X2JD42_DROME Loading...

Secreted protein

AlphaFold DB , UniProt , Accession X2JD42, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG45081, Length 92 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
1M59.7Low74.2Confident206 Ų206121.3 Ų121.3100%1.01563%0.625SS**  0-11.10-69.5175.875.200114.7S4M1-S4 PolarHBondContact O-OG 2Å
2I61.7Low75.1Confident148 Ų148118.1 Ų118.176%0.75962%0.615SS**Hα-helixtrans-78.5-42.7-178.5-68142.1000112.1S4 R5 S6I2-S4 PolarHBondContact O-N 2.92Å; I2-R5 WeakPolarHBondContact O-CB 3.2Å; I2-R5 PolarHBondContact O-N 2.82Å; I2-R5 VanDerWaalsContact O-N 3.17Å; I2-S6 PolarHBondContact O-N 3.06Å; I2-S6 PolarHBondContact O-OG 3.08Å
3L65.4Low75.7Confident142 Ų142114.8 Ų114.874%0.74360%0.603SS**Hα-helixtrans-60.6-39.2178.5-101.8103.1000113.9R5 S6 L7L3-R5 VanDerWaalsContact C-N 3.26Å; L3-R5 PolarHBondContact O-N 3.4Å; L3-S6 WeakPolarHBondContact CA-OG 3.48Å; L3-S6 PolarHBondContact O-N 3.38Å; L3-S6 PolarHBondContact O-OG 2.93Å; L3-L7 PolarHBondContact O-N 3.23Å; L3-L7 VanDerWaalsContact O-N 3.11Å
4S70.4Confident76.2Confident70 Ų70113.8 Ų113.849%0.4960%0.598SS.*Hα-helixtrans-67.1-31.517951.20000112M1 I2 L8M1-S4 PolarHBondContact O-OG 2Å; I2-S4 PolarHBondContact O-N 2.92Å; S4-L8 PolarHBondContact O-N 3.05Å
5R72Confident76.1Confident193 Ų193110.3 Ų110.373%0.72859%0.591SS**Hα-helixtrans-72.3-41.8178.5-122.6178.7163.2-172.8-5.9111.4I2 L3 L8 I9I2-R5 WeakPolarHBondContact O-CB 3.2Å; I2-R5 PolarHBondContact O-N 2.82Å; I2-R5 VanDerWaalsContact O-N 3.17Å; L3-R5 VanDerWaalsContact C-N 3.26Å; L3-R5 PolarHBondContact O-N 3.4Å; R5-L8 PolarHBondContact O-N 3.3Å; R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.1Å; R5-I9 PolarHBondContact O-N 3.36Å
6S76.6Confident76Confident52 Ų52110.8 Ų110.836%0.36459%0.593SS.*Hα-helixtrans-67.1-37.4175.722.70000112.4I2 L3 L8 I9 I10I2-S6 PolarHBondContact O-N 3.06Å; I2-S6 PolarHBondContact O-OG 3.08Å; L3-S6 WeakPolarHBondContact CA-OG 3.48Å; L3-S6 PolarHBondContact O-N 3.38Å; L3-S6 PolarHBondContact O-OG 2.93Å; S6-L8 PolarHBondContact O-N 3.06Å; S6-I9 PolarHBondContact O-N 3.36Å; S6-I10 WeakPolarHBondContact O-CG1 3.08Å; S6-I10 PolarHBondContact O-N 2.87Å
7L79.4Confident75.7Confident110 Ų110112.4 Ų112.458%0.57660%0.6SS**Hα-helixtrans-60-45174.6-109.5144.1000112.4L3 I9 I10 T11L3-L7 PolarHBondContact O-N 3.23Å; L3-L7 VanDerWaalsContact O-N 3.11Å; L7-I9 VanDerWaalsContact C-N 3.35Å; L7-I9 PolarHBondContact O-N 2.75Å; L7-I10 PolarHBondContact O-N 3Å; L7-T11 PolarHBondContact O-N 2.79Å; L7-T11 PolarHBondContact O-OG1 2Å
8L82.2Confident75.2Confident115 Ų115113.2 Ų113.260%0.60260%0.604SS**Hα-helixtrans-59.9-43.6176.1-92.6164.8000112.3S4 R5 S6 I10 T11 V12S4-L8 PolarHBondContact O-N 3.05Å; R5-L8 PolarHBondContact O-N 3.3Å; S6-L8 PolarHBondContact O-N 3.06Å; L8-I10 PolarHBondContact O-N 3.3Å; L8-T11 WeakPolarHBondContact CA-OG1 3.31Å; L8-T11 PolarHBondContact O-N 3.34Å; L8-T11 PolarHBondContact O-OG1 1.94Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 2.76Å
9I82.7Confident74.2Confident110 Ų110110 Ų11056%0.56460%0.595SS**Hα-helixtrans-62.7-44.9179.2-63.5164.5000110.4R5 S6 L7 T11 V12 V13R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.1Å; R5-I9 PolarHBondContact O-N 3.36Å; S6-I9 PolarHBondContact O-N 3.36Å; L7-I9 VanDerWaalsContact C-N 3.35Å; L7-I9 PolarHBondContact O-N 2.75Å; I9-T11 VanDerWaalsContact C-N 3.35Å; I9-T11 PolarHBondContact O-N 3.12Å; I9-V12 PolarHBondContact O-N 2.81Å; I9-V13 HydrophobicContact CG2-CG2 4.43Å; I9-V13 WeakPolarHBondContact O-CG2 3.46Å; I9-V13 PolarHBondContact O-N 2.81Å
10I83.2Confident73Confident114 Ų114110.5 Ų110.559%0.58560%0.604SS**Hα-helixtrans-62.3-42.9178.6-67.1165.3000110.8S6 L7 L8 V12 V13 L14S6-I10 WeakPolarHBondContact O-CG1 3.08Å; S6-I10 PolarHBondContact O-N 2.87Å; L7-I10 PolarHBondContact O-N 3Å; L8-I10 PolarHBondContact O-N 3.3Å; I10-V12 PolarHBondContact O-N 3.45Å; I10-V13 PolarHBondContact O-N 3.23Å; I10-L14 WeakPolarHBondContact O-CB 3.08Å; I10-L14 PolarHBondContact O-N 3.47Å
11T83.2Confident71.8Confident74 Ų74113.3 Ų113.345%0.45462%0.615SS.*Hα-helixtrans-63.9-38.1177.947.30000113.2L7 L8 I9 A15L7-T11 PolarHBondContact O-N 2.79Å; L7-T11 PolarHBondContact O-OG1 2Å; L8-T11 WeakPolarHBondContact CA-OG1 3.31Å; L8-T11 PolarHBondContact O-N 3.34Å; L8-T11 PolarHBondContact O-OG1 1.94Å; I9-T11 VanDerWaalsContact C-N 3.35Å; I9-T11 PolarHBondContact O-N 3.12Å; T11-A15 WeakPolarHBondContact O-CB 3.28Å; T11-A15 PolarHBondContact O-N 3.47Å
12V84.4Confident71.4Confident83 Ų83108.2 Ų108.250%0.50360%0.597SS.*Hα-helixtrans-68.5-44.2177.2171.50000111L8 I9 I10 L14 A15 I16L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 2.76Å; I9-V12 PolarHBondContact O-N 2.81Å; I10-V12 PolarHBondContact O-N 3.45Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 2.89Å; V12-A15 PolarHBondContact O-N 2.74Å; V12-I16 HydrophobicContact CG1-CD1 3.93Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.45Å
13V82.7Confident70.9Confident75 Ų75106.7 Ų106.746%0.45560%0.595SS.*Hα-helixtrans-62.2-42.8177.2172.10000110.9I9 I10 A15 I16 L17I9-V13 HydrophobicContact CG2-CG2 4.43Å; I9-V13 WeakPolarHBondContact O-CG2 3.46Å; I9-V13 PolarHBondContact O-N 2.81Å; I10-V13 PolarHBondContact O-N 3.23Å; V13-A15 VanDerWaalsContact C-N 3.35Å; V13-A15 PolarHBondContact O-N 3.34Å; V13-I16 PolarHBondContact O-N 3.16Å; V13-L17 HydrophobicContact CG1-CD1 3.79Å; V13-L17 VanDerWaalsContact O-CD1 3.23Å; V13-L17 WeakPolarHBondContact O-CD1 3.27Å; V13-L17 PolarHBondContact O-N 3.4Å
14L82.6Confident70.2Confident101 Ų101102.7 Ų102.753%0.52957%0.574SS.*Hα-helixtrans-65.1-38.6177.6-163.570.4000111.9I10 V12 I16 L17 L18I10-L14 WeakPolarHBondContact O-CB 3.08Å; I10-L14 PolarHBondContact O-N 3.47Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 2.89Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-I16 PolarHBondContact O-N 2.72Å; L14-L17 PolarHBondContact O-N 3.29Å; L14-L18 HydrophobicContact CD2-CD1 4.41Å; L14-L18 HydrophobicContact CG-CD1 3.89Å; L14-L18 WeakPolarHBondContact O-CB 3.44Å; L14-L18 WeakPolarHBondContact O-CD1 2.85Å; L14-L18 WeakPolarHBondContact O-CG 3.21Å; L14-L18 PolarHBondContact O-N 2.04Å
15A75.2Confident69.3Low61 Ų61100.6 Ų100.650%0.50456%0.561SS.*Hα-helixtrans-65.1-35.7175.600000112.8T11 V12 V13 A19T11-A15 WeakPolarHBondContact O-CB 3.28Å; T11-A15 PolarHBondContact O-N 3.47Å; V12-A15 PolarHBondContact O-N 2.74Å; V13-A15 VanDerWaalsContact C-N 3.35Å; V13-A15 PolarHBondContact O-N 3.34Å; A15-A19 PolarHBondContact O-N 3.01Å
16I75.3Confident68.1Low119 Ų11998.7 Ų98.761%0.6156%0.56SS**Hα-helixtrans-71.3-39.3175.5-63.9162.8000111V12 V13 L14 L18 A19V12-I16 HydrophobicContact CG1-CD1 3.93Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.45Å; V13-I16 PolarHBondContact O-N 3.16Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-I16 PolarHBondContact O-N 2.72Å; I16-L18 VanDerWaalsContact C-N 3.33Å; I16-A19 WeakPolarHBondContact O-CB 3.04Å; I16-A19 PolarHBondContact O-N 3.29Å
17L69.6Low67Low137 Ų13797.3 Ų97.372%0.71755%0.548SS*.Hα-helixtrans-67.6-33.4176-96.190.1000112.9V13 L14V13-L17 HydrophobicContact CG1-CD1 3.79Å; V13-L17 VanDerWaalsContact O-CD1 3.23Å; V13-L17 WeakPolarHBondContact O-CD1 3.27Å; V13-L17 PolarHBondContact O-N 3.4Å; L14-L17 PolarHBondContact O-N 3.29Å
18L67.8Low65.9Low128 Ų12897.3 Ų97.367%0.6755%0.549SS*.Hα-helixtrans-85.1-10.3178.3-71.9164.8000113L14 I16 P20L14-L18 HydrophobicContact CD2-CD1 4.41Å; L14-L18 HydrophobicContact CG-CD1 3.89Å; L14-L18 WeakPolarHBondContact O-CB 3.44Å; L14-L18 WeakPolarHBondContact O-CD1 2.85Å; L14-L18 WeakPolarHBondContact O-CG 3.21Å; L14-L18 PolarHBondContact O-N 2.04Å; I16-L18 VanDerWaalsContact C-N 3.33Å; L18-P20 WeakPolarHBondContact O-CD 3.09Å; L18-P20 VanDerWaalsContact O-N 3.12Å
19A55.6Low64.4Low52 Ų5294.1 Ų94.143%0.4354%0.544SS..SBendtrans-62.1117.6174.700000107.9A15 I16 M21A15-A19 PolarHBondContact O-N 3.01Å; I16-A19 WeakPolarHBondContact O-CB 3.04Å; I16-A19 PolarHBondContact O-N 3.29Å; A19-M21 PolarHBondContact O-N 3.27Å
20P51.2Low63.2Low120 Ų12092.6 Ų92.678%0.77954%0.543SS*.  trans-61.2114.6-177.324.6-31.2000107.1L18L18-P20 WeakPolarHBondContact O-CD 3.09Å; L18-P20 VanDerWaalsContact O-N 3.12Å
21M47.9Very low62.3Low170 Ų17087.2 Ų87.284%0.83752%0.515SS*.  trans-51.6121.5172-67.5-130-178.600106.5A19 T23A19-M21 PolarHBondContact O-N 3.27Å; M21-T23 PolarHBondContact O-N 3.29Å
22P49.4Very low61.7Low98 Ų9887.8 Ų87.864%0.63651%0.512SS*.  trans-60.5121.9-177.425.8-32.3000106.2D24P22-D24 WeakPolarHBondContact CB-OD2 2.96Å; P22-D24 PolarHBondContact O-N 3.33Å
23T52.2Low61.3Low116 Ų11684 Ų8471%0.71249%0.49SS*.  trans-69.467.7173.549.70000108.2M21M21-T23 PolarHBondContact O-N 3.29Å
24D51.3Low61.1Low59 Ų5989.8 Ų89.832%0.31650%0.503SS..EExtended strand (participates in β ladder)trans-99.1112.3173.6-76.6-43.5000106.3P22 Q32P22-D24 WeakPolarHBondContact CB-OD2 2.96Å; P22-D24 PolarHBondContact O-N 3.33Å; D24-Q32 HydrophobicContact CB-CB 4.32Å; D24-Q32 HydrophobicContact CB-CG 4.32Å
25A50.1Low60.9Low25 Ų2587.9 Ų87.921%0.20749%0.494CS..EExtended strand (participates in β ladder)trans-96.5138.7170.100000110.3I27 G31 C33 L35A25-I27 PolarHBondContact O-N 2.83Å; A25-G31 VanDerWaalsContact O-O 3.13Å; A25-C33 PolarHBondContact N-O 3.16Å; A25-L35 HydrophobicContact CB-CD1 3.13Å; A25-L35 HydrophobicContact CB-CD2 3.89Å; A25-L35 HydrophobicContact CB-CG 3.35Å
26Q47.8Very low61.3Low154 Ų15487.5 Ų87.572%0.7249%0.485SS*.EExtended strand (participates in β ladder)trans-75107.1174-68.9174.1-6.100109.2G31Q26-G31 VanDerWaalsContact CA-O 3.26Å; Q26-G31 WeakPolarHBondContact CA-O 3.48Å
27I53.9Low61.9Low22 Ų2286.4 Ų86.411%0.11349%0.486CS..EExtended strand (participates in β ladder)trans-96.3120.4169.9-51.2-159.5000109.3A25 G29 G31 L35 C75 L87A25-I27 PolarHBondContact O-N 2.83Å; I27-G29 PolarHBondContact O-N 2.89Å; I27-G31 PolarHBondContact N-O 2.74Å; I27-L35 HydrophobicContact CD1-CD2 3.88Å; I27-L35 HydrophobicContact CG1-CD2 4.41Å; I27-C75 WeakPolarHBondContact CD1-SG 3.5Å; I27-L87 HydrophobicContact CG2-CB 3.79Å; I27-L87 HydrophobicContact CG2-CD1 3.86Å; I27-L87 HydrophobicContact CG2-CG 3.64Å
28L55Low62.8Low111 Ų11181.6 Ų81.658%0.58146%0.46SS*.THydrogen-bonded Turntrans47.452.1176.2-92.8149.4000115.7N85 L87L28-N85 HydrophobicContact CB-CB 4.26Å; L28-N85 WeakPolarHBondContact O-CB 3.35Å; L28-N85 PolarHBondContact O-ND2 3.25Å; L28-L87 HydrophobicContact CD1-CD1 3.64Å; L28-L87 HydrophobicContact CD1-CG 4.16Å
29G51.2Low64Low48 Ų4886 Ų8650%0.49547%0.468SS..THydrogen-bonded Turntrans93.276.5167.100000112.6I27I27-G29 PolarHBondContact O-N 2.89Å
30S57.9Low65.7Low78 Ų7883.8 Ų83.855%0.54545%0.449SS..THydrogen-bonded Turntrans90.8-4.1162.3-126.30000117.7
31G64.4Low67.8Low0 Ų082.1 Ų82.10%044%0.44CS..EExtended strand (participates in β ladder)trans-77.8136.7178.700000114.4A25 Q26 I27 S82 P84 C86A25-G31 VanDerWaalsContact O-O 3.13Å; Q26-G31 VanDerWaalsContact CA-O 3.26Å; Q26-G31 WeakPolarHBondContact CA-O 3.48Å; I27-G31 PolarHBondContact N-O 2.74Å; G31-S82 CarbonylContact C-O 3.56Å; G31-S82 WeakPolarHBondContact CA-O 3.45Å; G31-P84 PolarHBondContact N-O 3.3Å; G31-C86 WeakPolarHBondContact CA-SG 3.47Å
32Q70.9Confident70Confident86 Ų8676.7 Ų76.740%0.40242%0.423SS..EExtended strand (participates in β ladder)trans-100.1119.6180-68.5179.7-3100112.7D24 C80 R81 S82D24-Q32 HydrophobicContact CB-CB 4.32Å; D24-Q32 HydrophobicContact CB-CG 4.32Å; Q32-C80 VanDerWaalsContact C-SG 3.59Å; Q32-C80 CarbonylContact O-C 3.56Å; Q32-C80 VanDerWaalsContact O-CA 3.28Å; Q32-C80 WeakPolarHBondContact O-CA 3.05Å; Q32-C80 WeakPolarHBondContact O-CB 3.32Å; Q32-C80 PolarHBondContact O-SG 3.23Å; Q32-C80 VanDerWaalsContact O-SG 3.34Å; Q32-R81 PolarHBondContact O-N 3.04Å; Q32-S82 WeakPolarHBondContact CB-OG 2.68Å; Q32-S82 PolarHBondContact N-O 3.45Å; Q32-S82 PolarHBondContact OE1-OG 2.76Å
33C76.5Confident72.1Confident4 Ų474.7 Ų74.73%0.02742%0.42CS..EExtended strand (participates in β ladder)trans-141.2153.7178.5112.50000113.1A25 L35 C75 C80A25-C33 PolarHBondContact N-O 3.16Å; C33-L35 PolarHBondContact O-N 3.32Å; C33-C75 HydrophobicContact CB-CB 3.88Å; C33-C75 WeakPolarHBondContact CB-SG 3.36Å; C33-C75 VanDerWaalsContact SG-CA 3.54Å; C33-C75 WeakPolarHBondContact SG-CB 3.16Å; C33-C75 CovalentContact SG-SG 2Å; C33-C75 PolarHBondContact SG-SG 3.21Å; C33-C80 HydrophobicContact CB-CB 4.37Å; C33-C80 WeakPolarHBondContact CB-SG 3.09Å
34R77.1Confident74.1Confident197 Ų19770 Ų7074%0.74340%0.395SS*.EExtended strand (participates in β ladder)trans-76.6108.4166.4-173.4178.5-177-1781109.9
35L79.6Confident76.1Confident61 Ų6169.2 Ų69.232%0.31939%0.392SS..EExtended strand (participates in β ladder)trans-64.4135.7170.3-70.8179.6000111A25 I27 C33 P73 V74A25-L35 HydrophobicContact CB-CD1 3.13Å; A25-L35 HydrophobicContact CB-CD2 3.89Å; A25-L35 HydrophobicContact CB-CG 3.35Å; I27-L35 HydrophobicContact CD1-CD2 3.88Å; I27-L35 HydrophobicContact CG1-CD2 4.41Å; C33-L35 PolarHBondContact O-N 3.32Å; L35-P73 HydrophobicContact CB-CB 4.44Å; L35-P73 HydrophobicContact CD1-CB 3.81Å; L35-P73 HydrophobicContact CD2-CB 4.06Å; L35-P73 HydrophobicContact CG-CB 4.34Å; L35-V74 CarbonylContact C-O 3.5Å; L35-V74 WeakPolarHBondContact CA-O 3.44Å
36T83.2Confident78Confident53 Ų5368 Ų6833%0.32538%0.382SS..EExtended strand (participates in β ladder)trans-118.8119.3173.9-48.20000107.1I38 V74 G76T36-I38 PolarHBondContact O-N 3.48Å; T36-V74 PolarHBondContact N-O 3.03Å; T36-V74 WeakPolarHBondContact O-CG2 3.26Å; T36-V74 PolarHBondContact O-N 3.05Å; T36-V74 VanDerWaalsContact O-N 3.16Å; T36-G76 WeakPolarHBondContact OG1-CA 3.5Å; T36-G76 PolarHBondContact OG1-N 3Å
37P87.2Confident79.9Confident96 Ų9660.8 Ų60.862%0.62335%0.348SS*.EExtended strand (participates in β ladder)trans-73124.217628.1-31.4000109.7V71P37-V71 HydrophobicContact CB-CG1 3.56Å
38I88.2Confident81.4Confident36 Ų3660.2 Ų60.219%0.18535%0.345CS..EExtended strand (participates in β ladder)trans-114.6140.6170.7-0.1158000109.6T36 V71 V72 V74 L89 T92T36-I38 PolarHBondContact O-N 3.48Å; I38-V71 CarbonylContact O-C 3.47Å; I38-V71 WeakPolarHBondContact O-CA 3.43Å; I38-V72 PolarHBondContact N-O 3.04Å; I38-V72 PolarHBondContact O-N 3.03Å; I38-V74 HydrophobicContact CD1-CB 4.22Å; I38-V74 HydrophobicContact CD1-CG1 3.77Å; I38-V74 HydrophobicContact CD1-CG2 3.41Å; I38-V74 VanDerWaalsContact CD1-CG2 3.41Å; I38-V74 HydrophobicContact CG1-CB 4.46Å; I38-V74 HydrophobicContact CG1-CG1 4.26Å; I38-V74 HydrophobicContact CG1-CG2 3.4Å; I38-V74 VanDerWaalsContact CG1-CG2 3.4Å; I38-L89 HydrophobicContact CD1-CD1 3.51Å; I38-L89 HydrophobicContact CD1-CD2 3.51Å; I38-L89 HydrophobicContact CD1-CG 4.09Å; I38-L89 HydrophobicContact CG1-CD2 4.26Å; I38-T92 HydrophobicContact CD1-CG2 3.45Å; I38-T92 VanDerWaalsContact CD1-CG2 3.45Å; I38-T92 HydrophobicContact CG2-CG2 4.37Å
39R92.8Very high82.6Confident219 Ų21959.1 Ų59.183%0.82633%0.333SS*.EExtended strand (participates in β ladder)trans-85.7132.3170.1-71.2-177.2-176.1-170.41.6109.3V71R39-V71 HydrophobicContact CG-CG2 4.12Å
40V91.7Very high83.8Confident7 Ų758.7 Ų58.74%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-130.7128.1178.5-171.70000107.6V46 I66 D69 A70 V72 T92V40-V46 HydrophobicContact CB-CG2 4.36Å; V40-V46 HydrophobicContact CG1-CG2 4.18Å; V40-V46 HydrophobicContact CG2-CG2 3.53Å; V40-I66 HydrophobicContact CB-CB 4.5Å; V40-I66 HydrophobicContact CB-CG1 4.24Å; V40-I66 HydrophobicContact CB-CG2 4.38Å; V40-I66 HydrophobicContact CG1-CB 3.99Å; V40-I66 HydrophobicContact CG1-CG1 3.83Å; V40-I66 HydrophobicContact CG1-CG2 4.34Å; V40-D69 WeakPolarHBondContact O-CA 3.1Å; V40-A70 PolarHBondContact N-O 3.02Å; V40-A70 PolarHBondContact O-N 3.5Å; V40-V72 HydrophobicContact CB-CG2 4.45Å; V40-V72 HydrophobicContact CG2-CB 4.42Å; V40-V72 HydrophobicContact CG2-CG2 4.03Å; V40-T92 HydrophobicContact CG2-CG2 4.12Å
41S95.1Very high84.4Confident84 Ų8455 Ų5559%0.58729%0.294SS*.  trans-71.9157.3179.4-60.70000111.8G43 G44 D69S41-G43 PolarHBondContact O-N 3.28Å; S41-G44 WeakPolarHBondContact O-CA 3.17Å; S41-G44 PolarHBondContact O-N 3.27Å; S41-D69 WeakPolarHBondContact CA-OD1 3.38Å
42A93.8Very high84.4Confident57 Ų5760.1 Ų60.147%0.47132%0.316SS..THydrogen-bonded Turntrans-51.8130.2170.900000111G44 D69A42-G44 VanDerWaalsContact C-N 3.26Å; A42-G44 PolarHBondContact O-N 3.46Å; A42-D69 PolarHBondContact N-OD1 3.11Å
43G93.5Very high84.1Confident56 Ų5664.6 Ų64.658%0.57733%0.33SS*.THydrogen-bonded Turntrans83-8.2-175.200000114.9S41 I66S41-G43 PolarHBondContact O-N 3.28Å; G43-I66 WeakPolarHBondContact CA-O 3.36Å; G43-I66 PolarHBondContact N-O 3.39Å
44G94Very high83.3Confident18 Ų1874.7 Ų74.719%0.18637%0.367CS..  trans-65.3168.2174.700000113.1S41 A42 I66S41-G44 WeakPolarHBondContact O-CA 3.17Å; S41-G44 PolarHBondContact O-N 3.27Å; A42-G44 VanDerWaalsContact C-N 3.26Å; A42-G44 PolarHBondContact O-N 3.46Å; G44-I66 PolarHBondContact O-N 3.45Å
45T93.8Very high82.8Confident42 Ų4272.4 Ų72.426%0.25837%0.369SS..EExtended strand (participates in β ladder)trans-134.5114.6-175.5-57.40000111C63 R64 T92T45-C63 HydrophobicContact CG2-CB 4Å; T45-R64 CarbonylContact C-O 3.55Å; T45-R64 WeakPolarHBondContact CA-O 3.35Å; T45-T92 PolarHBondContact N-OXT 3.17Å; T45-T92 CarbonylContact O-C 3.57Å; T45-T92 VanDerWaalsContact O-C 3.24Å; T45-T92 WeakPolarHBondContact O-CA 3.47Å
46V90.5Very high82Confident0 Ų074 Ų740%037%0.372CS..EExtended strand (participates in β ladder)trans-87.6117.8173.6-177.60000108.8V40 E48 C63 R64 I66 V72 V74 L89 T92V40-V46 HydrophobicContact CB-CG2 4.36Å; V40-V46 HydrophobicContact CG1-CG2 4.18Å; V40-V46 HydrophobicContact CG2-CG2 3.53Å; V46-E48 HydrophobicContact CG1-CG 3.97Å; V46-C63 CarbonylContact O-C 3.44Å; V46-C63 WeakPolarHBondContact O-CA 3.04Å; V46-R64 HydrophobicContact CB-CG 3.94Å; V46-R64 PolarHBondContact N-O 3.29Å; V46-R64 WeakPolarHBondContact O-CG 2.97Å; V46-R64 PolarHBondContact O-N 2.95Å; V46-I66 HydrophobicContact CG2-CD1 4.19Å; V46-I66 HydrophobicContact CG2-CG1 3.83Å; V46-V72 HydrophobicContact CG2-CB 4.42Å; V46-V72 HydrophobicContact CG2-CG1 4.32Å; V46-V72 HydrophobicContact CG2-CG2 4.28Å; V46-V74 HydrophobicContact CG1-CG1 3.91Å; V46-L89 HydrophobicContact CG1-CD1 3.93Å; V46-T92 HydrophobicContact CG2-CG2 4.36Å
47C87.5Confident81.1Confident1 Ų183.2 Ų83.21%0.00740%0.401CS..EExtended strand (participates in β ladder)trans-108.2130.4173.1-67.30000110.4L62 C63 L90 Y91C47-L62 CarbonylContact C-O 3.58Å; C47-L62 WeakPolarHBondContact CA-O 3.41Å; C47-C63 HydrophobicContact CB-CB 4.19Å; C47-C63 WeakPolarHBondContact CB-SG 3.44Å; C47-C63 WeakPolarHBondContact SG-CB 3.36Å; C47-C63 CovalentContact SG-SG 2.04Å; C47-C63 PolarHBondContact SG-SG 3.43Å; C47-L90 VanDerWaalsContact O-CB 3.31Å; C47-L90 WeakPolarHBondContact O-CB 3.23Å; C47-L90 PolarHBondContact O-N 2.93Å; C47-Y91 HydrophobicContact CB-CD1 4.08Å; C47-Y91 HydrophobicContact CB-CD2 4.19Å; C47-Y91 HydrophobicContact CB-CE1 3.73Å; C47-Y91 HydrophobicContact CB-CE2 3.87Å; C47-Y91 HydrophobicContact CB-CG 4.3Å; C47-Y91 PolarHBondContact N-O 3Å; C47-Y91 PolarHBondContact O-N 3.39Å; C47-Y91 WeakPolarHBondContact SG-CE2 3.35Å; C47-Y91 PolarHBondContact SG-OH 2.81Å
48E84.8Confident79.9Confident10 Ų1079.9 Ų79.95%0.04738%0.384CS..EExtended strand (participates in β ladder)trans-127.8149.3-179.1-49.7175.773.600109.5V46 S61 L62 R64 L87 Q88V46-E48 HydrophobicContact CG1-CG 3.97Å; E48-S61 CarbonylContact O-C 3.49Å; E48-S61 WeakPolarHBondContact O-CA 3.36Å; E48-L62 PolarHBondContact N-O 3.37Å; E48-L62 PolarHBondContact O-N 2.72Å; E48-R64 IonicContact OE1-NH2 3.97Å; E48-R64 IonicContact OE2-CZ 3.28Å; E48-R64 VanDerWaalsContact OE2-CZ 3.28Å; E48-R64 IonicContact OE2-NE 3.23Å; E48-R64 PolarHBondContact OE2-NE 3.17Å; E48-R64 IonicContact OE2-NH2 2.74Å; E48-R64 PolarHBondContact OE2-NH2 3.26Å; E48-L87 HydrophobicContact CB-CB 3.8Å; E48-L87 HydrophobicContact CB-CD1 4.25Å; E48-Q88 CarbonylContact C-O 3.51Å; E48-Q88 WeakPolarHBondContact CA-O 3.34Å
49R79.7Confident78.6Confident88 Ų8882.4 Ų82.433%0.33240%0.402SS..EExtended strand (participates in β ladder)trans-113.2146.2173.359.3179.7-166.7173.48.9111.4C51 L87 Q88 L90R49-C51 PolarHBondContact O-N 3.06Å; R49-L87 CarbonylContact O-C 3.24Å; R49-L87 VanDerWaalsContact O-CA 3.27Å; R49-L87 WeakPolarHBondContact O-CA 3.22Å; R49-Q88 HydrophobicContact CG-CB 4.12Å; R49-Q88 VanDerWaalsContact CZ-OE1 3.23Å; R49-Q88 PolarHBondContact N-O 3.04Å; R49-Q88 PolarHBondContact O-N 2.98Å; R49-L90 HydrophobicContact CB-CD1 3.55Å; R49-L90 HydrophobicContact CG-CD1 3.85Å; R49-L90 HydrophobicContact CG-CG 4.31Å
50L76.9Confident77.5Confident39 Ų3977.4 Ų77.420%0.20440%0.398CS..EExtended strand (participates in β ladder)trans-63.8129.8168.7-138.3110.9000110Y56 C86 L87L50-Y56 HydrophobicContact CD2-CE1 4.18Å; L50-C86 CarbonylContact C-O 3.51Å; L50-C86 WeakPolarHBondContact CA-O 3.4Å; L50-L87 HydrophobicContact CB-CD2 4.41Å; L50-L87 HydrophobicContact CD1-CD2 3.92Å; L50-L87 HydrophobicContact CG-CD2 4.35Å
51C70.5Confident77Confident1 Ų179.7 Ų79.71%0.00742%0.415CS..  trans-136.375.9-166.3-145.20000109.2R49 C79 C86 Q88R49-C51 PolarHBondContact O-N 3.06Å; C51-C79 VanDerWaalsContact CA-SG 3.58Å; C51-C79 HydrophobicContact CB-CB 3.73Å; C51-C79 WeakPolarHBondContact CB-SG 3.48Å; C51-C79 WeakPolarHBondContact SG-CA 3.44Å; C51-C79 WeakPolarHBondContact SG-CB 3.41Å; C51-C79 CovalentContact SG-SG 2Å; C51-C79 PolarHBondContact SG-SG 3.32Å; C51-C86 PolarHBondContact N-O 2.96Å; C51-Q88 HydrophobicContact CB-CB 3.81Å; C51-Q88 PolarHBondContact SG-OE1 3.36Å
52F65.8Low76.4Confident107 Ų10780 Ų8047%0.46941%0.409SS..SBendtrans-80.7-31.8177.6-173.6-111.5000112.5Y56 P84F52-Y56 HydrophobicContact CB-CD1 4.28Å; F52-Y56 HydrophobicContact CB-CG 4.39Å; F52-P84 HydrophobicContact CD2-CB 4.42Å; F52-P84 HydrophobicContact CE2-CB 4.18Å
53R62.8Low76.1Confident181 Ų18180.4 Ų80.468%0.68341%0.408SS*.SBendtrans-147.8155.8174.8-67.7-171.9-179.6-173.4-0.2109.1D55 Y56 C79R53-D55 PolarHBondContact O-N 3.37Å; R53-Y56 WeakPolarHBondContact O-CB 3.36Å; R53-Y56 PolarHBondContact O-N 2.82Å; R53-C79 VanDerWaalsContact C-SG 3.54Å; R53-C79 PolarHBondContact O-SG 2.83Å; R53-C79 VanDerWaalsContact O-SG 3.38Å
54R60.1Low75.9Confident216 Ų21682.4 Ų82.482%0.81540%0.398SS*.THydrogen-bonded Turntrans-51.4-35-175.7-126.8-179.2-172.7-175.31.6113.6
55D66.4Low75.8Confident148 Ų14891.6 Ų91.679%0.79143%0.427SS*.THydrogen-bonded Turntrans-100.95.4-176-47-53.1000113.2R53 R57R53-D55 PolarHBondContact O-N 3.37Å; D55-R57 PolarHBondContact O-N 2.87Å; D55-R57 VanDerWaalsContact O-N 3.08Å
56Y63Low75.7Confident95 Ų9590.2 Ų90.237%0.37342%0.418SS..  trans-71.2106.4179.3-173.3-111.1000109.9L50 F52 R53 G58 P59L50-Y56 HydrophobicContact CD2-CE1 4.18Å; F52-Y56 HydrophobicContact CB-CD1 4.28Å; F52-Y56 HydrophobicContact CB-CG 4.39Å; R53-Y56 WeakPolarHBondContact O-CB 3.36Å; R53-Y56 PolarHBondContact O-N 2.82Å; Y56-G58 VanDerWaalsContact CZ-CA 3.48Å; Y56-G58 PolarHBondContact O-N 3.43Å; Y56-P59 WeakPolarHBondContact OH-CD 3.38Å
57R65.6Low75.9Confident247 Ų24795.8 Ų95.893%0.93245%0.454SS*.  trans-87.750.9171.2-63.7-174.3-178.1-174.30.2111D55D55-R57 PolarHBondContact O-N 2.87Å; D55-R57 VanDerWaalsContact O-N 3.08Å
58G60.6Low76.2Confident26 Ų26105 Ų10527%0.26849%0.489SS..PPolyproline II helixtrans-59.1172.1-175.900000115.5Y56Y56-G58 VanDerWaalsContact CZ-CA 3.48Å; Y56-G58 PolarHBondContact O-N 3.43Å
59P60.8Low76.7Confident88 Ų88110.3 Ų110.357%0.57152%0.518SS*.SBendtrans-56.9163.6-177.225.8-34000113Y56Y56-P59 WeakPolarHBondContact OH-CD 3.38Å
60P70.7Confident77.3Confident114 Ų114107.8 Ų107.874%0.7452%0.516SS*.PPolyproline II helixtrans-63.8152.4-143.926.3-33.9000113.5L62P60-L62 PolarHBondContact O-N 2.9Å
61S80.2Confident78Confident56 Ų56110.2 Ų110.239%0.39253%0.532SS..  trans-43126.2175.146.20000112.2E48 C63E48-S61 CarbonylContact O-C 3.49Å; E48-S61 WeakPolarHBondContact O-CA 3.36Å; S61-C63 PolarHBondContact O-N 3.32Å
62L83.1Confident78.8Confident90 Ų90110.6 Ų110.647%0.47153%0.534SS..EExtended strand (participates in β ladder)trans-80.9110.4172-80.4147.9000108.6C47 E48 P60 L87C47-L62 CarbonylContact C-O 3.58Å; C47-L62 WeakPolarHBondContact CA-O 3.41Å; E48-L62 PolarHBondContact N-O 3.37Å; E48-L62 PolarHBondContact O-N 2.72Å; P60-L62 PolarHBondContact O-N 2.9Å; L62-L87 HydrophobicContact CD1-CD1 4.24Å; L62-L87 HydrophobicContact CD1-CD2 3.54Å
63C88.2Confident79.6Confident66 Ų66108.8 Ų108.845%0.44653%0.533SS..EExtended strand (participates in β ladder)trans-107.3131.3177.9-65.60000110.7T45 V46 C47 S61T45-C63 HydrophobicContact CG2-CB 4Å; V46-C63 CarbonylContact O-C 3.44Å; V46-C63 WeakPolarHBondContact O-CA 3.04Å; C47-C63 HydrophobicContact CB-CB 4.19Å; C47-C63 WeakPolarHBondContact CB-SG 3.44Å; C47-C63 WeakPolarHBondContact SG-CB 3.36Å; C47-C63 CovalentContact SG-SG 2.04Å; C47-C63 PolarHBondContact SG-SG 3.43Å; S61-C63 PolarHBondContact O-N 3.32Å
64R88Confident80.4Confident98 Ų98100.1 Ų100.137%0.3750%0.501SS..EExtended strand (participates in β ladder)trans-120.9130.5173.456.7177164.5173.8-8.4110.2T45 V46 E48 I66T45-R64 CarbonylContact C-O 3.55Å; T45-R64 WeakPolarHBondContact CA-O 3.35Å; V46-R64 HydrophobicContact CB-CG 3.94Å; V46-R64 PolarHBondContact N-O 3.29Å; V46-R64 WeakPolarHBondContact O-CG 2.97Å; V46-R64 PolarHBondContact O-N 2.95Å; E48-R64 IonicContact OE1-NH2 3.97Å; E48-R64 IonicContact OE2-CZ 3.28Å; E48-R64 VanDerWaalsContact OE2-CZ 3.28Å; E48-R64 IonicContact OE2-NE 3.23Å; E48-R64 PolarHBondContact OE2-NE 3.17Å; E48-R64 IonicContact OE2-NH2 2.74Å; E48-R64 PolarHBondContact OE2-NH2 3.26Å; R64-I66 HydrophobicContact CG-CD1 4.29Å
65R92.7Very high81.2Confident210 Ų21090 Ų9079%0.79246%0.462SS*.EExtended strand (participates in β ladder)trans-76.7139.9169.2-84.7-172.7-178.6-1681.6110.3
66I92.7Very high81.2Confident14 Ų1484.6 Ų84.67%0.07244%0.442CS..  trans-104.3109.3178.5-58.9-54.8000107.9V40 G43 G44 V46 R64 R68 A70 V72V40-I66 HydrophobicContact CB-CB 4.5Å; V40-I66 HydrophobicContact CB-CG1 4.24Å; V40-I66 HydrophobicContact CB-CG2 4.38Å; V40-I66 HydrophobicContact CG1-CB 3.99Å; V40-I66 HydrophobicContact CG1-CG1 3.83Å; V40-I66 HydrophobicContact CG1-CG2 4.34Å; G43-I66 WeakPolarHBondContact CA-O 3.36Å; G43-I66 PolarHBondContact N-O 3.39Å; G44-I66 PolarHBondContact O-N 3.45Å; V46-I66 HydrophobicContact CG2-CD1 4.19Å; V46-I66 HydrophobicContact CG2-CG1 3.83Å; R64-I66 HydrophobicContact CG-CD1 4.29Å; I66-R68 VanDerWaalsContact C-N 3.3Å; I66-R68 WeakPolarHBondContact CG2-O 3.32Å; I66-R68 PolarHBondContact O-N 3.14Å; I66-A70 HydrophobicContact CG2-CB 3.95Å; I66-V72 HydrophobicContact CD1-CG2 3.87Å; I66-V72 HydrophobicContact CG1-CG2 4.23Å
67P93.3Very high81.4Confident117 Ų11783.7 Ų83.776%0.7646%0.462SS*.SBendtrans-74.6-18.3-170.527.8-34.6000114
68R94.7Very high81.5Confident194 Ų19472.9 Ų72.973%0.73243%0.427SS*.SBendtrans-147.1156.1-176.160.6-178177.7-177.2-0.7109.8I66 A70I66-R68 VanDerWaalsContact C-N 3.3Å; I66-R68 WeakPolarHBondContact CG2-O 3.32Å; I66-R68 PolarHBondContact O-N 3.14Å; R68-A70 PolarHBondContact O-N 3.46Å; R68-A70 VanDerWaalsContact O-N 3.17Å
69D95.2Very high81.9Confident121 Ų12173.4 Ų73.465%0.64743%0.426SS*.  trans-51.7124.2176.9-60.1-49.9000110.7V40 S41 A42V40-D69 WeakPolarHBondContact O-CA 3.1Å; S41-D69 WeakPolarHBondContact CA-OD1 3.38Å; A42-D69 PolarHBondContact N-OD1 3.11Å
70A93Very high82.2Confident36 Ų3670.1 Ų70.130%0.29841%0.405SS..EExtended strand (participates in β ladder)trans-147.8151.3-173.500000112.1V40 I66 R68 V72V40-A70 PolarHBondContact N-O 3.02Å; V40-A70 PolarHBondContact O-N 3.5Å; I66-A70 HydrophobicContact CG2-CB 3.95Å; R68-A70 PolarHBondContact O-N 3.46Å; R68-A70 VanDerWaalsContact O-N 3.17Å; A70-V72 HydrophobicContact CB-CG2 4.27Å
71V91.3Very high82Confident90 Ų9075.9 Ų75.955%0.54541%0.412SS..EExtended strand (participates in β ladder)trans-93.2112.5163.5-179.30000107.2P37 I38 R39P37-V71 HydrophobicContact CB-CG1 3.56Å; I38-V71 CarbonylContact O-C 3.47Å; I38-V71 WeakPolarHBondContact O-CA 3.43Å; R39-V71 HydrophobicContact CG-CG2 4.12Å
72V85.7Confident81.4Confident8 Ų875.6 Ų75.65%0.04841%0.41CS..EExtended strand (participates in β ladder)trans-102120-177.2-175.30000108.7I38 V40 V46 I66 A70 V74I38-V72 PolarHBondContact N-O 3.04Å; I38-V72 PolarHBondContact O-N 3.03Å; V40-V72 HydrophobicContact CB-CG2 4.45Å; V40-V72 HydrophobicContact CG2-CB 4.42Å; V40-V72 HydrophobicContact CG2-CG2 4.03Å; V46-V72 HydrophobicContact CG2-CB 4.42Å; V46-V72 HydrophobicContact CG2-CG1 4.32Å; V46-V72 HydrophobicContact CG2-CG2 4.28Å; I66-V72 HydrophobicContact CD1-CG2 3.87Å; I66-V72 HydrophobicContact CG1-CG2 4.23Å; A70-V72 HydrophobicContact CB-CG2 4.27Å; V72-V74 HydrophobicContact CG1-CG1 4.03Å
73P83.3Confident80.3Confident69 Ų6972.8 Ų72.845%0.44840%0.403SS..EExtended strand (participates in β ladder)trans-75.1127.7171.328.5-30.6000110.1L35L35-P73 HydrophobicContact CB-CB 4.44Å; L35-P73 HydrophobicContact CD1-CB 3.81Å; L35-P73 HydrophobicContact CD2-CB 4.06Å; L35-P73 HydrophobicContact CG-CB 4.34Å
74V80.1Confident79.1Confident0 Ų072.4 Ų72.40%040%0.4CS..EExtended strand (participates in β ladder)trans-138.3164.2176.4-60.20000110.9L35 T36 I38 V46 V72 G76 L89L35-V74 CarbonylContact C-O 3.5Å; L35-V74 WeakPolarHBondContact CA-O 3.44Å; T36-V74 PolarHBondContact N-O 3.03Å; T36-V74 WeakPolarHBondContact O-CG2 3.26Å; T36-V74 PolarHBondContact O-N 3.05Å; T36-V74 VanDerWaalsContact O-N 3.16Å; I38-V74 HydrophobicContact CD1-CB 4.22Å; I38-V74 HydrophobicContact CD1-CG1 3.77Å; I38-V74 HydrophobicContact CD1-CG2 3.41Å; I38-V74 VanDerWaalsContact CD1-CG2 3.41Å; I38-V74 HydrophobicContact CG1-CB 4.46Å; I38-V74 HydrophobicContact CG1-CG1 4.26Å; I38-V74 HydrophobicContact CG1-CG2 3.4Å; I38-V74 VanDerWaalsContact CG1-CG2 3.4Å; V46-V74 HydrophobicContact CG1-CG1 3.91Å; V72-V74 HydrophobicContact CG1-CG1 4.03Å; V74-G76 PolarHBondContact O-N 3.45Å; V74-L89 HydrophobicContact CB-CB 4.21Å; V74-L89 HydrophobicContact CB-CD1 4.5Å; V74-L89 HydrophobicContact CG1-CD1 4.31Å; V74-L89 HydrophobicContact CG2-CB 3.81Å; V74-L89 HydrophobicContact CG2-CD1 4.22Å; V74-L89 HydrophobicContact CG2-CD2 4Å; V74-L89 HydrophobicContact CG2-CG 4.2Å
75C76.7Confident78.1Confident2 Ų271.1 Ų71.11%0.01440%0.4CS..EExtended strand (participates in β ladder)trans-78.691.4164.5-50.60000110I27 C33 L87 L89I27-C75 WeakPolarHBondContact CD1-SG 3.5Å; C33-C75 HydrophobicContact CB-CB 3.88Å; C33-C75 WeakPolarHBondContact CB-SG 3.36Å; C33-C75 VanDerWaalsContact SG-CA 3.54Å; C33-C75 WeakPolarHBondContact SG-CB 3.16Å; C33-C75 CovalentContact SG-SG 2Å; C33-C75 PolarHBondContact SG-SG 3.21Å; C75-L87 WeakPolarHBondContact CB-O 3.37Å; C75-L87 PolarHBondContact SG-O 3.48Å; C75-L89 PolarHBondContact O-N 2.97Å
76G66.5Low77.1Confident35 Ų3561.1 Ų61.136%0.36136%0.363SS..  trans-80.2-18-177.700000114.9T36 V74T36-G76 WeakPolarHBondContact OG1-CA 3.5Å; T36-G76 PolarHBondContact OG1-N 3Å; V74-G76 PolarHBondContact O-N 3.45Å
77G67.3Low76.4Confident77 Ų7761 Ų6179%0.79436%0.362SS*.SBendtrans-97.70.7-170.500000117
78G66.3Low75.7Confident20 Ų2057.1 Ų57.121%0.20633%0.334CS..SBendtrans131.7-172.7-174.700000113.4
79C69.2Low75.1Confident36 Ų3649.8 Ų49.824%0.24331%0.309CS..SBendtrans-61.9161.2172.1-66.60000111.6C51 R53C51-C79 VanDerWaalsContact CA-SG 3.58Å; C51-C79 HydrophobicContact CB-CB 3.73Å; C51-C79 WeakPolarHBondContact CB-SG 3.48Å; C51-C79 WeakPolarHBondContact SG-CA 3.44Å; C51-C79 WeakPolarHBondContact SG-CB 3.41Å; C51-C79 CovalentContact SG-SG 2Å; C51-C79 PolarHBondContact SG-SG 3.32Å; R53-C79 VanDerWaalsContact C-SG 3.54Å; R53-C79 PolarHBondContact O-SG 2.83Å; R53-C79 VanDerWaalsContact O-SG 3.38Å
80C67.5Low74.4Confident20 Ų2048.1 Ų48.114%0.13530%0.299CS..  trans-60.8152.2174.3-74.20000114Q32 C33 S82 C86Q32-C80 VanDerWaalsContact C-SG 3.59Å; Q32-C80 CarbonylContact O-C 3.56Å; Q32-C80 VanDerWaalsContact O-CA 3.28Å; Q32-C80 WeakPolarHBondContact O-CA 3.05Å; Q32-C80 WeakPolarHBondContact O-CB 3.32Å; Q32-C80 PolarHBondContact O-SG 3.23Å; Q32-C80 VanDerWaalsContact O-SG 3.34Å; C33-C80 HydrophobicContact CB-CB 4.37Å; C33-C80 WeakPolarHBondContact CB-SG 3.09Å; C80-S82 VanDerWaalsContact C-N 3.35Å; C80-C86 HydrophobicContact CB-CB 3.35Å; C80-C86 WeakPolarHBondContact CB-SG 3.32Å; C80-C86 WeakPolarHBondContact SG-CB 3.31Å; C80-C86 CovalentContact SG-SG 1.94Å; C80-C86 PolarHBondContact SG-SG 3.46Å
81R67.4Low74Confident235 Ų23552.5 Ų52.589%0.88731%0.309SS*.SBendtrans-70.4-35.4173.9-75.9-175.1172.5-174.1-2.4111.4Q32Q32-R81 PolarHBondContact O-N 3.04Å
82S66.1Low73.7Confident49 Ų4952.5 Ų52.534%0.34331%0.309SS..BIsolated β-bridgetrans-153.9162-176.572.80000110.9G31 Q32 C80G31-S82 CarbonylContact C-O 3.56Å; G31-S82 WeakPolarHBondContact CA-O 3.45Å; Q32-S82 WeakPolarHBondContact CB-OG 2.68Å; Q32-S82 PolarHBondContact N-O 3.45Å; Q32-S82 PolarHBondContact OE1-OG 2.76Å; C80-S82 VanDerWaalsContact C-N 3.35Å
83G61.2Low73.1Confident31 Ų3154.7 Ų54.732%0.3232%0.322SS..SBendtrans83.1153.6172.200000115.7
84P63.4Low72.6Confident59 Ų5953.9 Ų53.938%0.38332%0.316SS..SBendtrans-71.4163.2178.830.1-33.4000112.7G31 F52 C86G31-P84 PolarHBondContact N-O 3.3Å; F52-P84 HydrophobicContact CD2-CB 4.42Å; F52-P84 HydrophobicContact CE2-CB 4.18Å; P84-C86 VanDerWaalsContact C-N 3.34Å; P84-C86 PolarHBondContact O-N 3.49Å
85N66.7Low72.2Confident71 Ų7156.9 Ų56.938%0.3833%0.333SS..  trans66.217.7163.8-56.6-28.5000119L28L28-N85 HydrophobicContact CB-CB 4.26Å; L28-N85 WeakPolarHBondContact O-CB 3.35Å; L28-N85 PolarHBondContact O-ND2 3.25Å
86C72.2Confident71.9Confident0 Ų060.2 Ų60.20%035%0.352CS..  trans-66.1144.8173.6-99.20000114.3G31 L50 C51 C80 P84G31-C86 WeakPolarHBondContact CA-SG 3.47Å; L50-C86 CarbonylContact C-O 3.51Å; L50-C86 WeakPolarHBondContact CA-O 3.4Å; C51-C86 PolarHBondContact N-O 2.96Å; C80-C86 HydrophobicContact CB-CB 3.35Å; C80-C86 WeakPolarHBondContact CB-SG 3.32Å; C80-C86 WeakPolarHBondContact SG-CB 3.31Å; C80-C86 CovalentContact SG-SG 1.94Å; C80-C86 PolarHBondContact SG-SG 3.46Å; P84-C86 VanDerWaalsContact C-N 3.34Å; P84-C86 PolarHBondContact O-N 3.49Å
87L76.3Confident72.2Confident10 Ų1061.8 Ų61.85%0.05235%0.351CS..EExtended strand (participates in β ladder)trans-106.3129.5175.6-57179.3000111.2I27 L28 E48 R49 L50 L62 C75I27-L87 HydrophobicContact CG2-CB 3.79Å; I27-L87 HydrophobicContact CG2-CD1 3.86Å; I27-L87 HydrophobicContact CG2-CG 3.64Å; L28-L87 HydrophobicContact CD1-CD1 3.64Å; L28-L87 HydrophobicContact CD1-CG 4.16Å; E48-L87 HydrophobicContact CB-CB 3.8Å; E48-L87 HydrophobicContact CB-CD1 4.25Å; R49-L87 CarbonylContact O-C 3.24Å; R49-L87 VanDerWaalsContact O-CA 3.27Å; R49-L87 WeakPolarHBondContact O-CA 3.22Å; L50-L87 HydrophobicContact CB-CD2 4.41Å; L50-L87 HydrophobicContact CD1-CD2 3.92Å; L50-L87 HydrophobicContact CG-CD2 4.35Å; L62-L87 HydrophobicContact CD1-CD1 4.24Å; L62-L87 HydrophobicContact CD1-CD2 3.54Å; C75-L87 WeakPolarHBondContact CB-O 3.37Å; C75-L87 PolarHBondContact SG-O 3.48Å
88Q78.9Confident72.6Confident37 Ų3760.7 Ų60.717%0.17332%0.322CS..EExtended strand (participates in β ladder)trans-100.5135.2171.8-178.3-168.3-1.500109.8E48 R49 C51 L90E48-Q88 CarbonylContact C-O 3.51Å; E48-Q88 WeakPolarHBondContact CA-O 3.34Å; R49-Q88 HydrophobicContact CG-CB 4.12Å; R49-Q88 VanDerWaalsContact CZ-OE1 3.23Å; R49-Q88 PolarHBondContact N-O 3.04Å; R49-Q88 PolarHBondContact O-N 2.98Å; C51-Q88 HydrophobicContact CB-CB 3.81Å; C51-Q88 PolarHBondContact SG-OE1 3.36Å; Q88-L90 PolarHBondContact O-N 3.01Å
89L82.2Confident73Confident40 Ų4063.6 Ų63.621%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-57.1129.8170.5-178.166.8000111.2I38 V46 V74 C75 T92I38-L89 HydrophobicContact CD1-CD1 3.51Å; I38-L89 HydrophobicContact CD1-CD2 3.51Å; I38-L89 HydrophobicContact CD1-CG 4.09Å; I38-L89 HydrophobicContact CG1-CD2 4.26Å; V46-L89 HydrophobicContact CG1-CD1 3.93Å; V74-L89 HydrophobicContact CB-CB 4.21Å; V74-L89 HydrophobicContact CB-CD1 4.5Å; V74-L89 HydrophobicContact CG1-CD1 4.31Å; V74-L89 HydrophobicContact CG2-CB 3.81Å; V74-L89 HydrophobicContact CG2-CD1 4.22Å; V74-L89 HydrophobicContact CG2-CD2 4Å; V74-L89 HydrophobicContact CG2-CG 4.2Å; C75-L89 PolarHBondContact O-N 2.97Å; L89-T92 HydrophobicContact CD1-CG2 4.04Å
90L81.9Confident73.3Confident85 Ų8565.8 Ų65.845%0.44534%0.337SS..EExtended strand (participates in β ladder)trans-102.5-55.5174.6-117.6155.2000110.4C47 R49 Q88C47-L90 VanDerWaalsContact O-CB 3.31Å; C47-L90 WeakPolarHBondContact O-CB 3.23Å; C47-L90 PolarHBondContact O-N 2.93Å; R49-L90 HydrophobicContact CB-CD1 3.55Å; R49-L90 HydrophobicContact CG-CD1 3.85Å; R49-L90 HydrophobicContact CG-CG 4.31Å; Q88-L90 PolarHBondContact O-N 3.01Å
91Y83.8Confident73.8Confident129 Ų12969.6 Ų69.651%0.50635%0.354SS..EExtended strand (participates in β ladder)trans-163.4166.8176.259-89.9000111.3C47C47-Y91 HydrophobicContact CB-CD1 4.08Å; C47-Y91 HydrophobicContact CB-CD2 4.19Å; C47-Y91 HydrophobicContact CB-CE1 3.73Å; C47-Y91 HydrophobicContact CB-CE2 3.87Å; C47-Y91 HydrophobicContact CB-CG 4.3Å; C47-Y91 PolarHBondContact N-O 3Å; C47-Y91 PolarHBondContact O-N 3.39Å; C47-Y91 WeakPolarHBondContact SG-CE2 3.35Å; C47-Y91 PolarHBondContact SG-OH 2.81Å
92T85.5Confident74.4Confident89 Ų8954.5 Ų54.555%0.54631%0.305SS..  trans-123.60178.556.70000111.7I38 V40 T45 V46 L89I38-T92 HydrophobicContact CD1-CG2 3.45Å; I38-T92 VanDerWaalsContact CD1-CG2 3.45Å; I38-T92 HydrophobicContact CG2-CG2 4.37Å; V40-T92 HydrophobicContact CG2-CG2 4.12Å; T45-T92 PolarHBondContact N-OXT 3.17Å; T45-T92 CarbonylContact O-C 3.57Å; T45-T92 VanDerWaalsContact O-C 3.24Å; T45-T92 WeakPolarHBondContact O-CA 3.47Å; V46-T92 HydrophobicContact CG2-CG2 4.36Å; L89-T92 HydrophobicContact CD1-CG2 4.04Å

Retrieved 92 of 92 residues in 53.7 ms (Link to these results)