A0A077Z8P4_TRITR Loading...

DNA replication complex GINS protein PSF1

Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex seems to bind preferentially to single-stranded DNA.

AlphaFold DB , UniProt , Accession A0A077Z8P4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 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
1M53.7Low60.1Low193 Ų193117.4 Ų117.495%0.95156%0.561SS**  0-48.90-138.9179.6-74.400112.5N3 F4 L5M1-N3 PolarHBondContact O-N 3.29Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 3.48Å; M1-L5 PolarHBondContact O-N 3.48Å
2L52Low60.7Low145 Ų145112.5 Ų112.576%0.75954%0.54SS*.Hα-helixtrans-55.8-43178.7-76.1157.6000114.8F4 L5 R6L2-F4 VanDerWaalsContact C-N 3.25Å; L2-F4 PolarHBondContact O-N 3.36Å; L2-L5 PolarHBondContact O-N 3.32Å; L2-R6 PolarHBondContact O-N 3.06Å; L2-R6 VanDerWaalsContact O-N 3.17Å
3N57.7Low61.1Low140 Ų140118.2 Ų118.275%0.74955%0.553SS**Hα-helixtrans-65.4-29.3177.2-68.8-8.2000112.9M1 F7M1-N3 PolarHBondContact O-N 3.29Å; N3-F7 WeakPolarHBondContact O-CB 3.45Å; N3-F7 PolarHBondContact O-N 3.27Å; N3-F7 VanDerWaalsContact O-N 3.12Å
4F53.9Low61.2Low100 Ų100115.9 Ų115.944%0.43955%0.551SS.*Hα-helixtrans-72.6-39.6178-171.6-95.5000111.4M1 L2 F7 T8 I48M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 3.48Å; L2-F4 VanDerWaalsContact C-N 3.25Å; L2-F4 PolarHBondContact O-N 3.36Å; F4-F7 PolarHBondContact O-N 3.45Å; F4-T8 HydrophobicContact CD1-CG2 4.07Å; F4-T8 HydrophobicContact CE1-CG2 3.86Å; F4-T8 HydrophobicContact CZ-CG2 4.4Å; F4-T8 WeakPolarHBondContact O-CG2 3.49Å; F4-T8 PolarHBondContact O-N 3.3Å; F4-I48 HydrophobicContact CE1-CD1 3.7Å; F4-I48 HydrophobicContact CZ-CD1 3.6Å; F4-I48 HydrophobicContact CZ-CG1 4.49Å
5L56.5Low61.4Low95 Ų95109.9 Ų109.950%0.49753%0.526SS..Hα-helixtrans-63.9-44.8175.8-67.8172.9000111.5M1 L2 F7 T8 E9M1-L5 PolarHBondContact O-N 3.48Å; L2-L5 PolarHBondContact O-N 3.32Å; L5-F7 VanDerWaalsContact C-N 3.35Å; L5-F7 PolarHBondContact O-N 3.24Å; L5-T8 WeakPolarHBondContact CA-OG1 3.49Å; L5-T8 PolarHBondContact O-N 3.02Å; L5-T8 VanDerWaalsContact O-N 3.15Å; L5-T8 PolarHBondContact O-OG1 3.45Å; L5-E9 PolarHBondContact O-N 3.47Å
6R65.4Low61.7Low176 Ų176112.8 Ų112.866%0.66453%0.531SS*.Hα-helixtrans-59.4-44.3174.1-81.1-170.6178.6-148.41.2112.6L2 T8 E9 E10L2-R6 PolarHBondContact O-N 3.06Å; L2-R6 VanDerWaalsContact O-N 3.17Å; R6-T8 VanDerWaalsContact C-N 3.27Å; R6-T8 PolarHBondContact O-N 3.21Å; R6-E9 PolarHBondContact O-N 3.16Å; R6-E10 WeakPolarHBondContact O-CG 3.27Å; R6-E10 PolarHBondContact O-N 2.92Å
7F64.1Low61.7Low113 Ų113110.9 Ų110.950%0.49653%0.532SS..Hα-helixtrans-62.8-35.3177.2-173.9-108.5000112.2N3 F4 L5 L11N3-F7 WeakPolarHBondContact O-CB 3.45Å; N3-F7 PolarHBondContact O-N 3.27Å; N3-F7 VanDerWaalsContact O-N 3.12Å; F4-F7 PolarHBondContact O-N 3.45Å; L5-F7 VanDerWaalsContact C-N 3.35Å; L5-F7 PolarHBondContact O-N 3.24Å; F7-L11 HydrophobicContact CD1-CD1 3.75Å; F7-L11 HydrophobicContact CD1-CG 4.49Å; F7-L11 HydrophobicContact CE1-CD1 3.38Å; F7-L11 HydrophobicContact CE1-CG 4.21Å; F7-L11 HydrophobicContact CZ-CD1 3.85Å; F7-L11 HydrophobicContact CZ-CD2 4.47Å; F7-L11 HydrophobicContact CZ-CG 4.27Å; F7-L11 WeakPolarHBondContact O-CB 3.46Å; F7-L11 VanDerWaalsContact O-CG 3.31Å; F7-L11 WeakPolarHBondContact O-CG 3.33Å; F7-L11 PolarHBondContact O-N 3.21Å; F7-L11 VanDerWaalsContact O-N 3.12Å
8T62.8Low61.7Low24 Ų24112.2 Ų112.215%0.14754%0.535CS..Hα-helixtrans-68.2-40.3174.461.10000112.7F4 L5 R6 L11 D12F4-T8 HydrophobicContact CD1-CG2 4.07Å; F4-T8 HydrophobicContact CE1-CG2 3.86Å; F4-T8 HydrophobicContact CZ-CG2 4.4Å; F4-T8 WeakPolarHBondContact O-CG2 3.49Å; F4-T8 PolarHBondContact O-N 3.3Å; L5-T8 WeakPolarHBondContact CA-OG1 3.49Å; L5-T8 PolarHBondContact O-N 3.02Å; L5-T8 VanDerWaalsContact O-N 3.15Å; L5-T8 PolarHBondContact O-OG1 3.45Å; R6-T8 VanDerWaalsContact C-N 3.27Å; R6-T8 PolarHBondContact O-N 3.21Å; T8-L11 PolarHBondContact O-N 3.2Å; T8-D12 VanDerWaalsContact O-CG 3.31Å; T8-D12 PolarHBondContact O-N 3.1Å
9E65.8Low61.8Low116 Ų116106.9 Ų106.954%0.54251%0.512SS..Hα-helixtrans-66.1-38.5177.3-72.4178.8172.400112.3L5 R6 D12 R13L5-E9 PolarHBondContact O-N 3.47Å; R6-E9 PolarHBondContact O-N 3.16Å; E9-D12 PolarHBondContact O-N 3.36Å; E9-R13 WeakPolarHBondContact O-CG 3.39Å; E9-R13 PolarHBondContact O-N 3.07Å
10E66.9Low61.8Low118 Ų118110.1 Ų110.155%0.55152%0.518SS*.Hα-helixtrans-66.7-40.1176.1-75175.6178.400112.2R6 D12 R13 T14R6-E10 WeakPolarHBondContact O-CG 3.27Å; R6-E10 PolarHBondContact O-N 2.92Å; E10-D12 VanDerWaalsContact C-N 3.34Å; E10-R13 PolarHBondContact O-N 3.5Å; E10-T14 WeakPolarHBondContact O-CG2 3.44Å; E10-T14 PolarHBondContact O-N 3.37Å; E10-T14 PolarHBondContact O-OG1 3.04Å
11L62.5Low61.8Low71 Ų71108.7 Ų108.737%0.37252%0.521SS..Hα-helixtrans-64.5-38.2173.6-75173.1000112.2F7 T8 T14 S15F7-L11 HydrophobicContact CD1-CD1 3.75Å; F7-L11 HydrophobicContact CD1-CG 4.49Å; F7-L11 HydrophobicContact CE1-CD1 3.38Å; F7-L11 HydrophobicContact CE1-CG 4.21Å; F7-L11 HydrophobicContact CZ-CD1 3.85Å; F7-L11 HydrophobicContact CZ-CD2 4.47Å; F7-L11 HydrophobicContact CZ-CG 4.27Å; F7-L11 WeakPolarHBondContact O-CB 3.46Å; F7-L11 VanDerWaalsContact O-CG 3.31Å; F7-L11 WeakPolarHBondContact O-CG 3.33Å; F7-L11 PolarHBondContact O-N 3.21Å; F7-L11 VanDerWaalsContact O-N 3.12Å; T8-L11 PolarHBondContact O-N 3.2Å; L11-T14 WeakPolarHBondContact CA-OG1 3.08Å; L11-T14 PolarHBondContact O-OG1 3.39Å; L11-S15 VanDerWaalsContact O-CB 3.31Å; L11-S15 WeakPolarHBondContact O-CB 3.39Å; L11-S15 PolarHBondContact O-N 2.71Å
12D66.8Low62.1Low59 Ų59100 Ų10032%0.31648%0.479SS..Hα-helixtrans-68.5-39.9177.1-73-11.7000111.5T8 E9 E10 Y16 H37 M41T8-D12 VanDerWaalsContact O-CG 3.31Å; T8-D12 PolarHBondContact O-N 3.1Å; E9-D12 PolarHBondContact O-N 3.36Å; E10-D12 VanDerWaalsContact C-N 3.34Å; D12-Y16 WeakPolarHBondContact O-CB 3.5Å; D12-Y16 PolarHBondContact O-N 3.4Å; D12-H37 IonicContact OD1-CE1 3.66Å; D12-H37 IonicContact OD1-NE2 3.95Å; D12-M41 WeakPolarHBondContact OD1-CE 3.32Å
13R65.8Low62.6Low187 Ų18795.7 Ų95.771%0.70647%0.465SS*.Hα-helixtrans-64.9-43.6175-75.9-177.9-175-154.12.7112.9E9 E10 Y16 C17E9-R13 WeakPolarHBondContact O-CG 3.39Å; E9-R13 PolarHBondContact O-N 3.07Å; E10-R13 PolarHBondContact O-N 3.5Å; R13-Y16 WeakPolarHBondContact O-CB 3.31Å; R13-Y16 PolarHBondContact O-N 3.47Å; R13-C17 PolarHBondContact O-N 3.17Å; R13-C17 VanDerWaalsContact O-N 3.07Å
14T63.1Low63Low86 Ų8696.9 Ų96.953%0.52847%0.466SS..Hα-helixtrans-67.5-39.1179.246.90000111.7E10 L11 Y16 C17 F18E10-T14 WeakPolarHBondContact O-CG2 3.44Å; E10-T14 PolarHBondContact O-N 3.37Å; E10-T14 PolarHBondContact O-OG1 3.04Å; L11-T14 WeakPolarHBondContact CA-OG1 3.08Å; L11-T14 PolarHBondContact O-OG1 3.39Å; T14-Y16 VanDerWaalsContact C-N 3.34Å; T14-Y16 PolarHBondContact O-N 3.41Å; T14-C17 PolarHBondContact O-N 3.42Å; T14-F18 PolarHBondContact O-N 2.95Å
15S63.6Low63.8Low25 Ų2594.9 Ų94.918%0.17547%0.473CS..Hα-helixtrans-59.7-43.7171.8-1720000111.8L11 F18 S19 H37L11-S15 VanDerWaalsContact O-CB 3.31Å; L11-S15 WeakPolarHBondContact O-CB 3.39Å; L11-S15 PolarHBondContact O-N 2.71Å; S15-F18 PolarHBondContact O-N 2.99Å; S15-S19 WeakPolarHBondContact O-CB 3.31Å; S15-S19 PolarHBondContact O-N 2.99Å; S15-H37 PolarHBondContact OG-CD2 3.2Å; S15-H37 PolarHBondContact OG-CE1 3.21Å; S15-H37 VanDerWaalsContact OG-CE1 3.31Å; S15-H37 PolarHBondContact OG-ND1 3.07Å
16Y66Low64.7Low156 Ų15693.3 Ų93.361%0.61247%0.47SS*.Hα-helixtrans-60.7-47.1177.4-173.5-98.5000112.2D12 R13 T14 F18 S19 R20D12-Y16 WeakPolarHBondContact O-CB 3.5Å; D12-Y16 PolarHBondContact O-N 3.4Å; R13-Y16 WeakPolarHBondContact O-CB 3.31Å; R13-Y16 PolarHBondContact O-N 3.47Å; T14-Y16 VanDerWaalsContact C-N 3.34Å; T14-Y16 PolarHBondContact O-N 3.41Å; Y16-F18 PolarHBondContact O-N 3.31Å; Y16-S19 PolarHBondContact O-N 3.49Å; Y16-S19 PolarHBondContact O-OG 3.32Å; Y16-R20 PolarHBondContact O-N 3Å; Y16-R20 VanDerWaalsContact O-N 3.1Å
17C62Low65.4Low81 Ų8189.9 Ų89.955%0.54747%0.471SS..Hα-helixtrans-62.8-43.3177.2-69.10000112.7R13 T14 S19 R20 S21R13-C17 PolarHBondContact O-N 3.17Å; R13-C17 VanDerWaalsContact O-N 3.07Å; T14-C17 PolarHBondContact O-N 3.42Å; C17-S19 VanDerWaalsContact C-N 3.33Å; C17-S19 PolarHBondContact O-N 2.97Å; C17-R20 WeakPolarHBondContact O-CB 3.36Å; C17-R20 PolarHBondContact O-N 3.48Å; C17-S21 PolarHBondContact O-N 3.24Å
18F61.4Low66.1Low134 Ų13492 Ų9259%0.58848%0.483SS*.Hα-helixtrans-66-37.5179-168.9-101.5000112T14 S15 Y16 R20 S21 A22 I33T14-F18 PolarHBondContact O-N 2.95Å; S15-F18 PolarHBondContact O-N 2.99Å; Y16-F18 PolarHBondContact O-N 3.31Å; F18-R20 VanDerWaalsContact C-N 3.31Å; F18-R20 PolarHBondContact O-N 3.06Å; F18-S21 PolarHBondContact O-N 2.89Å; F18-A22 PolarHBondContact O-N 3.49Å; F18-A22 VanDerWaalsContact O-N 3.07Å; F18-I33 HydrophobicContact CD1-CD1 4.03Å; F18-I33 HydrophobicContact CD1-CG2 4.17Å; F18-I33 HydrophobicContact CE1-CD1 3.63Å; F18-I33 HydrophobicContact CE1-CG1 4.29Å
19S63.4Low67Low12 Ų1295 Ų958%0.08450%0.497CS..Hα-helixtrans-62.2-39.5174.178.70000111.4S15 Y16 C17 S21 A22 A23 F30S15-S19 WeakPolarHBondContact O-CB 3.31Å; S15-S19 PolarHBondContact O-N 2.99Å; Y16-S19 PolarHBondContact O-N 3.49Å; Y16-S19 PolarHBondContact O-OG 3.32Å; C17-S19 VanDerWaalsContact C-N 3.33Å; C17-S19 PolarHBondContact O-N 2.97Å; S19-S21 PolarHBondContact O-N 2.85Å; S19-A22 PolarHBondContact O-N 3.38Å; S19-A23 PolarHBondContact O-N 3.49Å; S19-F30 WeakPolarHBondContact O-CD2 3.42Å; S19-F30 VanDerWaalsContact O-CE2 3.27Å; S19-F30 WeakPolarHBondContact O-CE2 3.5Å
20R62.7Low67.6Low170 Ų17091.9 Ų91.964%0.64248%0.482SS*.Hα-helixtrans-63.9-42.5178.4-168.7175.7-179.9166.60.8112.4Y16 C17 F18 A22 A23Y16-R20 PolarHBondContact O-N 3Å; Y16-R20 VanDerWaalsContact O-N 3.1Å; C17-R20 WeakPolarHBondContact O-CB 3.36Å; C17-R20 PolarHBondContact O-N 3.48Å; F18-R20 VanDerWaalsContact C-N 3.31Å; F18-R20 PolarHBondContact O-N 3.06Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.31Å; R20-A23 WeakPolarHBondContact O-CB 3.36Å; R20-A23 PolarHBondContact O-N 3.32Å
21S61.7Low68.4Low82 Ų8290.5 Ų90.557%0.57348%0.482SS*.Hα-helixtrans-67.6-31.5175.4-58.50000112.9C17 F18 S19 E24C17-S21 PolarHBondContact O-N 3.24Å; F18-S21 PolarHBondContact O-N 2.89Å; S19-S21 PolarHBondContact O-N 2.85Å; S21-E24 PolarHBondContact O-N 3.24Å
22A60.8Low69.5Low10 Ų1092.4 Ų92.48%0.08349%0.491CS..Hα-helixtrans-72.7-28.8176.300000113.4F18 S19 R20 E24 G25 S26 I33F18-A22 PolarHBondContact O-N 3.49Å; F18-A22 VanDerWaalsContact O-N 3.07Å; S19-A22 PolarHBondContact O-N 3.38Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.31Å; A22-E24 PolarHBondContact O-N 2.97Å; A22-G25 PolarHBondContact O-N 2.89Å; A22-S26 PolarHBondContact O-N 3.49Å; A22-I33 HydrophobicContact CB-CD1 3.44Å; A22-I33 VanDerWaalsContact CB-CD1 3.44Å
23A61Low70.4Confident54 Ų5490.9 Ų90.945%0.44648%0.483SS..Hα-helixtrans-63.1-26.8175.600000112.8S19 R20 F30S19-A23 PolarHBondContact O-N 3.49Å; R20-A23 WeakPolarHBondContact O-CB 3.36Å; R20-A23 PolarHBondContact O-N 3.32Å; A23-F30 HydrophobicContact CB-CD2 3.92Å; A23-F30 HydrophobicContact CB-CE2 4.24Å; A23-F30 HydrophobicContact CB-CG 4.37Å
24E67.4Low71.2Confident165 Ų16586.1 Ų86.177%0.77147%0.468SS*.Hα-helixtrans-78.8-23.8177.7-66174.7-177.900112.8S21 A22S21-E24 PolarHBondContact O-N 3.24Å; A22-E24 PolarHBondContact O-N 2.97Å
25G69.7Low72.2Confident58 Ų5887.1 Ų87.160%0.59847%0.47SS*.Hα-helixtrans-96.9-37.7-17300000115.4A22A22-G25 PolarHBondContact O-N 2.89Å
26S75.7Confident73.4Confident62 Ų6294 Ų9443%0.43449%0.492SS..  trans-171.8122.5177.6-79.40000111A22 Q28 L29 F30A22-S26 PolarHBondContact O-N 3.49Å; S26-Q28 PolarHBondContact O-N 2.99Å; S26-Q28 VanDerWaalsContact O-N 3.16Å; S26-L29 WeakPolarHBondContact O-CB 3.31Å; S26-L29 PolarHBondContact O-N 2.97Å; S26-F30 PolarHBondContact O-N 2.98Å
27P79.5Confident74.4Confident105 Ų10589.1 Ų89.168%0.68248%0.475SS*.Hα-helixtrans-61.3-29.2-178.124.3-34.2000113.2F30 T31P27-F30 PolarHBondContact O-N 3.41Å; P27-T31 PolarHBondContact O-N 2.89Å; P27-T31 PolarHBondContact O-OG1 3.38Å
28Q80.6Confident75.7Confident158 Ų15889 Ų8974%0.73848%0.475SS*.Hα-helixtrans-64.7-40.2175.4-63.4178.8900112S26 T31 I32S26-Q28 PolarHBondContact O-N 2.99Å; S26-Q28 VanDerWaalsContact O-N 3.16Å; Q28-T31 PolarHBondContact O-N 3.12Å; Q28-I32 WeakPolarHBondContact O-CG1 3.49Å; Q28-I32 PolarHBondContact O-N 3.4Å
29L80.8Confident77.1Confident86 Ų8685.7 Ų85.745%0.4547%0.468SS..Hα-helixtrans-67.3-39179.4-175.864.5000111.2S26 I32 I33S26-L29 WeakPolarHBondContact O-CB 3.31Å; S26-L29 PolarHBondContact O-N 2.97Å; L29-I32 PolarHBondContact O-N 2.91Å; L29-I33 HydrophobicContact CD1-CD1 4.33Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 WeakPolarHBondContact O-CD1 3.33Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 2.99Å
30F79.2Confident78.6Confident51 Ų5188.9 Ų88.922%0.22448%0.483CS..Hα-helixtrans-57.1-49.7174.6180-103.2000112S19 A23 S26 P27 I32 I33 Q34S19-F30 WeakPolarHBondContact O-CD2 3.42Å; S19-F30 VanDerWaalsContact O-CE2 3.27Å; S19-F30 WeakPolarHBondContact O-CE2 3.5Å; A23-F30 HydrophobicContact CB-CD2 3.92Å; A23-F30 HydrophobicContact CB-CE2 4.24Å; A23-F30 HydrophobicContact CB-CG 4.37Å; S26-F30 PolarHBondContact O-N 2.98Å; P27-F30 PolarHBondContact O-N 3.41Å; F30-I32 VanDerWaalsContact C-N 3.34Å; F30-I32 PolarHBondContact O-N 3.24Å; F30-I33 PolarHBondContact O-N 3.39Å; F30-Q34 HydrophobicContact CD1-CG 4.36Å; F30-Q34 HydrophobicContact CE1-CG 4.05Å; F30-Q34 VanDerWaalsContact CE1-NE2 3.32Å; F30-Q34 HydrophobicContact CE2-CG 4.3Å; F30-Q34 HydrophobicContact CZ-CG 4.04Å; F30-Q34 WeakPolarHBondContact O-CG 3.48Å; F30-Q34 PolarHBondContact O-N 3Å
31T82.4Confident79.9Confident89 Ų8982.3 Ų82.355%0.54646%0.46SS..Hα-helixtrans-59.7-42.8178.1-54.50000111.9P27 Q28 I33 Q34 D35P27-T31 PolarHBondContact O-N 2.89Å; P27-T31 PolarHBondContact O-OG1 3.38Å; Q28-T31 PolarHBondContact O-N 3.12Å; T31-I33 PolarHBondContact O-N 2.89Å; T31-Q34 PolarHBondContact O-N 3.46Å; T31-D35 WeakPolarHBondContact O-CB 3.35Å; T31-D35 PolarHBondContact O-N 3.34Å
32I86Confident81.3Confident110 Ų11087.4 Ų87.456%0.56447%0.467SS*.Hα-helixtrans-63.4-42.3178.2-66.1165.7000111.3Q28 L29 F30 R36Q28-I32 WeakPolarHBondContact O-CG1 3.49Å; Q28-I32 PolarHBondContact O-N 3.4Å; L29-I32 PolarHBondContact O-N 2.91Å; F30-I32 VanDerWaalsContact C-N 3.34Å; F30-I32 PolarHBondContact O-N 3.24Å; I32-R36 VanDerWaalsContact O-CB 3.31Å; I32-R36 WeakPolarHBondContact O-CB 2.93Å; I32-R36 PolarHBondContact O-N 3.38Å
33I85.4Confident83Confident28 Ų2893 Ų9314%0.14449%0.493CS..Hα-helixtrans-65.1-44.8178-69.8162.7000110.7F18 A22 L29 F30 T31 R36 H37F18-I33 HydrophobicContact CD1-CD1 4.03Å; F18-I33 HydrophobicContact CD1-CG2 4.17Å; F18-I33 HydrophobicContact CE1-CD1 3.63Å; F18-I33 HydrophobicContact CE1-CG1 4.29Å; A22-I33 HydrophobicContact CB-CD1 3.44Å; A22-I33 VanDerWaalsContact CB-CD1 3.44Å; L29-I33 HydrophobicContact CD1-CD1 4.33Å; L29-I33 HydrophobicContact CG-CD1 3.88Å; L29-I33 WeakPolarHBondContact O-CD1 3.33Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 2.99Å; F30-I33 PolarHBondContact O-N 3.39Å; T31-I33 PolarHBondContact O-N 2.89Å; I33-R36 PolarHBondContact O-N 3.39Å; I33-H37 WeakPolarHBondContact O-CB 3.25Å; I33-H37 PolarHBondContact O-N 2.88Å
34Q82.2Confident84.6Confident87 Ų8793 Ų9341%0.40748%0.483SS..Hα-helixtrans-63.2-46.3177.7-74-164.7-36.800111.8F30 T31 R36 H37 C38F30-Q34 HydrophobicContact CD1-CG 4.36Å; F30-Q34 HydrophobicContact CE1-CG 4.05Å; F30-Q34 VanDerWaalsContact CE1-NE2 3.32Å; F30-Q34 HydrophobicContact CE2-CG 4.3Å; F30-Q34 HydrophobicContact CZ-CG 4.04Å; F30-Q34 WeakPolarHBondContact O-CG 3.48Å; F30-Q34 PolarHBondContact O-N 3Å; T31-Q34 PolarHBondContact O-N 3.46Å; Q34-R36 PolarHBondContact O-N 3.47Å; Q34-H37 PolarHBondContact O-N 2.97Å; Q34-C38 WeakPolarHBondContact O-CB 3.46Å; Q34-C38 PolarHBondContact O-N 2.89Å; Q34-C38 PolarHBondContact O-SG 3.46Å
35D84.9Confident85.9Confident107 Ų10793.3 Ų93.357%0.57248%0.477SS*.Hα-helixtrans-61.5-44.8178.2-176.863000111.6T31 H37 C38 S39T31-D35 WeakPolarHBondContact O-CB 3.35Å; T31-D35 PolarHBondContact O-N 3.34Å; D35-H37 PolarHBondContact O-N 3.12Å; D35-C38 PolarHBondContact O-N 2.68Å; D35-S39 VanDerWaalsContact O-CB 3.25Å; D35-S39 WeakPolarHBondContact O-CB 3.32Å; D35-S39 PolarHBondContact O-N 3.24Å; D35-S39 PolarHBondContact O-OG 3.31Å
36R89.2Confident87.2Confident169 Ų16994 Ų9464%0.63847%0.471SS*.Hα-helixtrans-58.8-47.6173.5178.5-178.1173.9-94.9-0.3111.6I32 I33 Q34 S39 I40I32-R36 VanDerWaalsContact O-CB 3.31Å; I32-R36 WeakPolarHBondContact O-CB 2.93Å; I32-R36 PolarHBondContact O-N 3.38Å; I33-R36 PolarHBondContact O-N 3.39Å; Q34-R36 PolarHBondContact O-N 3.47Å; R36-S39 PolarHBondContact O-N 2.98Å; R36-I40 HydrophobicContact CG-CD1 3.88Å; R36-I40 VanDerWaalsContact O-CG1 3.31Å; R36-I40 WeakPolarHBondContact O-CG1 3.31Å; R36-I40 PolarHBondContact O-N 3.17Å
37H87.6Confident88.2Confident53 Ų5394.5 Ų94.525%0.24547%0.472CS..Hα-helixtrans-62.9-49-179.5174.667.9000111.4D12 S15 I33 Q34 D35 S39 I40 M41D12-H37 IonicContact OD1-CE1 3.66Å; D12-H37 IonicContact OD1-NE2 3.95Å; S15-H37 PolarHBondContact OG-CD2 3.2Å; S15-H37 PolarHBondContact OG-CE1 3.21Å; S15-H37 VanDerWaalsContact OG-CE1 3.31Å; S15-H37 PolarHBondContact OG-ND1 3.07Å; I33-H37 WeakPolarHBondContact O-CB 3.25Å; I33-H37 PolarHBondContact O-N 2.88Å; Q34-H37 PolarHBondContact O-N 2.97Å; D35-H37 PolarHBondContact O-N 3.12Å; H37-S39 VanDerWaalsContact C-N 3.3Å; H37-S39 PolarHBondContact O-N 3.43Å; H37-I40 PolarHBondContact O-N 3.38Å; H37-M41 WeakPolarHBondContact O-CB 3.2Å; H37-M41 VanDerWaalsContact O-CG 3.28Å; H37-M41 WeakPolarHBondContact O-CG 3.31Å; H37-M41 PolarHBondContact O-N 3.36Å
38C88.6Confident88.9Confident80 Ų8092.8 Ų92.854%0.54146%0.456SS..Hα-helixtrans-57.9-42.7176-73.30000111.8Q34 D35 M41 R42Q34-C38 WeakPolarHBondContact O-CB 3.46Å; Q34-C38 PolarHBondContact O-N 2.89Å; Q34-C38 PolarHBondContact O-SG 3.46Å; D35-C38 PolarHBondContact O-N 2.68Å; C38-M41 PolarHBondContact O-N 3.15Å; C38-R42 WeakPolarHBondContact O-CB 3.47Å; C38-R42 PolarHBondContact O-N 2.99Å
39S90.9Very high89.7Confident63 Ų6389.6 Ų89.644%0.44145%0.447SS..Hα-helixtrans-62.3-45.4176.9-67.90000112.4D35 R36 H37 R42 M43D35-S39 VanDerWaalsContact O-CB 3.25Å; D35-S39 WeakPolarHBondContact O-CB 3.32Å; D35-S39 PolarHBondContact O-N 3.24Å; D35-S39 PolarHBondContact O-OG 3.31Å; R36-S39 PolarHBondContact O-N 2.98Å; H37-S39 VanDerWaalsContact C-N 3.3Å; H37-S39 PolarHBondContact O-N 3.43Å; S39-R42 PolarHBondContact O-N 3.42Å; S39-M43 WeakPolarHBondContact O-CB 3.31Å; S39-M43 PolarHBondContact O-N 2.96Å
40I93.4Very high90.4Very high80 Ų8092.4 Ų92.441%0.4145%0.453SS..Hα-helixtrans-63.8-45.3176.2-69.2167.8000110.9R36 H37 R42 M43 K44R36-I40 HydrophobicContact CG-CD1 3.88Å; R36-I40 VanDerWaalsContact O-CG1 3.31Å; R36-I40 WeakPolarHBondContact O-CG1 3.31Å; R36-I40 PolarHBondContact O-N 3.17Å; H37-I40 PolarHBondContact O-N 3.38Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 2.85Å; I40-M43 PolarHBondContact O-N 3.31Å; I40-K44 WeakPolarHBondContact O-CB 3.44Å; I40-K44 PolarHBondContact O-N 3.46Å
41M90.2Very high91.3Very high31 Ų3194 Ų9415%0.15346%0.464CS..Hα-helixtrans-65-38.5-179.6-69.1-62.6-82.600111.8D12 H37 C38 R45D12-M41 WeakPolarHBondContact OD1-CE 3.32Å; H37-M41 WeakPolarHBondContact O-CB 3.2Å; H37-M41 VanDerWaalsContact O-CG 3.28Å; H37-M41 WeakPolarHBondContact O-CG 3.31Å; H37-M41 PolarHBondContact O-N 3.36Å; C38-M41 PolarHBondContact O-N 3.15Å; M41-R45 VanDerWaalsContact O-CG 3.31Å; M41-R45 WeakPolarHBondContact O-CG 3.37Å; M41-R45 PolarHBondContact O-N 3.36Å
42R92.3Very high91.9Very high189 Ų18996 Ų9671%0.71346%0.462SS*.Hα-helixtrans-63.1-49.5172.9-175.9178.9178.4-167.2-0.3111.2C38 S39 I40 K44 R45 C46C38-R42 WeakPolarHBondContact O-CB 3.47Å; C38-R42 PolarHBondContact O-N 2.99Å; S39-R42 PolarHBondContact O-N 3.42Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 2.85Å; R42-K44 VanDerWaalsContact C-N 3.33Å; R42-K44 PolarHBondContact O-N 3.45Å; R42-R45 PolarHBondContact O-N 3.23Å; R42-C46 PolarHBondContact O-N 3.3Å; R42-C46 PolarHBondContact O-SG 2.95Å
43M96.3Very high92.5Very high128 Ų12896.5 Ų96.563%0.63146%0.462SS*.Hα-helixtrans-58.2-46.4178.2-170.365.676.400111.2S39 I40 R45 C46 V47S39-M43 WeakPolarHBondContact O-CB 3.31Å; S39-M43 PolarHBondContact O-N 2.96Å; I40-M43 PolarHBondContact O-N 3.31Å; M43-R45 PolarHBondContact O-N 3.07Å; M43-C46 PolarHBondContact O-N 3Å; M43-V47 WeakPolarHBondContact O-CG2 3.24Å; M43-V47 PolarHBondContact O-N 2.89Å
44K94.9Very high93Very high54 Ų5498.4 Ų98.424%0.23547%0.467CS..Hα-helixtrans-57.4-48.2176.1177.8177.6177.7177.50112I40 R42 V47 I48I40-K44 WeakPolarHBondContact O-CB 3.44Å; I40-K44 PolarHBondContact O-N 3.46Å; R42-K44 VanDerWaalsContact C-N 3.33Å; R42-K44 PolarHBondContact O-N 3.45Å; K44-V47 PolarHBondContact O-N 3.49Å; K44-I48 HydrophobicContact CD-CD1 4.45Å; K44-I48 HydrophobicContact CG-CD1 3.67Å; K44-I48 HydrophobicContact CG-CG1 4.47Å; K44-I48 WeakPolarHBondContact O-CB 3.5Å; K44-I48 WeakPolarHBondContact O-CD1 3.45Å; K44-I48 VanDerWaalsContact O-CG1 3.24Å; K44-I48 WeakPolarHBondContact O-CG1 3.43Å; K44-I48 PolarHBondContact O-N 2.96Å
45R94.5Very high93.6Very high172 Ų17296.6 Ų96.665%0.64946%0.46SS*.Hα-helixtrans-60.4-47.1177.6-74.8175.2-177.1-179.62.6111.3M41 R42 M43 V47 I48 T49M41-R45 VanDerWaalsContact O-CG 3.31Å; M41-R45 WeakPolarHBondContact O-CG 3.37Å; M41-R45 PolarHBondContact O-N 3.36Å; R42-R45 PolarHBondContact O-N 3.23Å; M43-R45 PolarHBondContact O-N 3.07Å; R45-V47 PolarHBondContact O-N 3.34Å; R45-I48 PolarHBondContact O-N 3.44Å; R45-T49 WeakPolarHBondContact O-CB 3.33Å; R45-T49 PolarHBondContact O-N 3.41Å; R45-T49 PolarHBondContact O-OG1 3.28Å
46C96Very high94.1Very high71 Ų7195.7 Ų95.748%0.4845%0.451SS..Hα-helixtrans-58.9-45.8178.6-68.60000112.1R42 M43 T49 Y50R42-C46 PolarHBondContact O-N 3.3Å; R42-C46 PolarHBondContact O-SG 2.95Å; M43-C46 PolarHBondContact O-N 3Å; C46-T49 PolarHBondContact O-N 2.96Å; C46-Y50 WeakPolarHBondContact O-CB 3.49Å; C46-Y50 PolarHBondContact O-N 3.44Å
47V96.4Very high94.4Very high73 Ų7391 Ų9144%0.44244%0.436SS..Hα-helixtrans-64.2-45.5178.3172.80000111.4M43 K44 R45 T49 Y50 L51M43-V47 WeakPolarHBondContact O-CG2 3.24Å; M43-V47 PolarHBondContact O-N 2.89Å; K44-V47 PolarHBondContact O-N 3.49Å; R45-V47 PolarHBondContact O-N 3.34Å; V47-T49 PolarHBondContact O-N 2.98Å; V47-Y50 PolarHBondContact O-N 2.7Å; V47-L51 HydrophobicContact CG1-CD1 3.91Å; V47-L51 HydrophobicContact CG1-CG 4.41Å; V47-L51 WeakPolarHBondContact O-CG 3.2Å; V47-L51 PolarHBondContact O-N 3.33Å
48I96.1Very high94.7Very high70 Ų7088.6 Ų88.636%0.35943%0.425SS..Hα-helixtrans-62.6-44.9177.9-67.8165.5000110.8F4 K44 R45 Y50 L51 Y52F4-I48 HydrophobicContact CE1-CD1 3.7Å; F4-I48 HydrophobicContact CZ-CD1 3.6Å; F4-I48 HydrophobicContact CZ-CG1 4.49Å; K44-I48 HydrophobicContact CD-CD1 4.45Å; K44-I48 HydrophobicContact CG-CD1 3.67Å; K44-I48 HydrophobicContact CG-CG1 4.47Å; K44-I48 WeakPolarHBondContact O-CB 3.5Å; K44-I48 WeakPolarHBondContact O-CD1 3.45Å; K44-I48 VanDerWaalsContact O-CG1 3.24Å; K44-I48 WeakPolarHBondContact O-CG1 3.43Å; K44-I48 PolarHBondContact O-N 2.96Å; R45-I48 PolarHBondContact O-N 3.44Å; I48-Y50 VanDerWaalsContact C-N 3.33Å; I48-Y50 PolarHBondContact O-N 3.4Å; I48-L51 PolarHBondContact O-N 3.44Å; I48-Y52 WeakPolarHBondContact O-CB 3.4Å; I48-Y52 PolarHBondContact O-N 2.94Å
49T96.7Very high95Very high90 Ų9087 Ų8755%0.55241%0.41SS*.Hα-helixtrans-60.9-44178.5-61.90000111.2R45 C46 V47 Y52 H53R45-T49 WeakPolarHBondContact O-CB 3.33Å; R45-T49 PolarHBondContact O-N 3.41Å; R45-T49 PolarHBondContact O-OG1 3.28Å; C46-T49 PolarHBondContact O-N 2.96Å; V47-T49 PolarHBondContact O-N 2.98Å; T49-Y52 PolarHBondContact O-N 3.47Å; T49-H53 WeakPolarHBondContact O-CB 3.08Å; T49-H53 PolarHBondContact O-N 2.97Å
50Y96.3Very high95.1Very high146 Ų14689.7 Ų89.757%0.57341%0.41SS*.Hα-helixtrans-59.5-52.1176.2173.9-97.9000111.7C46 V47 I48 Y52 H53 R54C46-Y50 WeakPolarHBondContact O-CB 3.49Å; C46-Y50 PolarHBondContact O-N 3.44Å; V47-Y50 PolarHBondContact O-N 2.7Å; I48-Y50 VanDerWaalsContact C-N 3.33Å; I48-Y50 PolarHBondContact O-N 3.4Å; Y50-Y52 PolarHBondContact O-N 3.48Å; Y50-H53 PolarHBondContact O-N 3.46Å; Y50-R54 WeakPolarHBondContact O-CB 3.47Å; Y50-R54 PolarHBondContact O-N 2.94Å
51L96Very high95Very high85 Ų8587.2 Ų87.245%0.44540%0.398SS..Hα-helixtrans-62.9-42.4179.8-68.9173.9000111.8V47 I48 R54 L55V47-L51 HydrophobicContact CG1-CD1 3.91Å; V47-L51 HydrophobicContact CG1-CG 4.41Å; V47-L51 WeakPolarHBondContact O-CG 3.2Å; V47-L51 PolarHBondContact O-N 3.33Å; I48-L51 PolarHBondContact O-N 3.44Å; L51-R54 PolarHBondContact O-N 3.35Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.21Å
52Y96.4Very high95.1Very high131 Ų13186.5 Ų86.551%0.51439%0.393SS..Hα-helixtrans-63.5-45.7178.5176.3-101.4000112.1I48 T49 Y50 R54 L55 K56I48-Y52 WeakPolarHBondContact O-CB 3.4Å; I48-Y52 PolarHBondContact O-N 2.94Å; T49-Y52 PolarHBondContact O-N 3.47Å; Y50-Y52 PolarHBondContact O-N 3.48Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 2.81Å; Y52-L55 PolarHBondContact O-N 2.99Å; Y52-K56 HydrophobicContact CD1-CG 4.39Å; Y52-K56 HydrophobicContact CE1-CG 3.93Å; Y52-K56 HydrophobicContact CE2-CG 4.24Å; Y52-K56 WeakPolarHBondContact O-CG 3.34Å; Y52-K56 PolarHBondContact O-N 3.37Å; Y52-K56 WeakPolarHBondContact OH-CE 3.49Å
53H97.2Very high95Very high120 Ų12081.2 Ų81.256%0.55637%0.373SS*.Hα-helixtrans-59-44.8175.5-179.3-78.1000110.8T49 Y50 K56 E57T49-H53 WeakPolarHBondContact O-CB 3.08Å; T49-H53 PolarHBondContact O-N 2.97Å; Y50-H53 PolarHBondContact O-N 3.46Å; H53-K56 WeakPolarHBondContact O-CB 3.45Å; H53-K56 PolarHBondContact O-N 3.45Å; H53-K56 VanDerWaalsContact O-N 3.16Å; H53-E57 PolarHBondContact O-N 2.88Å
54R96Very high94.6Very high68 Ų6877.7 Ų77.726%0.25736%0.359SS..Hα-helixtrans-63.3-42.8179-162.3169.6154.7101.46112.1Y50 L51 Y52 K56 E57 V58 N76 E81Y50-R54 WeakPolarHBondContact O-CB 3.47Å; Y50-R54 PolarHBondContact O-N 2.94Å; L51-R54 PolarHBondContact O-N 3.35Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 2.81Å; R54-K56 VanDerWaalsContact C-N 3.31Å; R54-K56 PolarHBondContact O-N 3.41Å; R54-E57 PolarHBondContact O-N 3.03Å; R54-V58 WeakPolarHBondContact O-CG2 3.33Å; R54-V58 PolarHBondContact O-N 2.86Å; R54-N76 PolarHBondContact NH2-O 3.48Å; R54-E81 WeakPolarHBondContact CD-OE1 3.33Å; R54-E81 VanDerWaalsContact CG-OE1 3.23Å; R54-E81 WeakPolarHBondContact CG-OE1 3.34Å; R54-E81 IonicContact CZ-OE1 3.29Å; R54-E81 IonicContact CZ-OE2 3.7Å; R54-E81 IonicContact NE-OE1 3.58Å; R54-E81 PolarHBondContact NE-OE1 3.35Å; R54-E81 IonicContact NE-OE2 2.66Å; R54-E81 PolarHBondContact NE-OE2 3.4Å; R54-E81 IonicContact NH2-OE1 2.94Å; R54-E81 IonicContact NH2-OE2 3.87Å; R54-E81 PolarHBondContact NH2-OE2 2.92Å
55L95.3Very high94.2Very high49 Ų4976 Ų7626%0.25735%0.354SS..Hα-helixtrans-62.3-35.4172.7-71.5175.9000112.8L51 Y52 V58 E59 E81 W84L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.21Å; Y52-L55 PolarHBondContact O-N 2.99Å; L55-V58 PolarHBondContact O-N 3.04Å; L55-E59 WeakPolarHBondContact O-CB 3.23Å; L55-E59 PolarHBondContact O-N 2.96Å; L55-E81 HydrophobicContact CD2-CG 4.49Å; L55-W84 HydrophobicContact CD2-CB 4.43Å; L55-W84 HydrophobicContact CD2-CD2 3.59Å; L55-W84 HydrophobicContact CD2-CE3 3.83Å; L55-W84 HydrophobicContact CD2-CG 3.85Å; L55-W84 HydrophobicContact CD2-CZ2 4.46Å; L55-W84 HydrophobicContact CD2-CZ3 4.37Å
56K96.2Very high93.7Very high87 Ų8768.5 Ų68.538%0.37833%0.33SS..Hα-helixtrans-66.7-35.5174.9-78-68.5176.4-166.80112.9Y52 H53 R54 E59 R60Y52-K56 HydrophobicContact CD1-CG 4.39Å; Y52-K56 HydrophobicContact CE1-CG 3.93Å; Y52-K56 HydrophobicContact CE2-CG 4.24Å; Y52-K56 WeakPolarHBondContact O-CG 3.34Å; Y52-K56 PolarHBondContact O-N 3.37Å; Y52-K56 WeakPolarHBondContact OH-CE 3.49Å; H53-K56 WeakPolarHBondContact O-CB 3.45Å; H53-K56 PolarHBondContact O-N 3.45Å; H53-K56 VanDerWaalsContact O-N 3.16Å; R54-K56 VanDerWaalsContact C-N 3.31Å; R54-K56 PolarHBondContact O-N 3.41Å; K56-E59 WeakPolarHBondContact CD-OE2 3.39Å; K56-E59 IonicContact NZ-OE2 2.7Å; K56-E59 PolarHBondContact NZ-OE2 3.3Å; K56-E59 WeakPolarHBondContact O-CB 3.4Å; K56-E59 PolarHBondContact O-N 3.16Å; K56-R60 WeakPolarHBondContact O-CB 3.49Å; K56-R60 PolarHBondContact O-N 2.84Å
57E94.6Very high93.1Very high71 Ų7167.3 Ų67.333%0.33233%0.329SS..Hα-helixtrans-67.8-40.2171.1-70.3-54.3128.900112H53 R54 E59 R60 L61H53-E57 PolarHBondContact O-N 2.88Å; R54-E57 PolarHBondContact O-N 3.03Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.16Å; E57-R60 WeakPolarHBondContact O-CB 3.46Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE2-CZ 3.36Å; E57-R60 IonicContact OE2-NE 2.75Å; E57-R60 PolarHBondContact OE2-NE 3.31Å; E57-R60 IonicContact OE2-NH2 3.06Å; E57-R60 PolarHBondContact OE2-NH2 2.97Å; E57-L61 WeakPolarHBondContact O-CG 3.46Å; E57-L61 PolarHBondContact O-N 3.41Å
58V94.1Very high92.6Very high3 Ų368.5 Ų68.52%0.01834%0.336CS..Hα-helixtrans-63.6-38.3174.3178.80000111.7R54 L55 L61 R62 L77 W84 F85R54-V58 WeakPolarHBondContact O-CG2 3.33Å; R54-V58 PolarHBondContact O-N 2.86Å; L55-V58 PolarHBondContact O-N 3.04Å; V58-L61 WeakPolarHBondContact O-CB 3.47Å; V58-L61 PolarHBondContact O-N 3.27Å; V58-R62 PolarHBondContact O-N 2.87Å; V58-L77 HydrophobicContact CG2-CD2 3.64Å; V58-W84 HydrophobicContact CB-CE3 4.35Å; V58-W84 HydrophobicContact CB-CZ3 4.02Å; V58-W84 HydrophobicContact CG1-CE3 3.81Å; V58-W84 HydrophobicContact CG1-CZ3 3.74Å; V58-F85 HydrophobicContact CG1-CB 3.89Å; V58-F85 HydrophobicContact CG1-CD2 3.71Å; V58-F85 HydrophobicContact CG1-CG 4.27Å
59E94.7Very high92.2Very high45 Ų4566.3 Ų66.321%0.2133%0.325CS..Hα-helixtrans-59.3-51.1171-172.6173.4-169.600110.7L55 K56 E57 L61 R62 W63 W84 Y88L55-E59 WeakPolarHBondContact O-CB 3.23Å; L55-E59 PolarHBondContact O-N 2.96Å; K56-E59 WeakPolarHBondContact CD-OE2 3.39Å; K56-E59 IonicContact NZ-OE2 2.7Å; K56-E59 PolarHBondContact NZ-OE2 3.3Å; K56-E59 WeakPolarHBondContact O-CB 3.4Å; K56-E59 PolarHBondContact O-N 3.16Å; E57-E59 VanDerWaalsContact C-N 3.32Å; E57-E59 PolarHBondContact O-N 3.16Å; E59-L61 VanDerWaalsContact C-N 3.25Å; E59-L61 PolarHBondContact O-N 3.01Å; E59-R62 WeakPolarHBondContact O-CB 3.07Å; E59-R62 PolarHBondContact O-N 2.67Å; E59-W63 VanDerWaalsContact O-CD1 3.25Å; E59-W84 HydrophobicContact CB-CH2 4.05Å; E59-Y88 HydrophobicContact CG-CE1 4.15Å; E59-Y88 HydrophobicContact CG-CE2 4.06Å; E59-Y88 WeakPolarHBondContact CG-OH 3.45Å; E59-Y88 PolarHBondContact OE1-OH 3.36Å
60R93.7Very high91.8Very high121 Ų12163.9 Ų63.946%0.45731%0.311SS..Hα-helixtrans-57-40.3179.1-169.8-177.466.574.92.1111.7K56 E57 R62 W63 T64K56-R60 WeakPolarHBondContact O-CB 3.49Å; K56-R60 PolarHBondContact O-N 2.84Å; E57-R60 WeakPolarHBondContact O-CB 3.46Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE2-CZ 3.36Å; E57-R60 IonicContact OE2-NE 2.75Å; E57-R60 PolarHBondContact OE2-NE 3.31Å; E57-R60 IonicContact OE2-NH2 3.06Å; E57-R60 PolarHBondContact OE2-NH2 2.97Å; R60-R62 VanDerWaalsContact C-N 3.3Å; R60-R62 PolarHBondContact O-N 3.5Å; R60-W63 PolarHBondContact O-N 3.19Å; R60-T64 HydrophobicContact CG-CG2 4.28Å; R60-T64 PolarHBondContact O-N 3.33Å; R60-T64 PolarHBondContact O-OG1 2.85Å
61L91.8Very high91.3Very high28 Ų2864 Ų6415%0.14732%0.319CS..Hα-helixtrans-58-39176.9-75.3164.8000112.7E57 V58 E59 W63 T64 T65 L69 V73E57-L61 WeakPolarHBondContact O-CG 3.46Å; E57-L61 PolarHBondContact O-N 3.41Å; V58-L61 WeakPolarHBondContact O-CB 3.47Å; V58-L61 PolarHBondContact O-N 3.27Å; E59-L61 VanDerWaalsContact C-N 3.25Å; E59-L61 PolarHBondContact O-N 3.01Å; L61-W63 PolarHBondContact O-N 3.33Å; L61-T64 WeakPolarHBondContact CA-OG1 3.38Å; L61-T64 PolarHBondContact O-N 3.5Å; L61-T64 PolarHBondContact O-OG1 3.41Å; L61-T65 PolarHBondContact O-N 3.46Å; L61-L69 HydrophobicContact CB-CD2 4.43Å; L61-V73 HydrophobicContact CD1-CG1 3.56Å; L61-V73 HydrophobicContact CD2-CG1 4.36Å
62R91.9Very high91Very high16 Ų1664.8 Ų64.86%0.0632%0.323CS..Hα-helixtrans-60.4-35175.8178.656.1-173.487.9-2112.3V58 E59 R60 G66 F85 Y88 S89 L92V58-R62 PolarHBondContact O-N 2.87Å; E59-R62 WeakPolarHBondContact O-CB 3.07Å; E59-R62 PolarHBondContact O-N 2.67Å; R60-R62 VanDerWaalsContact C-N 3.3Å; R60-R62 PolarHBondContact O-N 3.5Å; R62-G66 WeakPolarHBondContact CD-O 3.35Å; R62-G66 VanDerWaalsContact NH1-C 3.3Å; R62-G66 CarbonylContact O-C 3.59Å; R62-G66 WeakPolarHBondContact O-CA 3.41Å; R62-G66 PolarHBondContact O-N 3Å; R62-F85 HydrophobicContact CB-CD2 4.42Å; R62-F85 HydrophobicContact CB-CE2 3.63Å; R62-F85 HydrophobicContact CB-CZ 4.22Å; R62-F85 HydrophobicContact CG-CE2 4.36Å; R62-Y88 HydrophobicContact CB-CD1 4.28Å; R62-Y88 HydrophobicContact CB-CE1 4.11Å; R62-Y88 HydrophobicContact CG-CD1 4.05Å; R62-Y88 HydrophobicContact CG-CE1 3.9Å; R62-S89 WeakPolarHBondContact CD-OG 3.47Å; R62-L92 HydrophobicContact CG-CD2 3.99Å
63W90.7Very high90.7Very high77 Ų7760 Ų6029%0.29231%0.307SS..Hα-helixtrans-84.5-24.3-179.4-68.897.7000113.4E59 R60 L61 Y88 L92 L107 T108 M111E59-W63 VanDerWaalsContact O-CD1 3.25Å; R60-W63 PolarHBondContact O-N 3.19Å; L61-W63 PolarHBondContact O-N 3.33Å; W63-Y88 PolarHBondContact NE1-OH 3.11Å; W63-L92 HydrophobicContact CH2-CD1 3.96Å; W63-L92 HydrophobicContact CZ2-CD1 3.83Å; W63-L92 HydrophobicContact CZ2-CD2 4.19Å; W63-L107 HydrophobicContact CH2-CB 4.36Å; W63-L107 HydrophobicContact CZ3-CB 4.28Å; W63-L107 WeakPolarHBondContact CZ3-O 3.46Å; W63-T108 HydrophobicContact CD2-CG2 4.27Å; W63-T108 HydrophobicContact CE3-CG2 3.6Å; W63-T108 HydrophobicContact CH2-CG2 4.35Å; W63-T108 HydrophobicContact CZ3-CG2 3.66Å; W63-M111 HydrophobicContact CE3-CE 3.64Å; W63-M111 HydrophobicContact CZ3-CE 4.19Å
64T87.8Confident90.4Very high54 Ų5461.2 Ų61.233%0.33131%0.307SS..Hα-helixtrans-92.1-37.1179.256.10000113.7R60 L61 L158R60-T64 HydrophobicContact CG-CG2 4.28Å; R60-T64 PolarHBondContact O-N 3.33Å; R60-T64 PolarHBondContact O-OG1 2.85Å; L61-T64 WeakPolarHBondContact CA-OG1 3.38Å; L61-T64 PolarHBondContact O-N 3.5Å; L61-T64 PolarHBondContact O-OG1 3.41Å; T64-L158 WeakPolarHBondContact O-CD2 3.47Å
65T84.7Confident90.3Very high20 Ų2065.4 Ų65.412%0.12333%0.33CS..Hα-helixtrans-109-17.4-173.4-48.20000112.7L61 P70L61-T65 PolarHBondContact O-N 3.46Å; T65-P70 HydrophobicContact CG2-CG 3.62Å
66G84.4Confident90.2Very high14 Ų1468.8 Ų68.814%0.14435%0.348CS..  trans94.7-160.9-177.500000113R62 V68R62-G66 WeakPolarHBondContact CD-O 3.35Å; R62-G66 VanDerWaalsContact NH1-C 3.3Å; R62-G66 CarbonylContact O-C 3.59Å; R62-G66 WeakPolarHBondContact O-CA 3.41Å; R62-G66 PolarHBondContact O-N 3Å; G66-V68 PolarHBondContact O-N 2.83Å
67G84.3Confident90.1Very high45 Ų4565.8 Ų65.846%0.46434%0.336SS..SBendtrans-74-7.1-173.500000115.6
68V85.7Confident90Very high98 Ų9865 Ų6559%0.59434%0.338SS*.SBendtrans-114.5126.5-178.9-176.90000108.9G66G66-V68 PolarHBondContact O-N 2.83Å
69L88Confident90.1Very high25 Ų2573 Ų7313%0.13138%0.375CS..  trans-82.4132.5176.1-71.1169.7000110.4L61 V73 L77 F85L61-L69 HydrophobicContact CB-CD2 4.43Å; L69-V73 HydrophobicContact CD2-CG1 4.44Å; L69-L77 HydrophobicContact CD1-CD1 3.9Å; L69-F85 HydrophobicContact CD1-CB 4.5Å; L69-F85 HydrophobicContact CD1-CD1 3.73Å; L69-F85 HydrophobicContact CD1-CD2 4.28Å; L69-F85 HydrophobicContact CD1-CE1 3.96Å; L69-F85 HydrophobicContact CD1-CE2 4.45Å; L69-F85 HydrophobicContact CD1-CG 3.92Å; L69-F85 HydrophobicContact CD1-CZ 4.31Å; L69-F85 HydrophobicContact CD2-CD2 4.06Å; L69-F85 HydrophobicContact CD2-CE1 4.2Å; L69-F85 HydrophobicContact CD2-CE2 3.62Å; L69-F85 HydrophobicContact CD2-CZ 3.71Å; L69-F85 HydrophobicContact CG-CD1 4.01Å; L69-F85 HydrophobicContact CG-CD2 4.38Å; L69-F85 HydrophobicContact CG-CE1 3.68Å; L69-F85 HydrophobicContact CG-CE2 4.05Å; L69-F85 HydrophobicContact CG-CG 4.35Å; L69-F85 HydrophobicContact CG-CZ 3.7Å
70P87.1Confident90.1Very high38 Ų3878 Ų7825%0.24740%0.4CS..  trans-55.5147.8167.4-26.737.4000111.8T65 D72 V73 R74T65-P70 HydrophobicContact CG2-CG 3.62Å; P70-D72 WeakPolarHBondContact CB-OD1 3.39Å; P70-D72 PolarHBondContact O-N 3.46Å; P70-V73 HydrophobicContact CB-CB 4.41Å; P70-V73 HydrophobicContact CB-CG2 4.13Å; P70-V73 HydrophobicContact CG-CG2 4.32Å; P70-V73 PolarHBondContact O-N 3.47Å; P70-R74 WeakPolarHBondContact O-CB 3.46Å; P70-R74 PolarHBondContact O-N 2.83Å
71M87.1Confident90.2Very high150 Ų15072.8 Ų72.874%0.73938%0.381SS*.Hα-helixtrans-62.7-41.9-175.7-72.5-176.861.300112.4V73 R74 E75M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.37Å; M71-R74 PolarHBondContact O-N 3.27Å; M71-E75 WeakPolarHBondContact O-CG 3.45Å; M71-E75 PolarHBondContact O-N 3.26Å
72D88.7Confident90.3Very high100 Ų10072.9 Ų72.954%0.53538%0.382SS..Hα-helixtrans-59.5-40.2176.560.7-51.2000112.3P70 N76P70-D72 WeakPolarHBondContact CB-OD1 3.39Å; P70-D72 PolarHBondContact O-N 3.46Å; D72-N76 PolarHBondContact O-ND2 2.95Å
73V90.7Very high90.5Very high30 Ų3078.5 Ų78.518%0.18241%0.409CS..Hα-helixtrans-71.1-42.8175.9178.10000110.2L61 L69 P70 M71 E75 N76 L77L61-V73 HydrophobicContact CD1-CG1 3.56Å; L61-V73 HydrophobicContact CD2-CG1 4.36Å; L69-V73 HydrophobicContact CD2-CG1 4.44Å; P70-V73 HydrophobicContact CB-CB 4.41Å; P70-V73 HydrophobicContact CB-CG2 4.13Å; P70-V73 HydrophobicContact CG-CG2 4.32Å; P70-V73 PolarHBondContact O-N 3.47Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.37Å; V73-E75 VanDerWaalsContact C-N 3.31Å; V73-E75 PolarHBondContact O-N 2.99Å; V73-N76 PolarHBondContact O-N 3.07Å; V73-N76 VanDerWaalsContact O-N 3.08Å; V73-L77 HydrophobicContact CG1-CD1 4.19Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 3.29Å
74R91.2Very high90.7Very high146 Ų14678.8 Ų78.855%0.55141%0.41SS*.Hα-helixtrans-61.3-37.7-178.4-173.6177.8179.3178.6-1112.6P70 M71 N76 L77 I82P70-R74 WeakPolarHBondContact O-CB 3.46Å; P70-R74 PolarHBondContact O-N 2.83Å; M71-R74 PolarHBondContact O-N 3.27Å; R74-N76 PolarHBondContact O-N 3.41Å; R74-L77 PolarHBondContact O-N 2.98Å; R74-I82 HydrophobicContact CG-CD1 4.07Å
75E92.8Very high91.1Very high156 Ų15676.6 Ų76.673%0.72940%0.396SS*.Hα-helixtrans-63.9-26.3176.3-73.8176.2-174.600113.2M71 V73M71-E75 WeakPolarHBondContact O-CG 3.45Å; M71-E75 PolarHBondContact O-N 3.26Å; V73-E75 VanDerWaalsContact C-N 3.31Å; V73-E75 PolarHBondContact O-N 2.99Å
76N93.4Very high91.6Very high120 Ų12080.8 Ų80.864%0.64241%0.414SS*.THydrogen-bonded Turntrans-90-4.8179.8-73-62.3000113.8R54 D72 V73 R74R54-N76 PolarHBondContact NH2-O 3.48Å; D72-N76 PolarHBondContact O-ND2 2.95Å; V73-N76 PolarHBondContact O-N 3.07Å; V73-N76 VanDerWaalsContact O-N 3.08Å; R74-N76 PolarHBondContact O-N 3.41Å
77L93.8Very high92.1Very high25 Ų2582.4 Ų82.413%0.13142%0.423CS..SBendtrans-97.3144.6-178.7-67.1176000111.8V58 L69 V73 R74 E81 I82V58-L77 HydrophobicContact CG2-CD2 3.64Å; L69-L77 HydrophobicContact CD1-CD1 3.9Å; V73-L77 HydrophobicContact CG1-CD1 4.19Å; V73-L77 WeakPolarHBondContact O-CG 3.34Å; V73-L77 PolarHBondContact O-N 3.29Å; R74-L77 PolarHBondContact O-N 2.98Å; L77-E81 HydrophobicContact CB-CB 4.46Å; L77-E81 HydrophobicContact CD2-CB 4.42Å; L77-I82 HydrophobicContact CB-CD1 4.44Å; L77-I82 HydrophobicContact CB-CG1 3.98Å
78S94.3Very high92.7Very high53 Ų5382.5 Ų82.537%0.37141%0.41SS..  trans-75155.817163.50000111M80 E81 I82S78-M80 PolarHBondContact O-N 3.23Å; S78-E81 PolarHBondContact N-OE2 3.21Å; S78-E81 WeakPolarHBondContact O-CB 3.49Å; S78-E81 PolarHBondContact O-N 3.32Å; S78-E81 WeakPolarHBondContact OG-CG 3.39Å; S78-E81 PolarHBondContact OG-N 3Å; S78-E81 PolarHBondContact OG-OE2 3.47Å; S78-I82 WeakPolarHBondContact O-CG1 3.28Å; S78-I82 PolarHBondContact O-N 3.36Å
79E94.9Very high93Very high171 Ų17178.6 Ų78.680%0.79939%0.387SS*.Hα-helixtrans-55.8-39.1178.7-65-179.8174.700112.5E81 I82 E83E79-E81 VanDerWaalsContact C-N 3.3Å; E79-E81 PolarHBondContact O-N 3.05Å; E79-I82 PolarHBondContact O-N 2.87Å; E79-E83 PolarHBondContact O-N 2.97Å
80M94.8Very high93.3Very high150 Ų15085.4 Ų85.474%0.73941%0.411SS*.Hα-helixtrans-64.5-33.7176.8-62.9-17574.600112.7S78 W84S78-M80 PolarHBondContact O-N 3.23Å; M80-W84 WeakPolarHBondContact O-CB 3.5Å; M80-W84 PolarHBondContact O-N 2.75Å
81E95.1Very high93.7Very high12 Ų1288.1 Ų88.16%0.05642%0.423CS..Hα-helixtrans-74.7-34.5176.9-72.4169.5145.300111.9R54 L55 L77 S78 E79 W84 F85R54-E81 WeakPolarHBondContact CD-OE1 3.33Å; R54-E81 VanDerWaalsContact CG-OE1 3.23Å; R54-E81 WeakPolarHBondContact CG-OE1 3.34Å; R54-E81 IonicContact CZ-OE1 3.29Å; R54-E81 IonicContact CZ-OE2 3.7Å; R54-E81 IonicContact NE-OE1 3.58Å; R54-E81 PolarHBondContact NE-OE1 3.35Å; R54-E81 IonicContact NE-OE2 2.66Å; R54-E81 PolarHBondContact NE-OE2 3.4Å; R54-E81 IonicContact NH2-OE1 2.94Å; R54-E81 IonicContact NH2-OE2 3.87Å; R54-E81 PolarHBondContact NH2-OE2 2.92Å; L55-E81 HydrophobicContact CD2-CG 4.49Å; L77-E81 HydrophobicContact CB-CB 4.46Å; L77-E81 HydrophobicContact CD2-CB 4.42Å; S78-E81 PolarHBondContact N-OE2 3.21Å; S78-E81 WeakPolarHBondContact O-CB 3.49Å; S78-E81 PolarHBondContact O-N 3.32Å; S78-E81 WeakPolarHBondContact OG-CG 3.39Å; S78-E81 PolarHBondContact OG-N 3Å; S78-E81 PolarHBondContact OG-OE2 3.47Å; E79-E81 VanDerWaalsContact C-N 3.3Å; E79-E81 PolarHBondContact O-N 3.05Å; E81-W84 PolarHBondContact O-N 2.66Å; E81-F85 WeakPolarHBondContact O-CB 3.2Å; E81-F85 PolarHBondContact O-N 3.2Å
82I94.4Very high94Very high30 Ų3081.6 Ų81.615%0.15439%0.391CS..Hα-helixtrans-64.9-45.5173.5-63.2170.4000109.8R74 L77 S78 E79 W84 F85 Q86R74-I82 HydrophobicContact CG-CD1 4.07Å; L77-I82 HydrophobicContact CB-CD1 4.44Å; L77-I82 HydrophobicContact CB-CG1 3.98Å; S78-I82 WeakPolarHBondContact O-CG1 3.28Å; S78-I82 PolarHBondContact O-N 3.36Å; E79-I82 PolarHBondContact O-N 2.87Å; I82-W84 VanDerWaalsContact C-N 3.33Å; I82-W84 PolarHBondContact O-N 2.74Å; I82-F85 PolarHBondContact O-N 3Å; I82-Q86 WeakPolarHBondContact O-CG 3.21Å; I82-Q86 PolarHBondContact O-N 3.24Å
83E95.7Very high94.1Very high135 Ų13580.9 Ų80.963%0.63139%0.391SS*.Hα-helixtrans-60.5-43.4174.3-174-176.9-173.400111.3E79 F85 Q86 S87E79-E83 PolarHBondContact O-N 2.97Å; E83-F85 PolarHBondContact O-N 3.06Å; E83-Q86 PolarHBondContact O-N 3.01Å; E83-S87 WeakPolarHBondContact O-CB 3.46Å; E83-S87 PolarHBondContact O-N 3.13Å
84W95.9Very high94.2Very high82 Ų8287.2 Ų87.231%0.31142%0.416SS..Hα-helixtrans-60.3-44.5175.3-17789.6000112L55 V58 E59 M80 E81 I82 Q86 S87 Y88L55-W84 HydrophobicContact CD2-CB 4.43Å; L55-W84 HydrophobicContact CD2-CD2 3.59Å; L55-W84 HydrophobicContact CD2-CE3 3.83Å; L55-W84 HydrophobicContact CD2-CG 3.85Å; L55-W84 HydrophobicContact CD2-CZ2 4.46Å; L55-W84 HydrophobicContact CD2-CZ3 4.37Å; V58-W84 HydrophobicContact CB-CE3 4.35Å; V58-W84 HydrophobicContact CB-CZ3 4.02Å; V58-W84 HydrophobicContact CG1-CE3 3.81Å; V58-W84 HydrophobicContact CG1-CZ3 3.74Å; E59-W84 HydrophobicContact CB-CH2 4.05Å; M80-W84 WeakPolarHBondContact O-CB 3.5Å; M80-W84 PolarHBondContact O-N 2.75Å; E81-W84 PolarHBondContact O-N 2.66Å; I82-W84 VanDerWaalsContact C-N 3.33Å; I82-W84 PolarHBondContact O-N 2.74Å; W84-Q86 VanDerWaalsContact C-N 3.35Å; W84-Q86 PolarHBondContact O-N 3.27Å; W84-S87 PolarHBondContact O-N 3.17Å; W84-Y88 HydrophobicContact CH2-CD2 4.13Å; W84-Y88 HydrophobicContact CH2-CG 4.26Å; W84-Y88 HydrophobicContact CZ2-CD2 4.29Å; W84-Y88 WeakPolarHBondContact O-CB 3.45Å; W84-Y88 PolarHBondContact O-N 2.85Å
85F95.3Very high94.3Very high9 Ų986.5 Ų86.54%0.03941%0.414CS..Hα-helixtrans-61.2-42177.2177.4-89.5000112V58 R62 L69 E81 I82 E83 Y88 S89V58-F85 HydrophobicContact CG1-CB 3.89Å; V58-F85 HydrophobicContact CG1-CD2 3.71Å; V58-F85 HydrophobicContact CG1-CG 4.27Å; R62-F85 HydrophobicContact CB-CD2 4.42Å; R62-F85 HydrophobicContact CB-CE2 3.63Å; R62-F85 HydrophobicContact CB-CZ 4.22Å; R62-F85 HydrophobicContact CG-CE2 4.36Å; L69-F85 HydrophobicContact CD1-CB 4.5Å; L69-F85 HydrophobicContact CD1-CD1 3.73Å; L69-F85 HydrophobicContact CD1-CD2 4.28Å; L69-F85 HydrophobicContact CD1-CE1 3.96Å; L69-F85 HydrophobicContact CD1-CE2 4.45Å; L69-F85 HydrophobicContact CD1-CG 3.92Å; L69-F85 HydrophobicContact CD1-CZ 4.31Å; L69-F85 HydrophobicContact CD2-CD2 4.06Å; L69-F85 HydrophobicContact CD2-CE1 4.2Å; L69-F85 HydrophobicContact CD2-CE2 3.62Å; L69-F85 HydrophobicContact CD2-CZ 3.71Å; L69-F85 HydrophobicContact CG-CD1 4.01Å; L69-F85 HydrophobicContact CG-CD2 4.38Å; L69-F85 HydrophobicContact CG-CE1 3.68Å; L69-F85 HydrophobicContact CG-CE2 4.05Å; L69-F85 HydrophobicContact CG-CG 4.35Å; L69-F85 HydrophobicContact CG-CZ 3.7Å; E81-F85 WeakPolarHBondContact O-CB 3.2Å; E81-F85 PolarHBondContact O-N 3.2Å; I82-F85 PolarHBondContact O-N 3Å; E83-F85 PolarHBondContact O-N 3.06Å; F85-Y88 PolarHBondContact O-N 3.47Å; F85-S89 VanDerWaalsContact O-CB 3.31Å; F85-S89 WeakPolarHBondContact O-CB 3.33Å; F85-S89 PolarHBondContact O-N 2.96Å; F85-S89 PolarHBondContact O-OG 3.17Å
86Q95Very high94.3Very high108 Ų10880.1 Ų80.151%0.50539%0.385SS..Hα-helixtrans-64.8-42.3176.2-70.4173.31.400111.7I82 E83 W84 S89 R90I82-Q86 WeakPolarHBondContact O-CG 3.21Å; I82-Q86 PolarHBondContact O-N 3.24Å; E83-Q86 PolarHBondContact O-N 3.01Å; W84-Q86 VanDerWaalsContact C-N 3.35Å; W84-Q86 PolarHBondContact O-N 3.27Å; Q86-S89 PolarHBondContact O-N 3.4Å; Q86-R90 WeakPolarHBondContact O-CB 3.32Å; Q86-R90 PolarHBondContact O-N 3.31Å
87S96Very high94.1Very high48 Ų4876.5 Ų76.534%0.33638%0.376SS..Hα-helixtrans-63.8-45.5175.7-173.40000111.8E83 W84 S89 R90 N91E83-S87 WeakPolarHBondContact O-CB 3.46Å; E83-S87 PolarHBondContact O-N 3.13Å; W84-S87 PolarHBondContact O-N 3.17Å; S87-S89 PolarHBondContact O-N 3.39Å; S87-R90 PolarHBondContact O-N 3.05Å; S87-N91 VanDerWaalsContact O-CG 3.25Å; S87-N91 PolarHBondContact O-N 3.42Å; S87-N91 PolarHBondContact O-ND2 2.85Å
88Y96Very high94Very high46 Ų4678.8 Ų78.818%0.1839%0.394CS..Hα-helixtrans-59.9-46.2174.5-178.8-95.3000111.6E59 R62 W63 W84 F85 R90 N91 L92E59-Y88 HydrophobicContact CG-CE1 4.15Å; E59-Y88 HydrophobicContact CG-CE2 4.06Å; E59-Y88 WeakPolarHBondContact CG-OH 3.45Å; E59-Y88 PolarHBondContact OE1-OH 3.36Å; R62-Y88 HydrophobicContact CB-CD1 4.28Å; R62-Y88 HydrophobicContact CB-CE1 4.11Å; R62-Y88 HydrophobicContact CG-CD1 4.05Å; R62-Y88 HydrophobicContact CG-CE1 3.9Å; W63-Y88 PolarHBondContact NE1-OH 3.11Å; W84-Y88 HydrophobicContact CH2-CD2 4.13Å; W84-Y88 HydrophobicContact CH2-CG 4.26Å; W84-Y88 HydrophobicContact CZ2-CD2 4.29Å; W84-Y88 WeakPolarHBondContact O-CB 3.45Å; W84-Y88 PolarHBondContact O-N 2.85Å; F85-Y88 PolarHBondContact O-N 3.47Å; Y88-R90 VanDerWaalsContact C-N 3.33Å; Y88-R90 PolarHBondContact O-N 2.96Å; Y88-N91 PolarHBondContact O-N 3.18Å; Y88-L92 HydrophobicContact CE1-CD2 4.37Å; Y88-L92 WeakPolarHBondContact O-CB 3.31Å; Y88-L92 PolarHBondContact O-N 2.98Å
89S93.6Very high93.8Very high17 Ų1779.5 Ų79.512%0.11940%0.396CS..Hα-helixtrans-60.3-42.1178-640000111.9R62 F85 Q86 S87 L92 T93R62-S89 WeakPolarHBondContact CD-OG 3.47Å; F85-S89 VanDerWaalsContact O-CB 3.31Å; F85-S89 WeakPolarHBondContact O-CB 3.33Å; F85-S89 PolarHBondContact O-N 2.96Å; F85-S89 PolarHBondContact O-OG 3.17Å; Q86-S89 PolarHBondContact O-N 3.4Å; S87-S89 PolarHBondContact O-N 3.39Å; S89-L92 PolarHBondContact O-N 2.84Å; S89-T93 PolarHBondContact O-N 2.85Å; S89-T93 PolarHBondContact O-OG1 2.94Å; S89-T93 VanDerWaalsContact O-OG1 3.11Å
90R94.1Very high93.4Very high168 Ų16872.8 Ų72.863%0.63437%0.365SS*.Hα-helixtrans-61.9-44.4174.6-171.9-172.3-59133.22.6111.9Q86 S87 Y88 L92 T93 F94Q86-R90 WeakPolarHBondContact O-CB 3.32Å; Q86-R90 PolarHBondContact O-N 3.31Å; S87-R90 PolarHBondContact O-N 3.05Å; Y88-R90 VanDerWaalsContact C-N 3.33Å; Y88-R90 PolarHBondContact O-N 2.96Å; R90-L92 VanDerWaalsContact C-N 3.33Å; R90-T93 PolarHBondContact O-N 3.43Å; R90-F94 PolarHBondContact O-N 3.31Å
91N94.8Very high92.8Very high95 Ų9570.9 Ų70.951%0.50836%0.364SS..Hα-helixtrans-64.9-38.3177.9-67.6-24.9000111.7S87 Y88 F94 Y95S87-N91 VanDerWaalsContact O-CG 3.25Å; S87-N91 PolarHBondContact O-N 3.42Å; S87-N91 PolarHBondContact O-ND2 2.85Å; Y88-N91 PolarHBondContact O-N 3.18Å; N91-F94 PolarHBondContact O-N 2.65Å; N91-Y95 WeakPolarHBondContact O-CB 3.5Å; N91-Y95 PolarHBondContact O-N 2.89Å
92L93.5Very high92.1Very high13 Ų1376.1 Ų76.17%0.06839%0.392CS..Hα-helixtrans-65.3-44.8176.3-178.260.4000111.2R62 W63 Y88 S89 R90 F94 Y95 M96 T108R62-L92 HydrophobicContact CG-CD2 3.99Å; W63-L92 HydrophobicContact CH2-CD1 3.96Å; W63-L92 HydrophobicContact CZ2-CD1 3.83Å; W63-L92 HydrophobicContact CZ2-CD2 4.19Å; Y88-L92 HydrophobicContact CE1-CD2 4.37Å; Y88-L92 WeakPolarHBondContact O-CB 3.31Å; Y88-L92 PolarHBondContact O-N 2.98Å; S89-L92 PolarHBondContact O-N 2.84Å; R90-L92 VanDerWaalsContact C-N 3.33Å; L92-F94 VanDerWaalsContact C-N 3.34Å; L92-F94 PolarHBondContact O-N 2.99Å; L92-Y95 WeakPolarHBondContact O-CB 3.46Å; L92-Y95 PolarHBondContact O-N 3.29Å; L92-M96 HydrophobicContact CD1-CE 3.97Å; L92-M96 HydrophobicContact CD2-CE 3.92Å; L92-M96 HydrophobicContact CG-CE 3.68Å; L92-M96 HydrophobicContact CG-SD 4.08Å; L92-M96 VanDerWaalsContact O-CG 3.28Å; L92-M96 WeakPolarHBondContact O-CG 3.34Å; L92-M96 PolarHBondContact O-N 2.98Å; L92-T108 HydrophobicContact CD2-CG2 3.94Å
93T90.9Very high91.5Very high85 Ų8577.7 Ų77.752%0.52142%0.416SS..Hα-helixtrans-61.7-41.7174.8-600000111.8S89 R90 Y95 M96 G97S89-T93 PolarHBondContact O-N 2.85Å; S89-T93 PolarHBondContact O-OG1 2.94Å; S89-T93 VanDerWaalsContact O-OG1 3.11Å; R90-T93 PolarHBondContact O-N 3.43Å; T93-Y95 VanDerWaalsContact C-N 3.33Å; T93-Y95 PolarHBondContact O-N 3.29Å; T93-M96 PolarHBondContact O-N 3.26Å; T93-G97 PolarHBondContact O-N 3.06Å
94F92.6Very high90.5Very high162 Ų16279.9 Ų79.971%0.71142%0.424SS*.Hα-helixtrans-62.2-42.2174.1-179.7-97.2000111.8R90 N91 L92 G97 S98R90-F94 PolarHBondContact O-N 3.31Å; N91-F94 PolarHBondContact O-N 2.65Å; L92-F94 VanDerWaalsContact C-N 3.34Å; L92-F94 PolarHBondContact O-N 2.99Å; F94-G97 PolarHBondContact O-N 3.48Å; F94-S98 PolarHBondContact O-N 3.41Å; F94-S98 VanDerWaalsContact O-N 3.13Å
95Y93.6Very high90Very high132 Ų13280.1 Ų80.152%0.51843%0.431SS..Hα-helixtrans-62.4-48176.5179-105.7000111.6N91 L92 T93 G97 S98 V99 L107N91-Y95 WeakPolarHBondContact O-CB 3.5Å; N91-Y95 PolarHBondContact O-N 2.89Å; L92-Y95 WeakPolarHBondContact O-CB 3.46Å; L92-Y95 PolarHBondContact O-N 3.29Å; T93-Y95 VanDerWaalsContact C-N 3.33Å; T93-Y95 PolarHBondContact O-N 3.29Å; Y95-G97 VanDerWaalsContact C-N 3.32Å; Y95-G97 PolarHBondContact O-N 3.28Å; Y95-S98 PolarHBondContact O-N 3.13Å; Y95-S98 PolarHBondContact O-OG 2.99Å; Y95-V99 HydrophobicContact CD1-CG2 4.18Å; Y95-V99 HydrophobicContact CD2-CG2 4.39Å; Y95-V99 HydrophobicContact CE1-CG2 3.71Å; Y95-V99 HydrophobicContact CE2-CG2 3.95Å; Y95-V99 HydrophobicContact CG-CG2 4.5Å; Y95-V99 WeakPolarHBondContact O-CG2 3.44Å; Y95-V99 PolarHBondContact O-N 3.19Å; Y95-L107 HydrophobicContact CD1-CD1 3.84Å; Y95-L107 HydrophobicContact CE1-CD1 3.67Å
96M92.2Very high89.5Confident22 Ų2282.1 Ų82.111%0.10844%0.442CS..Hα-helixtrans-53.6-47.7175.3-71.1160.9166.400111.6L92 T93 S98 V99 D100 D106 L107 T108L92-M96 HydrophobicContact CD1-CE 3.97Å; L92-M96 HydrophobicContact CD2-CE 3.92Å; L92-M96 HydrophobicContact CG-CE 3.68Å; L92-M96 HydrophobicContact CG-SD 4.08Å; L92-M96 VanDerWaalsContact O-CG 3.28Å; L92-M96 WeakPolarHBondContact O-CG 3.34Å; L92-M96 PolarHBondContact O-N 2.98Å; T93-M96 PolarHBondContact O-N 3.26Å; M96-S98 PolarHBondContact O-N 3.41Å; M96-V99 PolarHBondContact O-N 2.92Å; M96-V99 VanDerWaalsContact O-N 3.16Å; M96-D100 PolarHBondContact O-N 3.32Å; M96-D106 WeakPolarHBondContact CE-OD1 3.46Å; M96-L107 HydrophobicContact CE-CB 3.85Å; M96-L107 HydrophobicContact CG-CB 4.43Å; M96-L107 HydrophobicContact CG-CD1 3.97Å; M96-L107 HydrophobicContact CG-CG 4.08Å; M96-T108 HydrophobicContact CE-CG2 3.49Å; M96-T108 VanDerWaalsContact CE-CG2 3.49Å
97G90Very high89.1Confident44 Ų4479.5 Ų79.545%0.45443%0.431SS..Hα-helixtrans-67.7-18.1178.200000115T93 F94 Y95T93-G97 PolarHBondContact O-N 3.06Å; F94-G97 PolarHBondContact O-N 3.48Å; Y95-G97 VanDerWaalsContact C-N 3.32Å; Y95-G97 PolarHBondContact O-N 3.28Å
98S91.3Very high88.7Confident72 Ų7277.7 Ų77.750%0.50342%0.418SS..Hα-helixtrans-88-26.4172.867.70000113.7F94 Y95 M96F94-S98 PolarHBondContact O-N 3.41Å; F94-S98 VanDerWaalsContact O-N 3.13Å; Y95-S98 PolarHBondContact O-N 3.13Å; Y95-S98 PolarHBondContact O-OG 2.99Å; M96-S98 PolarHBondContact O-N 3.41Å
99V90.6Very high88.1Confident68 Ų6878.1 Ų78.141%0.41242%0.422SS..Hα-helixtrans-76.6-42.7175.2172.20000110.2Y95 M96 L105Y95-V99 HydrophobicContact CD1-CG2 4.18Å; Y95-V99 HydrophobicContact CD2-CG2 4.39Å; Y95-V99 HydrophobicContact CE1-CG2 3.71Å; Y95-V99 HydrophobicContact CE2-CG2 3.95Å; Y95-V99 HydrophobicContact CG-CG2 4.5Å; Y95-V99 WeakPolarHBondContact O-CG2 3.44Å; Y95-V99 PolarHBondContact O-N 3.19Å; M96-V99 PolarHBondContact O-N 2.92Å; M96-V99 VanDerWaalsContact O-N 3.16Å; V99-L105 HydrophobicContact CG1-CD2 4.24Å
100D86.9Confident87.5Confident30 Ų3081.6 Ų81.616%0.1644%0.439CS..  trans-127.297.3178.5-177.121.2000110.6M96 D102 G103 F104 L105M96-D100 PolarHBondContact O-N 3.32Å; D100-D102 PolarHBondContact O-N 3.28Å; D100-D102 PolarHBondContact OD1-N 3.26Å; D100-G103 PolarHBondContact O-N 3.31Å; D100-G103 VanDerWaalsContact O-N 3.17Å; D100-F104 WeakPolarHBondContact OD2-CA 3.44Å; D100-F104 PolarHBondContact OD2-N 3.37Å; D100-L105 HydrophobicContact CB-CB 3.79Å; D100-L105 WeakPolarHBondContact OD2-CB 3.45Å; D100-L105 PolarHBondContact OD2-N 3.44Å
101P81.5Confident86.8Confident111 Ų11179.8 Ų79.872%0.72144%0.439SS*.THydrogen-bonded Turntrans-60.1-24.1178.1-23.834.4000113.8G103P101-G103 VanDerWaalsContact C-N 3.32Å
102D80.9Confident86.3Confident121 Ų12181.3 Ų81.365%0.64744%0.443SS*.THydrogen-bonded Turntrans-83.5-11.7-177.1-62.4-33.1000112.2D100 F104D100-D102 PolarHBondContact O-N 3.28Å; D100-D102 PolarHBondContact OD1-N 3.26Å; D102-F104 VanDerWaalsContact C-N 3.32Å; D102-F104 HydrophobicContact CB-CD2 3.41Å; D102-F104 VanDerWaalsContact CB-CD2 3.41Å; D102-F104 HydrophobicContact CB-CE2 3.52Å; D102-F104 PolarHBondContact O-N 3.33Å
103G80.3Confident86Confident63 Ų6385.7 Ų85.765%0.64947%0.473SS*.SBendtrans74.317172.500000115D100 P101D100-G103 PolarHBondContact O-N 3.31Å; D100-G103 VanDerWaalsContact O-N 3.17Å; P101-G103 VanDerWaalsContact C-N 3.32Å
104F76Confident85.6Confident182 Ų18286.6 Ų86.680%0.79848%0.48SS*.  trans-86.9-19.4-179.7-63.2-64.2000113D100 D102D100-F104 WeakPolarHBondContact OD2-CA 3.44Å; D100-F104 PolarHBondContact OD2-N 3.37Å; D102-F104 VanDerWaalsContact C-N 3.32Å; D102-F104 HydrophobicContact CB-CD2 3.41Å; D102-F104 VanDerWaalsContact CB-CD2 3.41Å; D102-F104 HydrophobicContact CB-CE2 3.52Å; D102-F104 PolarHBondContact O-N 3.33Å
105L84.4Confident85.3Confident86 Ų8686.7 Ų86.745%0.4548%0.483SS..  trans-100.1106.5-175.8-17663.8000112.9V99 D100 L107V99-L105 HydrophobicContact CG1-CD2 4.24Å; D100-L105 HydrophobicContact CB-CB 3.79Å; D100-L105 WeakPolarHBondContact OD2-CB 3.45Å; D100-L105 PolarHBondContact OD2-N 3.44Å; L105-L107 HydrophobicContact CD2-CD2 3.83Å; L105-L107 HydrophobicContact CG-CD2 4.03Å
106D86Confident85.1Confident52 Ų5285.3 Ų85.328%0.27848%0.484SS..  trans-93.1110.9162.8-172.1-9.9000110.3M96 T108 Q109M96-D106 WeakPolarHBondContact CE-OD1 3.46Å; D106-T108 VanDerWaalsContact CG-OG1 3.31Å; D106-T108 PolarHBondContact O-N 3.08Å; D106-T108 WeakPolarHBondContact OD1-CB 3.34Å; D106-T108 PolarHBondContact OD1-N 3.45Å; D106-T108 PolarHBondContact OD1-OG1 2.82Å; D106-T108 PolarHBondContact OD2-OG1 2.84Å; D106-Q109 HydrophobicContact CB-CB 4.44Å; D106-Q109 HydrophobicContact CB-CG 4Å; D106-Q109 PolarHBondContact O-N 2.81Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.43Å; D106-Q109 PolarHBondContact OD2-NE2 2.84Å
107L86.9Confident85Confident53 Ų5390.3 Ų90.328%0.27751%0.511SS..THydrogen-bonded Turntrans-64.4-16.7178-58.5174.9000113.5W63 Y95 M96 L105W63-L107 HydrophobicContact CH2-CB 4.36Å; W63-L107 HydrophobicContact CZ3-CB 4.28Å; W63-L107 WeakPolarHBondContact CZ3-O 3.46Å; Y95-L107 HydrophobicContact CD1-CD1 3.84Å; Y95-L107 HydrophobicContact CE1-CD1 3.67Å; M96-L107 HydrophobicContact CE-CB 3.85Å; M96-L107 HydrophobicContact CG-CB 4.43Å; M96-L107 HydrophobicContact CG-CD1 3.97Å; M96-L107 HydrophobicContact CG-CG 4.08Å; L105-L107 HydrophobicContact CD2-CD2 3.83Å; L105-L107 HydrophobicContact CG-CD2 4.03Å
108T85.9Confident85.1Confident10 Ų1093.5 Ų93.56%0.06151%0.51CS..THydrogen-bonded Turntrans-89.2-4.8-177.959.60000113.7W63 L92 M96 D106W63-T108 HydrophobicContact CD2-CG2 4.27Å; W63-T108 HydrophobicContact CE3-CG2 3.6Å; W63-T108 HydrophobicContact CH2-CG2 4.35Å; W63-T108 HydrophobicContact CZ3-CG2 3.66Å; L92-T108 HydrophobicContact CD2-CG2 3.94Å; M96-T108 HydrophobicContact CE-CG2 3.49Å; M96-T108 VanDerWaalsContact CE-CG2 3.49Å; D106-T108 VanDerWaalsContact CG-OG1 3.31Å; D106-T108 PolarHBondContact O-N 3.08Å; D106-T108 WeakPolarHBondContact OD1-CB 3.34Å; D106-T108 PolarHBondContact OD1-N 3.45Å; D106-T108 PolarHBondContact OD1-OG1 2.82Å; D106-T108 PolarHBondContact OD2-OG1 2.84Å
109Q83.7Confident85.2Confident55 Ų5590.9 Ų90.926%0.25749%0.491SS..SBendtrans-104.1167.8-179.9-61.9-178.519.300111.7D106 M111D106-Q109 HydrophobicContact CB-CB 4.44Å; D106-Q109 HydrophobicContact CB-CG 4Å; D106-Q109 PolarHBondContact O-N 2.81Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.43Å; D106-Q109 PolarHBondContact OD2-NE2 2.84Å; Q109-M111 VanDerWaalsContact C-N 3.35Å; Q109-M111 PolarHBondContact O-N 3.27Å
110N80.5Confident85.4Confident90 Ų9095.3 Ų95.348%0.48150%0.5SS..  trans56.237175.1-58.4-71.5000115.9Q112 E154N110-Q112 PolarHBondContact O-N 3.45Å; N110-E154 WeakPolarHBondContact CA-OE2 2.94Å; N110-E154 PolarHBondContact N-OE2 3.31Å; N110-E154 PolarHBondContact OD1-OE1 3.29Å; N110-E154 PolarHBondContact OD1-OE2 2.94Å
111M80.8Confident85.7Confident130 Ų13093.9 Ų93.964%0.6449%0.492SS*.  trans-64.3-20177.9-71.9-67.2-154.600114.1W63 Q109W63-M111 HydrophobicContact CE3-CE 3.64Å; W63-M111 HydrophobicContact CZ3-CE 4.19Å; Q109-M111 VanDerWaalsContact C-N 3.35Å; Q109-M111 PolarHBondContact O-N 3.27Å
112Q83.5Confident86.4Confident127 Ų12792.9 Ų92.959%0.59348%0.477SS*.SBendtrans-110.9144.6176.8-69.2-176.8-21.400110.1N110 R150N110-Q112 PolarHBondContact O-N 3.45Å; Q112-R150 PolarHBondContact O-NH2 3.41Å
113P86.8Confident87.1Confident105 Ų10587.2 Ų87.268%0.68245%0.446SS*.  trans-56.4141.7178.324-33.5000111.5E115 R150P113-E115 PolarHBondContact O-N 3.2Å; P113-R150 PolarHBondContact O-NH1 2.94Å; P113-R150 VanDerWaalsContact O-NH1 3.13Å; P113-R150 PolarHBondContact O-NH2 3.03Å
114P83.6Confident87.7Confident104 Ų10488.1 Ų88.168%0.67544%0.436SS*.  trans-73121.9177.328.2-32.5000110.5
115E86.1Confident88.4Confident164 Ų16485.2 Ų85.277%0.76643%0.425SS*.  trans-89.8-46.7172.5-64.9-173.9172.200111.4P113P113-E115 PolarHBondContact O-N 3.2Å
116N89.6Confident88.7Confident103 Ų10388.5 Ų88.555%0.55144%0.438SS*.  trans-138.1146.4-175.6-64.7-58.5000110.5Y118N116-Y118 WeakPolarHBondContact CB-O 3.42Å
117L90.5Very high88.9Confident127 Ų12791.3 Ų91.367%0.66545%0.445SS*.SBendtrans-68.7-37.6176.2-179.963.7000112.2R150L117-R150 PolarHBondContact O-N 3.37Å
118Y91.6Very high89.1Confident110 Ų11090.1 Ų90.143%0.43145%0.446SS..EExtended strand (participates in β ladder)trans-114.4142.6175.6-70.6-97.8000109.9N116 F147 P149N116-Y118 WeakPolarHBondContact CB-O 3.42Å; Y118-F147 HydrophobicContact CD1-CD1 4.07Å; Y118-F147 AromaticContact CD1-CE1 3.87Å; Y118-F147 HydrophobicContact CD1-CE1 3.87Å; Y118-F147 HydrophobicContact CG-CD1 4.38Å; Y118-F147 AromaticContact CG-CE1 3.74Å; Y118-F147 HydrophobicContact CG-CE1 3.74Å; Y118-F147 HydrophobicContact CG-CZ 4.04Å; Y118-P149 HydrophobicContact CD1-CG 4.09Å; Y118-P149 HydrophobicContact CE1-CB 4.39Å; Y118-P149 HydrophobicContact CE1-CG 3.62Å
119V92.9Very high89.3Confident18 Ų1895 Ų9511%0.10947%0.472CS..EExtended strand (participates in β ladder)trans-129.6147-177.1-70.30000110V121 F147 I148 R150 C153 Y164V119-V121 HydrophobicContact CG2-CG1 3.95Å; V119-F147 WeakPolarHBondContact O-CA 3.47Å; V119-F147 WeakPolarHBondContact O-CD2 3.29Å; V119-I148 WeakPolarHBondContact CG2-O 3.44Å; V119-I148 PolarHBondContact N-O 3.01Å; V119-I148 PolarHBondContact O-N 2.61Å; V119-I148 VanDerWaalsContact O-N 3.13Å; V119-R150 HydrophobicContact CG1-CB 4.14Å; V119-R150 HydrophobicContact CG1-CG 4.37Å; V119-R150 HydrophobicContact CG2-CB 4.17Å; V119-C153 WeakPolarHBondContact CG2-SG 3.47Å; V119-Y164 HydrophobicContact CB-CD1 4.17Å; V119-Y164 HydrophobicContact CB-CE1 4.05Å; V119-Y164 HydrophobicContact CG1-CD1 4.35Å; V119-Y164 HydrophobicContact CG1-CE1 3.99Å; V119-Y164 HydrophobicContact CG2-CD1 4.43Å; V119-Y164 HydrophobicContact CG2-CE1 3.98Å
120R94.6Very high89.7Confident161 Ų16193.6 Ų93.661%0.60847%0.465SS*.EExtended strand (participates in β ladder)trans-90.4123171.4-164.7-174.1-72.9179.7-2.3108.1V145 H146 F147 L165R120-V145 HydrophobicContact CG-CG1 3.5Å; R120-V145 VanDerWaalsContact CG-CG1 3.5Å; R120-H146 WeakPolarHBondContact CA-O 3.43Å; R120-F147 HydrophobicContact CB-CD2 4.33Å; R120-L165 HydrophobicContact CB-CB 4.47Å; R120-L165 HydrophobicContact CB-CD1 4.45Å; R120-L165 HydrophobicContact CG-CB 4.49Å; R120-L165 HydrophobicContact CG-CD1 3.67Å; R120-L165 PolarHBondContact O-N 3.5Å; R120-L165 VanDerWaalsContact O-N 3.15Å
121V94.2Very high90.2Very high0 Ų094.8 Ų94.80%047%0.471CS..EExtended strand (participates in β ladder)trans-124.1144.5-176-65.80000110.4V119 V145 H146 I148 I157 L162 A163 Y164V119-V121 HydrophobicContact CG2-CG1 3.95Å; V121-V145 WeakPolarHBondContact O-CA 3.31Å; V121-H146 HydrophobicContact CG2-CB 4.29Å; V121-H146 PolarHBondContact N-O 3.29Å; V121-H146 PolarHBondContact O-N 3.18Å; V121-I148 HydrophobicContact CG2-CD1 3.97Å; V121-I148 HydrophobicContact CG2-CG1 4.22Å; V121-I157 HydrophobicContact CG1-CD1 4.07Å; V121-L162 HydrophobicContact CB-CB 4.47Å; V121-L162 HydrophobicContact CG2-CD1 4.15Å; V121-L162 HydrophobicContact CG2-CD2 4.47Å; V121-A163 CarbonylContact C-O 3.55Å; V121-A163 VanDerWaalsContact CA-O 3.29Å; V121-A163 WeakPolarHBondContact CA-O 3.48Å; V121-Y164 HydrophobicContact CG1-CD1 4.35Å
122K95.7Very high90.6Very high90 Ų9088.9 Ų88.939%0.39144%0.442SS..EExtended strand (participates in β ladder)trans-107.9134.6173.3-176.1178179.9-178.70109.7S144 V145 A163 L165K122-S144 WeakPolarHBondContact CA-O 3.34Å; K122-V145 HydrophobicContact CB-CG2 4.4Å; K122-V145 HydrophobicContact CG-CG2 4.33Å; K122-A163 PolarHBondContact N-O 3.35Å; K122-A163 PolarHBondContact O-N 2.79Å; K122-L165 HydrophobicContact CB-CD1 4.1Å; K122-L165 HydrophobicContact CB-CD2 4.15Å; K122-L165 HydrophobicContact CB-CG 3.96Å; K122-L165 HydrophobicContact CD-CD2 4.41Å
123C95.2Very high90.7Very high1 Ų191.1 Ų91.11%0.00745%0.452CS..EExtended strand (participates in β ladder)trans-80.5125.1176.2-1470000110.9E125 T141 G143 S144 L162C123-E125 PolarHBondContact SG-O 3.27Å; C123-T141 VanDerWaalsContact CB-O 3.29Å; C123-T141 WeakPolarHBondContact CB-O 3.36Å; C123-G143 WeakPolarHBondContact O-CA 3.45Å; C123-G143 PolarHBondContact O-N 3.42Å; C123-S144 PolarHBondContact N-O 2.95Å; C123-L162 HydrophobicContact CB-CD2 4.06Å
124L93.6Very high90.7Very high83 Ų8390.7 Ų90.744%0.43545%0.452SS..SBendtrans-90.7-34.5178.5-62.5-177.8000112K142 V161 A163L124-K142 WeakPolarHBondContact O-CE 3.14Å; L124-K142 WeakPolarHBondContact O-CG 3.29Å; L124-V161 PolarHBondContact N-O 2.96Å; L124-A163 HydrophobicContact CD1-CB 4.04Å; L124-A163 HydrophobicContact CD2-CB 4.32Å; L124-A163 HydrophobicContact CG-CB 4.19Å
125E89.8Confident91Very high120 Ų12088.2 Ų88.256%0.56145%0.446SS*.SBendtrans-121.6162.9-178.9-59.7-167.6158.500111C123C123-E125 PolarHBondContact SG-O 3.27Å
126E91.8Very high91.2Very high156 Ų15683.5 Ų83.573%0.72943%0.428SS*.  trans-85.1113.6175.3-173.3163.9-161.400108.8
127Y88.9Confident91.2Very high110 Ų11082.5 Ų82.543%0.43143%0.426SS..  trans-106.1-22.7-175.8-171.5-93.8000112.4F130 L140 L156 V161Y127-F130 HydrophobicContact CD1-CB 4.34Å; Y127-F130 HydrophobicContact CE1-CB 4.36Å; Y127-F130 HydrophobicContact CE1-CD2 4.16Å; Y127-L140 HydrophobicContact CD1-CD1 3.88Å; Y127-L140 HydrophobicContact CG-CD1 4.18Å; Y127-L140 PolarHBondContact N-O 3.41Å; Y127-L156 HydrophobicContact CD2-CD2 4.32Å; Y127-L156 HydrophobicContact CE1-CD2 4.33Å; Y127-L156 HydrophobicContact CE2-CD2 3.66Å; Y127-V161 HydrophobicContact CD2-CG1 3.83Å; Y127-V161 HydrophobicContact CD2-CG2 4.23Å; Y127-V161 HydrophobicContact CG-CG1 4.11Å
128G91.3Very high91.3Very high29 Ų2978.6 Ų78.630%0.29940%0.402SS..EExtended strand (participates in β ladder)trans86.7-143.2-175.100000111.7L140G128-L140 PolarHBondContact N-O 3.13Å; G128-L140 WeakPolarHBondContact O-CB 3.49Å; G128-L140 PolarHBondContact O-N 3.06Å
129D91.3Very high91.3Very high112 Ų11277 Ų7760%0.59940%0.404SS*.EExtended strand (participates in β ladder)trans-86.4115.9-176.2-67.6-31.4000111.5T137 T139D129-T137 HydrophobicContact CB-CG2 3.82Å; D129-T139 WeakPolarHBondContact OD1-CB 3.45Å; D129-T139 PolarHBondContact OD1-OG1 3.45Å
130F90.7Very high91.4Very high26 Ų2676.1 Ų76.111%0.11440%0.399CS..EExtended strand (participates in β ladder)trans-97.1118.3173.8176-109.3000110.2Y127 T137 Y138 L140 I148 E152 L156Y127-F130 HydrophobicContact CD1-CB 4.34Å; Y127-F130 HydrophobicContact CE1-CB 4.36Å; Y127-F130 HydrophobicContact CE1-CD2 4.16Å; F130-T137 CarbonylContact O-C 3.57Å; F130-T137 WeakPolarHBondContact O-CA 2.96Å; F130-Y138 HydrophobicContact CD1-CD2 4.1Å; F130-Y138 PolarHBondContact N-O 3.08Å; F130-Y138 PolarHBondContact O-N 3.01Å; F130-L140 HydrophobicContact CB-CD1 3.64Å; F130-L140 HydrophobicContact CB-CG 3.94Å; F130-L140 HydrophobicContact CG-CD1 4.2Å; F130-I148 HydrophobicContact CE1-CG2 4.39Å; F130-E152 HydrophobicContact CZ-CB 4.34Å; F130-L156 HydrophobicContact CD2-CD1 3.62Å; F130-L156 HydrophobicContact CE2-CD1 3.65Å; F130-L156 HydrophobicContact CE2-CG 4.31Å; F130-L156 HydrophobicContact CG-CD1 4.08Å; F130-L156 HydrophobicContact CZ-CD1 4.14Å
131L91.6Very high91.3Very high115 Ų11571.5 Ų71.560%0.60239%0.389SS*.EExtended strand (participates in β ladder)trans-95.2119.1176.9-177.266.4000110.1
132T88.6Confident91.3Very high5 Ų579 Ų793%0.03142%0.422CS..PPolyproline II helixtrans-78.2152.4174.6-94.90000111.2S134 G135 T136 Y138 E152T132-S134 VanDerWaalsContact CG2-N 3.33Å; T132-S134 PolarHBondContact O-N 3.18Å; T132-S134 VanDerWaalsContact O-N 3.16Å; T132-G135 WeakPolarHBondContact O-CA 2.94Å; T132-G135 PolarHBondContact O-N 3.28Å; T132-T136 WeakPolarHBondContact CB-O 3.49Å; T132-T136 PolarHBondContact N-O 3.38Å; T132-Y138 WeakPolarHBondContact OG1-CE2 2.88Å; T132-E152 WeakPolarHBondContact CA-OE2 3.5Å; T132-E152 WeakPolarHBondContact CB-OE2 3.41Å; T132-E152 VanDerWaalsContact CG2-CD 3.43Å; T132-E152 WeakPolarHBondContact CG2-OE1 3.34Å; T132-E152 WeakPolarHBondContact CG2-OE2 3.4Å; T132-E152 PolarHBondContact OG1-OE2 2.84Å
133E86.5Confident91.2Very high174 Ų17476.6 Ų76.681%0.81342%0.422SS*.THydrogen-bonded Turntrans-57.3-31177.6-65.6-170.6168.700112.5G135 E152E133-G135 PolarHBondContact O-N 2.91Å; E133-E152 PolarHBondContact N-OE2 2.93Å
134S86.4Confident91.2Very high96 Ų9677.7 Ų77.767%0.67143%0.429SS*.THydrogen-bonded Turntrans-72.31.5174.2-52.60000113.8T132 T136T132-S134 VanDerWaalsContact CG2-N 3.33Å; T132-S134 PolarHBondContact O-N 3.18Å; T132-S134 VanDerWaalsContact O-N 3.16Å; S134-T136 VanDerWaalsContact C-N 3.35Å
135G89.1Confident91.3Very high53 Ų5377.3 Ų77.355%0.54643%0.431SS..SBendtrans79.410.9-179.400000115T132 E133T132-G135 WeakPolarHBondContact O-CA 2.94Å; T132-G135 PolarHBondContact O-N 3.28Å; E133-G135 PolarHBondContact O-N 2.91Å
136T90.2Very high91.5Very high65 Ų6573.3 Ų73.340%0.39941%0.412SS..  trans-85.1130.8175.5-57.80000109.6T132 S134 Y138T132-T136 WeakPolarHBondContact CB-O 3.49Å; T132-T136 PolarHBondContact N-O 3.38Å; S134-T136 VanDerWaalsContact C-N 3.35Å; T136-Y138 HydrophobicContact CG2-CD2 4.3Å; T136-Y138 HydrophobicContact CG2-CE1 4.34Å; T136-Y138 HydrophobicContact CG2-CE2 3.76Å
137T91.4Very high91.6Very high82 Ų8271.5 Ų71.550%0.50340%0.402SS..EExtended strand (participates in β ladder)trans-99.8126.7176-49.70000110.3D129 F130D129-T137 HydrophobicContact CB-CG2 3.82Å; F130-T137 CarbonylContact O-C 3.57Å; F130-T137 WeakPolarHBondContact O-CA 2.96Å
138Y91.2Very high91.8Very high44 Ų4466.3 Ų66.317%0.17338%0.381CS..EExtended strand (participates in β ladder)trans-110.1118.3174.3-63.6-86000109.9F130 T132 T136 L140 H146 F147 I148F130-Y138 HydrophobicContact CD1-CD2 4.1Å; F130-Y138 PolarHBondContact N-O 3.08Å; F130-Y138 PolarHBondContact O-N 3.01Å; T132-Y138 WeakPolarHBondContact OG1-CE2 2.88Å; T136-Y138 HydrophobicContact CG2-CD2 4.3Å; T136-Y138 HydrophobicContact CG2-CE1 4.34Å; T136-Y138 HydrophobicContact CG2-CE2 3.76Å; Y138-L140 PolarHBondContact O-N 3.21Å; Y138-H146 HydrophobicContact CD1-CB 4.33Å; Y138-H146 AromaticContact CD1-ND1 3.99Å; Y138-F147 PolarHBondContact OH-O 3.19Å; Y138-I148 HydrophobicContact CD1-CD1 4.39Å; Y138-I148 HydrophobicContact CD1-CG1 4.21Å; Y138-I148 HydrophobicContact CD2-CD1 4.27Å; Y138-I148 HydrophobicContact CD2-CG1 4.35Å; Y138-I148 HydrophobicContact CE1-CG1 4Å; Y138-I148 HydrophobicContact CE2-CG1 4.16Å; Y138-I148 HydrophobicContact CE2-CG2 4.34Å; Y138-I148 HydrophobicContact CG-CD1 4.17Å; Y138-I148 HydrophobicContact CG-CG1 4.37Å
139T93Very high91.8Very high77 Ų7765.3 Ų65.347%0.47237%0.369SS..EExtended strand (participates in β ladder)trans-81.7102.5172.9-53.60000109.6D129 T141 H146D129-T139 WeakPolarHBondContact OD1-CB 3.45Å; D129-T139 PolarHBondContact OD1-OG1 3.45Å; T139-T141 HydrophobicContact CG2-CG2 4.22Å; T139-T141 PolarHBondContact O-N 3.35Å; T139-H146 PolarHBondContact O-CE1 2.84Å; T139-H146 VanDerWaalsContact O-CE1 3.3Å; T139-H146 PolarHBondContact O-NE2 2.93Å
140L93.2Very high91.8Very high0 Ų060.9 Ų60.90%035%0.345CS..EExtended strand (participates in β ladder)trans-85.695.6-177-65.2-172.7000110.4Y127 G128 F130 Y138 H146 I148 L156 L162Y127-L140 HydrophobicContact CD1-CD1 3.88Å; Y127-L140 HydrophobicContact CG-CD1 4.18Å; Y127-L140 PolarHBondContact N-O 3.41Å; G128-L140 PolarHBondContact N-O 3.13Å; G128-L140 WeakPolarHBondContact O-CB 3.49Å; G128-L140 PolarHBondContact O-N 3.06Å; F130-L140 HydrophobicContact CB-CD1 3.64Å; F130-L140 HydrophobicContact CB-CG 3.94Å; F130-L140 HydrophobicContact CG-CD1 4.2Å; Y138-L140 PolarHBondContact O-N 3.21Å; L140-H146 WeakPolarHBondContact CD2-CD2 3.33Å; L140-I148 HydrophobicContact CD2-CD1 4.49Å; L140-L156 HydrophobicContact CD1-CD1 3.96Å; L140-L162 HydrophobicContact CD1-CD2 4.27Å; L140-L162 HydrophobicContact CD2-CD2 4.32Å
141T93.9Very high91.7Very high64 Ų6463.7 Ų63.739%0.39336%0.358SS..  trans-101.9148.8175.553.30000110.4C123 T139 G143 S144C123-T141 VanDerWaalsContact CB-O 3.29Å; C123-T141 WeakPolarHBondContact CB-O 3.36Å; T139-T141 HydrophobicContact CG2-CG2 4.22Å; T139-T141 PolarHBondContact O-N 3.35Å; T141-G143 PolarHBondContact O-N 3.23Å; T141-G143 VanDerWaalsContact O-N 3.09Å; T141-S144 PolarHBondContact N-OG 3.3Å; T141-S144 WeakPolarHBondContact O-CB 3.44Å; T141-S144 PolarHBondContact O-N 2.98Å; T141-S144 PolarHBondContact O-OG 2.98Å; T141-S144 WeakPolarHBondContact OG1-CB 3.49Å
142K94.8Very high91.5Very high158 Ų15859 Ų5969%0.68733%0.333SS*.THydrogen-bonded Turntrans-56.6121-178-179.3168.7-175.7172.90111.6L124L124-K142 WeakPolarHBondContact O-CE 3.14Å; L124-K142 WeakPolarHBondContact O-CG 3.29Å
143G92.8Very high91.6Very high38 Ų3858.8 Ų58.839%0.39233%0.331SS..THydrogen-bonded Turntrans86.7-3.7-179.400000115.6C123 T141C123-G143 WeakPolarHBondContact O-CA 3.45Å; C123-G143 PolarHBondContact O-N 3.42Å; T141-G143 PolarHBondContact O-N 3.23Å; T141-G143 VanDerWaalsContact O-N 3.09Å
144S94.7Very high91.6Very high24 Ų2451.1 Ų51.117%0.16830%0.295CS..  trans-67.8155.5172.467.20000111.5K122 C123 T141 H146K122-S144 WeakPolarHBondContact CA-O 3.34Å; C123-S144 PolarHBondContact N-O 2.95Å; T141-S144 PolarHBondContact N-OG 3.3Å; T141-S144 WeakPolarHBondContact O-CB 3.44Å; T141-S144 PolarHBondContact O-N 2.98Å; T141-S144 PolarHBondContact O-OG 2.98Å; T141-S144 WeakPolarHBondContact OG1-CB 3.49Å; S144-H146 WeakPolarHBondContact CB-NE2 3.4Å; S144-H146 PolarHBondContact OG-CD2 3.15Å; S144-H146 PolarHBondContact OG-NE2 2.92Å
145V95.4Very high91.6Very high76 Ų7649.5 Ų49.546%0.46128%0.281SS..EExtended strand (participates in β ladder)trans-120.9127.8179.6177.10000108.6R120 V121 K122 L165R120-V145 HydrophobicContact CG-CG1 3.5Å; R120-V145 VanDerWaalsContact CG-CG1 3.5Å; V121-V145 WeakPolarHBondContact O-CA 3.31Å; K122-V145 HydrophobicContact CB-CG2 4.4Å; K122-V145 HydrophobicContact CG-CG2 4.33Å; V145-L165 HydrophobicContact CB-CD1 4.25Å; V145-L165 HydrophobicContact CG1-CD1 3.39Å; V145-L165 HydrophobicContact CG2-CD1 3.84Å
146H94.3Very high91.6Very high36 Ų3647.2 Ų47.217%0.16726%0.257CS..EExtended strand (participates in β ladder)trans-126.2156.8-178.3-60.2-80.6000110.9R120 V121 Y138 T139 L140 S144 I148R120-H146 WeakPolarHBondContact CA-O 3.43Å; V121-H146 HydrophobicContact CG2-CB 4.29Å; V121-H146 PolarHBondContact N-O 3.29Å; V121-H146 PolarHBondContact O-N 3.18Å; Y138-H146 HydrophobicContact CD1-CB 4.33Å; Y138-H146 AromaticContact CD1-ND1 3.99Å; T139-H146 PolarHBondContact O-CE1 2.84Å; T139-H146 VanDerWaalsContact O-CE1 3.3Å; T139-H146 PolarHBondContact O-NE2 2.93Å; L140-H146 WeakPolarHBondContact CD2-CD2 3.33Å; S144-H146 WeakPolarHBondContact CB-NE2 3.4Å; S144-H146 PolarHBondContact OG-CD2 3.15Å; S144-H146 PolarHBondContact OG-NE2 2.92Å; H146-I148 HydrophobicContact CB-CD1 3.83Å; H146-I148 HydrophobicContact CB-CG1 3.83Å
147F94.1Very high91.6Very high118 Ų11845.6 Ų45.652%0.51825%0.245SC..EExtended strand (participates in β ladder)trans-115.1105174.1-167.5-114.1000107.8Y118 V119 R120 Y138Y118-F147 HydrophobicContact CD1-CD1 4.07Å; Y118-F147 AromaticContact CD1-CE1 3.87Å; Y118-F147 HydrophobicContact CD1-CE1 3.87Å; Y118-F147 HydrophobicContact CG-CD1 4.38Å; Y118-F147 AromaticContact CG-CE1 3.74Å; Y118-F147 HydrophobicContact CG-CE1 3.74Å; Y118-F147 HydrophobicContact CG-CZ 4.04Å; V119-F147 WeakPolarHBondContact O-CA 3.47Å; V119-F147 WeakPolarHBondContact O-CD2 3.29Å; R120-F147 HydrophobicContact CB-CD2 4.33Å; Y138-F147 PolarHBondContact OH-O 3.19Å
148I92.8Very high91.3Very high0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans-126.7146.5-167.7-53.9-178.3000108.2V119 V121 F130 Y138 L140 H146 E152 C153V119-I148 WeakPolarHBondContact CG2-O 3.44Å; V119-I148 PolarHBondContact N-O 3.01Å; V119-I148 PolarHBondContact O-N 2.61Å; V119-I148 VanDerWaalsContact O-N 3.13Å; V121-I148 HydrophobicContact CG2-CD1 3.97Å; V121-I148 HydrophobicContact CG2-CG1 4.22Å; F130-I148 HydrophobicContact CE1-CG2 4.39Å; Y138-I148 HydrophobicContact CD1-CD1 4.39Å; Y138-I148 HydrophobicContact CD1-CG1 4.21Å; Y138-I148 HydrophobicContact CD2-CD1 4.27Å; Y138-I148 HydrophobicContact CD2-CG1 4.35Å; Y138-I148 HydrophobicContact CE1-CG1 4Å; Y138-I148 HydrophobicContact CE2-CG1 4.16Å; Y138-I148 HydrophobicContact CE2-CG2 4.34Å; Y138-I148 HydrophobicContact CG-CD1 4.17Å; Y138-I148 HydrophobicContact CG-CG1 4.37Å; L140-I148 HydrophobicContact CD2-CD1 4.49Å; H146-I148 HydrophobicContact CB-CD1 3.83Å; H146-I148 HydrophobicContact CB-CG1 3.83Å; I148-E152 HydrophobicContact CG2-CB 4.42Å; I148-C153 HydrophobicContact CB-CB 4.38Å; I148-C153 HydrophobicContact CG2-CB 4.08Å
149P92.3Very high91Very high8 Ų846.8 Ų46.85%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-55.1137.4168.1-23.232.6000111.6Y118 H151 E152 C153Y118-P149 HydrophobicContact CD1-CG 4.09Å; Y118-P149 HydrophobicContact CE1-CB 4.39Å; Y118-P149 HydrophobicContact CE1-CG 3.62Å; P149-H151 VanDerWaalsContact CB-CE1 3.45Å; P149-H151 WeakPolarHBondContact CB-CE1 3.42Å; P149-H151 PolarHBondContact O-N 2.98Å; P149-E152 HydrophobicContact CB-CG 4.26Å; P149-E152 PolarHBondContact O-N 2.92Å; P149-C153 PolarHBondContact O-N 3.17Å
150R90.1Very high90.7Very high20 Ų2044.8 Ų44.88%0.07524%0.244CC..Hα-helixtrans-59.5-45.7-174.7-179.9170.2167.5172.4-13.7112.8Q112 P113 L117 V119 E152 C153 E154Q112-R150 PolarHBondContact O-NH2 3.41Å; P113-R150 PolarHBondContact O-NH1 2.94Å; P113-R150 VanDerWaalsContact O-NH1 3.13Å; P113-R150 PolarHBondContact O-NH2 3.03Å; L117-R150 PolarHBondContact O-N 3.37Å; V119-R150 HydrophobicContact CG1-CB 4.14Å; V119-R150 HydrophobicContact CG1-CG 4.37Å; V119-R150 HydrophobicContact CG2-CB 4.17Å; R150-E152 PolarHBondContact O-N 2.86Å; R150-C153 PolarHBondContact O-N 2.84Å; R150-C153 PolarHBondContact O-SG 2.9Å; R150-E154 HydrophobicContact CG-CG 4.17Å; R150-E154 IonicContact CZ-OE1 2.97Å; R150-E154 IonicContact NE-OE1 2.87Å; R150-E154 PolarHBondContact NE-OE1 3.13Å; R150-E154 IonicContact NH2-OE1 3.38Å; R150-E154 PolarHBondContact NH2-OE1 2.92Å; R150-E154 PolarHBondContact O-N 3.22Å; R150-E154 VanDerWaalsContact O-N 3.08Å
151H88.3Confident90.6Very high85 Ų8545.3 Ų45.339%0.39425%0.247SC..Hα-helixtrans-57.5-33.1-177.467.6-81.9000112.9P149P149-H151 VanDerWaalsContact CB-CE1 3.45Å; P149-H151 WeakPolarHBondContact CB-CE1 3.42Å; P149-H151 PolarHBondContact O-N 2.98Å
152E89.2Confident90.5Very high16 Ų1642.5 Ų42.58%0.07523%0.229CC..Hα-helixtrans-82.8-32.4-178.4-55.2-167.2-134.600112.9F130 T132 E133 I148 P149 R150F130-E152 HydrophobicContact CZ-CB 4.34Å; T132-E152 WeakPolarHBondContact CA-OE2 3.5Å; T132-E152 WeakPolarHBondContact CB-OE2 3.41Å; T132-E152 VanDerWaalsContact CG2-CD 3.43Å; T132-E152 WeakPolarHBondContact CG2-OE1 3.34Å; T132-E152 WeakPolarHBondContact CG2-OE2 3.4Å; T132-E152 PolarHBondContact OG1-OE2 2.84Å; E133-E152 PolarHBondContact N-OE2 2.93Å; I148-E152 HydrophobicContact CG2-CB 4.42Å; P149-E152 HydrophobicContact CB-CG 4.26Å; P149-E152 PolarHBondContact O-N 2.92Å; R150-E152 PolarHBondContact O-N 2.86Å
153C89.7Confident90.5Very high0 Ų036.5 Ų36.50%021%0.209CC..Hα-helixtrans-85.8-18.1-178.173.10000113.6V119 I148 P149 R150 V155 L156 I157 L162V119-C153 WeakPolarHBondContact CG2-SG 3.47Å; I148-C153 HydrophobicContact CB-CB 4.38Å; I148-C153 HydrophobicContact CG2-CB 4.08Å; P149-C153 PolarHBondContact O-N 3.17Å; R150-C153 PolarHBondContact O-N 2.84Å; R150-C153 PolarHBondContact O-SG 2.9Å; C153-V155 VanDerWaalsContact C-N 3.28Å; C153-V155 PolarHBondContact O-N 3.27Å; C153-L156 PolarHBondContact O-N 3.34Å; C153-I157 HydrophobicContact CB-CD1 4.33Å; C153-I157 WeakPolarHBondContact O-CG1 3.39Å; C153-I157 PolarHBondContact O-N 3.16Å; C153-L162 HydrophobicContact CB-CD1 4.04Å
154E87.2Confident90.4Very high13 Ų1338.8 Ų38.86%0.06121%0.207CC..Hα-helixtrans-55.1-41.6-175.5-93.6-171.8179.900112.5N110 R150 L156 I157 L158N110-E154 WeakPolarHBondContact CA-OE2 2.94Å; N110-E154 PolarHBondContact N-OE2 3.31Å; N110-E154 PolarHBondContact OD1-OE1 3.29Å; N110-E154 PolarHBondContact OD1-OE2 2.94Å; R150-E154 HydrophobicContact CG-CG 4.17Å; R150-E154 IonicContact CZ-OE1 2.97Å; R150-E154 IonicContact NE-OE1 2.87Å; R150-E154 PolarHBondContact NE-OE1 3.13Å; R150-E154 IonicContact NH2-OE1 3.38Å; R150-E154 PolarHBondContact NH2-OE1 2.92Å; R150-E154 PolarHBondContact O-N 3.22Å; R150-E154 VanDerWaalsContact O-N 3.08Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 2.83Å; E154-I157 PolarHBondContact O-N 3.24Å; E154-L158 WeakPolarHBondContact O-CG 3.38Å; E154-L158 PolarHBondContact O-N 2.81Å
155V86.4Confident90.1Very high62 Ų6244.5 Ų44.538%0.37623%0.234SC..Hα-helixtrans-60.4-44178.6-179.90000111.5C153 I157 L158 Q159C153-V155 VanDerWaalsContact C-N 3.28Å; C153-V155 PolarHBondContact O-N 3.27Å; V155-I157 VanDerWaalsContact C-N 3.33Å; V155-L158 PolarHBondContact O-N 2.7Å; V155-Q159 VanDerWaalsContact O-CG 3.31Å; V155-Q159 WeakPolarHBondContact O-CG 3.39Å; V155-Q159 PolarHBondContact O-N 3.3Å; V155-Q159 VanDerWaalsContact O-N 3.13Å
156L88.8Confident89.9Confident5 Ų542.9 Ų42.93%0.02622%0.223CC..Hα-helixtrans-72.3-28.6179.6-65-178.5000112.5Y127 F130 L140 C153 E154 G160 V161 L162Y127-L156 HydrophobicContact CD2-CD2 4.32Å; Y127-L156 HydrophobicContact CE1-CD2 4.33Å; Y127-L156 HydrophobicContact CE2-CD2 3.66Å; F130-L156 HydrophobicContact CD2-CD1 3.62Å; F130-L156 HydrophobicContact CE2-CD1 3.65Å; F130-L156 HydrophobicContact CE2-CG 4.31Å; F130-L156 HydrophobicContact CG-CD1 4.08Å; F130-L156 HydrophobicContact CZ-CD1 4.14Å; L140-L156 HydrophobicContact CD1-CD1 3.96Å; C153-L156 PolarHBondContact O-N 3.34Å; E154-L156 VanDerWaalsContact C-N 3.34Å; E154-L156 PolarHBondContact O-N 2.83Å; L156-G160 PolarHBondContact O-N 2.8Å; L156-V161 HydrophobicContact CB-CB 4.4Å; L156-V161 PolarHBondContact O-N 3.3Å; L156-L162 HydrophobicContact CB-CB 4.41Å; L156-L162 HydrophobicContact CB-CD1 3.71Å; L156-L162 HydrophobicContact CB-CG 3.88Å; L156-L162 HydrophobicContact CD1-CD1 3.8Å; L156-L162 HydrophobicContact CD1-CG 4.35Å; L156-L162 HydrophobicContact CG-CD1 4.42Å; L156-L162 PolarHBondContact O-N 3.09Å
157I89.6Confident89.6Confident31 Ų3143.3 Ų43.316%0.15923%0.226CC..Hα-helixtrans-70-42.9174.1-65.9171.9000110.3V121 C153 E154 V155 Q159 G160 L162 Y164V121-I157 HydrophobicContact CG1-CD1 4.07Å; C153-I157 HydrophobicContact CB-CD1 4.33Å; C153-I157 WeakPolarHBondContact O-CG1 3.39Å; C153-I157 PolarHBondContact O-N 3.16Å; E154-I157 PolarHBondContact O-N 3.24Å; V155-I157 VanDerWaalsContact C-N 3.33Å; I157-Q159 VanDerWaalsContact C-N 3.25Å; I157-Q159 PolarHBondContact O-N 3.2Å; I157-G160 PolarHBondContact O-N 2.83Å; I157-L162 WeakPolarHBondContact CA-O 3.46Å; I157-L162 HydrophobicContact CG1-CB 3.67Å; I157-Y164 HydrophobicContact CD1-CD1 3.95Å; I157-Y164 HydrophobicContact CD1-CD2 4.14Å; I157-Y164 HydrophobicContact CD1-CE1 3.42Å; I157-Y164 VanDerWaalsContact CD1-CE1 3.42Å; I157-Y164 HydrophobicContact CD1-CE2 3.65Å; I157-Y164 HydrophobicContact CD1-CG 4.28Å; I157-Y164 HydrophobicContact CG2-CD2 4.18Å; I157-Y164 HydrophobicContact CG2-CE2 3.8Å
158L84.8Confident89.4Confident74 Ų7439.1 Ų39.139%0.38721%0.21SC..Hα-helixtrans-64.5-30.7176-67.5174.7000112.7T64 E154 V155 G160T64-L158 WeakPolarHBondContact O-CD2 3.47Å; E154-L158 WeakPolarHBondContact O-CG 3.38Å; E154-L158 PolarHBondContact O-N 2.81Å; V155-L158 PolarHBondContact O-N 2.7Å; L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 3.32Å
159Q85.4Confident89.2Confident77 Ų7741.4 Ų41.436%0.3622%0.222SC..THydrogen-bonded Turntrans-76.5-11.3173.8-70.8174-4.100113.6V155 I157 V161V155-Q159 VanDerWaalsContact O-CG 3.31Å; V155-Q159 WeakPolarHBondContact O-CG 3.39Å; V155-Q159 PolarHBondContact O-N 3.3Å; V155-Q159 VanDerWaalsContact O-N 3.13Å; I157-Q159 VanDerWaalsContact C-N 3.25Å; I157-Q159 PolarHBondContact O-N 3.2Å; Q159-V161 HydrophobicContact CB-CG2 4.19Å
160G87.2Confident89Confident36 Ų3643.5 Ų43.537%0.37123%0.233SC..THydrogen-bonded Turntrans81.89.7-178.200000114.9L156 I157 L158L156-G160 PolarHBondContact O-N 2.8Å; I157-G160 PolarHBondContact O-N 2.83Å; L158-G160 VanDerWaalsContact C-N 3.27Å; L158-G160 PolarHBondContact O-N 3.32Å
161V90.3Very high88.9Confident11 Ų1145.1 Ų45.17%0.06724%0.243CC..SBendtrans-76.4-39.6177.6179.40000110.8L124 Y127 L156 Q159L124-V161 PolarHBondContact N-O 2.96Å; Y127-V161 HydrophobicContact CD2-CG1 3.83Å; Y127-V161 HydrophobicContact CD2-CG2 4.23Å; Y127-V161 HydrophobicContact CG-CG1 4.11Å; L156-V161 HydrophobicContact CB-CB 4.4Å; L156-V161 PolarHBondContact O-N 3.3Å; Q159-V161 HydrophobicContact CB-CG2 4.19Å
162L93.2Very high89Confident4 Ų442.2 Ų42.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-114.7148.2-179.9-63.5-178.7000110.8V121 C123 L140 C153 L156 I157V121-L162 HydrophobicContact CB-CB 4.47Å; V121-L162 HydrophobicContact CG2-CD1 4.15Å; V121-L162 HydrophobicContact CG2-CD2 4.47Å; C123-L162 HydrophobicContact CB-CD2 4.06Å; L140-L162 HydrophobicContact CD1-CD2 4.27Å; L140-L162 HydrophobicContact CD2-CD2 4.32Å; C153-L162 HydrophobicContact CB-CD1 4.04Å; L156-L162 HydrophobicContact CB-CB 4.41Å; L156-L162 HydrophobicContact CB-CD1 3.71Å; L156-L162 HydrophobicContact CB-CG 3.88Å; L156-L162 HydrophobicContact CD1-CD1 3.8Å; L156-L162 HydrophobicContact CD1-CG 4.35Å; L156-L162 HydrophobicContact CG-CD1 4.42Å; L156-L162 PolarHBondContact O-N 3.09Å; I157-L162 WeakPolarHBondContact CA-O 3.46Å; I157-L162 HydrophobicContact CG1-CB 3.67Å
163A93Very high88.9Confident32 Ų3244.2 Ų44.226%0.26425%0.245SC..EExtended strand (participates in β ladder)trans-126.2142170.500000110.8V121 K122 L124V121-A163 CarbonylContact C-O 3.55Å; V121-A163 VanDerWaalsContact CA-O 3.29Å; V121-A163 WeakPolarHBondContact CA-O 3.48Å; K122-A163 PolarHBondContact N-O 3.35Å; K122-A163 PolarHBondContact O-N 2.79Å; L124-A163 HydrophobicContact CD1-CB 4.04Å; L124-A163 HydrophobicContact CD2-CB 4.32Å; L124-A163 HydrophobicContact CG-CB 4.19Å
164Y91.5Very high88.9Confident87 Ų8747.9 Ų47.934%0.34127%0.265SS..EExtended strand (participates in β ladder)trans-61.9141.2167.8-64.9-69.4000110.1V119 V121 I157V119-Y164 HydrophobicContact CB-CD1 4.17Å; V119-Y164 HydrophobicContact CB-CE1 4.05Å; V119-Y164 HydrophobicContact CG1-CD1 4.35Å; V119-Y164 HydrophobicContact CG1-CE1 3.99Å; V119-Y164 HydrophobicContact CG2-CD1 4.43Å; V119-Y164 HydrophobicContact CG2-CE1 3.98Å; V121-Y164 HydrophobicContact CG1-CD1 4.35Å; I157-Y164 HydrophobicContact CD1-CD1 3.95Å; I157-Y164 HydrophobicContact CD1-CD2 4.14Å; I157-Y164 HydrophobicContact CD1-CE1 3.42Å; I157-Y164 VanDerWaalsContact CD1-CE1 3.42Å; I157-Y164 HydrophobicContact CD1-CE2 3.65Å; I157-Y164 HydrophobicContact CD1-CG 4.28Å; I157-Y164 HydrophobicContact CG2-CD2 4.18Å; I157-Y164 HydrophobicContact CG2-CE2 3.8Å
165L89.2Confident89Confident143 Ų14351.1 Ų51.175%0.74928%0.284SS*.  trans-930173.5-84.7165.1000112.6R120 K122 V145R120-L165 HydrophobicContact CB-CB 4.47Å; R120-L165 HydrophobicContact CB-CD1 4.45Å; R120-L165 HydrophobicContact CG-CB 4.49Å; R120-L165 HydrophobicContact CG-CD1 3.67Å; R120-L165 PolarHBondContact O-N 3.5Å; R120-L165 VanDerWaalsContact O-N 3.15Å; K122-L165 HydrophobicContact CB-CD1 4.1Å; K122-L165 HydrophobicContact CB-CD2 4.15Å; K122-L165 HydrophobicContact CB-CG 3.96Å; K122-L165 HydrophobicContact CD-CD2 4.41Å; V145-L165 HydrophobicContact CB-CD1 4.25Å; V145-L165 HydrophobicContact CG1-CD1 3.39Å; V145-L165 HydrophobicContact CG2-CD1 3.84Å

Retrieved 165 of 165 residues in 30.1 ms (Link to these results)

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