A0A060W4M5_ONCMY Loading...

Arginine vasopressin

AlphaFold DB , UniProt , Accession A0A060W4M5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene avp, Length 156 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
1M59.9Low80.3Confident198 Ų198108.5 Ų108.598%0.97560%0.598SS**  015.30-66.5-69.3144.600116.3T5M1-T5 PolarHBondContact O-OG1 3.35Å
2P68.6Low80.6Confident89 Ų89101.9 Ų101.958%0.57857%0.573SS**Hα-helixtrans-84.1-19.3177.932.9-34.1000114.2T5 L6P2-T5 WeakPolarHBondContact CA-OG1 3.47Å; P2-T5 PolarHBondContact O-OG1 3.01Å; P2-L6 WeakPolarHBondContact O-CB 3.3Å; P2-L6 PolarHBondContact O-N 3.49Å
3H74.3Confident80.8Confident155 Ų155103.8 Ų103.872%0.71858%0.58SS**Hα-helixtrans-73.7-35.2-179.7-70.626.6000112.2L6 L7H3-L6 PolarHBondContact O-N 3.04Å; H3-L7 WeakPolarHBondContact O-CB 3.48Å; H3-L7 PolarHBondContact O-N 3.44Å
4S77Confident80.9Confident71 Ų71104.3 Ų104.350%0.49758%0.58SS.*Hα-helixtrans-68.8-41.6179.2-170.90000112L7 L8S4-L7 PolarHBondContact O-N 3.04Å; S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.46Å
5T82.1Confident80.9Confident82 Ų82100.9 Ų100.950%0.50357%0.571SS.*Hα-helixtrans-66.2-39.3173.939.70000112.2M1 P2 L7 L8 C9M1-T5 PolarHBondContact O-OG1 3.35Å; P2-T5 WeakPolarHBondContact CA-OG1 3.47Å; P2-T5 PolarHBondContact O-OG1 3.01Å; T5-L7 VanDerWaalsContact C-N 3.34Å; T5-L7 PolarHBondContact O-N 3.38Å; T5-L8 PolarHBondContact O-N 3Å; T5-C9 PolarHBondContact O-N 3.23Å; T5-C9 PolarHBondContact O-SG 3.35Å
6L85.3Confident80.6Confident119 Ų119104.5 Ų104.562%0.62358%0.579SS**Hα-helixtrans-63.1-41175.5-164.7125.3000111.8P2 H3 C9 V10P2-L6 WeakPolarHBondContact O-CB 3.3Å; P2-L6 PolarHBondContact O-N 3.49Å; H3-L6 PolarHBondContact O-N 3.04Å; L6-C9 PolarHBondContact O-N 3.38Å; L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.49Å
7L86.6Confident80.2Confident110 Ų110102.5 Ų102.558%0.57657%0.573SS**Hα-helixtrans-63.8-43.8176.3-125.7133.3000112.1H3 S4 T5 V10 I11H3-L7 WeakPolarHBondContact O-CB 3.48Å; H3-L7 PolarHBondContact O-N 3.44Å; S4-L7 PolarHBondContact O-N 3.04Å; T5-L7 VanDerWaalsContact C-N 3.34Å; T5-L7 PolarHBondContact O-N 3.38Å; L7-V10 PolarHBondContact O-N 3.19Å; L7-I11 HydrophobicContact CD2-CD1 3.94Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.38Å; L7-I11 PolarHBondContact O-N 3Å
8L86.3Confident79.5Confident116 Ų116101.1 Ų101.161%0.60757%0.572SS**Hα-helixtrans-62.5-41175.6-78.2163.2000112.2S4 T5 I11 G12S4-L8 WeakPolarHBondContact O-CG 3.49Å; S4-L8 PolarHBondContact O-N 3.46Å; T5-L8 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.05Å; L8-G12 PolarHBondContact O-N 3.35Å
9C85.9Confident78.7Confident81 Ų81100.2 Ų100.255%0.54758%0.578SS.*Hα-helixtrans-63-43.7175.8-71.90000112.2T5 L6 G12 L13T5-C9 PolarHBondContact O-N 3.23Å; T5-C9 PolarHBondContact O-SG 3.35Å; L6-C9 PolarHBondContact O-N 3.38Å; C9-G12 PolarHBondContact O-N 2.96Å; C9-L13 WeakPolarHBondContact O-CG 3.32Å; C9-L13 PolarHBondContact O-N 2.98Å
10V88.7Confident77.9Confident74 Ų74100.5 Ų100.545%0.44859%0.585SS.*Hα-helixtrans-64.7-43.4179.1172.80000111.2L6 L7 G12 L13 L14L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.38Å; L6-V10 PolarHBondContact O-N 3.49Å; L7-V10 PolarHBondContact O-N 3.19Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-G12 PolarHBondContact O-N 3.37Å; V10-L13 PolarHBondContact O-N 3.49Å; V10-L14 HydrophobicContact CG1-CD1 4.04Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.09Å; V10-L14 VanDerWaalsContact O-N 3.09Å
11I88.1Confident77.3Confident99 Ų99103.1 Ų103.151%0.50859%0.586SS.*Hα-helixtrans-63.9-41.3176.8-66.1167.8000110.8L7 L8 L14 A15L7-I11 HydrophobicContact CD2-CD1 3.94Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.38Å; L7-I11 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.05Å; I11-L14 PolarHBondContact O-N 3.37Å; I11-A15 PolarHBondContact O-N 3.03Å
12G84.8Confident77.6Confident29 Ų2999.4 Ų99.430%0.29957%0.569SS.*Hα-helixtrans-60.3-46.3175.700000112.6L8 C9 V10 L14 A15 F16L8-G12 PolarHBondContact O-N 3.35Å; C9-G12 PolarHBondContact O-N 2.96Å; V10-G12 VanDerWaalsContact C-N 3.34Å; V10-G12 PolarHBondContact O-N 3.37Å; G12-L14 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.26Å; G12-A15 PolarHBondContact O-N 3.22Å; G12-F16 WeakPolarHBondContact O-CD2 3.38Å; G12-F16 PolarHBondContact O-N 3.07Å
13L83.1Confident77.2Confident127 Ų127102.5 Ų102.567%0.66558%0.576SS**Hα-helixtrans-63.4-36.9178.2-71.2168.5000112.7C9 V10 S17C9-L13 WeakPolarHBondContact O-CG 3.32Å; C9-L13 PolarHBondContact O-N 2.98Å; V10-L13 PolarHBondContact O-N 3.49Å; L13-S17 WeakPolarHBondContact O-CB 3.34Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.9Å
14L81.8Confident76.6Confident110 Ų110102.3 Ų102.358%0.57658%0.58SS**Hα-helixtrans-68.5-36.9175-72.9165.2000112.5V10 I11 G12 S17 S18V10-L14 HydrophobicContact CG1-CD1 4.04Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.09Å; V10-L14 VanDerWaalsContact O-N 3.09Å; I11-L14 PolarHBondContact O-N 3.37Å; G12-L14 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.26Å; L14-S17 WeakPolarHBondContact CA-OG 3.37Å; L14-S17 PolarHBondContact O-OG 3.12Å; L14-S18 PolarHBondContact O-N 3.48Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 2.93Å; L14-S18 VanDerWaalsContact O-OG 3.12Å
15A80.3Confident76Confident54 Ų54103.2 Ų103.245%0.44659%0.586SS.*Hα-helixtrans-68.6-41.8175.200000111.5I11 G12 S18 A19I11-A15 PolarHBondContact O-N 3.03Å; G12-A15 PolarHBondContact O-N 3.22Å; A15-S18 PolarHBondContact O-N 3.44Å; A15-S18 PolarHBondContact O-OG 2.95Å; A15-A19 PolarHBondContact O-N 3.42Å
16F76.4Confident75Confident158 Ų158104.8 Ų104.869%0.69360%0.597SS**Hα-helixtrans-68.6-36.8176.2-90.6-82000113G12 S18 A19 C20G12-F16 WeakPolarHBondContact O-CD2 3.38Å; G12-F16 PolarHBondContact O-N 3.07Å; F16-S18 VanDerWaalsContact C-N 3.35Å; F16-A19 PolarHBondContact O-N 2.99Å; F16-C20 PolarHBondContact O-N 2.93Å
17S73.4Confident73.9Confident70 Ų70110.3 Ų110.349%0.4961%0.61SS.*Hα-helixtrans-69-33.2176.666.80000112.5L13 L14 Y21L13-S17 WeakPolarHBondContact O-CB 3.34Å; L13-S17 PolarHBondContact O-N 3.43Å; L13-S17 PolarHBondContact O-OG 2.9Å; L14-S17 WeakPolarHBondContact CA-OG 3.37Å; L14-S17 PolarHBondContact O-OG 3.12Å; S17-Y21 WeakPolarHBondContact O-CB 3.3Å; S17-Y21 PolarHBondContact O-N 3.21Å
18S68.4Low72.7Confident78 Ų78108 Ų10855%0.54561%0.612SS.*Hα-helixtrans-73.6-33.7174.361.10000113.2L14 A15 F16 C20 Y21L14-S18 PolarHBondContact O-N 3.48Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 2.93Å; L14-S18 VanDerWaalsContact O-OG 3.12Å; A15-S18 PolarHBondContact O-N 3.44Å; A15-S18 PolarHBondContact O-OG 2.95Å; F16-S18 VanDerWaalsContact C-N 3.35Å; S18-C20 VanDerWaalsContact C-N 3.33Å; S18-C20 PolarHBondContact O-N 3.11Å; S18-Y21 PolarHBondContact O-N 3.25Å
19A65.1Low71.8Confident84 Ų84104.9 Ų104.969%0.69461%0.608SS**Hα-helixtrans-68.4-28.6174.200000113.5A15 F16A15-A19 PolarHBondContact O-N 3.42Å; F16-A19 PolarHBondContact O-N 2.99Å
20C61.8Low70.5Confident105 Ų105111.7 Ų111.771%0.70963%0.628SS**THydrogen-bonded Turntrans-86.4-6.8173.1-70.10000113.6F16 S18 I22F16-C20 PolarHBondContact O-N 2.93Å; S18-C20 VanDerWaalsContact C-N 3.33Å; S18-C20 PolarHBondContact O-N 3.11Å; C20-I22 PolarHBondContact O-N 3.2Å
21Y66.6Low69.1Low156 Ų156119.6 Ų119.661%0.61265%0.65SS**  trans-87.786.8178.2-166.2-108.7000109.5S17 S18 Q23S17-Y21 WeakPolarHBondContact O-CB 3.3Å; S17-Y21 PolarHBondContact O-N 3.21Å; S18-Y21 PolarHBondContact O-N 3.25Å; Y21-Q23 HydrophobicContact CD1-CG 3.49Å; Y21-Q23 VanDerWaalsContact CD1-CG 3.49Å; Y21-Q23 HydrophobicContact CE1-CG 3.75Å; Y21-Q23 PolarHBondContact O-N 3.19Å
22I64.4Low67.7Low120 Ų120117.7 Ų117.762%0.61565%0.649SS**  trans-63.8100.5174.7-61.2172.1000108.6C20 C25C20-I22 PolarHBondContact O-N 3.2Å; I22-C25 HydrophobicContact CG2-CB 4.47Å; I22-C25 WeakPolarHBondContact CG2-SG 3.47Å
23Q60.1Low66.5Low154 Ų154122.6 Ų122.672%0.7267%0.668SS**SBendtrans-82.1-19.2175-64.1-11320.900112.4Y21Y21-Q23 HydrophobicContact CD1-CG 3.49Å; Y21-Q23 VanDerWaalsContact CD1-CG 3.49Å; Y21-Q23 HydrophobicContact CE1-CG 3.75Å; Y21-Q23 PolarHBondContact O-N 3.19Å
24N62.7Low65.1Low152 Ų152123.7 Ų123.781%0.81367%0.67SS**  trans-104.548.4178.3-80.5-63000111.1P26N24-P26 VanDerWaalsContact O-CD 3.3Å; N24-P26 WeakPolarHBondContact O-CD 3.5Å
25C64.6Low63.9Low90 Ų90126.2 Ų126.261%0.60868%0.683SS**  trans-65.6120.6165.8-79.40000107.3I22I22-C25 HydrophobicContact CG2-CB 4.47Å; I22-C25 WeakPolarHBondContact CG2-SG 3.47Å
26P60.9Low62.9Low114 Ų114127.8 Ų127.874%0.7469%0.688SS**  trans-54.7147.1171.122.9-31.2000108.9N24 G28N24-P26 VanDerWaalsContact O-CD 3.3Å; N24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-G28 PolarHBondContact O-N 2.8Å
27R62.6Low62.6Low236 Ų236123.5 Ų123.589%0.89169%0.688SS**SBendtrans-6494.8-177.1-163.6171-173.3144.6-1.2108.9
28G61.1Low63Low60 Ų60125.3 Ų125.362%0.61969%0.691SS**  trans16383-17200000113.3P26P26-G28 PolarHBondContact O-N 2.8Å
29G66.3Low64.1Low52 Ų52124.7 Ų124.754%0.53668%0.677SS.*  trans-101.2171.8163.500000111.1R31 A32G29-R31 PolarHBondContact O-N 2.74Å; G29-A32 VanDerWaalsContact N-CB 3.31Å; G29-A32 WeakPolarHBondContact O-CB 3.29Å; G29-A32 PolarHBondContact O-N 2.68Å
30K59.6Low65.4Low223 Ų223126.1 Ų126.197%0.9767%0.669SS**THydrogen-bonded Turntrans-54-13.2178.2-56.8-173.5-166.9-174.90114.9
31R58.6Low67Low241 Ų241121.5 Ų121.591%0.90964%0.638SS**THydrogen-bonded Turntrans-121.75.7-178-57.6177.4-178-113.71.4113.2G29 L33G29-R31 PolarHBondContact O-N 2.74Å; R31-L33 PolarHBondContact O-N 3.09Å
32A58.9Low68.4Low58 Ų58115.8 Ų115.848%0.47962%0.617SS.*  trans-81.9-3.5-177.800000113.2G29 Q34G29-A32 VanDerWaalsContact N-CB 3.31Å; G29-A32 WeakPolarHBondContact O-CB 3.29Å; G29-A32 PolarHBondContact O-N 2.68Å; A32-Q34 PolarHBondContact O-N 2.94Å
33L59.5Low69.9Low133 Ų133111.6 Ų111.670%0.69660%0.597SS**  trans-71.582.6164.4-167.768.4000107.7R31 D35 P84R31-L33 PolarHBondContact O-N 3.09Å; L33-D35 PolarHBondContact O-N 3.26Å; L33-P84 HydrophobicContact CD1-CG 4.37Å
34Q55.1Low71.6Confident150 Ų150104.3 Ų104.370%0.70156%0.563SS**  trans-57.9126151-93.7173.3-11.200105.7A32 T36A32-Q34 PolarHBondContact O-N 2.94Å; Q34-T36 HydrophobicContact CB-CG2 4.32Å; Q34-T36 PolarHBondContact O-N 3.4Å; Q34-T36 PolarHBondContact O-OG1 2.87Å; Q34-T36 VanDerWaalsContact O-OG1 3.14Å
35D56.2Low73Confident162 Ų16298 Ų9887%0.86653%0.534SS*.  trans-6059.9171.7-171.732.6000110.4L33L33-D35 PolarHBondContact O-N 3.26Å
36T59.4Low74.3Confident88 Ų8897.3 Ų97.354%0.5453%0.528SS..  trans-86.3116.8165.946.70000103.5Q34 I38Q34-T36 HydrophobicContact CB-CG2 4.32Å; Q34-T36 PolarHBondContact O-N 3.4Å; Q34-T36 PolarHBondContact O-OG1 2.87Å; Q34-T36 VanDerWaalsContact O-OG1 3.14Å; T36-I38 PolarHBondContact O-N 3.43Å
37G69.4Low75.7Confident67 Ų6795 Ų9569%0.69153%0.526SS*.  trans-45140.9-175.200000111.9R39G37-R39 PolarHBondContact O-N 3.2Å; G37-R39 VanDerWaalsContact O-N 3.1Å
38I82.3Confident77.1Confident109 Ų10987.8 Ų87.856%0.55951%0.505SS*.PPolyproline II helixtrans-59.1118.5-177.1-56.6170.7000108.4T36 Q86T36-I38 PolarHBondContact O-N 3.43Å; I38-Q86 HydrophobicContact CG2-CB 3.5Å; I38-Q86 VanDerWaalsContact CG2-CB 3.5Å
39R91.3Very high78.6Confident65 Ų6591.6 Ų91.625%0.24551%0.507CS..EExtended strand (participates in β ladder)trans-75.8158.3179.964.8171.2175.488.99.8110.9G37 E78 L81 T83 P84 C85 Q86G37-R39 PolarHBondContact O-N 3.2Å; G37-R39 VanDerWaalsContact O-N 3.1Å; R39-E78 IonicContact CZ-OE1 3.28Å; R39-E78 IonicContact CZ-OE2 3.55Å; R39-E78 VanDerWaalsContact CZ-OE2 3.28Å; R39-E78 VanDerWaalsContact NH1-CD 3.35Å; R39-E78 IonicContact NH1-OE1 3.06Å; R39-E78 PolarHBondContact NH1-OE1 2.92Å; R39-E78 IonicContact NH1-OE2 2.74Å; R39-E78 PolarHBondContact NH1-OE2 3.2Å; R39-E78 IonicContact NH2-OE1 2.63Å; R39-E78 IonicContact NH2-OE2 3.72Å; R39-E78 PolarHBondContact NH2-OE2 3.31Å; R39-L81 VanDerWaalsContact NH2-CB 3.35Å; R39-L81 VanDerWaalsContact NH2-CD1 3.26Å; R39-T83 PolarHBondContact NE-O 3.13Å; R39-T83 PolarHBondContact NE-OG1 3.43Å; R39-T83 PolarHBondContact NH2-O 3.09Å; R39-P84 WeakPolarHBondContact CG-O 3.47Å; R39-C85 HydrophobicContact CG-CB 3.97Å; R39-C85 CarbonylContact O-C 3.56Å; R39-C85 WeakPolarHBondContact O-CA 3.49Å; R39-Q86 PolarHBondContact O-N 3.01Å
40Q92.4Very high80Confident113 Ų11389.2 Ų89.253%0.52848%0.482SS..EExtended strand (participates in β ladder)trans-71.5144.5166.3-67.8-174.9-7.300110.3Q86Q40-Q86 WeakPolarHBondContact CA-O 3.47Å
41C95.3Very high81.7Confident9 Ų982.8 Ų82.86%0.06145%0.451CS..PPolyproline II helixtrans-63.2155.2173.3-56.70000110.8R51 C52 E78 C85 Q86 T87C41-R51 VanDerWaalsContact O-CD 3.22Å; C41-R51 WeakPolarHBondContact O-CD 3.36Å; C41-R51 PolarHBondContact O-NH1 3.19Å; C41-C52 HydrophobicContact CB-CB 4.43Å; C41-C52 WeakPolarHBondContact CB-O 3.44Å; C41-E78 VanDerWaalsContact CA-OE1 3.31Å; C41-E78 WeakPolarHBondContact CA-OE1 3.38Å; C41-C85 WeakPolarHBondContact CA-SG 3.34Å; C41-C85 HydrophobicContact CB-CB 3.86Å; C41-C85 WeakPolarHBondContact CB-SG 3.32Å; C41-C85 VanDerWaalsContact SG-C 3.57Å; C41-C85 WeakPolarHBondContact SG-CB 3.36Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 3.23Å; C41-Q86 PolarHBondContact N-O 3.26Å; C41-Q86 VanDerWaalsContact SG-C 3.57Å; C41-T87 HydrophobicContact CB-CG2 4.31Å
42M95.2Very high83.5Confident36 Ų3671.4 Ų71.418%0.17741%0.409CS..PPolyproline II helixtrans-55.1147.7-176.5-76.6-172-81.300112R51 C52 E77 E78 L81M42-R51 WeakPolarHBondContact O-CA 3.32Å; M42-C52 PolarHBondContact O-N 3.3Å; M42-C52 PolarHBondContact O-SG 3.09Å; M42-E77 VanDerWaalsContact CE-C 3.46Å; M42-E77 HydrophobicContact CE-CB 3.61Å; M42-E78 HydrophobicContact CE-CB 4.1Å; M42-E78 HydrophobicContact CE-CG 3.52Å; M42-E78 WeakPolarHBondContact CG-OE1 3.42Å; M42-E78 PolarHBondContact N-OE1 3.01Å; M42-L81 HydrophobicContact CE-CD1 3.63Å; M42-L81 HydrophobicContact CE-CG 4.49Å; M42-L81 HydrophobicContact SD-CD1 4.17Å
43T96.1Very high85.3Confident31 Ų3169.7 Ų69.719%0.1939%0.39CS..EExtended strand (participates in β ladder)trans-67.1160.8168.456.20000110.8D48 G50 R74T43-D48 WeakPolarHBondContact CB-OD1 3.34Å; T43-D48 HydrophobicContact CG2-CB 4.47Å; T43-D48 PolarHBondContact OG1-OD1 3.14Å; T43-G50 CarbonylContact C-O 3.58Å; T43-G50 WeakPolarHBondContact CA-O 3.15Å; T43-G50 WeakPolarHBondContact CB-O 3.47Å; T43-R74 VanDerWaalsContact C-NH2 3.27Å; T43-R74 PolarHBondContact O-NE 3.19Å; T43-R74 VanDerWaalsContact O-NE 3.09Å; T43-R74 PolarHBondContact O-NH2 2.9Å; T43-R74 PolarHBondContact OG1-NH2 3.26Å
44C95.8Very high86.9Confident2 Ų263.9 Ų63.91%0.01436%0.363CS..EExtended strand (participates in β ladder)trans-158.2174.3179.159.30000110.6G50 R51 C58C44-G50 PolarHBondContact N-O 3.28Å; C44-G50 WeakPolarHBondContact O-CA 3.43Å; C44-G50 PolarHBondContact O-N 3.2Å; C44-G50 VanDerWaalsContact SG-C 3.55Å; C44-R51 PolarHBondContact SG-N 3.14Å; C44-R51 VanDerWaalsContact SG-N 3.43Å; C44-R51 PolarHBondContact SG-O 3.2Å; C44-R51 VanDerWaalsContact SG-O 3.37Å; C44-C58 HydrophobicContact CB-CB 3.85Å; C44-C58 WeakPolarHBondContact CB-SG 3.01Å; C44-C58 WeakPolarHBondContact SG-CA 3.43Å; C44-C58 WeakPolarHBondContact SG-CB 3.07Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 3.33Å
45G93.5Very high88.8Confident19 Ų1958.6 Ų58.620%0.19634%0.342CS..SBendtrans72.9179.6179.100000115G47 D48 C58 E71G45-G47 PolarHBondContact O-N 3.22Å; G45-D48 PolarHBondContact O-N 3.03Å; G45-C58 PolarHBondContact N-SG 2.87Å; G45-E71 PolarHBondContact N-O 3.49Å
46P91.3Very high90.7Very high75 Ų7553.4 Ų53.449%0.48732%0.318SS..G310 helixtrans-56.7122.9-178.7-23.533.2000112.1D48 Q49 L63P46-D48 VanDerWaalsContact C-N 3.26Å; P46-D48 PolarHBondContact O-N 3.3Å; P46-Q49 WeakPolarHBondContact O-CG 3.47Å; P46-L63 HydrophobicContact CG-CD1 4.23Å
47G90.8Very high92.5Very high67 Ų6749.2 Ų49.269%0.69129%0.292SS*.G310 helixtrans65.824.1178.200000114.6G45 Q49G45-G47 PolarHBondContact O-N 3.22Å; G47-Q49 PolarHBondContact O-N 2.68Å; G47-Q49 VanDerWaalsContact O-N 3.14Å
48D92.1Very high93.8Very high84 Ų8446 Ų4645%0.44926%0.259SS..G310 helixtrans58.126.3178.8-74-66000113.9T43 G45 P46 G50 R74T43-D48 WeakPolarHBondContact CB-OD1 3.34Å; T43-D48 HydrophobicContact CG2-CB 4.47Å; T43-D48 PolarHBondContact OG1-OD1 3.14Å; G45-D48 PolarHBondContact O-N 3.03Å; P46-D48 VanDerWaalsContact C-N 3.26Å; P46-D48 PolarHBondContact O-N 3.3Å; D48-G50 VanDerWaalsContact C-N 3.33Å; D48-R74 IonicContact OD1-CZ 3.77Å; D48-R74 IonicContact OD1-NH1 2.79Å; D48-R74 PolarHBondContact OD1-NH1 3.44Å; D48-R74 IonicContact OD1-NH2 3.86Å
49Q92.2Very high94.5Very high140 Ų14041 Ų4165%0.65423%0.233SC*.  trans-81.8-11-176.1-61.8-173.320.400113.8P46 G47P46-Q49 WeakPolarHBondContact O-CG 3.47Å; G47-Q49 PolarHBondContact O-N 2.68Å; G47-Q49 VanDerWaalsContact O-N 3.14Å
50G94.3Very high94.7Very high1 Ų138.2 Ų38.21%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-103.5172.7175.700000113.1T43 C44 D48 C59T43-G50 CarbonylContact C-O 3.58Å; T43-G50 WeakPolarHBondContact CA-O 3.15Å; T43-G50 WeakPolarHBondContact CB-O 3.47Å; C44-G50 PolarHBondContact N-O 3.28Å; C44-G50 WeakPolarHBondContact O-CA 3.43Å; C44-G50 PolarHBondContact O-N 3.2Å; C44-G50 VanDerWaalsContact SG-C 3.55Å; D48-G50 VanDerWaalsContact C-N 3.33Å; G50-C59 CarbonylContact C-O 3.55Å; G50-C59 WeakPolarHBondContact CA-O 3Å
51R95.9Very high94.5Very high89 Ų8941 Ų4134%0.33624%0.238SC..EExtended strand (participates in β ladder)trans-130.3149170.4-69.3-77.1-177.3172.50.2109.8C41 M42 C44 F53 C59C41-R51 VanDerWaalsContact O-CD 3.22Å; C41-R51 WeakPolarHBondContact O-CD 3.36Å; C41-R51 PolarHBondContact O-NH1 3.19Å; M42-R51 WeakPolarHBondContact O-CA 3.32Å; C44-R51 PolarHBondContact SG-N 3.14Å; C44-R51 VanDerWaalsContact SG-N 3.43Å; C44-R51 PolarHBondContact SG-O 3.2Å; C44-R51 VanDerWaalsContact SG-O 3.37Å; R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 WeakPolarHBondContact O-CD2 3.22Å; R51-F53 PolarHBondContact O-N 3.33Å; R51-C59 PolarHBondContact N-O 2.92Å; R51-C59 PolarHBondContact O-N 3.26Å
52C96.8Very high94.1Very high2 Ų244.3 Ų44.31%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-75.5122.2177.8-62.60000111.1C41 M42 I57 C75 E78 T87C41-C52 HydrophobicContact CB-CB 4.43Å; C41-C52 WeakPolarHBondContact CB-O 3.44Å; M42-C52 PolarHBondContact O-N 3.3Å; M42-C52 PolarHBondContact O-SG 3.09Å; C52-I57 WeakPolarHBondContact CA-O 3.31Å; C52-C75 WeakPolarHBondContact CA-SG 3.07Å; C52-C75 HydrophobicContact CB-CB 3.58Å; C52-C75 WeakPolarHBondContact CB-SG 3.15Å; C52-C75 WeakPolarHBondContact SG-CA 3.45Å; C52-C75 WeakPolarHBondContact SG-CB 3.5Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.1Å; C52-E78 HydrophobicContact CB-CG 4.45Å; C52-T87 WeakPolarHBondContact O-CG2 3.45Å
53F95.8Very high93.8Very high21 Ų2144.3 Ų44.39%0.09227%0.274CS..EExtended strand (participates in β ladder)trans-97.6-23.4173-79.5-107000112.3R51 I57 C59 T87 R98 A100 C106 S108R51-F53 HydrophobicContact CB-CE2 4.36Å; R51-F53 WeakPolarHBondContact O-CD2 3.22Å; R51-F53 PolarHBondContact O-N 3.33Å; F53-I57 HydrophobicContact CB-CB 4.3Å; F53-I57 HydrophobicContact CB-CG2 3.93Å; F53-I57 PolarHBondContact N-O 3.14Å; F53-C59 HydrophobicContact CD2-CB 3.78Å; F53-C59 HydrophobicContact CE2-CB 3.81Å; F53-T87 HydrophobicContact CB-CG2 4.29Å; F53-T87 HydrophobicContact CD1-CG2 3.83Å; F53-T87 HydrophobicContact CD2-CG2 4.02Å; F53-T87 HydrophobicContact CE1-CG2 4.07Å; F53-T87 HydrophobicContact CE2-CG2 4.23Å; F53-T87 HydrophobicContact CG-CG2 3.79Å; F53-T87 HydrophobicContact CZ-CG2 4.25Å; F53-R98 HydrophobicContact CE1-CB 4.01Å; F53-A100 HydrophobicContact CD1-CB 3.88Å; F53-A100 HydrophobicContact CD2-CB 4.13Å; F53-A100 HydrophobicContact CE1-CB 3.5Å; F53-A100 VanDerWaalsContact CE1-CB 3.5Å; F53-A100 HydrophobicContact CE2-CB 3.8Å; F53-A100 HydrophobicContact CG-CB 4.2Å; F53-A100 HydrophobicContact CZ-CB 3.47Å; F53-A100 VanDerWaalsContact CZ-CB 3.47Å; F53-C106 HydrophobicContact CB-CB 4.33Å; F53-C106 HydrophobicContact CD1-CB 3.95Å; F53-C106 HydrophobicContact CG-CB 4.3Å; F53-S108 WeakPolarHBondContact O-CA 2.96Å
54G94.7Very high93.7Very high11 Ų1144.1 Ų44.111%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-159.3176.3176.400000110.3S56 I57 C75 S108G54-S56 PolarHBondContact O-N 2.71Å; G54-S56 VanDerWaalsContact O-N 3.09Å; G54-I57 PolarHBondContact O-N 2.76Å; G54-C75 VanDerWaalsContact O-CB 3.26Å; G54-C75 WeakPolarHBondContact O-CB 3.45Å; G54-S108 WeakPolarHBondContact CA-O 3.49Å
55P95.1Very high93.7Very high40 Ų4045.7 Ų45.726%0.2629%0.289SS..THydrogen-bonded Turntrans-62.9-20.7-175.827-35.9000113.7C75 F76 N79P55-C75 CarbonylContact O-C 3.6Å; P55-F76 HydrophobicContact CB-CD2 4.26Å; P55-F76 PolarHBondContact O-N 3.45Å; P55-N79 WeakPolarHBondContact CB-ND2 3.35Å
56S96.1Very high93.8Very high52 Ų5249.6 Ų49.636%0.36430%0.298SS..THydrogen-bonded Turntrans-127.821179.156.10000112.4G54 M67 G68 T72G54-S56 PolarHBondContact O-N 2.71Å; G54-S56 VanDerWaalsContact O-N 3.09Å; S56-M67 CarbonylContact O-C 3.48Å; S56-M67 VanDerWaalsContact O-CA 3.26Å; S56-M67 WeakPolarHBondContact O-CA 3.48Å; S56-G68 PolarHBondContact O-N 2.67Å; S56-T72 WeakPolarHBondContact O-CG2 3.49Å
57I96.7Very high93.9Very high1 Ų151.2 Ų51.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-131.1120.8-175.5-51.1-179.2000110.3C52 F53 G54 W66 M67C52-I57 WeakPolarHBondContact CA-O 3.31Å; F53-I57 HydrophobicContact CB-CB 4.3Å; F53-I57 HydrophobicContact CB-CG2 3.93Å; F53-I57 PolarHBondContact N-O 3.14Å; G54-I57 PolarHBondContact O-N 2.76Å; I57-W66 WeakPolarHBondContact CA-O 3.26Å; I57-M67 HydrophobicContact CG1-CG 4.19Å; I57-M67 HydrophobicContact CG2-CG 4.25Å
58C97.1Very high94Very high0 Ų051.2 Ų51.20%030%0.301CS..EExtended strand (participates in β ladder)trans-125.1122.8176.3177.40000110.4C44 G45 C65 W66 T72C44-C58 HydrophobicContact CB-CB 3.85Å; C44-C58 WeakPolarHBondContact CB-SG 3.01Å; C44-C58 WeakPolarHBondContact SG-CA 3.43Å; C44-C58 WeakPolarHBondContact SG-CB 3.07Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 3.33Å; G45-C58 PolarHBondContact N-SG 2.87Å; C58-C65 CarbonylContact O-C 3.44Å; C58-C65 WeakPolarHBondContact O-CA 3.44Å; C58-W66 HydrophobicContact CB-CB 4.47Å; C58-W66 PolarHBondContact N-O 2.63Å; C58-W66 PolarHBondContact O-N 2.65Å; C58-T72 HydrophobicContact CB-CG2 3.94Å
59C96.8Very high93.9Very high2 Ų248.9 Ų48.91%0.01429%0.291CS..EExtended strand (participates in β ladder)trans-133.1150.7-178.5-62.30000113.1G50 R51 F53 G64 C65 A100 C106G50-C59 CarbonylContact C-O 3.55Å; G50-C59 WeakPolarHBondContact CA-O 3Å; R51-C59 PolarHBondContact N-O 2.92Å; R51-C59 PolarHBondContact O-N 3.26Å; F53-C59 HydrophobicContact CD2-CB 3.78Å; F53-C59 HydrophobicContact CE2-CB 3.81Å; C59-G64 CarbonylContact C-O 3.45Å; C59-G64 VanDerWaalsContact CA-O 3.24Å; C59-G64 WeakPolarHBondContact CA-O 3.26Å; C59-C65 HydrophobicContact CB-CB 4.16Å; C59-C65 WeakPolarHBondContact CB-SG 2.95Å; C59-C65 WeakPolarHBondContact SG-CB 3.49Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 2.79Å; C59-A100 HydrophobicContact CB-CB 3.52Å; C59-A100 VanDerWaalsContact SG-CB 3.59Å; C59-C106 VanDerWaalsContact SG-SG 3.61Å
60G93.9Very high93.9Very high8 Ų846.9 Ų46.98%0.08229%0.292CS..EExtended strand (participates in β ladder)trans-159.7154.6172.400000112G62 L63 G64G60-G62 VanDerWaalsContact C-N 3.34Å; G60-G62 PolarHBondContact O-N 3.03Å; G60-L63 PolarHBondContact O-N 3.48Å; G60-G64 PolarHBondContact N-O 2.73Å; G60-G64 PolarHBondContact O-N 2.93Å
61E88.5Confident93.7Very high171 Ų17149.6 Ų49.680%0.79931%0.305SS*.THydrogen-bonded Turntrans-56.2-43.2-171.3-67.6-174158.800113.8P102E61-P102 WeakPolarHBondContact O-CD 2.99Å
62G86.7Confident93.6Very high78 Ų7845.8 Ų45.880%0.80429%0.291SS*.THydrogen-bonded Turntrans-93.1-6.5176.700000114.6G60G60-G62 VanDerWaalsContact C-N 3.34Å; G60-G62 PolarHBondContact O-N 3.03Å
63L89.9Confident93.4Very high36 Ų3648.9 Ų48.919%0.18832%0.317CS..THydrogen-bonded Turntrans-97.8-27.8-174.7-175.473000112P46 G60 W66P46-L63 HydrophobicContact CG-CD1 4.23Å; G60-L63 PolarHBondContact O-N 3.48Å; L63-W66 VanDerWaalsContact CD1-NE1 3.35Å
64G93.3Very high93.2Very high27 Ų2751.9 Ų51.928%0.27833%0.328SS..EExtended strand (participates in β ladder)trans74.9-148.8-162.200000110.6C59 G60C59-G64 CarbonylContact C-O 3.45Å; C59-G64 VanDerWaalsContact CA-O 3.24Å; C59-G64 WeakPolarHBondContact CA-O 3.26Å; G60-G64 PolarHBondContact N-O 2.73Å; G60-G64 PolarHBondContact O-N 2.93Å
65C96.1Very high93.3Very high35 Ų3551.4 Ų51.424%0.23632%0.322CS..EExtended strand (participates in β ladder)trans-126.5134178.3-73.60000111.5C58 C59 C106C58-C65 CarbonylContact O-C 3.44Å; C58-C65 WeakPolarHBondContact O-CA 3.44Å; C59-C65 HydrophobicContact CB-CB 4.16Å; C59-C65 WeakPolarHBondContact CB-SG 2.95Å; C59-C65 WeakPolarHBondContact SG-CB 3.49Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 2.79Å; C65-C106 VanDerWaalsContact SG-SG 3.68Å
66W94.8Very high93.3Very high102 Ų10254.6 Ų54.639%0.38633%0.332SS..EExtended strand (participates in β ladder)trans-110.2132.5173.4-59.288.4000109.1I57 C58 L63 E71 T72I57-W66 WeakPolarHBondContact CA-O 3.26Å; C58-W66 HydrophobicContact CB-CB 4.47Å; C58-W66 PolarHBondContact N-O 2.63Å; C58-W66 PolarHBondContact O-N 2.65Å; L63-W66 VanDerWaalsContact CD1-NE1 3.35Å; W66-E71 HydrophobicContact CB-CB 4.36Å; W66-E71 HydrophobicContact CD2-CG 4.45Å; W66-E71 HydrophobicContact CG-CB 4.29Å; W66-T72 HydrophobicContact CB-CG2 4.15Å; W66-T72 VanDerWaalsContact O-CG2 3.31Å; W66-T72 WeakPolarHBondContact O-CG2 3.44Å
67M95Very high93.1Very high109 Ų10957.1 Ų57.154%0.53734%0.338SS..EExtended strand (participates in β ladder)trans-128.6126.8-179.2-69.6-177.3-87.600110.4S56 I57 S69 C111S56-M67 CarbonylContact O-C 3.48Å; S56-M67 VanDerWaalsContact O-CA 3.26Å; S56-M67 WeakPolarHBondContact O-CA 3.48Å; I57-M67 HydrophobicContact CG1-CG 4.19Å; I57-M67 HydrophobicContact CG2-CG 4.25Å; M67-S69 PolarHBondContact O-N 2.87Å; M67-C111 HydrophobicContact CE-CB 4.12Å; M67-C111 HydrophobicContact SD-CB 4.1Å
68G92.1Very high93Very high67 Ų6758.2 Ų58.269%0.69134%0.344SS*.SBendtrans63.320.8176.200000115.1S56S56-G68 PolarHBondContact O-N 2.67Å
69S90.7Very high92.8Very high35 Ų3562.8 Ų62.825%0.24537%0.368CS..SBendtrans-106.3174.9-178.373.90000112M67 E71 T72M67-S69 PolarHBondContact O-N 2.87Å; S69-E71 WeakPolarHBondContact CB-OE2 3.24Å; S69-E71 PolarHBondContact O-N 2.89Å; S69-E71 PolarHBondContact OG-OE2 3.49Å; S69-T72 PolarHBondContact N-OG1 2.02Å; S69-T72 PolarHBondContact O-N 3.06Å; S69-T72 PolarHBondContact O-OG1 3.48Å
70S91.6Very high92.5Very high98 Ų9870.9 Ų70.969%0.68540%0.399SS*.G310 helixtrans-61.4-28.7-178.3750000113.1T72 A73S70-T72 PolarHBondContact O-N 3.47Å; S70-A73 WeakPolarHBondContact O-CB 3.47Å; S70-A73 PolarHBondContact O-N 2.04Å
71E90.9Very high92.3Very high58 Ų5874 Ų7427%0.27141%0.414SS..G310 helixtrans-65.9-19.6178.1-62.571.5-153.300112.3G45 W66 S69G45-E71 PolarHBondContact N-O 3.49Å; W66-E71 HydrophobicContact CB-CB 4.36Å; W66-E71 HydrophobicContact CD2-CG 4.45Å; W66-E71 HydrophobicContact CG-CB 4.29Å; S69-E71 WeakPolarHBondContact CB-OE2 3.24Å; S69-E71 PolarHBondContact O-N 2.89Å; S69-E71 PolarHBondContact OG-OE2 3.49Å
72T93.6Very high92.1Very high9 Ų970.8 Ų70.86%0.05541%0.408CS..G310 helixtrans-94.3-6.5-179.3710000113.2S56 C58 W66 S69 S70 R74 C75S56-T72 WeakPolarHBondContact O-CG2 3.49Å; C58-T72 HydrophobicContact CB-CG2 3.94Å; W66-T72 HydrophobicContact CB-CG2 4.15Å; W66-T72 VanDerWaalsContact O-CG2 3.31Å; W66-T72 WeakPolarHBondContact O-CG2 3.44Å; S69-T72 PolarHBondContact N-OG1 2.02Å; S69-T72 PolarHBondContact O-N 3.06Å; S69-T72 PolarHBondContact O-OG1 3.48Å; S70-T72 PolarHBondContact O-N 3.47Å; T72-R74 PolarHBondContact O-N 2.8Å; T72-R74 VanDerWaalsContact O-N 3.13Å; T72-C75 WeakPolarHBondContact O-CA 3.26Å; T72-C75 VanDerWaalsContact O-CB 3.26Å; T72-C75 WeakPolarHBondContact O-CB 3.18Å; T72-C75 PolarHBondContact O-N 3.09Å
73A91.3Very high92.1Very high66 Ų6669.9 Ų69.955%0.54539%0.387SS..G310 helixtrans-55.7-37.2-175.300000113S70 C75 F76S70-A73 WeakPolarHBondContact O-CB 3.47Å; S70-A73 PolarHBondContact O-N 2.04Å; A73-C75 VanDerWaalsContact C-N 3.27Å; A73-C75 PolarHBondContact O-N 3.19Å; A73-F76 WeakPolarHBondContact O-CB 3.05Å; A73-F76 PolarHBondContact O-N 3.37Å
74R93.1Very high92Very high85 Ų8571.6 Ų71.632%0.32140%0.4SS..G310 helixtrans-70.4-23178-142.5179.685.2-177.27.9113.3T43 D48 T72 F76 E77T43-R74 VanDerWaalsContact C-NH2 3.27Å; T43-R74 PolarHBondContact O-NE 3.19Å; T43-R74 VanDerWaalsContact O-NE 3.09Å; T43-R74 PolarHBondContact O-NH2 2.9Å; T43-R74 PolarHBondContact OG1-NH2 3.26Å; D48-R74 IonicContact OD1-CZ 3.77Å; D48-R74 IonicContact OD1-NH1 2.79Å; D48-R74 PolarHBondContact OD1-NH1 3.44Å; D48-R74 IonicContact OD1-NH2 3.86Å; T72-R74 PolarHBondContact O-N 2.8Å; T72-R74 VanDerWaalsContact O-N 3.13Å; R74-F76 PolarHBondContact O-N 2.54Å; R74-E77 WeakPolarHBondContact CG-OE2 3.03Å; R74-E77 WeakPolarHBondContact O-CB 3.31Å; R74-E77 PolarHBondContact O-N 3.43Å
75C95.9Very high92Very high0 Ų072.3 Ų72.30%040%0.4CS..G310 helixtrans-71.2-23.9176.9-59.60000112.4C52 G54 P55 T72 A73 E77 E78C52-C75 WeakPolarHBondContact CA-SG 3.07Å; C52-C75 HydrophobicContact CB-CB 3.58Å; C52-C75 WeakPolarHBondContact CB-SG 3.15Å; C52-C75 WeakPolarHBondContact SG-CA 3.45Å; C52-C75 WeakPolarHBondContact SG-CB 3.5Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.1Å; G54-C75 VanDerWaalsContact O-CB 3.26Å; G54-C75 WeakPolarHBondContact O-CB 3.45Å; P55-C75 CarbonylContact O-C 3.6Å; T72-C75 WeakPolarHBondContact O-CA 3.26Å; T72-C75 VanDerWaalsContact O-CB 3.26Å; T72-C75 WeakPolarHBondContact O-CB 3.18Å; T72-C75 PolarHBondContact O-N 3.09Å; A73-C75 VanDerWaalsContact C-N 3.27Å; A73-C75 PolarHBondContact O-N 3.19Å; C75-E77 PolarHBondContact O-N 2.79Å; C75-E78 WeakPolarHBondContact O-CB 3.35Å; C75-E78 PolarHBondContact O-N 2.05Å
76F94.3Very high91.7Very high107 Ų10774.9 Ų74.947%0.46941%0.409SS..G310 helixtrans-65.1-25.6172.8-165.5-103.8000112.4P55 A73 R74 E78 N79 Y80P55-F76 HydrophobicContact CB-CD2 4.26Å; P55-F76 PolarHBondContact O-N 3.45Å; A73-F76 WeakPolarHBondContact O-CB 3.05Å; A73-F76 PolarHBondContact O-N 3.37Å; R74-F76 PolarHBondContact O-N 2.54Å; F76-E78 PolarHBondContact O-N 2.83Å; F76-N79 WeakPolarHBondContact O-CB 3.24Å; F76-N79 PolarHBondContact O-N 2.78Å; F76-N79 PolarHBondContact O-ND2 2.96Å; F76-Y80 AromaticContact CD1-CE2 3.78Å; F76-Y80 HydrophobicContact CD1-CE2 3.78Å; F76-Y80 AromaticContact CE1-CE2 3.66Å; F76-Y80 HydrophobicContact CE1-CE2 3.66Å; F76-Y80 AromaticContact CE1-CZ 3.87Å; F76-Y80 VanDerWaalsContact CE1-OH 3.29Å; F76-Y80 WeakPolarHBondContact CE1-OH 2.96Å
77E93.7Very high91.5Very high105 Ų10571.2 Ų71.249%0.49140%0.398SS..G310 helixtrans-65.7-24.4177.2-62177176.800112.4M42 R74 C75 N79 Y80M42-E77 VanDerWaalsContact CE-C 3.46Å; M42-E77 HydrophobicContact CE-CB 3.61Å; R74-E77 WeakPolarHBondContact CG-OE2 3.03Å; R74-E77 WeakPolarHBondContact O-CB 3.31Å; R74-E77 PolarHBondContact O-N 3.43Å; C75-E77 PolarHBondContact O-N 2.79Å; E77-N79 PolarHBondContact O-N 3.43Å; E77-Y80 PolarHBondContact O-N 3.29Å; E77-Y80 VanDerWaalsContact O-N 3.09Å
78E94.1Very high91.2Very high25 Ų2568.1 Ų68.112%0.11739%0.393CS..G310 helixtrans-58.2-33175.9-79.6-68.3174.100111.9R39 C41 M42 C52 C75 F76 Y80 L81R39-E78 IonicContact CZ-OE1 3.28Å; R39-E78 IonicContact CZ-OE2 3.55Å; R39-E78 VanDerWaalsContact CZ-OE2 3.28Å; R39-E78 VanDerWaalsContact NH1-CD 3.35Å; R39-E78 IonicContact NH1-OE1 3.06Å; R39-E78 PolarHBondContact NH1-OE1 2.92Å; R39-E78 IonicContact NH1-OE2 2.74Å; R39-E78 PolarHBondContact NH1-OE2 3.2Å; R39-E78 IonicContact NH2-OE1 2.63Å; R39-E78 IonicContact NH2-OE2 3.72Å; R39-E78 PolarHBondContact NH2-OE2 3.31Å; C41-E78 VanDerWaalsContact CA-OE1 3.31Å; C41-E78 WeakPolarHBondContact CA-OE1 3.38Å; M42-E78 HydrophobicContact CE-CB 4.1Å; M42-E78 HydrophobicContact CE-CG 3.52Å; M42-E78 WeakPolarHBondContact CG-OE1 3.42Å; M42-E78 PolarHBondContact N-OE1 3.01Å; C52-E78 HydrophobicContact CB-CG 4.45Å; C75-E78 WeakPolarHBondContact O-CB 3.35Å; C75-E78 PolarHBondContact O-N 2.05Å; F76-E78 PolarHBondContact O-N 2.83Å; E78-Y80 PolarHBondContact O-N 3.48Å; E78-Y80 VanDerWaalsContact O-N 3.14Å; E78-L81 PolarHBondContact O-N 2.93Å; E78-L81 VanDerWaalsContact O-N 3.09Å
79N91.6Very high91Very high95 Ų9566.9 Ų66.951%0.50838%0.381SS..G310 helixtrans-63.4-21.5179.9-67.3-36.8000113.5P55 F76 E77P55-N79 WeakPolarHBondContact CB-ND2 3.35Å; F76-N79 WeakPolarHBondContact O-CB 3.24Å; F76-N79 PolarHBondContact O-N 2.78Å; F76-N79 PolarHBondContact O-ND2 2.96Å; E77-N79 PolarHBondContact O-N 3.43Å
80Y91.3Very high91.1Very high172 Ų17270.5 Ų70.568%0.67539%0.389SS*.G310 helixtrans-95.3-8.1-179.5-59.6-74.7000112.7F76 E77 E78F76-Y80 AromaticContact CD1-CE2 3.78Å; F76-Y80 HydrophobicContact CD1-CE2 3.78Å; F76-Y80 AromaticContact CE1-CE2 3.66Å; F76-Y80 HydrophobicContact CE1-CE2 3.66Å; F76-Y80 AromaticContact CE1-CZ 3.87Å; F76-Y80 VanDerWaalsContact CE1-OH 3.29Å; F76-Y80 WeakPolarHBondContact CE1-OH 2.96Å; E77-Y80 PolarHBondContact O-N 3.29Å; E77-Y80 VanDerWaalsContact O-N 3.09Å; E78-Y80 PolarHBondContact O-N 3.48Å; E78-Y80 VanDerWaalsContact O-N 3.14Å
81L89.6Confident91.2Very high73 Ų7370.8 Ų70.838%0.38239%0.389SS..  trans-86.1120.8179.2-65.4179.2000110.3R39 M42 E78 T83R39-L81 VanDerWaalsContact NH2-CB 3.35Å; R39-L81 VanDerWaalsContact NH2-CD1 3.26Å; M42-L81 HydrophobicContact CE-CD1 3.63Å; M42-L81 HydrophobicContact CE-CG 4.49Å; M42-L81 HydrophobicContact SD-CD1 4.17Å; E78-L81 PolarHBondContact O-N 2.93Å; E78-L81 VanDerWaalsContact O-N 3.09Å; L81-T83 PolarHBondContact O-N 2.78Å
82P85.1Confident91.3Very high104 Ų10468.6 Ų68.668%0.67538%0.38SS*.SBendtrans-72.8-14.5-178.729.8-35.6000113.1
83T86.4Confident91.1Very high59 Ų5970.5 Ų70.536%0.36240%0.402SS..SBendtrans-87.7126.7178.351.70000110.4R39 L81R39-T83 PolarHBondContact NE-O 3.13Å; R39-T83 PolarHBondContact NE-OG1 3.43Å; R39-T83 PolarHBondContact NH2-O 3.09Å; L81-T83 PolarHBondContact O-N 2.78Å
84P88.2Confident90.4Very high73 Ų7372.8 Ų72.847%0.47441%0.414SS..  trans-65.1146.417729.1-34.7000110.5L33 R39L33-P84 HydrophobicContact CD1-CG 4.37Å; R39-P84 WeakPolarHBondContact CG-O 3.47Å
85C91.9Very high89.7Confident41 Ų4174.1 Ų74.128%0.27743%0.427SS..EExtended strand (participates in β ladder)trans-118161.1172.177.20000110.8R39 C41R39-C85 HydrophobicContact CG-CB 3.97Å; R39-C85 CarbonylContact O-C 3.56Å; R39-C85 WeakPolarHBondContact O-CA 3.49Å; C41-C85 WeakPolarHBondContact CA-SG 3.34Å; C41-C85 HydrophobicContact CB-CB 3.86Å; C41-C85 WeakPolarHBondContact CB-SG 3.32Å; C41-C85 VanDerWaalsContact SG-C 3.57Å; C41-C85 WeakPolarHBondContact SG-CB 3.36Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 3.23Å
86Q90.4Very high89.2Confident89 Ų8978.6 Ų78.642%0.41646%0.464SS..EExtended strand (participates in β ladder)trans-127.4137.8173.2-179.9166.747.400110.2I38 R39 Q40 C41I38-Q86 HydrophobicContact CG2-CB 3.5Å; I38-Q86 VanDerWaalsContact CG2-CB 3.5Å; R39-Q86 PolarHBondContact O-N 3.01Å; Q40-Q86 WeakPolarHBondContact CA-O 3.47Å; C41-Q86 PolarHBondContact N-O 3.26Å; C41-Q86 VanDerWaalsContact SG-C 3.57Å
87T90.8Very high89.2Confident26 Ų2673.7 Ų73.716%0.1644%0.443CS..  trans-80.3146.9171.5400000111.8C41 C52 F53 R98C41-T87 HydrophobicContact CB-CG2 4.31Å; C52-T87 WeakPolarHBondContact O-CG2 3.45Å; F53-T87 HydrophobicContact CB-CG2 4.29Å; F53-T87 HydrophobicContact CD1-CG2 3.83Å; F53-T87 HydrophobicContact CD2-CG2 4.02Å; F53-T87 HydrophobicContact CE1-CG2 4.07Å; F53-T87 HydrophobicContact CE2-CG2 4.23Å; F53-T87 HydrophobicContact CG-CG2 3.79Å; F53-T87 HydrophobicContact CZ-CG2 4.25Å; T87-R98 WeakPolarHBondContact O-CD 3.38Å; T87-R98 PolarHBondContact O-NH1 2.92Å
88G87.7Confident89.2Confident43 Ų4371.8 Ų71.844%0.44343%0.432SS..  trans-69.9-176.9172.200000112.1R98G88-R98 WeakPolarHBondContact O-CD 3.33Å
89G89.8Confident89.3Confident42 Ų4271.5 Ų71.543%0.43343%0.432SS..SBendtrans92.5154.8177.800000113.8R98G89-R98 PolarHBondContact O-NH1 3.48Å
90R91.6Very high89.5Confident110 Ų11067.3 Ų67.342%0.41541%0.411SS..  trans-71.6148.2174.464.6-176.9175.7-150-3.4110.3R98 C99 D116 L118R90-R98 CarbonylContact O-C 3.58Å; R90-R98 WeakPolarHBondContact O-CA 3.34Å; R90-C99 HydrophobicContact CG-CB 4.03Å; R90-C99 WeakPolarHBondContact CG-SG 3.45Å; R90-C99 PolarHBondContact O-N 2.94Å; R90-D116 PolarHBondContact NE-O 2.93Å; R90-D116 PolarHBondContact NH2-O 3.43Å; R90-L118 PolarHBondContact NH2-O 2.95Å
91P93.7Very high89.7Confident105 Ų10559.5 Ų59.568%0.68238%0.382SS*.BIsolated β-bridgetrans-61.4147173.827.9-34.8000110.8G97P91-G97 WeakPolarHBondContact CA-O 3.03Å
92C94.3Very high89.9Confident11 Ų1159.3 Ų59.37%0.07439%0.385CS..  trans-150.7160.2178.551.80000110.4G97 R98 C99 C105C92-G97 PolarHBondContact N-O 3.46Å; C92-G97 VanDerWaalsContact N-O 3.1Å; C92-R98 WeakPolarHBondContact SG-CA 3.03Å; C92-R98 PolarHBondContact SG-N 2.04Å; C92-C99 PolarHBondContact SG-N 3.06Å; C92-C105 HydrophobicContact CB-CB 3.85Å; C92-C105 WeakPolarHBondContact CB-SG 3.34Å; C92-C105 PolarHBondContact O-SG 3.48Å; C92-C105 VanDerWaalsContact SG-CA 3.51Å; C92-C105 WeakPolarHBondContact SG-CB 3.04Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 2.03Å
93G88.4Confident90.3Very high50 Ų5054.8 Ų54.852%0.51536%0.357SS..SBendtrans68.5-165.2-175.900000115.3
94S75.8Confident90.8Very high114 Ų11453.2 Ų53.280%0.79735%0.347SS*.SBendtrans-86.2-22.6177.342.10000113.9
95D78.5Confident91.1Very high113 Ų11349.7 Ų49.760%0.60433%0.325SS*.SBendtrans-104.8-169.1-169-64.4-68.8000111.8G97D95-G97 PolarHBondContact O-N 2.91Å
96A86.6Confident91.3Very high94 Ų9447.8 Ų47.878%0.77731%0.312SS*.SBendtrans-68.926.4174.300000113.7
97G93.4Very high91.5Very high3 Ų345.2 Ų45.23%0.03130%0.301CS..  trans-70.2149.1-177.700000112.6P91 C92 D95 C106P91-G97 WeakPolarHBondContact CA-O 3.03Å; C92-G97 PolarHBondContact N-O 3.46Å; C92-G97 VanDerWaalsContact N-O 3.1Å; D95-G97 PolarHBondContact O-N 2.91Å; G97-C106 CarbonylContact C-O 3.34Å; G97-C106 WeakPolarHBondContact CA-O 3.39Å
98R94.9Very high91.6Very high65 Ų6547 Ų4725%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-136.3144.5176.8-67.7-169.6172.4-130-14111.2F53 T87 G88 G89 R90 C92 A100 C106F53-R98 HydrophobicContact CE1-CB 4.01Å; T87-R98 WeakPolarHBondContact O-CD 3.38Å; T87-R98 PolarHBondContact O-NH1 2.92Å; G88-R98 WeakPolarHBondContact O-CD 3.33Å; G89-R98 PolarHBondContact O-NH1 3.48Å; R90-R98 CarbonylContact O-C 3.58Å; R90-R98 WeakPolarHBondContact O-CA 3.34Å; C92-R98 WeakPolarHBondContact SG-CA 3.03Å; C92-R98 PolarHBondContact SG-N 2.04Å; R98-A100 PolarHBondContact O-N 3Å; R98-A100 VanDerWaalsContact O-N 3.09Å; R98-C106 PolarHBondContact N-O 3.34Å; R98-C106 PolarHBondContact O-N 2.77Å
99C95.4Very high91.8Very high20 Ų2051.8 Ų51.814%0.13533%0.325CS..EExtended strand (participates in β ladder)trans-65.1112.9176.9-660000109.6R90 C92 V104 C117R90-C99 HydrophobicContact CG-CB 4.03Å; R90-C99 WeakPolarHBondContact CG-SG 3.45Å; R90-C99 PolarHBondContact O-N 2.94Å; C92-C99 PolarHBondContact SG-N 3.06Å; C99-V104 WeakPolarHBondContact CA-O 3.47Å; C99-C117 WeakPolarHBondContact CA-SG 3.28Å; C99-C117 HydrophobicContact CB-CB 3.66Å; C99-C117 WeakPolarHBondContact CB-SG 3.07Å; C99-C117 WeakPolarHBondContact SG-CA 3.33Å; C99-C117 WeakPolarHBondContact SG-CB 3.04Å; C99-C117 CovalentContact SG-SG 2.04Å; C99-C117 PolarHBondContact SG-SG 2.61Å
100A95.4Very high92Very high7 Ų752.2 Ų52.26%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-102-29-169.300000112.5F53 C59 R98 V104 C106F53-A100 HydrophobicContact CD1-CB 3.88Å; F53-A100 HydrophobicContact CD2-CB 4.13Å; F53-A100 HydrophobicContact CE1-CB 3.5Å; F53-A100 VanDerWaalsContact CE1-CB 3.5Å; F53-A100 HydrophobicContact CE2-CB 3.8Å; F53-A100 HydrophobicContact CG-CB 4.2Å; F53-A100 HydrophobicContact CZ-CB 3.47Å; F53-A100 VanDerWaalsContact CZ-CB 3.47Å; C59-A100 HydrophobicContact CB-CB 3.52Å; C59-A100 VanDerWaalsContact SG-CB 3.59Å; R98-A100 PolarHBondContact O-N 3Å; R98-A100 VanDerWaalsContact O-N 3.09Å; A100-V104 PolarHBondContact N-O 2.94Å; A100-C106 HydrophobicContact CB-CB 3.86Å; A100-C106 VanDerWaalsContact CB-SG 3.52Å
101A95Very high92.1Very high7 Ų748.3 Ų48.36%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-152.8168.3173.600000109G103 V104A101-G103 PolarHBondContact O-N 2.92Å; A101-V104 HydrophobicContact CB-CB 4.24Å; A101-V104 HydrophobicContact CB-CG2 4.3Å; A101-V104 PolarHBondContact O-N 2.89Å
102P94.3Very high92.2Very high70 Ų7047.2 Ų47.246%0.45530%0.295SS..THydrogen-bonded Turntrans-54.4116.5178.8-27.335.7000111.9E61 V104E61-P102 WeakPolarHBondContact O-CD 2.99Å; P102-V104 VanDerWaalsContact C-N 3.31Å; P102-V104 PolarHBondContact O-N 2.04Å
103G94.4Very high92.2Very high9 Ų953.8 Ų53.89%0.09333%0.329CS..THydrogen-bonded Turntrans75.412.6-179.600000115.4A101 L113 D114 C117A101-G103 PolarHBondContact O-N 2.92Å; G103-L113 CarbonylContact O-C 3.55Å; G103-L113 WeakPolarHBondContact O-CA 3.47Å; G103-D114 CarbonylContact C-O 3.51Å; G103-D114 VanDerWaalsContact CA-O 3.28Å; G103-D114 WeakPolarHBondContact CA-O 3.41Å; G103-D114 PolarHBondContact O-N 3.27Å; G103-C117 VanDerWaalsContact N-C 3.28Å; G103-C117 PolarHBondContact N-O 3.09Å
104V95.3Very high92.5Very high25 Ų2552.2 Ų52.215%0.15231%0.309CS..EExtended strand (participates in β ladder)trans-124.5121.8-178.8-1720000110.7C99 A100 A101 P102 C111 L113C99-V104 WeakPolarHBondContact CA-O 3.47Å; A100-V104 PolarHBondContact N-O 2.94Å; A101-V104 HydrophobicContact CB-CB 4.24Å; A101-V104 HydrophobicContact CB-CG2 4.3Å; A101-V104 PolarHBondContact O-N 2.89Å; P102-V104 VanDerWaalsContact C-N 3.31Å; P102-V104 PolarHBondContact O-N 2.04Å; V104-C111 HydrophobicContact CG1-CB 4.01Å; V104-L113 HydrophobicContact CG2-CD2 4.11Å
105C95.7Very high93.3Very high0 Ų051.2 Ų51.20%030%0.3CS..EExtended strand (participates in β ladder)trans-101132.1171.1-172.50000109.7C92 C111 F112 D114C92-C105 HydrophobicContact CB-CB 3.85Å; C92-C105 WeakPolarHBondContact CB-SG 3.34Å; C92-C105 PolarHBondContact O-SG 3.48Å; C92-C105 VanDerWaalsContact SG-CA 3.51Å; C92-C105 WeakPolarHBondContact SG-CB 3.04Å; C92-C105 CovalentContact SG-SG 2.02Å; C92-C105 PolarHBondContact SG-SG 2.03Å; C105-C111 CarbonylContact O-C 3.56Å; C105-C111 VanDerWaalsContact O-CA 3.22Å; C105-C111 WeakPolarHBondContact O-CA 3.05Å; C105-F112 HydrophobicContact CB-CD2 4.04Å; C105-F112 HydrophobicContact CB-CE1 4.11Å; C105-F112 HydrophobicContact CB-CE2 3.54Å; C105-F112 HydrophobicContact CB-CZ 3.58Å; C105-F112 PolarHBondContact N-O 2.82Å; C105-F112 PolarHBondContact O-N 2.02Å; C105-F112 WeakPolarHBondContact SG-CZ 3.22Å; C105-D114 HydrophobicContact CB-CB 3.65Å
106C95.8Very high93.9Very high1 Ų151.5 Ų51.51%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-131.6142.1178.5-60.70000112.3F53 C59 C65 G97 R98 A100 S110 C111F53-C106 HydrophobicContact CB-CB 4.33Å; F53-C106 HydrophobicContact CD1-CB 3.95Å; F53-C106 HydrophobicContact CG-CB 4.3Å; C59-C106 VanDerWaalsContact SG-SG 3.61Å; C65-C106 VanDerWaalsContact SG-SG 3.68Å; G97-C106 CarbonylContact C-O 3.34Å; G97-C106 WeakPolarHBondContact CA-O 3.39Å; R98-C106 PolarHBondContact N-O 3.34Å; R98-C106 PolarHBondContact O-N 2.77Å; A100-C106 HydrophobicContact CB-CB 3.86Å; A100-C106 VanDerWaalsContact CB-SG 3.52Å; C106-S110 WeakPolarHBondContact CA-O 3.37Å; C106-C111 HydrophobicContact CB-CB 4.08Å; C106-C111 WeakPolarHBondContact CB-SG 3.38Å; C106-C111 WeakPolarHBondContact SG-CB 3.33Å; C106-C111 CovalentContact SG-SG 2.03Å; C106-C111 PolarHBondContact SG-SG 2.85Å
107D94Very high94.2Very high35 Ų3547.3 Ų47.319%0.18727%0.266CS..  trans-106.2-163.7161.961.748000110.2E109 S110D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 2.84Å; D107-E109 WeakPolarHBondContact OD1-CA 3.34Å; D107-E109 PolarHBondContact OD1-N 3.1Å; D107-S110 PolarHBondContact N-O 2.89Å; D107-S110 PolarHBondContact OD1-N 2.89Å; D107-S110 PolarHBondContact OD2-OG 3.48Å
108S92.7Very high94.1Very high62 Ų6252.1 Ų52.143%0.43429%0.291SS..SBendtrans-72.8-19.4-178.865.50000114.4F53 G54F53-S108 WeakPolarHBondContact O-CA 2.96Å; G54-S108 WeakPolarHBondContact CA-O 3.49Å
109E92.1Very high93Very high144 Ų14453.5 Ų53.567%0.67331%0.31SS*.SBendtrans-113.6-30.7-171.4-53.5-55.2121.800112.4D107D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 2.84Å; D107-E109 WeakPolarHBondContact OD1-CA 3.34Å; D107-E109 PolarHBondContact OD1-N 3.1Å
110S93.7Very high91Very high52 Ų5260.9 Ų60.936%0.36434%0.343SS..  trans-149.8162.2-170.576.30000113.8C106 D107C106-S110 WeakPolarHBondContact CA-O 3.37Å; D107-S110 PolarHBondContact N-O 2.89Å; D107-S110 PolarHBondContact OD1-N 2.89Å; D107-S110 PolarHBondContact OD2-OG 3.48Å
111C95.3Very high88.9Confident28 Ų2865.8 Ų65.819%0.18938%0.376CS..EExtended strand (participates in β ladder)trans-129.9144.2172-62.50000110.1M67 V104 C105 C106M67-C111 HydrophobicContact CE-CB 4.12Å; M67-C111 HydrophobicContact SD-CB 4.1Å; V104-C111 HydrophobicContact CG1-CB 4.01Å; C105-C111 CarbonylContact O-C 3.56Å; C105-C111 VanDerWaalsContact O-CA 3.22Å; C105-C111 WeakPolarHBondContact O-CA 3.05Å; C106-C111 HydrophobicContact CB-CB 4.08Å; C106-C111 WeakPolarHBondContact CB-SG 3.38Å; C106-C111 WeakPolarHBondContact SG-CB 3.33Å; C106-C111 CovalentContact SG-SG 2.03Å; C106-C111 PolarHBondContact SG-SG 2.85Å
112F95Very high86.7Confident81 Ų8173.6 Ų73.636%0.35541%0.412SS..EExtended strand (participates in β ladder)trans-135.6159.9173.755.8-88000110.5C105 D114C105-F112 HydrophobicContact CB-CD2 4.04Å; C105-F112 HydrophobicContact CB-CE1 4.11Å; C105-F112 HydrophobicContact CB-CE2 3.54Å; C105-F112 HydrophobicContact CB-CZ 3.58Å; C105-F112 PolarHBondContact N-O 2.82Å; C105-F112 PolarHBondContact O-N 2.02Å; C105-F112 WeakPolarHBondContact SG-CZ 3.22Å; F112-D114 HydrophobicContact CD2-CB 4.22Å; F112-D114 HydrophobicContact CE2-CB 4.02Å
113L94.6Very high84.1Confident150 Ų15081.7 Ų81.779%0.78544%0.435SS*.EExtended strand (participates in β ladder)trans-75.3127.8174.8-61.4179.4000109G103 V104G103-L113 CarbonylContact O-C 3.55Å; G103-L113 WeakPolarHBondContact O-CA 3.47Å; V104-L113 HydrophobicContact CG2-CD2 4.11Å
114D94.2Very high81.7Confident16 Ų1690.2 Ų90.29%0.08647%0.472CS..  trans-135.1113.3179.6-167.7-23.8000109.2G103 C105 F112 D116 C117G103-D114 CarbonylContact C-O 3.51Å; G103-D114 VanDerWaalsContact CA-O 3.28Å; G103-D114 WeakPolarHBondContact CA-O 3.41Å; G103-D114 PolarHBondContact O-N 3.27Å; C105-D114 HydrophobicContact CB-CB 3.65Å; F112-D114 HydrophobicContact CD2-CB 4.22Å; F112-D114 HydrophobicContact CE2-CB 4.02Å; D114-D116 PolarHBondContact O-N 3.48Å; D114-D116 VanDerWaalsContact OD1-CB 3.26Å; D114-D116 WeakPolarHBondContact OD1-CB 3.33Å; D114-D116 PolarHBondContact OD1-N 3.05Å; D114-C117 HydrophobicContact CB-CB 4.49Å; D114-C117 WeakPolarHBondContact O-CB 3.38Å; D114-C117 PolarHBondContact O-N 2.89Å
115P92.4Very high79.4Confident93 Ų9394.5 Ų94.560%0.60450%0.503SS*.G310 helixtrans-62.1-24.2178.328.3-35.3000112.2C117 L118P115-C117 PolarHBondContact O-N 3.19Å; P115-C117 VanDerWaalsContact O-N 3.12Å; P115-L118 HydrophobicContact CB-CD1 4.31Å; P115-L118 WeakPolarHBondContact O-CB 3.26Å; P115-L118 PolarHBondContact O-N 2.91Å
116D91.6Very high77.4Confident119 Ų11999.6 Ų99.664%0.63654%0.536SS*.G310 helixtrans-70-4.9174.6-62.6-22.8000111.8R90 D114R90-D116 PolarHBondContact NE-O 2.93Å; R90-D116 PolarHBondContact NH2-O 3.43Å; D114-D116 PolarHBondContact O-N 3.48Å; D114-D116 VanDerWaalsContact OD1-CB 3.26Å; D114-D116 WeakPolarHBondContact OD1-CB 3.33Å; D114-D116 PolarHBondContact OD1-N 3.05Å
117C93.3Very high74.8Confident7 Ų7103.8 Ų103.85%0.04757%0.571CS.*G310 helixtrans-99.70169.4-66.40000113.6C99 G103 D114 P115 S119C99-C117 WeakPolarHBondContact CA-SG 3.28Å; C99-C117 HydrophobicContact CB-CB 3.66Å; C99-C117 WeakPolarHBondContact CB-SG 3.07Å; C99-C117 WeakPolarHBondContact SG-CA 3.33Å; C99-C117 WeakPolarHBondContact SG-CB 3.04Å; C99-C117 CovalentContact SG-SG 2.04Å; C99-C117 PolarHBondContact SG-SG 2.61Å; G103-C117 VanDerWaalsContact N-C 3.28Å; G103-C117 PolarHBondContact N-O 3.09Å; D114-C117 HydrophobicContact CB-CB 4.49Å; D114-C117 WeakPolarHBondContact O-CB 3.38Å; D114-C117 PolarHBondContact O-N 2.89Å; P115-C117 PolarHBondContact O-N 3.19Å; P115-C117 VanDerWaalsContact O-N 3.12Å; C117-S119 PolarHBondContact O-N 2.88Å
118L91.1Very high72Confident103 Ų103110.2 Ų110.254%0.53961%0.605SS.*SBendtrans-72.1127.9169.4-66167.5000108.4R90 P115 E120R90-L118 PolarHBondContact NH2-O 2.95Å; P115-L118 HydrophobicContact CB-CD1 4.31Å; P115-L118 WeakPolarHBondContact O-CB 3.26Å; P115-L118 PolarHBondContact O-N 2.91Å; L118-E120 PolarHBondContact O-N 3.22Å
119S71.9Confident69.8Low94 Ų94116.1 Ų116.166%0.65763%0.626SS**  trans-63.6109.6-175.355.60000111.1C117C117-S119 PolarHBondContact O-N 2.88Å
120E53.4Low67.6Low176 Ų176115 Ų11582%0.82263%0.633SS**  -83.7109.2127.9-70.1-159.8132.700105.8L118L118-E120 PolarHBondContact O-N 3.22Å
121S51.2Low65Low109 Ų109117.1 Ų117.176%0.76265%0.654SS**SBendtrans-45139.8177.744.20000112.6
122Q48.4Very low62.5Low172 Ų172119.8 Ų119.880%0.80469%0.687SS**  trans109.176.4159.5-156.616834.700116.5
123Y40.6Very low59.7Low240 Ų240120.2 Ų120.294%0.94171%0.705SS**  trans-138.582.7136.7-86.6-78.7000109.2
124H43.1Very low57.7Low187 Ų187120.1 Ų120.187%0.86671%0.711SS**  trans-61.4127.8154.3-101.1-10.4000108.9
125S47.9Very low55.4Low116 Ų116124.5 Ų124.581%0.81174%0.743SS**  trans-173.6156143.2-89.10000108.5
126P52.6Low53.4Low106 Ų106126.6 Ų126.669%0.68875%0.749SS**  cis-142.6139.816.733.8-13000115.5
127A41.2Very low52.1Low89 Ų89124.1 Ų124.174%0.73674%0.741SS**  trans173.394.1146.800000110.3
128D35.9Very low50.6Low170 Ų170129 Ų12991%0.90977%0.772SS**  trans-150.593.9145.9-95.5-28.9000107.7S130D128-S130 PolarHBondContact O-N 3.12Å
129H45.6Very low49.3Very low187 Ų187125.9 Ų125.987%0.86677%0.766SS**  trans-73.7112.1159.1-78.8-80.4000107.5
130S47.2Very low49.2Very low119 Ų119127 Ų12783%0.83276%0.761SS**  170.6152.711541.70000114.4D128D128-S130 PolarHBondContact O-N 3.12Å
131A37.7Very low50Low97 Ų97123.3 Ų123.380%0.80275%0.746SS**  trans79.895.2166.500000117.6
132G43.5Very low51Low85 Ų85123.2 Ų123.288%0.87674%0.736SS**  trans-60.6135.2150.500000110.8
133A37.2Very low52.1Low89 Ų89120.2 Ų120.274%0.73673%0.725SS**  trans-157.1102.2154.900000107.8S135A133-S135 PolarHBondContact O-N 2.94Å
134T51.4Low53.6Low149 Ų149116.9 Ų116.991%0.91471%0.711SS**  trans-54.7114.4161.346.50000109
135S45.6Very low55Low108 Ų108113.1 Ų113.176%0.75570%0.697SS**  trans-130.684160.3540000107.8A133 S137A133-S135 PolarHBondContact O-N 2.94Å; S135-S137 PolarHBondContact O-N 3.06Å
136D50.7Low56.2Low137 Ų137112.3 Ų112.373%0.73368%0.683SS**  trans-62.9104170.1-163.918.8000107.3
137S65.1Low57Low67 Ų67113.5 Ų113.547%0.46968%0.679SS.*  trans-87.1128.6-177.8178.90000109.1S135 G139 E140S135-S137 PolarHBondContact O-N 3.06Å; S137-G139 PolarHBondContact O-N 3.03Å; S137-E140 PolarHBondContact O-N 2.93Å
138P60.5Low58.3Low108 Ų108117.1 Ų117.170%0.70168%0.678SS**Hα-helixtrans-60.3-15.5-176.223.6-33.5000113.7L142P138-L142 PolarHBondContact O-N 3.42Å
139G65.4Low59.5Low39 Ų39112.3 Ų112.340%0.40266%0.662SS.*Hα-helixtrans-71.2-30.4175.400000114.4S137 L142 L143S137-G139 PolarHBondContact O-N 3.03Å; G139-L142 PolarHBondContact O-N 3.13Å; G139-L143 PolarHBondContact O-N 3.5Å; G139-L143 VanDerWaalsContact O-N 3.13Å
140E69.1Low60.2Low118 Ų118108.6 Ų108.655%0.55165%0.653SS**Hα-helixtrans-78.3-35.6-175.8-147.6-173.8158.100111.7S137 L142 L143 R144S137-E140 PolarHBondContact O-N 2.93Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L143 PolarHBondContact O-N 3.12Å; E140-R144 PolarHBondContact O-N 3.45Å; E140-R144 VanDerWaalsContact O-N 3.12Å
141L70.4Confident60.7Low98 Ų98113.7 Ų113.751%0.51365%0.654SS.*Hα-helixtrans-67.5-35.7173.5-157.8149.4000111.2R144 L145L141-R144 PolarHBondContact O-N 3.4Å; L141-L145 HydrophobicContact CD2-CD1 3.64Å; L141-L145 HydrophobicContact CD2-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CG 3.39Å; L141-L145 PolarHBondContact O-N 3.36Å
142L71.7Confident61.6Low107 Ų107112.3 Ų112.356%0.5665%0.649SS**Hα-helixtrans-69.3-38.6177.2-150.6134.5000111.9P138 G139 E140 L145 L146P138-L142 PolarHBondContact O-N 3.42Å; G139-L142 PolarHBondContact O-N 3.13Å; E140-L142 VanDerWaalsContact C-N 3.33Å; L142-L145 PolarHBondContact O-N 3.38Å; L142-L146 HydrophobicContact CD2-CD1 3.94Å; L142-L146 HydrophobicContact CD2-CG 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.32Å
143L71.3Confident62.2Low109 Ų109117.1 Ų117.157%0.57165%0.648SS**Hα-helixtrans-63-43.3172.3-11682.5000111.9G139 E140 L145 L146 H147G139-L143 PolarHBondContact O-N 3.5Å; G139-L143 VanDerWaalsContact O-N 3.13Å; E140-L143 PolarHBondContact O-N 3.12Å; L143-L145 VanDerWaalsContact C-N 3.35Å; L143-L145 PolarHBondContact O-N 3.01Å; L143-L146 PolarHBondContact O-N 3.16Å; L143-H147 PolarHBondContact O-CD2 3.02Å; L143-H147 PolarHBondContact O-N 3.46Å
144R73.5Confident62.9Low169 Ų169118 Ų11864%0.63865%0.65SS**Hα-helixtrans-62.1-41.5176.9-76.3-174.7174.2172.32.9112E140 L141 H147 F148E140-R144 PolarHBondContact O-N 3.45Å; E140-R144 VanDerWaalsContact O-N 3.12Å; L141-R144 PolarHBondContact O-N 3.4Å; R144-H147 PolarHBondContact O-N 3.02Å; R144-F148 WeakPolarHBondContact O-CD2 3.46Å; R144-F148 PolarHBondContact O-N 3.14Å; R144-F148 VanDerWaalsContact O-N 3.14Å
145L72.5Confident62.8Low109 Ų109119.8 Ų119.857%0.57165%0.647SS**Hα-helixtrans-65.7-40176.6-74.9170.1000112.5L141 L142 L143 H147 F148 A149L141-L145 HydrophobicContact CD2-CD1 3.64Å; L141-L145 HydrophobicContact CD2-CG 4.23Å; L141-L145 WeakPolarHBondContact O-CG 3.39Å; L141-L145 PolarHBondContact O-N 3.36Å; L142-L145 PolarHBondContact O-N 3.38Å; L143-L145 VanDerWaalsContact C-N 3.35Å; L143-L145 PolarHBondContact O-N 3.01Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 3.01Å; L145-F148 PolarHBondContact O-N 3.24Å; L145-A149 PolarHBondContact O-N 3.47Å
146L71.8Confident62.6Low98 Ų98129.4 Ų129.451%0.51367%0.669SS.*Hα-helixtrans-63.9-38.2175.5-71.8173000112.1L142 L143 F148 A149 T150L142-L146 HydrophobicContact CD2-CD1 3.94Å; L142-L146 HydrophobicContact CD2-CG 4.43Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.32Å; L143-L146 PolarHBondContact O-N 3.16Å; L146-F148 VanDerWaalsContact C-N 3.32Å; L146-F148 PolarHBondContact O-N 3.2Å; L146-A149 PolarHBondContact O-N 3.38Å; L146-T150 WeakPolarHBondContact O-CG2 3.43Å; L146-T150 PolarHBondContact O-N 3.25Å; L146-T150 PolarHBondContact O-OG1 3.19Å
147H70.9Confident63.2Low131 Ų131129.1 Ų129.161%0.60667%0.666SS**Hα-helixtrans-67-30.4175.3-84.3-120.5000113.4L143 R144 L145 T150L143-H147 PolarHBondContact O-CD2 3.02Å; L143-H147 PolarHBondContact O-N 3.46Å; R144-H147 PolarHBondContact O-N 3.02Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 3.01Å; H147-T150 PolarHBondContact O-OG1 3.46Å
148F66.8Low63.1Low165 Ų165132.3 Ų132.372%0.72468%0.677SS**Hα-helixtrans-76.9-35.7174.5-92.7-79.9000112.4R144 L145 L146 R151R144-F148 WeakPolarHBondContact O-CD2 3.46Å; R144-F148 PolarHBondContact O-N 3.14Å; R144-F148 VanDerWaalsContact O-N 3.14Å; L145-F148 PolarHBondContact O-N 3.24Å; L146-F148 VanDerWaalsContact C-N 3.32Å; L146-F148 PolarHBondContact O-N 3.2Å; F148-R151 PolarHBondContact O-N 3.49Å
149A62.5Low63.2Low70 Ų70133.7 Ų133.758%0.57968%0.675SS**Hα-helixtrans-69-33.617900000113L145 L146 R151L145-A149 PolarHBondContact O-N 3.47Å; L146-A149 PolarHBondContact O-N 3.38Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.48Å
150T60.2Low63.1Low108 Ų108139.2 Ų139.266%0.66369%0.691SS**Hα-helixtrans-76.4-18.6179.751.80000113.7L146 H147 G152L146-T150 WeakPolarHBondContact O-CG2 3.43Å; L146-T150 PolarHBondContact O-N 3.25Å; L146-T150 PolarHBondContact O-OG1 3.19Å; H147-T150 PolarHBondContact O-OG1 3.46Å; T150-G152 VanDerWaalsContact C-N 3.3Å; T150-G152 PolarHBondContact O-N 3.47Å
151R57.9Low62.7Low227 Ų227140.6 Ų140.686%0.85770%0.7SS**THydrogen-bonded Turntrans-82.7-4.3-179.7-146.2173.3176.8168.6-0.8113.8F148 A149F148-R151 PolarHBondContact O-N 3.49Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.48Å
152G55.4Low62.2Low67 Ų67143.4 Ų143.469%0.69171%0.712SS**THydrogen-bonded Turntrans-1058.4-175.900000116.7T150T150-G152 VanDerWaalsContact C-N 3.3Å; T150-G152 PolarHBondContact O-N 3.47Å
153Q55.5Low61.5Low186 Ų186146 Ų14687%0.86972%0.723SS**  trans-114.822.4-175.9-92.8-162.1-25.800115.8
154S53.3Low60.8Low109 Ų109148.8 Ų148.876%0.76274%0.735SS**  trans-120.163.4173.8-172.40000111.6
155E48.1Very low59.7Low186 Ų186147.2 Ų147.287%0.86974%0.743SS**  trans-147.786160-78.7-74.3102.200108.1
156Y41.3Very low58.5Low310 Ų310150.6 Ų150.6100%1.21676%0.759SS**  trans-159.40144.8-127.3-82.3000110.1

Retrieved 156 of 156 residues in 371.8 ms (Link to these results)