 4.14Å; L99-P233 HydrophobicContact CD2-CB 4Å; L99-P233 HydrophobicContact CD2-CG 3.71Å
100V86.2Confident71.5Confident4 Ų460.9 Ų60.92%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-124.8121.1-179.7-178.60000110.1R88 L90 L98 P196 L198R88-V100 HydrophobicContact CG-CB 3.79Å; R88-V100 HydrophobicContact CG-CG1 4.37Å; R88-V100 PolarHBondContact N-O 3.48Å; R88-V100 PolarHBondContact O-N 3.31Å; L90-V100 HydrophobicContact CB-CG2 4.48Å; L90-V100 HydrophobicContact CD1-CB 4.21Å; L90-V100 HydrophobicContact CD1-CG2 3.34Å; L90-V100 HydrophobicContact CG-CB 4.46Å; L90-V100 HydrophobicContact CG-CG2 3.73Å; L98-V100 HydrophobicContact CG-CG2 4.42Å; V100-P196 HydrophobicContact CG1-CB 3.68Å; V100-P196 HydrophobicContact CG1-CG 3.97Å; V100-L198 HydrophobicContact CB-CD2 3.96Å; V100-L198 HydrophobicContact CG1-CD2 3.72Å; V100-L198 HydrophobicContact CG2-CD2 3.33Å
101F84.4Confident73Confident0 Ų056.9 Ų56.90%034%0.335CS..EExtended strand (participates in β ladder)trans-112.4120.6-179.3-61.9-85.1000110V85 L99 M103 L118 P196 L197 L199 L235V85-F101 HydrophobicContact CB-CD1 4.09Å; V85-F101 HydrophobicContact CG1-CB 3.96Å; V85-F101 HydrophobicContact CG1-CD1 3.89Å; V85-F101 HydrophobicContact CG1-CG 4.44Å; V85-F101 WeakPolarHBondContact O-CD1 3.26Å; V85-F101 WeakPolarHBondContact O-CE1 3.33Å; L99-F101 HydrophobicContact CB-CD2 4.41Å; L99-F101 HydrophobicContact CB-CE2 3.59Å; L99-F101 HydrophobicContact CB-CZ 4.11Å; L99-F101 HydrophobicContact CD1-CE2 4.23Å; L99-F101 HydrophobicContact CD1-CZ 4.22Å; F101-M103 HydrophobicContact CB-SD 4.01Å; F101-M103 PolarHBondContact O-N 3.49Å; F101-L118 HydrophobicContact CE2-CD1 4.19Å; F101-L118 HydrophobicContact CZ-CD1 3.62Å; F101-P196 CarbonylContact O-C 3.47Å; F101-P196 VanDerWaalsContact O-CA 3.24Å; F101-P196 WeakPolarHBondContact O-CA 3.44Å; F101-P196 VanDerWaalsContact O-CB 3.22Å; F101-P196 WeakPolarHBondContact O-CB 3.24Å; F101-L197 HydrophobicContact CB-CB 4.24Å; F101-L197 HydrophobicContact CD2-CD2 4.46Å; F101-L197 PolarHBondContact N-O 2.89Å; F101-L197 PolarHBondContact O-N 2.89Å; F101-L199 HydrophobicContact CD2-CD1 4.33Å; F101-L199 HydrophobicContact CE2-CD1 3.93Å; F101-L199 HydrophobicContact CE2-CG 4.39Å; F101-L235 HydrophobicContact CB-CD2 4.13Å; F101-L235 HydrophobicContact CD1-CB 3.59Å; F101-L235 HydrophobicContact CD1-CD2 4Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 4.35Å; F101-L235 HydrophobicContact CE1-CB 3.46Å; F101-L235 VanDerWaalsContact CE1-CB 3.46Å; F101-L235 HydrophobicContact CG-CB 4.29Å; F101-L235 HydrophobicContact CG-CD2 3.9Å; F101-L235 HydrophobicContact CZ-CB 4.07Å
102G82.2Confident74.3Confident44 Ų4457.4 Ų57.445%0.45433%0.329SS..  trans-74.8102.5172.300000110.2R106G102-R106 WeakPolarHBondContact O-CG 3.42Å
103M78.6Confident75.5Confident4 Ų454.6 Ų54.62%0.0231%0.308CS..  trans-91.92.1-173.7-60.9-59.7-73.600114F101 Q105 R106 V184 W187 L197 L235 L237F101-M103 HydrophobicContact CB-SD 4.01Å; F101-M103 PolarHBondContact O-N 3.49Å; M103-Q105 PolarHBondContact O-N 3.3Å; M103-R106 PolarHBondContact O-N 3.29Å; M103-R106 VanDerWaalsContact O-N 3.13Å; M103-V184 HydrophobicContact CE-CG1 4.03Å; M103-W187 HydrophobicContact CB-CD2 4.47Å; M103-W187 HydrophobicContact CB-CE3 4.37Å; M103-W187 HydrophobicContact CB-CH2 3.21Å; M103-W187 HydrophobicContact CB-CZ2 3.3Å; M103-W187 HydrophobicContact CB-CZ3 3.77Å; M103-W187 HydrophobicContact CE-CE3 4.4Å; M103-W187 HydrophobicContact CE-CZ3 4.32Å; M103-W187 HydrophobicContact CG-CD2 4.31Å; M103-W187 HydrophobicContact CG-CE3 4.41Å; M103-W187 HydrophobicContact CG-CH2 4.06Å; M103-W187 HydrophobicContact CG-CZ2 3.92Å; M103-W187 HydrophobicContact CG-CZ3 4.27Å; M103-L197 HydrophobicContact CG-CB 3.56Å; M103-L197 HydrophobicContact SD-CB 4.11Å; M103-L197 HydrophobicContact SD-CD2 4.34Å; M103-L235 HydrophobicContact CE-CD2 4.29Å; M103-L235 HydrophobicContact SD-CD2 3.86Å; M103-L237 HydrophobicContact CE-CD1 3.89Å
104E70.1Confident76.4Confident109 Ų10949 Ų4951%0.50928%0.284SS..THydrogen-bonded Turntrans-59.8123.4-179.6-173165.4-15600110.9R106 R194E104-R106 PolarHBondContact O-N 2.9Å; E104-R106 VanDerWaalsContact O-N 3.12Å; E104-R194 IonicContact OE1-NE 3.77Å
105Q64.6Low77.1Confident184 Ų18445.6 Ų45.686%0.8625%0.248SC*.THydrogen-bonded Turntrans58.817.4-177.8-55.7172.72100114.9M103M103-Q105 PolarHBondContact O-N 3.3Å
106R71.2Confident77.7Confident74 Ų7443.3 Ų43.328%0.27923%0.232SC..THydrogen-bonded Turntrans-87.2-23.8-179.4-61.7-58-173.2123.8-0.8114R83 E84 V85 G102 M103 E104 L237R83-R106 PolarHBondContact O-NH1 2.97Å; R83-R106 VanDerWaalsContact O-NH1 3.11Å; E84-R106 PolarHBondContact O-NH1 2.87Å; V85-R106 HydrophobicContact CG2-CB 4.33Å; V85-R106 HydrophobicContact CG2-CG 3.88Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; M103-R106 PolarHBondContact O-N 3.29Å; M103-R106 VanDerWaalsContact O-N 3.13Å; E104-R106 PolarHBondContact O-N 2.9Å; E104-R106 VanDerWaalsContact O-N 3.12Å; R106-L237 HydrophobicContact CB-CD1 4.41Å
107L70.8Confident78Confident27 Ų2742.2 Ų42.214%0.14123%0.225CC..SBendtrans-105.5112.5170.8-68.3175.1000109L113 V184 W187 Q188 L237 T239L107-L113 HydrophobicContact CD2-CD1 4.1Å; L107-V184 HydrophobicContact CD1-CG1 4Å; L107-W187 HydrophobicContact CD1-CZ3 4.11Å; L107-Q188 HydrophobicContact CD1-CG 4.49Å; L107-L237 HydrophobicContact CD2-CD1 3.96Å; L107-L237 HydrophobicContact CG-CD1 4.48Å; L107-T239 HydrophobicContact CD2-CG2 3.99Å
108P69.6Low78.3Confident36 Ų3640.9 Ų40.923%0.23422%0.219CC..  trans-60141.9175.4-21.328.8000111.9N110 S111P108-N110 PolarHBondContact O-N 3.12Å; P108-S111 WeakPolarHBondContact CB-OG 3.38Å; P108-S111 WeakPolarHBondContact CD-OG 3.17Å; P108-S111 PolarHBondContact O-N 2.79Å; P108-S111 PolarHBondContact O-OG 3.06Å
109P68.3Low78.4Confident85 Ų8542.1 Ų42.155%0.55222%0.221SC*.THydrogen-bonded Turntrans-66.5-23.8-177.626.6-34.6000113.7
110N72.4Confident78.5Confident77 Ų7742.2 Ų42.241%0.41222%0.222SC..THydrogen-bonded Turntrans-103.331.9177.5-66.9-11.1000111.7P108 L242P108-N110 PolarHBondContact O-N 3.12Å; N110-L242 VanDerWaalsContact O-CB 3.3Å; N110-L242 WeakPolarHBondContact O-CB 3.21Å; N110-L242 PolarHBondContact O-N 2.68Å
111S77.1Confident78.7Confident14 Ų1444.5 Ų44.510%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-129.9146.617970.70000111.5P108 L240P108-S111 WeakPolarHBondContact CB-OG 3.38Å; P108-S111 WeakPolarHBondContact CD-OG 3.17Å; P108-S111 PolarHBondContact O-N 2.79Å; P108-S111 PolarHBondContact O-OG 3.06Å; S111-L240 CarbonylContact C-O 3.56Å; S111-L240 WeakPolarHBondContact CA-O 2.96Å; S111-L240 WeakPolarHBondContact CB-O 3.46Å
112E77.6Confident78.9Confident64 Ų6444.5 Ų44.530%0.29923%0.231SC..EExtended strand (participates in β ladder)trans-101.2128.5173.3-177.9-178.7153.400108.8V114 T239 L240 L242 R314E112-V114 PolarHBondContact O-N 3.43Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.24Å; E112-T239 WeakPolarHBondContact O-CB 3.47Å; E112-L240 PolarHBondContact N-O 3Å; E112-L240 PolarHBondContact O-N 2.85Å; E112-L242 HydrophobicContact CB-CD2 4.03Å; E112-R314 IonicContact OE1-CZ 3.68Å; E112-R314 IonicContact OE1-NH1 3.72Å; E112-R314 PolarHBondContact OE1-NH1 3.37Å; E112-R314 IonicContact OE1-NH2 3.69Å; E112-R314 IonicContact OE2-CZ 2.69Å; E112-R314 IonicContact OE2-NH1 3.47Å; E112-R314 PolarHBondContact OE2-NH1 3.08Å; E112-R314 IonicContact OE2-NH2 3.61Å; E112-R314 PolarHBondContact OE2-NH2 3.22Å
113L78.8Confident79.2Confident14 Ų1445.7 Ų45.77%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-73.3119.4171.8-177.973.2000109.4L107 Q115 A116 T181 V184 L237 T239L107-L113 HydrophobicContact CD2-CD1 4.1Å; L113-Q115 WeakPolarHBondContact CD1-O 3.05Å; L113-A116 HydrophobicContact CD1-CB 4.43Å; L113-A116 HydrophobicContact CD2-CB 4.42Å; L113-T181 HydrophobicContact CD2-CG2 4.47Å; L113-V184 HydrophobicContact CD2-CB 3.63Å; L113-V184 HydrophobicContact CD2-CG1 3.44Å; L113-V184 VanDerWaalsContact CD2-CG1 3.44Å; L113-L237 HydrophobicContact CD1-CB 4.36Å; L113-L237 HydrophobicContact CD1-CD2 4.27Å; L113-T239 HydrophobicContact CD1-CG2 4.07Å
114V76Confident79.7Confident29 Ų2949.7 Ų49.718%0.17625%0.252CS..EExtended strand (participates in β ladder)trans-96-41.6174.8175.70000111E112 H238 L240 L304E112-V114 PolarHBondContact O-N 3.43Å; V114-H238 PolarHBondContact N-O 2.87Å; V114-L240 HydrophobicContact CG2-CB 4.32Å; V114-L240 HydrophobicContact CG2-CD1 3.42Å; V114-L240 VanDerWaalsContact CG2-CD1 3.42Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å; V114-L304 WeakPolarHBondContact CG1-O 3.37Å
115Q78.9Confident80.5Confident42 Ų4245.5 Ų45.520%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-150.2140.2-176.9-162.7-177.923.200110.8L113 V117 T181 H238 F306L113-Q115 WeakPolarHBondContact CD1-O 3.05Å; Q115-V117 HydrophobicContact CG-CG2 3.79Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.49Å; Q115-H238 HydrophobicContact CB-CB 4.09Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.16Å; Q115-H238 PolarHBondContact O-N 2.84Å; Q115-F306 HydrophobicContact CG-CD2 4.16Å; Q115-F306 HydrophobicContact CG-CE2 4.2Å
116A85.1Confident81.8Confident0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-124.9128.7166.600000110L113 V180 T181 V184 E236 L237L113-A116 HydrophobicContact CD1-CB 4.43Å; L113-A116 HydrophobicContact CD2-CB 4.42Å; A116-V180 HydrophobicContact CB-CG2 3.99Å; A116-V180 WeakPolarHBondContact O-CG2 3.35Å; A116-V180 PolarHBondContact O-N 3.37Å; A116-T181 PolarHBondContact N-OG1 2.68Å; A116-T181 PolarHBondContact O-N 3.22Å; A116-T181 PolarHBondContact O-OG1 2.8Å; A116-V184 HydrophobicContact CB-CB 4.07Å; A116-V184 HydrophobicContact CB-CG2 3.5Å; A116-V184 VanDerWaalsContact CB-CG2 3.5Å; A116-E236 CarbonylContact C-O 3.4Å; A116-E236 WeakPolarHBondContact CA-O 3.49Å; A116-L237 HydrophobicContact CB-CD2 3.6Å
117V88.8Confident82.6Confident10 Ų1045.2 Ų45.26%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-124.8122.9-171.4178.60000109.8Q115 R119 V177 E236Q115-V117 HydrophobicContact CG-CG2 3.79Å; V117-R119 HydrophobicContact CG1-CG 4.17Å; V117-V177 HydrophobicContact CG1-CB 4.49Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; V117-E236 HydrophobicContact CB-CB 4.35Å; V117-E236 PolarHBondContact N-O 2.98Å; V117-E236 PolarHBondContact O-N 2.91Å
118L90.2Very high83.4Confident0 Ų047.4 Ų47.40%026%0.262CS..EExtended strand (participates in β ladder)trans-93.7121.3172.317767.2000109.6L99 F101 L120 V147 V177 F178 V180 L199 V201L99-L118 HydrophobicContact CD1-CD1 4.01Å; L99-L118 HydrophobicContact CD1-CD2 4.03Å; F101-L118 HydrophobicContact CE2-CD1 4.19Å; F101-L118 HydrophobicContact CZ-CD1 3.62Å; L118-L120 HydrophobicContact CD1-CD2 4.07Å; L118-L120 HydrophobicContact CD2-CD1 4.29Å; L118-L120 HydrophobicContact CD2-CD2 4.29Å; L118-L120 HydrophobicContact CD2-CG 4.3Å; L118-L120 HydrophobicContact CG-CD2 4.1Å; L118-L120 HydrophobicContact CG-CG 4.15Å; L118-V147 HydrophobicContact CD2-CG1 4.14Å; L118-V147 HydrophobicContact CD2-CG2 4.39Å; L118-V177 CarbonylContact O-C 3.59Å; L118-V177 WeakPolarHBondContact O-CA 3.17Å; L118-F178 HydrophobicContact CB-CB 4.3Å; L118-F178 PolarHBondContact N-O 3.07Å; L118-F178 PolarHBondContact O-N 3.37Å; L118-V180 HydrophobicContact CB-CG1 3.82Å; L118-V180 HydrophobicContact CB-CG2 4.03Å; L118-V180 HydrophobicContact CD2-CG1 4.43Å; L118-L199 HydrophobicContact CD2-CD1 4.17Å; L118-V201 HydrophobicContact CD2-CG2 4.18Å
119R89.5Confident84.2Confident64 Ų6448.3 Ų48.324%0.24227%0.267CS..EExtended strand (participates in β ladder)trans-107.6123.2176.2-61.6179.263.1-177.2-3.1110.3V117 W175 K176 V177 Q234 E236V117-R119 HydrophobicContact CG1-CG 4.17Å; R119-W175 HydrophobicContact CB-CE3 3.85Å; R119-W175 HydrophobicContact CB-CZ3 4.1Å; R119-K176 WeakPolarHBondContact CA-O 3.37Å; R119-V177 HydrophobicContact CG-CG2 4.46Å; R119-Q234 HydrophobicContact CB-CB 4.29Å; R119-Q234 PolarHBondContact N-O 2.81Å; R119-Q234 PolarHBondContact O-N 2.94Å; R119-E236 WeakPolarHBondContact CD-OE1 3.36Å; R119-E236 WeakPolarHBondContact CD-OE2 3.22Å; R119-E236 IonicContact CZ-OE1 3.35Å; R119-E236 IonicContact NE-OE1 2.73Å; R119-E236 IonicContact NH1-OE1 2.83Å; R119-E236 PolarHBondContact NH1-OE1 3.05Å
120L88.9Confident85Confident5 Ų545.6 Ų45.63%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-121.9130.2177.2-56.3178.6000109.5L99 L118 K176 F178 V201 F221 P233L99-L120 HydrophobicContact CD1-CD2 3.88Å; L118-L120 HydrophobicContact CD1-CD2 4.07Å; L118-L120 HydrophobicContact CD2-CD1 4.29Å; L118-L120 HydrophobicContact CD2-CD2 4.29Å; L118-L120 HydrophobicContact CD2-CG 4.3Å; L118-L120 HydrophobicContact CG-CD2 4.1Å; L118-L120 HydrophobicContact CG-CG 4.15Å; L120-K176 PolarHBondContact N-O 3.09Å; L120-K176 PolarHBondContact O-N 2.92Å; L120-F178 HydrophobicContact CB-CE2 4.46Å; L120-F178 HydrophobicContact CD1-CD2 4.12Å; L120-F178 HydrophobicContact CD1-CE2 3.83Å; L120-F178 HydrophobicContact CG-CD2 4.37Å; L120-F178 HydrophobicContact CG-CE2 4.28Å; L120-V201 HydrophobicContact CD1-CG1 3.85Å; L120-V201 HydrophobicContact CD1-CG2 4.08Å; L120-F221 HydrophobicContact CB-CD1 3.54Å; L120-F221 HydrophobicContact CB-CE1 3.79Å; L120-F221 HydrophobicContact CB-CG 4.14Å; L120-F221 HydrophobicContact CD1-CD1 4.46Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; L120-F221 HydrophobicContact CD1-CZ 4.49Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.14Å
121F88.9Confident85.6Confident52 Ų5247.7 Ų47.723%0.22826%0.255CS..EExtended strand (participates in β ladder)trans-89.1115.5178.5-174-94.1000111.1W175 F221 A222 G231F121-W175 HydrophobicContact CB-CD2 4.17Å; F121-W175 HydrophobicContact CB-CE3 3.86Å; F121-W175 HydrophobicContact CB-CH2 4.07Å; F121-W175 HydrophobicContact CB-CZ2 4.33Å; F121-W175 HydrophobicContact CB-CZ3 3.82Å; F121-W175 AromaticContact CD2-CD2 3.91Å; F121-W175 HydrophobicContact CD2-CD2 3.91Å; F121-W175 AromaticContact CD2-CE2 3.78Å; F121-W175 HydrophobicContact CD2-CE3 4.46Å; F121-W175 HydrophobicContact CD2-CG 4.14Å; F121-W175 HydrophobicContact CD2-CZ2 4.25Å; F121-W175 AromaticContact CD2-NE1 3.89Å; F121-F221 CarbonylContact O-C 3.57Å; F121-F221 VanDerWaalsContact O-CA 3.28Å; F121-F221 WeakPolarHBondContact O-CA 3.35Å; F121-A222 HydrophobicContact CB-CB 4.32Å; F121-A222 HydrophobicContact CD1-CB 4.11Å; F121-A222 PolarHBondContact O-N 2.78Å; F121-G231 VanDerWaalsContact CB-CA 3.47Å
122Q89.8Confident86Confident0 Ų054.9 Ų54.90%028%0.28CS..EExtended strand (participates in β ladder)trans-79.6121.7174.8-180177.2-19.900110.2S169 E172 G174 K176 R220 F221Q122-S169 PolarHBondContact NE2-O 2.03Å; Q122-E172 PolarHBondContact NE2-O 3.46Å; Q122-G174 PolarHBondContact N-O 2.92Å; Q122-G174 PolarHBondContact O-N 3.17Å; Q122-K176 HydrophobicContact CB-CG 4.14Å; Q122-R220 WeakPolarHBondContact CA-O 3.46Å; Q122-F221 HydrophobicContact CB-CD1 4.26Å; Q122-F221 HydrophobicContact CB-CE1 4.02Å
123E87.9Confident86.2Confident69 Ų6952.9 Ų52.932%0.32227%0.27SS..PPolyproline II helixtrans-69.2145.1178.5-63.2-177.6151.200111.6V125 R220 A222E123-V125 PolarHBondContact O-N 3.39Å; E123-R220 HydrophobicContact CB-CB 4.44Å; E123-R220 PolarHBondContact N-O 2.92Å; E123-R220 WeakPolarHBondContact OE2-CB 3.33Å; E123-A222 HydrophobicContact CG-CB 4.27Å
124P88.7Confident86.4Confident89 Ų8954 Ų5458%0.57829%0.285SS*.PPolyproline II helixtrans-67.8130.9176.128.1-33.7000111.3
125V88.2Confident86.6Confident20 Ų2061.8 Ų61.812%0.12131%0.311CS..PPolyproline II helixtrans-82.4128.5175-173.20000109.4E123 K127 T129 L130 L218E123-V125 PolarHBondContact O-N 3.39Å; V125-K127 PolarHBondContact O-N 2.87Å; V125-T129 VanDerWaalsContact CG1-OG1 3.31Å; V125-T129 WeakPolarHBondContact CG1-OG1 3.5Å; V125-L130 HydrophobicContact CB-CD1 4.22Å; V125-L130 HydrophobicContact CB-CD2 3.89Å; V125-L130 HydrophobicContact CB-CG 3.93Å; V125-L130 HydrophobicContact CG1-CD2 3.76Å; V125-L130 HydrophobicContact CG1-CG 3.75Å; V125-L218 HydrophobicContact CG1-CB 4.31Å; V125-L218 HydrophobicContact CG2-CB 4.32Å; V125-L218 WeakPolarHBondContact CG2-O 3.48Å
126P91.1Very high86.6Confident84 Ų8466.2 Ų66.255%0.54534%0.335SS..PPolyproline II helixtrans-54.6136.9178.3-27.734.6000112.9A128 T129 L130P126-A128 PolarHBondContact O-N 3.25Å; P126-A128 VanDerWaalsContact O-N 3.12Å; P126-T129 PolarHBondContact O-N 3.27Å; P126-T129 PolarHBondContact O-OG1 2.03Å; P126-L130 PolarHBondContact O-N 3.22Å; P126-L130 VanDerWaalsContact O-N 3.12Å
127K87.3Confident86.1Confident168 Ų16868 Ų6873%0.7335%0.348SS*.Hα-helixtrans-54.8-38.6-177.5-66.1-174.4179.5-1800112.8V125 T129 L130 H131V125-K127 PolarHBondContact O-N 2.87Å; K127-T129 VanDerWaalsContact C-N 3.34Å; K127-T129 PolarHBondContact O-N 2.86Å; K127-L130 PolarHBondContact O-N 2.77Å; K127-H131 PolarHBondContact O-CD2 3.24Å; K127-H131 PolarHBondContact O-N 3.19Å
128A88.4Confident85.1Confident74 Ų7472.5 Ų72.561%0.61238%0.378SS*.Hα-helixtrans-61.1-38.3178.500000113.4P126 R132P126-A128 PolarHBondContact O-N 3.25Å; P126-A128 VanDerWaalsContact O-N 3.12Å; A128-R132 PolarHBondContact O-N 3.15Å; A128-R132 VanDerWaalsContact O-N 3.12Å
129T86.4Confident84.1Confident54 Ų5482.3 Ų82.333%0.33141%0.414SS..Hα-helixtrans-75.9-36177.751.40000111.3V125 P126 K127 R132 H133V125-T129 VanDerWaalsContact CG1-OG1 3.31Å; V125-T129 WeakPolarHBondContact CG1-OG1 3.5Å; P126-T129 PolarHBondContact O-N 3.27Å; P126-T129 PolarHBondContact O-OG1 2.03Å; K127-T129 VanDerWaalsContact C-N 3.34Å; K127-T129 PolarHBondContact O-N 2.86Å; T129-R132 PolarHBondContact O-N 2.98Å; T129-H133 WeakPolarHBondContact O-CB 3.15Å; T129-H133 PolarHBondContact O-N 3.09Å
130L85.1Confident83.5Confident28 Ų2880.4 Ų80.415%0.14741%0.411CS..Hα-helixtrans-59.9-47171.1-70.7174000111.9V125 P126 K127 R132 H133 G134 V170V125-L130 HydrophobicContact CB-CD1 4.22Å; V125-L130 HydrophobicContact CB-CD2 3.89Å; V125-L130 HydrophobicContact CB-CG 3.93Å; V125-L130 HydrophobicContact CG1-CD2 3.76Å; V125-L130 HydrophobicContact CG1-CG 3.75Å; P126-L130 PolarHBondContact O-N 3.22Å; P126-L130 VanDerWaalsContact O-N 3.12Å; K127-L130 PolarHBondContact O-N 2.77Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.12Å; L130-H133 PolarHBondContact O-N 3.44Å; L130-G134 PolarHBondContact O-N 3.41Å; L130-V170 HydrophobicContact CD2-CB 4.08Å; L130-V170 HydrophobicContact CD2-CG2 3.67Å
131H85.6Confident83.3Confident121 Ų12181.2 Ų81.256%0.5642%0.419SS*.Hα-helixtrans-63-39.3176.9-69.9-56.2000112.4K127 R135K127-H131 PolarHBondContact O-CD2 3.24Å; K127-H131 PolarHBondContact O-N 3.19Å; H131-R135 PolarHBondContact O-N 3.16Å
132R85Confident83.3Confident166 Ų16684.6 Ų84.663%0.62643%0.43SS*.Hα-helixtrans-63.6-44.4174.8-173-174.6-68.3-175.7-1.9111.2A128 T129 L130 R135 L136A128-R132 PolarHBondContact O-N 3.15Å; A128-R132 VanDerWaalsContact O-N 3.12Å; T129-R132 PolarHBondContact O-N 2.98Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.12Å; R132-R135 PolarHBondContact O-N 3.13Å; R132-L136 HydrophobicContact CG-CD1 4.01Å; R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.23Å
133H82.5Confident83.3Confident21 Ų2184.6 Ų84.610%0.09743%0.43CS..Hα-helixtrans-63.5-45.4177.3179.9-83.4000112T129 L130 R135 L136 S137 S140 S213 A215 L218T129-H133 WeakPolarHBondContact O-CB 3.15Å; T129-H133 PolarHBondContact O-N 3.09Å; L130-H133 PolarHBondContact O-N 3.44Å; H133-R135 PolarHBondContact O-N 2.74Å; H133-L136 PolarHBondContact O-N 3.22Å; H133-S137 PolarHBondContact O-N 3.5Å; H133-S140 PolarHBondContact CE1-O 3.02Å; H133-S213 PolarHBondContact CE1-OG 3.42Å; H133-S213 PolarHBondContact NE2-OG 3.17Å; H133-A215 PolarHBondContact NE2-N 3.45Å; H133-L218 HydrophobicContact CB-CD1 3.77Å
134G81.3Confident83.5Confident37 Ų3785.7 Ų85.738%0.38143%0.431SS..Hα-helixtrans-57.5-34.3177.500000113.1L130L130-G134 PolarHBondContact O-N 3.41Å
135R82.1Confident83.7Confident194 Ų19481.4 Ų81.473%0.73240%0.403SS*.Hα-helixtrans-71-38.5173.2-72.3-172.1-73.8-124.31.3113.4H131 R132 H133H131-R135 PolarHBondContact O-N 3.16Å; R132-R135 PolarHBondContact O-N 3.13Å; H133-R135 PolarHBondContact O-N 2.74Å
136L78.6Confident84Confident134 Ų13480.9 Ų80.970%0.70240%0.4SS*.Hα-helixtrans-85.3-26-175.7-68.2170.9000113.5R132 H133R132-L136 HydrophobicContact CG-CD1 4.01Å; R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.23Å; H133-L136 PolarHBondContact O-N 3.22Å
137S72.9Confident84.1Confident37 Ų3776.9 Ų76.926%0.25937%0.374SS..  trans-150.271.4-172.9-67.50000110.3H133 R139H133-S137 PolarHBondContact O-N 3.5Å; S137-R139 PolarHBondContact O-N 3.4Å
138P68.4Low84.2Confident106 Ų10670.7 Ų70.769%0.68835%0.348SS*.THydrogen-bonded Turntrans-70.7-16.5-177.328.1-35000113.4
139R70.3Confident84.3Confident205 Ų20567.5 Ų67.577%0.77432%0.32SS*.THydrogen-bonded Turntrans-76.6-31.1-169.1-70.2-176.4176.3151-1.3114.4S137 L211S137-R139 PolarHBondContact O-N 3.4Å; R139-L211 VanDerWaalsContact NH1-CD2 3.25Å
140S76.4Confident84.3Confident25 Ų2565.7 Ų65.718%0.17531%0.308CS..  trans-155142.8172.592.40000112.7H133 E206 S213H133-S140 PolarHBondContact CE1-O 3.02Å; S140-E206 WeakPolarHBondContact CB-OE2 3.37Å; S140-E206 PolarHBondContact OG-OE2 2.83Å; S140-S213 VanDerWaalsContact O-CB 3.23Å; S140-S213 WeakPolarHBondContact O-CB 3.14Å; S140-S213 PolarHBondContact O-OG 3.09Å; S140-S213 WeakPolarHBondContact OG-CB 3.32Å
141A84.2Confident84.1Confident22 Ų2267 Ų6718%0.18231%0.311CS..  trans-121.926-179.900000111V170 H171A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.11Å; A141-V170 PolarHBondContact O-N 2.92Å; A141-H171 WeakPolarHBondContact CB-CE1 3.3Å
142R89.3Confident83.8Confident123 Ų12365.1 Ų65.146%0.46431%0.308SS..EExtended strand (participates in β ladder)trans-114.7147.9-177-62.2-173.3-66.7-160.5-0.4110.3V168 E206R142-V168 CarbonylContact C-O 3.47Å; R142-V168 WeakPolarHBondContact CA-O 3.39Å; R142-E206 IonicContact CZ-OE1 3.52Å; R142-E206 VanDerWaalsContact CZ-OE1 3.26Å; R142-E206 IonicContact NE-OE1 2.77Å; R142-E206 PolarHBondContact NE-OE1 3.39Å; R142-E206 IonicContact NH2-OE1 2.78Å; R142-E206 PolarHBondContact NH2-OE1 3.2Å
143A90.2Very high83.2Confident0 Ų062.8 Ų62.80%030%0.299CS..EExtended strand (participates in β ladder)trans-122.3151.1170.500000109.1L167 V168 V203 H216 V219A143-L167 CarbonylContact O-C 3.58Å; A143-L167 WeakPolarHBondContact O-CA 3.1Å; A143-V168 HydrophobicContact CB-CG2 4.34Å; A143-V168 PolarHBondContact N-O 2.88Å; A143-V168 PolarHBondContact O-N 2.85Å; A143-V203 HydrophobicContact CB-CG1 3.94Å; A143-H216 HydrophobicContact CB-CB 4.02Å; A143-V219 HydrophobicContact CB-CB 4.49Å; A143-V219 HydrophobicContact CB-CG2 3.74Å
144R92.6Very high82.5Confident91 Ų9168 Ų6834%0.34333%0.328SS..EExtended strand (participates in β ladder)trans-93.2122.9173.3-177-179.1-67.8-98.70.5108.5T146 S165 R166 L167 V203 Q204R144-T146 HydrophobicContact CG-CG2 3.97Å; R144-S165 PolarHBondContact NH1-OG 3.43Å; R144-R166 CarbonylContact C-O 3.53Å; R144-R166 WeakPolarHBondContact CA-O 3.28Å; R144-L167 HydrophobicContact CB-CD2 3.87Å; R144-L167 HydrophobicContact CG-CD2 4.38Å; R144-V203 CarbonylContact O-C 3.53Å; R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 3.03Å; R144-Q204 PolarHBondContact O-N 3.42Å
145V93Very high81.9Confident0 Ų071.6 Ų71.60%034%0.338CS..EExtended strand (participates in β ladder)trans-104.5119.8172.9-1780000107.3S165 R166 V168 F178 V201 S202 V203 F221V145-S165 CarbonylContact O-C 3.55Å; V145-S165 WeakPolarHBondContact O-CA 3.32Å; V145-R166 PolarHBondContact N-O 2.03Å; V145-R166 PolarHBondContact O-N 2.95Å; V145-V168 HydrophobicContact CG2-CB 4.49Å; V145-V168 HydrophobicContact CG2-CG1 4.09Å; V145-V168 HydrophobicContact CG2-CG2 3.56Å; V145-F178 HydrophobicContact CB-CE1 3.99Å; V145-F178 HydrophobicContact CB-CZ 3.86Å; V145-F178 HydrophobicContact CG1-CE1 3.79Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.49Å; V145-F178 VanDerWaalsContact CG1-CZ 3.49Å; V145-V201 HydrophobicContact CG1-CG1 3.73Å; V145-S202 WeakPolarHBondContact CA-O 3.29Å; V145-V203 HydrophobicContact CG2-CG1 4.49Å; V145-V203 HydrophobicContact CG2-CG2 4.4Å; V145-F221 HydrophobicContact CG1-CE2 4.09Å; V145-F221 HydrophobicContact CG1-CZ 4.23Å; V145-F221 HydrophobicContact CG2-CE2 4.04Å; V145-F221 HydrophobicContact CG2-CZ 3.96Å
146T92.8Very high81.3Confident9 Ų965 Ų656%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-109.7137.3176.9640000109.8R144 L162 D164 V201 S202R144-T146 HydrophobicContact CG-CG2 3.97Å; T146-L162 HydrophobicContact CG2-CD1 4.49Å; T146-D164 WeakPolarHBondContact CA-O 3.04Å; T146-V201 CarbonylContact O-C 3.56Å; T146-V201 WeakPolarHBondContact O-CA 3.31Å; T146-S202 PolarHBondContact N-O 2.63Å; T146-S202 PolarHBondContact O-N 3.12Å; T146-S202 PolarHBondContact OG1-OG 3.17Å
147V93.3Very high81.1Confident0 Ų060.8 Ų60.80%031%0.312CS..EExtended strand (participates in β ladder)trans-113122.6173.8-174.10000107.6L118 I163 D164 F178 V180 V201L118-V147 HydrophobicContact CD2-CG1 4.14Å; L118-V147 HydrophobicContact CD2-CG2 4.39Å; V147-I163 WeakPolarHBondContact O-CB 3.26Å; V147-I163 PolarHBondContact O-N 3.35Å; V147-D164 PolarHBondContact N-O 2.96Å; V147-D164 PolarHBondContact O-N 2.03Å; V147-F178 HydrophobicContact CG2-CB 4Å; V147-F178 HydrophobicContact CG2-CD1 3.7Å; V147-F178 HydrophobicContact CG2-CD2 4.42Å; V147-F178 HydrophobicContact CG2-CE1 4.28Å; V147-F178 HydrophobicContact CG2-CG 3.78Å; V147-V180 HydrophobicContact CG1-CG1 3.95Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å
148E90.9Very high81.5Confident37 Ų3764.1 Ų64.117%0.17333%0.327CS..EExtended strand (participates in β ladder)trans-121.9138-179.5-58.4177.7110.600109.7S161 L162 L199 Q200E148-S161 CarbonylContact C-O 3.57Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.47Å; E148-L162 HydrophobicContact CG-CD1 4.24Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.24Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.27Å; E148-Q200 PolarHBondContact O-N 3Å; E148-Q200 PolarHBondContact OE2-NE2 2.96Å
149W89.2Confident82.2Confident8 Ų865 Ų653%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-81.3124.1170177.543.1000109.7T160 S161 I163 A183 F186 W187 L190 L198 L199W149-T160 CarbonylContact O-C 3.58Å; W149-T160 VanDerWaalsContact O-CA 3.3Å; W149-T160 WeakPolarHBondContact O-CA 3.08Å; W149-S161 PolarHBondContact N-O 3.02Å; W149-S161 PolarHBondContact O-N 3.01Å; W149-I163 HydrophobicContact CB-CD1 3.82Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; W149-A183 HydrophobicContact CB-CB 4.03Å; W149-A183 HydrophobicContact CG-CB 4.21Å; W149-F186 HydrophobicContact CE3-CB 4.03Å; W149-F186 HydrophobicContact CH2-CB 3.66Å; W149-F186 HydrophobicContact CZ3-CB 3.35Å; W149-F186 HydrophobicContact CZ3-CD2 4.48Å; W149-F186 HydrophobicContact CZ3-CG 4.11Å; W149-W187 HydrophobicContact CZ2-CB 4.22Å; W149-L190 HydrophobicContact CH2-CD1 3.91Å; W149-L190 HydrophobicContact CZ3-CD1 4.33Å; W149-L198 VanDerWaalsContact CD1-O 3.3Å; W149-L199 HydrophobicContact CB-CD2 4.35Å
150L87.1Confident82.9Confident15 Ų1558.2 Ų58.28%0.07930%0.298CS..EExtended strand (participates in β ladder)trans-99.4123.9179.9-17770.5000110.2L98 N158 T160 L198L98-L150 HydrophobicContact CD1-CD2 3.71Å; L150-N158 HydrophobicContact CD1-CB 3.98Å; L150-T160 HydrophobicContact CD1-CG2 3.59Å; L150-L198 HydrophobicContact CB-CB 4Å; L150-L198 HydrophobicContact CD2-CD1 4.4Å; L150-L198 PolarHBondContact N-O 3.31Å
151R81.3Confident83.4Confident57 Ų5758.7 Ų58.722%0.21530%0.301CS..EExtended strand (participates in β ladder)trans-114.7120.6175-164.4-174.9-44.9119.718.6110.1N158 R159R151-N158 WeakPolarHBondContact O-CA 3.24Å; R151-R159 PolarHBondContact N-O 2.85Å; R151-R159 PolarHBondContact O-N 3.33Å
152V77.4Confident83.6Confident80 Ų8062.9 Ų62.949%0.48532%0.32SS..EExtended strand (participates in β ladder)trans-91.3118.1171-172.40000107.3L198V152-L198 HydrophobicContact CG2-CD1 3.86Å
153R73.2Confident83.7Confident117 Ų11758.5 Ų58.544%0.44231%0.305SS..  trans-83.2161.4175.9-77.8178.6167.3-173.5-3.1110.8D155 G156 S157R153-D155 WeakPolarHBondContact CB-OD1 3.37Å; R153-D155 PolarHBondContact O-N 2.85Å; R153-D155 VanDerWaalsContact O-N 3.12Å; R153-G156 PolarHBondContact O-N 3.38Å; R153-S157 WeakPolarHBondContact CD-OG 3.39Å; R153-S157 PolarHBondContact N-O 2.88Å
154D68.5Low83.7Confident131 Ų13159.8 Ų59.870%0.70131%0.312SS*.THydrogen-bonded Turntrans-61-19.8178.5-69.8-23.9000112.3G156 R192D154-G156 VanDerWaalsContact C-N 3.32Å; D154-R192 IonicContact OD2-CZ 3.78Å; D154-R192 IonicContact OD2-NH1 2.9Å; D154-R192 IonicContact OD2-NH2 3.66Å; D154-R192 PolarHBondContact OD2-NH2 2.67Å
155D69.1Low83.6Confident112 Ų11257.3 Ų57.360%0.59931%0.309SS*.THydrogen-bonded Turntrans-83.90.6174.863.63.8000113.9R153 S157R153-D155 WeakPolarHBondContact CB-OD1 3.37Å; R153-D155 PolarHBondContact O-N 2.85Å; R153-D155 VanDerWaalsContact O-N 3.12Å; D155-S157 VanDerWaalsContact C-N 3.25Å; D155-S157 VanDerWaalsContact CG-OG 3.23Å; D155-S157 PolarHBondContact O-N 3.4Å; D155-S157 VanDerWaalsContact OD1-CB 3.28Å; D155-S157 WeakPolarHBondContact OD1-CB 3.5Å; D155-S157 PolarHBondContact OD1-N 3.06Å; D155-S157 PolarHBondContact OD1-OG 3.13Å; D155-S157 PolarHBondContact OD2-OG 2.88Å; D155-S157 VanDerWaalsContact OD2-OG 3.13Å
156G68Low83.5Confident55 Ų5562.3 Ų62.357%0.56733%0.328SS*.SBendtrans78.12.4-176.300000114.5R153 D154R153-G156 PolarHBondContact O-N 3.38Å; D154-G156 VanDerWaalsContact C-N 3.32Å
157S75.6Confident83.4Confident46 Ų4665.4 Ų65.432%0.32234%0.344SS..  trans-79.2138.117571.40000111.5R153 D155R153-S157 WeakPolarHBondContact CD-OG 3.39Å; R153-S157 PolarHBondContact N-O 2.88Å; D155-S157 VanDerWaalsContact C-N 3.25Å; D155-S157 VanDerWaalsContact CG-OG 3.23Å; D155-S157 PolarHBondContact O-N 3.4Å; D155-S157 VanDerWaalsContact OD1-CB 3.28Å; D155-S157 WeakPolarHBondContact OD1-CB 3.5Å; D155-S157 PolarHBondContact OD1-N 3.06Å; D155-S157 PolarHBondContact OD1-OG 3.13Å; D155-S157 PolarHBondContact OD2-OG 2.88Å; D155-S157 VanDerWaalsContact OD2-OG 3.13Å
158N81.7Confident83.3Confident107 Ų10765.8 Ų65.857%0.57235%0.346SS*.EExtended strand (participates in β ladder)trans-97.1125.5177.8-71.8-15.2000109.8L150 R151L150-N158 HydrophobicContact CD1-CB 3.98Å; R151-N158 WeakPolarHBondContact O-CA 3.24Å
159R82.6Confident83.3Confident126 Ų12665.2 Ų65.248%0.47535%0.346SS..EExtended strand (participates in β ladder)trans-114.3121.6170.9-177.1168.2167.5-172.9-2109.5R151R151-R159 PolarHBondContact N-O 2.85Å; R151-R159 PolarHBondContact O-N 3.33Å
160T84.5Confident83.3Confident62 Ų6264.9 Ų64.938%0.3835%0.345SS..EExtended strand (participates in β ladder)trans-94.8153.5172.4530000110.9W149 L150W149-T160 CarbonylContact O-C 3.58Å; W149-T160 VanDerWaalsContact O-CA 3.3Å; W149-T160 WeakPolarHBondContact O-CA 3.08Å; L150-T160 HydrophobicContact CD1-CG2 3.59Å
161S86.3Confident83.3Confident34 Ų3470 Ų7024%0.23837%0.368CS..EExtended strand (participates in β ladder)trans-141123.7173.2-60.80000108.1E148 W149 I163E148-S161 CarbonylContact C-O 3.57Å; E148-S161 VanDerWaalsContact CA-O 3.23Å; E148-S161 WeakPolarHBondContact CA-O 3.47Å; W149-S161 PolarHBondContact N-O 3.02Å; W149-S161 PolarHBondContact O-N 3.01Å; S161-I163 WeakPolarHBondContact O-CG1 3.46Å; S161-I163 PolarHBondContact O-N 3.47Å
162L89Confident83.5Confident111 Ų11172.2 Ų72.258%0.58138%0.381SS*.EExtended strand (participates in β ladder)trans-65.9129.9179.2-179.567.8000109.8T146 E148T146-L162 HydrophobicContact CG2-CD1 4.49Å; E148-L162 HydrophobicContact CG-CD1 4.24Å
163I90.4Very high84Confident30 Ų3071.8 Ų71.815%0.15438%0.381CS..EExtended strand (participates in β ladder)trans-111.8-52.7-177.7-55.5-61.7000110.5V147 W149 S161 D179 V180 A183V147-I163 WeakPolarHBondContact O-CB 3.26Å; V147-I163 PolarHBondContact O-N 3.35Å; W149-I163 HydrophobicContact CB-CD1 3.82Å; W149-I163 HydrophobicContact CB-CG1 3.81Å; S161-I163 WeakPolarHBondContact O-CG1 3.46Å; S161-I163 PolarHBondContact O-N 3.47Å; I163-D179 WeakPolarHBondContact CG2-O 3.45Å; I163-V180 HydrophobicContact CG2-CB 4.42Å; I163-V180 HydrophobicContact CG2-CG1 4.35Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.93Å; I163-A183 HydrophobicContact CG2-CB 4.25Å
164D90.6Very high84.7Confident28 Ų2867 Ų6715%0.1537%0.368CS..EExtended strand (participates in β ladder)trans-143.6151.6178.8-164.7-1.4000110.3T146 V147 R166 D179T146-D164 WeakPolarHBondContact CA-O 3.04Å; V147-D164 PolarHBondContact N-O 2.96Å; V147-D164 PolarHBondContact O-N 2.03Å; D164-R166 IonicContact OD1-NE 3.75Å; D164-R166 IonicContact OD2-CZ 2.68Å; D164-R166 VanDerWaalsContact OD2-CZ 3.29Å; D164-R166 IonicContact OD2-NE 3.29Å; D164-R166 PolarHBondContact OD2-NE 3.11Å; D164-R166 IonicContact OD2-NH2 3.6Å; D164-R166 PolarHBondContact OD2-NH2 2.93Å; D164-R166 VanDerWaalsContact OD2-NH2 3.1Å; D164-D179 PolarHBondContact OD2-N 3.36Å; D164-D179 VanDerWaalsContact OD2-N 3.11Å
165S91.6Very high85.7Confident39 Ų3964.9 Ų64.927%0.27335%0.35SS..EExtended strand (participates in β ladder)trans-146.7115.1177.6160.40000110.1R144 V145R144-S165 PolarHBondContact NH1-OG 3.43Å; V145-S165 CarbonylContact O-C 3.55Å; V145-S165 WeakPolarHBondContact O-CA 3.32Å
166R90.1Very high86.6Confident104 Ų10461.2 Ų61.239%0.39233%0.329SS..EExtended strand (participates in β ladder)trans-125.9151.2-177.7-58.2-174.8-177.5-158.3-7.6112.5R144 V145 D164 V177 F178R144-R166 CarbonylContact C-O 3.53Å; R144-R166 WeakPolarHBondContact CA-O 3.28Å; V145-R166 PolarHBondContact N-O 2.03Å; V145-R166 PolarHBondContact O-N 2.95Å; D164-R166 IonicContact OD1-NE 3.75Å; D164-R166 IonicContact OD2-CZ 2.68Å; D164-R166 VanDerWaalsContact OD2-CZ 3.29Å; D164-R166 IonicContact OD2-NE 3.29Å; D164-R166 PolarHBondContact OD2-NE 3.11Å; D164-R166 IonicContact OD2-NH2 3.6Å; D164-R166 PolarHBondContact OD2-NH2 2.93Å; D164-R166 VanDerWaalsContact OD2-NH2 3.1Å; R166-V177 VanDerWaalsContact CZ-O 3.25Å; R166-V177 PolarHBondContact NH1-O 3.11Å; R166-F178 HydrophobicContact CB-CE1 3.98Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.09Å
167L90.6Very high87.7Confident75 Ų7561.7 Ų61.739%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-90.3127.6169.8-66.9178.3000109.7A143 R144 E206A143-L167 CarbonylContact O-C 3.58Å; A143-L167 WeakPolarHBondContact O-CA 3.1Å; R144-L167 HydrophobicContact CB-CD2 3.87Å; R144-L167 HydrophobicContact CG-CD2 4.38Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.4Å; L167-E206 HydrophobicContact CD2-CG 3.87Å
168V91.9Very high88.3Confident8 Ų859.5 Ų59.55%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-118.1143.9176.5-59.10000110.4R142 A143 V145 K176 V219R142-V168 CarbonylContact C-O 3.47Å; R142-V168 WeakPolarHBondContact CA-O 3.39Å; A143-V168 HydrophobicContact CB-CG2 4.34Å; A143-V168 PolarHBondContact N-O 2.88Å; A143-V168 PolarHBondContact O-N 2.85Å; V145-V168 HydrophobicContact CG2-CB 4.49Å; V145-V168 HydrophobicContact CG2-CG1 4.09Å; V145-V168 HydrophobicContact CG2-CG2 3.56Å; V168-K176 HydrophobicContact CG1-CD 4.39Å; V168-K176 HydrophobicContact CG1-CG 4.37Å; V168-V219 HydrophobicContact CG2-CG1 4.02Å; V168-V219 HydrophobicContact CG2-CG2 4.11Å
169S89.9Confident88.5Confident24 Ų2455.9 Ų55.917%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-89.6140.4177.6-179.10000111.1Q122 H171 E172Q122-S169 PolarHBondContact NE2-O 2.03Å; S169-H171 PolarHBondContact O-N 2.69Å; S169-H171 PolarHBondContact OG-N 3.22Å; S169-H171 PolarHBondContact OG-ND1 3.45Å; S169-E172 PolarHBondContact O-N 3.41Å
170V89.1Confident88.9Confident1 Ų149.9 Ų49.91%0.00626%0.263CS..THydrogen-bonded Turntrans-71.1-15.8172.9-60.90000113.3L130 A141 E172 A215 L218 V219L130-V170 HydrophobicContact CD2-CB 4.08Å; L130-V170 HydrophobicContact CD2-CG2 3.67Å; A141-V170 HydrophobicContact CB-CG2 3.91Å; A141-V170 WeakPolarHBondContact O-CG2 3.11Å; A141-V170 PolarHBondContact O-N 2.92Å; V170-E172 VanDerWaalsContact C-N 3.34Å; V170-A215 HydrophobicContact CG1-CB 3.84Å; V170-A215 WeakPolarHBondContact CG1-O 2.96Å; V170-L218 HydrophobicContact CB-CB 4.49Å; V170-L218 HydrophobicContact CG1-CB 3.98Å; V170-V219 HydrophobicContact CG1-CG2 3.72Å
171H87.4Confident88.9Confident123 Ų12347.7 Ų47.757%0.56925%0.25SS*.THydrogen-bonded Turntrans-82.5-16.6-179.3-60.895000112.9A141 S169A141-H171 WeakPolarHBondContact CB-CE1 3.3Å; S169-H171 PolarHBondContact O-N 2.69Å; S169-H171 PolarHBondContact OG-N 3.22Å; S169-H171 PolarHBondContact OG-ND1 3.45Å
172E86.8Confident88.8Confident104 Ų10450.7 Ų50.749%0.48626%0.261SS..  trans-97.1153179.1-66.2171.5-165.900109.9Q122 S169 V170 K176Q122-E172 PolarHBondContact NE2-O 3.46Å; S169-E172 PolarHBondContact O-N 3.41Å; V170-E172 VanDerWaalsContact C-N 3.34Å; E172-K176 IonicContact OE2-NZ 3.1Å; E172-K176 PolarHBondContact OE2-NZ 2.83Å
173S87.9Confident88.7Confident70 Ų7045.4 Ų45.449%0.4923%0.233SC..  trans-137.3163.8170.259.60000108.8
174G88.1Confident88.4Confident16 Ų1644 Ų4417%0.16523%0.226CC..EExtended strand (participates in β ladder)trans115.3-168.8-178.700000113.8Q122 K176Q122-G174 PolarHBondContact N-O 2.92Å; Q122-G174 PolarHBondContact O-N 3.17Å; G174-K176 PolarHBondContact O-N 3.38Å
175W88.4Confident88Confident87 Ų8745.2 Ų45.233%0.3323%0.232SC..EExtended strand (participates in β ladder)trans-70123.2-175.4-67.6105000112.1R119 F121R119-W175 HydrophobicContact CB-CE3 3.85Å; R119-W175 HydrophobicContact CB-CZ3 4.1Å; F121-W175 HydrophobicContact CB-CD2 4.17Å; F121-W175 HydrophobicContact CB-CE3 3.86Å; F121-W175 HydrophobicContact CB-CH2 4.07Å; F121-W175 HydrophobicContact CB-CZ2 4.33Å; F121-W175 HydrophobicContact CB-CZ3 3.82Å; F121-W175 AromaticContact CD2-CD2 3.91Å; F121-W175 HydrophobicContact CD2-CD2 3.91Å; F121-W175 AromaticContact CD2-CE2 3.78Å; F121-W175 HydrophobicContact CD2-CE3 4.46Å; F121-W175 HydrophobicContact CD2-CG 4.14Å; F121-W175 HydrophobicContact CD2-CZ2 4.25Å; F121-W175 AromaticContact CD2-NE1 3.89Å
176K89.1Confident87.4Confident35 Ų3547.7 Ų47.715%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-104135.6168.6-57.4-53.9-175.2-176.10108.4R119 L120 Q122 V168 E172 G174 F178 F221R119-K176 WeakPolarHBondContact CA-O 3.37Å; L120-K176 PolarHBondContact N-O 3.09Å; L120-K176 PolarHBondContact O-N 2.92Å; Q122-K176 HydrophobicContact CB-CG 4.14Å; V168-K176 HydrophobicContact CG1-CD 4.39Å; V168-K176 HydrophobicContact CG1-CG 4.37Å; E172-K176 IonicContact OE2-NZ 3.1Å; E172-K176 PolarHBondContact OE2-NZ 2.83Å; G174-K176 PolarHBondContact O-N 3.38Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.31Å; K176-F221 HydrophobicContact CB-CE1 4.27Å; K176-F221 HydrophobicContact CG-CE1 4.15Å
177V89.6Confident87.1Confident65 Ų6544.2 Ų44.239%0.39423%0.225SC..EExtended strand (participates in β ladder)trans-116.2133.1-170.9-174.70000108.2V117 L118 R119 R166V117-V177 HydrophobicContact CG1-CB 4.49Å; V117-V177 HydrophobicContact CG1-CG1 3.14Å; L118-V177 CarbonylContact O-C 3.59Å; L118-V177 WeakPolarHBondContact O-CA 3.17Å; R119-V177 HydrophobicContact CG-CG2 4.46Å; R166-V177 VanDerWaalsContact CZ-O 3.25Å; R166-V177 PolarHBondContact NH1-O 3.11Å
178F90Very high86.6Confident1 Ų145.2 Ų45.20%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-129.5137.8179.2-60.6-90.6000109.4L118 L120 V145 V147 R166 K176L118-F178 HydrophobicContact CB-CB 4.3Å; L118-F178 PolarHBondContact N-O 3.07Å; L118-F178 PolarHBondContact O-N 3.37Å; L120-F178 HydrophobicContact CB-CE2 4.46Å; L120-F178 HydrophobicContact CD1-CD2 4.12Å; L120-F178 HydrophobicContact CD1-CE2 3.83Å; L120-F178 HydrophobicContact CG-CD2 4.37Å; L120-F178 HydrophobicContact CG-CE2 4.28Å; V145-F178 HydrophobicContact CB-CE1 3.99Å; V145-F178 HydrophobicContact CB-CZ 3.86Å; V145-F178 HydrophobicContact CG1-CE1 3.79Å; V145-F178 HydrophobicContact CG1-CE2 4.36Å; V145-F178 HydrophobicContact CG1-CZ 3.49Å; V145-F178 VanDerWaalsContact CG1-CZ 3.49Å; V147-F178 HydrophobicContact CG2-CB 4Å; V147-F178 HydrophobicContact CG2-CD1 3.7Å; V147-F178 HydrophobicContact CG2-CD2 4.42Å; V147-F178 HydrophobicContact CG2-CE1 4.28Å; V147-F178 HydrophobicContact CG2-CG 3.78Å; R166-F178 HydrophobicContact CB-CE1 3.98Å; R166-F178 HydrophobicContact CG-CD1 4.16Å; R166-F178 HydrophobicContact CG-CE1 4.09Å; K176-F178 HydrophobicContact CB-CE2 3.85Å; K176-F178 HydrophobicContact CB-CZ 4.31Å
179D85.5Confident85.8Confident30 Ų3050 Ų5016%0.1625%0.25CC..EExtended strand (participates in β ladder)trans-82.4123.5175.7-172.8-9.8000109.1I163 D164 T181 F306I163-D179 WeakPolarHBondContact CG2-O 3.45Å; D164-D179 PolarHBondContact OD2-N 3.36Å; D164-D179 VanDerWaalsContact OD2-N 3.11Å; D179-T181 WeakPolarHBondContact OD1-CB 3.37Å; D179-T181 PolarHBondContact OD1-N 2.86Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; D179-F306 WeakPolarHBondContact OD2-CE2 3.3Å; D179-F306 WeakPolarHBondContact OD2-CZ 2.96Å
180V89.4Confident84.9Confident0 Ų053.5 Ų53.50%027%0.266CS..  trans-125.219179-620000112A116 L118 V147 I163 E182 A183 V184 L199 L235A116-V180 HydrophobicContact CB-CG2 3.99Å; A116-V180 WeakPolarHBondContact O-CG2 3.35Å; A116-V180 PolarHBondContact O-N 3.37Å; L118-V180 HydrophobicContact CB-CG1 3.82Å; L118-V180 HydrophobicContact CB-CG2 4.03Å; L118-V180 HydrophobicContact CD2-CG1 4.43Å; V147-V180 HydrophobicContact CG1-CG1 3.95Å; I163-V180 HydrophobicContact CG2-CB 4.42Å; I163-V180 HydrophobicContact CG2-CG1 4.35Å; V180-E182 VanDerWaalsContact C-N 3.32Å; V180-E182 PolarHBondContact O-N 2.92Å; V180-A183 HydrophobicContact CB-CB 4.41Å; V180-A183 WeakPolarHBondContact O-CB 3.22Å; V180-A183 PolarHBondContact O-N 3.38Å; V180-A183 VanDerWaalsContact O-N 3.08Å; V180-V184 PolarHBondContact O-N 3Å; V180-V184 VanDerWaalsContact O-N 3.12Å; V180-L199 HydrophobicContact CB-CD1 4.35Å; V180-L199 HydrophobicContact CG1-CD1 4.07Å; V180-L199 HydrophobicContact CG2-CD1 4.46Å; V180-L235 HydrophobicContact CG2-CD1 3.53Å
181T84.6Confident83.8Confident16 Ų1654.9 Ų54.910%0.09828%0.275CS..Hα-helixtrans-54.7-46.3-178.2-53.30000111.8L113 Q115 A116 D179 A183 V184 N185L113-T181 HydrophobicContact CD2-CG2 4.47Å; Q115-T181 WeakPolarHBondContact CA-OG1 3.49Å; A116-T181 PolarHBondContact N-OG1 2.68Å; A116-T181 PolarHBondContact O-N 3.22Å; A116-T181 PolarHBondContact O-OG1 2.8Å; D179-T181 WeakPolarHBondContact OD1-CB 3.37Å; D179-T181 PolarHBondContact OD1-N 2.86Å; D179-T181 PolarHBondContact OD1-OG1 2.87Å; T181-A183 VanDerWaalsContact C-N 3.35Å; T181-A183 PolarHBondContact O-N 3.01Å; T181-V184 PolarHBondContact O-N 3.41Å; T181-N185 WeakPolarHBondContact O-CB 3.03Å; T181-N185 PolarHBondContact O-N 3Å
182E84.3Confident82.7Confident98 Ų9856 Ų5646%0.45828%0.275SS..Hα-helixtrans-59.9-43.8177.2-67.8-170.1174.500112.2V180 V184 N185 F186V180-E182 VanDerWaalsContact C-N 3.32Å; V180-E182 PolarHBondContact O-N 2.92Å; E182-V184 VanDerWaalsContact C-N 3.32Å; E182-V184 PolarHBondContact O-N 2.89Å; E182-N185 PolarHBondContact O-N 2.87Å; E182-F186 HydrophobicContact CB-CD2 4.27Å; E182-F186 HydrophobicContact CB-CE2 4.03Å; E182-F186 WeakPolarHBondContact O-CD2 3.46Å; E182-F186 WeakPolarHBondContact O-CG 3.03Å; E182-F186 PolarHBondContact O-N 3.11Å
183A87.8Confident81.4Confident0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-60.6-42.5179.500000111.7W149 I163 V180 T181 W187 L199W149-A183 HydrophobicContact CB-CB 4.03Å; W149-A183 HydrophobicContact CG-CB 4.21Å; I163-A183 HydrophobicContact CD1-CB 3.84Å; I163-A183 HydrophobicContact CG1-CB 3.93Å; I163-A183 HydrophobicContact CG2-CB 4.25Å; V180-A183 HydrophobicContact CB-CB 4.41Å; V180-A183 WeakPolarHBondContact O-CB 3.22Å; V180-A183 PolarHBondContact O-N 3.38Å; V180-A183 VanDerWaalsContact O-N 3.08Å; T181-A183 VanDerWaalsContact C-N 3.35Å; T181-A183 PolarHBondContact O-N 3.01Å; A183-W187 WeakPolarHBondContact O-CB 3.3Å; A183-W187 PolarHBondContact O-N 2.86Å; A183-L199 HydrophobicContact CB-CD2 4Å
184V84.9Confident80.3Confident0 Ų063.1 Ų63.10%030%0.302CS..Hα-helixtrans-70-40.7178.5-176.30000111.2M103 L107 L113 A116 V180 T181 E182 W187 Q188 L197 L237M103-V184 HydrophobicContact CE-CG1 4.03Å; L107-V184 HydrophobicContact CD1-CG1 4Å; L113-V184 HydrophobicContact CD2-CB 3.63Å; L113-V184 HydrophobicContact CD2-CG1 3.44Å; L113-V184 VanDerWaalsContact CD2-CG1 3.44Å; A116-V184 HydrophobicContact CB-CB 4.07Å; A116-V184 HydrophobicContact CB-CG2 3.5Å; A116-V184 VanDerWaalsContact CB-CG2 3.5Å; V180-V184 PolarHBondContact O-N 3Å; V180-V184 VanDerWaalsContact O-N 3.12Å; T181-V184 PolarHBondContact O-N 3.41Å; E182-V184 VanDerWaalsContact C-N 3.32Å; E182-V184 PolarHBondContact O-N 2.89Å; V184-W187 PolarHBondContact O-N 3.48Å; V184-Q188 WeakPolarHBondContact O-CB 3.44Å; V184-Q188 PolarHBondContact O-N 3.49Å; V184-L197 HydrophobicContact CG2-CD2 3.88Å; V184-L237 HydrophobicContact CG1-CD2 4.32Å; V184-L237 HydrophobicContact CG2-CD2 4.23Å
185N80.6Confident79.7Confident54 Ų5466 Ų6629%0.28931%0.311SS..Hα-helixtrans-60.6-48.2174.8-83.1-24.9000112T181 E182 W187 Q188 Q189T181-N185 WeakPolarHBondContact O-CB 3.03Å; T181-N185 PolarHBondContact O-N 3Å; E182-N185 PolarHBondContact O-N 2.87Å; N185-W187 VanDerWaalsContact C-N 3.34Å; N185-W187 PolarHBondContact O-N 3.24Å; N185-Q188 PolarHBondContact O-N 3.13Å; N185-Q189 WeakPolarHBondContact O-CG 3.37Å; N185-Q189 PolarHBondContact O-N 2.95Å; N185-Q189 VanDerWaalsContact O-N 3.13Å
186F79.8Confident79.6Confident91 Ų9164.3 Ų64.340%0.39931%0.311SS..Hα-helixtrans-65.2-39.3176.6-70.4-57000112W149 E182 Q188 Q189 L190W149-F186 HydrophobicContact CE3-CB 4.03Å; W149-F186 HydrophobicContact CH2-CB 3.66Å; W149-F186 HydrophobicContact CZ3-CB 3.35Å; W149-F186 HydrophobicContact CZ3-CD2 4.48Å; W149-F186 HydrophobicContact CZ3-CG 4.11Å; E182-F186 HydrophobicContact CB-CD2 4.27Å; E182-F186 HydrophobicContact CB-CE2 4.03Å; E182-F186 WeakPolarHBondContact O-CD2 3.46Å; E182-F186 WeakPolarHBondContact O-CG 3.03Å; E182-F186 PolarHBondContact O-N 3.11Å; F186-Q188 VanDerWaalsContact C-N 3.32Å; F186-Q188 PolarHBondContact O-N 3.33Å; F186-Q189 PolarHBondContact O-N 2.91Å; F186-L190 HydrophobicContact CB-CD1 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.41Å; F186-L190 PolarHBondContact O-N 3.32Å
187W83.6Confident79.5Confident30 Ų3062.6 Ų62.611%0.11430%0.304CS..Hα-helixtrans-59.4-44.3173.717489.9000110.7M103 L107 W149 A183 V184 N185 Q189 S191 Q195 L197M103-W187 HydrophobicContact CB-CD2 4.47Å; M103-W187 HydrophobicContact CB-CE3 4.37Å; M103-W187 HydrophobicContact CB-CH2 3.21Å; M103-W187 HydrophobicContact CB-CZ2 3.3Å; M103-W187 HydrophobicContact CB-CZ3 3.77Å; M103-W187 HydrophobicContact CE-CE3 4.4Å; M103-W187 HydrophobicContact CE-CZ3 4.32Å; M103-W187 HydrophobicContact CG-CD2 4.31Å; M103-W187 HydrophobicContact CG-CE3 4.41Å; M103-W187 HydrophobicContact CG-CH2 4.06Å; M103-W187 HydrophobicContact CG-CZ2 3.92Å; M103-W187 HydrophobicContact CG-CZ3 4.27Å; L107-W187 HydrophobicContact CD1-CZ3 4.11Å; W149-W187 HydrophobicContact CZ2-CB 4.22Å; A183-W187 WeakPolarHBondContact O-CB 3.3Å; A183-W187 PolarHBondContact O-N 2.86Å; V184-W187 PolarHBondContact O-N 3.48Å; N185-W187 VanDerWaalsContact C-N 3.34Å; N185-W187 PolarHBondContact O-N 3.24Å; W187-Q189 VanDerWaalsContact C-N 3.33Å; W187-Q189 PolarHBondContact O-N 2.65Å; W187-S191 WeakPolarHBondContact CA-OG 3.43Å; W187-S191 PolarHBondContact NE1-OG 3.33Å; W187-S191 WeakPolarHBondContact O-CA 3.4Å; W187-S191 WeakPolarHBondContact O-CB 3.28Å; W187-S191 PolarHBondContact O-N 2.9Å; W187-S191 PolarHBondContact O-OG 3.38Å; W187-Q195 WeakPolarHBondContact CZ2-O 3.18Å; W187-Q195 PolarHBondContact NE1-O 2.92Å; W187-Q195 VanDerWaalsContact NE1-O 3.11Å; W187-L197 HydrophobicContact CB-CD1 3.74Å; W187-L197 HydrophobicContact CG-CB 4.36Å; W187-L197 HydrophobicContact CG-CD1 3.91Å
188Q79.2Confident79.5Confident96 Ų9660.9 Ų60.945%0.44929%0.293SS..Hα-helixtrans-62.2-37.5178.8-173.4178.61200113L107 V184 N185 F186L107-Q188 HydrophobicContact CD1-CG 4.49Å; V184-Q188 WeakPolarHBondContact O-CB 3.44Å; V184-Q188 PolarHBondContact O-N 3.49Å; N185-Q188 PolarHBondContact O-N 3.13Å; F186-Q188 VanDerWaalsContact C-N 3.32Å; F186-Q188 PolarHBondContact O-N 3.33Å
189Q75.6Confident79.5Confident110 Ų11060.9 Ų60.951%0.51429%0.292SS..Hα-helixtrans-77.4-38.8-178.3-68.1173.215.100113.3N185 F186 W187N185-Q189 WeakPolarHBondContact O-CG 3.37Å; N185-Q189 PolarHBondContact O-N 2.95Å; N185-Q189 VanDerWaalsContact O-N 3.13Å; F186-Q189 PolarHBondContact O-N 2.91Å; W187-Q189 VanDerWaalsContact C-N 3.33Å; W187-Q189 PolarHBondContact O-N 2.65Å
190L72.2Confident79.8Confident97 Ų9761.7 Ų61.751%0.50830%0.295SS..Hα-helixtrans-101.9-21.5-168.9-67.6164.6000113.7W149 F186W149-L190 HydrophobicContact CH2-CD1 3.91Å; W149-L190 HydrophobicContact CZ3-CD1 4.33Å; F186-L190 HydrophobicContact CB-CD1 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.41Å; F186-L190 PolarHBondContact O-N 3.32Å
191S64.8Low79.9Confident29 Ų2961.8 Ų61.820%0.20330%0.296CS..PPolyproline II helixtrans-86.4138.1-169.5-50.60000111.6W187W187-S191 WeakPolarHBondContact CA-OG 3.43Å; W187-S191 PolarHBondContact NE1-OG 3.33Å; W187-S191 WeakPolarHBondContact O-CA 3.4Å; W187-S191 WeakPolarHBondContact O-CB 3.28Å; W187-S191 PolarHBondContact O-N 2.9Å; W187-S191 PolarHBondContact O-OG 3.38Å
192R64.1Low80.2Confident148 Ų14861.3 Ų61.356%0.55829%0.293SS*.PPolyproline II helixtrans-69.7155.1171.6-66.5-174-172152.913.8110D154 R194 Q195D154-R192 IonicContact OD2-CZ 3.78Å; D154-R192 IonicContact OD2-NH1 2.9Å; D154-R192 IonicContact OD2-NH2 3.66Å; D154-R192 PolarHBondContact OD2-NH2 2.67Å; R192-R194 PolarHBondContact O-N 3.05Å; R192-Q195 PolarHBondContact O-N 3.46Å
193P59.2Low80.6Confident123 Ų12356.8 Ų56.880%0.79927%0.272SS*.THydrogen-bonded Turntrans-50.9134.6171.818.7-30.3000110.5
194R65.3Low80.7Confident200 Ų20061.2 Ų61.276%0.75529%0.293SS*.THydrogen-bonded Turntrans81.84.1177.8-50.1176.9174.31690.9118E104 R192E104-R194 IonicContact OE1-NE 3.77Å; R192-R194 PolarHBondContact O-N 3.05Å
195Q76.4Confident80.8Confident76 Ų7666.4 Ų66.436%0.35531%0.313SS..PPolyproline II helixtrans-81.5133.1173-69.1-176.7-1.500111.5W187 R192W187-Q195 WeakPolarHBondContact CZ2-O 3.18Å; W187-Q195 PolarHBondContact NE1-O 2.92Å; W187-Q195 VanDerWaalsContact NE1-O 3.11Å; R192-Q195 PolarHBondContact O-N 3.46Å
196P85.9Confident81Confident51 Ų5164.6 Ų64.633%0.33130%0.303SS..PPolyproline II helixtrans-73.4157.7175.631.9-35.1000111.5V100 F101 L198V100-P196 HydrophobicContact CG1-CB 3.68Å; V100-P196 HydrophobicContact CG1-CG 3.97Å; F101-P196 CarbonylContact O-C 3.47Å; F101-P196 VanDerWaalsContact O-CA 3.24Å; F101-P196 WeakPolarHBondContact O-CA 3.44Å; F101-P196 VanDerWaalsContact O-CB 3.22Å; F101-P196 WeakPolarHBondContact O-CB 3.24Å; P196-L198 HydrophobicContact CG-CD2 4.21Å
197L87.5Confident81.1Confident0 Ų066 Ų660%031%0.31CS..EExtended strand (participates in β ladder)trans-81.2126.3167175.275.7000108.7F101 M103 V184 W187 L199 L235F101-L197 HydrophobicContact CB-CB 4.24Å; F101-L197 HydrophobicContact CD2-CD2 4.46Å; F101-L197 PolarHBondContact N-O 2.89Å; F101-L197 PolarHBondContact O-N 2.89Å; M103-L197 HydrophobicContact CG-CB 3.56Å; M103-L197 HydrophobicContact SD-CB 4.11Å; M103-L197 HydrophobicContact SD-CD2 4.34Å; V184-L197 HydrophobicContact CG2-CD2 3.88Å; W187-L197 HydrophobicContact CB-CD1 3.74Å; W187-L197 HydrophobicContact CG-CB 4.36Å; W187-L197 HydrophobicContact CG-CD1 3.91Å; L197-L199 HydrophobicContact CD1-CD2 4.39Å; L197-L199 HydrophobicContact CD2-CD1 4.24Å; L197-L199 HydrophobicContact CD2-CG 4.29Å; L197-L199 HydrophobicContact CG-CD2 4.37Å; L197-L199 HydrophobicContact CG-CG 4.23Å; L197-L235 HydrophobicContact CD2-CD2 3.83Å
198L89.1Confident80.4Confident29 Ų2970.9 Ų70.915%0.15235%0.346CS..EExtended strand (participates in β ladder)trans-110.5118.8179.8-56.3175000109.6L99 V100 W149 L150 V152 P196L99-L198 WeakPolarHBondContact O-CA 3.44Å; V100-L198 HydrophobicContact CB-CD2 3.96Å; V100-L198 HydrophobicContact CG1-CD2 3.72Å; V100-L198 HydrophobicContact CG2-CD2 3.33Å; W149-L198 VanDerWaalsContact CD1-O 3.3Å; L150-L198 HydrophobicContact CB-CB 4Å; L150-L198 HydrophobicContact CD2-CD1 4.4Å; L150-L198 PolarHBondContact N-O 3.31Å; V152-L198 HydrophobicContact CG2-CD1 3.86Å; P196-L198 HydrophobicContact CG-CD2 4.21Å
199L90.9Very high80.1Confident0 Ų067.9 Ų67.90%034%0.34CS..EExtended strand (participates in β ladder)trans-117.8125.2176.3-61.7178.8000109.4L99 F101 L118 E148 W149 V180 A183 L197L99-L199 HydrophobicContact CB-CB 4.37Å; L99-L199 WeakPolarHBondContact CB-O 3.09Å; L99-L199 PolarHBondContact N-O 2.72Å; L99-L199 PolarHBondContact O-N 2.95Å; F101-L199 HydrophobicContact CD2-CD1 4.33Å; F101-L199 HydrophobicContact CE2-CD1 3.93Å; F101-L199 HydrophobicContact CE2-CG 4.39Å; L118-L199 HydrophobicContact CD2-CD1 4.17Å; E148-L199 CarbonylContact O-C 3.57Å; E148-L199 WeakPolarHBondContact O-CA 3.24Å; W149-L199 HydrophobicContact CB-CD2 4.35Å; V180-L199 HydrophobicContact CB-CD1 4.35Å; V180-L199 HydrophobicContact CG1-CD1 4.07Å; V180-L199 HydrophobicContact CG2-CD1 4.46Å; A183-L199 HydrophobicContact CB-CD2 4Å; L197-L199 HydrophobicContact CD1-CD2 4.39Å; L197-L199 HydrophobicContact CD2-CD1 4.24Å; L197-L199 HydrophobicContact CD2-CG 4.29Å; L197-L199 HydrophobicContact CG-CD2 4.37Å; L197-L199 HydrophobicContact CG-CG 4.23Å
200Q91Very high79.6Confident48 Ų4869 Ų6922%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-96.6120.8173.1-179.7174.5-71.100108.8T96 E148T96-Q200 HydrophobicContact CG2-CG 3.74Å; E148-Q200 HydrophobicContact CB-CB 4.41Å; E148-Q200 PolarHBondContact N-O 3.27Å; E148-Q200 PolarHBondContact O-N 3Å; E148-Q200 PolarHBondContact OE2-NE2 2.96Å
201V91.6Very high79.4Confident1 Ų171 Ų711%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-106.5124.3175.5-177.60000108T96 H97 L99 L118 L120 V145 T146 V147T96-V201 CarbonylContact C-O 3.59Å; T96-V201 WeakPolarHBondContact CA-O 3.38Å; H97-V201 HydrophobicContact CB-CB 4.08Å; H97-V201 WeakPolarHBondContact CB-O 2.95Å; H97-V201 PolarHBondContact N-O 2.95Å; H97-V201 PolarHBondContact O-N 3.06Å; L99-V201 HydrophobicContact CD1-CG2 3.71Å; L99-V201 HydrophobicContact CG-CG2 4.29Å; L118-V201 HydrophobicContact CD2-CG2 4.18Å; L120-V201 HydrophobicContact CD1-CG1 3.85Å; L120-V201 HydrophobicContact CD1-CG2 4.08Å; V145-V201 HydrophobicContact CG1-CG1 3.73Å; T146-V201 CarbonylContact O-C 3.56Å; T146-V201 WeakPolarHBondContact O-CA 3.31Å; V147-V201 HydrophobicContact CG2-CG2 4.38Å
202S91.3Very high79.6Confident7 Ų770.8 Ų70.85%0.04937%0.368CS..EExtended strand (participates in β ladder)trans-124.3138.4177.688.70000111.8S95 V145 T146 Q204S95-S202 CarbonylContact O-C 3.57Å; S95-S202 WeakPolarHBondContact O-CA 3.06Å; V145-S202 WeakPolarHBondContact CA-O 3.29Å; T146-S202 PolarHBondContact N-O 2.63Å; T146-S202 PolarHBondContact O-N 3.12Å; T146-S202 PolarHBondContact OG1-OG 3.17Å; S202-Q204 PolarHBondContact OG-NE2 3.13Å
203V91.3Very high80.3Confident3 Ų364.3 Ų64.32%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-106106.4178.9-171.10000109S95 A143 R144 V145 H216 V219 F221S95-V203 WeakPolarHBondContact CB-O 3.07Å; S95-V203 PolarHBondContact O-N 2.88Å; A143-V203 HydrophobicContact CB-CG1 3.94Å; R144-V203 CarbonylContact O-C 3.53Å; V145-V203 HydrophobicContact CG2-CG1 4.49Å; V145-V203 HydrophobicContact CG2-CG2 4.4Å; V203-H216 HydrophobicContact CG1-CB 4.02Å; V203-V219 HydrophobicContact CG1-CB 3.97Å; V203-V219 HydrophobicContact CG1-CG1 4.2Å; V203-F221 HydrophobicContact CG2-CD2 4.39Å; V203-F221 HydrophobicContact CG2-CE2 3.99Å
204Q90.1Very high81.4Confident93 Ų9359.6 Ų59.644%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-111.1167-174.8-56.7-176.310.600111.5R144 S202 H216R144-Q204 HydrophobicContact CB-CB 4.49Å; R144-Q204 PolarHBondContact N-O 3.03Å; R144-Q204 PolarHBondContact O-N 3.42Å; S202-Q204 PolarHBondContact OG-NE2 3.13Å; Q204-H216 WeakPolarHBondContact O-CB 3.36Å
205R87.4Confident82.4Confident108 Ų10850 Ų5041%0.40828%0.282SS..EExtended strand (participates in β ladder)trans-64.8149.8171.5-61.6-178.2-163.9176.74109.7H207 G209 A212 H216R205-H207 VanDerWaalsContact C-N 3.27Å; R205-H207 WeakPolarHBondContact CB-O 3.18Å; R205-H207 PolarHBondContact O-N 2.97Å; R205-G209 PolarHBondContact NH1-O 3.44Å; R205-A212 HydrophobicContact CB-CB 4.29Å; R205-A212 HydrophobicContact CG-CB 4.48Å; R205-H216 WeakPolarHBondContact CG-ND1 3.44Å; R205-H216 PolarHBondContact NE-CE1 2.83Å
206E85.6Confident82.9Confident17 Ų1747.7 Ų47.78%0.07927%0.271CS..SBendtrans-59-41.1174.8-173.7-178.6-175.300111.9S140 R142 L167S140-E206 WeakPolarHBondContact CB-OE2 3.37Å; S140-E206 PolarHBondContact OG-OE2 2.83Å; R142-E206 IonicContact CZ-OE1 3.52Å; R142-E206 VanDerWaalsContact CZ-OE1 3.26Å; R142-E206 IonicContact NE-OE1 2.77Å; R142-E206 PolarHBondContact NE-OE1 3.39Å; R142-E206 IonicContact NH2-OE1 2.78Å; R142-E206 PolarHBondContact NH2-OE1 3.2Å; L167-E206 HydrophobicContact CD1-CG 4.31Å; L167-E206 HydrophobicContact CD2-CB 4.4Å; L167-E206 HydrophobicContact CD2-CG 3.87Å
207H80.3Confident82.9Confident120 Ų12052 Ų5256%0.55629%0.285SS*.SBendtrans-129.6141.4176.4-62.488.3000110.4R205 A212R205-H207 VanDerWaalsContact C-N 3.27Å; R205-H207 WeakPolarHBondContact CB-O 3.18Å; R205-H207 PolarHBondContact O-N 2.97Å; H207-A212 WeakPolarHBondContact O-CB 3.39Å
208P70.4Confident82.9Confident133 Ų13354 Ų5486%0.86430%0.295SS*.  trans-72131.9168.327-29.5000110.3
209G71.4Confident82.9Confident32 Ų3252.9 Ų52.933%0.3329%0.29SS..SBendtrans151.2166.4175.400000115R205 L211 A212R205-G209 PolarHBondContact NH1-O 3.44Å; G209-L211 VanDerWaalsContact C-N 3.33Å; G209-L211 PolarHBondContact O-N 3.35Å; G209-A212 WeakPolarHBondContact O-CB 3.17Å; G209-A212 PolarHBondContact O-N 2.85Å
210P66.8Low82.7Confident134 Ų13460.4 Ų60.487%0.8732%0.318SS*.THydrogen-bonded Turntrans-71.2-24.9-179.825.9-32.3000113.6A212P210-A212 VanDerWaalsContact C-N 3.31Å
211L68Low82.5Confident140 Ų14059 Ų5973%0.73331%0.311SS*.THydrogen-bonded Turntrans-87.44.3175-79130.7000113.7R139 G209R139-L211 VanDerWaalsContact NH1-CD2 3.25Å; G209-L211 VanDerWaalsContact C-N 3.33Å; G209-L211 PolarHBondContact O-N 3.35Å
212A69.2Low82Confident24 Ų2459.2 Ų59.220%0.19831%0.313CS..  trans-73.9139.1-176.100000112R205 H207 G209 P210R205-A212 HydrophobicContact CB-CB 4.29Å; R205-A212 HydrophobicContact CG-CB 4.48Å; H207-A212 WeakPolarHBondContact O-CB 3.39Å; G209-A212 WeakPolarHBondContact O-CB 3.17Å; G209-A212 PolarHBondContact O-N 2.85Å; P210-A212 VanDerWaalsContact C-N 3.31Å
213S78.8Confident81.1Confident11 Ų1161.6 Ų61.68%0.07733%0.33CS..  trans-59.6139.7-179-179.10000113.1H133 S140 A215 H216H133-S213 PolarHBondContact CE1-OG 3.42Å; H133-S213 PolarHBondContact NE2-OG 3.17Å; S140-S213 VanDerWaalsContact O-CB 3.23Å; S140-S213 WeakPolarHBondContact O-CB 3.14Å; S140-S213 PolarHBondContact O-OG 3.09Å; S140-S213 WeakPolarHBondContact OG-CB 3.32Å; S213-A215 PolarHBondContact O-N 3.1Å; S213-A215 WeakPolarHBondContact OG-CB 3.47Å; S213-A215 PolarHBondContact OG-N 3.47Å; S213-H216 PolarHBondContact O-ND1 2.79Å
214G82.1Confident79.5Confident24 Ų2466.2 Ų66.225%0.24735%0.351CS..G310 helixtrans-733.1172.900000114.4H216 K217G214-H216 PolarHBondContact O-N 2.87Å; G214-H216 VanDerWaalsContact O-N 3.11Å; G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 3.16Å
215A85.3Confident77.7Confident0 Ų065.2 Ų65.20%037%0.367CS..G310 helixtrans-51.7-35.2-174.300000114.4H133 V170 S213 K217 L218 V219H133-A215 PolarHBondContact NE2-N 3.45Å; V170-A215 HydrophobicContact CG1-CB 3.84Å; V170-A215 WeakPolarHBondContact CG1-O 2.96Å; S213-A215 PolarHBondContact O-N 3.1Å; S213-A215 WeakPolarHBondContact OG-CB 3.47Å; S213-A215 PolarHBondContact OG-N 3.47Å; A215-K217 PolarHBondContact O-N 2.93Å; A215-K217 VanDerWaalsContact O-N 3.12Å; A215-L218 WeakPolarHBondContact O-CB 3.3Å; A215-L218 PolarHBondContact O-N 3.02Å; A215-V219 PolarHBondContact O-N 3.24Å
216H86.8Confident76.1Confident26 Ų2661.6 Ų61.612%0.1236%0.36CS..G310 helixtrans-53.1-31175.767.7-71.3000114.2A143 V203 Q204 R205 S213 G214 L218A143-H216 HydrophobicContact CB-CB 4.02Å; V203-H216 HydrophobicContact CG1-CB 4.02Å; Q204-H216 WeakPolarHBondContact O-CB 3.36Å; R205-H216 WeakPolarHBondContact CG-ND1 3.44Å; R205-H216 PolarHBondContact NE-CE1 2.83Å; S213-H216 PolarHBondContact O-ND1 2.79Å; G214-H216 PolarHBondContact O-N 2.87Å; G214-H216 VanDerWaalsContact O-N 3.11Å; H216-L218 PolarHBondContact O-N 3.25Å
217K87Confident74.2Confident143 Ų14366.7 Ų66.762%0.62239%0.394SS*.G310 helixtrans-72.9-17.9178.7-59.7-177.7178.5-178.10113.5G214 A215G214-K217 WeakPolarHBondContact O-CB 3.44Å; G214-K217 PolarHBondContact O-N 3.16Å; A215-K217 PolarHBondContact O-N 2.93Å; A215-K217 VanDerWaalsContact O-N 3.12Å
218L87.4Confident72.8Confident40 Ų4065.3 Ų65.321%0.20940%0.403CS..THydrogen-bonded Turntrans-94.1-21-178.6-58.7177.8000112.1V125 H133 V170 A215 H216 R220V125-L218 HydrophobicContact CG1-CB 4.31Å; V125-L218 HydrophobicContact CG2-CB 4.32Å; V125-L218 WeakPolarHBondContact CG2-O 3.48Å; H133-L218 HydrophobicContact CB-CD1 3.77Å; V170-L218 HydrophobicContact CB-CB 4.49Å; V170-L218 HydrophobicContact CG1-CB 3.98Å; A215-L218 WeakPolarHBondContact O-CB 3.3Å; A215-L218 PolarHBondContact O-N 3.02Å; H216-L218 PolarHBondContact O-N 3.25Å; L218-R220 PolarHBondContact O-N 3.42Å
219V88.5Confident72.2Confident7 Ų761.1 Ų61.14%0.04239%0.385CS..  trans-77.1119.7176.3178.30000108.5A143 V168 V170 V203 A215 F221A143-V219 HydrophobicContact CB-CB 4.49Å; A143-V219 HydrophobicContact CB-CG2 3.74Å; V168-V219 HydrophobicContact CG2-CG1 4.02Å; V168-V219 HydrophobicContact CG2-CG2 4.11Å; V170-V219 HydrophobicContact CG1-CG2 3.72Å; V203-V219 HydrophobicContact CG1-CB 3.97Å; V203-V219 HydrophobicContact CG1-CG1 4.2Å; A215-V219 PolarHBondContact O-N 3.24Å; V219-F221 HydrophobicContact CG1-CE2 4.07Å; V219-F221 HydrophobicContact CG1-CZ 4.15Å
220R87.6Confident71.6Confident158 Ų15865.2 Ų65.260%0.59640%0.398SS*.  trans-130.3139.8176.3-65.1-178.7-178.1166.6-2.3109.3Q122 E123 L218Q122-R220 WeakPolarHBondContact CA-O 3.46Å; E123-R220 HydrophobicContact CB-CB 4.44Å; E123-R220 PolarHBondContact N-O 2.92Å; E123-R220 WeakPolarHBondContact OE2-CB 3.33Å; L218-R220 PolarHBondContact O-N 3.42Å
221F86.8Confident71.5Confident17 Ų1758.9 Ų58.98%0.07536%0.357CS..BIsolated β-bridgetrans-104.5139.1172.5-66.3-71.6000109.2L120 F121 Q122 V145 K176 V203 V219L120-F221 HydrophobicContact CB-CD1 3.54Å; L120-F221 HydrophobicContact CB-CE1 3.79Å; L120-F221 HydrophobicContact CB-CG 4.14Å; L120-F221 HydrophobicContact CD1-CD1 4.46Å; L120-F221 HydrophobicContact CD1-CE1 4.46Å; L120-F221 HydrophobicContact CD1-CG 4.48Å; L120-F221 HydrophobicContact CD1-CZ 4.49Å; F121-F221 CarbonylContact O-C 3.57Å; F121-F221 VanDerWaalsContact O-CA 3.28Å; F121-F221 WeakPolarHBondContact O-CA 3.35Å; Q122-F221 HydrophobicContact CB-CD1 4.26Å; Q122-F221 HydrophobicContact CB-CE1 4.02Å; V145-F221 HydrophobicContact CG1-CE2 4.09Å; V145-F221 HydrophobicContact CG1-CZ 4.23Å; V145-F221 HydrophobicContact CG2-CE2 4.04Å; V145-F221 HydrophobicContact CG2-CZ 3.96Å; K176-F221 HydrophobicContact CB-CE1 4.27Å; K176-F221 HydrophobicContact CG-CE1 4.15Å; V203-F221 HydrophobicContact CG2-CD2 4.39Å; V203-F221 HydrophobicContact CG2-CE2 3.99Å; V219-F221 HydrophobicContact CG1-CE2 4.07Å; V219-F221 HydrophobicContact CG1-CZ 4.15Å
222A80.8Confident72Confident6 Ų655 Ų555%0.0534%0.335CS..  trans-59.5140.9175.700000110.1F121 E123 G231F121-A222 HydrophobicContact CB-CB 4.32Å; F121-A222 HydrophobicContact CD1-CB 4.11Å; F121-A222 PolarHBondContact O-N 2.78Å; E123-A222 HydrophobicContact CG-CB 4.27Å; A222-G231 VanDerWaalsContact CB-O 3.31Å; A222-G231 WeakPolarHBondContact CB-O 3.34Å
223S71.4Confident72.8Confident58 Ų5854.1 Ų54.141%0.40633%0.328SS..  trans-124.6166.2178.562.90000109.8G225 A226S223-G225 PolarHBondContact O-N 2.94Å; S223-A226 PolarHBondContact O-N 3.29Å
224Q58.3Low73.1Confident99 Ų9955.7 Ų55.746%0.46333%0.334SS..THydrogen-bonded Turntrans-54.797.2179-86.2178.5-14.800110.4E232Q224-E232 HydrophobicContact CG-CG 4.13Å
225G52Low73.3Confident73 Ų7354.6 Ų54.675%0.75332%0.322SS*.THydrogen-bonded Turntrans154-13.4-170.400000114.9S223S223-G225 PolarHBondContact O-N 2.94Å
226A53.4Low73.4Confident32 Ų3256.1 Ų56.126%0.26433%0.329SS..SBendtrans-67.7137.3171.800000111.3S223 A228 G229 L230S223-A226 PolarHBondContact O-N 3.29Å; A226-A228 PolarHBondContact O-N 2.85Å; A226-G229 PolarHBondContact O-N 2.88Å; A226-L230 WeakPolarHBondContact CB-O 3.45Å
227P46.3Very low73.2Confident124 Ų12455.6 Ų55.681%0.80533%0.327SS*.THydrogen-bonded Turntrans-62.7124-177.623.4-30000109.9
228A51.5Low72.9Confident90 Ų9051 Ų5174%0.74431%0.308SS*.THydrogen-bonded Turntrans8422.3179.200000118.7A226 L230A226-A228 PolarHBondContact O-N 2.85Å; A228-L230 HydrophobicContact CB-CD1 3.92Å; A228-L230 PolarHBondContact O-N 3.39Å
229G56.9Low72.5Confident46 Ų4651.3 Ų51.347%0.47431%0.312SS..SBendtrans64.93176.200000114A226 G231A226-G229 PolarHBondContact O-N 2.88Å; G229-G231 PolarHBondContact O-N 3.28Å
230L57.8Low72.1Confident118 Ų11851.2 Ų51.262%0.61831%0.311SS*.THydrogen-bonded Turntrans-69.6109.4174.6-91.4136.1000108.6A226 A228A226-L230 WeakPolarHBondContact CB-O 3.45Å; A228-L230 HydrophobicContact CB-CD1 3.92Å; A228-L230 PolarHBondContact O-N 3.39Å
231G66.4Low71.7Confident1 Ų147.6 Ų47.61%0.0130%0.304CS..THydrogen-bonded Turntrans106.29.1171.700000115.8F121 A222 G229F121-G231 VanDerWaalsContact CB-CA 3.47Å; A222-G231 VanDerWaalsContact CB-O 3.31Å; A222-G231 WeakPolarHBondContact CB-O 3.34Å; G229-G231 PolarHBondContact O-N 3.28Å
232E78.8Confident71.4Confident58 Ų5850 Ų5027%0.27132%0.317SS..  trans-58.4143.2167.8-68.5-169.5-178.900111Q224 Q234Q224-E232 HydrophobicContact CG-CG 4.13Å; E232-Q234 PolarHBondContact O-N 3.12Å
233P85.2Confident71.4Confident6 Ų651.7 Ų51.74%0.03934%0.335CS..  trans-59.9120.5173.8-25.535.6000111.6G87 L99 L120G87-P233 PolarHBondContact N-O 3.13Å; L99-P233 HydrophobicContact CD1-CB 4.14Å; L99-P233 HydrophobicContact CD2-CB 4Å; L99-P233 HydrophobicContact CD2-CG 3.71Å; L120-P233 HydrophobicContact CD2-CB 3.78Å; L120-P233 HydrophobicContact CD2-CG 4.14Å
234Q85.7Confident71.8Confident44 Ų4452.9 Ų52.921%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-109.2130.2179.7-64.8179.1-39.300110.2E84 R119 E232E84-Q234 PolarHBondContact OE2-NE2 3.15Å; R119-Q234 HydrophobicContact CB-CB 4.29Å; R119-Q234 PolarHBondContact N-O 2.81Å; R119-Q234 PolarHBondContact O-N 2.94Å; E232-Q234 PolarHBondContact O-N 3.12Å
235L86.4Confident72.8Confident0 Ų050.5 Ų50.50%032%0.324CS..EExtended strand (participates in β ladder)trans-103.9112.8167-179.467000108.9V85 F101 M103 V180 L197 L237V85-L235 HydrophobicContact CB-CB 4.35Å; V85-L235 PolarHBondContact N-O 2.81Å; V85-L235 PolarHBondContact O-N 3.43Å; F101-L235 HydrophobicContact CB-CD2 4.13Å; F101-L235 HydrophobicContact CD1-CB 3.59Å; F101-L235 HydrophobicContact CD1-CD2 4Å; F101-L235 HydrophobicContact CD1-CG 4.46Å; F101-L235 HydrophobicContact CD2-CD2 4.35Å; F101-L235 HydrophobicContact CE1-CB 3.46Å; F101-L235 VanDerWaalsContact CE1-CB 3.46Å; F101-L235 HydrophobicContact CG-CB 4.29Å; F101-L235 HydrophobicContact CG-CD2 3.9Å; F101-L235 HydrophobicContact CZ-CB 4.07Å; M103-L235 HydrophobicContact CE-CD2 4.29Å; M103-L235 HydrophobicContact SD-CD2 3.86Å; V180-L235 HydrophobicContact CG2-CD1 3.53Å; L197-L235 HydrophobicContact CD2-CD2 3.83Å; L235-L237 HydrophobicContact CD1-CD2 4.33Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 3.99Å; L235-L237 HydrophobicContact CG-CG 4.43Å
236E85.6Confident74.3Confident32 Ų3247.3 Ų47.315%0.1529%0.291CS..EExtended strand (participates in β ladder)trans-97.1129.3175.9-68.6177.7177.600109.3A116 V117 R119A116-E236 CarbonylContact C-O 3.4Å; A116-E236 WeakPolarHBondContact CA-O 3.49Å; V117-E236 HydrophobicContact CB-CB 4.35Å; V117-E236 PolarHBondContact N-O 2.98Å; V117-E236 PolarHBondContact O-N 2.91Å; R119-E236 WeakPolarHBondContact CD-OE1 3.36Å; R119-E236 WeakPolarHBondContact CD-OE2 3.22Å; R119-E236 IonicContact CZ-OE1 3.35Å; R119-E236 IonicContact NE-OE1 2.73Å; R119-E236 IonicContact NH1-OE1 2.83Å; R119-E236 PolarHBondContact NH1-OE1 3.05Å
237L84.1Confident75.9Confident15 Ų1547.2 Ų47.28%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-117.7116.7-179.4-57.7176.3000108.6F82 M103 R106 L107 L113 A116 V184 L235F82-L237 VanDerWaalsContact CE2-O 3.31Å; F82-L237 WeakPolarHBondContact CE2-O 3.32Å; M103-L237 HydrophobicContact CE-CD1 3.89Å; R106-L237 HydrophobicContact CB-CD1 4.41Å; L107-L237 HydrophobicContact CD2-CD1 3.96Å; L107-L237 HydrophobicContact CG-CD1 4.48Å; L113-L237 HydrophobicContact CD1-CB 4.36Å; L113-L237 HydrophobicContact CD1-CD2 4.27Å; A116-L237 HydrophobicContact CB-CD2 3.6Å; V184-L237 HydrophobicContact CG1-CD2 4.32Å; V184-L237 HydrophobicContact CG2-CD2 4.23Å; L235-L237 HydrophobicContact CD1-CD2 4.33Å; L235-L237 HydrophobicContact CD2-CD2 4.19Å; L235-L237 HydrophobicContact CG-CD2 3.99Å; L235-L237 HydrophobicContact CG-CG 4.43Å
238H79.6Confident77.7Confident46 Ų4647.3 Ų47.321%0.21328%0.28CS..EExtended strand (participates in β ladder)trans-99.3118.1173.3-59.6-78.4000109V114 Q115 L304V114-H238 PolarHBondContact N-O 2.87Å; Q115-H238 HydrophobicContact CB-CB 4.09Å; Q115-H238 PolarHBondContact N-O 3.05Å; Q115-H238 VanDerWaalsContact N-O 3.16Å; Q115-H238 PolarHBondContact O-N 2.84Å; H238-L304 HydrophobicContact CB-CD2 3.8Å
239T80.3Confident79.4Confident47 Ų4744.8 Ų44.829%0.28826%0.263SS..EExtended strand (participates in β ladder)trans-124.5150-177.958.40000110L107 E112 L113L107-T239 HydrophobicContact CD2-CG2 3.99Å; E112-T239 CarbonylContact O-C 3.59Å; E112-T239 WeakPolarHBondContact O-CA 3.24Å; E112-T239 WeakPolarHBondContact O-CB 3.47Å; L113-T239 HydrophobicContact CD1-CG2 4.07Å
240L78.3Confident80.8Confident6 Ų646.8 Ų46.83%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-100.2137.3168.4-66.6171.3000109.2S111 E112 V114 L242 Y245 P300S111-L240 CarbonylContact C-O 3.56Å; S111-L240 WeakPolarHBondContact CA-O 2.96Å; S111-L240 WeakPolarHBondContact CB-O 3.46Å; E112-L240 PolarHBondContact N-O 3Å; E112-L240 PolarHBondContact O-N 2.85Å; V114-L240 HydrophobicContact CG2-CB 4.32Å; V114-L240 HydrophobicContact CG2-CD1 3.42Å; V114-L240 VanDerWaalsContact CG2-CD1 3.42Å; V114-L240 HydrophobicContact CG2-CG 3.45Å; V114-L240 VanDerWaalsContact CG2-CG 3.45Å; L240-L242 PolarHBondContact O-N 2.88Å; L240-Y245 HydrophobicContact CB-CD2 4.11Å; L240-Y245 HydrophobicContact CB-CG 4.11Å; L240-Y245 HydrophobicContact CD1-CD1 4.39Å; L240-Y245 HydrophobicContact CD1-CG 4.34Å; L240-Y245 HydrophobicContact CD2-CD1 3.96Å; L240-Y245 HydrophobicContact CD2-CD2 3.91Å; L240-Y245 HydrophobicContact CD2-CE1 3.98Å; L240-Y245 HydrophobicContact CD2-CE2 3.95Å; L240-Y245 HydrophobicContact CD2-CG 3.92Å; L240-Y245 HydrophobicContact CG-CG 4.33Å; L240-P300 HydrophobicContact CD1-CB 4.12Å; L240-P300 HydrophobicContact CD2-CB 4.22Å
241D80.6Confident82.2Confident82 Ų8242.4 Ų42.444%0.43924%0.241SC..EExtended strand (participates in β ladder)trans-73.6118.3171-167.3-16.9000109.2G243 D244 Y245D241-G243 PolarHBondContact O-N 3.42Å; D241-G243 WeakPolarHBondContact OD1-CA 3.4Å; D241-G243 PolarHBondContact OD1-N 3.2Å; D241-D244 PolarHBondContact O-N 3.21Å; D241-Y245 PolarHBondContact O-N 2.9Å
242L81Confident83Confident66 Ų6647 Ų4735%0.34627%0.266SS..Hα-helixtrans-66-18.2176-65.6174.6000111.7N110 E112 L240 D244 G246N110-L242 VanDerWaalsContact O-CB 3.3Å; N110-L242 WeakPolarHBondContact O-CB 3.21Å; N110-L242 PolarHBondContact O-N 2.68Å; E112-L242 HydrophobicContact CB-CD2 4.03Å; L240-L242 PolarHBondContact O-N 2.88Å; L242-D244 VanDerWaalsContact C-N 3.25Å; L242-D244 PolarHBondContact O-N 3.42Å; L242-G246 WeakPolarHBondContact O-CA 3.42Å; L242-G246 PolarHBondContact O-N 3.48Å
243G80.1Confident82.9Confident42 Ų4250.2 Ų50.243%0.43329%0.291SS..Hα-helixtrans-62.6-27.7170.100000113.8D241 R262D241-G243 PolarHBondContact O-N 3.42Å; D241-G243 WeakPolarHBondContact OD1-CA 3.4Å; D241-G243 PolarHBondContact OD1-N 3.2Å; G243-R262 VanDerWaalsContact C-NH2 3.34Å; G243-R262 PolarHBondContact O-NH1 2.59Å; G243-R262 PolarHBondContact O-NH2 2.89Å
244D78.5Confident82.5Confident83 Ų8358.4 Ų58.444%0.44433%0.329SS..Hα-helixtrans-112.8-42-179.3-68-30.1000112.4D241 L242 R262D241-D244 PolarHBondContact O-N 3.21Å; L242-D244 VanDerWaalsContact C-N 3.25Å; L242-D244 PolarHBondContact O-N 3.42Å; D244-R262 VanDerWaalsContact C-NH2 3.3Å; D244-R262 PolarHBondContact O-NH2 2.86Å
245Y80.8Confident82.1Confident50 Ų5058.8 Ų58.820%0.19634%0.34CS..Hα-helixtrans-98.7-5.8-175.5-65.4-91.4000113.6L240 D241 Q298 C353L240-Y245 HydrophobicContact CB-CD2 4.11Å; L240-Y245 HydrophobicContact CB-CG 4.11Å; L240-Y245 HydrophobicContact CD1-CD1 4.39Å; L240-Y245 HydrophobicContact CD1-CG 4.34Å; L240-Y245 HydrophobicContact CD2-CD1 3.96Å; L240-Y245 HydrophobicContact CD2-CD2 3.91Å; L240-Y245 HydrophobicContact CD2-CE1 3.98Å; L240-Y245 HydrophobicContact CD2-CE2 3.95Å; L240-Y245 HydrophobicContact CD2-CG 3.92Å; L240-Y245 HydrophobicContact CG-CG 4.33Å; D241-Y245 PolarHBondContact O-N 2.9Å; Y245-Q298 HydrophobicContact CD1-CB 3.96Å; Y245-Q298 HydrophobicContact CE1-CB 4.31Å; Y245-C353 WeakPolarHBondContact O-CB 3Å
246G83.8Confident81.7Confident6 Ų663.8 Ų63.86%0.06237%0.372CS..SBendtrans-99.4-180176.600000113.3L242 R262L242-G246 WeakPolarHBondContact O-CA 3.42Å; L242-G246 PolarHBondContact O-N 3.48Å; G246-R262 PolarHBondContact O-NH2 3.36Å; G246-R262 VanDerWaalsContact O-NH2 3.07Å
247A85.9Confident81.3Confident29 Ų2965.2 Ų65.224%0.2438%0.383CS..  trans-75.4145.6177.500000111.8G249 C263 C351A247-G249 VanDerWaalsContact C-N 3.27Å; A247-G249 PolarHBondContact O-N 3.05Å; A247-C263 CarbonylContact C-O 3.51Å; A247-C263 WeakPolarHBondContact CA-O 3.32Å; A247-C263 HydrophobicContact CB-CB 4.15Å; A247-C263 VanDerWaalsContact CB-O 3.28Å; A247-C263 WeakPolarHBondContact CB-O 3.3Å; A247-C351 HydrophobicContact CB-CB 4.26Å; A247-C351 WeakPolarHBondContact CB-O 3.46Å
248Q85.2Confident81.1Confident126 Ų12668.5 Ų68.559%0.58940%0.404SS*.  trans-78.6-5.9-175.8-174.8168.9-400113.6R262 C263 C264Q248-R262 HydrophobicContact CB-CB 4.45Å; Q248-C263 PolarHBondContact N-O 2.81Å; Q248-C264 HydrophobicContact CB-CB 4.39Å
249G85.6Confident80.5Confident38 Ų3875.1 Ų75.139%0.39244%0.435SS..SBendtrans93-133.6-171.200000110.1A247 C264 R265A247-G249 VanDerWaalsContact C-N 3.27Å; A247-G249 PolarHBondContact O-N 3.05Å; G249-C264 CarbonylContact O-C 3.51Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.49Å; G249-C264 WeakPolarHBondContact O-CB 3.5Å; G249-R265 PolarHBondContact O-N 3.44Å
250D86.6Confident80.3Confident87 Ų8776 Ų7647%0.46545%0.454SS..BIsolated β-bridgetrans-79.7142.1177.2-64.1-28.9000111.1R265D250-R265 CarbonylContact C-O 3.44Å; D250-R265 WeakPolarHBondContact CA-O 3.47Å; D250-R265 VanDerWaalsContact CG-NH2 3.34Å; D250-R265 WeakPolarHBondContact OD1-CB 3.18Å; D250-R265 IonicContact OD1-CZ 2.8Å; D250-R265 IonicContact OD1-NE 3.16Å; D250-R265 PolarHBondContact OD1-NE 2.82Å; D250-R265 IonicContact OD1-NH2 2.81Å; D250-R265 PolarHBondContact OD1-NH2 2.79Å; D250-R265 IonicContact OD2-NH2 3.05Å; D250-R265 PolarHBondContact OD2-NH2 2.8Å
251C87.4Confident80.5Confident26 Ų2677 Ų7718%0.17646%0.46CS..PPolyproline II helixtrans-69.6149.3176.5-53.70000110.5P253 C264 R265 V294C251-P253 WeakPolarHBondContact O-CD 3.38Å; C251-C264 VanDerWaalsContact CA-SG 3.56Å; C251-C264 HydrophobicContact CB-CB 3.99Å; C251-C264 WeakPolarHBondContact CB-SG 3.35Å; C251-C264 WeakPolarHBondContact SG-CB 3.38Å; C251-C264 CovalentContact SG-SG 2.03Å; C251-C264 PolarHBondContact SG-SG 3.19Å; C251-R265 PolarHBondContact N-O 2.81Å; C251-V294 VanDerWaalsContact SG-CG2 3.54Å
252D83.3Confident80.9Confident98 Ų9876.1 Ų76.152%0.52445%0.451SS..PPolyproline II helixtrans-71.6119.2170.1-173.5-16.5000109.3E254 A255D252-E254 PolarHBondContact O-N 3.08Å; D252-E254 PolarHBondContact OD1-N 3.11Å; D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 3.01Å
253P76.4Confident81.5Confident125 Ų12573 Ų7381%0.81244%0.435SS*.THydrogen-bonded Turntrans-65.9-19.8-177.627.6-35.8000113.5C251C251-P253 WeakPolarHBondContact O-CD 3.38Å
254E76.8Confident81.9Confident179 Ų17971.1 Ų71.184%0.83641%0.414SS*.THydrogen-bonded Turntrans-88.2-16-179.4-60.3-172.517600112.7D252D252-E254 PolarHBondContact O-N 3.08Å; D252-E254 PolarHBondContact OD1-N 3.11Å
255A77.7Confident82.4Confident52 Ų5268.7 Ų68.743%0.4340%0.399SS..SBendtrans-98.3127-178.800000111.3D252 V257D252-A255 HydrophobicContact CB-CB 4.06Å; D252-A255 PolarHBondContact O-N 3.01Å; A255-V257 PolarHBondContact O-N 3.3Å
256P77.6Confident82.7Confident104 Ų10470.1 Ų70.168%0.67541%0.408SS*.  trans-67.3135.9175.626.6-32.3000110.9T258P256-T258 PolarHBondContact O-N 3.22Å; P256-T258 VanDerWaalsContact O-N 3.12Å
257V78.3Confident82.7Confident62 Ų6276.1 Ų76.138%0.37643%0.434SS..  trans-67.6111.2172.7-175.90000108.4A255 T261 V294A255-V257 PolarHBondContact O-N 3.3Å; V257-T261 HydrophobicContact CG1-CG2 4.31Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.1Å; V257-V294 HydrophobicContact CG2-CG2 3.98Å
258T79.7Confident82.6Confident85 Ų8576.9 Ų76.952%0.52143%0.433SS..  trans-114.4170.2177.456.40000110.7P256 G260 T261P256-T258 PolarHBondContact O-N 3.22Å; P256-T258 VanDerWaalsContact O-N 3.12Å; T258-G260 PolarHBondContact O-N 2.82Å; T258-T261 PolarHBondContact N-OG1 2.9Å; T258-T261 VanDerWaalsContact O-CB 3.24Å; T258-T261 WeakPolarHBondContact O-CB 2.95Å; T258-T261 PolarHBondContact O-N 3.05Å; T258-T261 PolarHBondContact O-OG1 3.44Å; T258-T261 PolarHBondContact OG1-OG1 3.33Å
259E67.6Low82.5Confident184 Ų18477.3 Ų77.386%0.8643%0.43SS*.THydrogen-bonded Turntrans-56.3-25.8179.3-66.4-176.716600113.8T296E259-T296 PolarHBondContact O-OG1 3.38Å; E259-T296 VanDerWaalsContact O-OG1 3.13Å
260G75Confident82.4Confident67 Ų6776 Ų7669%0.69141%0.414SS*.THydrogen-bonded Turntrans-87.30.9175.800000115.2T258 R262T258-G260 PolarHBondContact O-N 2.82Å; G260-R262 PolarHBondContact O-N 2.85Å
261T83.7Confident82.2Confident26 Ų2675.3 Ų75.316%0.1641%0.411CS..  trans-73.8123.8-179.4-54.10000109.4V257 T258 G295 T296V257-T261 HydrophobicContact CG1-CG2 4.31Å; T258-T261 PolarHBondContact N-OG1 2.9Å; T258-T261 VanDerWaalsContact O-CB 3.24Å; T258-T261 WeakPolarHBondContact O-CB 2.95Å; T258-T261 PolarHBondContact O-N 3.05Å; T258-T261 PolarHBondContact O-OG1 3.44Å; T258-T261 PolarHBondContact OG1-OG1 3.33Å; T261-G295 CarbonylContact O-C 3.5Å; T261-G295 VanDerWaalsContact O-CA 3.31Å; T261-G295 WeakPolarHBondContact O-CA 3.28Å; T261-T296 PolarHBondContact O-N 2.91Å
262R89Confident82Confident64 Ų6474.2 Ų74.224%0.24240%0.403CS..BIsolated β-bridgetrans-66.9145.2176.7-65.2-178.559.4-174.8-12.5109.8G243 D244 G246 Q248 G260 C264G243-R262 VanDerWaalsContact C-NH2 3.34Å; G243-R262 PolarHBondContact O-NH1 2.59Å; G243-R262 PolarHBondContact O-NH2 2.89Å; D244-R262 VanDerWaalsContact C-NH2 3.3Å; D244-R262 PolarHBondContact O-NH2 2.86Å; G246-R262 PolarHBondContact O-NH2 3.36Å; G246-R262 VanDerWaalsContact O-NH2 3.07Å; Q248-R262 HydrophobicContact CB-CB 4.45Å; G260-R262 PolarHBondContact O-N 2.85Å; R262-C264 PolarHBondContact O-N 3.08Å; R262-C264 VanDerWaalsContact O-N 3.09Å
263C91.8Very high81.8Confident1 Ų176.7 Ų76.71%0.00741%0.411CS..SBendtrans-43.6117.5178.6177.70000111.8A247 Q248 V294 T296 C316A247-C263 CarbonylContact C-O 3.51Å; A247-C263 WeakPolarHBondContact CA-O 3.32Å; A247-C263 HydrophobicContact CB-CB 4.15Å; A247-C263 VanDerWaalsContact CB-O 3.28Å; A247-C263 WeakPolarHBondContact CB-O 3.3Å; Q248-C263 PolarHBondContact N-O 2.81Å; C263-V294 CarbonylContact C-O 3.59Å; C263-V294 VanDerWaalsContact CA-O 3.29Å; C263-V294 WeakPolarHBondContact CA-O 2.99Å; C263-T296 PolarHBondContact N-O 2.84Å; C263-C316 VanDerWaalsContact CA-SG 3.53Å; C263-C316 HydrophobicContact CB-CB 3.68Å; C263-C316 WeakPolarHBondContact CB-SG 3.31Å; C263-C316 VanDerWaalsContact SG-CA 3.55Å; C263-C316 WeakPolarHBondContact SG-CB 3.46Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 2.85Å
264C89.9Confident82Confident1 Ų173.5 Ų73.51%0.00740%0.401CS..EExtended strand (participates in β ladder)trans-145.1162.1-17862.70000110.6Q248 G249 C251 R262 V294Q248-C264 HydrophobicContact CB-CB 4.39Å; G249-C264 CarbonylContact O-C 3.51Å; G249-C264 VanDerWaalsContact O-CA 3.24Å; G249-C264 WeakPolarHBondContact O-CA 3.49Å; G249-C264 WeakPolarHBondContact O-CB 3.5Å; C251-C264 VanDerWaalsContact CA-SG 3.56Å; C251-C264 HydrophobicContact CB-CB 3.99Å; C251-C264 WeakPolarHBondContact CB-SG 3.35Å; C251-C264 WeakPolarHBondContact SG-CB 3.38Å; C251-C264 CovalentContact SG-SG 2.03Å; C251-C264 PolarHBondContact SG-SG 3.19Å; R262-C264 PolarHBondContact O-N 3.08Å; R262-C264 VanDerWaalsContact O-N 3.09Å; C264-V294 PolarHBondContact N-O 3.34Å; C264-V294 PolarHBondContact O-N 3.44Å
265R89.6Confident82.4Confident32 Ų3266.8 Ų66.812%0.12137%0.37CS..EExtended strand (participates in β ladder)trans-93.2116.3177.9-173.7178.263.6163.5-2.6109G249 D250 C251 Y291 E292 V348 Q349 C351G249-R265 PolarHBondContact O-N 3.44Å; D250-R265 CarbonylContact C-O 3.44Å; D250-R265 WeakPolarHBondContact CA-O 3.47Å; D250-R265 VanDerWaalsContact CG-NH2 3.34Å; D250-R265 WeakPolarHBondContact OD1-CB 3.18Å; D250-R265 IonicContact OD1-CZ 2.8Å; D250-R265 IonicContact OD1-NE 3.16Å; D250-R265 PolarHBondContact OD1-NE 2.82Å; D250-R265 IonicContact OD1-NH2 2.81Å; D250-R265 PolarHBondContact OD1-NH2 2.79Å; D250-R265 IonicContact OD2-NH2 3.05Å; D250-R265 PolarHBondContact OD2-NH2 2.8Å; C251-R265 PolarHBondContact N-O 2.81Å; R265-Y291 HydrophobicContact CG-CD1 3.88Å; R265-Y291 HydrophobicContact CG-CG 4.12Å; R265-E292 CarbonylContact C-O 3.59Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; R265-V348 WeakPolarHBondContact CD-O 3.5Å; R265-V348 HydrophobicContact CG-CG1 4.29Å; R265-V348 PolarHBondContact NH1-O 3.46Å; R265-V348 VanDerWaalsContact NH1-O 3.14Å; R265-Q349 PolarHBondContact NH1-O 2.81Å; R265-C351 VanDerWaalsContact CB-SG 3.58Å
266Q86.2Confident82.8Confident81 Ų8173.9 Ų73.938%0.37939%0.391SS..EExtended strand (participates in β ladder)trans-96.6140.4178-172.1170.810.500110.3Y291 E292 V294Q266-Y291 CarbonylContact O-C 3.46Å; Q266-Y291 WeakPolarHBondContact O-CA 3.49Å; Q266-Y291 WeakPolarHBondContact O-CB 2.99Å; Q266-E292 PolarHBondContact N-O 3.46Å; Q266-E292 PolarHBondContact O-N 2.93Å; Q266-V294 HydrophobicContact CB-CG1 4.32Å; Q266-V294 HydrophobicContact CB-CG2 3.84Å
267E83.9Confident83.3Confident132 Ų13271.1 Ų71.162%0.61737%0.367SS*.PPolyproline II helixtrans-69.4130.3174.8-57.8-164158.800110.8Y291E267-Y291 HydrophobicContact CB-CD1 4.41Å; E267-Y291 HydrophobicContact CB-CE1 4.41Å; E267-Y291 HydrophobicContact CG-CD1 4.08Å; E267-Y291 HydrophobicContact CG-CE1 3.74Å
268M83.2Confident83.6Confident45 Ų4568.4 Ų68.422%0.22235%0.351CS..  trans-136.5118.1175-178.6-172.1-70.500108.2A21 L289 A290 Y291 E292A21-M268 HydrophobicContact CB-CE 3.74Å; M268-L289 CarbonylContact O-C 3.57Å; M268-L289 WeakPolarHBondContact O-CA 3.48Å; M268-A290 PolarHBondContact O-N 3.03Å; M268-Y291 PolarHBondContact O-N 2.94Å; M268-E292 HydrophobicContact CE-CB 3.81Å; M268-E292 HydrophobicContact CE-CG 4.35Å; M268-E292 WeakPolarHBondContact CE-OE2 3.08Å
269Y84Confident83.8Confident135 Ų13568.8 Ų68.853%0.52935%0.35SS..EExtended strand (participates in β ladder)trans-97.5130.5177.1-175.1-101000110.7D271 G287 F288 L289Y269-D271 HydrophobicContact CD1-CB 4.33Å; Y269-D271 HydrophobicContact CE1-CB 3.84Å; Y269-G287 WeakPolarHBondContact OH-CA 3.43Å; Y269-F288 WeakPolarHBondContact CD2-O 3.46Å; Y269-L289 HydrophobicContact CD2-CD2 3.97Å; Y269-L289 HydrophobicContact CD2-CG 4.29Å
270I83.1Confident84.4Confident10 Ų1062.3 Ų62.35%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-108.9112.8175.1-60.9-175.9000107.8L22 L272 M275 G287 F288 A290L22-I270 HydrophobicContact CB-CD1 4.34Å; L22-I270 HydrophobicContact CD2-CD1 3.53Å; I270-L272 HydrophobicContact CG2-CD2 4.17Å; I270-M275 HydrophobicContact CG2-CE 3.43Å; I270-M275 VanDerWaalsContact CG2-CE 3.43Å; I270-G287 CarbonylContact O-C 3.58Å; I270-G287 WeakPolarHBondContact O-CA 3.47Å; I270-F288 HydrophobicContact CB-CD1 4.29Å; I270-F288 HydrophobicContact CB-CE1 3.88Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.37Å; I270-F288 HydrophobicContact CD1-CZ 3.8Å; I270-F288 HydrophobicContact CG1-CZ 4.41Å; I270-F288 HydrophobicContact CG2-CE1 3.99Å; I270-F288 HydrophobicContact CG2-CZ 4.47Å; I270-F288 PolarHBondContact N-O 3.06Å; I270-F288 PolarHBondContact O-N 2.96Å; I270-A290 HydrophobicContact CD1-CB 3.7Å; I270-A290 HydrophobicContact CG1-CB 4.1Å
271D82.6Confident85Confident73 Ų7359.1 Ų59.139%0.3929%0.289SS..EExtended strand (participates in β ladder)trans-87.1109.8174.3-178.812.8000109.9Y269 Q273 G274 M275Y269-D271 HydrophobicContact CD1-CB 4.33Å; Y269-D271 HydrophobicContact CE1-CB 3.84Å; D271-Q273 PolarHBondContact OD1-N 3.45Å; D271-Q273 VanDerWaalsContact OD1-N 3.12Å; D271-G274 PolarHBondContact OD1-N 3.47Å; D271-G274 PolarHBondContact OD2-N 2.98Å; D271-M275 WeakPolarHBondContact O-CE 3.06Å; D271-M275 WeakPolarHBondContact O-CG 3.43Å
272L82.4Confident85.2Confident3 Ų359 Ų592%0.01629%0.288CS..SBendtrans-83.1-30179.2-63.7170000111.4L27 I270 G274 M275 W277 A278 V282 P285 P286 F288 M326L27-L272 HydrophobicContact CD1-CD2 4.41Å; L27-L272 HydrophobicContact CD2-CD2 3.89Å; I270-L272 HydrophobicContact CG2-CD2 4.17Å; L272-G274 VanDerWaalsContact C-N 3.29Å; L272-G274 PolarHBondContact O-N 3.22Å; L272-M275 HydrophobicContact CD2-CE 4.48Å; L272-M275 HydrophobicContact CD2-SD 4.14Å; L272-M275 WeakPolarHBondContact O-CB 3.41Å; L272-M275 PolarHBondContact O-N 2.8Å; L272-M275 VanDerWaalsContact O-N 3.09Å; L272-W277 HydrophobicContact CD2-CH2 4.21Å; L272-W277 HydrophobicContact CD2-CZ2 4.04Å; L272-A278 WeakPolarHBondContact O-CB 3.49Å; L272-V282 HydrophobicContact CD1-CG1 4.42Å; L272-P285 HydrophobicContact CD1-CG 4.43Å; L272-P285 WeakPolarHBondContact CD1-O 3.47Å; L272-P286 WeakPolarHBondContact CA-O 3.2Å; L272-P286 WeakPolarHBondContact CB-O 3.46Å; L272-P286 PolarHBondContact N-O 3.08Å; L272-F288 HydrophobicContact CD1-CD1 4.16Å; L272-F288 HydrophobicContact CD1-CE1 4.29Å; L272-M326 HydrophobicContact CD1-CE 3.74Å
273Q79.9Confident85.1Confident150 Ų15057.7 Ų57.770%0.70129%0.285SS*.THydrogen-bonded Turntrans-66.3-33.6176.6-71.7-172.9-20.800112.2D271 M275 P286D271-Q273 PolarHBondContact OD1-N 3.45Å; D271-Q273 VanDerWaalsContact OD1-N 3.12Å; Q273-M275 PolarHBondContact O-N 2.79Å; Q273-P286 VanDerWaalsContact CD-CB 3.44Å; Q273-P286 HydrophobicContact CG-CB 3.7Å; Q273-P286 PolarHBondContact N-O 2.89Å; Q273-P286 VanDerWaalsContact N-O 3.07Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å
274G79.7Confident84.9Confident57 Ų5761.2 Ų61.259%0.58830%0.302SS*.THydrogen-bonded Turntrans-68.7-11.5173.300000114.4D271 L272D271-G274 PolarHBondContact OD1-N 3.47Å; D271-G274 PolarHBondContact OD2-N 2.98Å; L272-G274 VanDerWaalsContact C-N 3.29Å; L272-G274 PolarHBondContact O-N 3.22Å
275M85.8Confident84.8Confident39 Ų3961.8 Ų61.819%0.19231%0.305CS..  trans-93.2120.9-176.1-63.2-173.6-169.100112.3I270 D271 L272 Q273 W277 A278 D279I270-M275 HydrophobicContact CG2-CE 3.43Å; I270-M275 VanDerWaalsContact CG2-CE 3.43Å; D271-M275 WeakPolarHBondContact O-CE 3.06Å; D271-M275 WeakPolarHBondContact O-CG 3.43Å; L272-M275 HydrophobicContact CD2-CE 4.48Å; L272-M275 HydrophobicContact CD2-SD 4.14Å; L272-M275 WeakPolarHBondContact O-CB 3.41Å; L272-M275 PolarHBondContact O-N 2.8Å; L272-M275 VanDerWaalsContact O-N 3.09Å; Q273-M275 PolarHBondContact O-N 2.79Å; M275-W277 HydrophobicContact CB-CG 4.5Å; M275-W277 PolarHBondContact O-N 2.93Å; M275-W277 VanDerWaalsContact O-N 3.13Å; M275-W277 HydrophobicContact SD-CZ2 3.73Å; M275-W277 PolarHBondContact SD-NE1 2.76Å; M275-A278 HydrophobicContact CB-CB 4.21Å; M275-A278 PolarHBondContact O-N 2.86Å; M275-D279 PolarHBondContact O-N 2.85Å
276K85.8Confident84.5Confident200 Ų20062.6 Ų62.687%0.8732%0.315SS*.THydrogen-bonded Turntrans-56.8-32.9179.6-64.2-173.5179.9-1790114.1A278 D279K276-A278 VanDerWaalsContact C-N 3.34Å; K276-D279 WeakPolarHBondContact O-CB 3.47Å
277W88.3Confident84.4Confident46 Ų4659.3 Ų59.317%0.17430%0.302CS..THydrogen-bonded Turntrans-75-25.1-178.468-101.7000112.6L27 L28 L272 M275 D279 W281 V282L27-W277 HydrophobicContact CD2-CH2 3.41Å; L27-W277 VanDerWaalsContact CD2-CH2 3.41Å; L27-W277 HydrophobicContact CD2-CZ2 3.74Å; L28-W277 HydrophobicContact CB-CD2 3.87Å; L28-W277 HydrophobicContact CB-CE3 4.05Å; L28-W277 HydrophobicContact CB-CG 4.39Å; L28-W277 HydrophobicContact CB-CH2 4.37Å; L28-W277 HydrophobicContact CB-CZ2 4.18Å; L28-W277 HydrophobicContact CB-CZ3 4.29Å; L28-W277 HydrophobicContact CD1-CD2 3.93Å; L28-W277 HydrophobicContact CD1-CE3 3.46Å; L28-W277 VanDerWaalsContact CD1-CE3 3.46Å; L28-W277 HydrophobicContact CD1-CG 4.42Å; L28-W277 HydrophobicContact CD1-CZ3 3.97Å; L28-W277 HydrophobicContact CD2-CB 3.99Å; L28-W277 HydrophobicContact CD2-CD2 4.17Å; L28-W277 HydrophobicContact CD2-CG 3.93Å; L28-W277 HydrophobicContact CG-CD2 4.2Å; L28-W277 HydrophobicContact CG-CE3 4.19Å; L28-W277 HydrophobicContact CG-CG 4.48Å; L272-W277 HydrophobicContact CD2-CH2 4.21Å; L272-W277 HydrophobicContact CD2-CZ2 4.04Å; M275-W277 HydrophobicContact CB-CG 4.5Å; M275-W277 PolarHBondContact O-N 2.93Å; M275-W277 VanDerWaalsContact O-N 3.13Å; M275-W277 HydrophobicContact SD-CZ2 3.73Å; M275-W277 PolarHBondContact SD-NE1 2.76Å; W277-D279 VanDerWaalsContact C-N 3.34Å; W277-W281 HydrophobicContact CE3-CZ2 4.06Å; W277-W281 AromaticContact CZ3-CZ2 3.97Å; W277-W281 HydrophobicContact CZ3-CZ2 3.97Å; W277-W281 PolarHBondContact O-NE1 3.25Å; W277-V282 HydrophobicContact CZ3-CG2 4.04Å
278A84.5Confident84.4Confident5 Ų553.9 Ų53.94%0.04128%0.277CS..THydrogen-bonded Turntrans-87.6-11.7-177.500000112.3L272 M275 K276 N280 V282L272-A278 WeakPolarHBondContact O-CB 3.49Å; M275-A278 HydrophobicContact CB-CB 4.21Å; M275-A278 PolarHBondContact O-N 2.86Å; K276-A278 VanDerWaalsContact C-N 3.34Å; A278-N280 PolarHBondContact O-N 2.76Å; A278-V282 HydrophobicContact CB-CB 4.14Å; A278-V282 HydrophobicContact CB-CG2 3.86Å; A278-V282 PolarHBondContact O-N 3.18Å; A278-V282 VanDerWaalsContact O-N 3.14Å
279D82.9Confident84.4Confident94 Ų9454.7 Ų54.750%0.50328%0.282SS..THydrogen-bonded Turntrans-58.4135.5-174.6-166.827.3000111.7M275 K276 W277 W281M275-D279 PolarHBondContact O-N 2.85Å; K276-D279 WeakPolarHBondContact O-CB 3.47Å; W277-D279 VanDerWaalsContact C-N 3.34Å; D279-W281 PolarHBondContact O-N 3.11Å; D279-W281 VanDerWaalsContact O-N 3.1Å
280N81.8Confident84.4Confident47 Ų4748.3 Ų48.325%0.25126%0.257SS..THydrogen-bonded Turntrans67.3-5.3175.9-49.1-61.9000118.3L43 M48 A278L43-N280 HydrophobicContact CB-CB 4.32Å; L43-N280 WeakPolarHBondContact CD1-O 3.31Å; M48-N280 HydrophobicContact CG-CB 4.39Å; M48-N280 WeakPolarHBondContact SD-CA 3.49Å; M48-N280 HydrophobicContact SD-CB 3.48Å; M48-N280 WeakPolarHBondContact SD-CB 3.49Å; M48-N280 PolarHBondContact SD-OD1 3.11Å; M48-N280 VanDerWaalsContact SD-OD1 3.38Å; A278-N280 PolarHBondContact O-N 2.76Å
281W87.6Confident84.6Confident1 Ų149.9 Ų49.90%0.00426%0.262CS..THydrogen-bonded Turntrans-130.4-24.1179.878.7-74.1000115.2L28 L31 L32 L35 A40 P41 L43 W277 D279 L283 V328 S329L28-W281 HydrophobicContact CD1-CZ2 4.31Å; L31-W281 HydrophobicContact CD2-CH2 2.95Å; L31-W281 HydrophobicContact CD2-CZ2 3.79Å; L31-W281 HydrophobicContact CD2-CZ3 3.44Å; L31-W281 VanDerWaalsContact CD2-CZ3 3.44Å; L31-W281 HydrophobicContact CG-CH2 4.43Å; L32-W281 HydrophobicContact CD2-CH2 4.45Å; L35-W281 HydrophobicContact CD1-CH2 4.24Å; L35-W281 HydrophobicContact CD1-CZ3 3.71Å; A40-W281 HydrophobicContact CB-CZ2 4.04Å; P41-W281 HydrophobicContact CG-CD2 4.16Å; P41-W281 HydrophobicContact CG-CE3 3.78Å; P41-W281 HydrophobicContact CG-CH2 4.48Å; P41-W281 HydrophobicContact CG-CZ3 3.96Å; L43-W281 HydrophobicContact CD1-CB 3.65Å; L43-W281 HydrophobicContact CG-CB 4.19Å; W277-W281 HydrophobicContact CE3-CZ2 4.06Å; W277-W281 AromaticContact CZ3-CZ2 3.97Å; W277-W281 HydrophobicContact CZ3-CZ2 3.97Å; W277-W281 PolarHBondContact O-NE1 3.25Å; D279-W281 PolarHBondContact O-N 3.11Å; D279-W281 VanDerWaalsContact O-N 3.1Å; W281-L283 PolarHBondContact O-N 3.19Å; W281-V328 HydrophobicContact CE3-CB 3.96Å; W281-V328 HydrophobicContact CE3-CG1 4.29Å; W281-V328 HydrophobicContact CZ3-CB 4.2Å; W281-V328 HydrophobicContact CZ3-CG1 4.3Å; W281-V328 CarbonylContact O-C 3.55Å; W281-V328 VanDerWaalsContact O-CA 3.26Å; W281-V328 WeakPolarHBondContact O-CA 3.35Å; W281-S329 PolarHBondContact O-N 3.47Å
282V88.3Confident84.9Confident23 Ų2348.3 Ų48.314%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-85.4110.6167-179.30000108L272 W277 A278 M326 V328L272-V282 HydrophobicContact CD1-CG1 4.42Å; W277-V282 HydrophobicContact CZ3-CG2 4.04Å; A278-V282 HydrophobicContact CB-CB 4.14Å; A278-V282 HydrophobicContact CB-CG2 3.86Å; A278-V282 PolarHBondContact O-N 3.18Å; A278-V282 VanDerWaalsContact O-N 3.14Å; V282-M326 HydrophobicContact CG1-CE 3.54Å; V282-M326 HydrophobicContact CG2-CE 4.36Å; V282-V328 HydrophobicContact CG2-CG1 4.42Å
283L86.8Confident85.3Confident36 Ų3649.1 Ų49.119%0.18826%0.259CS..EExtended strand (participates in β ladder)trans-90.2-41.3-175.8-53.4-179.7000112M48 L51 I53 W281 I327 P338M48-L283 HydrophobicContact CE-CD2 4.41Å; L51-L283 HydrophobicContact CD2-CD1 3.66Å; L51-L283 HydrophobicContact CD2-CD2 3.82Å; L51-L283 HydrophobicContact CD2-CG 4.35Å; L51-L283 HydrophobicContact CG-CD1 4.49Å; I53-L283 HydrophobicContact CD1-CB 4.19Å; I53-L283 HydrophobicContact CD1-CD1 3.97Å; I53-L283 HydrophobicContact CG1-CD1 3.86Å; W281-L283 PolarHBondContact O-N 3.19Å; L283-I327 HydrophobicContact CB-CB 4.33Å; L283-I327 HydrophobicContact CB-CG2 4.24Å; L283-I327 HydrophobicContact CD1-CG2 4.04Å; L283-I327 PolarHBondContact N-O 2.78Å; L283-P338 HydrophobicContact CD1-CB 4.04Å
284E85.8Confident85.8Confident75 Ų7543 Ų4335%0.3523%0.231SC..EExtended strand (participates in β ladder)trans-146.5146-179.7-69.2-69176.500110.9Y61 P286 M326 I327Y61-E284 HydrophobicContact CE2-CB 4.33Å; E284-P286 WeakPolarHBondContact OE2-CD 3.39Å; E284-M326 CarbonylContact O-C 3.46Å; E284-M326 WeakPolarHBondContact O-CA 3.4Å; E284-I327 HydrophobicContact CB-CB 4.03Å; E284-I327 HydrophobicContact CB-CD1 4.07Å; E284-I327 HydrophobicContact CB-CG1 3.99Å; E284-I327 HydrophobicContact CG-CD1 4.08Å; E284-I327 PolarHBondContact N-O 2.88Å; E284-I327 PolarHBondContact O-N 2.81Å
285P89.1Confident86.3Confident13 Ų1341.6 Ų41.68%0.08422%0.217CC..  cis-77.8163.1-11.934.3-34.3000111.8L272 G287 F288 L324L272-P285 HydrophobicContact CD1-CG 4.43Å; L272-P285 WeakPolarHBondContact CD1-O 3.47Å; P285-G287 PolarHBondContact O-N 2.77Å; P285-F288 HydrophobicContact CG-CB 4.47Å; P285-L324 HydrophobicContact CG-CD1 4.3Å
286P82.1Confident86.5Confident50 Ų5043.5 Ų43.533%0.32523%0.231SC..SBendtrans-67.7-24172.628.7-36.9000113.3L272 Q273 E284L272-P286 WeakPolarHBondContact CA-O 3.2Å; L272-P286 WeakPolarHBondContact CB-O 3.46Å; L272-P286 PolarHBondContact N-O 3.08Å; Q273-P286 VanDerWaalsContact CD-CB 3.44Å; Q273-P286 HydrophobicContact CG-CB 3.7Å; Q273-P286 PolarHBondContact N-O 2.89Å; Q273-P286 VanDerWaalsContact N-O 3.07Å; Q273-P286 VanDerWaalsContact NE2-CB 3.34Å; E284-P286 WeakPolarHBondContact OE2-CD 3.39Å
287G83.9Confident86.6Confident11 Ų1134.7 Ų34.711%0.11319%0.194CC..EExtended strand (participates in β ladder)trans-178.1169.9174.800000110.1Y269 I270 P285Y269-G287 WeakPolarHBondContact OH-CA 3.43Å; I270-G287 CarbonylContact O-C 3.58Å; I270-G287 WeakPolarHBondContact O-CA 3.47Å; P285-G287 PolarHBondContact O-N 2.77Å
288F83.9Confident86.5Confident18 Ų1836.9 Ų36.98%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-155.7159.2-175.770.4-78.7000113L27 Y269 I270 L272 P285 A290 L324L27-F288 HydrophobicContact CD1-CE1 3.59Å; L27-F288 HydrophobicContact CD1-CZ 3.55Å; Y269-F288 WeakPolarHBondContact CD2-O 3.46Å; I270-F288 HydrophobicContact CB-CD1 4.29Å; I270-F288 HydrophobicContact CB-CE1 3.88Å; I270-F288 HydrophobicContact CB-CZ 4.16Å; I270-F288 HydrophobicContact CD1-CE1 4.33Å; I270-F288 HydrophobicContact CD1-CE2 4.37Å; I270-F288 HydrophobicContact CD1-CZ 3.8Å; I270-F288 HydrophobicContact CG1-CZ 4.41Å; I270-F288 HydrophobicContact CG2-CE1 3.99Å; I270-F288 HydrophobicContact CG2-CZ 4.47Å; I270-F288 PolarHBondContact N-O 3.06Å; I270-F288 PolarHBondContact O-N 2.96Å; L272-F288 HydrophobicContact CD1-CD1 4.16Å; L272-F288 HydrophobicContact CD1-CE1 4.29Å; P285-F288 HydrophobicContact CG-CB 4.47Å; F288-A290 HydrophobicContact CD2-CB 4.3Å; F288-A290 HydrophobicContact CE2-CB 3.67Å; F288-A290 HydrophobicContact CZ-CB 4.35Å; F288-L324 HydrophobicContact CB-CD1 4.16Å; F288-L324 HydrophobicContact CD1-CD1 4.28Å; F288-L324 HydrophobicContact CD1-CD2 3.67Å; F288-L324 HydrophobicContact CD2-CD1 4.03Å; F288-L324 HydrophobicContact CD2-CD2 4.1Å; F288-L324 HydrophobicContact CE1-CD2 3.43Å; F288-L324 VanDerWaalsContact CE1-CD2 3.43Å; F288-L324 HydrophobicContact CE2-CD2 3.87Å; F288-L324 HydrophobicContact CG-CD1 3.89Å; F288-L324 HydrophobicContact CG-CD2 4.01Å; F288-L324 HydrophobicContact CZ-CD2 3.54Å
289L83.4Confident86.5Confident63 Ų6341 Ų4133%0.3323%0.225SC..EExtended strand (participates in β ladder)trans-84.5111.6170.9-66.7168.7000109.7M268 Y269 Y291 R347M268-L289 CarbonylContact O-C 3.57Å; M268-L289 WeakPolarHBondContact O-CA 3.48Å; Y269-L289 HydrophobicContact CD2-CD2 3.97Å; Y269-L289 HydrophobicContact CD2-CG 4.29Å; L289-Y291 HydrophobicContact CB-CD2 4.04Å; L289-Y291 HydrophobicContact CB-CE2 3.49Å; L289-Y291 VanDerWaalsContact CB-CE2 3.49Å; L289-Y291 HydrophobicContact CD1-CE2 4.38Å; L289-R347 WeakPolarHBondContact O-CD 3.44Å; L289-R347 WeakPolarHBondContact O-CG 3.46Å
290A84.1Confident86.2Confident1 Ų137.8 Ų37.81%0.00821%0.209CC..  trans-85.5-37.4177.400000111.8M268 I270 F288 R347 V348M268-A290 PolarHBondContact O-N 3.03Å; I270-A290 HydrophobicContact CD1-CB 3.7Å; I270-A290 HydrophobicContact CG1-CB 4.1Å; F288-A290 HydrophobicContact CD2-CB 4.3Å; F288-A290 HydrophobicContact CE2-CB 3.67Å; F288-A290 HydrophobicContact CZ-CB 4.35Å; A290-R347 CarbonylContact O-C 3.59Å; A290-R347 WeakPolarHBondContact O-CA 3.2Å; A290-V348 PolarHBondContact O-N 3.21Å
291Y87.4Confident85.8Confident42 Ų4238.4 Ų38.417%0.16522%0.216CC..  trans59.2155.5-170-55.2-101.4000113.8R265 Q266 E267 M268 L289 R347 V348R265-Y291 HydrophobicContact CG-CD1 3.88Å; R265-Y291 HydrophobicContact CG-CG 4.12Å; Q266-Y291 CarbonylContact O-C 3.46Å; Q266-Y291 WeakPolarHBondContact O-CA 3.49Å; Q266-Y291 WeakPolarHBondContact O-CB 2.99Å; E267-Y291 HydrophobicContact CB-CD1 4.41Å; E267-Y291 HydrophobicContact CB-CE1 4.41Å; E267-Y291 HydrophobicContact CG-CD1 4.08Å; E267-Y291 HydrophobicContact CG-CE1 3.74Å; M268-Y291 PolarHBondContact O-N 2.94Å; L289-Y291 HydrophobicContact CB-CD2 4.04Å; L289-Y291 HydrophobicContact CB-CE2 3.49Å; L289-Y291 VanDerWaalsContact CB-CE2 3.49Å; L289-Y291 HydrophobicContact CD1-CE2 4.38Å; Y291-R347 HydrophobicContact CD2-CG 4.02Å; Y291-R347 HydrophobicContact CE2-CG 4.41Å; Y291-V348 WeakPolarHBondContact O-CG2 3.47Å
292E88.7Confident84.7Confident41 Ų4146.7 Ų46.719%0.19226%0.255CS..EExtended strand (participates in β ladder)trans-136.6147177.3-176.8171.3-149.200110.8A21 R265 Q266 M268 V294A21-E292 WeakPolarHBondContact CA-OE1 3.15Å; A21-E292 WeakPolarHBondContact CB-OE1 3.05Å; A21-E292 PolarHBondContact N-OE1 3.02Å; A21-E292 VanDerWaalsContact N-OE1 3.11Å; R265-E292 CarbonylContact C-O 3.59Å; R265-E292 WeakPolarHBondContact CA-O 3.49Å; Q266-E292 PolarHBondContact N-O 3.46Å; Q266-E292 PolarHBondContact O-N 2.93Å; M268-E292 HydrophobicContact CE-CB 3.81Å; M268-E292 HydrophobicContact CE-CG 4.35Å; M268-E292 WeakPolarHBondContact CE-OE2 3.08Å; E292-V294 HydrophobicContact CB-CG1 4.43Å; E292-V294 HydrophobicContact CG-CG1 3.98Å
293C90.4Very high83.3Confident20 Ų2050.2 Ų50.214%0.13529%0.286CS..EExtended strand (participates in β ladder)trans-89.5119.8171.5-64.10000109.8V348 C351C293-V348 VanDerWaalsContact SG-CG1 3.59Å; C293-C351 WeakPolarHBondContact CA-SG 3.43Å; C293-C351 HydrophobicContact CB-CB 3.87Å; C293-C351 WeakPolarHBondContact CB-SG 3.1Å; C293-C351 VanDerWaalsContact SG-CA 3.53Å; C293-C351 WeakPolarHBondContact SG-CB 3.4Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.12Å
294V90.6Very high81.8Confident21 Ų2150.3 Ų50.313%0.12729%0.287CS..EExtended strand (participates in β ladder)trans-128.6164.9-176.8-590000111.1C251 V257 C263 C264 Q266 E292 C316C251-V294 VanDerWaalsContact SG-CG2 3.54Å; V257-V294 HydrophobicContact CG1-CB 4.28Å; V257-V294 HydrophobicContact CG1-CG2 4.1Å; V257-V294 HydrophobicContact CG2-CG2 3.98Å; C263-V294 CarbonylContact C-O 3.59Å; C263-V294 VanDerWaalsContact CA-O 3.29Å; C263-V294 WeakPolarHBondContact CA-O 2.99Å; C264-V294 PolarHBondContact N-O 3.34Å; C264-V294 PolarHBondContact O-N 3.44Å; Q266-V294 HydrophobicContact CB-CG1 4.32Å; Q266-V294 HydrophobicContact CB-CG2 3.84Å; E292-V294 HydrophobicContact CB-CG1 4.43Å; E292-V294 HydrophobicContact CG-CG1 3.98Å; V294-C316 PolarHBondContact O-SG 2.8Å
295G90.3Very high80.3Confident28 Ų2848.7 Ų48.729%0.28929%0.286SS..SBendtrans92-172.7-18000000113.6T261T261-G295 CarbonylContact O-C 3.5Å; T261-G295 VanDerWaalsContact O-CA 3.31Å; T261-G295 WeakPolarHBondContact O-CA 3.28Å
296T90.2Very high78.7Confident78 Ų7851.3 Ų51.348%0.47930%0.296SS..BIsolated β-bridgetrans-116.9158.4-172.360.80000112.2E259 T261 C263E259-T296 PolarHBondContact O-OG1 3.38Å; E259-T296 VanDerWaalsContact O-OG1 3.13Å; T261-T296 PolarHBondContact O-N 2.91Å; C263-T296 PolarHBondContact N-O 2.84Å
297C88.8Confident77.1Confident15 Ų1558 Ų5810%0.10132%0.32CS..  trans-110.8130.6178.9-71.90000110.3Q299 R314 Q315 C316 C353C297-Q299 PolarHBondContact O-N 2.93Å; C297-Q299 PolarHBondContact O-NE2 3.05Å; C297-R314 HydrophobicContact CB-CB 4.09Å; C297-Q315 VanDerWaalsContact SG-C 3.52Å; C297-C316 PolarHBondContact SG-N 3.1Å; C297-C353 VanDerWaalsContact CA-SG 3.6Å; C297-C353 HydrophobicContact CB-CB 3.66Å; C297-C353 WeakPolarHBondContact CB-SG 3.28Å; C297-C353 WeakPolarHBondContact SG-CA 3.46Å; C297-C353 WeakPolarHBondContact SG-CB 3.49Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 2.77Å
298Q86.8Confident75.6Confident92 Ų9263.6 Ų63.643%0.4334%0.338SS..PPolyproline II helixtrans-63.9133.5173.3-64.9-17011.200110Y245Y245-Q298 HydrophobicContact CD1-CB 3.96Å; Y245-Q298 HydrophobicContact CE1-CB 4.31Å
299Q84.5Confident74Confident91 Ų9167.8 Ų67.843%0.42537%0.367SS..PPolyproline II helixtrans-83.7142.1177.2-58.3-54.7-53.400109.7C297 R314C297-Q299 PolarHBondContact O-N 2.93Å; C297-Q299 PolarHBondContact O-NE2 3.05Å; Q299-R314 PolarHBondContact NE2-O 3.04Å
300P76.2Confident72.7Confident28 Ų2873.1 Ų73.118%0.18239%0.388CS..PPolyproline II helixtrans-62.7153.7176.626.4-33.2000111L240L240-P300 HydrophobicContact CD1-CB 4.12Å; L240-P300 HydrophobicContact CD2-CB 4.22Å
301P72.7Confident71.7Confident60 Ų6076.5 Ų76.539%0.3941%0.406SS..PPolyproline II helixtrans-54.4143.3173-23.932.8000111.7A303 L304 A305P301-A303 PolarHBondContact O-N 3.42Å; P301-L304 CarbonylContact O-C 3.4Å; P301-L304 WeakPolarHBondContact O-CA 3.23Å; P301-L304 PolarHBondContact O-N 2.89Å; P301-A305 PolarHBondContact O-N 2.74Å
302E64.9Low70.9Confident175 Ų17575.8 Ų75.882%0.81841%0.411SS*.THydrogen-bonded Turntrans-56.8-28.2-175.1-132.7176.5-176.100113.7L304 A305E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 2.82Å; E302-A305 PolarHBondContact O-N 2.89Å
303A58.2Low70.6Confident97 Ų9777.7 Ų77.780%0.80243%0.427SS*.THydrogen-bonded Turntrans-70.5-21.9175.600000114.1P301P301-A303 PolarHBondContact O-N 3.42Å
304L56.3Low70.3Confident37 Ų3777.3 Ų77.319%0.19442%0.422CS..THydrogen-bonded Turntrans-107.8-8.6177.7-60.1179000112.3V114 H238 P301 E302 F306V114-L304 WeakPolarHBondContact CG1-O 3.37Å; H238-L304 HydrophobicContact CB-CD2 3.8Å; P301-L304 CarbonylContact O-C 3.4Å; P301-L304 WeakPolarHBondContact O-CA 3.23Å; P301-L304 PolarHBondContact O-N 2.89Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 2.82Å; L304-F306 VanDerWaalsContact C-N 3.32Å; L304-F306 PolarHBondContact O-N 2.7Å
305A53.6Low70.1Confident41 Ų4179.4 Ų79.434%0.33943%0.431SS..  trans-67.692.9173.700000108.4P301 E302 K307P301-A305 PolarHBondContact O-N 2.74Å; E302-A305 PolarHBondContact O-N 2.89Å; A305-K307 PolarHBondContact O-N 3.05Å
306F54.8Low70.1Confident68 Ų6879.1 Ų79.130%0.29842%0.424SS..  trans-58.3112.1172.7-148.4-71.6000107.7Q115 D179 L304 W308Q115-F306 HydrophobicContact CG-CD2 4.16Å; Q115-F306 HydrophobicContact CG-CE2 4.2Å; D179-F306 WeakPolarHBondContact OD2-CE2 3.3Å; D179-F306 WeakPolarHBondContact OD2-CZ 2.96Å; L304-F306 VanDerWaalsContact C-N 3.32Å; L304-F306 PolarHBondContact O-N 2.7Å; F306-W308 HydrophobicContact CD1-CB 4.4Å; F306-W308 AromaticContact CD1-CD1 2.99Å; F306-W308 HydrophobicContact CD1-CD2 4.03Å; F306-W308 AromaticContact CD1-CE2 3.73Å; F306-W308 AromaticContact CD1-CG 3.59Å; F306-W308 HydrophobicContact CD1-CG 3.59Å; F306-W308 AromaticContact CD1-NE1 3.05Å; F306-W308 AromaticContact CE1-CD1 3.54Å; F306-W308 AromaticContact CE1-CD2 3.89Å; F306-W308 HydrophobicContact CE1-CD2 3.89Å; F306-W308 AromaticContact CE1-CE2 3.34Å; F306-W308 AromaticContact CE1-CG 3.97Å; F306-W308 HydrophobicContact CE1-CG 3.97Å; F306-W308 AromaticContact CE1-CZ2 3.85Å; F306-W308 HydrophobicContact CE1-CZ2 3.85Å; F306-W308 AromaticContact CE1-NE1 3.1Å; F306-W308 AromaticContact CG-CD1 3.61Å; F306-W308 AromaticContact CG-NE1 3.66Å; F306-W308 HydrophobicContact CZ-CZ2 4.2Å; F306-W308 AromaticContact CZ-NE1 3.77Å; F306-W308 PolarHBondContact O-N 3.43Å
307K50.3Low70.1Confident190 Ų19077.1 Ų77.183%0.82641%0.41SS*.  trans-73.458.9173.3-67.5-176.1-180-178.70109.7A305 P309A305-K307 PolarHBondContact O-N 3.05Å; K307-P309 WeakPolarHBondContact O-CD 3.05Å
308W50.7Low70.1Confident129 Ų12978.6 Ų78.649%0.48942%0.423SS..  trans-65.3122.8158.8-79.3108.1000105.5F306 F310 L311F306-W308 HydrophobicContact CD1-CB 4.4Å; F306-W308 AromaticContact CD1-CD1 2.99Å; F306-W308 HydrophobicContact CD1-CD2 4.03Å; F306-W308 AromaticContact CD1-CE2 3.73Å; F306-W308 AromaticContact CD1-CG 3.59Å; F306-W308 HydrophobicContact CD1-CG 3.59Å; F306-W308 AromaticContact CD1-NE1 3.05Å; F306-W308 AromaticContact CE1-CD1 3.54Å; F306-W308 AromaticContact CE1-CD2 3.89Å; F306-W308 HydrophobicContact CE1-CD2 3.89Å; F306-W308 AromaticContact CE1-CE2 3.34Å; F306-W308 AromaticContact CE1-CG 3.97Å; F306-W308 HydrophobicContact CE1-CG 3.97Å; F306-W308 AromaticContact CE1-CZ2 3.85Å; F306-W308 HydrophobicContact CE1-CZ2 3.85Å; F306-W308 AromaticContact CE1-NE1 3.1Å; F306-W308 AromaticContact CG-CD1 3.61Å; F306-W308 AromaticContact CG-NE1 3.66Å; F306-W308 HydrophobicContact CZ-CZ2 4.2Å; F306-W308 AromaticContact CZ-NE1 3.77Å; F306-W308 PolarHBondContact O-N 3.43Å; W308-F310 PolarHBondContact O-N 2.84Å; W308-L311 HydrophobicContact CB-CB 4.32Å; W308-L311 HydrophobicContact CB-CD1 3.82Å; W308-L311 HydrophobicContact CB-CG 3.88Å; W308-L311 HydrophobicContact CG-CD1 4.06Å; W308-L311 PolarHBondContact O-N 3.48Å
309P51.8Low70Confident106 Ų10676.1 Ų76.169%0.68842%0.416SS*.THydrogen-bonded Turntrans-62.7-1.1-172.920.7-29.8000114.5K307K307-P309 WeakPolarHBondContact O-CD 3.05Å
310F55.4Low70.1Confident176 Ų17676 Ų7677%0.77242%0.415SS*.THydrogen-bonded Turntrans-122.2-4.6-174.9-49.2-66.8000114.6W308W308-F310 PolarHBondContact O-N 2.84Å
311L63.4Low70.5Confident72 Ų7277.4 Ų77.438%0.37742%0.424SS..  trans-90116.8179.5-69.9177.7000110W308 D356 A358W308-L311 HydrophobicContact CB-CB 4.32Å; W308-L311 HydrophobicContact CB-CD1 3.82Å; W308-L311 HydrophobicContact CB-CG 3.88Å; W308-L311 HydrophobicContact CG-CD1 4.06Å; W308-L311 PolarHBondContact O-N 3.48Å; L311-D356 WeakPolarHBondContact CA-O 3.2Å; L311-A358 HydrophobicContact CD2-CB 4.34Å
312G71Confident71.1Confident27 Ų2775 Ų7528%0.27841%0.41SS..  trans-78.2179.6175.100000112.7D356G312-D356 PolarHBondContact N-O 2.91Å; G312-D356 VanDerWaalsContact N-O 3.08Å
313P81.2Confident72.3Confident80 Ų8068.8 Ų68.852%0.51939%0.385SS..  trans-59.9153.7175.927.4-34.6000111.1Q315 D356P313-Q315 PolarHBondContact O-N 2.87Å; P313-D356 PolarHBondContact O-N 2.78Å
314R84Confident73.8Confident12 Ų1264.9 Ų64.95%0.04535%0.35CS..EExtended strand (participates in β ladder)trans-67.3129.5175-66.2176.871.694.8-10.8110.4E112 C297 Q299 C353 A354 S355E112-R314 IonicContact OE1-CZ 3.68Å; E112-R314 IonicContact OE1-NH1 3.72Å; E112-R314 PolarHBondContact OE1-NH1 3.37Å; E112-R314 IonicContact OE1-NH2 3.69Å; E112-R314 IonicContact OE2-CZ 2.69Å; E112-R314 IonicContact OE2-NH1 3.47Å; E112-R314 PolarHBondContact OE2-NH1 3.08Å; E112-R314 IonicContact OE2-NH2 3.61Å; E112-R314 PolarHBondContact OE2-NH2 3.22Å; C297-R314 HydrophobicContact CB-CB 4.09Å; Q299-R314 PolarHBondContact NE2-O 3.04Å; R314-C353 PolarHBondContact NH2-O 3.23Å; R314-A354 CarbonylContact C-O 3.55Å; R314-A354 VanDerWaalsContact CA-O 3.3Å; R314-A354 WeakPolarHBondContact CA-O 3.04Å; R314-S355 WeakPolarHBondContact CG-OG 3.28Å
315Q88.1Confident75.5Confident65 Ų6563.1 Ų63.130%0.30434%0.341SS..EExtended strand (participates in β ladder)trans-118.8153.4179.8-63.71781600110.6C297 P313 I317 C353 A354C297-Q315 VanDerWaalsContact SG-C 3.52Å; P313-Q315 PolarHBondContact O-N 2.87Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.47Å; Q315-C353 WeakPolarHBondContact O-CA 3.23Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 2.85Å; Q315-A354 VanDerWaalsContact O-N 3.09Å
316C89.8Confident77.2Confident22 Ų2261.1 Ų61.115%0.14933%0.325CS..EExtended strand (participates in β ladder)trans-79.8113.4174.3-1730000108.7C263 V294 C297C263-C316 VanDerWaalsContact CA-SG 3.53Å; C263-C316 HydrophobicContact CB-CB 3.68Å; C263-C316 WeakPolarHBondContact CB-SG 3.31Å; C263-C316 VanDerWaalsContact SG-CA 3.55Å; C263-C316 WeakPolarHBondContact SG-CB 3.46Å; C263-C316 CovalentContact SG-SG 2.03Å; C263-C316 PolarHBondContact SG-SG 2.85Å; V294-C316 PolarHBondContact O-SG 2.8Å; C297-C316 PolarHBondContact SG-N 3.1Å
317I89.1Confident78.9Confident36 Ų3658 Ų5819%0.18531%0.312CS..EExtended strand (participates in β ladder)trans-128.9155.7-175.764.7163.4000111.6P18 Q315 S319 C351 S352 A354 V360P18-I317 HydrophobicContact CB-CG2 4.26Å; Q315-I317 HydrophobicContact CB-CG2 4.29Å; Q315-I317 PolarHBondContact O-N 3.47Å; I317-S319 PolarHBondContact O-N 3.38Å; I317-C351 CarbonylContact O-C 3.58Å; I317-C351 WeakPolarHBondContact O-CA 3.38Å; I317-S352 PolarHBondContact N-O 3.33Å; I317-S352 PolarHBondContact O-N 3.43Å; I317-A354 HydrophobicContact CD1-CB 3.68Å; I317-A354 HydrophobicContact CG1-CB 4.11Å; I317-V360 HydrophobicContact CD1-CG2 4.38Å
318A89.1Confident80.8Confident46 Ų4649 Ų4938%0.3827%0.272SS..EExtended strand (participates in β ladder)trans-70.8109.7168.200000109.6T321 V348A318-T321 HydrophobicContact CB-CG2 3.95Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.04Å
319S85.3Confident82.7Confident40 Ų4042.9 Ų42.928%0.2825%0.249SC..EExtended strand (participates in β ladder)trans-85.4-31.8179.366.20000112.6I317 K350 S352I317-S319 PolarHBondContact O-N 3.38Å; S319-K350 PolarHBondContact N-O 2.95Å; S319-K350 WeakPolarHBondContact OG-CB 3.41Å; S319-K350 PolarHBondContact OG-O 2.95Å; S319-S352 VanDerWaalsContact CB-OG 3.3Å; S319-S352 WeakPolarHBondContact CB-OG 3.45Å
320E85.8Confident84.4Confident88 Ų8839.2 Ų39.241%0.41122%0.223SC..EExtended strand (participates in β ladder)trans-133130.9177.9-60.1177.8-150.800109Q349 K350E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.46Å; E320-Q349 WeakPolarHBondContact O-CB 3.41Å; E320-Q349 PolarHBondContact O-N 3.33Å; E320-K350 HydrophobicContact CB-CB 3.85Å; E320-K350 HydrophobicContact CG-CB 4.08Å; E320-K350 HydrophobicContact CG-CD 4.38Å; E320-K350 PolarHBondContact N-O 3.41Å; E320-K350 PolarHBondContact O-N 3.5Å; E320-K350 VanDerWaalsContact O-N 3.15Å; E320-K350 WeakPolarHBondContact OE1-CD 3.43Å; E320-K350 IonicContact OE1-NZ 2.68Å
321T85.5Confident85.7Confident58 Ų5835.5 Ų35.536%0.35621%0.207SC..EExtended strand (participates in β ladder)trans-130.7152.817956.10000109.9A318 N345 R347A318-T321 HydrophobicContact CB-CG2 3.95Å; T321-N345 PolarHBondContact OG1-OD1 2.97Å; T321-R347 CarbonylContact C-O 3.53Å; T321-R347 VanDerWaalsContact CA-O 3.24Å; T321-R347 WeakPolarHBondContact CA-O 3.35Å
322A85.9Confident86.4Confident11 Ų1137.4 Ų37.49%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-118.1152.2175.500000110.9M346 R347 Q349A322-M346 PolarHBondContact O-N 3.12Å; A322-M346 VanDerWaalsContact O-N 3.08Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 3.26Å; A322-R347 PolarHBondContact O-N 2.89Å; A322-R347 VanDerWaalsContact O-N 3.11Å; A322-Q349 HydrophobicContact CB-CG 3.79Å
323S89.8Confident86.3Confident43 Ų4340.3 Ų40.330%0.30124%0.244SC..EExtended strand (participates in β ladder)trans-77.8147.2173.159.70000111.6S68 P325 S342 L343S68-S323 VanDerWaalsContact CB-O 3.27Å; S68-S323 WeakPolarHBondContact CB-O 3.33Å; S323-P325 WeakPolarHBondContact O-CD 3.35Å; S323-S342 PolarHBondContact OG-OG 3.01Å; S323-L343 CarbonylContact C-O 3.47Å; S323-L343 WeakPolarHBondContact CA-O 3.45Å; S323-L343 VanDerWaalsContact CB-O 3.26Å; S323-L343 WeakPolarHBondContact CB-O 3.36Å
324L89.8Confident86Confident15 Ų1540 Ų408%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-101.2110.3174178.369.2000109.7L27 P285 F288 M326 S342 L343 M346L27-L324 HydrophobicContact CD1-CD2 4.41Å; P285-L324 HydrophobicContact CG-CD1 4.3Å; F288-L324 HydrophobicContact CB-CD1 4.16Å; F288-L324 HydrophobicContact CD1-CD1 4.28Å; F288-L324 HydrophobicContact CD1-CD2 3.67Å; F288-L324 HydrophobicContact CD2-CD1 4.03Å; F288-L324 HydrophobicContact CD2-CD2 4.1Å; F288-L324 HydrophobicContact CE1-CD2 3.43Å; F288-L324 VanDerWaalsContact CE1-CD2 3.43Å; F288-L324 HydrophobicContact CE2-CD2 3.87Å; F288-L324 HydrophobicContact CG-CD1 3.89Å; F288-L324 HydrophobicContact CG-CD2 4.01Å; F288-L324 HydrophobicContact CZ-CD2 3.54Å; L324-M326 HydrophobicContact CD2-CG 4.05Å; L324-M326 HydrophobicContact CD2-SD 3.93Å; L324-M326 HydrophobicContact CG-CG 3.97Å; L324-M326 HydrophobicContact CG-SD 4.46Å; L324-S342 WeakPolarHBondContact O-CA 3.31Å; L324-L343 PolarHBondContact N-O 3.11Å; L324-L343 PolarHBondContact O-N 2.76Å; L324-M346 HydrophobicContact CB-CB 3.51Å; L324-M346 HydrophobicContact CB-CG 3.92Å; L324-M346 HydrophobicContact CD2-CB 4.35Å
325P90.5Very high85.8Confident0 Ų048.3 Ų48.30%029%0.287CS..EExtended strand (participates in β ladder)trans-73.5139.6167.530.9-32.1000110.3Y61 L64 L65 S323 V341Y61-P325 HydrophobicContact CD2-CB 4.01Å; Y61-P325 HydrophobicContact CD2-CG 4.46Å; Y61-P325 HydrophobicContact CE2-CB 4.11Å; Y61-P325 HydrophobicContact CE2-CG 4.2Å; Y61-P325 WeakPolarHBondContact CE2-O 3.43Å; L64-P325 HydrophobicContact CB-CB 3.72Å; L64-P325 HydrophobicContact CB-CG 4.08Å; L64-P325 HydrophobicContact CD1-CB 4.21Å; L65-P325 HydrophobicContact CB-CG 4.27Å; L65-P325 HydrophobicContact CD1-CG 4.16Å; S323-P325 WeakPolarHBondContact O-CD 3.35Å; P325-V341 CarbonylContact C-O 3.54Å; P325-V341 WeakPolarHBondContact CA-O 3.47Å
326M90.5Very high85.6Confident0 Ų046.9 Ų46.90%028%0.282CS..EExtended strand (participates in β ladder)trans-135.5146.8178.4-59.3-177.367.500109.6L27 L31 L272 V282 E284 L324 V328 V340 V341 L343L27-M326 HydrophobicContact CD2-CE 4.27Å; L27-M326 HydrophobicContact CD2-SD 4.33Å; L31-M326 HydrophobicContact CD1-CE 3.76Å; L31-M326 HydrophobicContact CD1-SD 3.59Å; L31-M326 VanDerWaalsContact CD1-SD 3.59Å; L272-M326 HydrophobicContact CD1-CE 3.74Å; V282-M326 HydrophobicContact CG1-CE 3.54Å; V282-M326 HydrophobicContact CG2-CE 4.36Å; E284-M326 CarbonylContact O-C 3.46Å; E284-M326 WeakPolarHBondContact O-CA 3.4Å; L324-M326 HydrophobicContact CD2-CG 4.05Å; L324-M326 HydrophobicContact CD2-SD 3.93Å; L324-M326 HydrophobicContact CG-CG 3.97Å; L324-M326 HydrophobicContact CG-SD 4.46Å; M326-V328 HydrophobicContact CB-CG1 4.49Å; M326-V340 CarbonylContact O-C 3.55Å; M326-V340 WeakPolarHBondContact O-CA 3.45Å; M326-V341 PolarHBondContact N-O 2.88Å; M326-V341 PolarHBondContact O-N 3.45Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 VanDerWaalsContact SD-CD1 3.5Å; M326-L343 HydrophobicContact SD-CG 4.34Å
327I89.2Confident85.4Confident3 Ų352 Ų522%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-104120167.5-53.1-178.9000107I53 V57 Y61 L283 E284 P338 Q339 V340I53-I327 HydrophobicContact CD1-CD1 4.3Å; I53-I327 HydrophobicContact CD1-CG2 4.35Å; I53-I327 HydrophobicContact CG2-CD1 4.22Å; V57-I327 HydrophobicContact CG1-CG2 4.18Å; Y61-I327 HydrophobicContact CD1-CD1 4.15Å; Y61-I327 HydrophobicContact CD2-CD1 4.08Å; Y61-I327 HydrophobicContact CD2-CG1 3.62Å; Y61-I327 HydrophobicContact CE2-CG1 4.23Å; Y61-I327 HydrophobicContact CG-CD1 3.76Å; Y61-I327 HydrophobicContact CG-CG1 3.82Å; L283-I327 HydrophobicContact CB-CB 4.33Å; L283-I327 HydrophobicContact CB-CG2 4.24Å; L283-I327 HydrophobicContact CD1-CG2 4.04Å; L283-I327 PolarHBondContact N-O 2.78Å; E284-I327 HydrophobicContact CB-CB 4.03Å; E284-I327 HydrophobicContact CB-CD1 4.07Å; E284-I327 HydrophobicContact CB-CG1 3.99Å; E284-I327 HydrophobicContact CG-CD1 4.08Å; E284-I327 PolarHBondContact N-O 2.88Å; E284-I327 PolarHBondContact O-N 2.81Å; I327-P338 HydrophobicContact CG2-CB 4.16Å; I327-Q339 WeakPolarHBondContact CA-O 3.44Å; I327-V340 HydrophobicContact CG1-CG2 4.49Å
328V91.6Very high85.5Confident0 Ų051.3 Ų51.30%030%0.296CS..EExtended strand (participates in β ladder)trans-120.4152.2178.4-60.40000110.3L31 L35 W281 V282 M326 I330 P338 Q339 V341L31-V328 HydrophobicContact CD1-CG1 4.13Å; L31-V328 HydrophobicContact CD2-CG1 4.48Å; L35-V328 HydrophobicContact CD1-CG2 4.13Å; L35-V328 HydrophobicContact CD2-CG2 4.44Å; W281-V328 HydrophobicContact CE3-CB 3.96Å; W281-V328 HydrophobicContact CE3-CG1 4.29Å; W281-V328 HydrophobicContact CZ3-CB 4.2Å; W281-V328 HydrophobicContact CZ3-CG1 4.3Å; W281-V328 CarbonylContact O-C 3.55Å; W281-V328 VanDerWaalsContact O-CA 3.26Å; W281-V328 WeakPolarHBondContact O-CA 3.35Å; V282-V328 HydrophobicContact CG2-CG1 4.42Å; M326-V328 HydrophobicContact CB-CG1 4.49Å; V328-I330 HydrophobicContact CG2-CG2 4.49Å; V328-P338 CarbonylContact O-C 3.5Å; V328-P338 VanDerWaalsContact O-CA 3.29Å; V328-P338 WeakPolarHBondContact O-CA 3.39Å; V328-Q339 PolarHBondContact N-O 3.48Å; V328-Q339 PolarHBondContact O-N 3.4Å; V328-V341 HydrophobicContact CG2-CG2 3.62Å
329S89.4Confident85.5Confident0 Ų053.5 Ų53.50%030%0.299CS..EExtended strand (participates in β ladder)trans-105.5127.1174.3-171.70000109.6L43 W281L43-S329 WeakPolarHBondContact CD1-OG 3.41Å; W281-S329 PolarHBondContact O-N 3.47Å
330I88.1Confident85.8Confident29 Ų2952.3 Ų52.315%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-126.5148.6178.255.5167.9000110.2L35 L37 P41 V328 E332 T336 R337L35-I330 HydrophobicContact CD1-CG2 4.37Å; L37-I330 HydrophobicContact CD1-CG2 4.38Å; P41-I330 HydrophobicContact CG-CG2 4.44Å; V328-I330 HydrophobicContact CG2-CG2 4.49Å; I330-E332 PolarHBondContact O-N 3.28Å; I330-T336 WeakPolarHBondContact O-CA 3.35Å; I330-R337 PolarHBondContact N-O 2.9Å; I330-R337 PolarHBondContact O-N 3.12Å
331K83.3Confident86.1Confident99 Ų9948.4 Ų48.443%0.4327%0.272SS..EExtended strand (participates in β ladder)trans-84.8110.1172.5-80.2-177.8173.7175.10109.1L43 D47 T336L43-K331 HydrophobicContact CD2-CD 4.01Å; L43-K331 HydrophobicContact CD2-CG 3.79Å; D47-K331 WeakPolarHBondContact OD2-CE 3.43Å; D47-K331 IonicContact OD2-NZ 3.26Å; D47-K331 PolarHBondContact OD2-NZ 2.96Å; K331-T336 HydrophobicContact CG-CG2 3.82Å
332E76.9Confident86.3Confident112 Ų11247.2 Ų47.252%0.52327%0.266SS..EExtended strand (participates in β ladder)trans-121.1115.4177.8-164.5-176.4-153.600108.9I330 G334 R335 R337I330-E332 PolarHBondContact O-N 3.28Å; E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 3.27Å; E332-R335 PolarHBondContact N-O 3.01Å; E332-R335 PolarHBondContact O-N 3.26Å; E332-R337 IonicContact OE2-NH1 3.05Å
333G69.1Low86.5Confident87 Ų8746.7 Ų46.790%0.89726%0.262SS*.THydrogen-bonded Turntrans61.331.9-178.700000114.5R335G333-R335 VanDerWaalsContact C-N 3.34Å; G333-R335 PolarHBondContact O-N 3.39Å
334G75.2Confident86.4Confident75 Ų7548.3 Ų48.377%0.77327%0.271SS*.THydrogen-bonded Turntrans82.12.3179.400000115.4E332E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 3.27Å
335R79Confident86.3Confident186 Ų18652.7 Ų52.770%0.70230%0.295SS*.EExtended strand (participates in β ladder)trans-115.3141172.6-67.4-175.1179.4179.70.4110.7E332 G333E332-R335 PolarHBondContact N-O 3.01Å; E332-R335 PolarHBondContact O-N 3.26Å; G333-R335 VanDerWaalsContact C-N 3.34Å; G333-R335 PolarHBondContact O-N 3.39Å
336T84.7Confident86.1Confident34 Ų3453.3 Ų53.321%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-74.1125.5170.439.20000109.7L43 D47 I330 K331L43-T336 HydrophobicContact CD1-CG2 4.41Å; L43-T336 HydrophobicContact CD2-CG2 3.56Å; D47-T336 HydrophobicContact CB-CG2 4Å; I330-T336 WeakPolarHBondContact O-CA 3.35Å; K331-T336 HydrophobicContact CG-CG2 3.82Å
337R86.5Confident85.9Confident130 Ų13055 Ų5549%0.49130%0.304SS..EExtended strand (participates in β ladder)trans-130128.5179.4-71-174.3172.9-179.6-1.9110.4I330 E332I330-R337 PolarHBondContact N-O 2.9Å; I330-R337 PolarHBondContact O-N 3.12Å; E332-R337 IonicContact OE2-NH1 3.05Å
338P89.6Confident85.8Confident21 Ų2155.8 Ų55.814%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-78.1135.1173.430.7-31.5000110.5P54 L283 I327 V328P54-P338 HydrophobicContact CG-CG 4.26Å; L283-P338 HydrophobicContact CD1-CB 4.04Å; I327-P338 HydrophobicContact CG2-CB 4.16Å; V328-P338 CarbonylContact O-C 3.5Å; V328-P338 VanDerWaalsContact O-CA 3.29Å; V328-P338 WeakPolarHBondContact O-CA 3.39Å
339Q90.7Very high85.5Confident92 Ų9257.7 Ų57.743%0.4332%0.318SS..EExtended strand (participates in β ladder)trans-133.5146.7179.2-174.1177.821.400110.4I327 V328I327-Q339 WeakPolarHBondContact CA-O 3.44Å; V328-Q339 PolarHBondContact N-O 3.48Å; V328-Q339 PolarHBondContact O-N 3.4Å
340V90.9Very high85.4Confident16 Ų1663 Ų6310%0.09734%0.341CS..EExtended strand (participates in β ladder)trans-88.4127172.1-170.10000110.2V57 Q60 L64 M326 I327V57-V340 HydrophobicContact CB-CG2 4.47Å; V57-V340 HydrophobicContact CG1-CG2 3.52Å; V57-V340 WeakPolarHBondContact O-CG2 3.45Å; Q60-V340 HydrophobicContact CB-CG2 4.24Å; Q60-V340 HydrophobicContact CG-CB 4.44Å; Q60-V340 HydrophobicContact CG-CG2 4.25Å; L64-V340 HydrophobicContact CD1-CG1 3.8Å; M326-V340 CarbonylContact O-C 3.55Å; M326-V340 WeakPolarHBondContact O-CA 3.45Å; I327-V340 HydrophobicContact CG1-CG2 4.49Å
341V91.5Very high85.4Confident6 Ų662 Ų624%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-114.1147.9172.4-177.90000108.2Q34 L35 P325 M326 V328 L343Q34-V341 VanDerWaalsContact CD-CG1 3.48Å; Q34-V341 HydrophobicContact CG-CG1 3.96Å; L35-V341 HydrophobicContact CD2-CG2 3.59Å; L35-V341 HydrophobicContact CG-CG2 4.25Å; P325-V341 CarbonylContact C-O 3.54Å; P325-V341 WeakPolarHBondContact CA-O 3.47Å; M326-V341 PolarHBondContact N-O 2.88Å; M326-V341 PolarHBondContact O-N 3.45Å; V328-V341 HydrophobicContact CG2-CG2 3.62Å; V341-L343 HydrophobicContact CG1-CD2 4.43Å
342S90.3Very high85.6Confident33 Ų3358.8 Ų58.823%0.23133%0.326CS..EExtended strand (participates in β ladder)trans-129.4108176.2175.70000109.3Q34 S323 L324Q34-S342 PolarHBondContact NE2-O 3.28Å; Q34-S342 PolarHBondContact OE1-O 3.12Å; S323-S342 PolarHBondContact OG-OG 3.01Å; L324-S342 WeakPolarHBondContact O-CA 3.31Å
343L89.3Confident86.1Confident0 Ų053.8 Ų53.80%030%0.304CS..EExtended strand (participates in β ladder)trans-85.7122.5-179.7-65.8174.5000110.1L27 L31 S323 L324 M326 V341 M346L27-L343 HydrophobicContact CD2-CD1 4.38Å; L27-L343 HydrophobicContact CG-CD1 4.2Å; L31-L343 HydrophobicContact CB-CD1 4.32Å; L31-L343 HydrophobicContact CB-CD2 4.13Å; L31-L343 HydrophobicContact CD1-CD1 4.16Å; S323-L343 CarbonylContact C-O 3.47Å; S323-L343 WeakPolarHBondContact CA-O 3.45Å; S323-L343 VanDerWaalsContact CB-O 3.26Å; S323-L343 WeakPolarHBondContact CB-O 3.36Å; L324-L343 PolarHBondContact N-O 3.11Å; L324-L343 PolarHBondContact O-N 2.76Å; M326-L343 HydrophobicContact SD-CD1 3.5Å; M326-L343 VanDerWaalsContact SD-CD1 3.5Å; M326-L343 HydrophobicContact SD-CG 4.34Å; V341-L343 HydrophobicContact CG1-CD2 4.43Å; L343-M346 HydrophobicContact CB-CE 3.8Å; L343-M346 HydrophobicContact CB-CG 3.44Å; L343-M346 VanDerWaalsContact CB-CG 3.44Å; L343-M346 HydrophobicContact CB-SD 4.29Å; L343-M346 HydrophobicContact CD1-CE 4.16Å; L343-M346 HydrophobicContact CD1-CG 4.29Å; L343-M346 HydrophobicContact CD1-SD 4.44Å; L343-M346 HydrophobicContact CG-CE 4.39Å
344P88.9Confident86.7Confident76 Ų7650.6 Ų50.649%0.49427%0.269SS..EExtended strand (participates in β ladder)trans-72.6155.8178.330.9-34.7000111.9M346P344-M346 VanDerWaalsContact C-N 3.27Å; P344-M346 PolarHBondContact O-N 3.05Å
345N86.6Confident86.7Confident107 Ų10748.5 Ų48.557%0.57224%0.243SC*.EExtended strand (participates in β ladder)trans59.326.6171.4-52.4-41.7000116.5T321T321-N345 PolarHBondContact OG1-OD1 2.97Å
346M87.4Confident86Confident14 Ų1443.8 Ų43.87%0.06923%0.232CC..EExtended strand (participates in β ladder)trans-89.2-19.8-175.4-68.2-60157.800114.1L22 L27 A322 L324 L343 P344L22-M346 HydrophobicContact CD1-SD 3.85Å; L22-M346 HydrophobicContact CD2-SD 4.2Å; L27-M346 HydrophobicContact CD1-SD 4.45Å; A322-M346 PolarHBondContact O-N 3.12Å; A322-M346 VanDerWaalsContact O-N 3.08Å; L324-M346 HydrophobicContact CB-CB 3.51Å; L324-M346 HydrophobicContact CB-CG 3.92Å; L324-M346 HydrophobicContact CD2-CB 4.35Å; L343-M346 HydrophobicContact CB-CE 3.8Å; L343-M346 HydrophobicContact CB-CG 3.44Å; L343-M346 VanDerWaalsContact CB-CG 3.44Å; L343-M346 HydrophobicContact CB-SD 4.29Å; L343-M346 HydrophobicContact CD1-CE 4.16Å; L343-M346 HydrophobicContact CD1-CG 4.29Å; L343-M346 HydrophobicContact CD1-SD 4.44Å; L343-M346 HydrophobicContact CG-CE 4.39Å; P344-M346 VanDerWaalsContact C-N 3.27Å; P344-M346 PolarHBondContact O-N 3.05Å
347R84.8Confident84.6Confident34 Ų3445 Ų4513%0.12825%0.25CS..EExtended strand (participates in β ladder)trans-124.6123.7177.5-174.9168.777.8-166.23.7111.5S68 H69 L289 A290 Y291 T321 A322 Q349S68-R347 VanDerWaalsContact C-NH2 3.27Å; S68-R347 PolarHBondContact O-NH2 3.25Å; H69-R347 PolarHBondContact CD2-NH2 2.83Å; H69-R347 PolarHBondContact CE1-NH1 2.95Å; H69-R347 PolarHBondContact ND1-NH2 2.86Å; H69-R347 PolarHBondContact NE2-NH1 3.23Å; L289-R347 WeakPolarHBondContact O-CD 3.44Å; L289-R347 WeakPolarHBondContact O-CG 3.46Å; A290-R347 CarbonylContact O-C 3.59Å; A290-R347 WeakPolarHBondContact O-CA 3.2Å; Y291-R347 HydrophobicContact CD2-CG 4.02Å; Y291-R347 HydrophobicContact CE2-CG 4.41Å; T321-R347 CarbonylContact C-O 3.53Å; T321-R347 VanDerWaalsContact CA-O 3.24Å; T321-R347 WeakPolarHBondContact CA-O 3.35Å; A322-R347 HydrophobicContact CB-CB 4.42Å; A322-R347 PolarHBondContact N-O 3.26Å; A322-R347 PolarHBondContact O-N 2.89Å; A322-R347 VanDerWaalsContact O-N 3.11Å; R347-Q349 VanDerWaalsContact NH2-NE2 3.1Å; R347-Q349 PolarHBondContact O-N 2.63Å
348V88.5Confident83.1Confident20 Ų2041 Ų4112%0.12125%0.245CC..EExtended strand (participates in β ladder)trans-74.9120.4173.7-179.90000109.7R265 A290 Y291 C293 A318R265-V348 WeakPolarHBondContact CD-O 3.5Å; R265-V348 HydrophobicContact CG-CG1 4.29Å; R265-V348 PolarHBondContact NH1-O 3.46Å; R265-V348 VanDerWaalsContact NH1-O 3.14Å; A290-V348 PolarHBondContact O-N 3.21Å; Y291-V348 WeakPolarHBondContact O-CG2 3.47Å; C293-V348 VanDerWaalsContact SG-CG1 3.59Å; A318-V348 HydrophobicContact CB-CG1 4.02Å; A318-V348 HydrophobicContact CB-CG2 4.04Å
349Q84.9Confident80.9Confident40 Ų4048 Ų4819%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-94.8-34.8176.9-67.4-66.6-3.200112S68 R265 E320 A322 R347S68-Q349 PolarHBondContact O-NE2 3.33Å; S68-Q349 VanDerWaalsContact O-NE2 3.11Å; R265-Q349 PolarHBondContact NH1-O 2.81Å; E320-Q349 HydrophobicContact CB-CB 4.02Å; E320-Q349 WeakPolarHBondContact O-CA 3.46Å; E320-Q349 WeakPolarHBondContact O-CB 3.41Å; E320-Q349 PolarHBondContact O-N 3.33Å; A322-Q349 HydrophobicContact CB-CG 3.79Å; R347-Q349 VanDerWaalsContact NH2-NE2 3.1Å; R347-Q349 PolarHBondContact O-N 2.63Å
350K86.4Confident78.6Confident111 Ų11147.5 Ų47.548%0.48328%0.284SS..EExtended strand (participates in β ladder)trans-152139.5-178.3-167.5-179.9179.2-175.40111.2S319 E320S319-K350 PolarHBondContact N-O 2.95Å; S319-K350 WeakPolarHBondContact OG-CB 3.41Å; S319-K350 PolarHBondContact OG-O 2.95Å; E320-K350 HydrophobicContact CB-CB 3.85Å; E320-K350 HydrophobicContact CG-CB 4.08Å; E320-K350 HydrophobicContact CG-CD 4.38Å; E320-K350 PolarHBondContact N-O 3.41Å; E320-K350 PolarHBondContact O-N 3.5Å; E320-K350 VanDerWaalsContact O-N 3.15Å; E320-K350 WeakPolarHBondContact OE1-CD 3.43Å; E320-K350 IonicContact OE1-NZ 2.68Å
351C88.2Confident76Confident9 Ų951.6 Ų51.66%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-100.3149.3170.5-58.20000110.4A247 R265 C293 I317A247-C351 HydrophobicContact CB-CB 4.26Å; A247-C351 WeakPolarHBondContact CB-O 3.46Å; R265-C351 VanDerWaalsContact CB-SG 3.58Å; C293-C351 WeakPolarHBondContact CA-SG 3.43Å; C293-C351 HydrophobicContact CB-CB 3.87Å; C293-C351 WeakPolarHBondContact CB-SG 3.1Å; C293-C351 VanDerWaalsContact SG-CA 3.53Å; C293-C351 WeakPolarHBondContact SG-CB 3.4Å; C293-C351 CovalentContact SG-SG 2.03Å; C293-C351 PolarHBondContact SG-SG 3.12Å; I317-C351 CarbonylContact O-C 3.58Å; I317-C351 WeakPolarHBondContact O-CA 3.38Å
352S87.9Confident73.3Confident31 Ų3162.1 Ų62.122%0.21735%0.35CS..EExtended strand (participates in β ladder)trans-145.6155.6173.9740000111.1I317 S319I317-S352 PolarHBondContact N-O 3.33Å; I317-S352 PolarHBondContact O-N 3.43Å; S319-S352 VanDerWaalsContact CB-OG 3.3Å; S319-S352 WeakPolarHBondContact CB-OG 3.45Å
353C87.1Confident70.4Confident7 Ų763.8 Ų63.85%0.04737%0.372CS..EExtended strand (participates in β ladder)trans-86.3124.3165.5-68.50000109.7Y245 C297 R314 Q315Y245-C353 WeakPolarHBondContact O-CB 3Å; C297-C353 VanDerWaalsContact CA-SG 3.6Å; C297-C353 HydrophobicContact CB-CB 3.66Å; C297-C353 WeakPolarHBondContact CB-SG 3.28Å; C297-C353 WeakPolarHBondContact SG-CA 3.46Å; C297-C353 WeakPolarHBondContact SG-CB 3.49Å; C297-C353 CovalentContact SG-SG 2.03Å; C297-C353 PolarHBondContact SG-SG 2.77Å; R314-C353 PolarHBondContact NH2-O 3.23Å; Q315-C353 WeakPolarHBondContact O-CA 3.23Å
354A82.3Confident67.6Low21 Ų2170.9 Ų70.917%0.17441%0.409CS..EExtended strand (participates in β ladder)trans-141.3147.7176.200000110.5R314 Q315 I317R314-A354 CarbonylContact C-O 3.55Å; R314-A354 VanDerWaalsContact CA-O 3.3Å; R314-A354 WeakPolarHBondContact CA-O 3.04Å; Q315-A354 PolarHBondContact N-O 3.24Å; Q315-A354 PolarHBondContact O-N 2.85Å; Q315-A354 VanDerWaalsContact O-N 3.09Å; I317-A354 HydrophobicContact CD1-CB 3.68Å; I317-A354 HydrophobicContact CG1-CB 4.11Å
355S76.3Confident64.5Low30 Ų3075.9 Ų75.921%0.2143%0.426CS..EExtended strand (participates in β ladder)trans-71138.5175.3-58.70000111R314 G357 A358R314-S355 WeakPolarHBondContact CG-OG 3.28Å; S355-G357 PolarHBondContact O-N 2.73Å; S355-A358 WeakPolarHBondContact O-CB 3.24Å; S355-A358 PolarHBondContact O-N 3.5Å
356D63.8Low61.9Low88 Ų8880.2 Ų80.247%0.47146%0.46SS..THydrogen-bonded Turntrans-60.1133.5174.3-165.83.9000110.5L311 G312 P313 A358L311-D356 WeakPolarHBondContact CA-O 3.2Å; G312-D356 PolarHBondContact N-O 2.91Å; G312-D356 VanDerWaalsContact N-O 3.08Å; P313-D356 PolarHBondContact O-N 2.78Å; D356-A358 VanDerWaalsContact C-N 3.31Å; D356-A358 PolarHBondContact O-N 3.18Å
357G55.5Low60.7Low58 Ų5883.6 Ų83.660%0.59848%0.48SS*.THydrogen-bonded Turntrans80.8-4.4-172.600000116S355 L359S355-G357 PolarHBondContact O-N 2.73Å; G357-L359 PolarHBondContact O-N 3.36Å
358A54Low59.4Low47 Ų4786.2 Ų86.239%0.38850%0.498SS..  trans-66.7126.7170.600000109.5L311 S355 D356 V360L311-A358 HydrophobicContact CD2-CB 4.34Å; S355-A358 WeakPolarHBondContact O-CB 3.24Å; S355-A358 PolarHBondContact O-N 3.5Å; D356-A358 VanDerWaalsContact C-N 3.31Å; D356-A358 PolarHBondContact O-N 3.18Å; A358-V360 PolarHBondContact O-N 3.28Å
359L44.2Very low57.8Low167 Ų16789.8 Ų89.887%0.87452%0.519SS*.  trans-60.1102.5169.8-72.2168.8000107.5G357 P361G357-L359 PolarHBondContact O-N 3.36Å; L359-P361 VanDerWaalsContact O-CD 3.3Å; L359-P361 WeakPolarHBondContact O-CD 3.39Å
360V42.2Very low56.2Low82 Ų8292.8 Ų92.850%0.49754%0.539SS..  trans-50120167.41780000105.6I317 A358 R362I317-V360 HydrophobicContact CD1-CG2 4.38Å; A358-V360 PolarHBondContact O-N 3.28Å; V360-R362 PolarHBondContact O-N 2.78Å
361P36.6Very low54.3Low103 Ų10391.6 Ų91.667%0.66954%0.542SS*.  trans-6689.3179.3-13.526.4000107.1L359 G363L359-P361 VanDerWaalsContact O-CD 3.3Å; L359-P361 WeakPolarHBondContact O-CD 3.39Å; P361-G363 VanDerWaalsContact C-N 3.35Å; P361-G363 PolarHBondContact O-N 3.23Å
362R34.5Very low52Low227 Ų22797.1 Ų97.186%0.85757%0.574SS**  trans-60.7109164.1-71.2-173177-175.10.2103.5V360 L364V360-R362 PolarHBondContact O-N 2.78Å; R362-L364 PolarHBondContact O-N 3.02Å
363G29.2Very low49.5Very low68 Ų68101.9 Ų101.970%0.70160%0.6SS**  trans-46.1115.517500000107P361 Q365P361-G363 VanDerWaalsContact C-N 3.35Å; P361-G363 PolarHBondContact O-N 3.23Å; G363-Q365 VanDerWaalsContact C-N 3.33Å; G363-Q365 PolarHBondContact O-N 3.31Å
364L30.6Very low46.6Very low149 Ų149109.2 Ų109.278%0.7864%0.642SS**  trans-57107.9174.6-75.4164.6000104.8R362R362-L364 PolarHBondContact O-N 3.02Å
365Q22.8Very low43.6Very low181 Ų181116.5 Ų116.585%0.84668%0.681SS**  trans-56.9141169.3-96.6174.9-25.900107.3G363G363-Q365 VanDerWaalsContact C-N 3.33Å; G363-Q365 PolarHBondContact O-N 3.31Å
366P33.8Very low40.7Very low198 Ų198124.4 Ų124.4100%1.28672%0.724SS**  trans-56.80-173.724.1-34.4000113.3

Retrieved 366 of 366 residues in 575 ms (Link to these results)