A0A087WZ93_HUMAN Loading...

Signal peptide peptidase like 2B

AlphaFold DB , UniProt , Accession A0A087WZ93, Species HUMAN (Homo sapiens, Human), Gene SPPL2B, Length 139 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
1M60.6Low78.3Confident211 Ų21193.6 Ų93.6100%1.03959%0.587SS**  0-54.30-94.6159.8-107.700113A3 A4 V5M1-A3 PolarHBondContact O-N 3.21Å; M1-A4 PolarHBondContact O-N 3.25Å; M1-V5 WeakPolarHBondContact O-CG2 3.25Å; M1-V5 PolarHBondContact O-N 3.32Å
2A68.3Low79.3Confident83 Ų8395.7 Ų95.769%0.68659%0.589SS**Hα-helixtrans-55.2-42.4-177.500000115.4A4 V5 A6A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 2.71Å; A2-V5 PolarHBondContact O-N 3.06Å; A2-A6 PolarHBondContact O-N 3.28Å
3A71.6Confident80.1Confident83 Ų8396.5 Ų96.569%0.68659%0.587SS**Hα-helixtrans-64.7-34.3179.800000113.7M1 A7M1-A3 PolarHBondContact O-N 3.21Å; A3-A7 WeakPolarHBondContact O-CB 3.29Å; A3-A7 PolarHBondContact O-N 3.26Å; A3-A7 VanDerWaalsContact O-N 3.12Å
4A74.4Confident80.4Confident69 Ų6993 Ų9357%0.5757%0.573SS**Hα-helixtrans-71.5-36.417800000111.8M1 A2 A7 A8M1-A4 PolarHBondContact O-N 3.25Å; A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 2.71Å; A4-A7 PolarHBondContact O-N 3.44Å; A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.38Å
5V78.1Confident80.6Confident86 Ų8689.9 Ų89.952%0.52156%0.56SS.*Hα-helixtrans-68.2-42.7176.4-1790000110.9M1 A2 A7 A8 L9M1-V5 WeakPolarHBondContact O-CG2 3.25Å; M1-V5 PolarHBondContact O-N 3.32Å; A2-V5 PolarHBondContact O-N 3.06Å; V5-A7 PolarHBondContact O-N 3.31Å; V5-A8 PolarHBondContact O-N 2.69Å; V5-L9 HydrophobicContact CG1-CD1 4.09Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.89Å
6A80.8Confident80.6Confident59 Ų5993.3 Ų93.349%0.48857%0.565SS.*Hα-helixtrans-61.6-42.4175.500000112.2A2 L9 A10A2-A6 PolarHBondContact O-N 3.28Å; A6-L9 PolarHBondContact O-N 3.4Å; A6-A10 WeakPolarHBondContact O-CB 3.47Å; A6-A10 PolarHBondContact O-N 3.03Å
7A80.8Confident80.5Confident42 Ų4294.5 Ų94.535%0.34757%0.567SS.*Hα-helixtrans-65.7-37.3176.100000112.7A3 A4 V5 R11A3-A7 WeakPolarHBondContact O-CB 3.29Å; A3-A7 PolarHBondContact O-N 3.26Å; A3-A7 VanDerWaalsContact O-N 3.12Å; A4-A7 PolarHBondContact O-N 3.44Å; V5-A7 PolarHBondContact O-N 3.31Å; A7-R11 VanDerWaalsContact O-CG 3.3Å; A7-R11 WeakPolarHBondContact O-CG 3.39Å; A7-R11 PolarHBondContact O-N 3.15Å; A7-R11 VanDerWaalsContact O-N 3.09Å
8A84.6Confident80.1Confident47 Ų4796 Ų9639%0.38857%0.57SS.*Hα-helixtrans-66.4-44175.700000111.9A4 V5 R11 L12A4-A8 WeakPolarHBondContact O-CB 3.39Å; A4-A8 PolarHBondContact O-N 3.38Å; V5-A8 PolarHBondContact O-N 2.69Å; A8-R11 PolarHBondContact O-N 2.81Å; A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 2.84Å
9L86.4Confident79.4Confident99 Ų9997.7 Ų97.752%0.51858%0.576SS.*Hα-helixtrans-62.6-42.8175.6-76.5164.6000112.1V5 A6 R11 L12 L13V5-L9 HydrophobicContact CG1-CD1 4.09Å; V5-L9 WeakPolarHBondContact O-CG 3.48Å; V5-L9 PolarHBondContact O-N 2.89Å; A6-L9 PolarHBondContact O-N 3.4Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.27Å; L9-L13 WeakPolarHBondContact O-CB 3.2Å; L9-L13 PolarHBondContact O-N 3.07Å
10A87.8Confident78.6Confident58 Ų5896.7 Ų96.748%0.47958%0.579SS.*Hα-helixtrans-62.3-40.2176.700000112.1A6 A14A6-A10 WeakPolarHBondContact O-CB 3.47Å; A6-A10 PolarHBondContact O-N 3.03Å; A10-A14 VanDerWaalsContact O-CB 3.32Å; A10-A14 WeakPolarHBondContact O-CB 3.17Å; A10-A14 PolarHBondContact O-N 2.88Å
11R88.6Confident77.6Confident193 Ų19395.7 Ų95.773%0.72858%0.581SS**Hα-helixtrans-66.2-40.9175.4-73.7171.7180165.10.5112.4A7 A8 L9 A14 A15A7-R11 VanDerWaalsContact O-CG 3.3Å; A7-R11 WeakPolarHBondContact O-CG 3.39Å; A7-R11 PolarHBondContact O-N 3.15Å; A7-R11 VanDerWaalsContact O-N 3.09Å; A8-R11 PolarHBondContact O-N 2.81Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-R11 PolarHBondContact O-N 3.48Å; R11-A14 PolarHBondContact O-N 2.87Å; R11-A15 WeakPolarHBondContact O-CB 3.43Å; R11-A15 PolarHBondContact O-N 2.84Å
12L89.8Confident77.4Confident118 Ų11892.4 Ų92.462%0.61856%0.563SS**Hα-helixtrans-65.3-43.2176.2-75.6164.3000111.7A8 L9 A15 F16A8-L12 WeakPolarHBondContact O-CG 3.39Å; A8-L12 PolarHBondContact O-N 2.84Å; L9-L12 PolarHBondContact O-N 3.27Å; L12-A15 PolarHBondContact O-N 2.84Å; L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 3.34Å
13L89.1Confident76.7Confident106 Ų10693.5 Ų93.556%0.55556%0.561SS**Hα-helixtrans-62.4-45.1174.1-91158000111.9L9 A15 F16 L17L9-L13 WeakPolarHBondContact O-CB 3.2Å; L9-L13 PolarHBondContact O-N 3.07Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 2.69Å; L13-F16 PolarHBondContact O-N 2.91Å; L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.86Å
14A84.8Confident76Confident48 Ų4891.6 Ų91.640%0.39755%0.545SS..Hα-helixtrans-61.8-42.7176.100000111.8A10 R11 L17 L18A10-A14 VanDerWaalsContact O-CB 3.32Å; A10-A14 WeakPolarHBondContact O-CB 3.17Å; A10-A14 PolarHBondContact O-N 2.88Å; R11-A14 PolarHBondContact O-N 2.87Å; A14-L17 PolarHBondContact O-N 3.08Å; A14-L18 WeakPolarHBondContact O-CB 3.15Å; A14-L18 WeakPolarHBondContact O-CD1 3.39Å; A14-L18 VanDerWaalsContact O-CG 3.3Å; A14-L18 WeakPolarHBondContact O-CG 3.4Å; A14-L18 PolarHBondContact O-N 3.14Å
15A83.1Confident75.2Confident46 Ų4690.3 Ų90.338%0.3853%0.532SS..Hα-helixtrans-63.9-41.8175.800000112.2R11 L12 L13 L18 L19R11-A15 WeakPolarHBondContact O-CB 3.43Å; R11-A15 PolarHBondContact O-N 2.84Å; L12-A15 PolarHBondContact O-N 2.84Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 2.69Å; A15-L18 PolarHBondContact O-N 2.99Å; A15-L19 VanDerWaalsContact O-CD1 3.3Å; A15-L19 WeakPolarHBondContact O-CD1 3.15Å; A15-L19 PolarHBondContact O-N 2.99Å
16F81.4Confident74.8Confident144 Ų14490.8 Ų90.863%0.63253%0.528SS*.Hα-helixtrans-63.9-43.4176.8-175.8-103.5000112.1L12 L13 L18 L19 A20L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 3.34Å; L13-F16 PolarHBondContact O-N 2.91Å; F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 3.12Å; F16-L19 PolarHBondContact O-N 3.04Å; F16-A20 WeakPolarHBondContact O-CB 3.5Å; F16-A20 PolarHBondContact O-N 2.95Å
17L78.3Confident74.8Confident115 Ų11593.9 Ų93.960%0.60253%0.528SS*.Hα-helixtrans-63.5-38.6175-71170.1000112.1L13 A14 A20 A21L13-L17 WeakPolarHBondContact O-CB 3.25Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.86Å; A14-L17 PolarHBondContact O-N 3.08Å; L17-A20 PolarHBondContact O-N 2.83Å; L17-A21 PolarHBondContact O-N 3.19Å
18L73.2Confident74.9Confident121 Ų12192.5 Ų92.563%0.63452%0.519SS*.Hα-helixtrans-66.9-36.7175.6-77.6163.4000112.6A14 A15 F16A14-L18 WeakPolarHBondContact O-CB 3.15Å; A14-L18 WeakPolarHBondContact O-CD1 3.39Å; A14-L18 VanDerWaalsContact O-CG 3.3Å; A14-L18 WeakPolarHBondContact O-CG 3.4Å; A14-L18 PolarHBondContact O-N 3.14Å; A15-L18 PolarHBondContact O-N 2.99Å; F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 3.12Å
19L67Low74.9Confident129 Ų12994.9 Ų94.968%0.67552%0.523SS*.Hα-helixtrans-70.2-38.2173.9-98.282.6000112.2A15 F16 A21 Q22A15-L19 VanDerWaalsContact O-CD1 3.3Å; A15-L19 WeakPolarHBondContact O-CD1 3.15Å; A15-L19 PolarHBondContact O-N 2.99Å; F16-L19 PolarHBondContact O-N 3.04Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 3.23Å; L19-Q22 WeakPolarHBondContact O-CG 3.18Å; L19-Q22 PolarHBondContact O-N 2.85Å
20A62.6Low75Confident76 Ų7691.7 Ų91.763%0.62851%0.507SS*.Hα-helixtrans-69.4-23.1179.300000113.4F16 L17 Q22F16-A20 WeakPolarHBondContact O-CB 3.5Å; F16-A20 PolarHBondContact O-N 2.95Å; L17-A20 PolarHBondContact O-N 2.83Å; A20-Q22 VanDerWaalsContact C-N 3.32Å
21A59.2Low75Confident76 Ų7691.9 Ų91.963%0.62850%0.498SS*.THydrogen-bonded Turntrans-864.817900000114.3L17 L19 V23L17-A21 PolarHBondContact O-N 3.19Å; L19-A21 VanDerWaalsContact C-N 3.26Å; L19-A21 PolarHBondContact O-N 3.23Å; A21-V23 PolarHBondContact O-N 2.85Å
22Q56Low75Confident143 Ų14384.7 Ų84.767%0.66848%0.475SS*.  trans-69.5114.3179.1-62.6-75.7-11.700109.9L19 A20 A24L19-Q22 WeakPolarHBondContact O-CG 3.18Å; L19-Q22 PolarHBondContact O-N 2.85Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; Q22-A24 PolarHBondContact O-N 2.87Å
23V54Low74.9Confident105 Ų10582.5 Ų82.564%0.63647%0.467SS*.  trans-77.3111.4167.9-179.60000107.3A21 C25A21-V23 PolarHBondContact O-N 2.85Å; V23-C25 PolarHBondContact O-N 2.88Å
24A56.2Low74.8Confident43 Ų4381 Ų8136%0.35547%0.465SS..  trans-65.4106.6169.500000108.4Q22 N49 P50Q22-A24 PolarHBondContact O-N 2.87Å; A24-N49 PolarHBondContact O-OD1 3.47Å; A24-P50 HydrophobicContact CB-CG 4.26Å
25C57.6Low74.6Confident43 Ų4386.5 Ų86.529%0.29148%0.483SS..  trans-106.2120.3164.5-164.60000107.5V23 Q125V23-C25 PolarHBondContact O-N 2.88Å; C25-Q125 VanDerWaalsContact SG-CD 3.55Å; C25-Q125 PolarHBondContact SG-NE2 2.97Å; C25-Q125 PolarHBondContact SG-OE1 2.99Å
26E70.5Confident74.4Confident96 Ų9688.8 Ų88.845%0.44950%0.502SS..EExtended strand (participates in β ladder)trans-109.4160.7172.5-73.6-172.3176.200110.3Y48 P50E26-Y48 HydrophobicContact CB-CD1 4.15Å; E26-Y48 HydrophobicContact CB-CE1 3.47Å; E26-Y48 VanDerWaalsContact CB-CE1 3.47Å; E26-Y48 PolarHBondContact N-O 3.38Å; E26-Y48 WeakPolarHBondContact O-CD1 3.08Å; E26-Y48 PolarHBondContact O-N 2.92Å; E26-Y48 PolarHBondContact OE2-OH 3.05Å; E26-P50 HydrophobicContact CB-CG 4.35Å; E26-P50 HydrophobicContact CG-CG 3.89Å
27Y80.8Confident73.8Confident123 Ų12385 Ų8548%0.48250%0.503SS..EExtended strand (participates in β ladder)trans-92.7131.2175.1-67.6-84.3000109.8I46 L47 Y48 A128 L131Y27-I46 CarbonylContact C-O 3.44Å; Y27-I46 WeakPolarHBondContact CA-O 3.15Å; Y27-L47 HydrophobicContact CD1-CD2 3.73Å; Y27-L47 HydrophobicContact CE1-CD2 3.34Å; Y27-L47 HydrophobicContact CE1-CG 4.33Å; Y27-Y48 WeakPolarHBondContact O-CE1 3.45Å; Y27-A128 WeakPolarHBondContact OH-CB 3.33Å; Y27-L131 HydrophobicContact CE1-CD1 3.81Å
28G82.6Confident73.1Confident14 Ų1482 Ų8214%0.14450%0.501CS..EExtended strand (participates in β ladder)trans-117.9174.6170.200000110.9C45 I46G28-C45 WeakPolarHBondContact O-CA 3.33Å; G28-I46 VanDerWaalsContact C-CG1 3.44Å; G28-I46 PolarHBondContact N-O 3.33Å; G28-I46 WeakPolarHBondContact O-CG1 3.49Å; G28-I46 PolarHBondContact O-N 2.62Å
29M84.9Confident72.8Confident96 Ų9682.4 Ų82.447%0.47351%0.51SS..EExtended strand (participates in β ladder)trans-122.6139.7173.7-174.7178.5-81.400110.1D43 Y44 L59M29-D43 HydrophobicContact CE-CB 4.33Å; M29-D43 HydrophobicContact CG-CB 4.16Å; M29-D43 HydrophobicContact SD-CB 3.99Å; M29-Y44 CarbonylContact C-O 3.49Å; M29-Y44 WeakPolarHBondContact CA-O 3.44Å; M29-L59 HydrophobicContact CG-CD2 4.5Å; M29-L59 HydrophobicContact SD-CD1 3.91Å
30V87.1Confident73.4Confident33 Ų3384.7 Ų84.720%0.252%0.517CS..EExtended strand (participates in β ladder)trans-120.2121.2171.3174.40000108.4V32 D43 Y44 I46 L116V30-V32 HydrophobicContact CG1-CG2 3.89Å; V30-D43 CarbonylContact O-C 3.57Å; V30-D43 WeakPolarHBondContact O-CA 3.15Å; V30-Y44 PolarHBondContact N-O 3.19Å; V30-Y44 PolarHBondContact O-N 3.01Å; V30-I46 HydrophobicContact CB-CG2 4.15Å; V30-I46 HydrophobicContact CG2-CB 4.43Å; V30-I46 HydrophobicContact CG2-CD1 3.68Å; V30-I46 HydrophobicContact CG2-CG1 4.1Å; V30-I46 HydrophobicContact CG2-CG2 3.51Å; V30-L116 HydrophobicContact CG2-CD2 4.47Å
31H88.6Confident74.3Confident62 Ų6282 Ų8229%0.28750%0.497SS..EExtended strand (participates in β ladder)trans-93.2118.9172.5-173.675.7000109.9V33 D43 L59H31-V33 VanDerWaalsContact CD2-CG1 3.47Å; H31-V33 WeakPolarHBondContact CD2-CG1 3.48Å; H31-V33 WeakPolarHBondContact NE2-CG1 3.32Å; H31-D43 WeakPolarHBondContact CB-OD1 3.29Å; H31-D43 IonicContact CE1-OD1 3.84Å; H31-D43 IonicContact CG-OD1 3.4Å; H31-D43 IonicContact ND1-OD1 2.69Å; H31-D43 PolarHBondContact ND1-OD1 3.5Å; H31-L59 HydrophobicContact CB-CD2 4.43Å
32V88.5Confident75.6Confident41 Ų4184.2 Ų84.225%0.24849%0.492CS..EExtended strand (participates in β ladder)trans-108.7122-179.1-177.40000109.9V30 G41 K42 Y44 L67V30-V32 HydrophobicContact CG1-CG2 3.89Å; V32-G41 CarbonylContact O-C 3.53Å; V32-G41 WeakPolarHBondContact O-CA 3.26Å; V32-K42 PolarHBondContact N-O 3.11Å; V32-K42 PolarHBondContact O-N 2.89Å; V32-Y44 HydrophobicContact CB-CD2 4.37Å; V32-Y44 HydrophobicContact CB-CE2 4.01Å; V32-Y44 HydrophobicContact CG2-CD2 3.72Å; V32-Y44 HydrophobicContact CG2-CE2 3.75Å; V32-L67 HydrophobicContact CG1-CD2 3.91Å; V32-L67 HydrophobicContact CG2-CD2 4.33Å
33V87.9Confident77.1Confident72 Ų7281.5 Ų81.544%0.43648%0.482SS..  trans-110.8147176.8-64.10000110.9H31 F64H31-V33 VanDerWaalsContact CD2-CG1 3.47Å; H31-V33 WeakPolarHBondContact CD2-CG1 3.48Å; H31-V33 WeakPolarHBondContact NE2-CG1 3.32Å; V33-F64 HydrophobicContact CG1-CE1 4.08Å; V33-F64 HydrophobicContact CG2-CD1 4.02Å; V33-F64 HydrophobicContact CG2-CE1 3.78Å
34S86.4Confident78.5Confident74 Ų7481.9 Ų81.952%0.51747%0.473SS..  trans-74.6132.6172.7177.90000110.4A36 G37S34-A36 PolarHBondContact O-N 2.88Å; S34-A36 PolarHBondContact OG-N 3.09Å; S34-G37 PolarHBondContact O-N 3.13Å
35Q81.6Confident79.8Confident164 Ų16483.1 Ų83.177%0.76648%0.479SS*.THydrogen-bonded Turntrans-64.7-29.6173.7-174.4175.26.900112.6G37Q35-G37 PolarHBondContact O-N 2.98Å
36A77.9Confident81Confident95 Ų9581.2 Ų81.279%0.78547%0.466SS*.THydrogen-bonded Turntrans-78.3-3.9-175.600000113.9S34S34-A36 PolarHBondContact O-N 2.88Å; S34-A36 PolarHBondContact OG-N 3.09Å
37G68.4Low81.4Confident63 Ų6377 Ų7765%0.64945%0.446SS*.  trans72.6123.4-167.900000110.6S34 Q35S34-G37 PolarHBondContact O-N 3.13Å; Q35-G37 PolarHBondContact O-N 2.98Å
38G65.1Low81.2Confident54 Ų5472.3 Ų72.356%0.55743%0.428SS*.  trans-165.7-175.8-176.800000110.3
39P66.9Low80.7Confident128 Ų12872.2 Ų72.283%0.83142%0.424SS*.SBendtrans-55.1163.4177.325.5-34000111.5
40E78.4Confident80.2Confident177 Ų17768.7 Ų68.783%0.82741%0.408SS*.SBendtrans-37.3138.3-178.9-118.4-170.8167.300112.9
41G82.4Confident79.4Confident20 Ų2074.2 Ų74.221%0.20643%0.432CS..  trans-55.8172.7-178.700000113.5V32V32-G41 CarbonylContact O-C 3.53Å; V32-G41 WeakPolarHBondContact O-CA 3.26Å
42K86.3Confident78.5Confident122 Ų12278.2 Ų78.253%0.5344%0.444SS..EExtended strand (participates in β ladder)trans-112.5127.5-178.9-69-81.6166.5-780109.6V32 Y44V32-K42 PolarHBondContact N-O 3.11Å; V32-K42 PolarHBondContact O-N 2.89Å; K42-Y44 HydrophobicContact CB-CD2 4.37Å; K42-Y44 HydrophobicContact CB-CE2 3.53Å; K42-Y44 WeakPolarHBondContact O-CD2 3.36Å
43D86.2Confident77.8Confident86 Ų8676.5 Ų76.546%0.4644%0.435SS..EExtended strand (participates in β ladder)trans-90.5133.8173-63.7-41.7000110.9M29 V30 H31M29-D43 HydrophobicContact CE-CB 4.33Å; M29-D43 HydrophobicContact CG-CB 4.16Å; M29-D43 HydrophobicContact SD-CB 3.99Å; V30-D43 CarbonylContact O-C 3.57Å; V30-D43 WeakPolarHBondContact O-CA 3.15Å; H31-D43 WeakPolarHBondContact CB-OD1 3.29Å; H31-D43 IonicContact CE1-OD1 3.84Å; H31-D43 IonicContact CG-OD1 3.4Å; H31-D43 IonicContact ND1-OD1 2.69Å; H31-D43 PolarHBondContact ND1-OD1 3.5Å
44Y83.6Confident77.4Confident114 Ų11480.9 Ų80.945%0.44745%0.45SS..EExtended strand (participates in β ladder)trans-123.9132.5176.8-63.2-87.5000109.9M29 V30 V32 K42M29-Y44 CarbonylContact C-O 3.49Å; M29-Y44 WeakPolarHBondContact CA-O 3.44Å; V30-Y44 PolarHBondContact N-O 3.19Å; V30-Y44 PolarHBondContact O-N 3.01Å; V32-Y44 HydrophobicContact CB-CD2 4.37Å; V32-Y44 HydrophobicContact CB-CE2 4.01Å; V32-Y44 HydrophobicContact CG2-CD2 3.72Å; V32-Y44 HydrophobicContact CG2-CE2 3.75Å; K42-Y44 HydrophobicContact CB-CD2 4.37Å; K42-Y44 HydrophobicContact CB-CE2 3.53Å; K42-Y44 WeakPolarHBondContact O-CD2 3.36Å
45C83.3Confident77.2Confident69 Ų6980.1 Ų80.147%0.46644%0.44SS..EExtended strand (participates in β ladder)trans-74.9132.9167.9-65.80000109.7G28G28-C45 WeakPolarHBondContact O-CA 3.33Å
46I82.8Confident77.4Confident3 Ų375.3 Ų75.32%0.01542%0.423CS..EExtended strand (participates in β ladder)trans-119.6149.7177.762.4161.4000111Y27 G28 V30 L55 V135 A137Y27-I46 CarbonylContact C-O 3.44Å; Y27-I46 WeakPolarHBondContact CA-O 3.15Å; G28-I46 VanDerWaalsContact C-CG1 3.44Å; G28-I46 PolarHBondContact N-O 3.33Å; G28-I46 WeakPolarHBondContact O-CG1 3.49Å; G28-I46 PolarHBondContact O-N 2.62Å; V30-I46 HydrophobicContact CB-CG2 4.15Å; V30-I46 HydrophobicContact CG2-CB 4.43Å; V30-I46 HydrophobicContact CG2-CD1 3.68Å; V30-I46 HydrophobicContact CG2-CG1 4.1Å; V30-I46 HydrophobicContact CG2-CG2 3.51Å; I46-L55 HydrophobicContact CD1-CD1 3.93Å; I46-V135 CarbonylContact C-O 3.55Å; I46-V135 WeakPolarHBondContact CA-O 3.43Å; I46-V135 VanDerWaalsContact CB-O 3.23Å; I46-V135 WeakPolarHBondContact CB-O 3.23Å; I46-V135 HydrophobicContact CG2-CB 3.93Å; I46-V135 HydrophobicContact CG2-CG1 4.11Å; I46-A137 HydrophobicContact CD1-CB 3.58Å
47L78.9Confident77.7Confident6 Ų679.7 Ų79.73%0.03143%0.427CS..EExtended strand (participates in β ladder)trans-98.9117.5171.4-70.6163.3000107.8Y27 L123 V135 S136 A137Y27-L47 HydrophobicContact CD1-CD2 3.73Å; Y27-L47 HydrophobicContact CE1-CD2 3.34Å; Y27-L47 HydrophobicContact CE1-CG 4.33Å; L47-L123 HydrophobicContact CD1-CB 4.32Å; L47-V135 PolarHBondContact N-O 2.97Å; L47-S136 WeakPolarHBondContact O-CA 3.3Å; L47-S136 WeakPolarHBondContact O-CB 3.3Å; L47-S136 PolarHBondContact O-OG 3.26Å; L47-A137 PolarHBondContact O-N 3.3Å
48Y77.4Confident78.4Confident26 Ų2680.2 Ų80.210%0.10241%0.414CS..EExtended strand (participates in β ladder)trans-133.7157.3-177.884.1-71.4000111E26 Y27 P50 A53 L55E26-Y48 HydrophobicContact CB-CD1 4.15Å; E26-Y48 HydrophobicContact CB-CE1 3.47Å; E26-Y48 VanDerWaalsContact CB-CE1 3.47Å; E26-Y48 PolarHBondContact N-O 3.38Å; E26-Y48 WeakPolarHBondContact O-CD1 3.08Å; E26-Y48 PolarHBondContact O-N 2.92Å; E26-Y48 PolarHBondContact OE2-OH 3.05Å; Y27-Y48 WeakPolarHBondContact O-CE1 3.45Å; Y48-P50 HydrophobicContact CE2-CB 3.88Å; Y48-A53 WeakPolarHBondContact CE2-O 3.35Å; Y48-L55 HydrophobicContact CD1-CD1 3.83Å; Y48-L55 HydrophobicContact CD2-CD1 3.68Å; Y48-L55 HydrophobicContact CD2-CG 3.94Å; Y48-L55 HydrophobicContact CE1-CD1 3.97Å; Y48-L55 HydrophobicContact CE2-CB 4.33Å; Y48-L55 HydrophobicContact CE2-CD1 3.78Å; Y48-L55 HydrophobicContact CE2-CG 3.82Å; Y48-L55 HydrophobicContact CG-CD1 3.71Å; Y48-L55 HydrophobicContact CG-CG 4.46Å
49N72.6Confident79.2Confident11 Ų1181.6 Ų81.66%0.05941%0.409CS..  trans-98.5115.4171-175-19.5000108.6A24 Q51 W52 A53A24-N49 PolarHBondContact O-OD1 3.47Å; N49-Q51 PolarHBondContact O-N 3.23Å; N49-Q51 VanDerWaalsContact OD1-CB 3.28Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.25Å; N49-Q51 PolarHBondContact OD1-N 2.86Å; N49-W52 HydrophobicContact CB-CB 4.3Å; N49-W52 HydrophobicContact CB-CD2 3.72Å; N49-W52 HydrophobicContact CB-CE3 3.64Å; N49-W52 HydrophobicContact CB-CG 4.02Å; N49-W52 HydrophobicContact CB-CZ3 4.21Å; N49-W52 VanDerWaalsContact ND2-CE2 3.32Å; N49-W52 PolarHBondContact O-N 2.94Å; N49-A53 PolarHBondContact O-N 3.31Å; N49-A53 VanDerWaalsContact O-N 3.14Å
50P74.1Confident79.9Confident22 Ų2280.8 Ų80.814%0.14341%0.406CS..THydrogen-bonded Turntrans-64.5-2018028.5-36.7000113.2A24 E26 Y48 W52A24-P50 HydrophobicContact CB-CG 4.26Å; E26-P50 HydrophobicContact CB-CG 4.35Å; E26-P50 HydrophobicContact CG-CG 3.89Å; Y48-P50 HydrophobicContact CE2-CB 3.88Å; P50-W52 VanDerWaalsContact C-N 3.29Å
51Q70.6Confident80.3Confident150 Ų15079.1 Ų79.170%0.70140%0.396SS*.THydrogen-bonded Turntrans-73.7-19.7173.2-56.6-168.1-71.100113.1N49N49-Q51 PolarHBondContact O-N 3.23Å; N49-Q51 VanDerWaalsContact OD1-CB 3.28Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.25Å; N49-Q51 PolarHBondContact OD1-N 2.86Å
52W69.6Low80.4Confident145 Ų14580.1 Ų80.155%0.54940%0.402SS..THydrogen-bonded Turntrans-101.1-30.4-179.3-61.2-15.7000112.4N49 P50N49-W52 HydrophobicContact CB-CB 4.3Å; N49-W52 HydrophobicContact CB-CD2 3.72Å; N49-W52 HydrophobicContact CB-CE3 3.64Å; N49-W52 HydrophobicContact CB-CG 4.02Å; N49-W52 HydrophobicContact CB-CZ3 4.21Å; N49-W52 VanDerWaalsContact ND2-CE2 3.32Å; N49-W52 PolarHBondContact O-N 2.94Å; P50-W52 VanDerWaalsContact C-N 3.29Å
53A72.9Confident80.4Confident6 Ų679 Ų795%0.0541%0.41CS..  trans-144.2122.3179.800000110.5Y48 N49 L55 R139Y48-A53 WeakPolarHBondContact CE2-O 3.35Å; N49-A53 PolarHBondContact O-N 3.31Å; N49-A53 VanDerWaalsContact O-N 3.14Å; A53-L55 PolarHBondContact O-N 2.98Å; A53-R139 HydrophobicContact CB-CB 3.56Å
54H79.4Confident80.4Confident163 Ų16382 Ų8276%0.75542%0.42SS*.  trans-84113.3168.1-69.3-62.4000109.5
55L82.1Confident80.6Confident59 Ų5980 Ų8031%0.30942%0.416SS..  trans-90.8141.4173.1-61.4-179.8000109.9I46 Y48 A53I46-L55 HydrophobicContact CD1-CD1 3.93Å; Y48-L55 HydrophobicContact CD1-CD1 3.83Å; Y48-L55 HydrophobicContact CD2-CD1 3.68Å; Y48-L55 HydrophobicContact CD2-CG 3.94Å; Y48-L55 HydrophobicContact CE1-CD1 3.97Å; Y48-L55 HydrophobicContact CE2-CB 4.33Å; Y48-L55 HydrophobicContact CE2-CD1 3.78Å; Y48-L55 HydrophobicContact CE2-CG 3.82Å; Y48-L55 HydrophobicContact CG-CD1 3.71Å; Y48-L55 HydrophobicContact CG-CG 4.46Å; A53-L55 PolarHBondContact O-N 2.98Å
56P86Confident81Confident62 Ų6281.5 Ų81.540%0.40342%0.416SS..  trans-64.3146.1171.327.8-31.9000109.6D58 K61 A62P56-D58 VanDerWaalsContact C-N 3.3Å; P56-K61 HydrophobicContact CB-CB 4.03Å; P56-A62 HydrophobicContact CG-CB 3.9Å
57H85.2Confident81.4Confident188 Ų18884.5 Ų84.587%0.8743%0.432SS*.SBendtrans-76-23.3-178.4-64.339.7000112.2
58D83.5Confident82.1Confident73 Ų7387.5 Ų87.539%0.3944%0.443SS..SBendtrans-115.8134.3179.8-54.1-58000110.3P56 S60 K61P56-D58 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.2Å; D58-K61 HydrophobicContact CB-CD 4.2Å; D58-K61 HydrophobicContact CB-CG 4.37Å; D58-K61 PolarHBondContact O-N 3.14Å; D58-K61 WeakPolarHBondContact OD2-CE 3.34Å; D58-K61 IonicContact OD2-NZ 2.71Å; D58-K61 PolarHBondContact OD2-NZ 3.1Å
59L80.5Confident82.8Confident83 Ų8391.8 Ų91.844%0.43547%0.467SS..G310 helixtrans-60.2-30.3176.2-67.8176000112.7M29 H31 K61 A62M29-L59 HydrophobicContact CG-CD2 4.5Å; M29-L59 HydrophobicContact SD-CD1 3.91Å; H31-L59 HydrophobicContact CB-CD2 4.43Å; L59-K61 PolarHBondContact O-N 3.2Å; L59-A62 VanDerWaalsContact O-CB 3.29Å; L59-A62 WeakPolarHBondContact O-CB 3.28Å; L59-A62 PolarHBondContact O-N 2.93Å
60S81.9Confident83.8Confident111 Ų11194.4 Ų94.478%0.77648%0.477SS*.G310 helixtrans-64.4-20.7177.258.60000113.7D58D58-S60 PolarHBondContact O-N 3.2Å
61K86.2Confident84.6Confident142 Ų14296.2 Ų96.262%0.61749%0.487SS*.G310 helixtrans-96.8-5.5176.4-63170.9-176.21570112.2P56 D58 L59P56-K61 HydrophobicContact CB-CB 4.03Å; D58-K61 HydrophobicContact CB-CD 4.2Å; D58-K61 HydrophobicContact CB-CG 4.37Å; D58-K61 PolarHBondContact O-N 3.14Å; D58-K61 WeakPolarHBondContact OD2-CE 3.34Å; D58-K61 IonicContact OD2-NZ 2.71Å; D58-K61 PolarHBondContact OD2-NZ 3.1Å; L59-K61 PolarHBondContact O-N 3.2Å
62A86Confident85.6Confident41 Ų4194.3 Ų94.334%0.33950%0.497SS..SBendtrans-75141177.400000110.9P56 L59P56-A62 HydrophobicContact CG-CB 3.9Å; L59-A62 VanDerWaalsContact O-CB 3.29Å; L59-A62 WeakPolarHBondContact O-CB 3.28Å; L59-A62 PolarHBondContact O-N 2.93Å
63S84.9Confident86.7Confident100 Ų10088.2 Ų88.270%0.69948%0.477SS*.  trans-83.8130.2174-53.80000109.9L65S63-L65 PolarHBondContact O-N 2.89Å
64F86.7Confident87.6Confident149 Ų14991.3 Ų91.365%0.65449%0.492SS*.  trans-71.9115.8170.3-79.9-85.8000110V33V33-F64 HydrophobicContact CG1-CE1 4.08Å; V33-F64 HydrophobicContact CG2-CD1 4.02Å; V33-F64 HydrophobicContact CG2-CE1 3.78Å
65L89.1Confident88.3Confident72 Ų7283.5 Ų83.538%0.37746%0.456SS..  trans-112143.3176.9-67.2170.8000109.7S63 L67 I90 R113S63-L65 PolarHBondContact O-N 2.89Å; L65-L67 PolarHBondContact O-N 2.78Å; L65-I90 HydrophobicContact CB-CD1 3.74Å; L65-I90 HydrophobicContact CB-CG1 3.94Å; L65-I90 HydrophobicContact CD1-CD1 3.78Å; L65-I90 HydrophobicContact CD1-CG1 4.08Å; L65-I90 HydrophobicContact CG-CD1 4.4Å; L65-R113 HydrophobicContact CD1-CB 4.02Å; L65-R113 HydrophobicContact CD1-CG 3.71Å; L65-R113 HydrophobicContact CD2-CG 4.43Å
66Q91.5Very high88.9Confident100 Ų10082.6 Ų82.647%0.46745%0.454SS..  trans-65.6125.2178.4-83.7-72.8-11.600110.1Q89 I90Q66-Q89 HydrophobicContact CB-CG 3.98Å; Q66-Q89 WeakPolarHBondContact O-CA 3.49Å; Q66-Q89 WeakPolarHBondContact O-CB 3.35Å; Q66-I90 PolarHBondContact O-N 3.34Å
67L91Very high89.4Confident65 Ų6582.1 Ų82.134%0.3445%0.452SS..EExtended strand (participates in β ladder)trans-89.9119.2-180-159.669.6000108.9V32 L65 I90 L92 L116V32-L67 HydrophobicContact CG1-CD2 3.91Å; V32-L67 HydrophobicContact CG2-CD2 4.33Å; L65-L67 PolarHBondContact O-N 2.78Å; L67-I90 HydrophobicContact CD1-CB 4.06Å; L67-I90 HydrophobicContact CD1-CG2 3.99Å; L67-L92 HydrophobicContact CD1-CD1 3.23Å; L67-L92 HydrophobicContact CD2-CD1 3.68Å; L67-L92 HydrophobicContact CD2-CD2 4.42Å; L67-L92 HydrophobicContact CG-CD1 3.28Å; L67-L116 HydrophobicContact CD1-CD1 3.72Å
68R91.9Very high89.7Confident70 Ų7076.6 Ų76.626%0.26444%0.439SS..EExtended strand (participates in β ladder)trans-105.5119.6-179.5-166.6-170.3-171.9152.5-11.1110.2W70 G85 Q89 I90 P91 L92R68-W70 HydrophobicContact CG-CE3 4.32Å; R68-W70 VanDerWaalsContact NE-CZ3 3.3Å; R68-W70 VanDerWaalsContact NH2-CZ3 3.32Å; R68-W70 PolarHBondContact O-N 3.23Å; R68-G85 PolarHBondContact NH1-O 3Å; R68-Q89 HydrophobicContact CB-CB 4.3Å; R68-Q89 VanDerWaalsContact CD-OE1 3.26Å; R68-I90 PolarHBondContact N-O 2.87Å; R68-P91 CarbonylContact O-C 3.53Å; R68-P91 WeakPolarHBondContact O-CA 3.48Å; R68-L92 PolarHBondContact O-N 3.43Å
69N92.3Very high90.2Very high116 Ų11677.6 Ų77.662%0.6246%0.458SS*.EExtended strand (participates in β ladder)trans-69.5116.3172.1-173.3-3.4000110.1T71N69-T71 WeakPolarHBondContact OD1-CG2 3.48Å; N69-T71 PolarHBondContact OD1-N 3.48Å; N69-T71 PolarHBondContact OD1-OG1 3.03Å
70W94.4Very high90.9Very high66 Ų6675.9 Ų75.925%0.2545%0.449CS..  trans-13122.9175.5-143.1-109.8000111.4R68 A72 S73 D80 P82 F86 P91 L92 V93R68-W70 HydrophobicContact CG-CE3 4.32Å; R68-W70 VanDerWaalsContact NE-CZ3 3.3Å; R68-W70 VanDerWaalsContact NH2-CZ3 3.32Å; R68-W70 PolarHBondContact O-N 3.23Å; W70-A72 PolarHBondContact O-N 3.12Å; W70-A72 VanDerWaalsContact O-N 3.12Å; W70-S73 PolarHBondContact O-N 3.37Å; W70-D80 PolarHBondContact NE1-O 3.41Å; W70-D80 VanDerWaalsContact NE1-O 3.14Å; W70-P82 HydrophobicContact CH2-CB 3.83Å; W70-P82 HydrophobicContact CZ2-CB 3.72Å; W70-P82 HydrophobicContact CZ2-CG 4.14Å; W70-F86 HydrophobicContact CD2-CE1 4.15Å; W70-F86 HydrophobicContact CG-CE1 4.05Å; W70-F86 HydrophobicContact CG-CZ 4.46Å; W70-P91 HydrophobicContact CB-CB 4.23Å; W70-L92 CarbonylContact C-O 3.59Å; W70-L92 WeakPolarHBondContact CA-O 3.32Å; W70-L92 VanDerWaalsContact CB-O 3.26Å; W70-L92 WeakPolarHBondContact CB-O 3.18Å; W70-L92 PolarHBondContact N-O 3.05Å; W70-V93 HydrophobicContact CB-CG1 4.29Å
71T91.6Very high91.5Very high59 Ų5972.8 Ų72.836%0.36242%0.423SS..THydrogen-bonded Turntrans-70.7-11.3-170.460.20000113.6N69 S73 L92 A94 V118N69-T71 WeakPolarHBondContact OD1-CG2 3.48Å; N69-T71 PolarHBondContact OD1-N 3.48Å; N69-T71 PolarHBondContact OD1-OG1 3.03Å; T71-S73 PolarHBondContact O-N 3.02Å; T71-L92 HydrophobicContact CG2-CB 3.81Å; T71-L92 PolarHBondContact N-O 3.45Å; T71-A94 WeakPolarHBondContact O-CB 3.48Å; T71-V118 HydrophobicContact CG2-CG2 4.33Å
72A91.6Very high91.8Very high111 Ų11166.6 Ų66.692%0.91740%0.398SS*.THydrogen-bonded Turntrans-70.9-18.1171.800000112.6W70W70-A72 PolarHBondContact O-N 3.12Å; W70-A72 VanDerWaalsContact O-N 3.12Å
73S92.1Very high92Very high17 Ų1770.1 Ų70.112%0.11943%0.427CS..  trans-107.1149.8176.6179.40000111.6W70 T71 L75 D80 A94W70-S73 PolarHBondContact O-N 3.37Å; T71-S73 PolarHBondContact O-N 3.02Å; S73-L75 PolarHBondContact OG-N 3.26Å; S73-D80 VanDerWaalsContact OG-CB 3.32Å; S73-D80 WeakPolarHBondContact OG-CB 3.4Å; S73-D80 PolarHBondContact OG-OD1 2.94Å; S73-A94 PolarHBondContact O-N 3.13Å
74L92.4Very high92.3Very high70 Ų7076.2 Ų76.237%0.36643%0.434SS..  trans-85.5-15169.9-55.5-176.7000112.1C76 A94 K103L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 3.2Å; L74-A94 HydrophobicContact CD2-CB 4.02Å; L74-K103 PolarHBondContact O-NZ 3.4Å
75L93.9Very high92.6Very high0 Ų069.6 Ų69.60%041%0.408CS..  trans51.850.4-176.4-16570.3000112.7S73 D80 L81 F86 V93 K103 L106 A107 L115S73-L75 PolarHBondContact OG-N 3.26Å; L75-D80 HydrophobicContact CD1-CB 4.21Å; L75-L81 HydrophobicContact CD1-CD2 3.63Å; L75-L81 HydrophobicContact CD1-CG 4.45Å; L75-F86 HydrophobicContact CD1-CE2 4.16Å; L75-F86 HydrophobicContact CD1-CZ 4.06Å; L75-F86 HydrophobicContact CD2-CE2 4.38Å; L75-V93 HydrophobicContact CB-CB 4.32Å; L75-V93 HydrophobicContact CB-CG1 3.89Å; L75-V93 HydrophobicContact CD2-CG1 3.89Å; L75-V93 HydrophobicContact CG-CG1 4.46Å; L75-K103 HydrophobicContact CD2-CB 4.49Å; L75-K103 WeakPolarHBondContact O-CG 3.2Å; L75-L106 HydrophobicContact CD1-CB 4.49Å; L75-L106 HydrophobicContact CG-CB 4.31Å; L75-L106 WeakPolarHBondContact O-CD1 3.3Å; L75-A107 HydrophobicContact CD2-CB 3.93Å; L75-L115 HydrophobicContact CD2-CD1 3.9Å; L75-L115 HydrophobicContact CD2-CD2 4.43Å
76C94.8Very high92.7Very high40 Ų4066.1 Ų66.127%0.2739%0.39SS..  trans-104.2-9.7-179.1-65.30000112.8L74 D80 C98L74-C76 VanDerWaalsContact C-N 3.34Å; L74-C76 PolarHBondContact O-N 3.2Å; C76-D80 PolarHBondContact N-OD2 3.35Å; C76-C98 WeakPolarHBondContact CA-SG 3.36Å; C76-C98 HydrophobicContact CB-CB 3.62Å; C76-C98 WeakPolarHBondContact CB-SG 3.41Å; C76-C98 WeakPolarHBondContact SG-CB 3.4Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 2.93Å
77S95.2Very high92.6Very high51 Ų5165 Ų6536%0.35739%0.392SS..SBendtrans-142.7165.9-178.671.50000112.1A79 D80S77-A79 PolarHBondContact O-N 3.34Å; S77-A79 PolarHBondContact OG-N 3.17Å; S77-D80 PolarHBondContact N-OD2 2.83Å; S77-D80 VanDerWaalsContact O-CB 3.32Å; S77-D80 WeakPolarHBondContact O-CB 3.49Å; S77-D80 PolarHBondContact O-N 2.95Å; S77-D80 VanDerWaalsContact O-N 3.11Å; S77-D80 PolarHBondContact OG-OD2 3.3Å
78A92.9Very high92.4Very high72 Ų7267.5 Ų67.560%0.59541%0.407SS*.G310 helixtrans-63.4-25.317400000112.9D80 L81A78-D80 PolarHBondContact O-N 3.42Å; A78-L81 WeakPolarHBondContact O-CB 3.19Å; A78-L81 PolarHBondContact O-N 3.42Å
79A93.7Very high92.3Very high95 Ų9566.9 Ų66.979%0.78541%0.406SS*.G310 helixtrans-68.7-19.9175.900000112.9S77 L81S77-A79 PolarHBondContact O-N 3.34Å; S77-A79 PolarHBondContact OG-N 3.17Å; A79-L81 PolarHBondContact O-N 3.35Å
80D94.3Very high92.3Very high47 Ų4762.8 Ų62.825%0.25138%0.384SS..G310 helixtrans-79.5-7.8176.5-67-56000113.3W70 S73 L75 C76 S77 A78W70-D80 PolarHBondContact NE1-O 3.41Å; W70-D80 VanDerWaalsContact NE1-O 3.14Å; S73-D80 VanDerWaalsContact OG-CB 3.32Å; S73-D80 WeakPolarHBondContact OG-CB 3.4Å; S73-D80 PolarHBondContact OG-OD1 2.94Å; L75-D80 HydrophobicContact CD1-CB 4.21Å; C76-D80 PolarHBondContact N-OD2 3.35Å; S77-D80 PolarHBondContact N-OD2 2.83Å; S77-D80 VanDerWaalsContact O-CB 3.32Å; S77-D80 WeakPolarHBondContact O-CB 3.49Å; S77-D80 PolarHBondContact O-N 2.95Å; S77-D80 VanDerWaalsContact O-N 3.11Å; S77-D80 PolarHBondContact OG-OD2 3.3Å; A78-D80 PolarHBondContact O-N 3.42Å
81L94.4Very high92.3Very high45 Ų4559.7 Ų59.724%0.23637%0.373CS..SBendtrans-79.5139.8-177.3-66.8172.9000111.6L75 A78 A79 F86 L106L75-L81 HydrophobicContact CD1-CD2 3.63Å; L75-L81 HydrophobicContact CD1-CG 4.45Å; A78-L81 WeakPolarHBondContact O-CB 3.19Å; A78-L81 PolarHBondContact O-N 3.42Å; A79-L81 PolarHBondContact O-N 3.35Å; L81-F86 HydrophobicContact CD2-CE2 3.82Å; L81-F86 HydrophobicContact CD2-CZ 4.44Å; L81-L106 HydrophobicContact CD1-CD2 4.45Å; L81-L106 HydrophobicContact CD2-CB 4.42Å
82P93.6Very high92.3Very high13 Ų1358.6 Ų58.68%0.08436%0.364CS..  trans-62.3144.6169.323.8-30.6000110.9W70 R84 G85 F86W70-P82 HydrophobicContact CH2-CB 3.83Å; W70-P82 HydrophobicContact CZ2-CB 3.72Å; W70-P82 HydrophobicContact CZ2-CG 4.14Å; P82-R84 PolarHBondContact O-N 3.06Å; P82-R84 VanDerWaalsContact O-N 3.08Å; P82-G85 VanDerWaalsContact CG-C 3.48Å; P82-G85 WeakPolarHBondContact CG-O 3.38Å; P82-G85 PolarHBondContact O-N 3.41Å; P82-F86 HydrophobicContact CG-CD1 3.83Å; P82-F86 HydrophobicContact CG-CE1 3.67Å; P82-F86 HydrophobicContact CG-CG 4.31Å; P82-F86 HydrophobicContact CG-CZ 4.05Å
83A90.8Very high92.4Very high114 Ų11453.3 Ų53.394%0.94232%0.321SS*.THydrogen-bonded Turntrans-56.1-30.4-176.800000114.7
84R90.2Very high92.4Very high229 Ų22953.6 Ų53.686%0.86432%0.324SS*.THydrogen-bonded Turntrans-104.513.1176.6-61.9-171.7-176.8178.21.3113.4P82 S87P82-R84 PolarHBondContact O-N 3.06Å; P82-R84 VanDerWaalsContact O-N 3.08Å; R84-S87 PolarHBondContact O-OG 3.32Å
85G92.2Very high92.2Very high9 Ų955 Ų559%0.09333%0.325CS..  trans64.7-169.3-173.300000114.3R68 P82 S110R68-G85 PolarHBondContact NH1-O 3Å; P82-G85 VanDerWaalsContact CG-C 3.48Å; P82-G85 WeakPolarHBondContact CG-O 3.38Å; P82-G85 PolarHBondContact O-N 3.41Å; G85-S110 WeakPolarHBondContact CA-OG 3.33Å
86F92.4Very high91.9Very high0 Ų056.2 Ų56.20%034%0.337CS..  trans-89.2-15.6-177.8-65.8-63.1000113.3W70 L75 L81 P82 N88 Q89 P91 A107 S110 A112W70-F86 HydrophobicContact CD2-CE1 4.15Å; W70-F86 HydrophobicContact CG-CE1 4.05Å; W70-F86 HydrophobicContact CG-CZ 4.46Å; L75-F86 HydrophobicContact CD1-CE2 4.16Å; L75-F86 HydrophobicContact CD1-CZ 4.06Å; L75-F86 HydrophobicContact CD2-CE2 4.38Å; L81-F86 HydrophobicContact CD2-CE2 3.82Å; L81-F86 HydrophobicContact CD2-CZ 4.44Å; P82-F86 HydrophobicContact CG-CD1 3.83Å; P82-F86 HydrophobicContact CG-CE1 3.67Å; P82-F86 HydrophobicContact CG-CG 4.31Å; P82-F86 HydrophobicContact CG-CZ 4.05Å; F86-N88 PolarHBondContact O-N 3.36Å; F86-Q89 WeakPolarHBondContact O-CB 2.98Å; F86-Q89 WeakPolarHBondContact O-CG 3.47Å; F86-Q89 PolarHBondContact O-N 3.28Å; F86-Q89 VanDerWaalsContact O-N 3.07Å; F86-P91 HydrophobicContact CD1-CB 3.7Å; F86-P91 HydrophobicContact CD1-CG 3.75Å; F86-P91 HydrophobicContact CD2-CG 3.97Å; F86-P91 HydrophobicContact CE1-CB 3.49Å; F86-P91 VanDerWaalsContact CE1-CB 3.49Å; F86-P91 HydrophobicContact CE1-CG 3.83Å; F86-P91 HydrophobicContact CE2-CB 4.48Å; F86-P91 HydrophobicContact CE2-CG 4.02Å; F86-P91 HydrophobicContact CG-CB 4.31Å; F86-P91 HydrophobicContact CG-CG 3.83Å; F86-P91 HydrophobicContact CZ-CB 3.91Å; F86-P91 HydrophobicContact CZ-CG 3.95Å; F86-A107 HydrophobicContact CE2-CB 4.44Å; F86-S110 PolarHBondContact N-O 3.37Å; F86-A112 HydrophobicContact CB-CB 3.85Å; F86-A112 HydrophobicContact CD2-CB 3.88Å; F86-A112 HydrophobicContact CG-CB 4.14Å
87S89.4Confident91.6Very high75 Ų7561.4 Ų61.452%0.52436%0.362SS..THydrogen-bonded Turntrans5058.7166.6-63.90000114.3R84 Q89R84-S87 PolarHBondContact O-OG 3.32Å; S87-Q89 PolarHBondContact O-N 2.85Å
88N85.6Confident91.4Very high119 Ų11960 Ų6064%0.63635%0.352SS*.THydrogen-bonded Turntrans65.813.5-178.9-57.4-48.3000116F86 G111F86-N88 PolarHBondContact O-N 3.36Å; N88-G111 PolarHBondContact N-O 3.11Å
89Q91.4Very high91.1Very high56 Ų5660.1 Ų60.126%0.26235%0.345SS..  trans-92.4165.8175.2-57.8174.3-7.700111.4Q66 R68 F86 S87 P91 A112 R113Q66-Q89 HydrophobicContact CB-CG 3.98Å; Q66-Q89 WeakPolarHBondContact O-CA 3.49Å; Q66-Q89 WeakPolarHBondContact O-CB 3.35Å; R68-Q89 HydrophobicContact CB-CB 4.3Å; R68-Q89 VanDerWaalsContact CD-OE1 3.26Å; F86-Q89 WeakPolarHBondContact O-CB 2.98Å; F86-Q89 WeakPolarHBondContact O-CG 3.47Å; F86-Q89 PolarHBondContact O-N 3.28Å; F86-Q89 VanDerWaalsContact O-N 3.07Å; S87-Q89 PolarHBondContact O-N 2.85Å; Q89-P91 WeakPolarHBondContact O-CD 3.49Å; Q89-A112 WeakPolarHBondContact O-CA 3.3Å; Q89-R113 PolarHBondContact O-N 3.48Å
90I92.1Very high90.6Very high31 Ų3159.1 Ų59.116%0.15932%0.324CS..EExtended strand (participates in β ladder)trans-104.3101.3170.8-59.7179.7000108.4L65 Q66 L67 R68 L116L65-I90 HydrophobicContact CB-CD1 3.74Å; L65-I90 HydrophobicContact CB-CG1 3.94Å; L65-I90 HydrophobicContact CD1-CD1 3.78Å; L65-I90 HydrophobicContact CD1-CG1 4.08Å; L65-I90 HydrophobicContact CG-CD1 4.4Å; Q66-I90 PolarHBondContact O-N 3.34Å; L67-I90 HydrophobicContact CD1-CB 4.06Å; L67-I90 HydrophobicContact CD1-CG2 3.99Å; R68-I90 PolarHBondContact N-O 2.87Å; I90-L116 HydrophobicContact CG2-CB 4.39Å; I90-L116 HydrophobicContact CG2-CD1 3.89Å; I90-L116 HydrophobicContact CG2-CG 3.62Å
91P93.6Very high90.1Very high0 Ų064.2 Ų64.20%034%0.34CS..EExtended strand (participates in β ladder)trans-68137171.524.6-35.3000113.1R68 W70 F86 Q89 V93 A112 G114 L115 L116R68-P91 CarbonylContact O-C 3.53Å; R68-P91 WeakPolarHBondContact O-CA 3.48Å; W70-P91 HydrophobicContact CB-CB 4.23Å; F86-P91 HydrophobicContact CD1-CB 3.7Å; F86-P91 HydrophobicContact CD1-CG 3.75Å; F86-P91 HydrophobicContact CD2-CG 3.97Å; F86-P91 HydrophobicContact CE1-CB 3.49Å; F86-P91 VanDerWaalsContact CE1-CB 3.49Å; F86-P91 HydrophobicContact CE1-CG 3.83Å; F86-P91 HydrophobicContact CE2-CB 4.48Å; F86-P91 HydrophobicContact CE2-CG 4.02Å; F86-P91 HydrophobicContact CG-CB 4.31Å; F86-P91 HydrophobicContact CG-CG 3.83Å; F86-P91 HydrophobicContact CZ-CB 3.91Å; F86-P91 HydrophobicContact CZ-CG 3.95Å; Q89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-V93 HydrophobicContact CB-CG1 4.35Å; P91-A112 HydrophobicContact CG-CB 4.13Å; P91-G114 VanDerWaalsContact CD-O 3.3Å; P91-G114 WeakPolarHBondContact CD-O 3.44Å; P91-L115 HydrophobicContact CB-CD1 4.35Å; P91-L115 HydrophobicContact CG-CD1 3.76Å; P91-L116 PolarHBondContact O-N 3.45Å
92L92.8Very high89.8Confident36 Ų3666.4 Ų66.419%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-91.3119.1162-87.169.2000108.8L67 R68 W70 T71 L116 V118L67-L92 HydrophobicContact CD1-CD1 3.23Å; L67-L92 HydrophobicContact CD2-CD1 3.68Å; L67-L92 HydrophobicContact CD2-CD2 4.42Å; L67-L92 HydrophobicContact CG-CD1 3.28Å; R68-L92 PolarHBondContact O-N 3.43Å; W70-L92 CarbonylContact C-O 3.59Å; W70-L92 WeakPolarHBondContact CA-O 3.32Å; W70-L92 VanDerWaalsContact CB-O 3.26Å; W70-L92 WeakPolarHBondContact CB-O 3.18Å; W70-L92 PolarHBondContact N-O 3.05Å; T71-L92 HydrophobicContact CG2-CB 3.81Å; T71-L92 PolarHBondContact N-O 3.45Å; L92-L116 CarbonylContact C-O 2.86Å; L92-L116 VanDerWaalsContact CA-O 3.3Å; L92-L116 WeakPolarHBondContact CA-O 3.49Å; L92-L116 HydrophobicContact CD1-CB 4.14Å; L92-L116 HydrophobicContact CD1-CD1 3.95Å; L92-L116 HydrophobicContact CG-CB 4.09Å; L92-V118 HydrophobicContact CB-CG2 4.24Å; L92-V118 HydrophobicContact CD2-CG2 3.97Å; L92-V118 HydrophobicContact CG-CG2 4.07Å
93V93.1Very high89.7Confident0 Ų065.8 Ų65.80%035%0.345CS..EExtended strand (participates in β ladder)trans-118.4152.9178.9-60.40000110.8W70 L75 P91 L115 L116 I117 V118W70-V93 HydrophobicContact CB-CG1 4.29Å; L75-V93 HydrophobicContact CB-CB 4.32Å; L75-V93 HydrophobicContact CB-CG1 3.89Å; L75-V93 HydrophobicContact CD2-CG1 3.89Å; L75-V93 HydrophobicContact CG-CG1 4.46Å; P91-V93 HydrophobicContact CB-CG1 4.35Å; V93-L115 HydrophobicContact CB-CD1 4.35Å; V93-L115 HydrophobicContact CG1-CD1 3.76Å; V93-L115 HydrophobicContact CG2-CD1 3.66Å; V93-L115 HydrophobicContact CG2-CD2 4.32Å; V93-L115 HydrophobicContact CG2-CG 4.15Å; V93-L116 PolarHBondContact N-O 2.94Å; V93-I117 HydrophobicContact CG2-CB 4.39Å; V93-I117 HydrophobicContact CG2-CG1 3.91Å; V93-I117 HydrophobicContact CG2-CG2 4.47Å; V93-I117 CarbonylContact O-C 3.58Å; V93-I117 WeakPolarHBondContact O-CA 3.32Å; V93-V118 PolarHBondContact O-N 2.98Å
94A90.7Very high89.6Confident24 Ų2461 Ų6120%0.19830%0.304CS..EExtended strand (participates in β ladder)trans-77.3147.3173.900000111.5T71 S73 L74 G96 K103T71-A94 WeakPolarHBondContact O-CB 3.48Å; S73-A94 PolarHBondContact O-N 3.13Å; L74-A94 HydrophobicContact CD2-CB 4.02Å; A94-G96 PolarHBondContact O-N 2.58Å; A94-K103 PolarHBondContact O-NZ 2.62Å; A94-K103 VanDerWaalsContact O-NZ 3.13Å
95R89.9Confident89.5Confident99 Ų9958.4 Ų58.437%0.37430%0.295SS..  trans-60.5133.3164.1-172.3177.7-175.2-173.9-0.8109I117 V118 S119 R122R95-I117 HydrophobicContact CB-CG2 4.31Å; R95-V118 PolarHBondContact N-O 3.32Å; R95-S119 WeakPolarHBondContact CD-OG 3.47Å; R95-R122 PolarHBondContact NH1-O 2.89Å
96G87.2Confident89.5Confident25 Ų2559.8 Ų59.826%0.25830%0.3SS..  trans-131.8-159.5178.500000110.8A94A94-G96 PolarHBondContact O-N 2.58Å
97N88.8Confident89.5Confident150 Ų15059.9 Ų59.980%0.80230%0.3SS*.SBendtrans-86.8-14.3178.761.2-10.1000114.2
98C89.6Confident89.5Confident20 Ų2060.5 Ų60.514%0.13530%0.295CS..SBendtrans-82157.9172.863.20000112.4C76 E102 K103C76-C98 WeakPolarHBondContact CA-SG 3.36Å; C76-C98 HydrophobicContact CB-CB 3.62Å; C76-C98 WeakPolarHBondContact CB-SG 3.41Å; C76-C98 WeakPolarHBondContact SG-CB 3.4Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 2.93Å; C98-E102 WeakPolarHBondContact CB-OE2 3.46Å; C98-K103 WeakPolarHBondContact SG-CE 3.22Å; C98-K103 PolarHBondContact SG-NZ 3.37Å; C98-K103 VanDerWaalsContact SG-NZ 3.45Å
99T86.8Confident89.7Confident75 Ų7558.4 Ų58.446%0.4630%0.302SS..  trans-68.9158.3-17867.70000112Y101 E102 K103T99-Y101 VanDerWaalsContact C-N 3.26Å; T99-Y101 PolarHBondContact O-N 3.01Å; T99-E102 PolarHBondContact N-OE2 2.93Å; T99-E102 PolarHBondContact O-N 3.43Å; T99-E102 VanDerWaalsContact OG1-CD 3.25Å; T99-E102 VanDerWaalsContact OG1-CG 3.22Å; T99-E102 WeakPolarHBondContact OG1-CG 3.19Å; T99-E102 PolarHBondContact OG1-N 3.33Å; T99-E102 VanDerWaalsContact OG1-N 3.17Å; T99-E102 PolarHBondContact OG1-OE2 3.4Å; T99-K103 WeakPolarHBondContact O-CG 3.32Å; T99-K103 PolarHBondContact O-N 2.91Å
100F84.8Confident89.8Confident75 Ų7556.9 Ų56.933%0.32930%0.297SS..Hα-helixtrans-61.8-38.4172.7-59.7-32.9000111.8E102 K103 V104 I117 L123F100-E102 PolarHBondContact O-N 2.95Å; F100-K103 PolarHBondContact O-N 3.32Å; F100-V104 WeakPolarHBondContact O-CB 3.38Å; F100-V104 WeakPolarHBondContact O-CG2 3.05Å; F100-V104 PolarHBondContact O-N 2.92Å; F100-I117 HydrophobicContact CB-CD1 4.07Å; F100-I117 HydrophobicContact CD1-CD1 3.42Å; F100-I117 VanDerWaalsContact CD1-CD1 3.42Å; F100-I117 HydrophobicContact CD1-CG2 4.41Å; F100-I117 HydrophobicContact CE1-CD1 4.1Å; F100-I117 HydrophobicContact CE1-CG2 4.11Å; F100-I117 HydrophobicContact CG-CD1 3.96Å; F100-L123 HydrophobicContact CE1-CD2 4.5Å; F100-L123 HydrophobicContact CZ-CD1 4.17Å; F100-L123 HydrophobicContact CZ-CD2 3.77Å
101Y82.8Confident89.7Confident153 Ų15357 Ų5760%0.631%0.306SS*.Hα-helixtrans-59.5-43.8179-177.9-99.4000112.5T99 V104 R105T99-Y101 VanDerWaalsContact C-N 3.26Å; T99-Y101 PolarHBondContact O-N 3.01Å; Y101-V104 PolarHBondContact O-N 3.15Å; Y101-R105 WeakPolarHBondContact O-CB 3.03Å; Y101-R105 PolarHBondContact O-N 3.4Å
102E88.6Confident89.6Confident91 Ų9157.2 Ų57.243%0.42531%0.308SS..Hα-helixtrans-61.8-46.5177.7-74.1161.7150.600112.1C98 T99 F100 V104 R105 L106C98-E102 WeakPolarHBondContact CB-OE2 3.46Å; T99-E102 PolarHBondContact N-OE2 2.93Å; T99-E102 PolarHBondContact O-N 3.43Å; T99-E102 VanDerWaalsContact OG1-CD 3.25Å; T99-E102 VanDerWaalsContact OG1-CG 3.22Å; T99-E102 WeakPolarHBondContact OG1-CG 3.19Å; T99-E102 PolarHBondContact OG1-N 3.33Å; T99-E102 VanDerWaalsContact OG1-N 3.17Å; T99-E102 PolarHBondContact OG1-OE2 3.4Å; F100-E102 PolarHBondContact O-N 2.95Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.42Å; E102-R105 PolarHBondContact O-N 3.39Å; E102-L106 WeakPolarHBondContact O-CG 3.28Å; E102-L106 PolarHBondContact O-N 3.18Å
103K91.6Very high89.4Confident0 Ų060 Ų600%032%0.316CS..Hα-helixtrans-59.5-44.6177.7-62.4167.2-174.5-77.20111.2L74 L75 A94 C98 T99 F100 L106 A107 L115 I117L74-K103 PolarHBondContact O-NZ 3.4Å; L75-K103 HydrophobicContact CD2-CB 4.49Å; L75-K103 WeakPolarHBondContact O-CG 3.2Å; A94-K103 PolarHBondContact O-NZ 2.62Å; A94-K103 VanDerWaalsContact O-NZ 3.13Å; C98-K103 WeakPolarHBondContact SG-CE 3.22Å; C98-K103 PolarHBondContact SG-NZ 3.37Å; C98-K103 VanDerWaalsContact SG-NZ 3.45Å; T99-K103 WeakPolarHBondContact O-CG 3.32Å; T99-K103 PolarHBondContact O-N 2.91Å; F100-K103 PolarHBondContact O-N 3.32Å; K103-L106 PolarHBondContact O-N 2.87Å; K103-A107 WeakPolarHBondContact O-CB 3.34Å; K103-A107 PolarHBondContact O-N 2.9Å; K103-L115 HydrophobicContact CB-CD2 3.66Å; K103-I117 HydrophobicContact CD-CD1 3.87Å; K103-I117 HydrophobicContact CD-CG1 4.45Å
104V87.5Confident89.1Confident14 Ų1460.5 Ų60.59%0.08532%0.321CS..Hα-helixtrans-62.3-46.4179.6169.60000110.6F100 Y101 E102 L106 A107 Q108 L115 A138F100-V104 WeakPolarHBondContact O-CB 3.38Å; F100-V104 WeakPolarHBondContact O-CG2 3.05Å; F100-V104 PolarHBondContact O-N 2.92Å; Y101-V104 PolarHBondContact O-N 3.15Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.42Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 2.96Å; V104-A107 PolarHBondContact O-N 3.21Å; V104-Q108 HydrophobicContact CG1-CG 4.11Å; V104-Q108 VanDerWaalsContact CG1-NE2 3.26Å; V104-Q108 WeakPolarHBondContact O-CB 3.49Å; V104-Q108 VanDerWaalsContact O-CG 3.25Å; V104-Q108 WeakPolarHBondContact O-CG 3.46Å; V104-Q108 PolarHBondContact O-N 2.03Å; V104-L115 HydrophobicContact CG2-CD2 3.87Å; V104-A138 HydrophobicContact CB-CB 4.13Å; V104-A138 HydrophobicContact CG1-CB 3.57Å; V104-A138 HydrophobicContact CG2-CB 3.38Å
105R88.4Confident89.1Confident174 Ų17459.5 Ų59.566%0.65731%0.312SS*.Hα-helixtrans-58.4-43.4177.2-175.8-179.1178.1-170.40.1112.1Y101 E102 G109Y101-R105 WeakPolarHBondContact O-CB 3.03Å; Y101-R105 PolarHBondContact O-N 3.4Å; E102-R105 PolarHBondContact O-N 3.39Å; R105-G109 PolarHBondContact O-N 3.31Å
106L92.8Very high89.1Confident39 Ų3955.3 Ų55.320%0.20430%0.297CS..Hα-helixtrans-66-45.6177.1-72.1169.9000111.9L75 L81 E102 K103 V104 S110L75-L106 HydrophobicContact CD1-CB 4.49Å; L75-L106 HydrophobicContact CG-CB 4.31Å; L75-L106 WeakPolarHBondContact O-CD1 3.3Å; L81-L106 HydrophobicContact CD1-CD2 4.45Å; L81-L106 HydrophobicContact CD2-CB 4.42Å; E102-L106 WeakPolarHBondContact O-CG 3.28Å; E102-L106 PolarHBondContact O-N 3.18Å; K103-L106 PolarHBondContact O-N 2.87Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 2.96Å; L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.79Å; L106-S110 VanDerWaalsContact O-N 3.13Å
107A92.6Very high89.1Confident1 Ų154.3 Ų54.31%0.00829%0.286CS..Hα-helixtrans-61.5-51.6178.900000111.9L75 F86 K103 V104 G109 S110 G111 A112 L115L75-A107 HydrophobicContact CD2-CB 3.93Å; F86-A107 HydrophobicContact CE2-CB 4.44Å; K103-A107 WeakPolarHBondContact O-CB 3.34Å; K103-A107 PolarHBondContact O-N 2.9Å; V104-A107 PolarHBondContact O-N 3.21Å; A107-G109 PolarHBondContact O-N 2.96Å; A107-S110 CarbonylContact O-C 3.6Å; A107-S110 PolarHBondContact O-N 3.32Å; A107-S110 VanDerWaalsContact O-N 3.09Å; A107-G111 PolarHBondContact O-N 2.9Å; A107-A112 HydrophobicContact CB-CB 3.86Å; A107-A112 WeakPolarHBondContact O-CB 3.43Å; A107-A112 PolarHBondContact O-N 3.3Å; A107-L115 HydrophobicContact CB-CB 4.21Å; A107-L115 HydrophobicContact CB-CD1 4.02Å; A107-L115 HydrophobicContact CB-CD2 4.25Å; A107-L115 HydrophobicContact CB-CG 4.4Å
108Q89.1Confident89Confident89 Ų8949.6 Ų49.642%0.41626%0.262SS..Hα-helixtrans-58.7-48.1177.9-72.7168.8-15.300111.3V104 S110 G111 R139V104-Q108 HydrophobicContact CG1-CG 4.11Å; V104-Q108 VanDerWaalsContact CG1-NE2 3.26Å; V104-Q108 WeakPolarHBondContact O-CB 3.49Å; V104-Q108 VanDerWaalsContact O-CG 3.25Å; V104-Q108 WeakPolarHBondContact O-CG 3.46Å; V104-Q108 PolarHBondContact O-N 2.03Å; Q108-S110 PolarHBondContact O-N 2.89Å; Q108-S110 VanDerWaalsContact O-N 3.11Å; Q108-G111 PolarHBondContact O-N 3.48Å; Q108-R139 PolarHBondContact NE2-O 3.29Å
109G90Very high88.5Confident75 Ų7549 Ų4977%0.77326%0.258SS*.Hα-helixtrans-61.6-19.4177.900000113.7R105 A107R105-G109 PolarHBondContact O-N 3.31Å; A107-G109 PolarHBondContact O-N 2.96Å
110S93Very high87.8Confident23 Ų2357.4 Ų57.416%0.16128%0.282CS..THydrogen-bonded Turntrans-10317.4177-158.30000113.4G85 F86 L106 A107 Q108G85-S110 WeakPolarHBondContact CA-OG 3.33Å; F86-S110 PolarHBondContact N-O 3.37Å; L106-S110 WeakPolarHBondContact O-CB 3.39Å; L106-S110 PolarHBondContact O-N 2.79Å; L106-S110 VanDerWaalsContact O-N 3.13Å; A107-S110 CarbonylContact O-C 3.6Å; A107-S110 PolarHBondContact O-N 3.32Å; A107-S110 VanDerWaalsContact O-N 3.09Å; Q108-S110 PolarHBondContact O-N 2.89Å; Q108-S110 VanDerWaalsContact O-N 3.11Å
111G90.4Very high86.9Confident34 Ų3460.5 Ų60.535%0.35130%0.297SS..THydrogen-bonded Turntrans75.322.7173.600000114.7N88 A107 Q108N88-G111 PolarHBondContact N-O 3.11Å; A107-G111 PolarHBondContact O-N 2.9Å; Q108-G111 PolarHBondContact O-N 3.48Å
112A91.9Very high85.7Confident5 Ų557.3 Ų57.34%0.04128%0.284CS..  trans-68.5144.1168.400000110.2F86 Q89 P91 A107F86-A112 HydrophobicContact CB-CB 3.85Å; F86-A112 HydrophobicContact CD2-CB 3.88Å; F86-A112 HydrophobicContact CG-CB 4.14Å; Q89-A112 WeakPolarHBondContact O-CA 3.3Å; P91-A112 HydrophobicContact CG-CB 4.13Å; A107-A112 HydrophobicContact CB-CB 3.86Å; A107-A112 WeakPolarHBondContact O-CB 3.43Å; A107-A112 PolarHBondContact O-N 3.3Å
113R88.3Confident84.1Confident95 Ų9553.6 Ų53.636%0.35827%0.267SS..SBendtrans-91.5-14.2175.8-164.952.8-75.9165.321.3113.6L65 Q89 R139L65-R113 HydrophobicContact CD1-CB 4.02Å; L65-R113 HydrophobicContact CD1-CG 3.71Å; L65-R113 HydrophobicContact CD2-CG 4.43Å; Q89-R113 PolarHBondContact O-N 3.48Å; R113-R139 PolarHBondContact NH2-OXT 2.98Å
114G87.6Confident82Confident10 Ų1060.8 Ų60.810%0.10331%0.305CS..  trans-168.9172.4167.100000108.4P91 A138P91-G114 VanDerWaalsContact CD-O 3.3Å; P91-G114 WeakPolarHBondContact CD-O 3.44Å; G114-A138 CarbonylContact C-O 3.59Å; G114-A138 VanDerWaalsContact CA-O 3.25Å; G114-A138 WeakPolarHBondContact CA-O 3.42Å
115L88.9Confident80Confident2 Ų263.5 Ų63.51%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-128.4132.9177179.267.7000108.8L75 P91 V93 K103 V104 A107 I117 A137 A138L75-L115 HydrophobicContact CD2-CD1 3.9Å; L75-L115 HydrophobicContact CD2-CD2 4.43Å; P91-L115 HydrophobicContact CB-CD1 4.35Å; P91-L115 HydrophobicContact CG-CD1 3.76Å; V93-L115 HydrophobicContact CB-CD1 4.35Å; V93-L115 HydrophobicContact CG1-CD1 3.76Å; V93-L115 HydrophobicContact CG2-CD1 3.66Å; V93-L115 HydrophobicContact CG2-CD2 4.32Å; V93-L115 HydrophobicContact CG2-CG 4.15Å; K103-L115 HydrophobicContact CB-CD2 3.66Å; V104-L115 HydrophobicContact CG2-CD2 3.87Å; A107-L115 HydrophobicContact CB-CB 4.21Å; A107-L115 HydrophobicContact CB-CD1 4.02Å; A107-L115 HydrophobicContact CB-CD2 4.25Å; A107-L115 HydrophobicContact CB-CG 4.4Å; L115-I117 HydrophobicContact CD2-CD1 4.12Å; L115-I117 HydrophobicContact CD2-CG1 3.98Å; L115-I117 HydrophobicContact CG-CG1 4.08Å; L115-A137 VanDerWaalsContact O-CA 3.29Å; L115-A137 WeakPolarHBondContact O-CA 3.5Å; L115-A138 PolarHBondContact N-O 3.19Å; L115-A138 VanDerWaalsContact N-O 3.12Å
116L90.3Very high77.6Confident12 Ų1266.7 Ų66.76%0.06333%0.328CS..EExtended strand (participates in β ladder)trans-111.3118.3172-67.5-179000109.7V30 L67 I90 P91 L92 V93 V135 S136 A137V30-L116 HydrophobicContact CG2-CD2 4.47Å; L67-L116 HydrophobicContact CD1-CD1 3.72Å; I90-L116 HydrophobicContact CG2-CB 4.39Å; I90-L116 HydrophobicContact CG2-CD1 3.89Å; I90-L116 HydrophobicContact CG2-CG 3.62Å; P91-L116 PolarHBondContact O-N 3.45Å; L92-L116 CarbonylContact C-O 2.86Å; L92-L116 VanDerWaalsContact CA-O 3.3Å; L92-L116 WeakPolarHBondContact CA-O 3.49Å; L92-L116 HydrophobicContact CD1-CB 4.14Å; L92-L116 HydrophobicContact CD1-CD1 3.95Å; L92-L116 HydrophobicContact CG-CB 4.09Å; V93-L116 PolarHBondContact N-O 2.94Å; L116-V135 HydrophobicContact CB-CG1 3.45Å; L116-V135 VanDerWaalsContact CB-CG1 3.45Å; L116-V135 HydrophobicContact CD1-CG1 4.22Å; L116-V135 HydrophobicContact CD2-CG1 3.39Å; L116-V135 HydrophobicContact CG-CG1 3.8Å; L116-S136 WeakPolarHBondContact CA-O 3.4Å; L116-A137 HydrophobicContact CD2-CB 4.04Å
117I88.4Confident75.2Confident3 Ų373.9 Ų73.92%0.01536%0.36CS..EExtended strand (participates in β ladder)trans-98.9111-178.7-53.7176.4000109.3V93 R95 F100 K103 L115 V135 S136V93-I117 HydrophobicContact CG2-CB 4.39Å; V93-I117 HydrophobicContact CG2-CG1 3.91Å; V93-I117 HydrophobicContact CG2-CG2 4.47Å; V93-I117 CarbonylContact O-C 3.58Å; V93-I117 WeakPolarHBondContact O-CA 3.32Å; R95-I117 HydrophobicContact CB-CG2 4.31Å; F100-I117 HydrophobicContact CB-CD1 4.07Å; F100-I117 HydrophobicContact CD1-CD1 3.42Å; F100-I117 VanDerWaalsContact CD1-CD1 3.42Å; F100-I117 HydrophobicContact CD1-CG2 4.41Å; F100-I117 HydrophobicContact CE1-CD1 4.1Å; F100-I117 HydrophobicContact CE1-CG2 4.11Å; F100-I117 HydrophobicContact CG-CD1 3.96Å; K103-I117 HydrophobicContact CD-CD1 3.87Å; K103-I117 HydrophobicContact CD-CG1 4.45Å; L115-I117 HydrophobicContact CD2-CD1 4.12Å; L115-I117 HydrophobicContact CD2-CG1 3.98Å; L115-I117 HydrophobicContact CG-CG1 4.08Å; I117-V135 WeakPolarHBondContact O-CA 3.47Å; I117-S136 PolarHBondContact N-O 3.4Å
118V84.9Confident72.5Confident52 Ų5275.5 Ų75.532%0.31537%0.374SS..EExtended strand (participates in β ladder)trans-89.8126.4179.1-172.60000109.7T71 L92 V93 R95T71-V118 HydrophobicContact CG2-CG2 4.33Å; L92-V118 HydrophobicContact CB-CG2 4.24Å; L92-V118 HydrophobicContact CD2-CG2 3.97Å; L92-V118 HydrophobicContact CG-CG2 4.07Å; V93-V118 PolarHBondContact O-N 2.98Å; R95-V118 PolarHBondContact N-O 3.32Å
119S80.3Confident69.8Low6 Ų674.2 Ų74.24%0.04239%0.385CS..  trans-122.4134.4176.8-175.90000110.7R95 E121R95-S119 WeakPolarHBondContact CD-OG 3.47Å; S119-E121 VanDerWaalsContact CB-O 3.28Å; S119-E121 WeakPolarHBondContact CB-O 3.31Å; S119-E121 PolarHBondContact OG-N 3.46Å; S119-E121 PolarHBondContact OG-O 2.91Å
120R71.9Confident67Low253 Ų25377.2 Ų77.296%0.95538%0.378SS*.SBendtrans-76.5-31170.5-63.6-173.2-174.9-158.91.8111.7
121E66.3Low64.1Low140 Ų14078.9 Ų78.965%0.65439%0.385SS*.SBendtrans-86.7153.7172.7-64.4172.6-170.300109.9S119 L123S119-E121 VanDerWaalsContact CB-O 3.28Å; S119-E121 WeakPolarHBondContact CB-O 3.31Å; S119-E121 PolarHBondContact OG-N 3.46Å; S119-E121 PolarHBondContact OG-O 2.91Å; E121-L123 PolarHBondContact O-N 3.45Å
122R56.6Low61.2Low86 Ų8684.8 Ų84.833%0.32540%0.403SS..  trans-60.1133.6174-60.3-167.9-168.7-176.2-4.8109.7R95 L124 H130 L131R95-R122 PolarHBondContact NH1-O 2.89Å; R122-L124 HydrophobicContact CB-CD2 4.34Å; R122-L124 HydrophobicContact CB-CG 4.47Å; R122-L124 PolarHBondContact O-N 3.09Å; R122-H130 VanDerWaalsContact CZ-CG 3.46Å; R122-H130 VanDerWaalsContact NH1-CA 3.25Å; R122-H130 PolarHBondContact NH1-ND1 3.29Å; R122-H130 PolarHBondContact NH2-CD2 3.44Å; R122-H130 PolarHBondContact NH2-CE1 3.27Å; R122-H130 PolarHBondContact NH2-ND1 2.97Å; R122-H130 PolarHBondContact NH2-NE2 3.48Å; R122-L131 WeakPolarHBondContact CG-O 3.5Å
123L54.8Low58.6Low13 Ų1386.4 Ų86.47%0.06842%0.42CS..  trans-7292.9162.5-61.5-173.4000106.1L47 F100 E121 Q125 S134L47-L123 HydrophobicContact CD1-CB 4.32Å; F100-L123 HydrophobicContact CE1-CD2 4.5Å; F100-L123 HydrophobicContact CZ-CD1 4.17Å; F100-L123 HydrophobicContact CZ-CD2 3.77Å; E121-L123 PolarHBondContact O-N 3.45Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 3.05Å; L123-S134 WeakPolarHBondContact CD1-O 3.47Å; L123-S134 PolarHBondContact N-OG 3.12Å
124L47.6Very low56.2Low151 Ų15182.1 Ų82.179%0.79141%0.405SS*.  trans-69.690.3172.7-67.7173.2000107.9R122R122-L124 HydrophobicContact CB-CD2 4.34Å; R122-L124 HydrophobicContact CB-CG 4.47Å; R122-L124 PolarHBondContact O-N 3.09Å
125Q46.4Very low54.4Low70 Ų7082.5 Ų82.533%0.32741%0.405SS..  trans-78.7128147.3-88.9162.5-46.900107C25 L123 H127 A128C25-Q125 VanDerWaalsContact SG-CD 3.55Å; C25-Q125 PolarHBondContact SG-NE2 2.97Å; C25-Q125 PolarHBondContact SG-OE1 2.99Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 3.05Å; Q125-H127 CarbonylContact O-C 3.58Å; Q125-H127 PolarHBondContact O-N 3.33Å; Q125-A128 PolarHBondContact O-N 3.03Å
126R38.6Very low52.7Low242 Ų24283.3 Ų83.391%0.91341%0.411SS*.SBendtrans-54.2114.1168.5-80.1-176.5168.4168.3-2.9106
127H40.6Very low51Low189 Ų18983.7 Ų83.788%0.87542%0.416SS*.SBendtrans82.966-170.3-46.1-63.8000116.2Q125Q125-H127 CarbonylContact O-C 3.58Å; Q125-H127 PolarHBondContact O-N 3.33Å
128A36.4Very low49.1Very low35 Ų3584 Ų8429%0.28942%0.419SS..  trans-158.3122.7153.500000110.4Y27 Q125Y27-A128 WeakPolarHBondContact OH-CB 3.33Å; Q125-A128 PolarHBondContact O-N 3.03Å
129G33.4Very low47.1Very low63 Ų6388.3 Ų88.365%0.64943%0.429SS*.  trans-59.1151.517700000113L131G129-L131 PolarHBondContact O-N 3.49Å
130H31.1Very low45.4Very low138 Ų13892.4 Ų92.464%0.63945%0.449SS*.  trans7.479.5155.6-141.7115.2000118.1R122R122-H130 VanDerWaalsContact CZ-CG 3.46Å; R122-H130 VanDerWaalsContact NH1-CA 3.25Å; R122-H130 PolarHBondContact NH1-ND1 3.29Å; R122-H130 PolarHBondContact NH2-CD2 3.44Å; R122-H130 PolarHBondContact NH2-CE1 3.27Å; R122-H130 PolarHBondContact NH2-ND1 2.97Å; R122-H130 PolarHBondContact NH2-NE2 3.48Å
131L31.8Very low44Very low57 Ų5783.9 Ų83.930%0.29842%0.422SS..  trans-117.3111.9165-73.6163.1000109.5Y27 R122 G129Y27-L131 HydrophobicContact CE1-CD1 3.81Å; R122-L131 WeakPolarHBondContact CG-O 3.5Å; G129-L131 PolarHBondContact O-N 3.49Å
132H28.9Very low42.8Very low158 Ų15880.8 Ų80.873%0.73141%0.409SS*.SBendtrans-73.1118.5164.3-100.5-109000107.9
133G36.9Very low41.9Very low39 Ų3980.5 Ų80.540%0.40241%0.414SS..SBendtrans77.672177.700000113.5
134S37.5Very low41.1Very low5 Ų584.8 Ų84.84%0.03544%0.436CS..  trans-83125.9174-31.90000109.4L123L123-S134 WeakPolarHBondContact CD1-O 3.47Å; L123-S134 PolarHBondContact N-OG 3.12Å
135V50.1Low40.7Very low19 Ų1980.3 Ų80.312%0.11541%0.412CS..EExtended strand (participates in β ladder)trans-105.4124.4174.6178.70000108.2I46 L47 L116 I117I46-V135 CarbonylContact C-O 3.55Å; I46-V135 WeakPolarHBondContact CA-O 3.43Å; I46-V135 VanDerWaalsContact CB-O 3.23Å; I46-V135 WeakPolarHBondContact CB-O 3.23Å; I46-V135 HydrophobicContact CG2-CB 3.93Å; I46-V135 HydrophobicContact CG2-CG1 4.11Å; L47-V135 PolarHBondContact N-O 2.97Å; L116-V135 HydrophobicContact CB-CG1 3.45Å; L116-V135 VanDerWaalsContact CB-CG1 3.45Å; L116-V135 HydrophobicContact CD1-CG1 4.22Å; L116-V135 HydrophobicContact CD2-CG1 3.39Å; L116-V135 HydrophobicContact CG-CG1 3.8Å; I117-V135 WeakPolarHBondContact O-CA 3.47Å
136S54Low40.3Very low19 Ų1981.1 Ų81.113%0.13342%0.418CS..EExtended strand (participates in β ladder)trans-99.3133.4173.8-94.60000111.6L47 L116 I117L47-S136 WeakPolarHBondContact O-CA 3.3Å; L47-S136 WeakPolarHBondContact O-CB 3.3Å; L47-S136 PolarHBondContact O-OG 3.26Å; L116-S136 WeakPolarHBondContact CA-O 3.4Å; I117-S136 PolarHBondContact N-O 3.4Å
137A54.4Low40.4Very low19 Ų1968.7 Ų68.716%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-108.513217600000111.4I46 L47 L115 L116I46-A137 HydrophobicContact CD1-CB 3.58Å; L47-A137 PolarHBondContact O-N 3.3Å; L115-A137 VanDerWaalsContact O-CA 3.29Å; L115-A137 WeakPolarHBondContact O-CA 3.5Å; L116-A137 HydrophobicContact CD2-CB 4.04Å
138A48.3Very low40.4Very low9 Ų958.7 Ų58.77%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-133.8142.8162.800000108.7V104 G114 L115V104-A138 HydrophobicContact CB-CB 4.13Å; V104-A138 HydrophobicContact CG1-CB 3.57Å; V104-A138 HydrophobicContact CG2-CB 3.38Å; G114-A138 CarbonylContact C-O 3.59Å; G114-A138 VanDerWaalsContact CA-O 3.25Å; G114-A138 WeakPolarHBondContact CA-O 3.42Å; L115-A138 PolarHBondContact N-O 3.19Å; L115-A138 VanDerWaalsContact N-O 3.12Å
139R42.3Very low40.8Very low143 Ų14360.8 Ų60.854%0.5434%0.343SS..  trans-84.40-175175173.9-154.7-162.58.8111.2A53 Q108 R113A53-R139 HydrophobicContact CB-CB 3.56Å; Q108-R139 PolarHBondContact NE2-O 3.29Å; R113-R139 PolarHBondContact NH2-OXT 2.98Å

Retrieved 139 of 139 residues in 37.4 ms (Link to these results)