A0A087YMA6_POEFO Loading...

Amyloid-beta A4 precursor protein-binding family B member 3

May modulate the internalization of amyloid-beta precursor protein.

AlphaFold DB , UniProt , Accession A0A087YMA6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 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
1M27.4Very low34.5Very low217 Ų21765.7 Ų65.7100%1.06934%0.342SS*.  046.30-169.4168.2163.500110
2M29.5Very low34.7Very low121 Ų12166.7 Ų66.760%0.59635%0.346SS*.  trans-126.21.5-169.8-65.2-160.4-6300115.1K4M2-K4 PolarHBondContact O-N 2.75Å
3G30.5Very low34.7Very low31 Ų3167.2 Ų67.232%0.3235%0.354SS..Hα-helixtrans-79.211178.600000115.3
4K34.6Very low34.7Very low82 Ų8271.3 Ų71.336%0.35738%0.376SS..Hα-helixtrans-87.8-39.3-178.8-68.4-173.5-177.2177.10111.9M2 L8M2-K4 PolarHBondContact O-N 2.75Å; K4-L8 WeakPolarHBondContact O-CG 3.48Å; K4-L8 PolarHBondContact O-N 3.42Å; K4-L8 VanDerWaalsContact O-N 3.15Å
5D34.5Very low34.6Very low108 Ų10875.7 Ų75.758%0.57839%0.387SS*.Hα-helixtrans-78.6-28.5-171.2-49.4-47.8000111.7L8 A9D5-L8 WeakPolarHBondContact O-CB 3.31Å; D5-A9 PolarHBondContact O-N 3.11Å
6Y36.6Very low34.2Very low40 Ų4079.7 Ų79.716%0.15741%0.409CS..Hα-helixtrans-76.5-38.8174.9-58.2-59.5000114L8 A9 I10 A292 T347 Q367Y6-L8 VanDerWaalsContact C-N 3.26Å; Y6-L8 PolarHBondContact O-N 3.01Å; Y6-A9 WeakPolarHBondContact O-CB 3.29Å; Y6-A9 PolarHBondContact O-N 3.26Å; Y6-A9 VanDerWaalsContact O-N 3.09Å; Y6-I10 WeakPolarHBondContact O-CG1 3.41Å; Y6-I10 PolarHBondContact O-N 2.94Å; Y6-A292 HydrophobicContact CD1-CB 4.14Å; Y6-A292 HydrophobicContact CE1-CB 3.77Å; Y6-T347 HydrophobicContact CD1-CG2 4.03Å; Y6-T347 HydrophobicContact CD2-CG2 4.03Å; Y6-T347 HydrophobicContact CG-CG2 3.77Å; Y6-Q367 PolarHBondContact OH-NE2 3.19Å; Y6-Q367 PolarHBondContact OH-OE1 3Å
7M37.5Very low34.1Very low7 Ų782.1 Ų82.13%0.03442%0.423CS..Hα-helixtrans-63.8-37.2169.8-78.3-162.1-63.600110.8A9 I11 Q394 Y395M7-A9 VanDerWaalsContact C-N 3.35Å; M7-I11 WeakPolarHBondContact O-CB 3.47Å; M7-I11 WeakPolarHBondContact O-CD1 3.32Å; M7-I11 WeakPolarHBondContact O-CG1 3.24Å; M7-I11 PolarHBondContact O-N 3.29Å; M7-Q394 HydrophobicContact SD-CB 3.8Å; M7-Y395 HydrophobicContact CB-CD2 4.39Å; M7-Y395 HydrophobicContact CE-CD2 4.5Å
8L36.5Very low33.9Very low56 Ų5685.3 Ų85.329%0.29344%0.441SS..Hα-helixtrans-61.5-41.2169.1-81.3167.5000111.4K4 D5 Y6 I11 I12 Y395K4-L8 WeakPolarHBondContact O-CG 3.48Å; K4-L8 PolarHBondContact O-N 3.42Å; K4-L8 VanDerWaalsContact O-N 3.15Å; D5-L8 WeakPolarHBondContact O-CB 3.31Å; Y6-L8 VanDerWaalsContact C-N 3.26Å; Y6-L8 PolarHBondContact O-N 3.01Å; L8-I11 CarbonylContact O-C 3.59Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-I12 HydrophobicContact CB-CD1 4.04Å; L8-I12 HydrophobicContact CD2-CD1 4.44Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.25Å; L8-Y395 HydrophobicContact CD2-CE2 3.88Å; L8-Y395 HydrophobicContact CG-CE2 4.01Å
9A32.6Very low33.6Very low14 Ų1489.2 Ų89.212%0.11646%0.461CS..Hα-helixtrans-65.4-42.4176.300000113.8D5 Y6 M7 I11 I12 V13 M293D5-A9 PolarHBondContact O-N 3.11Å; Y6-A9 WeakPolarHBondContact O-CB 3.29Å; Y6-A9 PolarHBondContact O-N 3.26Å; Y6-A9 VanDerWaalsContact O-N 3.09Å; M7-A9 VanDerWaalsContact C-N 3.35Å; A9-I11 PolarHBondContact O-N 3.45Å; A9-I12 PolarHBondContact O-N 3.03Å; A9-V13 VanDerWaalsContact O-CG2 3.3Å; A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 2.98Å; A9-M293 HydrophobicContact CB-CE 3.9Å; A9-M293 HydrophobicContact CB-SD 3.82Å
10I40.3Very low33.5Very low17 Ų1795.7 Ų95.79%0.08748%0.48CS..Hα-helixtrans-59.7-37173.8-67.9167.7000110.9Y6 L346 T347 L349Y6-I10 WeakPolarHBondContact O-CG1 3.41Å; Y6-I10 PolarHBondContact O-N 2.94Å; I10-L346 HydrophobicContact CD1-CB 4.03Å; I10-L346 WeakPolarHBondContact CD1-O 3.43Å; I10-T347 WeakPolarHBondContact CG1-O 3.24Å; I10-L349 HydrophobicContact CG2-CD2 3.96Å
11I39.1Very low33.4Very low30 Ų3097.6 Ų97.615%0.15450%0.496CS..Hα-helixtrans-73.3-55.1175.9-68.6166.4000109.7M7 L8 A9 V13 N14 Y15 Y395M7-I11 WeakPolarHBondContact O-CB 3.47Å; M7-I11 WeakPolarHBondContact O-CD1 3.32Å; M7-I11 WeakPolarHBondContact O-CG1 3.24Å; M7-I11 PolarHBondContact O-N 3.29Å; L8-I11 CarbonylContact O-C 3.59Å; L8-I11 PolarHBondContact O-N 3.3Å; A9-I11 PolarHBondContact O-N 3.45Å; I11-V13 PolarHBondContact O-N 2.88Å; I11-N14 CarbonylContact O-C 3.52Å; I11-N14 VanDerWaalsContact O-C 3.23Å; I11-N14 WeakPolarHBondContact O-CA 3.35Å; I11-N14 PolarHBondContact O-N 3.07Å; I11-Y15 HydrophobicContact CG2-CG 4.1Å; I11-Y15 WeakPolarHBondContact O-CA 3.38Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 PolarHBondContact O-N 3.31Å; I11-Y395 HydrophobicContact CD1-CD1 3.52Å; I11-Y395 HydrophobicContact CD1-CD2 4.13Å; I11-Y395 HydrophobicContact CD1-CE1 4.05Å; I11-Y395 HydrophobicContact CD1-CG 3.56Å
12I37.3Very low33.8Very low77 Ų7794.6 Ų94.640%0.39549%0.485SS..Hα-helixtrans-61.3-36.2-173.1-70.6162.9000113.1L8 A9 N14 Y15L8-I12 HydrophobicContact CB-CD1 4.04Å; L8-I12 HydrophobicContact CD2-CD1 4.44Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3.25Å; A9-I12 PolarHBondContact O-N 3.03Å; I12-N14 PolarHBondContact O-N 3.32Å; I12-Y15 CarbonylContact O-C 3.57Å; I12-Y15 PolarHBondContact O-N 2.85Å
13V34.7Very low34Very low74 Ų7496.8 Ų96.845%0.44849%0.493SS..THydrogen-bonded Turntrans-63.9-11.2175.51790000112.5A9 I11 M293 F348A9-V13 VanDerWaalsContact O-CG2 3.3Å; A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 2.98Å; I11-V13 PolarHBondContact O-N 2.88Å; V13-M293 HydrophobicContact CG2-CE 3.49Å; V13-M293 VanDerWaalsContact CG2-CE 3.49Å; V13-F348 HydrophobicContact CB-CE2 4.33Å; V13-F348 HydrophobicContact CG1-CE2 3.98Å; V13-F348 HydrophobicContact CG1-CZ 4.41Å; V13-F348 HydrophobicContact CG2-CE2 4.32Å
14N34.7Very low33.9Very low124 Ų124102.2 Ų102.266%0.66352%0.515SS*.THydrogen-bonded Turntrans-129.417.1169.7-97.1-29.6000113.2I11 I12I11-N14 CarbonylContact O-C 3.52Å; I11-N14 VanDerWaalsContact O-C 3.23Å; I11-N14 WeakPolarHBondContact O-CA 3.35Å; I11-N14 PolarHBondContact O-N 3.07Å; I12-N14 PolarHBondContact O-N 3.32Å
15Y33Very low34Very low138 Ų138106.3 Ų106.354%0.54154%0.54SS..  trans-163.760.4-168.7-142-78.3000112.3I11 I12I11-Y15 HydrophobicContact CG2-CG 4.1Å; I11-Y15 WeakPolarHBondContact O-CA 3.38Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 PolarHBondContact O-N 3.31Å; I12-Y15 CarbonylContact O-C 3.57Å; I12-Y15 PolarHBondContact O-N 2.85Å
16D28.7Very low34.1Very low139 Ų139107.8 Ų107.874%0.74355%0.547SS*.  trans-68.2141.5153.5-93-40.6000109.1
17D32.8Very low34.4Very low120 Ų120113.7 Ų113.764%0.64258%0.58SS**  trans80.993.8-176.1-68.9-16.8000118.9
18N30.3Very low34.9Very low140 Ų140116.2 Ų116.275%0.74959%0.594SS**  -174.6106.5120.1-102-70.8000111.6
19I27.5Very low35.6Very low160 Ų160119.1 Ų119.182%0.82162%0.616SS**  trans-125.5101170.9-56.4-178.9000110.8
20W31.5Very low36.7Very low219 Ų219124.8 Ų124.883%0.8365%0.645SS**  trans19.2116.5147.7-55.885.5000119.2
21T32.8Very low37.8Very low136 Ų136125.4 Ų125.483%0.83465%0.648SS**  -166.1132113.37.30000114.6
22D35.3Very low39Very low153 Ų153124.8 Ų124.882%0.81865%0.646SS**  trans-64.5144.6158.8-82.2-65.3000111.6
23Q32.4Very low39.9Very low167 Ų167127 Ų12778%0.7867%0.668SS**  trans-156132.8150.6-122.1168.2100.800113.9
24N29.7Very low41.2Very low146 Ų146124.6 Ų124.678%0.78166%0.659SS**  trans102.276.9166.3-55.9-48.2000118.6
25L35.3Very low42.6Very low168 Ų168121 Ų12188%0.8864%0.636SS**  trans-78.5111.3159.7-79.5160.4000111.5
26L37.4Very low44.1Very low139 Ų139121.2 Ų121.273%0.72864%0.636SS**  trans-136105.4157.8-92.4167.2000108.5D28L26-D28 PolarHBondContact O-N 3.19Å
27L43.5Very low45.9Very low163 Ų163115.7 Ų115.785%0.85361%0.607SS**  trans-78.9116.9177.4-73.9162.8000109.7
28D46.8Very low47.5Very low60 Ų60112.5 Ų112.532%0.32159%0.589SS.*  trans-88.1116.6174.6-145.1-31.4000109L26 D30 L31 T37L26-D28 PolarHBondContact O-N 3.19Å; D28-D30 VanDerWaalsContact C-N 3.29Å; D28-D30 PolarHBondContact O-N 3.25Å; D28-L31 HydrophobicContact CB-CD1 4.09Å; D28-L31 HydrophobicContact CB-CG 4.35Å; D28-T37 WeakPolarHBondContact CB-OG1 3.46Å
29P51Low48.6Very low117 Ų117111.8 Ų111.876%0.7658%0.58SS**THydrogen-bonded Turntrans-74.7-11.6-167.228.4-35.3000115.3
30D56.5Low50.1Low133 Ų133107.6 Ų107.671%0.71156%0.559SS**THydrogen-bonded Turntrans-93.46.4-177-72.3-22.3000114D28D28-D30 VanDerWaalsContact C-N 3.29Å; D28-D30 PolarHBondContact O-N 3.25Å
31L62.9Low51Low30 Ų30103.3 Ų103.316%0.15756%0.562CS.*SBendtrans-81140.1-179.8-77.8174.1000113.5D28 W35 T37 Y46 P59D28-L31 HydrophobicContact CB-CD1 4.09Å; D28-L31 HydrophobicContact CB-CG 4.35Å; L31-W35 HydrophobicContact CB-CB 4.19Å; L31-W35 HydrophobicContact CD1-CB 4.36Å; L31-W35 HydrophobicContact CD2-CB 3.96Å; L31-W35 HydrophobicContact CG-CB 4.42Å; L31-T37 WeakPolarHBondContact CD1-OG1 3.37Å; L31-Y46 HydrophobicContact CD1-CD1 4.43Å; L31-Y46 HydrophobicContact CD2-CD1 3.69Å; L31-Y46 HydrophobicContact CD2-CE1 4.16Å; L31-P59 HydrophobicContact CD2-CG 4.08Å
32P64.6Low51.6Low18 Ų18101.7 Ų101.712%0.11755%0.552CS.*PPolyproline II helixtrans-62.8153169.6-13.626.8000111.4G34 W35 P59 L61P32-G34 PolarHBondContact O-N 3.43Å; P32-W35 WeakPolarHBondContact O-CB 3.39Å; P32-W35 PolarHBondContact O-N 3.46Å; P32-P59 HydrophobicContact CG-CB 3.93Å; P32-L61 HydrophobicContact CB-CD2 3.96Å; P32-L61 HydrophobicContact CB-CG 4.27Å; P32-L61 HydrophobicContact CG-CD2 4.3Å; P32-L61 HydrophobicContact CG-CG 4.19Å
33S56.7Low52.2Low122 Ų12295.7 Ų95.785%0.85353%0.527SS*.THydrogen-bonded Turntrans-52.2135.4178-1690000111.6
34G61.5Low53.7Low24 Ų2490.2 Ų90.225%0.24751%0.505CS..THydrogen-bonded Turntrans90.2-15.5-175.800000115.3P32 H48 V49 P50P32-G34 PolarHBondContact O-N 3.43Å; G34-H48 VanDerWaalsContact C-CD2 3.5Å; G34-H48 CarbonylContact O-C 3.49Å; G34-V49 PolarHBondContact O-N 3.33Å; G34-P50 WeakPolarHBondContact O-CD 3.27Å
35W64.9Low55Low50 Ų5086.2 Ų86.219%0.18948%0.479CS..EExtended strand (participates in β ladder)trans-89.6147.7177.8-66.984.8000113.1L31 P32 W47 H48 Q55 P59L31-W35 HydrophobicContact CB-CB 4.19Å; L31-W35 HydrophobicContact CD1-CB 4.36Å; L31-W35 HydrophobicContact CD2-CB 3.96Å; L31-W35 HydrophobicContact CG-CB 4.42Å; P32-W35 WeakPolarHBondContact O-CB 3.39Å; P32-W35 PolarHBondContact O-N 3.46Å; W35-W47 CarbonylContact C-O 3.58Å; W35-W47 WeakPolarHBondContact CA-O 3.47Å; W35-H48 AromaticContact CD1-CD2 3.38Å; W35-H48 HydrophobicContact CD2-CB 3.74Å; W35-H48 AromaticContact CD2-CD2 3.8Å; W35-H48 AromaticContact CE2-CD2 3.54Å; W35-H48 AromaticContact CE2-CG 3.74Å; W35-H48 HydrophobicContact CE3-CB 3.73Å; W35-H48 HydrophobicContact CG-CB 4.47Å; W35-H48 AromaticContact CG-CD2 3.76Å; W35-H48 HydrophobicContact CH2-CB 3.74Å; W35-H48 HydrophobicContact CZ2-CB 3.74Å; W35-H48 AromaticContact CZ2-CG 3.99Å; W35-H48 HydrophobicContact CZ3-CB 3.72Å; W35-H48 AromaticContact NE1-CD2 3.24Å; W35-H48 PolarHBondContact NE1-CD2 3.05Å; W35-H48 AromaticContact NE1-CG 3.89Å; W35-H48 AromaticContact NE1-NE2 3.85Å; W35-Q55 HydrophobicContact CH2-CG 3.98Å; W35-Q55 HydrophobicContact CZ3-CG 3.72Å; W35-P59 HydrophobicContact CB-CG 4.43Å; W35-P59 HydrophobicContact CD2-CB 3.97Å; W35-P59 HydrophobicContact CD2-CG 3.37Å; W35-P59 HydrophobicContact CE3-CB 4.43Å; W35-P59 HydrophobicContact CE3-CG 3.42Å; W35-P59 VanDerWaalsContact CE3-CG 3.42Å; W35-P59 HydrophobicContact CG-CB 4.25Å; W35-P59 HydrophobicContact CG-CG 3.85Å; W35-P59 HydrophobicContact CH2-CG 4.21Å; W35-P59 HydrophobicContact CZ2-CB 4.32Å; W35-P59 HydrophobicContact CZ2-CG 4.17Å; W35-P59 HydrophobicContact CZ3-CG 3.87Å
36R64.5Low56.7Low142 Ų14279.7 Ų79.754%0.53644%0.443SS..EExtended strand (participates in β ladder)trans-132.5141.5173.7-67-174.6-179179.87.7110.7Y46 W47 V49R36-Y46 CarbonylContact O-C 3.59Å; R36-Y46 WeakPolarHBondContact O-CA 3.36Å; R36-W47 PolarHBondContact N-O 3.15Å; R36-W47 PolarHBondContact O-N 3.31Å; R36-V49 HydrophobicContact CG-CG2 3.74Å
37T65.2Low57.6Low23 Ų2377.1 Ų77.114%0.14142%0.424CS..EExtended strand (participates in β ladder)trans-82.7126.6168-55.20000109.6D28 L31 K39 T44 Y46D28-T37 WeakPolarHBondContact CB-OG1 3.46Å; L31-T37 WeakPolarHBondContact CD1-OG1 3.37Å; T37-K39 HydrophobicContact CG2-CG 4.14Å; T37-T44 HydrophobicContact CG2-CG2 3.37Å; T37-Y46 HydrophobicContact CG2-CD1 4.44Å; T37-Y46 HydrophobicContact CG2-CE1 4.06Å; T37-Y46 WeakPolarHBondContact OG1-CE1 3.41Å
38I66.8Low58.2Low53 Ų5371 Ų7127%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-109.2136.9168.3-49.8-60.7000108.2T44 Y45 W47I38-T44 WeakPolarHBondContact O-CA 3.11Å; I38-Y45 HydrophobicContact CB-CD1 4.15Å; I38-Y45 HydrophobicContact CB-CD2 4.18Å; I38-Y45 HydrophobicContact CB-CE1 3.77Å; I38-Y45 HydrophobicContact CB-CE2 3.82Å; I38-Y45 HydrophobicContact CB-CG 4.34Å; I38-Y45 HydrophobicContact CG1-CD2 4.38Å; I38-Y45 HydrophobicContact CG1-CE2 3.84Å; I38-Y45 HydrophobicContact CG2-CD1 4.38Å; I38-Y45 HydrophobicContact CG2-CE1 3.6Å; I38-Y45 HydrophobicContact CG2-CE2 4.25Å; I38-Y45 PolarHBondContact N-O 2.81Å; I38-Y45 PolarHBondContact O-N 3.41Å; I38-W47 HydrophobicContact CD1-CE3 4.46Å; I38-W47 HydrophobicContact CG1-CB 4.27Å
39K54.7Low58.5Low125 Ų12570.7 Ų70.754%0.54339%0.391SS..EExtended strand (participates in β ladder)trans-126.5124.4176.7-62.9-169.8175.1175.90109T37 T44T37-K39 HydrophobicContact CG2-CG 4.14Å; K39-T44 HydrophobicContact CG-CG2 3.98Å
40D57.5Low58.1Low72 Ų7269.6 Ų69.639%0.38538%0.384SS..  trans-131.2-168.4178.265.623.6000110.7T42 G43 Y45D40-T42 PolarHBondContact O-N 2.58Å; D40-T42 VanDerWaalsContact OD1-CA 3.3Å; D40-T42 WeakPolarHBondContact OD1-CA 3.27Å; D40-T42 WeakPolarHBondContact OD1-CB 3.5Å; D40-T42 PolarHBondContact OD1-N 2.68Å; D40-T42 PolarHBondContact OD1-OG1 2.7Å; D40-T42 PolarHBondContact OD2-OG1 2.98Å; D40-G43 PolarHBondContact N-O 3.24Å; D40-G43 VanDerWaalsContact N-O 3.08Å; D40-G43 PolarHBondContact OD1-N 3.27Å; D40-Y45 WeakPolarHBondContact OD2-CE1 3.44Å
41S50.7Low57.4Low129 Ų12968 Ų6890%0.90238%0.379SS*.SBendtrans-73.9-9.2177.750.60000114.4
42T45.6Very low56.6Low101 Ų10168.7 Ų68.762%0.6239%0.394SS*.SBendtrans-102.9-25.7-178.475.50000112.7D40D40-T42 PolarHBondContact O-N 2.58Å; D40-T42 VanDerWaalsContact OD1-CA 3.3Å; D40-T42 WeakPolarHBondContact OD1-CA 3.27Å; D40-T42 WeakPolarHBondContact OD1-CB 3.5Å; D40-T42 PolarHBondContact OD1-N 2.68Å; D40-T42 PolarHBondContact OD1-OG1 2.7Å; D40-T42 PolarHBondContact OD2-OG1 2.98Å
43G47.8Very low55.9Low28 Ų2869.9 Ų69.929%0.28941%0.405SS..  trans164.4-150.5172.300000114.5D40D40-G43 PolarHBondContact N-O 3.24Å; D40-G43 VanDerWaalsContact N-O 3.08Å; D40-G43 PolarHBondContact OD1-N 3.27Å
44T65.1Low56.2Low52 Ų5268.5 Ų68.532%0.31939%0.392SS..EExtended strand (participates in β ladder)trans-120124.6172-60.80000108.3T37 I38 K39T37-T44 HydrophobicContact CG2-CG2 3.37Å; I38-T44 WeakPolarHBondContact O-CA 3.11Å; K39-T44 HydrophobicContact CG-CG2 3.98Å
45Y56.8Low56.2Low62 Ų6270.6 Ų70.624%0.24340%0.395CS..EExtended strand (participates in β ladder)trans-130.6161.7175.870.6-90.7000110.9I38 D40 T54 W56I38-Y45 HydrophobicContact CB-CD1 4.15Å; I38-Y45 HydrophobicContact CB-CD2 4.18Å; I38-Y45 HydrophobicContact CB-CE1 3.77Å; I38-Y45 HydrophobicContact CB-CE2 3.82Å; I38-Y45 HydrophobicContact CB-CG 4.34Å; I38-Y45 HydrophobicContact CG1-CD2 4.38Å; I38-Y45 HydrophobicContact CG1-CE2 3.84Å; I38-Y45 HydrophobicContact CG2-CD1 4.38Å; I38-Y45 HydrophobicContact CG2-CE1 3.6Å; I38-Y45 HydrophobicContact CG2-CE2 4.25Å; I38-Y45 PolarHBondContact N-O 2.81Å; I38-Y45 PolarHBondContact O-N 3.41Å; D40-Y45 WeakPolarHBondContact OD2-CE1 3.44Å; Y45-T54 HydrophobicContact CD2-CG2 4.32Å; Y45-T54 HydrophobicContact CE2-CG2 4.08Å; Y45-W56 HydrophobicContact CD1-CH2 4.25Å; Y45-W56 HydrophobicContact CD1-CZ3 4.25Å
46Y70.2Confident56.4Low30 Ų3076 Ų7612%0.11842%0.416CS..EExtended strand (participates in β ladder)trans-116.7131.8-172.7-54.1-85000109.7L31 R36 T37 T54 Q55 Q57 H58 P59L31-Y46 HydrophobicContact CD1-CD1 4.43Å; L31-Y46 HydrophobicContact CD2-CD1 3.69Å; L31-Y46 HydrophobicContact CD2-CE1 4.16Å; R36-Y46 CarbonylContact O-C 3.59Å; R36-Y46 WeakPolarHBondContact O-CA 3.36Å; T37-Y46 HydrophobicContact CG2-CD1 4.44Å; T37-Y46 HydrophobicContact CG2-CE1 4.06Å; T37-Y46 WeakPolarHBondContact OG1-CE1 3.41Å; Y46-T54 CarbonylContact O-C 3.57Å; Y46-T54 WeakPolarHBondContact O-CA 3.36Å; Y46-Q55 PolarHBondContact N-O 2.97Å; Y46-Q55 PolarHBondContact O-N 2.86Å; Y46-Q57 WeakPolarHBondContact CD2-O 3.49Å; Y46-H58 HydrophobicContact CE1-CB 4.47Å; Y46-H58 AromaticContact CE1-CD2 3.52Å; Y46-H58 HydrophobicContact CE2-CB 3.99Å; Y46-H58 AromaticContact CZ-CD2 3.57Å; Y46-H58 AromaticContact CZ-CG 3.99Å; Y46-H58 PolarHBondContact OH-CD2 3.49Å; Y46-P59 HydrophobicContact CG-CG 4.44Å
47W56.4Low56.4Low85 Ų8576.6 Ų76.632%0.32243%0.425SS..EExtended strand (participates in β ladder)trans-120.2124.4-176.4175.644.2000110.7W35 R36 I38 V49 G52 A53 T54W35-W47 CarbonylContact C-O 3.58Å; W35-W47 WeakPolarHBondContact CA-O 3.47Å; R36-W47 PolarHBondContact N-O 3.15Å; R36-W47 PolarHBondContact O-N 3.31Å; I38-W47 HydrophobicContact CD1-CE3 4.46Å; I38-W47 HydrophobicContact CG1-CB 4.27Å; W47-V49 HydrophobicContact CD2-CG2 4.22Å; W47-V49 HydrophobicContact CE3-CG2 3.93Å; W47-V49 HydrophobicContact CH2-CG1 4.3Å; W47-V49 HydrophobicContact CH2-CG2 4.28Å; W47-V49 HydrophobicContact CZ2-CG1 4.49Å; W47-V49 HydrophobicContact CZ3-CG2 3.97Å; W47-V49 PolarHBondContact O-N 3.13Å; W47-G52 PolarHBondContact NE1-O 3.4Å; W47-A53 CarbonylContact C-O 3.6Å; W47-A53 WeakPolarHBondContact CA-O 3.27Å; W47-T54 HydrophobicContact CB-CG2 4.15Å; W47-T54 HydrophobicContact CG-CG2 4.13Å
48H56.6Low56.8Low34 Ų3478.7 Ų78.716%0.15743%0.432CS..EExtended strand (participates in β ladder)trans-89100.2173.5-166.7-125.7000109.9G34 W35 P50 T51 G52 A53G34-H48 VanDerWaalsContact C-CD2 3.5Å; G34-H48 CarbonylContact O-C 3.49Å; W35-H48 AromaticContact CD1-CD2 3.38Å; W35-H48 HydrophobicContact CD2-CB 3.74Å; W35-H48 AromaticContact CD2-CD2 3.8Å; W35-H48 AromaticContact CE2-CD2 3.54Å; W35-H48 AromaticContact CE2-CG 3.74Å; W35-H48 HydrophobicContact CE3-CB 3.73Å; W35-H48 HydrophobicContact CG-CB 4.47Å; W35-H48 AromaticContact CG-CD2 3.76Å; W35-H48 HydrophobicContact CH2-CB 3.74Å; W35-H48 HydrophobicContact CZ2-CB 3.74Å; W35-H48 AromaticContact CZ2-CG 3.99Å; W35-H48 HydrophobicContact CZ3-CB 3.72Å; W35-H48 AromaticContact NE1-CD2 3.24Å; W35-H48 PolarHBondContact NE1-CD2 3.05Å; W35-H48 AromaticContact NE1-CG 3.89Å; W35-H48 AromaticContact NE1-NE2 3.85Å; H48-P50 VanDerWaalsContact C-CD 3.5Å; H48-T51 WeakPolarHBondContact ND1-CG2 3.5Å; H48-T51 PolarHBondContact ND1-OG1 3.47Å; H48-T51 PolarHBondContact O-N 3.09Å; H48-G52 WeakPolarHBondContact O-CA 3.34Å; H48-G52 PolarHBondContact O-N 3.3Å; H48-A53 HydrophobicContact CB-CB 4.37Å; H48-A53 PolarHBondContact N-O 3.36Å; H48-A53 PolarHBondContact O-N 2.93Å
49V53.5Low56.5Low54 Ų5476.6 Ų76.633%0.32742%0.423SS..G310 helixtrans-55.8-43.1-174.6-175.30000113G34 R36 W47 T51G34-V49 PolarHBondContact O-N 3.33Å; R36-V49 HydrophobicContact CG-CG2 3.74Å; W47-V49 HydrophobicContact CD2-CG2 4.22Å; W47-V49 HydrophobicContact CE3-CG2 3.93Å; W47-V49 HydrophobicContact CH2-CG1 4.3Å; W47-V49 HydrophobicContact CH2-CG2 4.28Å; W47-V49 HydrophobicContact CZ2-CG1 4.49Å; W47-V49 HydrophobicContact CZ3-CG2 3.97Å; W47-V49 PolarHBondContact O-N 3.13Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.95Å
50P42.1Very low56.7Low95 Ų9581.1 Ų81.162%0.61744%0.436SS*.G310 helixtrans-69.4-23.7-178-20.533.8000115G34 H48G34-P50 WeakPolarHBondContact O-CD 3.27Å; H48-P50 VanDerWaalsContact C-CD 3.5Å
51T41.5Very low56.1Low98 Ų9884.9 Ų84.960%0.60146%0.455SS*.G310 helixtrans-118.63.4-176.969.40000113.5H48 V49 A53H48-T51 WeakPolarHBondContact ND1-CG2 3.5Å; H48-T51 PolarHBondContact ND1-OG1 3.47Å; H48-T51 PolarHBondContact O-N 3.09Å; V49-T51 VanDerWaalsContact C-N 3.33Å; V49-T51 PolarHBondContact O-N 2.95Å; T51-A53 PolarHBondContact O-N 3.04Å
52G46.7Very low55.4Low46 Ų4685.1 Ų85.147%0.47445%0.451SS..THydrogen-bonded Turntrans67-1.4-176.200000115.7W47 H48W47-G52 PolarHBondContact NE1-O 3.4Å; H48-G52 WeakPolarHBondContact O-CA 3.34Å; H48-G52 PolarHBondContact O-N 3.3Å
53A49.1Very low54.8Low43 Ų4383.3 Ų83.336%0.35545%0.453SS..EExtended strand (participates in β ladder)trans-73.8135.6-169.200000112.3W47 H48 T51W47-A53 CarbonylContact C-O 3.6Å; W47-A53 WeakPolarHBondContact CA-O 3.27Å; H48-A53 HydrophobicContact CB-CB 4.37Å; H48-A53 PolarHBondContact N-O 3.36Å; H48-A53 PolarHBondContact O-N 2.93Å; T51-A53 PolarHBondContact O-N 3.04Å
54T62.1Low53.8Low93 Ų9389 Ų8957%0.57148%0.482SS*.EExtended strand (participates in β ladder)trans-116.8143.7176.552.10000111.3Y45 Y46 W47Y45-T54 HydrophobicContact CD2-CG2 4.32Å; Y45-T54 HydrophobicContact CE2-CG2 4.08Å; Y46-T54 CarbonylContact O-C 3.57Å; Y46-T54 WeakPolarHBondContact O-CA 3.36Å; W47-T54 HydrophobicContact CB-CG2 4.15Å; W47-T54 HydrophobicContact CG-CG2 4.13Å
55Q61.5Low52.5Low68 Ų6892.5 Ų92.532%0.31851%0.506SS..EExtended strand (participates in β ladder)trans-151148.9176.764.2-176.352.700112.1W35 Y46 Q57W35-Q55 HydrophobicContact CH2-CG 3.98Å; W35-Q55 HydrophobicContact CZ3-CG 3.72Å; Y46-Q55 PolarHBondContact N-O 2.97Å; Y46-Q55 PolarHBondContact O-N 2.86Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 WeakPolarHBondContact CG-O 3.31Å; Q55-Q57 PolarHBondContact NE2-O 2.82Å
56W71.1Confident51Low164 Ų16499.2 Ų99.262%0.62154%0.537SS*.SBendtrans-82.8-9179.1-64.295.8000114.1Y45Y45-W56 HydrophobicContact CD1-CH2 4.25Å; Y45-W56 HydrophobicContact CD1-CZ3 4.25Å
57Q63.8Low49.2Very low154 Ų154102.9 Ų102.972%0.7256%0.564SS**SBendtrans-105.6139.2-174.1-65.6162.6-2.100110.1Y46 Q55 P59Y46-Q57 WeakPolarHBondContact CD2-O 3.49Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 WeakPolarHBondContact CG-O 3.31Å; Q55-Q57 PolarHBondContact NE2-O 2.82Å; Q57-P59 WeakPolarHBondContact O-CD 3.28Å
58H72.4Confident48Very low66 Ų66106 Ų10631%0.30659%0.587SS.*  trans-65.1122.2-177.6-166.7-65.6000110.9Y46 R60Y46-H58 HydrophobicContact CE1-CB 4.47Å; Y46-H58 AromaticContact CE1-CD2 3.52Å; Y46-H58 HydrophobicContact CE2-CB 3.99Å; Y46-H58 AromaticContact CZ-CD2 3.57Å; Y46-H58 AromaticContact CZ-CG 3.99Å; Y46-H58 PolarHBondContact OH-CD2 3.49Å; H58-R60 PolarHBondContact O-N 3.37Å
59P61.2Low46.5Very low10 Ų10113.4 Ų113.47%0.06562%0.621CS.*  trans-60135.7175.9-16.927.2000110.8L31 P32 W35 Y46 Q57L31-P59 HydrophobicContact CD2-CG 4.08Å; P32-P59 HydrophobicContact CG-CB 3.93Å; W35-P59 HydrophobicContact CB-CG 4.43Å; W35-P59 HydrophobicContact CD2-CB 3.97Å; W35-P59 HydrophobicContact CD2-CG 3.37Å; W35-P59 HydrophobicContact CE3-CB 4.43Å; W35-P59 HydrophobicContact CE3-CG 3.42Å; W35-P59 VanDerWaalsContact CE3-CG 3.42Å; W35-P59 HydrophobicContact CG-CB 4.25Å; W35-P59 HydrophobicContact CG-CG 3.85Å; W35-P59 HydrophobicContact CH2-CG 4.21Å; W35-P59 HydrophobicContact CZ2-CB 4.32Å; W35-P59 HydrophobicContact CZ2-CG 4.17Å; W35-P59 HydrophobicContact CZ3-CG 3.87Å; Y46-P59 HydrophobicContact CG-CG 4.44Å; Q57-P59 WeakPolarHBondContact O-CD 3.28Å
60R58.3Low45.1Very low219 Ų219115.8 Ų115.883%0.82664%0.636SS**  trans-120.8142.9175.6-70.1-174.7176.3-178.7-0.9110.6H58 T62H58-R60 PolarHBondContact O-N 3.37Å; R60-T62 PolarHBondContact O-N 2.71Å
61L45.2Very low44.4Very low151 Ų151120.4 Ų120.479%0.79165%0.649SS**  trans-75.8104.7171.5-73168.5000110P32P32-L61 HydrophobicContact CB-CD2 3.96Å; P32-L61 HydrophobicContact CB-CG 4.27Å; P32-L61 HydrophobicContact CG-CD2 4.3Å; P32-L61 HydrophobicContact CG-CG 4.19Å
62T36.8Very low43.4Very low134 Ų134123.6 Ų123.682%0.82266%0.657SS**  trans-119108.1167.340.30000110.3R60R60-T62 PolarHBondContact O-N 2.71Å
63G32.1Very low42.4Very low64 Ų64130 Ų13066%0.6668%0.675SS**  trans-87.9174.8168.500000113
64T27.3Very low41.3Very low146 Ų146136.4 Ų136.490%0.89670%0.697SS**  trans68.1121.5177.160.50000117.7
65P37.8Very low39.5Very low126 Ų126136.7 Ų136.782%0.81871%0.709SS**  trans-102.2146.2175.537.5-32.4000113.6
66K25.7Very low37.7Very low203 Ų203137.3 Ų137.388%0.88373%0.734SS**  trans-164.4168.4154.4-118.1-165.8175-177.20111.2
67P31.5Very low35.4Very low107 Ų107136.8 Ų136.870%0.69574%0.743SS**  -127.5-175.1-110.242.1-25.4000114.9
68L32.8Very low33.6Very low152 Ų152138.5 Ų138.580%0.79675%0.751SS**  trans-6.9129.9164.7-100.882.6000117.6
69E24Very low31.3Very low189 Ų189140.7 Ų140.788%0.88377%0.774SS**  trans-125.1125140.7-81.5-168150.200110.7
70T24.5Very low29.5Very low103 Ų103145.2 Ų145.263%0.63281%0.812SS**  trans-83.4138.4172.1-54.30000109.1
71Q26.2Very low27.9Very low193 Ų193140.6 Ų140.690%0.90281%0.808SS**  trans-129.2146.4150.7-70.3-167.5800109.9
72Q22.6Very low27Very low164 Ų164141.5 Ų141.577%0.76681%0.806SS**  trans-133.3173-162.8178.1175.8-11.100107.9
73E25.6Very low26.5Very low180 Ų180143.5 Ų143.584%0.84181%0.806SS**  trans93.6138.7176.9-58.4178-175.500115.9
74E25.5Very low26.3Very low179 Ų179147.4 Ų147.484%0.83682%0.817SS**  cis-158.6172.9-32.5-135.6-172-162.400110.8
75A23.7Very low26.5Very low98 Ų98147 Ų14781%0.8181%0.805SS**  trans-11.8141.5174.400000121.7
76G23Very low26.1Very low82 Ų82143.2 Ų143.285%0.84579%0.789SS**  trans-162.364.8168.800000112.4
77D23Very low26.4Very low152 Ų152137.6 Ų137.681%0.81378%0.78SS**  trans-77.9120.5-178.8-177.823.3000112
78Q27.6Very low26.6Very low191 Ų191136.5 Ų136.589%0.89378%0.775SS**  trans-146121.5160-71.9-162.413.600111
79S23.4Very low26.6Very low111 Ų111135.4 Ų135.478%0.77677%0.766SS**  trans-84.1137.7178.453.80000112.9
80A23.7Very low27.1Very low105 Ų105132.3 Ų132.387%0.86875%0.751SS**  trans-140.3111.7159.300000108.5
81T24.4Very low27.7Very low122 Ų122131.6 Ų131.675%0.74874%0.737SS**  trans-89.3136.7-171.444.30000113.5
82K27.1Very low28.1Very low170 Ų170125.3 Ų125.374%0.73972%0.715SS**  trans66.2154.3150.2-62.3-176.4165.7-165.40116.4
83E24.5Very low28.5Very low176 Ų176120.9 Ų120.982%0.82270%0.701SS**  cis-140.5132.716.3-66.4170.6160.900110.9
84T28.7Very low29Very low147 Ų147120.4 Ų120.490%0.90269%0.692SS**  trans-170.653.6138.5-56.70000107.5
85E31Very low29.7Very low138 Ų138117.6 Ų117.665%0.64568%0.679SS**  trans-96.3122.3169.8-74164.715200106.9
86G29.8Very low30.5Very low46 Ų46120.1 Ų120.147%0.47467%0.674SS.*SBendtrans178.9-45.8-175.800000112.1
87A32Very low31.1Very low84 Ų84122.8 Ų122.869%0.69466%0.664SS**Hα-helixtrans-85.7-23.5175.600000114.1
88S35.9Very low32.2Very low84 Ų84121.3 Ų121.359%0.58765%0.648SS**Hα-helixtrans-87-30.7-173.5-165.50000114.1S92S88-S92 PolarHBondContact O-N 2.95Å; S88-S92 PolarHBondContact O-OG 3.02Å
89E32Very low33.1Very low129 Ų129118.1 Ų118.160%0.60364%0.637SS**Hα-helixtrans-78.9-40.9-179.6-63.2-173136.500111W91 S92 S93E89-W91 VanDerWaalsContact C-N 3.33Å; E89-W91 PolarHBondContact O-N 2.92Å; E89-S92 PolarHBondContact O-N 3.03Å; E89-S92 VanDerWaalsContact O-N 3.1Å; E89-S93 PolarHBondContact O-N 2.98Å
90E35.6Very low33.9Very low124 Ų124118.9 Ų118.958%0.57964%0.637SS**Hα-helixtrans-59.2-44173.2-164.4165.6-146.100110.7S92 S93 W94E90-S92 VanDerWaalsContact C-N 3.3Å; E90-S92 PolarHBondContact O-N 3.47Å; E90-S93 WeakPolarHBondContact O-CB 3.25Å; E90-S93 PolarHBondContact O-N 2.79Å; E90-W94 PolarHBondContact O-N 3.03Å
91W36.1Very low34.9Very low89 Ų89120.5 Ų120.534%0.33763%0.631SS.*Hα-helixtrans-59.9-36.9173.8-162.4-69.8000113.4E89 Q95 A110 E160E89-W91 VanDerWaalsContact C-N 3.33Å; E89-W91 PolarHBondContact O-N 2.92Å; W91-Q95 PolarHBondContact O-N 2.71Å; W91-A110 HydrophobicContact CZ2-CB 4.17Å; W91-E160 HydrophobicContact CH2-CB 4.34Å; W91-E160 WeakPolarHBondContact CH2-OE2 3.25Å; W91-E160 VanDerWaalsContact CZ3-OE2 3.32Å; W91-E160 WeakPolarHBondContact CZ3-OE2 3.22Å
92S35.6Very low36.4Very low61 Ų61118.2 Ų118.243%0.42761%0.612SS.*Hα-helixtrans-73.3-35178.9-57.20000111.6S88 E89 E90 Q95 E96S88-S92 PolarHBondContact O-N 2.95Å; S88-S92 PolarHBondContact O-OG 3.02Å; E89-S92 PolarHBondContact O-N 3.03Å; E89-S92 VanDerWaalsContact O-N 3.1Å; E90-S92 VanDerWaalsContact C-N 3.3Å; E90-S92 PolarHBondContact O-N 3.47Å; S92-Q95 WeakPolarHBondContact O-CB 3.22Å; S92-Q95 PolarHBondContact O-N 2.89Å; S92-E96 PolarHBondContact O-N 3.31Å
93S29.8Very low37.8Very low70 Ų70113.3 Ų113.349%0.4959%0.594SS.*Hα-helixtrans-61.9-47.9176.2-166.70000112.2E89 E90 Q95 E96 E97E89-S93 PolarHBondContact O-N 2.98Å; E90-S93 WeakPolarHBondContact O-CB 3.25Å; E90-S93 PolarHBondContact O-N 2.79Å; S93-Q95 PolarHBondContact O-N 2.82Å; S93-E96 PolarHBondContact O-N 3.24Å; S93-E97 PolarHBondContact O-N 3.23Å
94W36.1Very low39.7Very low171 Ų171111 Ų11165%0.64859%0.593SS**Hα-helixtrans-64.4-25.3175.9-60.7116.6000112.9E90E90-W94 PolarHBondContact O-N 3.03Å
95Q41.5Very low41.6Very low119 Ų119108.4 Ų108.456%0.55657%0.574SS**Hα-helixtrans-77.1-22178.1-164.6167.212.400113.2W91 S92 S93 L99W91-Q95 PolarHBondContact O-N 2.71Å; S92-Q95 WeakPolarHBondContact O-CB 3.22Å; S92-Q95 PolarHBondContact O-N 2.89Å; S93-Q95 PolarHBondContact O-N 2.82Å; Q95-L99 WeakPolarHBondContact O-CD1 3.5Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.36Å
96E40.2Very low44.1Very low151 Ų151102.6 Ų102.671%0.70655%0.549SS*.Hα-helixtrans-92.4-40.3175-88.6-175.7152.200113.4S92 S93 Y98 L99S92-E96 PolarHBondContact O-N 3.31Å; S93-E96 PolarHBondContact O-N 3.24Å; E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 3.31Å; E96-L99 PolarHBondContact O-N 3Å
97E36.3Very low46.9Very low138 Ų138104 Ų10465%0.64554%0.542SS*.Hα-helixtrans-64.5-32.9-172.6-163.1165.8-159.500113S93 T100S93-E97 PolarHBondContact O-N 3.23Å; E97-T100 PolarHBondContact O-OG1 2.87Å
98Y44.7Very low49.8Very low122 Ų122102.4 Ų102.448%0.47853%0.525SS..G310 helixtrans-91.1-5.1-178.5-150.1-100.7000115.1E96 T100 H102E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 3.31Å; Y98-T100 PolarHBondContact O-N 2.98Å; Y98-T100 VanDerWaalsContact O-N 3.16Å; Y98-H102 AromaticContact CD1-CE1 3.96Å; Y98-H102 AromaticContact CD1-NE2 3.42Å; Y98-H102 WeakPolarHBondContact CD1-NE2 3.27Å; Y98-H102 AromaticContact CE1-CE1 3.61Å; Y98-H102 AromaticContact CE1-NE2 3.56Å
99L46.2Very low52.5Low123 Ų12399.6 Ų99.664%0.64450%0.503SS*.G310 helixtrans-70.8-5.5174.8-76.6172.3000113.4Q95 E96Q95-L99 WeakPolarHBondContact O-CD1 3.5Å; Q95-L99 VanDerWaalsContact O-CG 3.26Å; Q95-L99 WeakPolarHBondContact O-CG 3.36Å; E96-L99 PolarHBondContact O-N 3Å
100T41.8Very low55.5Low127 Ų12794.1 Ų94.178%0.77948%0.479SS*.G310 helixtrans-85.4-13.3-171.8-31.20000114.7E97 Y98E97-T100 PolarHBondContact O-OG1 2.87Å; Y98-T100 PolarHBondContact O-N 2.98Å; Y98-T100 VanDerWaalsContact O-N 3.16Å
101D44.3Very low58.2Low140 Ų14088.4 Ų88.475%0.74945%0.453SS*.SBendtrans-126.511.3-173.2-163.345.6000114.6D103D101-D103 PolarHBondContact O-N 3.25Å
102H55.3Low60.9Low74 Ų7489.4 Ų89.434%0.34346%0.457SS..  trans-83.9118.2-177.2-85.7-49000114.2Y98Y98-H102 AromaticContact CD1-CE1 3.96Å; Y98-H102 AromaticContact CD1-NE2 3.42Å; Y98-H102 WeakPolarHBondContact CD1-NE2 3.27Å; Y98-H102 AromaticContact CE1-CE1 3.61Å; Y98-H102 AromaticContact CE1-NE2 3.56Å
103D57.2Low63.6Low67 Ų6786.8 Ų86.836%0.35844%0.438SS..  trans-36.6116.4153.5173.514.2000111.3D101 D105 S106 K166D101-D103 PolarHBondContact O-N 3.25Å; D103-D105 PolarHBondContact O-N 3.17Å; D103-S106 WeakPolarHBondContact O-CB 3.32Å; D103-S106 PolarHBondContact O-N 2.83Å; D103-S106 PolarHBondContact O-OG 2.9Å; D103-S106 VanDerWaalsContact O-OG 3.09Å; D103-K166 WeakPolarHBondContact OD2-CE 3.35Å; D103-K166 IonicContact OD2-NZ 2.89Å; D103-K166 PolarHBondContact OD2-NZ 3.21Å
104P63Low66.4Low126 Ų12684.2 Ų84.282%0.81842%0.419SS*.THydrogen-bonded Turntrans-64-12.7-164.624.6-35.6000115S106P104-S106 VanDerWaalsContact C-N 3.33Å
105D70.4Confident69Low93 Ų9376.7 Ų76.750%0.49739%0.394SS..THydrogen-bonded Turntrans-84.10.5174.4-95.52000113.8D103 K238D103-D105 PolarHBondContact O-N 3.17Å; D105-K238 IonicContact OD1-NZ 3.96Å; D105-K238 PolarHBondContact OD1-NZ 2.99Å; D105-K238 IonicContact OD2-NZ 3.45Å; D105-K238 PolarHBondContact OD2-NZ 3.35Å
106S83.2Confident71.3Confident17 Ų1774.4 Ų74.412%0.11938%0.381CS..  trans-98.3133.2-178-46.50000112D103 P104 K166D103-S106 WeakPolarHBondContact O-CB 3.32Å; D103-S106 PolarHBondContact O-N 2.83Å; D103-S106 PolarHBondContact O-OG 2.9Å; D103-S106 VanDerWaalsContact O-OG 3.09Å; P104-S106 VanDerWaalsContact C-N 3.33Å; S106-K166 WeakPolarHBondContact OG-CD 3.49Å; S106-K166 WeakPolarHBondContact OG-CE 3.1Å; S106-K166 PolarHBondContact OG-NZ 2.82Å; S106-K166 VanDerWaalsContact OG-NZ 3.1Å
107K88.8Confident73.6Confident74 Ų7469.6 Ų69.632%0.32236%0.36SS..EExtended strand (participates in β ladder)trans-123.5123.1178.3-64.3176.9-176.8178.20111.5F109 L165 A231 E234K107-F109 HydrophobicContact CB-CE2 3.78Å; K107-F109 HydrophobicContact CB-CZ 4.07Å; K107-L165 HydrophobicContact CB-CB 4.38Å; K107-L165 PolarHBondContact N-O 2.94Å; K107-L165 PolarHBondContact O-N 3.21Å; K107-A231 HydrophobicContact CD-CB 3.62Å; K107-E234 IonicContact NZ-OE2 3.19Å; K107-E234 PolarHBondContact NZ-OE2 2.92Å
108C91.7Very high76.2Confident51 Ų5168 Ų6835%0.34535%0.352SS..EExtended strand (participates in β ladder)trans-113.8137.7-173.6-58.10000111.6M162 L163C108-M162 HydrophobicContact CB-CE 4.31Å; C108-L163 CarbonylContact C-O 3.59Å
109F93.4Very high78.2Confident26 Ų2662.8 Ų62.811%0.11433%0.333CS..EExtended strand (participates in β ladder)trans-138.1124.5-177.1-54.7-88.5000111.1K107 V111 L163 L165 A227 I228 A231K107-F109 HydrophobicContact CB-CE2 3.78Å; K107-F109 HydrophobicContact CB-CZ 4.07Å; F109-V111 HydrophobicContact CB-CG1 4.29Å; F109-V111 PolarHBondContact O-N 2.87Å; F109-L163 HydrophobicContact CB-CB 4.48Å; F109-L163 HydrophobicContact CD2-CD2 4.06Å; F109-L163 PolarHBondContact N-O 3.26Å; F109-L163 PolarHBondContact O-N 3.36Å; F109-L165 HydrophobicContact CE2-CD1 3.91Å; F109-L165 HydrophobicContact CE2-CG 4.27Å; F109-A227 HydrophobicContact CE1-CB 3.94Å; F109-I228 HydrophobicContact CB-CD1 3.83Å; F109-I228 HydrophobicContact CB-CG1 4.19Å; F109-I228 HydrophobicContact CD1-CD1 4.21Å; F109-I228 HydrophobicContact CD1-CG1 3.64Å; F109-I228 HydrophobicContact CD2-CD1 4.29Å; F109-I228 HydrophobicContact CD2-CG1 3.92Å; F109-I228 HydrophobicContact CE1-CG1 3.89Å; F109-I228 HydrophobicContact CE2-CG1 4.18Å; F109-I228 HydrophobicContact CG-CD1 3.86Å; F109-I228 HydrophobicContact CG-CG1 3.64Å; F109-I228 HydrophobicContact CZ-CG1 4.15Å; F109-A231 HydrophobicContact CE2-CB 4.43Å; F109-A231 HydrophobicContact CZ-CB 4.16Å
110A93.5Very high79.9Confident14 Ų1461.6 Ų61.612%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-72.3123.5168.900000110.2W91 M162 N222W91-A110 HydrophobicContact CZ2-CB 4.17Å; A110-M162 HydrophobicContact CB-SD 3.95Å; A110-N222 HydrophobicContact CB-CB 4.29Å; A110-N222 PolarHBondContact O-N 3.26Å; A110-N222 VanDerWaalsContact O-N 3.11Å
111V94Very high81.7Confident4 Ų459.6 Ų59.62%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-137.5158.1-176.9-580000111.8F109 M161 L163 F219 R220 C221 I228F109-V111 HydrophobicContact CB-CG1 4.29Å; F109-V111 PolarHBondContact O-N 2.87Å; V111-M161 HydrophobicContact CG2-CB 4.14Å; V111-M161 PolarHBondContact N-O 3.46Å; V111-M161 PolarHBondContact O-N 2.88Å; V111-L163 HydrophobicContact CG1-CB 4.08Å; V111-L163 HydrophobicContact CG1-CD1 4.46Å; V111-L163 HydrophobicContact CG2-CB 3.85Å; V111-F219 HydrophobicContact CB-CB 4.17Å; V111-F219 HydrophobicContact CG2-CB 4.47Å; V111-F219 HydrophobicContact CG2-CD1 3.95Å; V111-F219 HydrophobicContact CG2-CG 4.49Å; V111-R220 CarbonylContact C-O 3.5Å; V111-R220 WeakPolarHBondContact CA-O 3.25Å; V111-C221 HydrophobicContact CG1-CB 4.34Å; V111-I228 HydrophobicContact CG1-CD1 3.98Å
112R91.9Very high83.2Confident110 Ų11058.1 Ų58.142%0.41529%0.294SS..EExtended strand (participates in β ladder)trans-119.5126171.4-169.2-178.8-65.2172.3-1.5109.8L114 G158 R159 E160 F219 R220R112-L114 PolarHBondContact O-N 3.13Å; R112-G158 WeakPolarHBondContact CG-O 3.36Å; R112-R159 CarbonylContact C-O 3.45Å; R112-R159 WeakPolarHBondContact CA-O 3.44Å; R112-E160 HydrophobicContact CB-CG 4.41Å; R112-E160 HydrophobicContact CG-CG 4.09Å; R112-E160 IonicContact CZ-OE1 3.88Å; R112-E160 IonicContact NE-OE1 2.62Å; R112-E160 PolarHBondContact NE-OE1 3.36Å; R112-E160 IonicContact NH2-OE1 2.81Å; R112-E160 PolarHBondContact NH2-OE1 3.06Å; R112-F219 CarbonylContact O-C 3.51Å; R112-F219 WeakPolarHBondContact O-CA 3.46Å; R112-R220 PolarHBondContact N-O 3.29Å; R112-R220 PolarHBondContact O-N 3.26Å
113S92.1Very high84.5Confident6 Ų657.6 Ų57.64%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-59.7128.3174.4178.10000110.1G115 W155 G158 R159S113-G115 PolarHBondContact OG-N 2.89Å; S113-W155 PolarHBondContact OG-O 2.73Å; S113-W155 VanDerWaalsContact OG-O 3.06Å; S113-G158 WeakPolarHBondContact O-CA 3.48Å; S113-G158 PolarHBondContact O-N 2.73Å; S113-R159 PolarHBondContact N-O 2.59Å
114L89.1Confident85.4Confident15 Ų1555.1 Ų55.18%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-101.814.4166.1-56.5-172.8000111.2R112 L140 V218 R220R112-L114 PolarHBondContact O-N 3.13Å; L114-L140 HydrophobicContact CB-CB 4.24Å; L114-V218 HydrophobicContact CB-CB 4.26Å; L114-V218 HydrophobicContact CB-CG1 4.24Å; L114-V218 HydrophobicContact CD1-CG1 3.99Å; L114-V218 HydrophobicContact CG-CG1 4.47Å; L114-V218 PolarHBondContact N-O 2.96Å; L114-R220 HydrophobicContact CD1-CB 4.21Å; L114-R220 HydrophobicContact CD2-CB 4.11Å; L114-R220 HydrophobicContact CG-CB 4.18Å
115G89.4Confident85.8Confident13 Ų1351.2 Ų51.213%0.13426%0.256CS..EExtended strand (participates in β ladder)trans82.4-156.9-175.200000113.6S113 V218S113-G115 PolarHBondContact OG-N 2.89Å; G115-V218 PolarHBondContact O-N 2.89Å
116W90.6Very high85.6Confident72 Ų7253.1 Ų53.127%0.27327%0.274SS..EExtended strand (participates in β ladder)trans-149.2156.5-176.860.9-88.4000111.4G153 K215 C216W116-G153 PolarHBondContact NE1-O 3.2Å; W116-K215 HydrophobicContact CD2-CB 4.45Å; W116-K215 HydrophobicContact CD2-CD 3.93Å; W116-K215 HydrophobicContact CD2-CG 4.21Å; W116-K215 HydrophobicContact CE3-CB 4.02Å; W116-K215 HydrophobicContact CE3-CD 3.77Å; W116-K215 HydrophobicContact CE3-CG 3.62Å; W116-K215 HydrophobicContact CH2-CD 4.27Å; W116-K215 HydrophobicContact CZ2-CD 4.4Å; W116-K215 HydrophobicContact CZ3-CD 3.95Å; W116-K215 HydrophobicContact CZ3-CG 3.85Å; W116-C216 CarbonylContact C-O 3.58Å; W116-C216 WeakPolarHBondContact CA-O 3.31Å; W116-C216 WeakPolarHBondContact CB-O 3.22Å
117L89.4Confident84.9Confident49 Ų4955.7 Ų55.726%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-125.7148.1168.3-68.2178.2000110V136 Q139 L140 C216L117-V136 HydrophobicContact CB-CG1 4.01Å; L117-V136 HydrophobicContact CB-CG2 4.23Å; L117-V136 HydrophobicContact CD1-CB 4.49Å; L117-V136 HydrophobicContact CD1-CG1 4.07Å; L117-V136 HydrophobicContact CD1-CG2 4.27Å; L117-V136 HydrophobicContact CG-CG1 4.25Å; L117-Q139 HydrophobicContact CD1-CB 4Å; L117-L140 HydrophobicContact CD1-CD2 4.4Å; L117-L140 HydrophobicContact CD1-CG 4.22Å; L117-L140 HydrophobicContact CD2-CD2 4.37Å; L117-L140 HydrophobicContact CG-CD1 4.13Å; L117-L140 HydrophobicContact CG-CD2 4.11Å; L117-L140 HydrophobicContact CG-CG 4.14Å; L117-C216 PolarHBondContact N-O 2.91Å; L117-C216 PolarHBondContact O-N 2.91Å
118Q89.4Confident84.2Confident105 Ų10558.2 Ų58.249%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-67.1140.7167.4177.3173.3-25.900109.4E120 V213 L214Q118-E120 PolarHBondContact NE2-OE1 3.02Å; Q118-V213 HydrophobicContact CG-CB 4.39Å; Q118-L214 WeakPolarHBondContact CA-O 3.49Å
119V86.7Confident83.7Confident12 Ų1256.9 Ų56.97%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-129.2142.7173.5-174.60000107.9D123 L124 A132 V136 L214 C216V119-D123 HydrophobicContact CG1-CB 4.04Å; V119-L124 HydrophobicContact CG1-CD2 3.75Å; V119-L124 HydrophobicContact CG1-CG 4.21Å; V119-A132 HydrophobicContact CG1-CB 4.38Å; V119-V136 HydrophobicContact CG2-CG2 3.94Å; V119-L214 PolarHBondContact N-O 2.83Å; V119-L214 WeakPolarHBondContact O-CB 3.43Å; V119-C216 HydrophobicContact CG2-CB 3.56Å
120E83.6Confident83.2Confident99 Ų9959.7 Ų59.746%0.46333%0.325SS..  trans-86.4151.7176.5-53-57.6129.300110.5Q118 E122 D123Q118-E120 PolarHBondContact NE2-OE1 3.02Å; E120-E122 VanDerWaalsContact C-N 3.27Å; E120-E122 VanDerWaalsContact CB-OE2 3.29Å; E120-E122 WeakPolarHBondContact CB-OE2 3.47Å; E120-E122 PolarHBondContact O-N 3.08Å; E120-D123 PolarHBondContact O-N 3.22Å
121E78.1Confident82.6Confident84 Ų8464 Ų6439%0.39335%0.345SS..G310 helixtrans-64.7-31.8-174.1-177.770.7-145.200111.8D123 L124 R190 L214E121-D123 PolarHBondContact O-N 3.06Å; E121-L124 WeakPolarHBondContact O-CB 3.38Å; E121-L124 PolarHBondContact O-N 2.82Å; E121-R190 IonicContact OE1-CZ 3.8Å; E121-R190 IonicContact OE1-NE 3.13Å; E121-R190 IonicContact OE1-NH2 2.58Å; E121-R190 PolarHBondContact OE1-NH2 2.88Å; E121-R190 IonicContact OE2-CZ 3.17Å; E121-R190 IonicContact OE2-NE 2.82Å; E121-R190 PolarHBondContact OE2-NE 2.88Å; E121-R190 IonicContact OE2-NH2 3.44Å; E121-R190 PolarHBondContact OE2-NH2 3.09Å; E121-L214 HydrophobicContact CB-CD1 3.84Å; E121-L214 WeakPolarHBondContact OE2-CD1 3.44Å
122E77.1Confident82.1Confident109 Ų10964.3 Ų64.351%0.50935%0.348SS..G310 helixtrans-62.3-30177.5-56.483.8170.500112.5E120 L124 S125E120-E122 VanDerWaalsContact C-N 3.27Å; E120-E122 VanDerWaalsContact CB-OE2 3.29Å; E120-E122 WeakPolarHBondContact CB-OE2 3.47Å; E120-E122 PolarHBondContact O-N 3.08Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-S125 WeakPolarHBondContact O-CB 3.22Å; E122-S125 PolarHBondContact O-OG 3.29Å
123D80.8Confident81.9Confident64 Ų6459.2 Ų59.234%0.34233%0.329SS..G310 helixtrans-79.2-17.4175.8-89.4-24.5000112.9V119 E120 E121 S125 R128 S129 A132V119-D123 HydrophobicContact CG1-CB 4.04Å; E120-D123 PolarHBondContact O-N 3.22Å; E121-D123 PolarHBondContact O-N 3.06Å; D123-S125 VanDerWaalsContact C-N 3.31Å; D123-R128 CarbonylContact O-C 3.5Å; D123-R128 VanDerWaalsContact O-C 3.25Å; D123-R128 IonicContact OD1-CZ 3.99Å; D123-R128 IonicContact OD1-NE 3.56Å; D123-R128 PolarHBondContact OD1-NE 2.81Å; D123-R128 IonicContact OD1-NH2 2.7Å; D123-R128 PolarHBondContact OD1-NH2 2.92Å; D123-S129 WeakPolarHBondContact O-CA 3.32Å; D123-S129 PolarHBondContact O-N 3.35Å; D123-S129 VanDerWaalsContact O-N 3.1Å; D123-A132 HydrophobicContact CB-CB 3.95Å
124L77.4Confident81.6Confident15 Ų1560.4 Ų60.48%0.07934%0.337CS..G310 helixtrans-86-0.9173.3-56.2-173.5000113.5V119 E121 E122 S129 R190 V191 V205 L214V119-L124 HydrophobicContact CG1-CD2 3.75Å; V119-L124 HydrophobicContact CG1-CG 4.21Å; E121-L124 WeakPolarHBondContact O-CB 3.38Å; E121-L124 PolarHBondContact O-N 2.82Å; E122-L124 VanDerWaalsContact C-N 3.35Å; L124-S129 WeakPolarHBondContact O-CB 3.47Å; L124-R190 HydrophobicContact CD1-CB 4.14Å; L124-R190 HydrophobicContact CD1-CG 4.48Å; L124-V191 HydrophobicContact CB-CG2 4.38Å; L124-V191 HydrophobicContact CD2-CG2 4.16Å; L124-V205 HydrophobicContact CD1-CB 4.48Å; L124-V205 HydrophobicContact CD1-CG1 3.74Å; L124-V205 HydrophobicContact CD2-CB 4.48Å; L124-V205 HydrophobicContact CD2-CG1 4.16Å; L124-V205 HydrophobicContact CD2-CG2 4.15Å; L124-L214 HydrophobicContact CD1-CD1 3.82Å; L124-L214 HydrophobicContact CD1-CD2 4.46Å
125S70.4Confident81.6Confident43 Ų4362.7 Ų62.730%0.30135%0.35SS..SBendtrans-59.8150.717759.20000113.1E122 D123 G127 R128 S129E122-S125 WeakPolarHBondContact O-CB 3.22Å; E122-S125 PolarHBondContact O-OG 3.29Å; D123-S125 VanDerWaalsContact C-N 3.31Å; S125-G127 PolarHBondContact O-N 2.8Å; S125-R128 PolarHBondContact O-N 2.95Å; S125-R128 WeakPolarHBondContact OG-CD 3.48Å; S125-S129 PolarHBondContact O-N 2.76Å; S125-S129 VanDerWaalsContact O-N 3.09Å
126P66.4Low81.6Confident133 Ų13362.5 Ų62.586%0.86435%0.346SS*.THydrogen-bonded Turntrans-56.2123.1-178.4-26.935.6000112.7
127G69.3Low81.5Confident71 Ų7159.3 Ų59.373%0.73233%0.334SS*.THydrogen-bonded Turntrans92.6-14.1-176.500000115.1S125S125-G127 PolarHBondContact O-N 2.8Å
128R73.9Confident81.4Confident128 Ų12860.5 Ų60.548%0.48334%0.339SS..THydrogen-bonded Turntrans-103.2-34171.1-71.1177.260.9177.8-0.4112.8D123 S125 S130 L131 A132D123-R128 CarbonylContact O-C 3.5Å; D123-R128 VanDerWaalsContact O-C 3.25Å; D123-R128 IonicContact OD1-CZ 3.99Å; D123-R128 IonicContact OD1-NE 3.56Å; D123-R128 PolarHBondContact OD1-NE 2.81Å; D123-R128 IonicContact OD1-NH2 2.7Å; D123-R128 PolarHBondContact OD1-NH2 2.92Å; S125-R128 PolarHBondContact O-N 2.95Å; S125-R128 WeakPolarHBondContact OG-CD 3.48Å; R128-S130 VanDerWaalsContact C-N 3.31Å; R128-S130 PolarHBondContact O-N 2.88Å; R128-L131 WeakPolarHBondContact O-CA 3.44Å; R128-L131 WeakPolarHBondContact O-CB 3.4Å; R128-L131 PolarHBondContact O-N 3.42Å; R128-A132 PolarHBondContact O-N 3.47Å
129S81.9Confident81.2Confident23 Ų2361 Ų6116%0.16134%0.341CS..Hα-helixtrans-53.8-38.1-175.956.50000115.7D123 L124 S125 A132 V133D123-S129 WeakPolarHBondContact O-CA 3.32Å; D123-S129 PolarHBondContact O-N 3.35Å; D123-S129 VanDerWaalsContact O-N 3.1Å; L124-S129 WeakPolarHBondContact O-CB 3.47Å; S125-S129 PolarHBondContact O-N 2.76Å; S125-S129 VanDerWaalsContact O-N 3.09Å; S129-A132 PolarHBondContact O-N 2.87Å; S129-V133 WeakPolarHBondContact O-CG2 3.35Å; S129-V133 PolarHBondContact O-N 2.94Å
130S81.6Confident81.2Confident84 Ų8461.4 Ų61.459%0.58734%0.343SS*.Hα-helixtrans-66.2-36.717755.30000112.5R128 S134R128-S130 VanDerWaalsContact C-N 3.31Å; R128-S130 PolarHBondContact O-N 2.88Å; S130-S134 WeakPolarHBondContact O-CB 3.3Å; S130-S134 PolarHBondContact O-N 3.24Å
131L80.4Confident81.1Confident105 Ų10557.9 Ų57.955%0.5533%0.329SS..Hα-helixtrans-71.8-43.8174.6-178.762.5000110.8R128 S134 N135R128-L131 WeakPolarHBondContact O-CA 3.44Å; R128-L131 WeakPolarHBondContact O-CB 3.4Å; R128-L131 PolarHBondContact O-N 3.42Å; L131-S134 PolarHBondContact O-N 2.82Å; L131-N135 WeakPolarHBondContact O-CB 3.35Å; L131-N135 PolarHBondContact O-N 2.8Å; L131-N135 PolarHBondContact O-ND2 2.76Å; L131-N135 PolarHBondContact O-OD1 2.95Å
132A84.4Confident80.8Confident10 Ų1060.4 Ų60.48%0.08334%0.34CS..Hα-helixtrans-57.5-51.7177.100000111.8V119 D123 R128 S129 N135 V136V119-A132 HydrophobicContact CG1-CB 4.38Å; D123-A132 HydrophobicContact CB-CB 3.95Å; R128-A132 PolarHBondContact O-N 3.47Å; S129-A132 PolarHBondContact O-N 2.87Å; A132-N135 PolarHBondContact O-N 3.41Å; A132-V136 WeakPolarHBondContact O-CG2 3.35Å; A132-V136 PolarHBondContact O-N 3.49Å
133V87.4Confident79.9Confident4 Ų457.5 Ų57.52%0.02433%0.331CS..Hα-helixtrans-65.2-40.6177.4175.10000111.6S129 N135 V136 I137 V191 A203 V205S129-V133 WeakPolarHBondContact O-CG2 3.35Å; S129-V133 PolarHBondContact O-N 2.94Å; V133-N135 VanDerWaalsContact C-N 3.33Å; V133-N135 PolarHBondContact O-N 3.21Å; V133-V136 PolarHBondContact O-N 2.82Å; V133-I137 HydrophobicContact CG1-CD1 3.92Å; V133-I137 HydrophobicContact CG1-CG1 4.41Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.25Å; V133-I137 PolarHBondContact O-N 2.97Å; V133-V191 HydrophobicContact CG2-CB 4.42Å; V133-V191 HydrophobicContact CG2-CG1 3.88Å; V133-A203 HydrophobicContact CG1-CB 3.85Å; V133-V205 HydrophobicContact CG2-CG2 3.71Å
134S87.1Confident78.6Confident30 Ų3057.8 Ų57.821%0.2135%0.35CS..Hα-helixtrans-61.1-40.6175.1-178.80000112.1S130 L131 I137 Q138S130-S134 WeakPolarHBondContact O-CB 3.3Å; S130-S134 PolarHBondContact O-N 3.24Å; L131-S134 PolarHBondContact O-N 2.82Å; S134-I137 PolarHBondContact O-N 2.83Å; S134-Q138 WeakPolarHBondContact O-CB 3.42Å; S134-Q138 VanDerWaalsContact O-CG 3.3Å; S134-Q138 WeakPolarHBondContact O-CG 3.46Å; S134-Q138 PolarHBondContact O-N 2.76Å
135N88.4Confident77.1Confident63 Ų6360 Ų6034%0.33737%0.367SS..Hα-helixtrans-66.3-41.7177.5-71-12.3000111.7L131 A132 V133 Q138 Q139L131-N135 WeakPolarHBondContact O-CB 3.35Å; L131-N135 PolarHBondContact O-N 2.8Å; L131-N135 PolarHBondContact O-ND2 2.76Å; L131-N135 PolarHBondContact O-OD1 2.95Å; A132-N135 PolarHBondContact O-N 3.41Å; V133-N135 VanDerWaalsContact C-N 3.33Å; V133-N135 PolarHBondContact O-N 3.21Å; N135-Q138 PolarHBondContact O-N 2.83Å; N135-Q139 WeakPolarHBondContact O-CG 3.28Å; N135-Q139 PolarHBondContact O-N 3.03Å
136V89.2Confident76Confident9 Ų962.6 Ų62.66%0.05538%0.382CS..Hα-helixtrans-65.3-44175.6171.60000111.3L117 V119 A132 V133 Q138 Q139 L140 C216 V218L117-V136 HydrophobicContact CB-CG1 4.01Å; L117-V136 HydrophobicContact CB-CG2 4.23Å; L117-V136 HydrophobicContact CD1-CB 4.49Å; L117-V136 HydrophobicContact CD1-CG1 4.07Å; L117-V136 HydrophobicContact CD1-CG2 4.27Å; L117-V136 HydrophobicContact CG-CG1 4.25Å; V119-V136 HydrophobicContact CG2-CG2 3.94Å; A132-V136 WeakPolarHBondContact O-CG2 3.35Å; A132-V136 PolarHBondContact O-N 3.49Å; V133-V136 PolarHBondContact O-N 2.82Å; V136-Q138 VanDerWaalsContact C-N 3.31Å; V136-Q138 PolarHBondContact O-N 3.03Å; V136-Q139 PolarHBondContact O-N 3.11Å; V136-L140 HydrophobicContact CG1-CD1 4.03Å; V136-L140 PolarHBondContact O-N 3.3Å; V136-C216 HydrophobicContact CB-CB 4.36Å; V136-C216 HydrophobicContact CG1-CB 3.88Å; V136-C216 VanDerWaalsContact CG1-SG 3.57Å; V136-C216 HydrophobicContact CG2-CB 4.27Å; V136-V218 HydrophobicContact CG1-CG2 3.72Å
137I87.6Confident75Confident5 Ų565 Ų653%0.02638%0.382CS..Hα-helixtrans-57.4-45.7172.9-68.7168000110.2V133 S134 S141 D201 A203 V218V133-I137 HydrophobicContact CG1-CD1 3.92Å; V133-I137 HydrophobicContact CG1-CG1 4.41Å; V133-I137 VanDerWaalsContact O-CG1 3.3Å; V133-I137 WeakPolarHBondContact O-CG1 3.25Å; V133-I137 PolarHBondContact O-N 2.97Å; S134-I137 PolarHBondContact O-N 2.83Å; I137-S141 WeakPolarHBondContact O-CB 3.48Å; I137-S141 PolarHBondContact O-N 3.06Å; I137-S141 PolarHBondContact O-OG 2.89Å; I137-D201 HydrophobicContact CG2-CB 3.76Å; I137-A203 HydrophobicContact CD1-CB 3.76Å; I137-A203 HydrophobicContact CG1-CB 3.66Å; I137-V218 HydrophobicContact CG1-CG1 4.15Å; I137-V218 HydrophobicContact CG1-CG2 4.2Å
138Q87.4Confident73.9Confident75 Ų7566.9 Ų66.935%0.3537%0.372SS..Hα-helixtrans-63.3-43.3178.5-75178.11300112.4S134 N135 V136 S141 H142S134-Q138 WeakPolarHBondContact O-CB 3.42Å; S134-Q138 VanDerWaalsContact O-CG 3.3Å; S134-Q138 WeakPolarHBondContact O-CG 3.46Å; S134-Q138 PolarHBondContact O-N 2.76Å; N135-Q138 PolarHBondContact O-N 2.83Å; V136-Q138 VanDerWaalsContact C-N 3.31Å; V136-Q138 PolarHBondContact O-N 3.03Å; Q138-S141 WeakPolarHBondContact CA-OG 3.37Å; Q138-S141 PolarHBondContact O-OG 2.86Å; Q138-H142 PolarHBondContact O-N 3.32Å; Q138-H142 PolarHBondContact O-ND1 2.93Å
139Q86.9Confident72.8Confident115 Ų11569.4 Ų69.454%0.53738%0.381SS..Hα-helixtrans-60.8-53177.2-73.1174.752.200111.6L117 N135 V136 S141 H142 C143L117-Q139 HydrophobicContact CD1-CB 4Å; N135-Q139 WeakPolarHBondContact O-CG 3.28Å; N135-Q139 PolarHBondContact O-N 3.03Å; V136-Q139 PolarHBondContact O-N 3.11Å; Q139-S141 PolarHBondContact O-N 2.89Å; Q139-H142 PolarHBondContact O-N 2.99Å; Q139-C143 WeakPolarHBondContact O-CB 3.44Å; Q139-C143 PolarHBondContact O-N 3.02Å
140L85.8Confident71Confident21 Ų2176 Ų7611%0.1141%0.414CS..Hα-helixtrans-76.3-19.3-176.6-64.4178.6000114.1L114 L117 V136 V218L114-L140 HydrophobicContact CB-CB 4.24Å; L117-L140 HydrophobicContact CD1-CD2 4.4Å; L117-L140 HydrophobicContact CD1-CG 4.22Å; L117-L140 HydrophobicContact CD2-CD2 4.37Å; L117-L140 HydrophobicContact CG-CD1 4.13Å; L117-L140 HydrophobicContact CG-CD2 4.11Å; L117-L140 HydrophobicContact CG-CG 4.14Å; V136-L140 HydrophobicContact CG1-CD1 4.03Å; V136-L140 PolarHBondContact O-N 3.3Å; L140-V218 HydrophobicContact CB-CB 4.43Å; L140-V218 HydrophobicContact CB-CG2 4.47Å; L140-V218 HydrophobicContact CD1-CB 3.97Å; L140-V218 HydrophobicContact CD1-CG2 3.69Å
141S82.3Confident69.3Low24 Ų2482.3 Ų82.317%0.16843%0.426CS..Hα-helixtrans-80.1-23.8175.556.40000114.1I137 Q138 Q139 D201 R220I137-S141 WeakPolarHBondContact O-CB 3.48Å; I137-S141 PolarHBondContact O-N 3.06Å; I137-S141 PolarHBondContact O-OG 2.89Å; Q138-S141 WeakPolarHBondContact CA-OG 3.37Å; Q138-S141 PolarHBondContact O-OG 2.86Å; Q139-S141 PolarHBondContact O-N 2.89Å; S141-D201 VanDerWaalsContact CB-OD2 3.3Å; S141-D201 WeakPolarHBondContact CB-OD2 3.42Å; S141-R220 PolarHBondContact O-NH2 3.1Å
142H71.8Confident67.7Low138 Ų13882.2 Ų82.264%0.63943%0.434SS*.Hα-helixtrans-108.1-15.9-178.7-59.579.2000113.6Q138 Q139 G144Q138-H142 PolarHBondContact O-N 3.32Å; Q138-H142 PolarHBondContact O-ND1 2.93Å; Q139-H142 PolarHBondContact O-N 2.99Å; H142-G144 PolarHBondContact O-N 3.02Å
143C57.5Low65.9Low47 Ų4783 Ų8332%0.31844%0.442SS..  trans-72.3114.2172.4-136.80000109.8Q139Q139-C143 WeakPolarHBondContact O-CB 3.44Å; Q139-C143 PolarHBondContact O-N 3.02Å
144G53.9Low64.1Low71 Ų7186.8 Ų86.873%0.73247%0.474SS*.  trans-131.615.2174.700000112.7H142H142-G144 PolarHBondContact O-N 3.02Å
145S45.3Very low62.6Low62 Ų6289.2 Ų89.243%0.43448%0.479SS..  trans-82.3124.9-177.645.70000110.9E147S145-E147 PolarHBondContact O-N 3.39Å
146P47Very low61.1Low96 Ų9687.7 Ų87.762%0.62348%0.478SS*.G310 helixtrans-68.1-8.6-173.526.6-35.1000114.8
147E45.1Very low59.8Low183 Ų18392.2 Ų92.286%0.85550%0.499SS*.G310 helixtrans-78.9-13.9-175.4-62.2-178.4148.200113.8S145S145-E147 PolarHBondContact O-N 3.39Å
148Q48.2Very low58.9Low112 Ų11294 Ų9452%0.52352%0.518SS..G310 helixtrans-97.15.9-177.5-158.3158.32.500114.5D150Q148-D150 PolarHBondContact O-N 2.85Å; Q148-D150 VanDerWaalsContact O-N 3.11Å
149R49.9Very low58.6Low181 Ų18195.8 Ų95.868%0.68352%0.522SS*.THydrogen-bonded Turntrans-60.6-19.9178.7-73.9-175.7175.9-173.70.5115.1R151 S152R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 2.72Å; R149-S152 PolarHBondContact O-OG 3.09Å
150D43Very low58.6Low161 Ų16193.3 Ų93.386%0.86151%0.51SS*.THydrogen-bonded Turntrans-80.5-0-170.9-139.825.6000114Q148 S152Q148-D150 PolarHBondContact O-N 2.85Å; Q148-D150 VanDerWaalsContact O-N 3.11Å; D150-S152 VanDerWaalsContact C-N 3.34Å
151R46.7Very low58.9Low217 Ų21792.4 Ų92.482%0.81951%0.505SS*.SBendtrans-98.241.3169.8-68.1-168.3176.6-159.8-0.3112.4R149 G153R149-R151 VanDerWaalsContact C-N 3.26Å; R149-R151 PolarHBondContact O-N 2.72Å; R151-G153 PolarHBondContact O-N 3.28Å
152S46.6Very low59.3Low103 Ų10393.5 Ų93.572%0.7251%0.508SS*.  trans-70.498.9-175.3-800000113.3R149 D150R149-S152 PolarHBondContact O-OG 3.09Å; D150-S152 VanDerWaalsContact C-N 3.34Å
153G46.6Very low60.4Low26 Ų2686.9 Ų86.927%0.26848%0.478SS..  trans-88.3106.216000000111.4W116 R151 W155W116-G153 PolarHBondContact NE1-O 3.2Å; R151-G153 PolarHBondContact O-N 3.28Å; G153-W155 VanDerWaalsContact C-N 3.27Å; G153-W155 PolarHBondContact O-N 3.27Å
154A49.4Very low62.1Low84 Ų8485.5 Ų85.569%0.69447%0.468SS*.SBendtrans48.6-44.4166.200000121
155W56.3Low63.9Low80 Ų8082.1 Ų82.130%0.30343%0.433SS..SBendtrans-120.843.9-161.4-61.6117.4000114.8S113 G153 M161 L181S113-W155 PolarHBondContact OG-O 2.73Å; S113-W155 VanDerWaalsContact OG-O 3.06Å; G153-W155 VanDerWaalsContact C-N 3.27Å; G153-W155 PolarHBondContact O-N 3.27Å; W155-M161 HydrophobicContact CB-CE 4.27Å; W155-M161 HydrophobicContact CE3-CE 4.35Å; W155-L181 HydrophobicContact CE3-CB 4.08Å; W155-L181 HydrophobicContact CH2-CB 3.8Å; W155-L181 HydrophobicContact CH2-CD2 4.46Å; W155-L181 WeakPolarHBondContact CH2-O 3.3Å; W155-L181 WeakPolarHBondContact CZ2-O 3.12Å; W155-L181 HydrophobicContact CZ3-CB 3.54Å; W155-L181 HydrophobicContact CZ3-CD1 4.33Å; W155-L181 HydrophobicContact CZ3-CD2 3.97Å; W155-L181 HydrophobicContact CZ3-CG 4.14Å
156G56.1Low65.9Low32 Ų3282.3 Ų82.333%0.3343%0.426SS..  trans27.499.516300000117.3G158 R159G156-G158 PolarHBondContact O-N 3.05Å; G156-R159 VanDerWaalsContact O-CB 3.25Å; G156-R159 WeakPolarHBondContact O-CB 3.24Å; G156-R159 PolarHBondContact O-N 2.84Å
157E63.1Low67.5Low104 Ų10485 Ų8549%0.48643%0.428SS..THydrogen-bonded Turntrans-48.3126.5165.4-175-174.4-177.100110.6
158G69Low69.4Low41 Ų4180.3 Ų80.342%0.42341%0.409SS..THydrogen-bonded Turntrans89.5-7.2-176.500000116.1R112 S113 G156R112-G158 WeakPolarHBondContact CG-O 3.36Å; S113-G158 WeakPolarHBondContact O-CA 3.48Å; S113-G158 PolarHBondContact O-N 2.73Å; G156-G158 PolarHBondContact O-N 3.05Å
159R80.1Confident71.3Confident113 Ų11376.5 Ų76.543%0.42639%0.393SS..  trans-69.7134.5176.8179.5-177.9-87.6-127.57.6111.4R112 S113 G156 M161 D174R112-R159 CarbonylContact C-O 3.45Å; R112-R159 WeakPolarHBondContact CA-O 3.44Å; S113-R159 PolarHBondContact N-O 2.59Å; G156-R159 VanDerWaalsContact O-CB 3.25Å; G156-R159 WeakPolarHBondContact O-CB 3.24Å; G156-R159 PolarHBondContact O-N 2.84Å; R159-M161 HydrophobicContact CB-CE 4.15Å; R159-M161 VanDerWaalsContact CD-CE 3.49Å; R159-M161 HydrophobicContact CG-CE 3.93Å; R159-M161 HydrophobicContact CG-CG 4.26Å; R159-D174 IonicContact NH1-OD2 2.68Å; R159-D174 PolarHBondContact NH1-OD2 2.93Å
160E87.4Confident73.4Confident64 Ų6467.9 Ų67.930%0.29936%0.36SS..EExtended strand (participates in β ladder)trans-83.9142.5172.1-60.4-171.3143.300111W91 R112 P175W91-E160 HydrophobicContact CH2-CB 4.34Å; W91-E160 WeakPolarHBondContact CH2-OE2 3.25Å; W91-E160 VanDerWaalsContact CZ3-OE2 3.32Å; W91-E160 WeakPolarHBondContact CZ3-OE2 3.22Å; R112-E160 HydrophobicContact CB-CG 4.41Å; R112-E160 HydrophobicContact CG-CG 4.09Å; R112-E160 IonicContact CZ-OE1 3.88Å; R112-E160 IonicContact NE-OE1 2.62Å; R112-E160 PolarHBondContact NE-OE1 3.36Å; R112-E160 IonicContact NH2-OE1 2.81Å; R112-E160 PolarHBondContact NH2-OE1 3.06Å; E160-P175 WeakPolarHBondContact O-CD 3.48Å
161M92.3Very high75.8Confident2 Ų261.2 Ų61.21%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-150.2156.8-170-62.4180177.800110.7V111 W155 R159 L172 L181V111-M161 HydrophobicContact CG2-CB 4.14Å; V111-M161 PolarHBondContact N-O 3.46Å; V111-M161 PolarHBondContact O-N 2.88Å; W155-M161 HydrophobicContact CB-CE 4.27Å; W155-M161 HydrophobicContact CE3-CE 4.35Å; R159-M161 HydrophobicContact CB-CE 4.15Å; R159-M161 VanDerWaalsContact CD-CE 3.49Å; R159-M161 HydrophobicContact CG-CE 3.93Å; R159-M161 HydrophobicContact CG-CG 4.26Å; M161-L172 HydrophobicContact SD-CB 4.22Å; M161-L172 HydrophobicContact SD-CD1 3.91Å; M161-L172 HydrophobicContact SD-CG 4.46Å; M161-L181 HydrophobicContact CE-CD1 4.07Å; M161-L181 HydrophobicContact CG-CD1 4.12Å; M161-L181 HydrophobicContact SD-CD1 4.33Å
162M90.6Very high77.9Confident46 Ų4651.2 Ų51.223%0.22729%0.288CS..EExtended strand (participates in β ladder)trans-101.9111.6168.6-70.5-63.8-73.500109.5C108 A110 L172 L173 P175C108-M162 HydrophobicContact CB-CE 4.31Å; A110-M162 HydrophobicContact CB-SD 3.95Å; M162-L172 WeakPolarHBondContact O-CA 3.46Å; M162-L173 HydrophobicContact CB-CB 4.25Å; M162-L173 PolarHBondContact N-O 3.41Å; M162-L173 PolarHBondContact O-N 2.93Å; M162-P175 HydrophobicContact CG-CB 4.24Å
163L94.6Very high80Confident0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-85.7113.6173.2-172.6160.7000108.6C108 F109 V111 L165 L170 L172 F202 I228C108-L163 CarbonylContact C-O 3.59Å; F109-L163 HydrophobicContact CB-CB 4.48Å; F109-L163 HydrophobicContact CD2-CD2 4.06Å; F109-L163 PolarHBondContact N-O 3.26Å; F109-L163 PolarHBondContact O-N 3.36Å; V111-L163 HydrophobicContact CG1-CB 4.08Å; V111-L163 HydrophobicContact CG1-CD1 4.46Å; V111-L163 HydrophobicContact CG2-CB 3.85Å; L163-L165 HydrophobicContact CD2-CD1 4.5Å; L163-L165 HydrophobicContact CD2-CD2 3.84Å; L163-L165 HydrophobicContact CD2-CG 3.75Å; L163-L170 HydrophobicContact CD1-CD1 4.33Å; L163-L170 HydrophobicContact CD1-CD2 4.32Å; L163-L170 HydrophobicContact CD1-CG 4.45Å; L163-L170 HydrophobicContact CD2-CD1 4.46Å; L163-L170 HydrophobicContact CD2-CG 4.15Å; L163-L170 HydrophobicContact CG-CD2 4.11Å; L163-L170 HydrophobicContact CG-CG 4.18Å; L163-L172 HydrophobicContact CB-CD2 3.87Å; L163-L172 HydrophobicContact CD1-CD2 4.09Å; L163-L172 HydrophobicContact CG-CD2 3.9Å; L163-F202 HydrophobicContact CD1-CD1 4.41Å; L163-F202 HydrophobicContact CD1-CE1 4.37Å; L163-I228 HydrophobicContact CD1-CD1 4.39Å; L163-I228 HydrophobicContact CD1-CG2 4.48Å; L163-I228 HydrophobicContact CD2-CG2 4.13Å
164V92.6Very high81.9Confident18 Ų1847.7 Ų47.711%0.10926%0.255CS..EExtended strand (participates in β ladder)trans-110.2121.6180-177.60000109.3K166 T171 L173V164-K166 HydrophobicContact CG1-CB 4.34Å; V164-T171 PolarHBondContact N-O 3.24Å; V164-T171 PolarHBondContact O-N 3.39Å; V164-L173 HydrophobicContact CG2-CD1 3.73Å; V164-L173 HydrophobicContact CG2-CG 4.11Å
165L92.2Very high83.5Confident0 Ų045.4 Ų45.40%023%0.233CC..EExtended strand (participates in β ladder)trans-99.5115.4171.4-67.1-175.6000108.6K107 F109 L163 L170 I228 A231 L232 M235K107-L165 HydrophobicContact CB-CB 4.38Å; K107-L165 PolarHBondContact N-O 2.94Å; K107-L165 PolarHBondContact O-N 3.21Å; F109-L165 HydrophobicContact CE2-CD1 3.91Å; F109-L165 HydrophobicContact CE2-CG 4.27Å; L163-L165 HydrophobicContact CD2-CD1 4.5Å; L163-L165 HydrophobicContact CD2-CD2 3.84Å; L163-L165 HydrophobicContact CD2-CG 3.75Å; L165-L170 HydrophobicContact CD2-CB 3.74Å; L165-L170 HydrophobicContact CD2-CD1 4Å; L165-L170 HydrophobicContact CD2-CG 3.7Å; L165-I228 HydrophobicContact CD1-CG2 4.23Å; L165-A231 HydrophobicContact CD1-CB 3.55Å; L165-L232 HydrophobicContact CD1-CD2 4.25Å; L165-L232 HydrophobicContact CD1-CG 3.87Å; L165-L232 HydrophobicContact CD2-CD2 3.61Å; L165-L232 HydrophobicContact CD2-CG 4.02Å; L165-M235 HydrophobicContact CB-CE 4.37Å; L165-M235 HydrophobicContact CB-SD 3.64Å; L165-M235 HydrophobicContact CD1-SD 4.33Å; L165-M235 HydrophobicContact CG-SD 4.42Å
166K86.9Confident84.7Confident65 Ų6549.1 Ų49.128%0.28326%0.258SS..EExtended strand (participates in β ladder)trans-146.6132-177.4-176.5166-173.6136.60111.6D103 S106 V164 D168 T169D103-K166 WeakPolarHBondContact OD2-CE 3.35Å; D103-K166 IonicContact OD2-NZ 2.89Å; D103-K166 PolarHBondContact OD2-NZ 3.21Å; S106-K166 WeakPolarHBondContact OG-CD 3.49Å; S106-K166 WeakPolarHBondContact OG-CE 3.1Å; S106-K166 PolarHBondContact OG-NZ 2.82Å; S106-K166 VanDerWaalsContact OG-NZ 3.1Å; V164-K166 HydrophobicContact CG1-CB 4.34Å; K166-D168 PolarHBondContact O-N 3.03Å; K166-T169 PolarHBondContact N-O 2.84Å; K166-T169 PolarHBondContact O-N 3.49Å; K166-T169 PolarHBondContact O-OG1 3.14Å; K166-T169 VanDerWaalsContact O-OG1 3.04Å
167K81.4Confident86.1Confident152 Ų15252.2 Ų52.266%0.66127%0.267SS*.THydrogen-bonded Turntrans55.1-93.5-177.9-63.1175.5178.6-178.10113M235K167-M235 VanDerWaalsContact C-CE 3.48Å; K167-M235 WeakPolarHBondContact O-CE 3.41Å
168D84.1Confident86.9Confident85 Ų8551.1 Ų51.146%0.45526%0.262SS..THydrogen-bonded Turntrans-128.69.4-175.861.9-32.9000112.7K166 I186 M239K166-D168 PolarHBondContact O-N 3.03Å; D168-I186 WeakPolarHBondContact O-CB 3.43Å; D168-I186 WeakPolarHBondContact O-CG1 3.48Å; D168-I186 PolarHBondContact O-N 3.04Å; D168-M239 HydrophobicContact CB-SD 3.68Å
169T89.3Confident87.5Confident32 Ų3252 Ų5220%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-126145.9-174.357.50000113.3K166K166-T169 PolarHBondContact N-O 2.84Å; K166-T169 PolarHBondContact O-N 3.49Å; K166-T169 PolarHBondContact O-OG1 3.14Å; K166-T169 VanDerWaalsContact O-OG1 3.04Å
170L93.9Very high87.7Confident0 Ų051.3 Ų51.30%027%0.269CS..EExtended strand (participates in β ladder)trans-104.3116.8163.9-179166.3000107.2L163 L165 L172 Q184 I186 I189 F204 L232L163-L170 HydrophobicContact CD1-CD1 4.33Å; L163-L170 HydrophobicContact CD1-CD2 4.32Å; L163-L170 HydrophobicContact CD1-CG 4.45Å; L163-L170 HydrophobicContact CD2-CD1 4.46Å; L163-L170 HydrophobicContact CD2-CG 4.15Å; L163-L170 HydrophobicContact CG-CD2 4.11Å; L163-L170 HydrophobicContact CG-CG 4.18Å; L165-L170 HydrophobicContact CD2-CB 3.74Å; L165-L170 HydrophobicContact CD2-CD1 4Å; L165-L170 HydrophobicContact CD2-CG 3.7Å; L170-L172 HydrophobicContact CD2-CD2 4.2Å; L170-L172 HydrophobicContact CD2-CG 4.31Å; L170-Q184 HydrophobicContact CB-CB 4.42Å; L170-Q184 PolarHBondContact N-O 2.89Å; L170-Q184 PolarHBondContact O-N 2.76Å; L170-I186 HydrophobicContact CB-CG1 4.37Å; L170-I189 HydrophobicContact CD1-CD1 4.15Å; L170-F204 HydrophobicContact CD1-CD1 4.09Å; L170-F204 HydrophobicContact CD1-CE1 4.09Å; L170-F204 HydrophobicContact CD2-CE1 4.19Å; L170-L232 HydrophobicContact CD1-CD1 4.34Å; L170-L232 HydrophobicContact CD1-CD2 4.45Å
171T92.1Very high87.6Confident22 Ų2249.6 Ų49.614%0.13526%0.262CS..EExtended strand (participates in β ladder)trans-116.1134.1-179.6-50.90000109.7V164 L173 P180 H182 C183V164-T171 PolarHBondContact N-O 3.24Å; V164-T171 PolarHBondContact O-N 3.39Å; T171-L173 HydrophobicContact CG2-CD2 3.57Å; T171-L173 HydrophobicContact CG2-CG 4.42Å; T171-P180 HydrophobicContact CG2-CB 4.3Å; T171-H182 CarbonylContact C-O 3.56Å; T171-H182 VanDerWaalsContact CA-O 3.3Å; T171-H182 WeakPolarHBondContact CA-O 2.93Å; T171-H182 WeakPolarHBondContact CG2-O 3.04Å; T171-C183 HydrophobicContact CG2-CB 4.49Å
172L92.1Very high87.2Confident6 Ų651.9 Ų51.93%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-97.7122.2167.7-58.6175.9000107.8M161 M162 L163 L170 L181 H182 F219M161-L172 HydrophobicContact SD-CB 4.22Å; M161-L172 HydrophobicContact SD-CD1 3.91Å; M161-L172 HydrophobicContact SD-CG 4.46Å; M162-L172 WeakPolarHBondContact O-CA 3.46Å; L163-L172 HydrophobicContact CB-CD2 3.87Å; L163-L172 HydrophobicContact CD1-CD2 4.09Å; L163-L172 HydrophobicContact CG-CD2 3.9Å; L170-L172 HydrophobicContact CD2-CD2 4.2Å; L170-L172 HydrophobicContact CD2-CG 4.31Å; L172-L181 HydrophobicContact CB-CB 4.46Å; L172-L181 WeakPolarHBondContact O-CA 3.28Å; L172-L181 WeakPolarHBondContact O-CB 3.44Å; L172-L181 PolarHBondContact O-N 3.04Å; L172-H182 HydrophobicContact CB-CB 4.23Å; L172-H182 HydrophobicContact CD1-CB 4.16Å; L172-H182 HydrophobicContact CG-CB 4.42Å; L172-H182 PolarHBondContact N-O 2.96Å; L172-H182 PolarHBondContact O-N 3.17Å; L172-F219 HydrophobicContact CD1-CE1 3.76Å; L172-F219 HydrophobicContact CD1-CZ 3.78Å; L172-F219 HydrophobicContact CD2-CE1 4.09Å; L172-F219 HydrophobicContact CD2-CZ 4.37Å
173L89.3Confident87.1Confident33 Ų3352.7 Ų52.717%0.17328%0.282CS..EExtended strand (participates in β ladder)trans-108152.5174.8-50.6-178.7000110.3M162 V164 T171 H178 T179 P180M162-L173 HydrophobicContact CB-CB 4.25Å; M162-L173 PolarHBondContact N-O 3.41Å; M162-L173 PolarHBondContact O-N 2.93Å; V164-L173 HydrophobicContact CG2-CD1 3.73Å; V164-L173 HydrophobicContact CG2-CG 4.11Å; T171-L173 HydrophobicContact CG2-CD2 3.57Å; T171-L173 HydrophobicContact CG2-CG 4.42Å; L173-H178 HydrophobicContact CD1-CB 4.38Å; L173-T179 CarbonylContact C-O 3.57Å; L173-T179 VanDerWaalsContact CA-O 3.3Å; L173-T179 WeakPolarHBondContact CA-O 3.42Å; L173-P180 HydrophobicContact CD2-CB 4.03Å
174D86.1Confident86.8Confident23 Ų2353.3 Ų53.312%0.12329%0.285CS..  trans-65.2138.6164.6-162.3-80.5000109.8R159 L176 D177 H178 T179 L181R159-D174 IonicContact NH1-OD2 2.68Å; R159-D174 PolarHBondContact NH1-OD2 2.93Å; D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.97Å; D174-L176 PolarHBondContact OD1-N 3.44Å; D174-D177 WeakPolarHBondContact CB-OD1 3.46Å; D174-H178 VanDerWaalsContact O-CA 3.29Å; D174-H178 WeakPolarHBondContact O-CA 3.44Å; D174-H178 PolarHBondContact O-N 3.41Å; D174-T179 PolarHBondContact N-O 3.25Å; D174-L181 HydrophobicContact CB-CD1 4.32Å; D174-L181 HydrophobicContact CB-CD2 4.13Å; D174-L181 HydrophobicContact CB-CG 4.32Å
175P83.5Confident86.3Confident36 Ų3654 Ų5423%0.23429%0.29CS..THydrogen-bonded Turntrans-73-17.1-177.929.7-35.4000113.8E160 M162E160-P175 WeakPolarHBondContact O-CD 3.48Å; M162-P175 HydrophobicContact CG-CB 4.24Å
176L82.3Confident86.1Confident157 Ų15754.1 Ų54.182%0.82229%0.29SS*.THydrogen-bonded Turntrans-97-42.5-174.6-61.9176.9000113.7D174D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.97Å; D174-L176 PolarHBondContact OD1-N 3.44Å
177D84.6Confident85.8Confident98 Ų9856.5 Ų56.552%0.52431%0.305SS..THydrogen-bonded Turntrans-117.92.4-175.570.310.7000114D174 T179D174-D177 WeakPolarHBondContact CB-OD1 3.46Å; D177-T179 HydrophobicContact CB-CG2 4.44Å; D177-T179 VanDerWaalsContact CG-CG2 3.45Å; D177-T179 PolarHBondContact O-N 3Å; D177-T179 VanDerWaalsContact O-N 3.1Å; D177-T179 VanDerWaalsContact OD1-CB 3.23Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.39Å; D177-T179 PolarHBondContact OD1-N 3.04Å; D177-T179 PolarHBondContact OD1-OG1 2.81Å; D177-T179 WeakPolarHBondContact OD2-CG2 3.22Å
178H80.6Confident85.9Confident81 Ų8153.5 Ų53.538%0.37530%0.296SS..  trans55.520.2-177.4-55.6-52.6000114.7L173 D174L173-H178 HydrophobicContact CD1-CB 4.38Å; D174-H178 VanDerWaalsContact O-CA 3.29Å; D174-H178 WeakPolarHBondContact O-CA 3.44Å; D174-H178 PolarHBondContact O-N 3.41Å
179T81.6Confident85.9Confident59 Ų5950.1 Ų50.136%0.36228%0.278SS..  trans-65136.3176.653.10000110.9L173 D174 D177 L181L173-T179 CarbonylContact C-O 3.57Å; L173-T179 VanDerWaalsContact CA-O 3.3Å; L173-T179 WeakPolarHBondContact CA-O 3.42Å; D174-T179 PolarHBondContact N-O 3.25Å; D177-T179 HydrophobicContact CB-CG2 4.44Å; D177-T179 VanDerWaalsContact CG-CG2 3.45Å; D177-T179 PolarHBondContact O-N 3Å; D177-T179 VanDerWaalsContact O-N 3.1Å; D177-T179 VanDerWaalsContact OD1-CB 3.23Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.39Å; D177-T179 PolarHBondContact OD1-N 3.04Å; D177-T179 PolarHBondContact OD1-OG1 2.81Å; D177-T179 WeakPolarHBondContact OD2-CG2 3.22Å; T179-L181 PolarHBondContact O-N 3.48Å; T179-L181 VanDerWaalsContact O-N 3.09Å
180P84.7Confident85.7Confident98 Ų9855.5 Ų55.564%0.63630%0.295SS*.EExtended strand (participates in β ladder)trans-71.2108.3178.628.3-33.3000110.3T171 L173T171-P180 HydrophobicContact CG2-CB 4.3Å; L173-P180 HydrophobicContact CD2-CB 4.03Å
181L85Confident85.4Confident29 Ų2956.7 Ų56.715%0.15230%0.302CS..EExtended strand (participates in β ladder)trans-75.7-51.7175.4-58-174000109.8W155 M161 L172 D174 T179W155-L181 HydrophobicContact CE3-CB 4.08Å; W155-L181 HydrophobicContact CH2-CB 3.8Å; W155-L181 HydrophobicContact CH2-CD2 4.46Å; W155-L181 WeakPolarHBondContact CH2-O 3.3Å; W155-L181 WeakPolarHBondContact CZ2-O 3.12Å; W155-L181 HydrophobicContact CZ3-CB 3.54Å; W155-L181 HydrophobicContact CZ3-CD1 4.33Å; W155-L181 HydrophobicContact CZ3-CD2 3.97Å; W155-L181 HydrophobicContact CZ3-CG 4.14Å; M161-L181 HydrophobicContact CE-CD1 4.07Å; M161-L181 HydrophobicContact CG-CD1 4.12Å; M161-L181 HydrophobicContact SD-CD1 4.33Å; L172-L181 HydrophobicContact CB-CB 4.46Å; L172-L181 WeakPolarHBondContact O-CA 3.28Å; L172-L181 WeakPolarHBondContact O-CB 3.44Å; L172-L181 PolarHBondContact O-N 3.04Å; D174-L181 HydrophobicContact CB-CD1 4.32Å; D174-L181 HydrophobicContact CB-CD2 4.13Å; D174-L181 HydrophobicContact CB-CG 4.32Å; T179-L181 PolarHBondContact O-N 3.48Å; T179-L181 VanDerWaalsContact O-N 3.09Å
182H84.6Confident85.5Confident50 Ų5059.1 Ų59.123%0.23131%0.309CS..EExtended strand (participates in β ladder)trans-144.5144.8-177.5-17873.7000111.3T171 L172T171-H182 CarbonylContact C-O 3.56Å; T171-H182 VanDerWaalsContact CA-O 3.3Å; T171-H182 WeakPolarHBondContact CA-O 2.93Å; T171-H182 WeakPolarHBondContact CG2-O 3.04Å; L172-H182 HydrophobicContact CB-CB 4.23Å; L172-H182 HydrophobicContact CD1-CB 4.16Å; L172-H182 HydrophobicContact CG-CB 4.42Å; L172-H182 PolarHBondContact N-O 2.96Å; L172-H182 PolarHBondContact O-N 3.17Å
183C86.9Confident85.3Confident63 Ų6359.7 Ų59.743%0.42632%0.316SS..EExtended strand (participates in β ladder)trans-131.9116.6175.9-178.10000110T171T171-C183 HydrophobicContact CG2-CB 4.49Å
184Q88.1Confident85.2Confident12 Ų1260.6 Ų60.66%0.05632%0.323CS..EExtended strand (participates in β ladder)trans-113.4112-177.7177.356.355.900109.3L170 I186 I189 F204 A206L170-Q184 HydrophobicContact CB-CB 4.42Å; L170-Q184 PolarHBondContact N-O 2.89Å; L170-Q184 PolarHBondContact O-N 2.76Å; Q184-I186 PolarHBondContact O-N 2.77Å; Q184-I189 HydrophobicContact CG-CD1 4.05Å; Q184-I189 HydrophobicContact CG-CG1 3.7Å; Q184-F204 HydrophobicContact CG-CE2 3.91Å; Q184-F204 HydrophobicContact CG-CZ 4.34Å; Q184-A206 HydrophobicContact CG-CB 4.4Å; Q184-A206 VanDerWaalsContact OE1-CB 3.32Å
185P83.9Confident84.9Confident32 Ų3259.8 Ų59.821%0.20832%0.32CS..EExtended strand (participates in β ladder)trans-58.6129.6169.4-2333.9000110.1I187 N188P185-I187 HydrophobicContact CB-CG2 4.09Å; P185-I187 PolarHBondContact O-N 2.8Å; P185-N188 HydrophobicContact CB-CB 4.42Å; P185-N188 PolarHBondContact O-N 3.42Å
186I86.1Confident84.1Confident3 Ų362.5 Ų62.52%0.01534%0.339CS..G310 helixtrans-65.9-33.1-174.9-64.1169.8000110.6D168 L170 Q184 N188 I189 L232 M235 C236 M239D168-I186 WeakPolarHBondContact O-CB 3.43Å; D168-I186 WeakPolarHBondContact O-CG1 3.48Å; D168-I186 PolarHBondContact O-N 3.04Å; L170-I186 HydrophobicContact CB-CG1 4.37Å; Q184-I186 PolarHBondContact O-N 2.77Å; I186-N188 PolarHBondContact O-N 2.98Å; I186-N188 VanDerWaalsContact O-N 3.16Å; I186-I189 HydrophobicContact CG1-CD1 4.49Å; I186-I189 WeakPolarHBondContact O-CB 3.3Å; I186-I189 PolarHBondContact O-N 2.9Å; I186-L232 HydrophobicContact CD1-CD2 3.89Å; I186-L232 HydrophobicContact CG1-CD2 3.94Å; I186-L232 HydrophobicContact CG2-CD2 4.02Å; I186-M235 HydrophobicContact CD1-CB 4.23Å; I186-M235 HydrophobicContact CD1-CE 3.37Å; I186-M235 HydrophobicContact CD1-SD 3.89Å; I186-C236 WeakPolarHBondContact CG2-SG 3.49Å; I186-M239 HydrophobicContact CB-CE 3.73Å; I186-M239 HydrophobicContact CG2-CE 3.49Å; I186-M239 VanDerWaalsContact CG2-CE 3.49Å
187I81Confident83.3Confident115 Ų11560.3 Ų60.359%0.5933%0.328SS*.G310 helixtrans-59.5-22.5173.5-170165.7000113.9P185P185-I187 HydrophobicContact CB-CG2 4.09Å; P185-I187 PolarHBondContact O-N 2.8Å
188N83.9Confident82.5Confident90 Ų9059.1 Ų59.148%0.48132%0.322SS..G310 helixtrans-96.21.7178.5-69.35.1000113.1P185 I186 R190P185-N188 HydrophobicContact CB-CB 4.42Å; P185-N188 PolarHBondContact O-N 3.42Å; I186-N188 PolarHBondContact O-N 2.98Å; I186-N188 VanDerWaalsContact O-N 3.16Å; N188-R190 PolarHBondContact O-N 3.15Å
189I85.3Confident82.4Confident14 Ų1456.8 Ų56.87%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-80.4116.9171.7-60.5176.6000108.2L170 Q184 I186 V191 W192 F204 L232L170-I189 HydrophobicContact CD1-CD1 4.15Å; Q184-I189 HydrophobicContact CG-CD1 4.05Å; Q184-I189 HydrophobicContact CG-CG1 3.7Å; I186-I189 HydrophobicContact CG1-CD1 4.49Å; I186-I189 WeakPolarHBondContact O-CB 3.3Å; I186-I189 PolarHBondContact O-N 2.9Å; I189-V191 WeakPolarHBondContact CG2-O 3.44Å; I189-W192 HydrophobicContact CG2-CE3 4.09Å; I189-F204 HydrophobicContact CD1-CD2 4.43Å; I189-F204 HydrophobicContact CG1-CD2 4.27Å; I189-F204 HydrophobicContact CG2-CB 3.94Å; I189-F204 HydrophobicContact CG2-CD2 4.42Å; I189-L232 HydrophobicContact CD1-CD2 4.4Å
190R83.6Confident82.7Confident145 Ų14560.3 Ų60.355%0.54733%0.326SS..EExtended strand (participates in β ladder)trans-73.7-46.4-178.7-59.6-69.9-100.9-166.2-6111.6E121 L124 N188 V205 L214E121-R190 IonicContact OE1-CZ 3.8Å; E121-R190 IonicContact OE1-NE 3.13Å; E121-R190 IonicContact OE1-NH2 2.58Å; E121-R190 PolarHBondContact OE1-NH2 2.88Å; E121-R190 IonicContact OE2-CZ 3.17Å; E121-R190 IonicContact OE2-NE 2.82Å; E121-R190 PolarHBondContact OE2-NE 2.88Å; E121-R190 IonicContact OE2-NH2 3.44Å; E121-R190 PolarHBondContact OE2-NH2 3.09Å; L124-R190 HydrophobicContact CD1-CB 4.14Å; L124-R190 HydrophobicContact CD1-CG 4.48Å; N188-R190 PolarHBondContact O-N 3.15Å; R190-V205 PolarHBondContact N-O 3.18Å; R190-L214 HydrophobicContact CG-CD2 4.17Å
191V88.9Confident83.1Confident24 Ų2455.7 Ų55.715%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-148.1146.8-174.8-174.20000108.9L124 V133 I189 F204 V205L124-V191 HydrophobicContact CB-CG2 4.38Å; L124-V191 HydrophobicContact CD2-CG2 4.16Å; V133-V191 HydrophobicContact CG2-CB 4.42Å; V133-V191 HydrophobicContact CG2-CG1 3.88Å; I189-V191 WeakPolarHBondContact CG2-O 3.44Å; V191-F204 CarbonylContact O-C 3.53Å; V191-F204 WeakPolarHBondContact O-CA 3.32Å; V191-V205 HydrophobicContact CB-CB 4.41Å; V191-V205 HydrophobicContact CB-CG2 4.2Å; V191-V205 PolarHBondContact O-N 3Å
192W92.3Very high83.5Confident74 Ų7454.3 Ų54.328%0.2829%0.289SS..EExtended strand (participates in β ladder)trans-132.7158.8163.166.783.3000111.3I189 F202 A203 F204 L232 H233 C236I189-W192 HydrophobicContact CG2-CE3 4.09Å; W192-F202 HydrophobicContact CB-CE2 4.01Å; W192-F202 HydrophobicContact CB-CZ 4.1Å; W192-F202 HydrophobicContact CG-CE2 4.38Å; W192-A203 CarbonylContact C-O 3.26Å; W192-A203 WeakPolarHBondContact CA-O 3.45Å; W192-A203 WeakPolarHBondContact CB-O 3.19Å; W192-F204 HydrophobicContact CB-CB 4.16Å; W192-L232 HydrophobicContact CG-CD1 4.49Å; W192-L232 HydrophobicContact CZ2-CB 4.48Å; W192-H233 HydrophobicContact CZ2-CB 4.07Å; W192-C236 HydrophobicContact CH2-CB 4.1Å
193G88.2Confident83.9Confident18 Ų1852 Ų5219%0.18628%0.278CS..EExtended strand (participates in β ladder)trans-152.4166.9-175.400000113.4F202 A203G193-F202 WeakPolarHBondContact O-CD2 3.49Å; G193-A203 PolarHBondContact N-O 2.88Å; G193-A203 PolarHBondContact O-N 3.38Å
194V87.7Confident84.2Confident51 Ų5149 Ų4931%0.30926%0.258SS..EExtended strand (participates in β ladder)trans-131134.1177.4175.70000108.6C196 D201 F202 A225 A229V194-C196 PolarHBondContact O-N 3.48Å; V194-D201 CarbonylContact C-O 3.51Å; V194-D201 WeakPolarHBondContact CA-O 3.49Å; V194-F202 HydrophobicContact CG2-CD2 4.45Å; V194-A225 HydrophobicContact CG1-CB 3.76Å; V194-A225 HydrophobicContact CG2-CB 4.15Å; V194-A229 HydrophobicContact CG2-CB 3.68Å
195G80.3Confident84.4Confident6 Ų648.4 Ų48.46%0.06226%0.255CS..  trans-64.3119.4-179.900000112.3N197 G199 D201G195-N197 VanDerWaalsContact C-N 3.27Å; G195-N197 PolarHBondContact O-N 2.8Å; G195-G199 WeakPolarHBondContact O-CA 3.44Å; G195-G199 PolarHBondContact O-N 3.06Å; G195-D201 PolarHBondContact N-O 2.94Å
196C66.9Low84.6Confident94 Ų9447 Ų4764%0.63525%0.246SC*.THydrogen-bonded Turntrans-64.2-27.9-179.951.60000114V194V194-C196 PolarHBondContact O-N 3.48Å
197N65.5Low84.5Confident111 Ų11148.7 Ų48.759%0.59426%0.264SS*.THydrogen-bonded Turntrans-77.4-31.8-172.2-64.8-7.2000113.9G195G195-N197 VanDerWaalsContact C-N 3.27Å; G195-N197 PolarHBondContact O-N 2.8Å
198N68.3Low84.4Confident73 Ų7345.1 Ų45.139%0.3925%0.246SC..THydrogen-bonded Turntrans-131.8-12.3-175.366.222.3000114.7R200 D201N198-R200 PolarHBondContact O-N 2.81Å; N198-R200 PolarHBondContact OD1-N 3.17Å; N198-D201 PolarHBondContact ND2-OD2 2.99Å; N198-D201 PolarHBondContact OD1-N 3.4Å; N198-D201 VanDerWaalsContact OD1-N 3.08Å
199G78.4Confident83.2Confident32 Ų3248.8 Ų48.833%0.3326%0.258SS..SBendtrans628.8-177.700000115.5G195 A225G195-G199 WeakPolarHBondContact O-CA 3.44Å; G195-G199 PolarHBondContact O-N 3.06Å; G199-A225 PolarHBondContact O-N 2.99Å
200R87.7Confident82.1Confident133 Ų13355.5 Ų55.550%0.50229%0.294SS..  trans-113-23.6-176.5-72.3-176.2-177.4-100.55.5113.3N198 C221 N222N198-R200 PolarHBondContact O-N 2.81Å; N198-R200 PolarHBondContact OD1-N 3.17Å; R200-C221 VanDerWaalsContact O-CB 3.24Å; R200-C221 WeakPolarHBondContact O-CB 3.38Å; R200-C221 PolarHBondContact O-N 2.68Å; R200-C221 PolarHBondContact O-SG 3.46Å; R200-N222 PolarHBondContact NH1-O 3.17Å
201D91.4Very high81.1Confident1 Ų151.3 Ų51.31%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-84.4122.8175.8-61.1-29.1000109.7I137 S141 V194 G195 N198 F219 R220I137-D201 HydrophobicContact CG2-CB 3.76Å; S141-D201 VanDerWaalsContact CB-OD2 3.3Å; S141-D201 WeakPolarHBondContact CB-OD2 3.42Å; V194-D201 CarbonylContact C-O 3.51Å; V194-D201 WeakPolarHBondContact CA-O 3.49Å; G195-D201 PolarHBondContact N-O 2.94Å; N198-D201 PolarHBondContact ND2-OD2 2.99Å; N198-D201 PolarHBondContact OD1-N 3.4Å; N198-D201 VanDerWaalsContact OD1-N 3.08Å; D201-F219 CarbonylContact C-O 3.57Å; D201-F219 WeakPolarHBondContact CA-O 3.43Å; D201-R220 WeakPolarHBondContact OD1-CB 3.01Å; D201-R220 WeakPolarHBondContact OD1-CG 3.39Å; D201-R220 IonicContact OD1-CZ 3.56Å; D201-R220 IonicContact OD1-NE 2.81Å; D201-R220 PolarHBondContact OD1-NE 2.91Å; D201-R220 IonicContact OD1-NH2 2.73Å; D201-R220 PolarHBondContact OD1-NH2 3.34Å; D201-R220 IonicContact OD2-CZ 3.48Å; D201-R220 IonicContact OD2-NE 2.8Å; D201-R220 IonicContact OD2-NH2 2.84Å; D201-R220 PolarHBondContact OD2-NH2 2.87Å
202F93.4Very high80.1Confident0 Ų055.9 Ų55.90%032%0.319CS..EExtended strand (participates in β ladder)trans-107.3144.3174.5172.6-107.9000109.2L163 W192 G193 V194 F204 F219 C221 A225 I228 A229 L232L163-F202 HydrophobicContact CD1-CD1 4.41Å; L163-F202 HydrophobicContact CD1-CE1 4.37Å; W192-F202 HydrophobicContact CB-CE2 4.01Å; W192-F202 HydrophobicContact CB-CZ 4.1Å; W192-F202 HydrophobicContact CG-CE2 4.38Å; G193-F202 WeakPolarHBondContact O-CD2 3.49Å; V194-F202 HydrophobicContact CG2-CD2 4.45Å; F202-F204 HydrophobicContact CE1-CB 4.4Å; F202-F204 HydrophobicContact CE1-CD1 4.01Å; F202-F204 HydrophobicContact CZ-CB 4.23Å; F202-F219 HydrophobicContact CD1-CD2 4.28Å; F202-F219 PolarHBondContact N-O 3.44Å; F202-F219 PolarHBondContact O-N 3.35Å; F202-C221 VanDerWaalsContact CB-SG 3.57Å; F202-A225 HydrophobicContact CB-CB 3.77Å; F202-I228 HydrophobicContact CD1-CD1 4.47Å; F202-I228 HydrophobicContact CD1-CG2 4.02Å; F202-I228 HydrophobicContact CD2-CB 4.21Å; F202-I228 HydrophobicContact CD2-CG2 4.18Å; F202-I228 HydrophobicContact CE1-CG2 3.88Å; F202-I228 HydrophobicContact CE2-CB 4.45Å; F202-I228 HydrophobicContact CE2-CG2 4.05Å; F202-I228 HydrophobicContact CG-CB 4.32Å; F202-I228 HydrophobicContact CG-CD1 4.47Å; F202-I228 HydrophobicContact CG-CG2 4.19Å; F202-I228 HydrophobicContact CZ-CG2 3.92Å; F202-A229 HydrophobicContact CE2-CB 4.39Å; F202-L232 HydrophobicContact CE1-CD1 4.27Å; F202-L232 HydrophobicContact CE2-CD1 3.96Å; F202-L232 HydrophobicContact CZ-CD1 3.36Å
203A93.8Very high79.6Confident0 Ų054.1 Ų54.10%032%0.316CS..EExtended strand (participates in β ladder)trans-141150.8173.900000112.4V133 I137 W192 G193 H217 V218V133-A203 HydrophobicContact CG1-CB 3.85Å; I137-A203 HydrophobicContact CD1-CB 3.76Å; I137-A203 HydrophobicContact CG1-CB 3.66Å; W192-A203 CarbonylContact C-O 3.26Å; W192-A203 WeakPolarHBondContact CA-O 3.45Å; W192-A203 WeakPolarHBondContact CB-O 3.19Å; G193-A203 PolarHBondContact N-O 2.88Å; G193-A203 PolarHBondContact O-N 3.38Å; A203-H217 WeakPolarHBondContact CA-O 3.41Å; A203-H217 WeakPolarHBondContact CB-O 3.22Å; A203-V218 HydrophobicContact CB-CB 4.48Å; A203-V218 HydrophobicContact CB-CG2 3.9Å
204F93.9Very high79.4Confident1 Ų154.5 Ų54.50%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-136.5154.3168.875.8-97.7000111.2L170 Q184 I189 V191 W192 F202 A206 C216 H217 F219L170-F204 HydrophobicContact CD1-CD1 4.09Å; L170-F204 HydrophobicContact CD1-CE1 4.09Å; L170-F204 HydrophobicContact CD2-CE1 4.19Å; Q184-F204 HydrophobicContact CG-CE2 3.91Å; Q184-F204 HydrophobicContact CG-CZ 4.34Å; I189-F204 HydrophobicContact CD1-CD2 4.43Å; I189-F204 HydrophobicContact CG1-CD2 4.27Å; I189-F204 HydrophobicContact CG2-CB 3.94Å; I189-F204 HydrophobicContact CG2-CD2 4.42Å; V191-F204 CarbonylContact O-C 3.53Å; V191-F204 WeakPolarHBondContact O-CA 3.32Å; W192-F204 HydrophobicContact CB-CB 4.16Å; F202-F204 HydrophobicContact CE1-CB 4.4Å; F202-F204 HydrophobicContact CE1-CD1 4.01Å; F202-F204 HydrophobicContact CZ-CB 4.23Å; F204-A206 HydrophobicContact CD2-CB 4.15Å; F204-A206 HydrophobicContact CE2-CB 3.98Å; F204-C216 CarbonylContact O-C 3.59Å; F204-C216 WeakPolarHBondContact O-CA 3.34Å; F204-H217 HydrophobicContact CD1-CB 4.44Å; F204-H217 HydrophobicContact CE1-CB 4.12Å; F204-H217 HydrophobicContact CE2-CB 4.49Å; F204-H217 AromaticContact CE2-CD2 3.89Å; F204-H217 HydrophobicContact CZ-CB 4.13Å; F204-H217 PolarHBondContact N-O 2.83Å; F204-H217 PolarHBondContact O-N 2.81Å; F204-F219 AromaticContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CE1-CD2 4.48Å; F204-F219 AromaticContact CE1-CE2 3.47Å; F204-F219 HydrophobicContact CE1-CE2 3.47Å; F204-F219 VanDerWaalsContact CE1-CE2 3.47Å; F204-F219 AromaticContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CZ-CE2 4.45Å
205V91.7Very high79.6Confident0 Ų053.2 Ų53.20%030%0.304CS..EExtended strand (participates in β ladder)trans-116126177.1-167.70000109.2L124 V133 R190 V191 L214 K215 C216L124-V205 HydrophobicContact CD1-CB 4.48Å; L124-V205 HydrophobicContact CD1-CG1 3.74Å; L124-V205 HydrophobicContact CD2-CB 4.48Å; L124-V205 HydrophobicContact CD2-CG1 4.16Å; L124-V205 HydrophobicContact CD2-CG2 4.15Å; V133-V205 HydrophobicContact CG2-CG2 3.71Å; R190-V205 PolarHBondContact N-O 3.18Å; V191-V205 HydrophobicContact CB-CB 4.41Å; V191-V205 HydrophobicContact CB-CG2 4.2Å; V191-V205 PolarHBondContact O-N 3Å; V205-L214 HydrophobicContact CG1-CB 4.16Å; V205-K215 WeakPolarHBondContact CA-O 3.5Å; V205-C216 HydrophobicContact CG2-CB 3.86Å
206A89.3Confident80.2Confident2 Ų252.9 Ų52.92%0.01730%0.301CS..EExtended strand (participates in β ladder)trans-140.5156.9175.500000110.6Q184 F204 K215Q184-A206 HydrophobicContact CG-CB 4.4Å; Q184-A206 VanDerWaalsContact OE1-CB 3.32Å; F204-A206 HydrophobicContact CD2-CB 4.15Å; F204-A206 HydrophobicContact CE2-CB 3.98Å; A206-K215 PolarHBondContact N-O 2.7Å; A206-K215 VanDerWaalsContact N-O 3.15Å; A206-K215 PolarHBondContact O-N 3.16Å
207G82.9Confident81.4Confident39 Ų3949.7 Ų49.740%0.40228%0.277SS..EExtended strand (participates in β ladder)trans-76.6132172.600000111.3
208D78.3Confident82.7Confident40 Ų4044.4 Ų44.421%0.21425%0.248CC..  trans-75.8126.1174.2-16766.7000110.8D210 S211 C212 V213 K215D208-D210 VanDerWaalsContact C-N 3.26Å; D208-D210 PolarHBondContact O-N 3.34Å; D208-S211 PolarHBondContact OD2-N 3.48Å; D208-S211 PolarHBondContact OD2-OG 3.19Å; D208-C212 PolarHBondContact O-N 3.2Å; D208-V213 HydrophobicContact CB-CG2 4.3Å; D208-V213 WeakPolarHBondContact CB-O 3.29Å; D208-V213 PolarHBondContact N-O 2.86Å; D208-K215 HydrophobicContact CB-CD 3.96Å; D208-K215 HydrophobicContact CB-CG 4.32Å; D208-K215 WeakPolarHBondContact OD1-CE 3.39Å; D208-K215 IonicContact OD1-NZ 3.45Å; D208-K215 PolarHBondContact OD1-NZ 2.97Å; D208-K215 IonicContact OD2-NZ 3.61Å; D208-K215 PolarHBondContact OD2-NZ 3.09Å
209K60.3Low83.9Confident167 Ų16741.1 Ų41.173%0.72623%0.231SC*.THydrogen-bonded Turntrans-61.8-33.3-173.7-66.2-175.4180-179.30113.4
210D61Low84.5Confident154 Ų15443.7 Ų43.782%0.82423%0.23SC*.THydrogen-bonded Turntrans-96.8-20.6-169.9-51.8-48.2000113.6D208D208-D210 VanDerWaalsContact C-N 3.26Å; D208-D210 PolarHBondContact O-N 3.34Å
211S62.7Low84.7Confident58 Ų5837.5 Ų37.541%0.40621%0.207SC..THydrogen-bonded Turntrans-123.6-2.5-175.264.60000115.2D208 V213D208-S211 PolarHBondContact OD2-N 3.48Å; D208-S211 PolarHBondContact OD2-OG 3.19Å; S211-V213 PolarHBondContact O-N 3.16Å; S211-V213 WeakPolarHBondContact OG-CG2 3.39Å
212C68.8Low84.6Confident120 Ų12041.5 Ų41.581%0.81123%0.229SC*.  trans57.46.6-178.2-56.70000115.7D208D208-C212 PolarHBondContact O-N 3.2Å
213V80.7Confident84.2Confident37 Ų3743.5 Ų43.522%0.22425%0.245CC..  trans-83.8148.7175.5-49.50000110.9Q118 D208 S211 K215Q118-V213 HydrophobicContact CG-CB 4.39Å; D208-V213 HydrophobicContact CB-CG2 4.3Å; D208-V213 WeakPolarHBondContact CB-O 3.29Å; D208-V213 PolarHBondContact N-O 2.86Å; S211-V213 PolarHBondContact O-N 3.16Å; S211-V213 WeakPolarHBondContact OG-CG2 3.39Å; V213-K215 HydrophobicContact CG2-CD 4.47Å; V213-K215 HydrophobicContact CG2-CG 3.91Å
214L84.4Confident83.9Confident25 Ų2547.7 Ų47.713%0.13127%0.272CS..EExtended strand (participates in β ladder)trans-85.7122.1173.9-58.2155.7000108.7Q118 V119 E121 L124 R190 V205Q118-L214 WeakPolarHBondContact CA-O 3.49Å; V119-L214 PolarHBondContact N-O 2.83Å; V119-L214 WeakPolarHBondContact O-CB 3.43Å; E121-L214 HydrophobicContact CB-CD1 3.84Å; E121-L214 WeakPolarHBondContact OE2-CD1 3.44Å; L124-L214 HydrophobicContact CD1-CD1 3.82Å; L124-L214 HydrophobicContact CD1-CD2 4.46Å; R190-L214 HydrophobicContact CG-CD2 4.17Å; V205-L214 HydrophobicContact CG1-CB 4.16Å
215K90.8Very high83.7Confident24 Ų2447.6 Ų47.610%0.10427%0.272CS..EExtended strand (participates in β ladder)trans-107.7121.6179.7-63.3-177.9-178.1166.60109.2W116 V205 A206 D208 V213 H217W116-K215 HydrophobicContact CD2-CB 4.45Å; W116-K215 HydrophobicContact CD2-CD 3.93Å; W116-K215 HydrophobicContact CD2-CG 4.21Å; W116-K215 HydrophobicContact CE3-CB 4.02Å; W116-K215 HydrophobicContact CE3-CD 3.77Å; W116-K215 HydrophobicContact CE3-CG 3.62Å; W116-K215 HydrophobicContact CH2-CD 4.27Å; W116-K215 HydrophobicContact CZ2-CD 4.4Å; W116-K215 HydrophobicContact CZ3-CD 3.95Å; W116-K215 HydrophobicContact CZ3-CG 3.85Å; V205-K215 WeakPolarHBondContact CA-O 3.5Å; A206-K215 PolarHBondContact N-O 2.7Å; A206-K215 VanDerWaalsContact N-O 3.15Å; A206-K215 PolarHBondContact O-N 3.16Å; D208-K215 HydrophobicContact CB-CD 3.96Å; D208-K215 HydrophobicContact CB-CG 4.32Å; D208-K215 WeakPolarHBondContact OD1-CE 3.39Å; D208-K215 IonicContact OD1-NZ 3.45Å; D208-K215 PolarHBondContact OD1-NZ 2.97Å; D208-K215 IonicContact OD2-NZ 3.61Å; D208-K215 PolarHBondContact OD2-NZ 3.09Å; V213-K215 HydrophobicContact CG2-CD 4.47Å; V213-K215 HydrophobicContact CG2-CG 3.91Å; K215-H217 VanDerWaalsContact CB-NE2 3.34Å; K215-H217 WeakPolarHBondContact CB-NE2 3.46Å; K215-H217 PolarHBondContact O-CD2 2.63Å
216C93.4Very high83.4Confident0 Ų054.6 Ų54.60%030%0.302CS..EExtended strand (participates in β ladder)trans-88.5104.9167.3-176.20000108.6W116 L117 V119 V136 F204 V205W116-C216 CarbonylContact C-O 3.58Å; W116-C216 WeakPolarHBondContact CA-O 3.31Å; W116-C216 WeakPolarHBondContact CB-O 3.22Å; L117-C216 PolarHBondContact N-O 2.91Å; L117-C216 PolarHBondContact O-N 2.91Å; V119-C216 HydrophobicContact CG2-CB 3.56Å; V136-C216 HydrophobicContact CB-CB 4.36Å; V136-C216 HydrophobicContact CG1-CB 3.88Å; V136-C216 VanDerWaalsContact CG1-SG 3.57Å; V136-C216 HydrophobicContact CG2-CB 4.27Å; F204-C216 CarbonylContact O-C 3.59Å; F204-C216 WeakPolarHBondContact O-CA 3.34Å; V205-C216 HydrophobicContact CG2-CB 3.86Å
217H92.5Very high83.3Confident27 Ų2756.6 Ų56.613%0.12532%0.318CS..EExtended strand (participates in β ladder)trans-88.5131.5177.6-64.2-89.8000109.8A203 F204 K215 F219A203-H217 WeakPolarHBondContact CA-O 3.41Å; A203-H217 WeakPolarHBondContact CB-O 3.22Å; F204-H217 HydrophobicContact CD1-CB 4.44Å; F204-H217 HydrophobicContact CE1-CB 4.12Å; F204-H217 HydrophobicContact CE2-CB 4.49Å; F204-H217 AromaticContact CE2-CD2 3.89Å; F204-H217 HydrophobicContact CZ-CB 4.13Å; F204-H217 PolarHBondContact N-O 2.83Å; F204-H217 PolarHBondContact O-N 2.81Å; K215-H217 VanDerWaalsContact CB-NE2 3.34Å; K215-H217 WeakPolarHBondContact CB-NE2 3.46Å; K215-H217 PolarHBondContact O-CD2 2.63Å; H217-F219 HydrophobicContact CB-CE2 3.58Å; H217-F219 HydrophobicContact CB-CZ 3.94Å
218V93.3Very high83.6Confident0 Ų054.8 Ų54.80%030%0.3CS..EExtended strand (participates in β ladder)trans-118.4137.2-178.7-174.30000110.5L114 G115 V136 I137 L140 A203L114-V218 HydrophobicContact CB-CB 4.26Å; L114-V218 HydrophobicContact CB-CG1 4.24Å; L114-V218 HydrophobicContact CD1-CG1 3.99Å; L114-V218 HydrophobicContact CG-CG1 4.47Å; L114-V218 PolarHBondContact N-O 2.96Å; G115-V218 PolarHBondContact O-N 2.89Å; V136-V218 HydrophobicContact CG1-CG2 3.72Å; I137-V218 HydrophobicContact CG1-CG1 4.15Å; I137-V218 HydrophobicContact CG1-CG2 4.2Å; L140-V218 HydrophobicContact CB-CB 4.43Å; L140-V218 HydrophobicContact CB-CG2 4.47Å; L140-V218 HydrophobicContact CD1-CB 3.97Å; L140-V218 HydrophobicContact CD1-CG2 3.69Å; A203-V218 HydrophobicContact CB-CB 4.48Å; A203-V218 HydrophobicContact CB-CG2 3.9Å
219F93.4Very high84Confident4 Ų453.6 Ų53.62%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-132.2136.4-177.3-57.7-89.1000110.1V111 R112 L172 D201 F202 F204 H217V111-F219 HydrophobicContact CB-CB 4.17Å; V111-F219 HydrophobicContact CG2-CB 4.47Å; V111-F219 HydrophobicContact CG2-CD1 3.95Å; V111-F219 HydrophobicContact CG2-CG 4.49Å; R112-F219 CarbonylContact O-C 3.51Å; R112-F219 WeakPolarHBondContact O-CA 3.46Å; L172-F219 HydrophobicContact CD1-CE1 3.76Å; L172-F219 HydrophobicContact CD1-CZ 3.78Å; L172-F219 HydrophobicContact CD2-CE1 4.09Å; L172-F219 HydrophobicContact CD2-CZ 4.37Å; D201-F219 CarbonylContact C-O 3.57Å; D201-F219 WeakPolarHBondContact CA-O 3.43Å; F202-F219 HydrophobicContact CD1-CD2 4.28Å; F202-F219 PolarHBondContact N-O 3.44Å; F202-F219 PolarHBondContact O-N 3.35Å; F204-F219 AromaticContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CD1-CE2 3.84Å; F204-F219 HydrophobicContact CE1-CD2 4.48Å; F204-F219 AromaticContact CE1-CE2 3.47Å; F204-F219 HydrophobicContact CE1-CE2 3.47Å; F204-F219 VanDerWaalsContact CE1-CE2 3.47Å; F204-F219 AromaticContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CE1-CZ 3.99Å; F204-F219 HydrophobicContact CZ-CE2 4.45Å; H217-F219 HydrophobicContact CB-CE2 3.58Å; H217-F219 HydrophobicContact CB-CZ 3.94Å
220R91.6Very high85.2Confident86 Ų8648.6 Ų48.633%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-91.5121.1168.7-175.2156.6-68.5153.80.4109.5V111 R112 L114 S141 D201V111-R220 CarbonylContact C-O 3.5Å; V111-R220 WeakPolarHBondContact CA-O 3.25Å; R112-R220 PolarHBondContact N-O 3.29Å; R112-R220 PolarHBondContact O-N 3.26Å; L114-R220 HydrophobicContact CD1-CB 4.21Å; L114-R220 HydrophobicContact CD2-CB 4.11Å; L114-R220 HydrophobicContact CG-CB 4.18Å; S141-R220 PolarHBondContact O-NH2 3.1Å; D201-R220 WeakPolarHBondContact OD1-CB 3.01Å; D201-R220 WeakPolarHBondContact OD1-CG 3.39Å; D201-R220 IonicContact OD1-CZ 3.56Å; D201-R220 IonicContact OD1-NE 2.81Å; D201-R220 PolarHBondContact OD1-NE 2.91Å; D201-R220 IonicContact OD1-NH2 2.73Å; D201-R220 PolarHBondContact OD1-NH2 3.34Å; D201-R220 IonicContact OD2-CZ 3.48Å; D201-R220 IonicContact OD2-NE 2.8Å; D201-R220 IonicContact OD2-NH2 2.84Å; D201-R220 PolarHBondContact OD2-NH2 2.87Å
221C91.8Very high86.5Confident3 Ų341.4 Ų41.42%0.0224%0.243CC..EExtended strand (participates in β ladder)trans-98.2139.9-173.5-54.20000111.8V111 R200 F202 A223 A225 I228V111-C221 HydrophobicContact CG1-CB 4.34Å; R200-C221 VanDerWaalsContact O-CB 3.24Å; R200-C221 WeakPolarHBondContact O-CB 3.38Å; R200-C221 PolarHBondContact O-N 2.68Å; R200-C221 PolarHBondContact O-SG 3.46Å; F202-C221 VanDerWaalsContact CB-SG 3.57Å; C221-A223 CarbonylContact C-O 3.43Å; C221-A223 WeakPolarHBondContact CB-O 3.3Å; C221-A225 HydrophobicContact CB-CB 4.47Å; C221-I228 HydrophobicContact CB-CD1 4.35Å; C221-I228 WeakPolarHBondContact SG-CD1 3.5Å
222N88Confident87.6Confident85 Ų8538.6 Ų38.646%0.45522%0.224SC..SBendtrans-71.3-37.7174-70.3-2.7000111A110 R200A110-N222 HydrophobicContact CB-CB 4.29Å; A110-N222 PolarHBondContact O-N 3.26Å; A110-N222 VanDerWaalsContact O-N 3.11Å; R200-N222 PolarHBondContact NH1-O 3.17Å
223A85.9Confident88.3Confident41 Ų4138.3 Ų38.334%0.33921%0.211SC..SBendtrans-87.6164.8168.300000111.6C221 A225C221-A223 CarbonylContact C-O 3.43Å; C221-A223 WeakPolarHBondContact CB-O 3.3Å; A223-A225 PolarHBondContact O-N 2.69Å
224P86.9Confident88.5Confident88 Ų8842 Ų4257%0.57123%0.225SC*.  trans-56.6125.7174.5-24.134.5000111.5K226 A227P224-K226 PolarHBondContact O-N 2.84Å; P224-A227 VanDerWaalsContact O-CB 3.27Å; P224-A227 WeakPolarHBondContact O-CB 3.32Å; P224-A227 PolarHBondContact O-N 3.06Å
225A89.6Confident88.4Confident0 Ų041.7 Ų41.70%022%0.223CC..Hα-helixtrans-60.6-23.3-177.300000113.2V194 G199 F202 C221 A223 A227 I228 A229V194-A225 HydrophobicContact CG1-CB 3.76Å; V194-A225 HydrophobicContact CG2-CB 4.15Å; G199-A225 PolarHBondContact O-N 2.99Å; F202-A225 HydrophobicContact CB-CB 3.77Å; C221-A225 HydrophobicContact CB-CB 4.47Å; A223-A225 PolarHBondContact O-N 2.69Å; A225-A227 PolarHBondContact O-N 3.31Å; A225-I228 PolarHBondContact O-N 3.28Å; A225-I228 VanDerWaalsContact O-N 3.16Å; A225-A229 PolarHBondContact O-N 2.8Å; A225-A229 VanDerWaalsContact O-N 3.11Å
226K85.7Confident87.7Confident147 Ų14741.3 Ų41.364%0.63922%0.224SC*.Hα-helixtrans-55.1-33169.1-172.7176.5179.6-178.70112.8P224 A229 S230P224-K226 PolarHBondContact O-N 2.84Å; K226-A229 PolarHBondContact O-N 3.15Å; K226-S230 VanDerWaalsContact O-CB 3.32Å; K226-S230 WeakPolarHBondContact O-CB 3.13Å; K226-S230 PolarHBondContact O-N 3.23Å; K226-S230 PolarHBondContact O-OG 3.4Å
227A87.3Confident87.1Confident43 Ų4344 Ų4436%0.35524%0.242SC..Hα-helixtrans-64.2-41.2177.700000112F109 P224 A225 A231F109-A227 HydrophobicContact CE1-CB 3.94Å; P224-A227 VanDerWaalsContact O-CB 3.27Å; P224-A227 WeakPolarHBondContact O-CB 3.32Å; P224-A227 PolarHBondContact O-N 3.06Å; A225-A227 PolarHBondContact O-N 3.31Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.33Å; A227-A231 PolarHBondContact O-N 2.84Å
228I88.9Confident86.4Confident1 Ų146.2 Ų46.21%0.00525%0.252CS..Hα-helixtrans-66.4-47.3175-51.3-171.7000110.2F109 V111 L163 L165 F202 C221 A225 S230 A231 L232F109-I228 HydrophobicContact CB-CD1 3.83Å; F109-I228 HydrophobicContact CB-CG1 4.19Å; F109-I228 HydrophobicContact CD1-CD1 4.21Å; F109-I228 HydrophobicContact CD1-CG1 3.64Å; F109-I228 HydrophobicContact CD2-CD1 4.29Å; F109-I228 HydrophobicContact CD2-CG1 3.92Å; F109-I228 HydrophobicContact CE1-CG1 3.89Å; F109-I228 HydrophobicContact CE2-CG1 4.18Å; F109-I228 HydrophobicContact CG-CD1 3.86Å; F109-I228 HydrophobicContact CG-CG1 3.64Å; F109-I228 HydrophobicContact CZ-CG1 4.15Å; V111-I228 HydrophobicContact CG1-CD1 3.98Å; L163-I228 HydrophobicContact CD1-CD1 4.39Å; L163-I228 HydrophobicContact CD1-CG2 4.48Å; L163-I228 HydrophobicContact CD2-CG2 4.13Å; L165-I228 HydrophobicContact CD1-CG2 4.23Å; F202-I228 HydrophobicContact CD1-CD1 4.47Å; F202-I228 HydrophobicContact CD1-CG2 4.02Å; F202-I228 HydrophobicContact CD2-CB 4.21Å; F202-I228 HydrophobicContact CD2-CG2 4.18Å; F202-I228 HydrophobicContact CE1-CG2 3.88Å; F202-I228 HydrophobicContact CE2-CB 4.45Å; F202-I228 HydrophobicContact CE2-CG2 4.05Å; F202-I228 HydrophobicContact CG-CB 4.32Å; F202-I228 HydrophobicContact CG-CD1 4.47Å; F202-I228 HydrophobicContact CG-CG2 4.19Å; F202-I228 HydrophobicContact CZ-CG2 3.92Å; C221-I228 HydrophobicContact CB-CD1 4.35Å; C221-I228 WeakPolarHBondContact SG-CD1 3.5Å; A225-I228 PolarHBondContact O-N 3.28Å; A225-I228 VanDerWaalsContact O-N 3.16Å; I228-S230 VanDerWaalsContact C-N 3.33Å; I228-S230 PolarHBondContact O-N 3.04Å; I228-A231 PolarHBondContact O-N 2.86Å; I228-L232 HydrophobicContact CG2-CD1 4.26Å; I228-L232 PolarHBondContact O-N 3.42Å
229A87.8Confident85.5Confident15 Ų1548.3 Ų48.312%0.12426%0.262CS..Hα-helixtrans-62.8-37.2178.800000113V194 F202 A225 K226 H233V194-A229 HydrophobicContact CG2-CB 3.68Å; F202-A229 HydrophobicContact CE2-CB 4.39Å; A225-A229 PolarHBondContact O-N 2.8Å; A225-A229 VanDerWaalsContact O-N 3.11Å; K226-A229 PolarHBondContact O-N 3.15Å; A229-H233 VanDerWaalsContact O-CB 3.29Å; A229-H233 WeakPolarHBondContact O-CB 3.3Å; A229-H233 PolarHBondContact O-N 3.17Å
230S84.4Confident84.2Confident62 Ų6253.4 Ų53.443%0.43429%0.287SS..Hα-helixtrans-71-38.1173.5-72.90000112.4K226 I228 H233 E234K226-S230 VanDerWaalsContact O-CB 3.32Å; K226-S230 WeakPolarHBondContact O-CB 3.13Å; K226-S230 PolarHBondContact O-N 3.23Å; K226-S230 PolarHBondContact O-OG 3.4Å; I228-S230 VanDerWaalsContact C-N 3.33Å; I228-S230 PolarHBondContact O-N 3.04Å; S230-H233 PolarHBondContact O-N 3.41Å; S230-E234 WeakPolarHBondContact O-CB 3.3Å; S230-E234 PolarHBondContact O-N 2.83Å
231A87.8Confident83Confident3 Ų352.3 Ų52.33%0.02529%0.292CS..Hα-helixtrans-64.5-44.9174.300000112.1K107 F109 L165 A227 I228 E234 M235K107-A231 HydrophobicContact CD-CB 3.62Å; F109-A231 HydrophobicContact CE2-CB 4.43Å; F109-A231 HydrophobicContact CZ-CB 4.16Å; L165-A231 HydrophobicContact CD1-CB 3.55Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.33Å; A227-A231 PolarHBondContact O-N 2.84Å; I228-A231 PolarHBondContact O-N 2.86Å; A231-E234 PolarHBondContact O-N 3.5Å; A231-M235 WeakPolarHBondContact O-CG 3.23Å; A231-M235 PolarHBondContact O-N 3.37Å
232L86.9Confident81.4Confident0 Ų056.9 Ų56.90%031%0.313CS..Hα-helixtrans-61.9-41.8172.1-80.6169.6000112L165 L170 I186 I189 W192 F202 I228 E234 M235 C236L165-L232 HydrophobicContact CD1-CD2 4.25Å; L165-L232 HydrophobicContact CD1-CG 3.87Å; L165-L232 HydrophobicContact CD2-CD2 3.61Å; L165-L232 HydrophobicContact CD2-CG 4.02Å; L170-L232 HydrophobicContact CD1-CD1 4.34Å; L170-L232 HydrophobicContact CD1-CD2 4.45Å; I186-L232 HydrophobicContact CD1-CD2 3.89Å; I186-L232 HydrophobicContact CG1-CD2 3.94Å; I186-L232 HydrophobicContact CG2-CD2 4.02Å; I189-L232 HydrophobicContact CD1-CD2 4.4Å; W192-L232 HydrophobicContact CG-CD1 4.49Å; W192-L232 HydrophobicContact CZ2-CB 4.48Å; F202-L232 HydrophobicContact CE1-CD1 4.27Å; F202-L232 HydrophobicContact CE2-CD1 3.96Å; F202-L232 HydrophobicContact CZ-CD1 3.36Å; I228-L232 HydrophobicContact CG2-CD1 4.26Å; I228-L232 PolarHBondContact O-N 3.42Å; L232-E234 PolarHBondContact O-N 2.79Å; L232-M235 PolarHBondContact O-N 2.97Å; L232-C236 VanDerWaalsContact O-CB 3.28Å; L232-C236 WeakPolarHBondContact O-CB 3.36Å; L232-C236 PolarHBondContact O-N 3.18Å; L232-C236 PolarHBondContact O-SG 3.05Å
233H83.6Confident79.4Confident114 Ų11457.6 Ų57.653%0.52831%0.313SS..Hα-helixtrans-63-41.7175.9-177.274.5000112.1W192 A229 S230 C236 S237W192-H233 HydrophobicContact CZ2-CB 4.07Å; A229-H233 VanDerWaalsContact O-CB 3.29Å; A229-H233 WeakPolarHBondContact O-CB 3.3Å; A229-H233 PolarHBondContact O-N 3.17Å; S230-H233 PolarHBondContact O-N 3.41Å; H233-C236 PolarHBondContact O-N 2.78Å; H233-S237 VanDerWaalsContact O-CB 3.26Å; H233-S237 WeakPolarHBondContact O-CB 3.5Å; H233-S237 PolarHBondContact O-N 2.86Å
234E84.1Confident77.4Confident114 Ų11457.8 Ų57.853%0.53331%0.314SS..Hα-helixtrans-64-43.1175-174.8179.5-173.500111.7K107 S230 A231 L232 S237 K238K107-E234 IonicContact NZ-OE2 3.19Å; K107-E234 PolarHBondContact NZ-OE2 2.92Å; S230-E234 WeakPolarHBondContact O-CB 3.3Å; S230-E234 PolarHBondContact O-N 2.83Å; A231-E234 PolarHBondContact O-N 3.5Å; L232-E234 PolarHBondContact O-N 2.79Å; E234-S237 CarbonylContact O-C 3.57Å; E234-S237 WeakPolarHBondContact O-CB 3.49Å; E234-S237 PolarHBondContact O-N 2.97Å; E234-K238 WeakPolarHBondContact O-CB 3.19Å; E234-K238 PolarHBondContact O-N 3.19Å
235M81.9Confident75.2Confident19 Ų1961 Ų619%0.09433%0.325CS..Hα-helixtrans-66.9-40.9175-70.2173.279.300112.3L165 K167 I186 A231 L232 S237 K238 M239L165-M235 HydrophobicContact CB-CE 4.37Å; L165-M235 HydrophobicContact CB-SD 3.64Å; L165-M235 HydrophobicContact CD1-SD 4.33Å; L165-M235 HydrophobicContact CG-SD 4.42Å; K167-M235 VanDerWaalsContact C-CE 3.48Å; K167-M235 WeakPolarHBondContact O-CE 3.41Å; I186-M235 HydrophobicContact CD1-CB 4.23Å; I186-M235 HydrophobicContact CD1-CE 3.37Å; I186-M235 HydrophobicContact CD1-SD 3.89Å; A231-M235 WeakPolarHBondContact O-CG 3.23Å; A231-M235 PolarHBondContact O-N 3.37Å; L232-M235 PolarHBondContact O-N 2.97Å; M235-S237 VanDerWaalsContact C-N 3.3Å; M235-S237 PolarHBondContact O-N 2.94Å; M235-K238 PolarHBondContact O-N 3.18Å; M235-M239 WeakPolarHBondContact O-CB 3.42Å; M235-M239 VanDerWaalsContact O-CG 3.28Å; M235-M239 WeakPolarHBondContact O-CG 3.38Å; M235-M239 PolarHBondContact O-N 3.44Å
236C78Confident72.7Confident16 Ų1669.5 Ų69.511%0.10837%0.367CS..Hα-helixtrans-61.5-39.3171.4-75.30000111.4I186 W192 L232 H233 M240I186-C236 WeakPolarHBondContact CG2-SG 3.49Å; W192-C236 HydrophobicContact CH2-CB 4.1Å; L232-C236 VanDerWaalsContact O-CB 3.28Å; L232-C236 WeakPolarHBondContact O-CB 3.36Å; L232-C236 PolarHBondContact O-N 3.18Å; L232-C236 PolarHBondContact O-SG 3.05Å; H233-C236 PolarHBondContact O-N 2.78Å; C236-M240 HydrophobicContact CB-CE 4.31Å; C236-M240 VanDerWaalsContact O-CB 3.25Å; C236-M240 WeakPolarHBondContact O-CB 3.47Å; C236-M240 WeakPolarHBondContact O-CE 3.39Å; C236-M240 WeakPolarHBondContact O-CG 3.32Å; C236-M240 PolarHBondContact O-N 3.34Å
237S79.9Confident70.2Confident56 Ų5665.5 Ų65.539%0.39235%0.348SS..Hα-helixtrans-68.3-42.4175.2-170.10000111.8H233 E234 M235 M240 S241H233-S237 VanDerWaalsContact O-CB 3.26Å; H233-S237 WeakPolarHBondContact O-CB 3.5Å; H233-S237 PolarHBondContact O-N 2.86Å; E234-S237 CarbonylContact O-C 3.57Å; E234-S237 WeakPolarHBondContact O-CB 3.49Å; E234-S237 PolarHBondContact O-N 2.97Å; M235-S237 VanDerWaalsContact C-N 3.3Å; M235-S237 PolarHBondContact O-N 2.94Å; S237-M240 PolarHBondContact O-N 2.88Å; S237-S241 VanDerWaalsContact O-CB 3.27Å; S237-S241 WeakPolarHBondContact O-CB 3.42Å; S237-S241 PolarHBondContact O-N 2.87Å; S237-S241 PolarHBondContact O-OG 3.46Å
238K78.1Confident67.7Low74 Ų7466.3 Ų66.332%0.32235%0.35SS..Hα-helixtrans-63.4-48.7174.5-174.5172.3178.8172.60110.5D105 E234 M235 M240 S241 E242D105-K238 IonicContact OD1-NZ 3.96Å; D105-K238 PolarHBondContact OD1-NZ 2.99Å; D105-K238 IonicContact OD2-NZ 3.45Å; D105-K238 PolarHBondContact OD2-NZ 3.35Å; E234-K238 WeakPolarHBondContact O-CB 3.19Å; E234-K238 PolarHBondContact O-N 3.19Å; M235-K238 PolarHBondContact O-N 3.18Å; K238-M240 PolarHBondContact O-N 3.01Å; K238-S241 WeakPolarHBondContact CA-OG 3.48Å; K238-S241 PolarHBondContact O-N 3.05Å; K238-S241 PolarHBondContact O-OG 3.16Å; K238-E242 WeakPolarHBondContact CE-OE1 3.48Å; K238-E242 HydrophobicContact CG-CG 4.03Å; K238-E242 IonicContact NZ-OE1 2.57Å; K238-E242 VanDerWaalsContact O-CB 3.24Å; K238-E242 WeakPolarHBondContact O-CB 3.38Å; K238-E242 WeakPolarHBondContact O-CG 3.26Å; K238-E242 PolarHBondContact O-N 2.64Å
239M73.1Confident65.2Low43 Ų4369.7 Ų69.721%0.21237%0.374CS..Hα-helixtrans-59.3-42.8171.6-72.1-170-59.500111.8D168 I186 M235 S241 K243D168-M239 HydrophobicContact CB-SD 3.68Å; I186-M239 HydrophobicContact CB-CE 3.73Å; I186-M239 HydrophobicContact CG2-CE 3.49Å; I186-M239 VanDerWaalsContact CG2-CE 3.49Å; M235-M239 WeakPolarHBondContact O-CB 3.42Å; M235-M239 VanDerWaalsContact O-CG 3.28Å; M235-M239 WeakPolarHBondContact O-CG 3.38Å; M235-M239 PolarHBondContact O-N 3.44Å; M239-S241 VanDerWaalsContact C-N 3.35Å; M239-S241 PolarHBondContact O-N 2.83Å; M239-K243 WeakPolarHBondContact O-CA 3.15Å; M239-K243 WeakPolarHBondContact O-CB 3.36Å; M239-K243 PolarHBondContact O-N 2.81Å
240M67.9Low63Low112 Ų11274.5 Ų74.555%0.55239%0.389SS*.Hα-helixtrans-66.9-33.9177.6-77.2-174.1-7000112.8C236 S237 K238 A244C236-M240 HydrophobicContact CB-CE 4.31Å; C236-M240 VanDerWaalsContact O-CB 3.25Å; C236-M240 WeakPolarHBondContact O-CB 3.47Å; C236-M240 WeakPolarHBondContact O-CE 3.39Å; C236-M240 WeakPolarHBondContact O-CG 3.32Å; C236-M240 PolarHBondContact O-N 3.34Å; S237-M240 PolarHBondContact O-N 2.88Å; K238-M240 PolarHBondContact O-N 3.01Å; M240-A244 VanDerWaalsContact O-CB 3.27Å; M240-A244 WeakPolarHBondContact O-CB 3.5Å; M240-A244 PolarHBondContact O-N 3.33Å
241S65.4Low60.5Low62 Ų6274.6 Ų74.643%0.43439%0.389SS..Hα-helixtrans-90.3-35.2-176.858.60000114.5S237 K238 M239 A244 L245S237-S241 VanDerWaalsContact O-CB 3.27Å; S237-S241 WeakPolarHBondContact O-CB 3.42Å; S237-S241 PolarHBondContact O-N 2.87Å; S237-S241 PolarHBondContact O-OG 3.46Å; K238-S241 WeakPolarHBondContact CA-OG 3.48Å; K238-S241 PolarHBondContact O-N 3.05Å; K238-S241 PolarHBondContact O-OG 3.16Å; M239-S241 VanDerWaalsContact C-N 3.35Å; M239-S241 PolarHBondContact O-N 2.83Å; S241-A244 CarbonylContact O-C 3.57Å; S241-A244 VanDerWaalsContact O-C 3.26Å; S241-A244 VanDerWaalsContact O-CA 3.3Å; S241-A244 WeakPolarHBondContact O-CA 3.29Å; S241-A244 WeakPolarHBondContact O-CB 3.39Å; S241-A244 PolarHBondContact O-N 3.19Å; S241-L245 WeakPolarHBondContact O-CB 3.43Å; S241-L245 PolarHBondContact O-N 2.83Å
242E57.6Low57.8Low99 Ų9981.9 Ų81.946%0.46342%0.421SS..Hα-helixtrans-66-43.7165.2-72.7-178.3163.900110K238 A244 L245 M246K238-E242 WeakPolarHBondContact CE-OE1 3.48Å; K238-E242 HydrophobicContact CG-CG 4.03Å; K238-E242 IonicContact NZ-OE1 2.57Å; K238-E242 VanDerWaalsContact O-CB 3.24Å; K238-E242 WeakPolarHBondContact O-CB 3.38Å; K238-E242 WeakPolarHBondContact O-CG 3.26Å; K238-E242 PolarHBondContact O-N 2.64Å; E242-A244 PolarHBondContact O-N 2.91Å; E242-L245 PolarHBondContact O-N 2.79Å; E242-M246 WeakPolarHBondContact O-CB 3.32Å; E242-M246 PolarHBondContact O-N 3Å
243K47.4Very low55.4Low101 Ų10187.1 Ų87.144%0.43945%0.453SS..Hα-helixtrans-61.9-33.2167.4-148.2173.1178.6171.80108.5M239 L245 R247M239-K243 WeakPolarHBondContact O-CA 3.15Å; M239-K243 WeakPolarHBondContact O-CB 3.36Å; M239-K243 PolarHBondContact O-N 2.81Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-L245 PolarHBondContact O-N 3.42Å; K243-R247 HydrophobicContact CG-CG 4.03Å; K243-R247 VanDerWaalsContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CB 3.37Å; K243-R247 WeakPolarHBondContact O-CD 3.17Å; K243-R247 WeakPolarHBondContact O-CG 3.32Å; K243-R247 PolarHBondContact O-N 2.85Å
244A43.3Very low53Low45 Ų4590.9 Ų90.937%0.37247%0.473SS..Hα-helixtrans-74.6-7.7171.400000116.3M240 S241 E242 R247M240-A244 VanDerWaalsContact O-CB 3.27Å; M240-A244 WeakPolarHBondContact O-CB 3.5Å; M240-A244 PolarHBondContact O-N 3.33Å; S241-A244 CarbonylContact O-C 3.57Å; S241-A244 VanDerWaalsContact O-C 3.26Å; S241-A244 VanDerWaalsContact O-CA 3.3Å; S241-A244 WeakPolarHBondContact O-CA 3.29Å; S241-A244 WeakPolarHBondContact O-CB 3.39Å; S241-A244 PolarHBondContact O-N 3.19Å; E242-A244 PolarHBondContact O-N 2.91Å; A244-R247 CarbonylContact C-O 3.58Å
245L40.4Very low50.6Low154 Ų15493.2 Ų93.281%0.80648%0.484SS*.Hα-helixtrans-104-31.5176.3-174.161.8000112S241 E242 K243S241-L245 WeakPolarHBondContact O-CB 3.43Å; S241-L245 PolarHBondContact O-N 2.83Å; E242-L245 PolarHBondContact O-N 2.79Å; K243-L245 VanDerWaalsContact C-N 3.31Å; K243-L245 PolarHBondContact O-N 3.42Å
246M36.7Very low48.4Very low179 Ų17998.3 Ų98.388%0.88252%0.521SS*.Hα-helixtrans-90.3-18.9169.7-83.4-78167.700113.2E242E242-M246 WeakPolarHBondContact O-CB 3.32Å; E242-M246 PolarHBondContact O-N 3Å
247R34.5Very low46.3Very low63 Ų63102.6 Ų102.624%0.23854%0.542CS..THydrogen-bonded Turntrans-85.7135.7157.3-62.7154.7160.6156-8.1107.1K243 A244 S249 R250K243-R247 HydrophobicContact CG-CG 4.03Å; K243-R247 VanDerWaalsContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CA 3.29Å; K243-R247 WeakPolarHBondContact O-CB 3.37Å; K243-R247 WeakPolarHBondContact O-CD 3.17Å; K243-R247 WeakPolarHBondContact O-CG 3.32Å; K243-R247 PolarHBondContact O-N 2.85Å; A244-R247 CarbonylContact C-O 3.58Å; R247-S249 VanDerWaalsContact C-N 3.29Å; R247-S249 PolarHBondContact O-N 3.26Å; R247-R250 HydrophobicContact CB-CB 4.17Å; R247-R250 HydrophobicContact CG-CB 3.84Å; R247-R250 PolarHBondContact NE-O 2.98Å; R247-R250 VanDerWaalsContact NE-O 3.16Å; R247-R250 PolarHBondContact NH1-O 3.04Å; R247-R250 PolarHBondContact NH2-O 3.25Å
248P33.6Very low44.2Very low60 Ų60103.1 Ų103.139%0.3955%0.545SS..THydrogen-bonded Turntrans-6598.2141.526.7-25.6000107.8R250 F268 V272P248-R250 PolarHBondContact O-N 3.04Å; P248-R250 VanDerWaalsContact O-N 3.16Å; P248-F268 HydrophobicContact CB-CZ 4.04Å; P248-V272 HydrophobicContact CB-CG2 4.18Å
249S36.6Very low42.3Very low73 Ų73104.5 Ų104.551%0.5156%0.562SS.*SBendtrans39.956.4163.7-47.80000117.5R247 S251R247-S249 VanDerWaalsContact C-N 3.29Å; R247-S249 PolarHBondContact O-N 3.26Å; S249-S251 PolarHBondContact O-N 3.49Å
250R41.9Very low40.8Very low116 Ų116108.8 Ų108.844%0.43858%0.582SS.*  trans-9659.7168.8-76.4178.8162.5-168.2-5.3112.6R247 P248R247-R250 HydrophobicContact CB-CB 4.17Å; R247-R250 HydrophobicContact CG-CB 3.84Å; R247-R250 PolarHBondContact NE-O 2.98Å; R247-R250 VanDerWaalsContact NE-O 3.16Å; R247-R250 PolarHBondContact NH1-O 3.04Å; R247-R250 PolarHBondContact NH2-O 3.25Å; P248-R250 PolarHBondContact O-N 3.04Å; P248-R250 VanDerWaalsContact O-N 3.16Å
251S31.2Very low39.5Very low63 Ų63109.1 Ų109.144%0.44159%0.586SS.*  trans-165.499.8158.650.40000110.5S249 T253S249-S251 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact O-N 3.46Å
252F32.6Very low38.2Very low157 Ų157111.6 Ų111.669%0.68959%0.593SS**  trans-76.178.8164.2-76.9-89.4000109M254 L269F252-M254 PolarHBondContact O-N 3.35Å; F252-L269 HydrophobicContact CZ-CD2 4.32Å
253T35Very low37Very low109 Ų109111.6 Ų111.667%0.66960%0.602SS**  trans-67125.515539.80000107.4S251 E255S251-T253 PolarHBondContact O-N 3.46Å; T253-E255 PolarHBondContact O-N 3.28Å
254M33.7Very low36.5Very low193 Ų193117 Ų11795%0.95162%0.62SS**  trans-78.367.9-172-161.2-174.2-166.400111.4F252F252-M254 PolarHBondContact O-N 3.35Å
255E33.5Very low36.4Very low164 Ų164118.6 Ų118.677%0.76662%0.619SS**  trans-74.9142.7164.3-69.1-164.8140.600110.1T253 I257T253-E255 PolarHBondContact O-N 3.28Å; E255-I257 PolarHBondContact O-N 2.9Å
256S35.9Very low36.3Very low125 Ų125115.5 Ų115.587%0.87461%0.607SS**  trans-59.2102.5-165.6175.50000113.5S258S256-S258 PolarHBondContact O-N 3.16Å
257I34.1Very low36.3Very low107 Ų107114.4 Ų114.455%0.54960%0.599SS.*  trans-68.4118.8175.6-57.1174000109.9E255E255-I257 PolarHBondContact O-N 2.9Å
258S35.3Very low36.4Very low66 Ų66116.3 Ų116.346%0.46261%0.61SS.*  trans-72.9145.9169.2-157.90000110.2S256 E260S256-S258 PolarHBondContact O-N 3.16Å; S258-E260 WeakPolarHBondContact CB-OE2 3.35Å; S258-E260 PolarHBondContact O-N 2.76Å; S258-E260 PolarHBondContact OG-OE2 3.3Å
259P38.6Very low36.6Very low103 Ų103117.6 Ų117.667%0.66961%0.613SS**THydrogen-bonded Turntrans-62.2-9-172-2535.3000117.2
260E41.1Very low36.7Very low133 Ų133118.5 Ų118.562%0.62161%0.609SS**THydrogen-bonded Turntrans-93-23.3-165.8-6471.9-150.100115.7S258 L262S258-E260 WeakPolarHBondContact CB-OE2 3.35Å; S258-E260 PolarHBondContact O-N 2.76Å; S258-E260 PolarHBondContact OG-OE2 3.3Å; E260-L262 PolarHBondContact O-N 3.44Å
261D41.6Very low36.5Very low119 Ų119116.1 Ų116.164%0.63661%0.614SS**  trans-89.33-171.2-80.5-48.3000115.7P263D261-P263 WeakPolarHBondContact O-CD 3.33Å; D261-P263 VanDerWaalsContact O-N 3.14Å
262L36.7Very low36.9Very low114 Ų114115.2 Ų115.260%0.59761%0.606SS**Hα-helixtrans-50.7-34.7-177-126.274.5000116.8E260 R264E260-L262 PolarHBondContact O-N 3.44Å; L262-R264 PolarHBondContact O-N 3.27Å
263P34Very low37.6Very low99 Ų99113.4 Ų113.464%0.64359%0.594SS**Hα-helixtrans-69.9-31.6-172.8-23.234.8000115.6D261D261-P263 WeakPolarHBondContact O-CD 3.33Å; D261-P263 VanDerWaalsContact O-N 3.14Å
264R36.1Very low38.3Very low215 Ų215115.4 Ų115.481%0.81160%0.596SS**Hα-helixtrans-86.4-17.5-175.3-77.8-178.7168.7179.8-3.8113.9L262L262-R264 PolarHBondContact O-N 3.27Å
265Q40.7Very low39.6Very low78 Ų78111.3 Ų111.336%0.36458%0.575SS.*Hα-helixtrans-81.1-19.6-175.2-152.8164.311.600112.7L269Q265-L269 HydrophobicContact CG-CD1 4.45Å; Q265-L269 WeakPolarHBondContact O-CB 3.41Å; Q265-L269 PolarHBondContact O-N 3.42Å
266V38.7Very low41.6Very low89 Ų89106.6 Ų106.654%0.53956%0.557SS.*Hα-helixtrans-67.3-44.5-179.8-178.60000111.8F268 L269 E270V266-F268 PolarHBondContact O-N 2.83Å; V266-L269 PolarHBondContact O-N 2.99Å; V266-E270 PolarHBondContact O-N 3.41Å; V266-E270 VanDerWaalsContact O-N 3.08Å
267E36.2Very low44Very low156 Ų156103.2 Ų103.273%0.72953%0.527SS*.Hα-helixtrans-67.3-35.1-179-85.6169.4145.600113.1E270 A271E267-E270 WeakPolarHBondContact O-CB 3.49Å; E267-E270 PolarHBondContact O-N 3.31Å; E267-A271 PolarHBondContact O-N 2.96Å
268F36.3Very low46.7Very low103 Ų103104.2 Ų104.245%0.45253%0.528SS..Hα-helixtrans-74.1-36.8175.9-175-94.9000112.6P248 V266 E270 A271 V272P248-F268 HydrophobicContact CB-CZ 4.04Å; V266-F268 PolarHBondContact O-N 2.83Å; F268-E270 PolarHBondContact O-N 3.17Å; F268-A271 PolarHBondContact O-N 2.87Å; F268-V272 HydrophobicContact CD1-CG2 4.22Å; F268-V272 HydrophobicContact CE1-CG2 3.67Å; F268-V272 HydrophobicContact CE2-CG2 4.45Å; F268-V272 HydrophobicContact CZ-CG2 3.81Å; F268-V272 PolarHBondContact O-N 2.99Å; F268-V272 VanDerWaalsContact O-N 3.13Å
269L38.2Very low49.4Very low88 Ų88103.2 Ų103.246%0.46152%0.515SS..Hα-helixtrans-64.5-23.6171.7-96158.5000113F252 Q265 V266 R273F252-L269 HydrophobicContact CZ-CD2 4.32Å; Q265-L269 HydrophobicContact CG-CD1 4.45Å; Q265-L269 WeakPolarHBondContact O-CB 3.41Å; Q265-L269 PolarHBondContact O-N 3.42Å; V266-L269 PolarHBondContact O-N 2.99Å; L269-R273 VanDerWaalsContact O-CB 3.32Å; L269-R273 WeakPolarHBondContact O-CB 3.43Å; L269-R273 PolarHBondContact O-N 3.4Å
270E38.7Very low52Low92 Ų92106.4 Ų106.443%0.4352%0.521SS..Hα-helixtrans-76.6-36.6173-154.5108.5-105.800111.9V266 E267 F268 R273V266-E270 PolarHBondContact O-N 3.41Å; V266-E270 VanDerWaalsContact O-N 3.08Å; E267-E270 WeakPolarHBondContact O-CB 3.49Å; E267-E270 PolarHBondContact O-N 3.31Å; F268-E270 PolarHBondContact O-N 3.17Å; E270-R273 WeakPolarHBondContact O-CB 3.1Å; E270-R273 PolarHBondContact O-N 3.41Å; E270-R273 IonicContact OE1-NH1 3.5Å; E270-R273 PolarHBondContact OE1-NH1 2.61Å
271A39.1Very low54.6Low65 Ų65100.6 Ų100.654%0.53750%0.495SS..Hα-helixtrans-71.3-45.3178.300000113.2E267 F268 R273E267-A271 PolarHBondContact O-N 2.96Å; F268-A271 PolarHBondContact O-N 2.87Å; A271-R273 PolarHBondContact O-N 2.9Å
272V39.8Very low57.1Low44 Ų4497.7 Ų97.727%0.26748%0.477SS..G310 helixtrans-69.4-19.6176.6179.60000111.9P248 F268 Q274P248-V272 HydrophobicContact CB-CG2 4.18Å; F268-V272 HydrophobicContact CD1-CG2 4.22Å; F268-V272 HydrophobicContact CE1-CG2 3.67Å; F268-V272 HydrophobicContact CE2-CG2 4.45Å; F268-V272 HydrophobicContact CZ-CG2 3.81Å; F268-V272 PolarHBondContact O-N 2.99Å; F268-V272 VanDerWaalsContact O-N 3.13Å; V272-Q274 PolarHBondContact O-N 2.93Å
273R46.5Very low59.9Low120 Ų12093.5 Ų93.545%0.45345%0.454SS..G310 helixtrans-63.3-22179.1-130.1174.5-179.2177.45.3114.7L269 E270 A271L269-R273 VanDerWaalsContact O-CB 3.32Å; L269-R273 WeakPolarHBondContact O-CB 3.43Å; L269-R273 PolarHBondContact O-N 3.4Å; E270-R273 WeakPolarHBondContact O-CB 3.1Å; E270-R273 PolarHBondContact O-N 3.41Å; E270-R273 IonicContact OE1-NH1 3.5Å; E270-R273 PolarHBondContact OE1-NH1 2.61Å; A271-R273 PolarHBondContact O-N 2.9Å
274Q49.4Very low62.8Low151 Ų15189.2 Ų89.271%0.70643%0.425SS*.G310 helixtrans-99.41.1-169.1-64.5-177.4-0.700114V272 V276V272-Q274 PolarHBondContact O-N 2.93Å; Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.47Å
275Q60.7Low65.6Low107 Ų10779.6 Ų79.650%0.539%0.393SS..  trans-77.482.4-177.5-162.9170.44100111.6Q277Q275-Q277 PolarHBondContact O-N 3.34Å
276V75.4Confident68.2Low65 Ų6579.6 Ų79.639%0.39440%0.395SS..  trans-61.7119.9167-179.10000108.5Q274 H320Q274-V276 VanDerWaalsContact C-N 3.32Å; Q274-V276 PolarHBondContact O-N 3.47Å; V276-H320 HydrophobicContact CG1-CB 3.6Å
277Q86.3Confident70.9Confident54 Ų5477.9 Ų77.925%0.25238%0.383SS..EExtended strand (participates in β ladder)trans-83.8134.5172.8-59.3176.2134.500108Q275 F279 H320 I321Q275-Q277 PolarHBondContact O-N 3.34Å; Q277-F279 HydrophobicContact CB-CE2 3.63Å; Q277-F279 HydrophobicContact CB-CZ 4.03Å; Q277-H320 CarbonylContact O-C 3.54Å; Q277-H320 WeakPolarHBondContact O-CA 2.87Å; Q277-I321 HydrophobicContact CB-CB 4.45Å; Q277-I321 PolarHBondContact N-O 2.83Å; Q277-I321 PolarHBondContact O-N 3.11Å
278K91.4Very high73.8Confident128 Ų12875 Ų7556%0.55738%0.378SS*.EExtended strand (participates in β ladder)trans-115.4134.1-178.3-57.7-164.4172.6-163.20109.5V318 I319 H320K278-V318 HydrophobicContact CB-CG1 3.91Å; K278-V318 HydrophobicContact CD-CG1 4.42Å; K278-I319 WeakPolarHBondContact CA-O 3.39Å; K278-H320 VanDerWaalsContact CD-NE2 3.32Å; K278-H320 WeakPolarHBondContact CD-NE2 2.89Å; K278-H320 WeakPolarHBondContact CE-NE2 3.29Å; K278-H320 PolarHBondContact NZ-NE2 2.85Å
279F92.3Very high76.5Confident44 Ų4471 Ų7119%0.19336%0.362CS..EExtended strand (participates in β ladder)trans-132.6131.7174.9-54.5-89.4000109.5Q277 V318 I319 I321 I382 A386Q277-F279 HydrophobicContact CB-CE2 3.63Å; Q277-F279 HydrophobicContact CB-CZ 4.03Å; F279-V318 CarbonylContact O-C 3.4Å; F279-V318 WeakPolarHBondContact O-CA 3.3Å; F279-I319 HydrophobicContact CB-CG2 3.79Å; F279-I319 HydrophobicContact CD2-CG2 4.34Å; F279-I319 PolarHBondContact N-O 2.83Å; F279-I319 PolarHBondContact O-N 3.02Å; F279-I321 HydrophobicContact CD2-CD1 3.83Å; F279-I321 HydrophobicContact CD2-CG1 4.34Å; F279-I321 HydrophobicContact CE2-CD1 3.76Å; F279-I321 HydrophobicContact CE2-CG1 4.35Å; F279-I382 HydrophobicContact CE1-CG2 3.73Å; F279-I382 HydrophobicContact CZ-CG2 4.44Å; F279-A386 HydrophobicContact CE2-CB 3.74Å; F279-A386 HydrophobicContact CZ-CB 3.68Å
280E93.8Very high78.8Confident171 Ų17172 Ų7280%0.79938%0.376SS*.EExtended strand (participates in β ladder)trans-77.2129172.2-66.3177.4-172.900108.9V318E280-V318 HydrophobicContact CG-CG2 4.48Å
281V94.8Very high81.1Confident11 Ų1173.1 Ų73.17%0.06738%0.377CS..EExtended strand (participates in β ladder)trans-144.4160-177.5-66.10000109.9T317 I319 L328 F374 W375 I383V281-T317 PolarHBondContact N-O 2.97Å; V281-T317 PolarHBondContact O-N 3.1Å; V281-T317 PolarHBondContact O-OG1 3.09Å; V281-I319 HydrophobicContact CG1-CG2 4.12Å; V281-I319 HydrophobicContact CG2-CB 4.27Å; V281-I319 HydrophobicContact CG2-CG2 4.16Å; V281-L328 HydrophobicContact CG2-CD1 4.25Å; V281-F374 HydrophobicContact CB-CB 4.36Å; V281-F374 HydrophobicContact CG2-CD1 3.98Å; V281-W375 WeakPolarHBondContact CA-O 3.41Å; V281-W375 WeakPolarHBondContact CB-O 3.27Å; V281-I383 HydrophobicContact CG1-CD1 3.94Å
282Q95.1Very high83Confident57 Ų5770.6 Ų70.627%0.26636%0.356SS..EExtended strand (participates in β ladder)trans-101122.8164.5-44.2-175.3-79.600108.3I284 W314 E315 F374 W375Q282-I284 PolarHBondContact O-N 2.8Å; Q282-W314 HydrophobicContact CB-CB 4.04Å; Q282-W314 HydrophobicContact CB-CE3 4.33Å; Q282-E315 CarbonylContact C-O 3.59Å; Q282-E315 WeakPolarHBondContact CA-O 3.39Å; Q282-F374 CarbonylContact O-C 3.54Å; Q282-F374 WeakPolarHBondContact O-CA 3.41Å; Q282-W375 HydrophobicContact CB-CB 4.13Å; Q282-W375 PolarHBondContact N-O 2.78Å; Q282-W375 PolarHBondContact O-N 3.41Å
283Y95.5Very high85Confident27 Ų2772 Ų7211%0.10636%0.36CS..EExtended strand (participates in β ladder)trans-82.3117.1177178.4-118.7000109.3G285 N286 E315 T317 L328 L338 H372 V373 F374Y283-G285 VanDerWaalsContact CE2-O 3.27Å; Y283-G285 WeakPolarHBondContact CE2-O 3.21Å; Y283-N286 PolarHBondContact OH-ND2 3.05Å; Y283-E315 PolarHBondContact N-O 3.21Å; Y283-E315 PolarHBondContact O-N 3.46Å; Y283-T317 WeakPolarHBondContact CB-OG1 3.43Å; Y283-L328 HydrophobicContact CD1-CD2 4.06Å; Y283-L328 HydrophobicContact CD2-CD2 3.79Å; Y283-L328 HydrophobicContact CE1-CD2 4.5Å; Y283-L328 HydrophobicContact CE2-CD2 4.25Å; Y283-L328 HydrophobicContact CG-CD2 3.66Å; Y283-L338 HydrophobicContact CD1-CD2 4.26Å; Y283-L338 HydrophobicContact CE1-CD2 4.45Å; Y283-H372 HydrophobicContact CE2-CB 4.3Å; Y283-H372 PolarHBondContact OH-ND1 3.43Å; Y283-V373 WeakPolarHBondContact CD2-O 3.48Å; Y283-F374 AromaticContact CD2-CD1 3.84Å; Y283-F374 HydrophobicContact CD2-CD1 3.84Å; Y283-F374 AromaticContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CZ 4.3Å; Y283-F374 HydrophobicContact CE2-CE1 4.16Å; Y283-F374 HydrophobicContact CE2-CZ 4.46Å
284I95.1Very high86.5Confident8 Ų867.2 Ų67.24%0.04135%0.348CS..EExtended strand (participates in β ladder)trans-86.4-35.2-175.5-42.9-170.6000110.4Q282 I305 M306 W314 V373 W375Q282-I284 PolarHBondContact O-N 2.8Å; I284-I305 HydrophobicContact CB-CG2 4.19Å; I284-I305 HydrophobicContact CG2-CG2 3.66Å; I284-M306 HydrophobicContact CD1-CG 4.31Å; I284-M306 HydrophobicContact CG2-CG 4.48Å; I284-W314 HydrophobicContact CD1-CH2 4.21Å; I284-W314 HydrophobicContact CD1-CZ2 4.18Å; I284-W314 HydrophobicContact CD1-CZ3 4.44Å; I284-W314 HydrophobicContact CG1-CD2 4.25Å; I284-W314 HydrophobicContact CG2-CD2 4.36Å; I284-W314 HydrophobicContact CG2-CG 4.44Å; I284-W314 HydrophobicContact CG2-CZ2 4.24Å; I284-V373 HydrophobicContact CB-CG1 4.46Å; I284-V373 HydrophobicContact CD1-CG1 3.93Å; I284-V373 HydrophobicContact CG1-CG1 4.37Å; I284-V373 PolarHBondContact N-O 2.74Å; I284-W375 HydrophobicContact CD1-CB 4.08Å; I284-W375 HydrophobicContact CG1-CB 4.31Å
285G94.8Very high88.1Confident14 Ų1463.9 Ų63.914%0.14433%0.334CS..EExtended strand (participates in β ladder)trans149-165.3177.400000113.6Y283 V373Y283-G285 VanDerWaalsContact CE2-O 3.27Å; Y283-G285 WeakPolarHBondContact CE2-O 3.21Å; G285-V373 PolarHBondContact O-N 3.45Å
286N95Very high89.2Confident77 Ų7764.9 Ų64.941%0.41234%0.338SS..EExtended strand (participates in β ladder)trans-134.9161.917364.558.1000112.3Y283 C371Y283-N286 PolarHBondContact OH-ND2 3.05Å; N286-C371 CarbonylContact C-O 3.49Å; N286-C371 WeakPolarHBondContact CA-O 3.24Å; N286-C371 WeakPolarHBondContact CB-O 3.3Å
287L95.8Very high89.6Confident53 Ų5362.2 Ų62.228%0.27732%0.322SS..EExtended strand (participates in β ladder)trans-145.8133.7174.9-170.878.1000110V289 A301 I305 C371L287-V289 PolarHBondContact O-N 2.97Å; L287-A301 HydrophobicContact CB-CB 4.46Å; L287-A301 HydrophobicContact CD2-CB 4.02Å; L287-I305 HydrophobicContact CB-CD1 3.82Å; L287-I305 HydrophobicContact CB-CG1 3.97Å; L287-C371 PolarHBondContact N-O 3.15Å; L287-C371 PolarHBondContact O-N 3.27Å
288P95.4Very high89.7Confident95 Ų9559.7 Ų59.762%0.61731%0.31SS*.EExtended strand (participates in β ladder)trans-66.7133.217127.9-34.3000110.6F369P288-F369 CarbonylContact C-O 3.59Å; P288-F369 WeakPolarHBondContact CA-O 3.47Å
289V94.4Very high89.6Confident21 Ų2154.3 Ų54.313%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-119.8150.9-178-64.30000111.8L287 R291 V297 A301 I361 F369 C371L287-V289 PolarHBondContact O-N 2.97Å; V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.95Å; V289-V297 HydrophobicContact CB-CG1 3.7Å; V289-V297 HydrophobicContact CG1-CG1 3.98Å; V289-V297 HydrophobicContact CG2-CG1 4.17Å; V289-A301 HydrophobicContact CG1-CB 3.96Å; V289-I361 HydrophobicContact CG2-CD1 4.32Å; V289-I361 HydrophobicContact CG2-CG2 3.66Å; V289-F369 HydrophobicContact CG2-CB 3.61Å; V289-F369 PolarHBondContact N-O 3.02Å; V289-C371 HydrophobicContact CG1-CB 3.72Å; V289-C371 HydrophobicContact CG2-CB 4.35Å
290S86.7Confident89.6Confident108 Ų10861.3 Ų61.376%0.75531%0.313SS*.SBendtrans-84.4-4.1-173.156.10000114.8
291R85.8Confident89.6Confident116 Ų11653.3 Ų53.344%0.43828%0.276SS..SBendtrans-145.8145.7-175-72.9-174.5-74.2174.7-2.3110.6V289 M293 E296 V297V289-R291 VanDerWaalsContact C-N 3.34Å; V289-R291 PolarHBondContact O-N 2.95Å; R291-M293 VanDerWaalsContact C-N 3.25Å; R291-M293 PolarHBondContact O-N 3.08Å; R291-E296 IonicContact CZ-OE1 2.64Å; R291-E296 IonicContact NH1-OE1 3.59Å; R291-E296 PolarHBondContact NH1-OE1 2.65Å; R291-E296 IonicContact NH2-OE1 3.71Å; R291-E296 PolarHBondContact NH2-OE1 3.2Å; R291-V297 HydrophobicContact CB-CG2 4.05Å; R291-V297 VanDerWaalsContact CZ-CG2 3.48Å; R291-V297 VanDerWaalsContact NH2-CG2 3.28Å
292A78.4Confident89.5Confident12 Ų1253.1 Ų53.110%0.09928%0.275CS..SBendtrans-64.9-22.7178.900000114.5Y6 T347 F348 F369Y6-A292 HydrophobicContact CD1-CB 4.14Å; Y6-A292 HydrophobicContact CE1-CB 3.77Å; A292-T347 HydrophobicContact CB-CG2 4.41Å; A292-T347 CarbonylContact O-C 3.58Å; A292-T347 VanDerWaalsContact O-CB 3.31Å; A292-T347 WeakPolarHBondContact O-CB 3.42Å; A292-T347 PolarHBondContact O-OG1 3.05Å; A292-F348 WeakPolarHBondContact O-CB 3.18Å; A292-F369 HydrophobicContact CB-CD1 3.98Å; A292-F369 HydrophobicContact CB-CD2 4.46Å; A292-F369 HydrophobicContact CB-CE1 3.5Å; A292-F369 HydrophobicContact CB-CE2 4.04Å; A292-F369 HydrophobicContact CB-CG 4.43Å; A292-F369 HydrophobicContact CB-CZ 3.54Å
293M83.5Confident89.4Confident72 Ų7254.9 Ų54.936%0.35528%0.283SS..  trans-157.1161.7-167.363.3-176.3-66.800113.4A9 V13 R291 F348A9-M293 HydrophobicContact CB-CE 3.9Å; A9-M293 HydrophobicContact CB-SD 3.82Å; V13-M293 HydrophobicContact CG2-CE 3.49Å; V13-M293 VanDerWaalsContact CG2-CE 3.49Å; R291-M293 VanDerWaalsContact C-N 3.25Å; R291-M293 PolarHBondContact O-N 3.08Å; M293-F348 HydrophobicContact CB-CB 4.12Å; M293-F348 HydrophobicContact CB-CD2 3.76Å; M293-F348 HydrophobicContact CB-CE2 4.44Å; M293-F348 HydrophobicContact CB-CG 4.04Å
294G77.6Confident89.5Confident20 Ų2056.3 Ų56.321%0.20630%0.297CS..  trans118.7131.9171.700000112.8E296 V297 L298 F348G294-E296 PolarHBondContact O-N 2.75Å; G294-V297 WeakPolarHBondContact O-CB 3.37Å; G294-V297 PolarHBondContact O-N 2.81Å; G294-L298 PolarHBondContact O-N 2.94Å; G294-L298 VanDerWaalsContact O-N 3.13Å; G294-F348 VanDerWaalsContact C-CE1 3.46Å
295M82.6Confident89.5Confident82 Ų8256.1 Ų56.140%0.40430%0.296SS..Hα-helixtrans-58.3-35.2-178.6-65-58.6-70.900112.7V297 L298 N299 F348 V351M295-V297 VanDerWaalsContact C-N 3.26Å; M295-V297 PolarHBondContact O-N 3.06Å; M295-L298 HydrophobicContact CE-CD2 4.36Å; M295-L298 PolarHBondContact O-N 3.41Å; M295-N299 WeakPolarHBondContact O-CB 3.33Å; M295-N299 PolarHBondContact O-N 3.05Å; M295-F348 HydrophobicContact CG-CE1 4.33Å; M295-F348 HydrophobicContact CG-CZ 4.05Å; M295-F348 HydrophobicContact SD-CE1 3.61Å; M295-F348 HydrophobicContact SD-CZ 3.61Å; M295-V351 VanDerWaalsContact CE-O 3.22Å; M295-V351 WeakPolarHBondContact CE-O 3.34Å
296E84Confident89.3Confident127 Ų12758.4 Ų58.459%0.59330%0.304SS*.Hα-helixtrans-64.3-25.8174.960.2177.3-156.200114.1R291 G294 R300R291-E296 IonicContact CZ-OE1 2.64Å; R291-E296 IonicContact NH1-OE1 3.59Å; R291-E296 PolarHBondContact NH1-OE1 2.65Å; R291-E296 IonicContact NH2-OE1 3.71Å; R291-E296 PolarHBondContact NH2-OE1 3.2Å; G294-E296 PolarHBondContact O-N 2.75Å; E296-R300 VanDerWaalsContact O-CB 3.24Å; E296-R300 WeakPolarHBondContact O-CB 3.43Å
297V84.3Confident89.2Confident10 Ų1061.6 Ų61.66%0.06132%0.32CS..Hα-helixtrans-80.8-45175.6-1780000109.5V289 R291 G294 M295 A301 I361V289-V297 HydrophobicContact CB-CG1 3.7Å; V289-V297 HydrophobicContact CG1-CG1 3.98Å; V289-V297 HydrophobicContact CG2-CG1 4.17Å; R291-V297 HydrophobicContact CB-CG2 4.05Å; R291-V297 VanDerWaalsContact CZ-CG2 3.48Å; R291-V297 VanDerWaalsContact NH2-CG2 3.28Å; G294-V297 WeakPolarHBondContact O-CB 3.37Å; G294-V297 PolarHBondContact O-N 2.81Å; M295-V297 VanDerWaalsContact C-N 3.26Å; M295-V297 PolarHBondContact O-N 3.06Å; V297-A301 PolarHBondContact O-N 2.82Å; V297-A301 VanDerWaalsContact O-N 3.09Å; V297-I361 HydrophobicContact CG1-CD1 4.2Å
298L88.4Confident89Confident0 Ų063.3 Ų63.30%034%0.337CS..Hα-helixtrans-64.1-53.4179.9-178.2142.1000111.5G294 M295 R300 A301 I302 F348 A359 I361G294-L298 PolarHBondContact O-N 2.94Å; G294-L298 VanDerWaalsContact O-N 3.13Å; M295-L298 HydrophobicContact CE-CD2 4.36Å; M295-L298 PolarHBondContact O-N 3.41Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 2.81Å; L298-A301 WeakPolarHBondContact O-CB 3.35Å; L298-A301 PolarHBondContact O-N 3.06Å; L298-I302 HydrophobicContact CD2-CD1 3.57Å; L298-I302 HydrophobicContact CD2-CG1 4.48Å; L298-I302 HydrophobicContact CG-CD1 4.32Å; L298-I302 WeakPolarHBondContact O-CG1 3.2Å; L298-I302 PolarHBondContact O-N 3.47Å; L298-F348 HydrophobicContact CB-CD1 4.26Å; L298-F348 HydrophobicContact CB-CE1 4.19Å; L298-F348 HydrophobicContact CD1-CD1 3.72Å; L298-F348 HydrophobicContact CD1-CE1 3.94Å; L298-A359 HydrophobicContact CD1-CB 3.86Å; L298-A359 HydrophobicContact CD2-CB 4.14Å; L298-A359 HydrophobicContact CG-CB 3.8Å; L298-I361 HydrophobicContact CB-CD1 4.45Å
299N89.3Confident88.7Confident16 Ų1660.5 Ų60.59%0.08632%0.318CS..Hα-helixtrans-62.1-39.1179.4-70.6-16.2000112M295 A301 I302 E303 G352 H353M295-N299 WeakPolarHBondContact O-CB 3.33Å; M295-N299 PolarHBondContact O-N 3.05Å; N299-A301 VanDerWaalsContact C-N 3.3Å; N299-A301 PolarHBondContact O-N 3.45Å; N299-I302 PolarHBondContact O-N 2.84Å; N299-E303 WeakPolarHBondContact O-CB 3.43Å; N299-E303 VanDerWaalsContact O-CG 3.32Å; N299-E303 WeakPolarHBondContact O-CG 3.39Å; N299-E303 PolarHBondContact O-N 2.93Å; N299-G352 WeakPolarHBondContact OD1-CA 3.5Å; N299-H353 PolarHBondContact ND2-CD2 3.29Å; N299-H353 VanDerWaalsContact ND2-CD2 3.27Å; N299-H353 PolarHBondContact ND2-NE2 3.45Å
300R91.2Very high88.4Confident191 Ų19165.4 Ų65.472%0.72134%0.344SS*.Hα-helixtrans-63.5-34.8174.3-177.1176.9177.6-178.90112.7E296 L298 S304E296-R300 VanDerWaalsContact O-CB 3.24Å; E296-R300 WeakPolarHBondContact O-CB 3.43Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 2.81Å; R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.4Å; R300-S304 PolarHBondContact O-N 3.5Å
301A93.9Very high88.2Confident2 Ų267.2 Ų67.22%0.01733%0.334CS..Hα-helixtrans-70.4-44.8174.600000111.4L287 V289 V297 L298 N299 S304 I305 C371L287-A301 HydrophobicContact CB-CB 4.46Å; L287-A301 HydrophobicContact CD2-CB 4.02Å; V289-A301 HydrophobicContact CG1-CB 3.96Å; V297-A301 PolarHBondContact O-N 2.82Å; V297-A301 VanDerWaalsContact O-N 3.09Å; L298-A301 WeakPolarHBondContact O-CB 3.35Å; L298-A301 PolarHBondContact O-N 3.06Å; N299-A301 VanDerWaalsContact C-N 3.3Å; N299-A301 PolarHBondContact O-N 3.45Å; A301-S304 PolarHBondContact O-N 3.16Å; A301-I305 WeakPolarHBondContact O-CD1 3.32Å; A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 2.83Å; A301-C371 HydrophobicContact CB-CB 3.85Å
302I92.6Very high88.1Confident8 Ų869.4 Ų69.44%0.04135%0.354CS..Hα-helixtrans-55.3-55.2173.5-64.6173.2000110.4L298 N299 S304 I305 M306 T357 A359 V373L298-I302 HydrophobicContact CD2-CD1 3.57Å; L298-I302 HydrophobicContact CD2-CG1 4.48Å; L298-I302 HydrophobicContact CG-CD1 4.32Å; L298-I302 WeakPolarHBondContact O-CG1 3.2Å; L298-I302 PolarHBondContact O-N 3.47Å; N299-I302 PolarHBondContact O-N 2.84Å; I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 3.45Å; I302-I305 PolarHBondContact O-N 3.49Å; I302-M306 HydrophobicContact CG2-CG 4.19Å; I302-M306 HydrophobicContact CG2-SD 3.6Å; I302-M306 WeakPolarHBondContact O-CB 3.04Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 2.93Å; I302-T357 HydrophobicContact CG2-CG2 4.19Å; I302-A359 HydrophobicContact CD1-CB 3.85Å; I302-A359 HydrophobicContact CG1-CB 3.96Å; I302-V373 HydrophobicContact CB-CG1 4.45Å; I302-V373 HydrophobicContact CG1-CG1 3.88Å; I302-V373 HydrophobicContact CG1-CG2 3.84Å; I302-V373 HydrophobicContact CG2-CG1 4.31Å
303E94.1Very high88.5Confident93 Ų9374.1 Ų74.144%0.43538%0.378SS..Hα-helixtrans-57.4-41.2178.4-72.9170.7-168.800111.8N299 N307 H353N299-E303 WeakPolarHBondContact O-CB 3.43Å; N299-E303 VanDerWaalsContact O-CG 3.32Å; N299-E303 WeakPolarHBondContact O-CG 3.39Å; N299-E303 PolarHBondContact O-N 2.93Å; E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 2.69Å; E303-N307 VanDerWaalsContact O-N 3.11Å; E303-N307 PolarHBondContact O-ND2 3.3Å; E303-H353 IonicContact OE1-CE1 2.68Å; E303-H353 IonicContact OE1-ND1 3.44Å; E303-H353 PolarHBondContact OE1-ND1 3.41Å
304S95.8Very high89Confident58 Ų5871.3 Ų71.341%0.40636%0.363SS..Hα-helixtrans-66.6-38.7179.1-171.20000113R300 A301 I302 S308R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.4Å; R300-S304 PolarHBondContact O-N 3.5Å; A301-S304 PolarHBondContact O-N 3.16Å; I302-S304 VanDerWaalsContact C-N 3.29Å; I302-S304 PolarHBondContact O-N 3.45Å; S304-S308 PolarHBondContact O-N 3.49Å; S304-S308 PolarHBondContact O-OG 3.16Å
305I95.2Very high89.5Confident4 Ų473.7 Ų73.72%0.02137%0.369CS..Hα-helixtrans-76-44.5-179.5-64.3161.6000110.2I284 L287 A301 I302 N307 S308 T309 V373I284-I305 HydrophobicContact CB-CG2 4.19Å; I284-I305 HydrophobicContact CG2-CG2 3.66Å; L287-I305 HydrophobicContact CB-CD1 3.82Å; L287-I305 HydrophobicContact CB-CG1 3.97Å; A301-I305 WeakPolarHBondContact O-CD1 3.32Å; A301-I305 VanDerWaalsContact O-CG1 3.29Å; A301-I305 WeakPolarHBondContact O-CG1 3.43Å; A301-I305 PolarHBondContact O-N 2.83Å; I302-I305 PolarHBondContact O-N 3.49Å; I305-N307 PolarHBondContact O-N 3.39Å; I305-S308 WeakPolarHBondContact CA-OG 2.91Å; I305-S308 PolarHBondContact O-N 3.13Å; I305-S308 PolarHBondContact O-OG 3.21Å; I305-T309 PolarHBondContact O-N 2.85Å; I305-T309 PolarHBondContact O-OG1 2.91Å; I305-V373 HydrophobicContact CD1-CB 4.17Å; I305-V373 HydrophobicContact CD1-CG2 3.54Å
306M92.2Very high90Very high62 Ų6274.4 Ų74.431%0.30538%0.38SS..Hα-helixtrans-64.6-27.9178.5-68.7-175.578.600113.1I284 I302 W314 T357 W375I284-M306 HydrophobicContact CD1-CG 4.31Å; I284-M306 HydrophobicContact CG2-CG 4.48Å; I302-M306 HydrophobicContact CG2-CG 4.19Å; I302-M306 HydrophobicContact CG2-SD 3.6Å; I302-M306 WeakPolarHBondContact O-CB 3.04Å; I302-M306 WeakPolarHBondContact O-CG 3.28Å; I302-M306 PolarHBondContact O-N 2.93Å; M306-W314 HydrophobicContact CE-CH2 4.11Å; M306-W314 HydrophobicContact CE-CZ2 4.28Å; M306-T357 HydrophobicContact CE-CG2 4.23Å; M306-T357 HydrophobicContact SD-CG2 3.77Å; M306-W375 HydrophobicContact CE-CE3 4.29Å; M306-W375 HydrophobicContact CE-CZ3 3.87Å
307N92.9Very high90.5Very high143 Ų14368.6 Ų68.677%0.76535%0.353SS*.THydrogen-bonded Turntrans-83.1-10.7173.1-73.4-52.3000113.9E303 I305E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.32Å; E303-N307 VanDerWaalsContact O-CG 3.28Å; E303-N307 PolarHBondContact O-N 2.69Å; E303-N307 VanDerWaalsContact O-N 3.11Å; E303-N307 PolarHBondContact O-ND2 3.3Å; I305-N307 PolarHBondContact O-N 3.39Å
308S91Very high90.9Very high90 Ų9069.3 Ų69.363%0.62936%0.358SS*.THydrogen-bonded Turntrans-103.9-16.3178.764.40000114.6S304 I305S304-S308 PolarHBondContact O-N 3.49Å; S304-S308 PolarHBondContact O-OG 3.16Å; I305-S308 WeakPolarHBondContact CA-OG 2.91Å; I305-S308 PolarHBondContact O-N 3.13Å; I305-S308 PolarHBondContact O-OG 3.21Å
309T88.3Confident91.2Very high35 Ų3569.3 Ų69.322%0.21536%0.358CS..SBendtrans-129.2114.9-170.2-48.40000110.4I305 D313 W314I305-T309 PolarHBondContact O-N 2.85Å; I305-T309 PolarHBondContact O-OG1 2.91Å; T309-D313 HydrophobicContact CG2-CB 3.86Å; T309-W314 PolarHBondContact O-NE1 3.25Å
310D88.3Confident91.4Very high125 Ų12569.8 Ų69.867%0.66836%0.359SS*.  trans-66.8153.6176.1-77.7-53.6000111.5D312 D313 W314D310-D312 PolarHBondContact O-N 3.34Å; D310-D312 VanDerWaalsContact O-N 3.15Å; D310-D313 PolarHBondContact O-N 3.37Å; D310-W314 PolarHBondContact O-NE1 2.95Å
311R82.4Confident91.4Very high145 Ų14560.8 Ų60.855%0.54733%0.325SS..G310 helixtrans-60.6-26.5-176.1-69.6-165.472-167.23.9114.2D313 W314R311-D313 VanDerWaalsContact C-N 3.25Å; R311-D313 PolarHBondContact O-N 3.1Å; R311-W314 HydrophobicContact CB-CD2 4.45Å; R311-W314 HydrophobicContact CG-CD2 4.39Å; R311-W314 HydrophobicContact CG-CE3 4.46Å; R311-W314 HydrophobicContact CG-CH2 3.84Å; R311-W314 HydrophobicContact CG-CZ2 3.71Å; R311-W314 HydrophobicContact CG-CZ3 4.2Å; R311-W314 PolarHBondContact O-N 3.09Å
312D85Confident91Very high162 Ų16262 Ų6287%0.86633%0.334SS*.G310 helixtrans-73.2-18.5179.4-65-31.2000112.5D310D310-D312 PolarHBondContact O-N 3.34Å; D310-D312 VanDerWaalsContact O-N 3.15Å
313D86.9Confident90.3Very high111 Ų11162.9 Ų62.959%0.59434%0.339SS*.G310 helixtrans-90.6-3.8177.4-67.4-40.4000113.2T309 D310 R311 E315T309-D313 HydrophobicContact CG2-CB 3.86Å; D310-D313 PolarHBondContact O-N 3.37Å; R311-D313 VanDerWaalsContact C-N 3.25Å; R311-D313 PolarHBondContact O-N 3.1Å; D313-E315 PolarHBondContact O-N 2.82Å
314W92.3Very high89.7Confident14 Ų1465 Ų655%0.05334%0.342CS..PPolyproline II helixtrans-74.1121.5-176.7-62.63.7000111.2Q282 I284 M306 T309 D310 R311 P316 W375Q282-W314 HydrophobicContact CB-CB 4.04Å; Q282-W314 HydrophobicContact CB-CE3 4.33Å; I284-W314 HydrophobicContact CD1-CH2 4.21Å; I284-W314 HydrophobicContact CD1-CZ2 4.18Å; I284-W314 HydrophobicContact CD1-CZ3 4.44Å; I284-W314 HydrophobicContact CG1-CD2 4.25Å; I284-W314 HydrophobicContact CG2-CD2 4.36Å; I284-W314 HydrophobicContact CG2-CG 4.44Å; I284-W314 HydrophobicContact CG2-CZ2 4.24Å; M306-W314 HydrophobicContact CE-CH2 4.11Å; M306-W314 HydrophobicContact CE-CZ2 4.28Å; T309-W314 PolarHBondContact O-NE1 3.25Å; D310-W314 PolarHBondContact O-NE1 2.95Å; R311-W314 HydrophobicContact CB-CD2 4.45Å; R311-W314 HydrophobicContact CG-CD2 4.39Å; R311-W314 HydrophobicContact CG-CE3 4.46Å; R311-W314 HydrophobicContact CG-CH2 3.84Å; R311-W314 HydrophobicContact CG-CZ2 3.71Å; R311-W314 HydrophobicContact CG-CZ3 4.2Å; R311-W314 PolarHBondContact O-N 3.09Å; W314-P316 WeakPolarHBondContact O-CD 3.48Å; W314-W375 HydrophobicContact CE3-CB 3.99Å; W314-W375 HydrophobicContact CE3-CG 4.17Å; W314-W375 HydrophobicContact CH2-CD2 4.03Å; W314-W375 AromaticContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CG 4.47Å; W314-W375 HydrophobicContact CH2-CZ3 4.17Å; W314-W375 HydrophobicContact CZ3-CB 3.77Å; W314-W375 AromaticContact CZ3-CD2 3.52Å; W314-W375 HydrophobicContact CZ3-CD2 3.52Å; W314-W375 AromaticContact CZ3-CE3 3.66Å; W314-W375 HydrophobicContact CZ3-CE3 3.66Å; W314-W375 AromaticContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CZ3 4.47Å
315E89.8Confident89.4Confident69 Ų6963.7 Ų63.732%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-80.4118.4-171.8-61-144.6130.700112.3Q282 Y283 D313 T317 K330Q282-E315 CarbonylContact C-O 3.59Å; Q282-E315 WeakPolarHBondContact CA-O 3.39Å; Y283-E315 PolarHBondContact N-O 3.21Å; Y283-E315 PolarHBondContact O-N 3.46Å; D313-E315 PolarHBondContact O-N 2.82Å; E315-T317 HydrophobicContact CB-CG2 4.27Å; E315-T317 PolarHBondContact O-N 3.17Å; E315-T317 PolarHBondContact O-OG1 3.44Å; E315-K330 IonicContact OE1-NZ 3.46Å; E315-K330 PolarHBondContact OE1-NZ 3.01Å; E315-K330 IonicContact OE2-NZ 2.85Å; E315-K330 PolarHBondContact OE2-NZ 2.81Å
316P92.9Very high89.3Confident97 Ų9763.5 Ų63.563%0.6333%0.331SS*.EExtended strand (participates in β ladder)trans-66.7121173.228.1-33.4000109.7W314W314-P316 WeakPolarHBondContact O-CD 3.48Å
317T93.6Very high89.4Confident5 Ų561 Ų613%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-143.8162.9-170.7450000110.9V281 Y283 E315 L328 W329V281-T317 PolarHBondContact N-O 2.97Å; V281-T317 PolarHBondContact O-N 3.1Å; V281-T317 PolarHBondContact O-OG1 3.09Å; Y283-T317 WeakPolarHBondContact CB-OG1 3.43Å; E315-T317 HydrophobicContact CB-CG2 4.27Å; E315-T317 PolarHBondContact O-N 3.17Å; E315-T317 PolarHBondContact O-OG1 3.44Å; T317-L328 HydrophobicContact CG2-CD1 4.41Å; T317-L328 HydrophobicContact CG2-CD2 4.37Å; T317-L328 HydrophobicContact CG2-CG 4.15Å; T317-L328 WeakPolarHBondContact OG1-CD1 3.3Å; T317-W329 CarbonylContact C-O 3.54Å; T317-W329 VanDerWaalsContact CA-O 3.25Å; T317-W329 WeakPolarHBondContact CA-O 3.13Å; T317-W329 VanDerWaalsContact CB-O 3.32Å; T317-W329 WeakPolarHBondContact CB-O 3.03Å
318V93.3Very high89.4Confident26 Ų2654.2 Ų54.216%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-116.3119.8176.2-170.50000108.4K278 F279 E280 W329K278-V318 HydrophobicContact CB-CG1 3.91Å; K278-V318 HydrophobicContact CD-CG1 4.42Å; F279-V318 CarbonylContact O-C 3.4Å; F279-V318 WeakPolarHBondContact O-CA 3.3Å; E280-V318 HydrophobicContact CG-CG2 4.48Å; V318-W329 PolarHBondContact N-O 3.5Å; V318-W329 PolarHBondContact O-N 2.8Å
319I94.2Very high89.5Confident0 Ų052.5 Ų52.50%026%0.263CS..EExtended strand (participates in β ladder)trans-87.8121.7173.5-168.9175000109.8K278 F279 V281 I321 L326 S327 L328 F374 I383K278-I319 WeakPolarHBondContact CA-O 3.39Å; F279-I319 HydrophobicContact CB-CG2 3.79Å; F279-I319 HydrophobicContact CD2-CG2 4.34Å; F279-I319 PolarHBondContact N-O 2.83Å; F279-I319 PolarHBondContact O-N 3.02Å; V281-I319 HydrophobicContact CG1-CG2 4.12Å; V281-I319 HydrophobicContact CG2-CB 4.27Å; V281-I319 HydrophobicContact CG2-CG2 4.16Å; I319-I321 HydrophobicContact CG1-CG1 4.25Å; I319-L326 HydrophobicContact CD1-CD2 3.91Å; I319-L326 HydrophobicContact CD1-CG 4.11Å; I319-L326 HydrophobicContact CG1-CG 4.43Å; I319-S327 CarbonylContact C-O 3.6Å; I319-S327 WeakPolarHBondContact CA-O 3.42Å; I319-L328 HydrophobicContact CB-CD1 4.12Å; I319-F374 HydrophobicContact CD1-CE1 4.44Å; I319-F374 HydrophobicContact CD1-CZ 4.25Å; I319-I383 HydrophobicContact CD1-CD1 4.26Å; I319-I383 HydrophobicContact CG2-CD1 3.63Å; I319-I383 HydrophobicContact CG2-CG1 4.47Å
320H93.1Very high89.4Confident26 Ų2655.9 Ų55.912%0.1228%0.275CS..EExtended strand (participates in β ladder)trans-97.2115.1177-74.4178.8000109V276 Q277 K278 L326 S327 W329V276-H320 HydrophobicContact CG1-CB 3.6Å; Q277-H320 CarbonylContact O-C 3.54Å; Q277-H320 WeakPolarHBondContact O-CA 2.87Å; K278-H320 VanDerWaalsContact CD-NE2 3.32Å; K278-H320 WeakPolarHBondContact CD-NE2 2.89Å; K278-H320 WeakPolarHBondContact CE-NE2 3.29Å; K278-H320 PolarHBondContact NZ-NE2 2.85Å; H320-L326 WeakPolarHBondContact O-CA 3.18Å; H320-S327 PolarHBondContact N-O 3.08Å; H320-S327 PolarHBondContact O-N 3.36Å; H320-W329 AromaticContact CE1-CD1 3.51Å; H320-W329 AromaticContact CE1-CD2 3.91Å; H320-W329 AromaticContact CE1-CG 3.61Å; H320-W329 AromaticContact CE1-NE1 3.77Å; H320-W329 AromaticContact CG-CD1 3.44Å; H320-W329 VanDerWaalsContact CG-CD1 3.44Å; H320-W329 AromaticContact CG-NE1 3.61Å; H320-W329 AromaticContact ND1-CD1 3.1Å; H320-W329 AromaticContact ND1-CD2 3.89Å; H320-W329 AromaticContact ND1-CE2 3.53Å; H320-W329 AromaticContact ND1-CG 3.65Å; H320-W329 AromaticContact ND1-NE1 3.03Å; H320-W329 PolarHBondContact ND1-NE1 3.35Å
321I91.4Very high88.4Confident2 Ų252 Ų521%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-110.4107.8-178.8-56.9-179.7000108.5Q277 F279 I319 L326 I383 A386 V387 A390Q277-I321 HydrophobicContact CB-CB 4.45Å; Q277-I321 PolarHBondContact N-O 2.83Å; Q277-I321 PolarHBondContact O-N 3.11Å; F279-I321 HydrophobicContact CD2-CD1 3.83Å; F279-I321 HydrophobicContact CD2-CG1 4.34Å; F279-I321 HydrophobicContact CE2-CD1 3.76Å; F279-I321 HydrophobicContact CE2-CG1 4.35Å; I319-I321 HydrophobicContact CG1-CG1 4.25Å; I321-L326 HydrophobicContact CB-CD1 4.25Å; I321-L326 HydrophobicContact CG1-CD1 3.88Å; I321-L326 HydrophobicContact CG1-CG 4.34Å; I321-L326 HydrophobicContact CG2-CD1 3.93Å; I321-I383 HydrophobicContact CD1-CG1 4.11Å; I321-A386 HydrophobicContact CD1-CB 3.9Å; I321-V387 HydrophobicContact CD1-CG2 3.51Å; I321-V387 HydrophobicContact CG1-CG2 4.41Å; I321-A390 HydrophobicContact CG2-CB 4.08Å
322S86.5Confident87.3Confident28 Ų2854 Ų5420%0.19628%0.28CS..  trans-106.2177.7172.1720000111.1R324 V325 A390S322-R324 PolarHBondContact O-N 3.46Å; S322-R324 PolarHBondContact OG-N 3.47Å; S322-V325 PolarHBondContact N-O 3.2Å; S322-V325 WeakPolarHBondContact OG-CA 3.44Å; S322-V325 WeakPolarHBondContact OG-CB 3.48Å; S322-V325 PolarHBondContact OG-N 3.4Å; S322-V325 PolarHBondContact OG-O 3.4Å; S322-A390 WeakPolarHBondContact O-CB 3.34Å
323D78.1Confident86Confident26 Ų2653.9 Ų53.914%0.13928%0.28CS..SBendtrans-65.6-21175.281.6-41.8000113.3Q394 K397D323-Q394 VanDerWaalsContact O-CD 3.31Å; D323-Q394 WeakPolarHBondContact O-CG 3.36Å; D323-Q394 PolarHBondContact O-NE2 3.24Å; D323-K397 IonicContact OD2-NZ 2.71Å; D323-K397 PolarHBondContact OD2-NZ 2.8Å
324R79.8Confident84.9Confident137 Ų13750 Ų5052%0.51727%0.266SS..SBendtrans-119.3-25.6-172.2-75.5167.7-172.3-148.23.4114.6S322 Q342 V343S322-R324 PolarHBondContact O-N 3.46Å; S322-R324 PolarHBondContact OG-N 3.47Å; R324-Q342 CarbonylContact O-C 3.25Å; R324-Q342 VanDerWaalsContact O-CA 3.3Å; R324-Q342 WeakPolarHBondContact O-CA 3.34Å; R324-V343 PolarHBondContact O-N 3.1Å
325V90.3Very high83.7Confident30 Ų3057.2 Ų57.218%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-140.4133.1-164.8178.60000109.9S322 E340 C341 Q342S322-V325 PolarHBondContact N-O 3.2Å; S322-V325 WeakPolarHBondContact OG-CA 3.44Å; S322-V325 WeakPolarHBondContact OG-CB 3.48Å; S322-V325 PolarHBondContact OG-N 3.4Å; S322-V325 PolarHBondContact OG-O 3.4Å; V325-E340 HydrophobicContact CG1-CG 3.38Å; V325-C341 WeakPolarHBondContact CA-O 3.43Å; V325-Q342 HydrophobicContact CG2-CG 4.49Å
326L93Very high83.4Confident0 Ų061.8 Ų61.80%033%0.327CS..EExtended strand (participates in β ladder)trans-96.5126.9158.2-120.170.4000107.2I319 H320 I321 W339 E340 C341 V343 V387I319-L326 HydrophobicContact CD1-CD2 3.91Å; I319-L326 HydrophobicContact CD1-CG 4.11Å; I319-L326 HydrophobicContact CG1-CG 4.43Å; H320-L326 WeakPolarHBondContact O-CA 3.18Å; I321-L326 HydrophobicContact CB-CD1 4.25Å; I321-L326 HydrophobicContact CG1-CD1 3.88Å; I321-L326 HydrophobicContact CG1-CG 4.34Å; I321-L326 HydrophobicContact CG2-CD1 3.93Å; L326-W339 HydrophobicContact CB-CH2 4.35Å; L326-W339 HydrophobicContact CB-CZ3 3.99Å; L326-W339 HydrophobicContact CD2-CH2 4.32Å; L326-W339 HydrophobicContact CD2-CZ3 4.23Å; L326-E340 WeakPolarHBondContact O-CA 3.3Å; L326-C341 PolarHBondContact N-O 3.02Å; L326-C341 PolarHBondContact O-N 2.86Å; L326-C341 VanDerWaalsContact O-O 3.14Å; L326-V343 HydrophobicContact CD1-CG2 4.39Å; L326-V387 HydrophobicContact CD1-CG1 4.24Å; L326-V387 HydrophobicContact CD1-CG2 4.18Å; L326-V387 HydrophobicContact CD2-CG1 4.33Å; L326-V387 HydrophobicContact CD2-CG2 4.22Å
327S93.8Very high83.2Confident11 Ų1159.1 Ų59.18%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-137.6148.3171.349.80000112.1I319 H320 W329 W339I319-S327 CarbonylContact C-O 3.6Å; I319-S327 WeakPolarHBondContact CA-O 3.42Å; H320-S327 PolarHBondContact N-O 3.08Å; H320-S327 PolarHBondContact O-N 3.36Å; S327-W329 PolarHBondContact OG-NE1 2.79Å; S327-W339 CarbonylContact C-O 3.59Å; S327-W339 VanDerWaalsContact CA-O 3.24Å; S327-W339 WeakPolarHBondContact CA-O 3.46Å
328L94.1Very high82.9Confident0 Ų063 Ų630%033%0.329CS..EExtended strand (participates in β ladder)trans-111.5127.1-176.4-169.466.9000109.2V281 Y283 T317 I319 P337 L338 W339 F374V281-L328 HydrophobicContact CG2-CD1 4.25Å; Y283-L328 HydrophobicContact CD1-CD2 4.06Å; Y283-L328 HydrophobicContact CD2-CD2 3.79Å; Y283-L328 HydrophobicContact CE1-CD2 4.5Å; Y283-L328 HydrophobicContact CE2-CD2 4.25Å; Y283-L328 HydrophobicContact CG-CD2 3.66Å; T317-L328 HydrophobicContact CG2-CD1 4.41Å; T317-L328 HydrophobicContact CG2-CD2 4.37Å; T317-L328 HydrophobicContact CG2-CG 4.15Å; T317-L328 WeakPolarHBondContact OG1-CD1 3.3Å; I319-L328 HydrophobicContact CB-CD1 4.12Å; L328-P337 CarbonylContact O-C 3.6Å; L328-P337 WeakPolarHBondContact O-CA 3.46Å; L328-P337 WeakPolarHBondContact O-CB 3.42Å; L328-L338 HydrophobicContact CD2-CD2 3.99Å; L328-L338 PolarHBondContact O-N 2.95Å; L328-W339 HydrophobicContact CB-CB 4.16Å; L328-W339 HydrophobicContact CB-CE3 4.26Å; L328-W339 PolarHBondContact N-O 3.44Å; L328-F374 HydrophobicContact CD1-CD1 4.38Å; L328-F374 HydrophobicContact CD1-CE1 3.82Å; L328-F374 HydrophobicContact CD2-CE1 4.08Å
329W92.3Very high82.9Confident54 Ų5463.6 Ų63.621%0.20533%0.329CS..EExtended strand (participates in β ladder)trans-122146.4-172.7-63.873.3000110.7T317 V318 H320 S327 G334 P337T317-W329 CarbonylContact C-O 3.54Å; T317-W329 VanDerWaalsContact CA-O 3.25Å; T317-W329 WeakPolarHBondContact CA-O 3.13Å; T317-W329 VanDerWaalsContact CB-O 3.32Å; T317-W329 WeakPolarHBondContact CB-O 3.03Å; V318-W329 PolarHBondContact N-O 3.5Å; V318-W329 PolarHBondContact O-N 2.8Å; H320-W329 AromaticContact CE1-CD1 3.51Å; H320-W329 AromaticContact CE1-CD2 3.91Å; H320-W329 AromaticContact CE1-CG 3.61Å; H320-W329 AromaticContact CE1-NE1 3.77Å; H320-W329 AromaticContact CG-CD1 3.44Å; H320-W329 VanDerWaalsContact CG-CD1 3.44Å; H320-W329 AromaticContact CG-NE1 3.61Å; H320-W329 AromaticContact ND1-CD1 3.1Å; H320-W329 AromaticContact ND1-CD2 3.89Å; H320-W329 AromaticContact ND1-CE2 3.53Å; H320-W329 AromaticContact ND1-CG 3.65Å; H320-W329 AromaticContact ND1-NE1 3.03Å; H320-W329 PolarHBondContact ND1-NE1 3.35Å; S327-W329 PolarHBondContact OG-NE1 2.79Å; W329-G334 VanDerWaalsContact CZ3-O 3.25Å; W329-G334 WeakPolarHBondContact CZ3-O 3.42Å; W329-P337 HydrophobicContact CD2-CB 4.19Å; W329-P337 HydrophobicContact CZ2-CB 3.97Å; W329-P337 HydrophobicContact CZ2-CG 4.17Å
330K85.6Confident82.9Confident105 Ų10569 Ų6946%0.45735%0.354SS..SBendtrans-106.995.7-178.9-166.8167.4-169.2159.20109.6E315E315-K330 IonicContact OE1-NZ 3.46Å; E315-K330 PolarHBondContact OE1-NZ 3.01Å; E315-K330 IonicContact OE2-NZ 2.85Å; E315-K330 PolarHBondContact OE2-NZ 2.81Å
331G69.1Low82.8Confident44 Ų4468.3 Ų68.345%0.45435%0.352SS..SBendtrans73.2-175.2-174.500000114.1
332E59.3Low82.6Confident186 Ų18671.9 Ų71.987%0.86937%0.369SS*.SBendtrans-83.1-17.9179.9-62.1-163.3113.600113.8
333D58Low82.6Confident161 Ų16170.6 Ų70.686%0.86136%0.36SS*.SBendtrans-101.711.5-171.5-63-51.8000114.7
334G62.4Low82.7Confident29 Ų2975.2 Ų75.230%0.29938%0.375SS..  trans-79123.9178.700000112.7W329W329-G334 VanDerWaalsContact CZ3-O 3.25Å; W329-G334 WeakPolarHBondContact CZ3-O 3.42Å
335D67.8Low83Confident165 Ų16572.3 Ų72.388%0.88237%0.367SS*.SBendtrans-72.8-26.9175.2-83.5-31.9000113.3
336E82.9Confident83Confident166 Ų16670.9 Ų70.978%0.77636%0.358SS*.SBendtrans-131.9147.2-178.9-67.3-170.7160.500111.7
337P87.9Confident82.5Confident41 Ų4171 Ų7127%0.26636%0.358SS..  trans-71.6141.5175.829.5-33.8000111.9L328 W329 W339 E340L328-P337 CarbonylContact O-C 3.6Å; L328-P337 WeakPolarHBondContact O-CA 3.46Å; L328-P337 WeakPolarHBondContact O-CB 3.42Å; W329-P337 HydrophobicContact CD2-CB 4.19Å; W329-P337 HydrophobicContact CZ2-CB 3.97Å; W329-P337 HydrophobicContact CZ2-CG 4.17Å; P337-W339 PolarHBondContact O-N 2.81Å; P337-E340 HydrophobicContact CG-CB 4.25Å
338L89.1Confident82.1Confident86 Ų8670.8 Ų70.845%0.4536%0.356SS..SBendtrans-60.5-34.1172.1-165.983.6000111.7Y283 L328Y283-L338 HydrophobicContact CD1-CD2 4.26Å; Y283-L338 HydrophobicContact CE1-CD2 4.45Å; L328-L338 HydrophobicContact CD2-CD2 3.99Å; L328-L338 PolarHBondContact O-N 2.95Å
339W92.9Very high81.9Confident39 Ų3971.9 Ų71.915%0.14836%0.362CS..EExtended strand (participates in β ladder)trans-152.5141.7178.8172.786000109.8L326 S327 L328 P337 C341 V360 V362 H372L326-W339 HydrophobicContact CB-CH2 4.35Å; L326-W339 HydrophobicContact CB-CZ3 3.99Å; L326-W339 HydrophobicContact CD2-CH2 4.32Å; L326-W339 HydrophobicContact CD2-CZ3 4.23Å; S327-W339 CarbonylContact C-O 3.59Å; S327-W339 VanDerWaalsContact CA-O 3.24Å; S327-W339 WeakPolarHBondContact CA-O 3.46Å; L328-W339 HydrophobicContact CB-CB 4.16Å; L328-W339 HydrophobicContact CB-CE3 4.26Å; L328-W339 PolarHBondContact N-O 3.44Å; P337-W339 PolarHBondContact O-N 2.81Å; W339-C341 HydrophobicContact CH2-CB 3.57Å; W339-C341 HydrophobicContact CZ2-CB 3.43Å; W339-C341 VanDerWaalsContact CZ2-CB 3.43Å; W339-C341 HydrophobicContact CZ3-CB 4.26Å; W339-V360 HydrophobicContact CH2-CG2 4.23Å; W339-V362 HydrophobicContact CH2-CG1 4.36Å; W339-V362 HydrophobicContact CZ2-CG1 4Å; W339-V362 HydrophobicContact CZ2-CG2 4.24Å; W339-H372 AromaticContact CD1-CE1 3.49Å; W339-H372 VanDerWaalsContact CD1-CE1 3.49Å; W339-H372 AromaticContact CD1-NE2 3.97Å; W339-H372 AromaticContact CE2-CD2 3.83Å; W339-H372 AromaticContact CE2-CE1 3.64Å; W339-H372 AromaticContact CE2-ND1 3.96Å; W339-H372 AromaticContact CE2-NE2 3.53Å; W339-H372 AromaticContact CZ2-CD2 3.57Å; W339-H372 AromaticContact CZ2-CG 3.99Å; W339-H372 AromaticContact CZ2-NE2 3.69Å; W339-H372 AromaticContact NE1-CD2 3.88Å; W339-H372 AromaticContact NE1-CE1 3.08Å; W339-H372 PolarHBondContact NE1-CE1 2.97Å; W339-H372 AromaticContact NE1-ND1 3.8Å; W339-H372 AromaticContact NE1-NE2 3.09Å; W339-H372 PolarHBondContact NE1-NE2 2.62Å
340E93.2Very high81.5Confident112 Ų11269.6 Ų69.652%0.52336%0.355SS..EExtended strand (participates in β ladder)trans-137.2133.4174.7-176.4175.6106.500110.7V325 L326 P337V325-E340 HydrophobicContact CG1-CG 3.38Å; L326-E340 WeakPolarHBondContact O-CA 3.3Å; P337-E340 HydrophobicContact CG-CB 4.25Å
341C91.1Very high81.7Confident13 Ų1366.9 Ų66.99%0.08835%0.347CS..EExtended strand (participates in β ladder)trans-133135.3171.1-175.40000111V325 L326 W339 V362V325-C341 WeakPolarHBondContact CA-O 3.43Å; L326-C341 PolarHBondContact N-O 3.02Å; L326-C341 PolarHBondContact O-N 2.86Å; L326-C341 VanDerWaalsContact O-O 3.14Å; W339-C341 HydrophobicContact CH2-CB 3.57Å; W339-C341 HydrophobicContact CZ2-CB 3.43Å; W339-C341 VanDerWaalsContact CZ2-CB 3.43Å; W339-C341 HydrophobicContact CZ3-CB 4.26Å; C341-V362 HydrophobicContact CB-CG1 4.17Å; C341-V362 WeakPolarHBondContact SG-CG1 3.41Å
342Q87.8Confident82.3Confident76 Ų7665.4 Ų65.436%0.35533%0.332SS..EExtended strand (participates in β ladder)trans-74133.7169.6-59.91774000109.5R324 V325 R344 F345R324-Q342 CarbonylContact O-C 3.25Å; R324-Q342 VanDerWaalsContact O-CA 3.3Å; R324-Q342 WeakPolarHBondContact O-CA 3.34Å; V325-Q342 HydrophobicContact CG2-CG 4.49Å; Q342-R344 HydrophobicContact CB-CG 4Å; Q342-R344 PolarHBondContact O-N 3.34Å; Q342-R344 VanDerWaalsContact OE1-NE 3.08Å; Q342-R344 VanDerWaalsContact OE1-NH2 3.09Å; Q342-F345 HydrophobicContact CB-CD2 3.76Å; Q342-F345 HydrophobicContact CB-CE2 4.09Å; Q342-F345 HydrophobicContact CG-CD2 4.41Å; Q342-F345 HydrophobicContact CG-CE2 4.35Å; Q342-F345 WeakPolarHBondContact O-CB 3.43Å; Q342-F345 PolarHBondContact O-N 3.36Å
343V86.8Confident83.5Confident1 Ų163.7 Ų63.71%0.00632%0.324CS..G310 helixtrans-51.2-29.9-178.3168.50000112.9R324 L326 F345 L346 A390 C391 Q394R324-V343 PolarHBondContact O-N 3.1Å; L326-V343 HydrophobicContact CD1-CG2 4.39Å; V343-F345 PolarHBondContact O-N 3.27Å; V343-L346 HydrophobicContact CB-CD1 4.42Å; V343-L346 HydrophobicContact CG1-CD1 4.31Å; V343-L346 HydrophobicContact CG2-CD1 4.4Å; V343-L346 WeakPolarHBondContact O-CB 3.35Å; V343-L346 PolarHBondContact O-N 3.44Å; V343-A390 HydrophobicContact CG1-CB 4.43Å; V343-A390 HydrophobicContact CG2-CB 4.25Å; V343-C391 HydrophobicContact CG1-CB 4.38Å; V343-Q394 HydrophobicContact CB-CG 4.27Å; V343-Q394 HydrophobicContact CG1-CB 4.36Å; V343-Q394 HydrophobicContact CG1-CG 3.87Å
344R80.7Confident84.8Confident124 Ų12459 Ų5947%0.46830%0.299SS..G310 helixtrans-65.3-13.5175.174.3-178.9-172.8-168.4-6.4115.7Q342Q342-R344 HydrophobicContact CB-CG 4Å; Q342-R344 PolarHBondContact O-N 3.34Å; Q342-R344 VanDerWaalsContact OE1-NE 3.08Å; Q342-R344 VanDerWaalsContact OE1-NH2 3.09Å
345F85.8Confident86.1Confident76 Ų7660.9 Ų60.933%0.33331%0.307SS..G310 helixtrans-106-3.8178.7-60-55.5000112.3Q342 V343 T347 V362 D363Q342-F345 HydrophobicContact CB-CD2 3.76Å; Q342-F345 HydrophobicContact CB-CE2 4.09Å; Q342-F345 HydrophobicContact CG-CD2 4.41Å; Q342-F345 HydrophobicContact CG-CE2 4.35Å; Q342-F345 WeakPolarHBondContact O-CB 3.43Å; Q342-F345 PolarHBondContact O-N 3.36Å; V343-F345 PolarHBondContact O-N 3.27Å; F345-T347 PolarHBondContact O-N 2.96Å; F345-V362 CarbonylContact O-C 3.6Å; F345-V362 WeakPolarHBondContact O-CA 3.27Å; F345-D363 PolarHBondContact O-N 3.22Å
346L88.8Confident87.1Confident0 Ų055.5 Ų55.50%028%0.277CS..EExtended strand (participates in β ladder)trans-61.2132.4161.7-70.6162.7000108I10 V343 V360 V362 V387I10-L346 HydrophobicContact CD1-CB 4.03Å; I10-L346 WeakPolarHBondContact CD1-O 3.43Å; V343-L346 HydrophobicContact CB-CD1 4.42Å; V343-L346 HydrophobicContact CG1-CD1 4.31Å; V343-L346 HydrophobicContact CG2-CD1 4.4Å; V343-L346 WeakPolarHBondContact O-CB 3.35Å; V343-L346 PolarHBondContact O-N 3.44Å; L346-V360 HydrophobicContact CD2-CB 3.67Å; L346-V360 HydrophobicContact CD2-CG1 4.04Å; L346-V360 HydrophobicContact CD2-CG2 4.07Å; L346-V362 HydrophobicContact CD2-CG1 3.67Å; L346-V362 HydrophobicContact CG-CG1 4.35Å; L346-V387 HydrophobicContact CD1-CG1 3.77Å
347T82.9Confident87.5Confident1 Ų147.6 Ų47.61%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-118.4-24.8-179.353.40000112.5Y6 I10 A292 F345 I361 D363 F369Y6-T347 HydrophobicContact CD1-CG2 4.03Å; Y6-T347 HydrophobicContact CD2-CG2 4.03Å; Y6-T347 HydrophobicContact CG-CG2 3.77Å; I10-T347 WeakPolarHBondContact CG1-O 3.24Å; A292-T347 HydrophobicContact CB-CG2 4.41Å; A292-T347 CarbonylContact O-C 3.58Å; A292-T347 VanDerWaalsContact O-CB 3.31Å; A292-T347 WeakPolarHBondContact O-CB 3.42Å; A292-T347 PolarHBondContact O-OG1 3.05Å; F345-T347 PolarHBondContact O-N 2.96Å; T347-I361 PolarHBondContact N-O 3.19Å; T347-I361 PolarHBondContact OG1-O 2.9Å; T347-D363 HydrophobicContact CG2-CB 4.04Å; T347-F369 HydrophobicContact CG2-CD1 4.38Å; T347-F369 HydrophobicContact CG2-CE1 4.11Å
348F85.4Confident87.8Confident7 Ų745.7 Ų45.73%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-156.6158.5171.3-160.9-120.2000110.8V13 A292 M293 G294 M295 L298 V360 I361V13-F348 HydrophobicContact CB-CE2 4.33Å; V13-F348 HydrophobicContact CG1-CE2 3.98Å; V13-F348 HydrophobicContact CG1-CZ 4.41Å; V13-F348 HydrophobicContact CG2-CE2 4.32Å; A292-F348 WeakPolarHBondContact O-CB 3.18Å; M293-F348 HydrophobicContact CB-CB 4.12Å; M293-F348 HydrophobicContact CB-CD2 3.76Å; M293-F348 HydrophobicContact CB-CE2 4.44Å; M293-F348 HydrophobicContact CB-CG 4.04Å; G294-F348 VanDerWaalsContact C-CE1 3.46Å; M295-F348 HydrophobicContact CG-CE1 4.33Å; M295-F348 HydrophobicContact CG-CZ 4.05Å; M295-F348 HydrophobicContact SD-CE1 3.61Å; M295-F348 HydrophobicContact SD-CZ 3.61Å; L298-F348 HydrophobicContact CB-CD1 4.26Å; L298-F348 HydrophobicContact CB-CE1 4.19Å; L298-F348 HydrophobicContact CD1-CD1 3.72Å; L298-F348 HydrophobicContact CD1-CE1 3.94Å; F348-V360 WeakPolarHBondContact O-CA 3.11Å; F348-I361 HydrophobicContact CB-CB 3.97Å; F348-I361 HydrophobicContact CB-CD1 3.98Å; F348-I361 HydrophobicContact CB-CG1 4.08Å; F348-I361 HydrophobicContact CD1-CD1 4.03Å; F348-I361 HydrophobicContact CG-CD1 4.44Å; F348-I361 PolarHBondContact N-O 2.75Å; F348-I361 PolarHBondContact O-N 3.19Å
349L91.3Very high88.1Confident23 Ų2341.6 Ų41.612%0.1221%0.206CC..EExtended strand (participates in β ladder)trans-147.3153.9169.57098.8000108.9I10 F358 A359 V360 V387I10-L349 HydrophobicContact CG2-CD2 3.96Å; L349-F358 HydrophobicContact CB-CE2 4.47Å; L349-F358 HydrophobicContact CB-CZ 4.45Å; L349-F358 HydrophobicContact CD1-CE2 4.21Å; L349-A359 CarbonylContact C-O 3.53Å; L349-A359 WeakPolarHBondContact CA-O 3.28Å; L349-V360 HydrophobicContact CB-CG1 4.01Å; L349-V387 HydrophobicContact CD2-CB 4.44Å; L349-V387 HydrophobicContact CD2-CG1 3.95Å
350G83.5Confident88.2Confident7 Ų739.7 Ų39.77%0.07220%0.199CC..EExtended strand (participates in β ladder)trans-170.8158.4179.500000113.1F358 A359G350-F358 WeakPolarHBondContact O-CD2 3.26Å; G350-A359 PolarHBondContact N-O 3.33Å; G350-A359 PolarHBondContact O-N 3.23Å
351V88.8Confident88.1Confident47 Ų4734.4 Ų34.429%0.28517%0.174SC..EExtended strand (participates in β ladder)trans-90.5139.1164.8-179.60000107.5M295 T357 A380M295-V351 VanDerWaalsContact CE-O 3.22Å; M295-V351 WeakPolarHBondContact CE-O 3.34Å; V351-T357 CarbonylContact C-O 3.52Å; V351-T357 VanDerWaalsContact CA-O 3.31Å; V351-T357 WeakPolarHBondContact CA-O 3.49Å; V351-T357 WeakPolarHBondContact CG1-O 3.34Å; V351-A380 HydrophobicContact CB-CB 4.45Å; V351-A380 HydrophobicContact CG1-CB 3.99Å; V351-A380 HydrophobicContact CG2-CB 3.78Å
352G82.8Confident88.2Confident13 Ų1334 Ų3413%0.13417%0.171CC..  trans-73.9-167.9179.900000113.5N299 D354 T357N299-G352 WeakPolarHBondContact OD1-CA 3.5Å; G352-D354 PolarHBondContact O-N 2.74Å; G352-T357 VanDerWaalsContact CA-OG1 3.25Å; G352-T357 WeakPolarHBondContact CA-OG1 3.19Å; G352-T357 PolarHBondContact N-O 2.87Å; G352-T357 PolarHBondContact N-OG1 3.18Å
353H83.6Confident88.2Confident150 Ų15031.8 Ų31.869%0.69416%0.162SC*.SBendtrans-64.2-25.6171.4-64.7151.3000112.6N299 E303N299-H353 PolarHBondContact ND2-CD2 3.29Å; N299-H353 VanDerWaalsContact ND2-CD2 3.27Å; N299-H353 PolarHBondContact ND2-NE2 3.45Å; E303-H353 IonicContact OE1-CE1 2.68Å; E303-H353 IonicContact OE1-ND1 3.44Å; E303-H353 PolarHBondContact OE1-ND1 3.41Å
354D85.4Confident88.2Confident64 Ų6434.7 Ų34.734%0.34219%0.186SC..SBendtrans-96.7129.5170.7-171.2-35.4000109.3G352 H356 T357G352-D354 PolarHBondContact O-N 2.74Å; D354-H356 PolarHBondContact O-N 3.25Å; D354-H356 VanDerWaalsContact O-N 3.13Å; D354-H356 IonicContact OD1-CE1 3.32Å; D354-H356 IonicContact OD1-CG 3.2Å; D354-H356 PolarHBondContact OD1-N 3.21Å; D354-H356 IonicContact OD1-ND1 2.65Å; D354-H356 PolarHBondContact OD1-ND1 3.26Å; D354-T357 HydrophobicContact CB-CG2 4.04Å; D354-T357 PolarHBondContact O-N 2.8Å; D354-T357 PolarHBondContact O-OG1 3.38Å
355S88.8Confident88.1Confident68 Ų6830 Ų3048%0.47618%0.176SC..THydrogen-bonded Turntrans-60.2-20.4-179.552.50000114.3A380S355-A380 VanDerWaalsContact O-CB 3.22Å; S355-A380 WeakPolarHBondContact O-CB 3.34Å; S355-A380 PolarHBondContact O-N 2.81Å
356H89.9Confident87.8Confident51 Ų5132.5 Ų32.524%0.23620%0.198CC..THydrogen-bonded Turntrans-83.5-12.9176.4-50.581.9000112.4D354 W375 C376 P378D354-H356 PolarHBondContact O-N 3.25Å; D354-H356 VanDerWaalsContact O-N 3.13Å; D354-H356 IonicContact OD1-CE1 3.32Å; D354-H356 IonicContact OD1-CG 3.2Å; D354-H356 PolarHBondContact OD1-N 3.21Å; D354-H356 IonicContact OD1-ND1 2.65Å; D354-H356 PolarHBondContact OD1-ND1 3.26Å; H356-W375 HydrophobicContact CB-CD2 3.86Å; H356-W375 HydrophobicContact CB-CE3 4.07Å; H356-W375 HydrophobicContact CB-CH2 3.64Å; H356-W375 HydrophobicContact CB-CZ2 3.41Å; H356-W375 VanDerWaalsContact CB-CZ2 3.41Å; H356-W375 HydrophobicContact CB-CZ3 3.97Å; H356-W375 AromaticContact CG-CZ2 3.6Å; H356-W375 CarbonylContact O-C 3.49Å; H356-W375 WeakPolarHBondContact O-CA 3.45Å; H356-C376 WeakPolarHBondContact CB-O 3.44Å; H356-C376 PolarHBondContact O-N 3.3Å; H356-P378 PolarHBondContact CD2-O 3.4Å; H356-P378 PolarHBondContact NE2-O 2.72Å
357T90.2Very high87.2Confident1 Ų137.2 Ų37.21%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-92118.2-177.459.20000111.7I302 M306 V351 G352 D354 W375I302-T357 HydrophobicContact CG2-CG2 4.19Å; M306-T357 HydrophobicContact CE-CG2 4.23Å; M306-T357 HydrophobicContact SD-CG2 3.77Å; V351-T357 CarbonylContact C-O 3.52Å; V351-T357 VanDerWaalsContact CA-O 3.31Å; V351-T357 WeakPolarHBondContact CA-O 3.49Å; V351-T357 WeakPolarHBondContact CG1-O 3.34Å; G352-T357 VanDerWaalsContact CA-OG1 3.25Å; G352-T357 WeakPolarHBondContact CA-OG1 3.19Å; G352-T357 PolarHBondContact N-O 2.87Å; G352-T357 PolarHBondContact N-OG1 3.18Å; D354-T357 HydrophobicContact CB-CG2 4.04Å; D354-T357 PolarHBondContact O-N 2.8Å; D354-T357 PolarHBondContact O-OG1 3.38Å; T357-W375 HydrophobicContact CG2-CE3 3.84Å; T357-W375 HydrophobicContact CG2-CZ3 3.8Å
358F95Very high87.4Confident0 Ų043.3 Ų43.30%025%0.248CC..EExtended strand (participates in β ladder)trans-112.3139.2173.4-177.6-119.4000110.4L349 G350 V360 V373 F374 A380 I383 V387L349-F358 HydrophobicContact CB-CE2 4.47Å; L349-F358 HydrophobicContact CB-CZ 4.45Å; L349-F358 HydrophobicContact CD1-CE2 4.21Å; G350-F358 WeakPolarHBondContact O-CD2 3.26Å; F358-V360 HydrophobicContact CE1-CG1 3.67Å; F358-V360 HydrophobicContact CZ-CG1 3.6Å; F358-V373 WeakPolarHBondContact O-CA 3.48Å; F358-F374 HydrophobicContact CB-CB 4.44Å; F358-F374 AromaticContact CD1-CD2 3.87Å; F358-F374 HydrophobicContact CD1-CD2 3.87Å; F358-F374 PolarHBondContact N-O 3.48Å; F358-F374 PolarHBondContact O-N 3.08Å; F358-A380 HydrophobicContact CB-CB 3.79Å; F358-I383 HydrophobicContact CB-CG2 4.3Å; F358-I383 HydrophobicContact CD1-CD1 3.57Å; F358-I383 HydrophobicContact CD1-CG1 3.91Å; F358-I383 HydrophobicContact CD1-CG2 4.29Å; F358-I383 HydrophobicContact CD2-CG2 4.5Å; F358-I383 HydrophobicContact CE1-CD1 3.93Å; F358-I383 HydrophobicContact CE1-CG1 3.91Å; F358-I383 HydrophobicContact CG-CD1 4.37Å; F358-I383 HydrophobicContact CG-CG2 4.1Å; F358-V387 HydrophobicContact CE1-CG2 3.87Å; F358-V387 HydrophobicContact CZ-CB 4.13Å; F358-V387 HydrophobicContact CZ-CG2 3.69Å
359A94.6Very high87.8Confident0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-142.3149.8176.300000113.4L298 I302 L349 G350 H372 V373L298-A359 HydrophobicContact CD1-CB 3.86Å; L298-A359 HydrophobicContact CD2-CB 4.14Å; L298-A359 HydrophobicContact CG-CB 3.8Å; I302-A359 HydrophobicContact CD1-CB 3.85Å; I302-A359 HydrophobicContact CG1-CB 3.96Å; L349-A359 CarbonylContact C-O 3.53Å; L349-A359 WeakPolarHBondContact CA-O 3.28Å; G350-A359 PolarHBondContact N-O 3.33Å; G350-A359 PolarHBondContact O-N 3.23Å; A359-H372 VanDerWaalsContact CA-O 3.22Å; A359-H372 WeakPolarHBondContact CA-O 3.25Å; A359-V373 HydrophobicContact CB-CG2 3.99Å
360V95Very high88Confident0 Ų045.7 Ų45.70%026%0.259CS..EExtended strand (participates in β ladder)trans-129.5144174.1-59.60000110.4W339 L346 F348 L349 F358 V362 C371 H372 F374W339-V360 HydrophobicContact CH2-CG2 4.23Å; L346-V360 HydrophobicContact CD2-CB 3.67Å; L346-V360 HydrophobicContact CD2-CG1 4.04Å; L346-V360 HydrophobicContact CD2-CG2 4.07Å; F348-V360 WeakPolarHBondContact O-CA 3.11Å; L349-V360 HydrophobicContact CB-CG1 4.01Å; F358-V360 HydrophobicContact CE1-CG1 3.67Å; F358-V360 HydrophobicContact CZ-CG1 3.6Å; V360-V362 HydrophobicContact CG2-CG1 4.49Å; V360-C371 CarbonylContact O-C 3.23Å; V360-C371 VanDerWaalsContact O-CA 3.27Å; V360-C371 WeakPolarHBondContact O-CA 3.37Å; V360-H372 HydrophobicContact CG2-CB 4.08Å; V360-H372 PolarHBondContact N-O 3.29Å; V360-H372 PolarHBondContact O-N 3.16Å; V360-F374 HydrophobicContact CG2-CE2 4.23Å
361I91.7Very high88.6Confident0 Ų045.4 Ų45.40%026%0.255CS..EExtended strand (participates in β ladder)trans-109.6125.2171.9-52-179.7000108.5V289 V297 L298 T347 F348 F369 E370 C371V289-I361 HydrophobicContact CG2-CD1 4.32Å; V289-I361 HydrophobicContact CG2-CG2 3.66Å; V297-I361 HydrophobicContact CG1-CD1 4.2Å; L298-I361 HydrophobicContact CB-CD1 4.45Å; T347-I361 PolarHBondContact N-O 3.19Å; T347-I361 PolarHBondContact OG1-O 2.9Å; F348-I361 HydrophobicContact CB-CB 3.97Å; F348-I361 HydrophobicContact CB-CD1 3.98Å; F348-I361 HydrophobicContact CB-CG1 4.08Å; F348-I361 HydrophobicContact CD1-CD1 4.03Å; F348-I361 HydrophobicContact CG-CD1 4.44Å; F348-I361 PolarHBondContact N-O 2.75Å; F348-I361 PolarHBondContact O-N 3.19Å; I361-F369 HydrophobicContact CG2-CB 3.89Å; I361-E370 WeakPolarHBondContact CA-O 3.27Å; I361-C371 HydrophobicContact CG1-CB 4.19Å
362V93.7Very high89Confident4 Ų443.2 Ų43.22%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-117.6144.3-179.6-64.20000111.6W339 C341 F345 L346 V360 A364 F369 E370W339-V362 HydrophobicContact CH2-CG1 4.36Å; W339-V362 HydrophobicContact CZ2-CG1 4Å; W339-V362 HydrophobicContact CZ2-CG2 4.24Å; C341-V362 HydrophobicContact CB-CG1 4.17Å; C341-V362 WeakPolarHBondContact SG-CG1 3.41Å; F345-V362 CarbonylContact O-C 3.6Å; F345-V362 WeakPolarHBondContact O-CA 3.27Å; L346-V362 HydrophobicContact CD2-CG1 3.67Å; L346-V362 HydrophobicContact CG-CG1 4.35Å; V360-V362 HydrophobicContact CG2-CG1 4.49Å; V362-A364 PolarHBondContact O-N 3.27Å; V362-F369 CarbonylContact O-C 3.6Å; V362-F369 VanDerWaalsContact O-CA 3.27Å; V362-F369 WeakPolarHBondContact O-CA 3.37Å; V362-E370 HydrophobicContact CG2-CB 4.2Å; V362-E370 WeakPolarHBondContact CG2-O 2.87Å; V362-E370 PolarHBondContact N-O 3Å; V362-E370 PolarHBondContact O-N 2.8Å
363D88.7Confident89.7Confident30 Ų3042.6 Ų42.616%0.1624%0.236CC..EExtended strand (participates in β ladder)trans-80.999.9165.5-178.215.8000108.6F345 T347 G365 Q367 F369F345-D363 PolarHBondContact O-N 3.22Å; T347-D363 HydrophobicContact CG2-CB 4.04Å; D363-G365 PolarHBondContact O-N 3.19Å; D363-G365 VanDerWaalsContact OD1-C 3.27Å; D363-G365 VanDerWaalsContact OD1-CA 3.28Å; D363-G365 WeakPolarHBondContact OD1-CA 3.43Å; D363-G365 PolarHBondContact OD1-N 3.26Å; D363-Q367 PolarHBondContact OD1-N 2.95Å; D363-F369 HydrophobicContact CB-CD1 4.13Å; D363-F369 HydrophobicContact CB-CE1 3.96Å
364A85.4Confident90.3Very high63 Ų6335.5 Ų35.552%0.52120%0.203SC..EExtended strand (participates in β ladder)trans-67.6-13.417300000112.1V362 Q368 E370V362-A364 PolarHBondContact O-N 3.27Å; A364-Q368 PolarHBondContact N-O 3.35Å; A364-E370 HydrophobicContact CB-CG 4.28Å
365G79.4Confident90.8Very high25 Ų2533.6 Ų33.626%0.25819%0.191SC..EExtended strand (participates in β ladder)trans135.6148.3172.900000111.8D363 Q367 Q368D363-G365 PolarHBondContact O-N 3.19Å; D363-G365 VanDerWaalsContact OD1-C 3.27Å; D363-G365 VanDerWaalsContact OD1-CA 3.28Å; D363-G365 WeakPolarHBondContact OD1-CA 3.43Å; D363-G365 PolarHBondContact OD1-N 3.26Å; G365-Q367 PolarHBondContact O-N 2.72Å; G365-Q368 VanDerWaalsContact O-CB 3.27Å; G365-Q368 WeakPolarHBondContact O-CB 3.26Å; G365-Q368 WeakPolarHBondContact O-CG 3.44Å; G365-Q368 PolarHBondContact O-N 2.86Å
366T79.4Confident91Very high128 Ų12830.5 Ų30.579%0.78517%0.169SC*.THydrogen-bonded Turntrans5630.1176.159.10000115.2Q368T366-Q368 VanDerWaalsContact C-N 3.31Å
367Q76.5Confident90.9Very high99 Ų9934.1 Ų34.146%0.46319%0.186SC..THydrogen-bonded Turntrans69.426.8-175.1-49.5-100.5-23.500113.1Y6 D363 G365 F369Y6-Q367 PolarHBondContact OH-NE2 3.19Å; Y6-Q367 PolarHBondContact OH-OE1 3Å; D363-Q367 PolarHBondContact OD1-N 2.95Å; G365-Q367 PolarHBondContact O-N 2.72Å; Q367-F369 HydrophobicContact CB-CE2 4.01Å; Q367-F369 HydrophobicContact CB-CZ 3.99Å; Q367-F369 WeakPolarHBondContact O-CD2 3.45Å; Q367-F369 WeakPolarHBondContact O-CE2 3.2Å
368Q86.7Confident90.7Very high129 Ų12938.5 Ų38.560%0.60322%0.215SC*.EExtended strand (participates in β ladder)trans-91111.2166.1-63.2-176.4-31.900107.5A364 G365 T366A364-Q368 PolarHBondContact N-O 3.35Å; G365-Q368 VanDerWaalsContact O-CB 3.27Å; G365-Q368 WeakPolarHBondContact O-CB 3.26Å; G365-Q368 WeakPolarHBondContact O-CG 3.44Å; G365-Q368 PolarHBondContact O-N 2.86Å; T366-Q368 VanDerWaalsContact C-N 3.31Å
369F93.6Very high90.5Very high12 Ų1241.8 Ų41.85%0.05323%0.232CC..EExtended strand (participates in β ladder)trans-102.1132.8-176-55.8-69.3000110.6P288 V289 A292 T347 I361 V362 D363 Q367P288-F369 CarbonylContact C-O 3.59Å; P288-F369 WeakPolarHBondContact CA-O 3.47Å; V289-F369 HydrophobicContact CG2-CB 3.61Å; V289-F369 PolarHBondContact N-O 3.02Å; A292-F369 HydrophobicContact CB-CD1 3.98Å; A292-F369 HydrophobicContact CB-CD2 4.46Å; A292-F369 HydrophobicContact CB-CE1 3.5Å; A292-F369 HydrophobicContact CB-CE2 4.04Å; A292-F369 HydrophobicContact CB-CG 4.43Å; A292-F369 HydrophobicContact CB-CZ 3.54Å; T347-F369 HydrophobicContact CG2-CD1 4.38Å; T347-F369 HydrophobicContact CG2-CE1 4.11Å; I361-F369 HydrophobicContact CG2-CB 3.89Å; V362-F369 CarbonylContact O-C 3.6Å; V362-F369 VanDerWaalsContact O-CA 3.27Å; V362-F369 WeakPolarHBondContact O-CA 3.37Å; D363-F369 HydrophobicContact CB-CD1 4.13Å; D363-F369 HydrophobicContact CB-CE1 3.96Å; Q367-F369 HydrophobicContact CB-CE2 4.01Å; Q367-F369 HydrophobicContact CB-CZ 3.99Å; Q367-F369 WeakPolarHBondContact O-CD2 3.45Å; Q367-F369 WeakPolarHBondContact O-CE2 3.2Å
370E95.7Very high90.1Very high69 Ų6941.8 Ų41.832%0.32223%0.232SC..EExtended strand (participates in β ladder)trans-120.2130.4176-64.8-173.8144.100109.3I361 V362 A364I361-E370 WeakPolarHBondContact CA-O 3.27Å; V362-E370 HydrophobicContact CG2-CB 4.2Å; V362-E370 WeakPolarHBondContact CG2-O 2.87Å; V362-E370 PolarHBondContact N-O 3Å; V362-E370 PolarHBondContact O-N 2.8Å; A364-E370 HydrophobicContact CB-CG 4.28Å
371C96.1Very high89.2Confident0 Ų043.3 Ų43.30%025%0.248CC..EExtended strand (participates in β ladder)trans-98.4121.5174.4-172.70000109N286 L287 V289 A301 V360 I361N286-C371 CarbonylContact C-O 3.49Å; N286-C371 WeakPolarHBondContact CA-O 3.24Å; N286-C371 WeakPolarHBondContact CB-O 3.3Å; L287-C371 PolarHBondContact N-O 3.15Å; L287-C371 PolarHBondContact O-N 3.27Å; V289-C371 HydrophobicContact CG1-CB 3.72Å; V289-C371 HydrophobicContact CG2-CB 4.35Å; A301-C371 HydrophobicContact CB-CB 3.85Å; V360-C371 CarbonylContact O-C 3.23Å; V360-C371 VanDerWaalsContact O-CA 3.27Å; V360-C371 WeakPolarHBondContact O-CA 3.37Å; I361-C371 HydrophobicContact CG1-CB 4.19Å
372H96.9Very high88.6Confident2 Ų248.3 Ų48.31%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-103.8136.1174.5-64.3-93.1000109.4Y283 W339 A359 V360 F374Y283-H372 HydrophobicContact CE2-CB 4.3Å; Y283-H372 PolarHBondContact OH-ND1 3.43Å; W339-H372 AromaticContact CD1-CE1 3.49Å; W339-H372 VanDerWaalsContact CD1-CE1 3.49Å; W339-H372 AromaticContact CD1-NE2 3.97Å; W339-H372 AromaticContact CE2-CD2 3.83Å; W339-H372 AromaticContact CE2-CE1 3.64Å; W339-H372 AromaticContact CE2-ND1 3.96Å; W339-H372 AromaticContact CE2-NE2 3.53Å; W339-H372 AromaticContact CZ2-CD2 3.57Å; W339-H372 AromaticContact CZ2-CG 3.99Å; W339-H372 AromaticContact CZ2-NE2 3.69Å; W339-H372 AromaticContact NE1-CD2 3.88Å; W339-H372 AromaticContact NE1-CE1 3.08Å; W339-H372 PolarHBondContact NE1-CE1 2.97Å; W339-H372 AromaticContact NE1-ND1 3.8Å; W339-H372 AromaticContact NE1-NE2 3.09Å; W339-H372 PolarHBondContact NE1-NE2 2.62Å; A359-H372 VanDerWaalsContact CA-O 3.22Å; A359-H372 WeakPolarHBondContact CA-O 3.25Å; V360-H372 HydrophobicContact CG2-CB 4.08Å; V360-H372 PolarHBondContact N-O 3.29Å; V360-H372 PolarHBondContact O-N 3.16Å; H372-F374 HydrophobicContact CB-CE2 3.93Å; H372-F374 HydrophobicContact CB-CZ 3.95Å
373V96.7Very high88.2Confident0 Ų048.4 Ų48.40%027%0.274CS..EExtended strand (participates in β ladder)trans-125.3136.1-173.5-174.30000111.3Y283 I284 G285 I302 I305 F358 A359Y283-V373 WeakPolarHBondContact CD2-O 3.48Å; I284-V373 HydrophobicContact CB-CG1 4.46Å; I284-V373 HydrophobicContact CD1-CG1 3.93Å; I284-V373 HydrophobicContact CG1-CG1 4.37Å; I284-V373 PolarHBondContact N-O 2.74Å; G285-V373 PolarHBondContact O-N 3.45Å; I302-V373 HydrophobicContact CB-CG1 4.45Å; I302-V373 HydrophobicContact CG1-CG1 3.88Å; I302-V373 HydrophobicContact CG1-CG2 3.84Å; I302-V373 HydrophobicContact CG2-CG1 4.31Å; I305-V373 HydrophobicContact CD1-CB 4.17Å; I305-V373 HydrophobicContact CD1-CG2 3.54Å; F358-V373 WeakPolarHBondContact O-CA 3.48Å; A359-V373 HydrophobicContact CB-CG2 3.99Å
374F96.3Very high88Confident0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans-129.7143.5-175.2-49.2-88.7000110V281 Q282 Y283 I319 L328 F358 V360 H372V281-F374 HydrophobicContact CB-CB 4.36Å; V281-F374 HydrophobicContact CG2-CD1 3.98Å; Q282-F374 CarbonylContact O-C 3.54Å; Q282-F374 WeakPolarHBondContact O-CA 3.41Å; Y283-F374 AromaticContact CD2-CD1 3.84Å; Y283-F374 HydrophobicContact CD2-CD1 3.84Å; Y283-F374 AromaticContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CE1 3.58Å; Y283-F374 HydrophobicContact CD2-CZ 4.3Å; Y283-F374 HydrophobicContact CE2-CE1 4.16Å; Y283-F374 HydrophobicContact CE2-CZ 4.46Å; I319-F374 HydrophobicContact CD1-CE1 4.44Å; I319-F374 HydrophobicContact CD1-CZ 4.25Å; L328-F374 HydrophobicContact CD1-CD1 4.38Å; L328-F374 HydrophobicContact CD1-CE1 3.82Å; L328-F374 HydrophobicContact CD2-CE1 4.08Å; F358-F374 HydrophobicContact CB-CB 4.44Å; F358-F374 AromaticContact CD1-CD2 3.87Å; F358-F374 HydrophobicContact CD1-CD2 3.87Å; F358-F374 PolarHBondContact N-O 3.48Å; F358-F374 PolarHBondContact O-N 3.08Å; V360-F374 HydrophobicContact CG2-CE2 4.23Å; H372-F374 HydrophobicContact CB-CE2 3.93Å; H372-F374 HydrophobicContact CB-CZ 3.95Å
375W96Very high87.8Confident24 Ų2451.7 Ų51.79%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-96.2135.6164.1-170.4-91.7000109.4V281 Q282 I284 M306 W314 H356 T357 E377V281-W375 WeakPolarHBondContact CA-O 3.41Å; V281-W375 WeakPolarHBondContact CB-O 3.27Å; Q282-W375 HydrophobicContact CB-CB 4.13Å; Q282-W375 PolarHBondContact N-O 2.78Å; Q282-W375 PolarHBondContact O-N 3.41Å; I284-W375 HydrophobicContact CD1-CB 4.08Å; I284-W375 HydrophobicContact CG1-CB 4.31Å; M306-W375 HydrophobicContact CE-CE3 4.29Å; M306-W375 HydrophobicContact CE-CZ3 3.87Å; W314-W375 HydrophobicContact CE3-CB 3.99Å; W314-W375 HydrophobicContact CE3-CG 4.17Å; W314-W375 HydrophobicContact CH2-CD2 4.03Å; W314-W375 AromaticContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CE3 3.66Å; W314-W375 HydrophobicContact CH2-CG 4.47Å; W314-W375 HydrophobicContact CH2-CZ3 4.17Å; W314-W375 HydrophobicContact CZ3-CB 3.77Å; W314-W375 AromaticContact CZ3-CD2 3.52Å; W314-W375 HydrophobicContact CZ3-CD2 3.52Å; W314-W375 AromaticContact CZ3-CE3 3.66Å; W314-W375 HydrophobicContact CZ3-CE3 3.66Å; W314-W375 AromaticContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CG 3.57Å; W314-W375 HydrophobicContact CZ3-CZ3 4.47Å; H356-W375 HydrophobicContact CB-CD2 3.86Å; H356-W375 HydrophobicContact CB-CE3 4.07Å; H356-W375 HydrophobicContact CB-CH2 3.64Å; H356-W375 HydrophobicContact CB-CZ2 3.41Å; H356-W375 VanDerWaalsContact CB-CZ2 3.41Å; H356-W375 HydrophobicContact CB-CZ3 3.97Å; H356-W375 AromaticContact CG-CZ2 3.6Å; H356-W375 CarbonylContact O-C 3.49Å; H356-W375 WeakPolarHBondContact O-CA 3.45Å; T357-W375 HydrophobicContact CG2-CE3 3.84Å; T357-W375 HydrophobicContact CG2-CZ3 3.8Å; W375-E377 PolarHBondContact NE1-OE1 3.33Å
376C92.6Very high87.9Confident4 Ų450.9 Ų50.93%0.02727%0.271CS..  trans-130.5133.1-172.1-57.10000110.5H356 A380 I383H356-C376 WeakPolarHBondContact CB-O 3.44Å; H356-C376 PolarHBondContact O-N 3.3Å; C376-A380 HydrophobicContact CB-CB 4.37Å; C376-I383 HydrophobicContact CB-CG2 4.39Å
377E88.9Confident88.1Confident126 Ų12644.8 Ų44.859%0.58923%0.234SC*.SBendtrans-115.9132.3178.3-68-71.9164.100109.1W375W375-E377 PolarHBondContact NE1-OE1 3.33Å
378P86.7Confident88.2Confident94 Ų9443.6 Ų43.661%0.6123%0.228SC*.SBendcis-79-15.5-2.234.4-36.9000113.9H356H356-P378 PolarHBondContact CD2-O 3.4Å; H356-P378 PolarHBondContact NE2-O 2.72Å
379D89.6Confident87.7Confident68 Ų6839.4 Ų39.436%0.36422%0.215SC..  trans-161.3170.2176.364.168.8000111.9G381D379-G381 VanDerWaalsContact C-N 3.31Å; D379-G381 PolarHBondContact O-N 3.05Å; D379-G381 VanDerWaalsContact OD1-CA 3.3Å; D379-G381 WeakPolarHBondContact OD1-CA 3.29Å; D379-G381 PolarHBondContact OD1-N 3.13Å
380A85.6Confident87.1Confident0 Ų039 Ų390%022%0.215CC..SBendtrans-81.30179.300000114.6V351 S355 F358 C376 I383 S384V351-A380 HydrophobicContact CB-CB 4.45Å; V351-A380 HydrophobicContact CG1-CB 3.99Å; V351-A380 HydrophobicContact CG2-CB 3.78Å; S355-A380 VanDerWaalsContact O-CB 3.22Å; S355-A380 WeakPolarHBondContact O-CB 3.34Å; S355-A380 PolarHBondContact O-N 2.81Å; F358-A380 HydrophobicContact CB-CB 3.79Å; C376-A380 HydrophobicContact CB-CB 4.37Å; A380-I383 HydrophobicContact CB-CG2 4.28Å; A380-I383 WeakPolarHBondContact O-CG2 3.29Å; A380-S384 VanDerWaalsContact O-CB 3.28Å; A380-S384 WeakPolarHBondContact O-CB 3.37Å; A380-S384 PolarHBondContact O-N 3.25Å; A380-S384 PolarHBondContact O-OG 2.89Å; A380-S384 VanDerWaalsContact O-OG 3.14Å
381G77.1Confident86.2Confident32 Ų3235.9 Ų35.933%0.3320%0.2SC..Hα-helixtrans-61.6-56.2-174.100000112.5D379 I383 S384 E385D379-G381 VanDerWaalsContact C-N 3.31Å; D379-G381 PolarHBondContact O-N 3.05Å; D379-G381 VanDerWaalsContact OD1-CA 3.3Å; D379-G381 WeakPolarHBondContact OD1-CA 3.29Å; D379-G381 PolarHBondContact OD1-N 3.13Å; G381-I383 PolarHBondContact O-N 2.91Å; G381-S384 PolarHBondContact O-N 2.98Å; G381-S384 PolarHBondContact O-OG 2.85Å; G381-E385 PolarHBondContact O-N 3.06Å
382I79.5Confident85.1Confident106 Ų10639.4 Ų39.454%0.54422%0.218SC..Hα-helixtrans-63.5-41.7-174.7-52.8178.5000111.6F279 A386F279-I382 HydrophobicContact CE1-CG2 3.73Å; F279-I382 HydrophobicContact CZ-CG2 4.44Å; I382-A386 WeakPolarHBondContact O-CB 3.32Å; I382-A386 PolarHBondContact O-N 2.85Å
383I85.5Confident83.7Confident6 Ų643 Ų433%0.03124%0.236CC..Hα-helixtrans-66.8-42.1177.4-178.9175.1000111.5V281 I319 I321 F358 C376 A380 G381 E385 A386 V387V281-I383 HydrophobicContact CG1-CD1 3.94Å; I319-I383 HydrophobicContact CD1-CD1 4.26Å; I319-I383 HydrophobicContact CG2-CD1 3.63Å; I319-I383 HydrophobicContact CG2-CG1 4.47Å; I321-I383 HydrophobicContact CD1-CG1 4.11Å; F358-I383 HydrophobicContact CB-CG2 4.3Å; F358-I383 HydrophobicContact CD1-CD1 3.57Å; F358-I383 HydrophobicContact CD1-CG1 3.91Å; F358-I383 HydrophobicContact CD1-CG2 4.29Å; F358-I383 HydrophobicContact CD2-CG2 4.5Å; F358-I383 HydrophobicContact CE1-CD1 3.93Å; F358-I383 HydrophobicContact CE1-CG1 3.91Å; F358-I383 HydrophobicContact CG-CD1 4.37Å; F358-I383 HydrophobicContact CG-CG2 4.1Å; C376-I383 HydrophobicContact CB-CG2 4.39Å; A380-I383 HydrophobicContact CB-CG2 4.28Å; A380-I383 WeakPolarHBondContact O-CG2 3.29Å; G381-I383 PolarHBondContact O-N 2.91Å; I383-E385 PolarHBondContact O-N 3.16Å; I383-A386 WeakPolarHBondContact O-CB 3.3Å; I383-A386 PolarHBondContact O-N 3.26Å; I383-A386 VanDerWaalsContact O-N 3.17Å; I383-V387 HydrophobicContact CG1-CG2 4.46Å; I383-V387 WeakPolarHBondContact O-CG2 3.48Å; I383-V387 PolarHBondContact O-N 2.84Å
384S83.9Confident82.2Confident22 Ų2244.4 Ų44.415%0.15424%0.243CC..Hα-helixtrans-63.5-41.9177.871.20000112.2A380 G381 A386 V387 Q388A380-S384 VanDerWaalsContact O-CB 3.28Å; A380-S384 WeakPolarHBondContact O-CB 3.37Å; A380-S384 PolarHBondContact O-N 3.25Å; A380-S384 PolarHBondContact O-OG 2.89Å; A380-S384 VanDerWaalsContact O-OG 3.14Å; G381-S384 PolarHBondContact O-N 2.98Å; G381-S384 PolarHBondContact O-OG 2.85Å; S384-A386 VanDerWaalsContact C-N 3.33Å; S384-A386 PolarHBondContact O-N 2.88Å; S384-V387 PolarHBondContact O-N 3Å; S384-Q388 VanDerWaalsContact O-CB 3.28Å; S384-Q388 WeakPolarHBondContact O-CB 3.47Å; S384-Q388 PolarHBondContact O-N 2.87Å
385E80.3Confident80.6Confident140 Ų14047.4 Ų47.465%0.65426%0.255SS*.Hα-helixtrans-59.8-42.6172.3-170-171.9162.200111.2G381 I383 Q388 A389G381-E385 PolarHBondContact O-N 3.06Å; I383-E385 PolarHBondContact O-N 3.16Å; E385-Q388 PolarHBondContact O-N 3.33Å; E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.38Å; E385-A389 PolarHBondContact O-N 3.34Å
386A82.4Confident78.8Confident8 Ų851.3 Ų51.37%0.06627%0.274CS..Hα-helixtrans-64.6-43.3179.600000113.1F279 I321 I382 I383 S384 A390F279-A386 HydrophobicContact CE2-CB 3.74Å; F279-A386 HydrophobicContact CZ-CB 3.68Å; I321-A386 HydrophobicContact CD1-CB 3.9Å; I382-A386 WeakPolarHBondContact O-CB 3.32Å; I382-A386 PolarHBondContact O-N 2.85Å; I383-A386 WeakPolarHBondContact O-CB 3.3Å; I383-A386 PolarHBondContact O-N 3.26Å; I383-A386 VanDerWaalsContact O-N 3.17Å; S384-A386 VanDerWaalsContact C-N 3.33Å; S384-A386 PolarHBondContact O-N 2.88Å; A386-A390 PolarHBondContact O-N 3.11Å; A386-A390 VanDerWaalsContact O-N 3.16Å
387V84.6Confident77.2Confident0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-67.4-42.7175.5-176.20000110.7I321 L326 L346 L349 F358 I383 S384 A389 A390 C391I321-V387 HydrophobicContact CD1-CG2 3.51Å; I321-V387 HydrophobicContact CG1-CG2 4.41Å; L326-V387 HydrophobicContact CD1-CG1 4.24Å; L326-V387 HydrophobicContact CD1-CG2 4.18Å; L326-V387 HydrophobicContact CD2-CG1 4.33Å; L326-V387 HydrophobicContact CD2-CG2 4.22Å; L346-V387 HydrophobicContact CD1-CG1 3.77Å; L349-V387 HydrophobicContact CD2-CB 4.44Å; L349-V387 HydrophobicContact CD2-CG1 3.95Å; F358-V387 HydrophobicContact CE1-CG2 3.87Å; F358-V387 HydrophobicContact CZ-CB 4.13Å; F358-V387 HydrophobicContact CZ-CG2 3.69Å; I383-V387 HydrophobicContact CG1-CG2 4.46Å; I383-V387 WeakPolarHBondContact O-CG2 3.48Å; I383-V387 PolarHBondContact O-N 2.84Å; S384-V387 PolarHBondContact O-N 3Å; V387-A389 PolarHBondContact O-N 2.92Å; V387-A390 WeakPolarHBondContact O-CB 3.36Å; V387-A390 PolarHBondContact O-N 3.21Å; V387-C391 PolarHBondContact O-N 2.83Å; V387-C391 PolarHBondContact O-SG 2.97Å
388Q78.2Confident75.7Confident73 Ų7351.1 Ų51.134%0.34128%0.276SS..Hα-helixtrans-59.9-45.9176.8180176-19.900111.5S384 E385 A390 C391 M392S384-Q388 VanDerWaalsContact O-CB 3.28Å; S384-Q388 WeakPolarHBondContact O-CB 3.47Å; S384-Q388 PolarHBondContact O-N 2.87Å; E385-Q388 PolarHBondContact O-N 3.33Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 2.88Å; Q388-C391 WeakPolarHBondContact O-CB 3.49Å; Q388-C391 PolarHBondContact O-N 2.57Å; Q388-M392 HydrophobicContact CG-SD 4.27Å; Q388-M392 WeakPolarHBondContact O-CG 3.4Å; Q388-M392 PolarHBondContact O-N 3.49Å
389A75.3Confident74Confident41 Ų4150.4 Ų50.434%0.33927%0.267SS..Hα-helixtrans-60.9-39.2176.800000112.5E385 V387 M392 L393E385-A389 VanDerWaalsContact O-CB 3.3Å; E385-A389 WeakPolarHBondContact O-CB 3.38Å; E385-A389 PolarHBondContact O-N 3.34Å; V387-A389 PolarHBondContact O-N 2.92Å; A389-M392 PolarHBondContact O-N 3.05Å; A389-L393 VanDerWaalsContact O-CG 3.32Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 3.49Å
390A81.1Confident72Confident5 Ų552 Ų524%0.04128%0.279CS..Hα-helixtrans-62.2-43.9174.100000112I321 S322 V343 A386 V387 Q388 L393 Q394I321-A390 HydrophobicContact CG2-CB 4.08Å; S322-A390 WeakPolarHBondContact O-CB 3.34Å; V343-A390 HydrophobicContact CG1-CB 4.43Å; V343-A390 HydrophobicContact CG2-CB 4.25Å; A386-A390 PolarHBondContact O-N 3.11Å; A386-A390 VanDerWaalsContact O-N 3.16Å; V387-A390 WeakPolarHBondContact O-CB 3.36Å; V387-A390 PolarHBondContact O-N 3.21Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 2.88Å; A390-L393 PolarHBondContact O-N 3Å; A390-Q394 PolarHBondContact O-N 2.83Å; A390-Q394 VanDerWaalsContact O-N 3.16Å
391C76.9Confident70.2Confident3 Ų356.2 Ų56.22%0.0231%0.314CS..Hα-helixtrans-60.7-47.4175.7-62.50000111.9V343 V387 Q388 L393 Q394 Y395V343-C391 HydrophobicContact CG1-CB 4.38Å; V387-C391 PolarHBondContact O-N 2.83Å; V387-C391 PolarHBondContact O-SG 2.97Å; Q388-C391 WeakPolarHBondContact O-CB 3.49Å; Q388-C391 PolarHBondContact O-N 2.57Å; C391-L393 VanDerWaalsContact C-N 3.33Å; C391-L393 PolarHBondContact O-N 2.7Å; C391-Q394 PolarHBondContact O-N 3.08Å; C391-Y395 PolarHBondContact O-N 2.87Å
392M72.1Confident68.6Low73 Ų7359.8 Ų59.836%0.3632%0.322SS..Hα-helixtrans-60.3-40.2178.2-69.1178.876.800112.4Q388 A389 Q394 Y395 Q396Q388-M392 HydrophobicContact CG-SD 4.27Å; Q388-M392 WeakPolarHBondContact O-CG 3.4Å; Q388-M392 PolarHBondContact O-N 3.49Å; A389-M392 PolarHBondContact O-N 3.05Å; M392-Q394 PolarHBondContact O-N 2.91Å; M392-Y395 PolarHBondContact O-N 3.37Å; M392-Q396 WeakPolarHBondContact O-CG 3.4Å; M392-Q396 PolarHBondContact O-N 3.45Å
393L68.4Low66.3Low77 Ų7759.3 Ų59.340%0.40332%0.324SS..Hα-helixtrans-66.4-33.6177-73.7170.8000112.9A389 A390 C391 K397A389-L393 VanDerWaalsContact O-CG 3.32Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 3.49Å; A390-L393 PolarHBondContact O-N 3Å; C391-L393 VanDerWaalsContact C-N 3.33Å; C391-L393 PolarHBondContact O-N 2.7Å; L393-K397 VanDerWaalsContact O-CD 3.32Å; L393-K397 WeakPolarHBondContact O-CD 3.44Å; L393-K397 VanDerWaalsContact O-CG 3.26Å; L393-K397 WeakPolarHBondContact O-CG 3.45Å; L393-K397 PolarHBondContact O-N 2.81Å
394Q66.2Low64Low30 Ų3064.5 Ų64.514%0.1436%0.358CS..Hα-helixtrans-70.3-43172.4-75.8-59.7-40.500112M7 D323 V343 A390 C391 M392 Q396 K397 C398M7-Q394 HydrophobicContact SD-CB 3.8Å; D323-Q394 VanDerWaalsContact O-CD 3.31Å; D323-Q394 WeakPolarHBondContact O-CG 3.36Å; D323-Q394 PolarHBondContact O-NE2 3.24Å; V343-Q394 HydrophobicContact CB-CG 4.27Å; V343-Q394 HydrophobicContact CG1-CB 4.36Å; V343-Q394 HydrophobicContact CG1-CG 3.87Å; A390-Q394 PolarHBondContact O-N 2.83Å; A390-Q394 VanDerWaalsContact O-N 3.16Å; C391-Q394 PolarHBondContact O-N 3.08Å; M392-Q394 PolarHBondContact O-N 2.91Å; Q394-Q396 PolarHBondContact O-N 3.47Å; Q394-K397 PolarHBondContact O-N 3.48Å; Q394-C398 PolarHBondContact O-N 2.88Å
395Y62.6Low61.9Low63 Ų6368.8 Ų68.825%0.24739%0.385CS..Hα-helixtrans-57.2-48.2175.4178.7-110.6000111.7M7 L8 I11 C391 M392 K397 C398 L399M7-Y395 HydrophobicContact CB-CD2 4.39Å; M7-Y395 HydrophobicContact CE-CD2 4.5Å; L8-Y395 HydrophobicContact CD2-CE2 3.88Å; L8-Y395 HydrophobicContact CG-CE2 4.01Å; I11-Y395 HydrophobicContact CD1-CD1 3.52Å; I11-Y395 HydrophobicContact CD1-CD2 4.13Å; I11-Y395 HydrophobicContact CD1-CE1 4.05Å; I11-Y395 HydrophobicContact CD1-CG 3.56Å; C391-Y395 PolarHBondContact O-N 2.87Å; M392-Y395 PolarHBondContact O-N 3.37Å; Y395-K397 PolarHBondContact O-N 3.32Å; Y395-C398 WeakPolarHBondContact O-CB 3.35Å; Y395-C398 PolarHBondContact O-N 2.95Å; Y395-L399 HydrophobicContact CD1-CD1 4.06Å; Y395-L399 HydrophobicContact CE1-CD1 3.51Å; Y395-L399 HydrophobicContact CE1-CG 4.2Å; Y395-L399 HydrophobicContact CE2-CD2 4.4Å; Y395-L399 HydrophobicContact CE2-CG 4.37Å; Y395-L399 PolarHBondContact O-N 2.81Å
396Q57.2Low60Low107 Ų10767.7 Ų67.750%0.539%0.391SS..Hα-helixtrans-58.5-43.2175.2-72.8176.9-4.400112.8M392 Q394 C398 L399 V400M392-Q396 WeakPolarHBondContact O-CG 3.4Å; M392-Q396 PolarHBondContact O-N 3.45Å; Q394-Q396 PolarHBondContact O-N 3.47Å; Q396-C398 VanDerWaalsContact C-N 3.34Å; Q396-C398 PolarHBondContact O-N 2.86Å; Q396-L399 PolarHBondContact O-N 2.79Å; Q396-V400 WeakPolarHBondContact O-CG2 3.39Å; Q396-V400 PolarHBondContact O-N 3.47Å
397K58.7Low58.2Low77 Ų7778.6 Ų78.634%0.33543%0.43SS..Hα-helixtrans-62.3-40.5176-74.3162.2-169.4155.90112D323 L393 Q394 Y395 A401D323-K397 IonicContact OD2-NZ 2.71Å; D323-K397 PolarHBondContact OD2-NZ 2.8Å; L393-K397 VanDerWaalsContact O-CD 3.32Å; L393-K397 WeakPolarHBondContact O-CD 3.44Å; L393-K397 VanDerWaalsContact O-CG 3.26Å; L393-K397 WeakPolarHBondContact O-CG 3.45Å; L393-K397 PolarHBondContact O-N 2.81Å; Q394-K397 PolarHBondContact O-N 3.48Å; Y395-K397 PolarHBondContact O-N 3.32Å; K397-A401 VanDerWaalsContact O-CB 3.29Å; K397-A401 WeakPolarHBondContact O-CB 3.41Å; K397-A401 PolarHBondContact O-N 3.06Å
398C57.3Low55.8Low48 Ų4884.7 Ų84.732%0.32447%0.468SS..Hα-helixtrans-63.8-38.3173.8-74.80000112.4Q394 Y395 Q396 Q402Q394-C398 PolarHBondContact O-N 2.88Å; Y395-C398 WeakPolarHBondContact O-CB 3.35Å; Y395-C398 PolarHBondContact O-N 2.95Å; Q396-C398 VanDerWaalsContact C-N 3.34Å; Q396-C398 PolarHBondContact O-N 2.86Å; C398-Q402 WeakPolarHBondContact O-CG 3.44Å; C398-Q402 PolarHBondContact O-NE2 2.63Å
399L50.9Low54Low80 Ų8090.4 Ų90.442%0.41949%0.491SS..Hα-helixtrans-65.8-50.3175.3-69.8178.2000112Y395 Q396 A401 Q402Y395-L399 HydrophobicContact CD1-CD1 4.06Å; Y395-L399 HydrophobicContact CE1-CD1 3.51Å; Y395-L399 HydrophobicContact CE1-CG 4.2Å; Y395-L399 HydrophobicContact CE2-CD2 4.4Å; Y395-L399 HydrophobicContact CE2-CG 4.37Å; Y395-L399 PolarHBondContact O-N 2.81Å; Q396-L399 PolarHBondContact O-N 2.79Å; L399-A401 PolarHBondContact O-N 3.02Å; L399-Q402 PolarHBondContact O-N 2.95Å
400V48Very low52Low101 Ų10193.1 Ų93.161%0.61251%0.508SS*.Hα-helixtrans-61.7-43.4-1781740000111.2Q396 Q402 T403Q396-V400 WeakPolarHBondContact O-CG2 3.39Å; Q396-V400 PolarHBondContact O-N 3.47Å; V400-Q402 PolarHBondContact O-N 2.83Å; V400-Q402 VanDerWaalsContact O-N 3.08Å; V400-T403 PolarHBondContact O-N 3.46Å; V400-T403 PolarHBondContact O-OG1 2.83Å
401A48.2Very low49.7Very low89 Ų89104.8 Ų104.874%0.73655%0.551SS**THydrogen-bonded Turntrans-64.2-12.3177.400000114.5K397 L399K397-A401 VanDerWaalsContact O-CB 3.29Å; K397-A401 WeakPolarHBondContact O-CB 3.41Å; K397-A401 PolarHBondContact O-N 3.06Å; L399-A401 PolarHBondContact O-N 3.02Å
402Q43.2Very low47.7Very low106 Ų106115 Ų11550%0.49559%0.589SS.*THydrogen-bonded Turntrans-96.7-5.1176-72.3174.490.600113.5C398 L399 V400 P404C398-Q402 WeakPolarHBondContact O-CG 3.44Å; C398-Q402 PolarHBondContact O-NE2 2.63Å; L399-Q402 PolarHBondContact O-N 2.95Å; V400-Q402 PolarHBondContact O-N 2.83Å; V400-Q402 VanDerWaalsContact O-N 3.08Å; Q402-P404 WeakPolarHBondContact O-CD 3.38Å
403T31.2Very low45.9Very low97 Ų97116.1 Ų116.160%0.59561%0.61SS**SBendtrans-72.6125.5172.757.10000110.5V400V400-T403 PolarHBondContact O-N 3.46Å; V400-T403 PolarHBondContact O-OG1 2.83Å
404P36.4Very low44.1Very low114 Ų114117.9 Ų117.974%0.7462%0.624SS**PPolyproline II helixtrans-63.7137.9175.2-19.731.9000110.1Q402Q402-P404 WeakPolarHBondContact O-CD 3.38Å
405P41.3Very low42.6Very low112 Ų112122.5 Ų122.573%0.72766%0.657SS**PPolyproline II helixtrans-59136.2176.524.1-33.3000109.8R407P405-R407 PolarHBondContact O-N 3.31Å; P405-R407 VanDerWaalsContact O-N 3.13Å
406P40.7Very low41.1Very low117 Ų117124.8 Ų124.876%0.7668%0.682SS**PPolyproline II helixtrans-60.3122-177.423.5-32.9000109.6T408P406-T408 PolarHBondContact O-N 2.79Å
407R43.8Very low40Very low237 Ų237129.3 Ų129.389%0.89470%0.7SS**  trans-65.996.7177.3-65.6-178.579.9161.86108.7P405 K409P405-R407 PolarHBondContact O-N 3.31Å; P405-R407 VanDerWaalsContact O-N 3.13Å; R407-K409 PolarHBondContact O-N 3.24Å
408T35.1Very low38.8Very low129 Ų129131.8 Ų131.879%0.79172%0.721SS**  trans-58.6109.1175.944.70000109.3P406 S410P406-T408 PolarHBondContact O-N 2.79Å; T408-S410 PolarHBondContact O-N 3.38Å
409K40Very low37.5Very low193 Ų193139.5 Ų139.584%0.83975%0.749SS**  trans-71.880.2172.5-70.9-179.1-178.4173.20108.3R407 W411R407-K409 PolarHBondContact O-N 3.24Å; K409-W411 PolarHBondContact O-N 3.28Å
410S32.7Very low36.5Very low98 Ų98146.1 Ų146.169%0.68577%0.769SS**  trans-58.7110.6172.1-177.90000109T408 R412T408-S410 PolarHBondContact O-N 3.38Å; S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.48Å
411W32.7Very low35.6Very low250 Ų250145 Ų14595%0.94777%0.77SS**  trans-67.691.7167.9-83.550000108.7K409K409-W411 PolarHBondContact O-N 3.28Å
412R35Very low34.6Very low216 Ų216148.3 Ų148.382%0.81578%0.775SS**  trans-98.8101.3154.1-121.4-164.9-93.4-99.77.4108.4S410 T414S410-R412 VanDerWaalsContact C-N 3.31Å; S410-R412 PolarHBondContact O-N 3.48Å; R412-T414 PolarHBondContact O-N 3.06Å
413A33.5Very low33.9Very low98 Ų98148.3 Ų148.381%0.8179%0.787SS**  trans-63.8119.2169.400000109.5
414T32.4Very low33.9Very low113 Ų113150.8 Ų150.869%0.69379%0.793SS**  trans-124.2125.8161.551.90000108R412 S416R412-T414 PolarHBondContact O-N 3.06Å; T414-S416 PolarHBondContact O-N 3.28Å
415P33.8Very low33.7Very low127 Ų127152.4 Ų152.483%0.82580%0.796SS**  trans-83.189.5-172.731.9-34.1000110.9K417P415-K417 PolarHBondContact O-N 3.5Å; P415-K417 VanDerWaalsContact O-N 3.08Å
416S30.2Very low33Very low111 Ų111150.1 Ų150.178%0.77679%0.793SS**  trans-71.798.5168.148.20000110.2T414 V418T414-S416 PolarHBondContact O-N 3.28Å; S416-V418 PolarHBondContact O-N 3.22Å
417K34.1Very low32.4Very low203 Ų203152.9 Ų152.988%0.88380%0.799SS**  trans-57.7122174.4-77.7-179.5176175.30110.6P415 K419P415-K417 PolarHBondContact O-N 3.5Å; P415-K417 VanDerWaalsContact O-N 3.08Å; K417-K419 PolarHBondContact O-N 3.08Å
418V34.2Very low31.7Very low128 Ų128146.1 Ų146.178%0.77679%0.794SS**  trans-65.1129.2168178.30000109.5S416S416-V418 PolarHBondContact O-N 3.22Å
419K30.3Very low31.3Very low211 Ų211149.8 Ų149.892%0.91780%0.8SS**  trans-133.3135.9152-160.5171.7-177.3-177.20109.9K417K417-K419 PolarHBondContact O-N 3.08Å
420R30.5Very low31.8Very low219 Ų219146 Ų14683%0.82680%0.795SS**  trans-108.7135.2-163.2-176.6-169.5-70.1152.5-5.6110.6
421A28.5Very low32.4Very low77 Ų77146 Ų14664%0.63679%0.792SS**  trans60.8138.1151.800000122.6
422N27.5Very low32.2Very low159 Ų159141.9 Ų141.985%0.8579%0.788SS**  trans58124.6143.1-561.4000120.9
423S29Very low32Very low105 Ų105137.7 Ų137.773%0.73479%0.787SS**  169.914190.2-159.60000114
424M30.2Very low31.7Very low149 Ų149137 Ų13773%0.73478%0.775SS**  trans31.8136.1152.1-75.6161.465.700124.4
425D31.3Very low31.7Very low148 Ų148139.6 Ų139.679%0.79178%0.779SS**  trans53.9147.3139.2-47.5-28.1000120.9
426G27.3Very low31.5Very low64 Ų64140.8 Ų140.866%0.6677%0.774SS**  cis169.9159.6-400000111.5
427I29.2Very low31.5Very low175 Ų175144.1 Ų144.190%0.89778%0.777SS**  trans51.4113.6157.7-47.6176.2000119.5
428A27.5Very low31.3Very low96 Ų96138 Ų13879%0.79377%0.771SS**  172.3144123.400000114.3
429F27.2Very low31.1Very low206 Ų206139.5 Ų139.590%0.90478%0.775SS**  trans-107.1-174.3172.1-85.5-84.9000110.1
430P51.4Low31.1Very low113 Ų113133.8 Ų133.873%0.73476%0.762SS**  cis-118.9-111.3-21.922.92.4000109.4
431P44.8Very low31.2Very low97 Ų97128.1 Ų128.163%0.6376%0.756SS**  cis-131.6154.5-45.934.5-16.3000117.5
432L28.4Very low31.4Very low164 Ų164129.3 Ų129.386%0.85976%0.759SS**  trans66.8145.5151-64.3159000117.9
433T30.1Very low31.6Very low129 Ų129126.6 Ų126.679%0.79175%0.753SS**  cis-141.9164.928.645.40000116.2
434S27.9Very low31.8Very low82 Ų82127.3 Ų127.357%0.57375%0.753SS**  trans-36.3151.2169.355.20000123.1
435H31.7Very low31.8Very low168 Ų168125.7 Ų125.778%0.77875%0.751SS**  -167.1168.5104.2-101.2-61.9000114.4
436H30.7Very low31.8Very low153 Ų153126.1 Ų126.171%0.70875%0.753SS**  trans-75.5178.2-172.8-47-60.7000113.4
437H30.8Very low32Very low180 Ų180128.7 Ų128.783%0.83376%0.755SS**  cis-159.1156.717-121.7-49.6000109.7
438G27.9Very low32.4Very low75 Ų75126.4 Ų126.477%0.77375%0.752SS**  trans170.5109.4167.100000116.1
439N30.1Very low32.6Very low159 Ų159129.6 Ų129.685%0.8575%0.752SS**  trans-55.2159.7168.1-87.311.4000113.1
440S30.7Very low33.4Very low91 Ų91125.1 Ų125.164%0.63674%0.744SS**  cis-172.7158.8-1.842.60000110.8
441S33Very low32.3Very low101 Ų101129.5 Ų129.571%0.70675%0.752SS**  trans51.5127.9144.757.70000120.5
442S32.9Very low31.4Very low101 Ų101128.6 Ų128.671%0.70676%0.76SS**  cis-166.4159.96.7-67.90000111.2
443S32.1Very low31.3Very low102 Ų102126.3 Ų126.371%0.71376%0.758SS**  trans53.3134.5138.466.50000121
444T31.7Very low31.2Very low120 Ų120124.7 Ų124.774%0.73675%0.752SS**  cis-169.9150.62.72.20000110.5
445T31Very low31.2Very low115 Ų115126.1 Ų126.171%0.70676%0.761SS**  trans18.1147.7138.955.30000121.6
446L31.7Very low31.1Very low158 Ų158123.7 Ų123.783%0.82776%0.763SS**  cis-164.4163.316.3-117.8157.8000110.7
447V31.2Very low31Very low117 Ų117124.2 Ų124.271%0.70977%0.772SS**  trans-102.4152.8170.3-168.10000108.6
448P38.3Very low31Very low127 Ų127122.7 Ų122.783%0.82577%0.774SS**  -142.5141.4111.428.9-10.7000115.2
449M31.9Very low31.3Very low163 Ų163130.5 Ų130.580%0.80378%0.78SS**  trans-84.7159.9160-88.5-89.9175.100109.8
450P43.6Very low31.4Very low113 Ų113133.1 Ų133.173%0.73478%0.784SS**  -146.4137102.634.5-17.6000117.2
451K28.2Very low31.2Very low205 Ų205132.4 Ų132.489%0.89179%0.791SS**  trans42.8123.7136.5-62.9-179.8175.9178.70121.2
452G25.6Very low31Very low77 Ų77136.5 Ų136.579%0.79480%0.801SS**  trans176.2106151.100000115.9
453S26.3Very low30.9Very low117 Ų117140.9 Ų140.982%0.81881%0.813SS**  trans-18145.9156.9-156.70000117
454S27.3Very low30.8Very low95 Ų95140 Ų14066%0.66481%0.812SS**  cis-172.7161.98.225.50000112.7
455S28.1Very low30.7Very low111 Ų111144.3 Ų144.378%0.77682%0.821SS**  trans84.2146.7149.778.30000121.8
456S30.8Very low30.8Very low117 Ų117148.8 Ų148.882%0.81883%0.831SS**  trans62.4105.7170.556.90000120.2
457N27.3Very low30.8Very low165 Ų165150.2 Ų150.288%0.88283%0.833SS**  trans-76.4127.1157.4-69.2-55000111
458V31.8Very low30.7Very low147 Ų147151.3 Ų151.389%0.89184%0.84SS**  trans-144.3144.3134.3-176.40000109.3
459R34.5Very low30.3Very low239 Ų239155.9 Ų155.990%0.90285%0.848SS**  trans-52.2137.2-167.3-65.1165.9175.8155.2-1.5116.6
460K30.6Very low30.2Very low215 Ų215159.1 Ų159.194%0.93585%0.851SS**  trans-57.7145.9152.9-75.6175.5170.8177.30110.8
461G26.7Very low29.4Very low75 Ų75160.6 Ų160.677%0.77385%0.853SS**  trans-173.269176.600000115.8
462M28.9Very low29.4Very low188 Ų188160 Ų16093%0.92685%0.85SS**  trans60.584.3145.7-150.1156.570.100119
463M31.1Very low29.6Very low193 Ų193164.6 Ų164.695%0.95185%0.851SS**  trans-92.9116.7155.6-86.7-72.1-165.300109.7
464A29.4Very low29.9Very low84 Ų84163.8 Ų163.869%0.69485%0.852SS**  trans172.694.3152.800000110.7
465F30.5Very low30Very low209 Ų209163.2 Ų163.292%0.91785%0.853SS**  trans-159.331.5161-110.9-66.4000113.9
466F33Very low30.4Very low209 Ų209164.7 Ų164.792%0.91786%0.857SS**  trans-13564.5174.7-90.4-76.6000111.1
467E31.2Very low30.5Very low188 Ų188168.3 Ų168.388%0.87988%0.882SS**  trans-166.468.8161.6-123.8178.4-176.600114.3
468T29.1Very low30.7Very low140 Ų140168.5 Ų168.586%0.85988%0.883SS**  trans-155.484.4159.4-1.60000112.3
469F30.2Very low30.6Very low223 Ų223169.6 Ų169.698%0.97888%0.882SS**  trans-17568.6140.3-102.9-65.5000110.2
470R30.1Very low30.4Very low231 Ų231165.8 Ų165.887%0.87288%0.881SS**SBendtrans-144.8116.8163.7-156171-170.4165.53.9111.5
471N27.3Very low30.4Very low145 Ų145162.9 Ų162.978%0.77588%0.878SS**  trans61.7100.5165-64.32.5000119.4
472K28.6Very low30.6Very low191 Ų191168.4 Ų168.483%0.8388%0.884SS**  -177.9140115.8-93.2172.9-176.5179.80106.6
473Q29Very low30.7Very low175 Ų175167.1 Ų167.182%0.81888%0.882SS**  cis-154.6148.612.6-133161.1-8.500109.6
474A32.1Very low30.7Very low100 Ų100165.2 Ų165.283%0.82688%0.877SS**  trans-104.8129.315800000108.3
475A30.7Very low30.8Very low83 Ų83171.5 Ų171.569%0.68689%0.891SS**  trans-175.5133.1157.100000110.9
476T35.5Very low30.8Very low141 Ų141168.3 Ų168.387%0.86589%0.888SS**  trans64129.1170.866.30000116.8
477S33Very low30.6Very low194 Ų194164.6 Ų164.6100%1.35789%0.886SS**  cis-127.403.4-66.60000111.7

Retrieved 477 of 477 residues in 95.4 ms (Link to these results)