G4VBT2_SCHMA Loading...

Putative serine/arginine rich splicing factor AlphaSync

AlphaFold DB , UniProt , Accession G4VBT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M41.4Very low50.7Low225 Ų225134.1 Ų134.1100%1.10866%0.663SS**  0106.70-65.289.8164.200110.8R3M1-R3 PolarHBondContact O-N 3.15Å
2N33.9Very low52Low144 Ų144136.9 Ų136.977%0.7768%0.683SS**  trans-79.6103.2175.3-96.839.5000110.8Y4N2-Y4 HydrophobicContact CB-CD2 4.47Å; N2-Y4 PolarHBondContact O-N 3.45Å
3R48.6Very low53.7Low178 Ų178132.1 Ų132.167%0.67269%0.689SS**G310 helixtrans-73.44.5-179.7-66.9-172.5-111.3-179.8-0.2114.6M1 G5 D29M1-R3 PolarHBondContact O-N 3.15Å; R3-G5 PolarHBondContact O-N 2.93Å; R3-D29 IonicContact CZ-OD2 2.98Å; R3-D29 IonicContact NH1-OD2 2.69Å; R3-D29 IonicContact NH2-OD2 3.71Å; R3-D29 PolarHBondContact NH2-OD2 3.45Å
4Y48.7Very low55.8Low118 Ų118126.1 Ų126.146%0.46366%0.657SS.*G310 helixtrans-75.1-0.4-178.4-61-73.6000114.9N2N2-Y4 HydrophobicContact CB-CD2 4.47Å; N2-Y4 PolarHBondContact O-N 3.45Å
5G46.2Very low57.9Low73 Ų73119.4 Ų119.475%0.75362%0.623SS**G310 helixtrans-98.3-0.4-179.100000116.1R3 S7R3-G5 PolarHBondContact O-N 2.93Å; G5-S7 PolarHBondContact O-N 3.04Å
6R51.4Low59.9Low227 Ų227113.1 Ų113.186%0.85759%0.593SS**SBendtrans-71.9122.5173.5-97.3-168.6176.5-171.6-0.6108.9
7S48.7Very low61.7Low104 Ų104106.5 Ų106.573%0.72756%0.558SS**  trans-36.1131.9165.6-58.70000109.1G5G5-S7 PolarHBondContact O-N 3.04Å
8P56.6Low63.4Low82 Ų82104.3 Ų104.353%0.53254%0.543SS..  trans-52123.5-17720.6-30.4000107.6I11P8-I11 HydrophobicContact CB-CD1 4.12Å; P8-I11 HydrophobicContact CB-CG1 4.46Å
9P57.6Low64.8Low44 Ų4498.8 Ų98.829%0.28652%0.515SS..  trans-53.3150.4176.120.3-28.9000107.8I11 D43P9-I11 WeakPolarHBondContact O-CG1 2.95Å; P9-I11 PolarHBondContact O-N 2.82Å; P9-D43 HydrophobicContact CG-CB 3.7Å
10R60.6Low66.1Low229 Ų22996.7 Ų96.786%0.86450%0.504SS*.  trans-59.2102.3-176.4-63.7-179.3106.8-1415.5108.4D12 M14R10-D12 VanDerWaalsContact C-N 3.32Å; R10-M14 VanDerWaalsContact O-CE 3.22Å; R10-M14 WeakPolarHBondContact O-CE 2.84Å; R10-M14 VanDerWaalsContact O-SD 3.4Å
11I63.8Low67.2Low51 Ų5195.6 Ų95.626%0.26250%0.498SS..  trans-80.4-22.2-169.5-55.3-160.1000110.7P8 P9 G13 M14 R62 R95P8-I11 HydrophobicContact CB-CD1 4.12Å; P8-I11 HydrophobicContact CB-CG1 4.46Å; P9-I11 WeakPolarHBondContact O-CG1 2.95Å; P9-I11 PolarHBondContact O-N 2.82Å; I11-G13 PolarHBondContact O-N 2.68Å; I11-G13 VanDerWaalsContact O-N 3.16Å; I11-M14 PolarHBondContact O-N 3.37Å; I11-M14 VanDerWaalsContact O-N 3.12Å; I11-R62 VanDerWaalsContact CA-NH1 3.27Å; I11-R62 VanDerWaalsContact CA-NH2 3.33Å; I11-R62 VanDerWaalsContact CB-NH1 3.28Å; I11-R62 PolarHBondContact O-NH2 2.98Å; I11-R95 HydrophobicContact CD1-CB 4.2Å
12D66.2Low69.4Low168 Ų16885.2 Ų85.290%0.89845%0.448SS*.THydrogen-bonded Turntrans-61.8112.9-172.4-140.3-105.6000110.6R10R10-D12 VanDerWaalsContact C-N 3.32Å
13G74.6Confident71.8Confident74 Ų7478.8 Ų78.876%0.76341%0.414SS*.THydrogen-bonded Turntrans94.8-8.1-179.600000116.6I11I11-G13 PolarHBondContact O-N 2.68Å; I11-G13 VanDerWaalsContact O-N 3.16Å
14M83.2Confident73.4Confident49 Ų4976.6 Ų76.624%0.24141%0.407CS..PPolyproline II helixtrans-86143.8178-74170-177.200112R10 I11 R62 Y63R10-M14 VanDerWaalsContact O-CE 3.22Å; R10-M14 WeakPolarHBondContact O-CE 2.84Å; R10-M14 VanDerWaalsContact O-SD 3.4Å; I11-M14 PolarHBondContact O-N 3.37Å; I11-M14 VanDerWaalsContact O-N 3.12Å; M14-R62 PolarHBondContact O-NH2 3.3Å; M14-Y63 CarbonylContact C-O 3.55Å; M14-Y63 WeakPolarHBondContact CA-O 3.28Å; M14-Y63 VanDerWaalsContact CB-O 3.28Å; M14-Y63 WeakPolarHBondContact CB-O 3.37Å
15V87.3Confident75Confident25 Ų2579.4 Ų79.415%0.15242%0.417CS..EExtended strand (participates in β ladder)trans-87.4125.8-179.7-177.70000110.2R62 Y63 D66 A69V15-R62 CarbonylContact O-C 3.54Å; V15-R62 WeakPolarHBondContact O-CA 3.27Å; V15-Y63 PolarHBondContact N-O 2.87Å; V15-Y63 PolarHBondContact O-N 2.82Å; V15-D66 HydrophobicContact CG2-CB 3.96Å; V15-A69 HydrophobicContact CB-CB 3.84Å; V15-A69 HydrophobicContact CG1-CB 3.45Å; V15-A69 VanDerWaalsContact CG1-CB 3.45Å
16S89.4Confident76.7Confident19 Ų1976.3 Ų76.313%0.13338%0.383CS..EExtended strand (participates in β ladder)trans-99.7130.3-179.7-53.40000110R62 A91S16-R62 PolarHBondContact OG-NE 3.23Å; S16-A91 VanDerWaalsContact O-CB 3.32Å; S16-A91 WeakPolarHBondContact O-CB 2.99Å; S16-A91 PolarHBondContact O-N 3.48Å
17L91.3Very high78.3Confident0 Ų068.6 Ų68.60%036%0.361CS..EExtended strand (participates in β ladder)trans-106.7139172-61-171.9000109.8F60 V61 Y63 A69 A72 I73 V88 Q89 R90L17-F60 CarbonylContact O-C 3.5Å; L17-F60 WeakPolarHBondContact O-CA 3.3Å; L17-V61 PolarHBondContact N-O 3.23Å; L17-V61 PolarHBondContact O-N 3.4Å; L17-Y63 HydrophobicContact CD1-CD2 3.82Å; L17-Y63 HydrophobicContact CD1-CE2 3.63Å; L17-Y63 HydrophobicContact CG-CD2 4.21Å; L17-Y63 HydrophobicContact CG-CE2 4.45Å; L17-A69 HydrophobicContact CD1-CB 4.31Å; L17-A69 HydrophobicContact CD2-CB 3.93Å; L17-A69 HydrophobicContact CG-CB 4.17Å; L17-A72 HydrophobicContact CD1-CB 3.79Å; L17-I73 HydrophobicContact CD1-CG1 4.13Å; L17-I73 HydrophobicContact CD2-CD1 3.47Å; L17-I73 VanDerWaalsContact CD2-CD1 3.47Å; L17-I73 HydrophobicContact CD2-CG1 3.61Å; L17-V88 HydrophobicContact CB-CG1 4.34Å; L17-V88 HydrophobicContact CD1-CG1 3.96Å; L17-Q89 CarbonylContact C-O 3.59Å; L17-Q89 WeakPolarHBondContact CA-O 3.08Å; L17-R90 HydrophobicContact CD2-CG 4.33Å
18K91.5Very high80.1Confident68 Ų6865.7 Ų65.730%0.29634%0.337SS..EExtended strand (participates in β ladder)trans-99125.1168.4-174.3-171.8175.2-154.80108.1D20 F60 V88 Q89 A91K18-D20 WeakPolarHBondContact CE-OD2 3.28Å; K18-D20 IonicContact NZ-OD2 2.61Å; K18-D20 PolarHBondContact NZ-OD2 2.74Å; K18-F60 HydrophobicContact CB-CD1 4.1Å; K18-F60 HydrophobicContact CB-CE1 3.88Å; K18-F60 HydrophobicContact CD-CE1 4.35Å; K18-F60 HydrophobicContact CG-CD1 4.29Å; K18-F60 HydrophobicContact CG-CE1 3.8Å; K18-F60 HydrophobicContact CG-CZ 4.35Å; K18-V88 WeakPolarHBondContact O-CA 3.22Å; K18-Q89 PolarHBondContact N-O 3.36Å; K18-Q89 PolarHBondContact O-N 2.87Å; K18-A91 HydrophobicContact CB-CB 4.27Å
19V91Very high81.6Confident0 Ų065.7 Ų65.70%033%0.333CS..EExtended strand (participates in β ladder)trans-106.9119.3172.7-170.30000107.4L22 F35 F58 A59 V61 V86 R87 V88V19-L22 HydrophobicContact CB-CD1 3.86Å; V19-L22 HydrophobicContact CG1-CD1 3.59Å; V19-L22 HydrophobicContact CG1-CD2 4Å; V19-L22 HydrophobicContact CG1-CG 3.75Å; V19-F35 HydrophobicContact CB-CZ 4.43Å; V19-F35 HydrophobicContact CG1-CE2 4.39Å; V19-F35 HydrophobicContact CG1-CZ 4.17Å; V19-F35 HydrophobicContact CG2-CE1 4.13Å; V19-F35 HydrophobicContact CG2-CE2 3.82Å; V19-F35 HydrophobicContact CG2-CZ 3.36Å; V19-F58 CarbonylContact O-C 3.6Å; V19-F58 WeakPolarHBondContact O-CA 3.17Å; V19-F58 VanDerWaalsContact O-CB 3.24Å; V19-F58 WeakPolarHBondContact O-CB 3.48Å; V19-A59 PolarHBondContact N-O 3.42Å; V19-A59 PolarHBondContact O-N 2.78Å; V19-V61 HydrophobicContact CG2-CG2 3.97Å; V19-V86 HydrophobicContact CG1-CB 4.13Å; V19-R87 CarbonylContact C-O 3.49Å; V19-R87 WeakPolarHBondContact CA-O 3.39Å; V19-V88 HydrophobicContact CG1-CG2 4.2Å; V19-V88 HydrophobicContact CG2-CG1 4.5Å; V19-V88 HydrophobicContact CG2-CG2 4.36Å
20D90.4Very high83.1Confident55 Ų5566.6 Ų66.629%0.29434%0.335SS..EExtended strand (participates in β ladder)trans-114.4164.6-176.8-149.2-88.5000110.7K18 L22 V86 R87K18-D20 WeakPolarHBondContact CE-OD2 3.28Å; K18-D20 IonicContact NZ-OD2 2.61Å; K18-D20 PolarHBondContact NZ-OD2 2.74Å; D20-L22 VanDerWaalsContact C-N 3.3Å; D20-L22 PolarHBondContact O-N 2.65Å; D20-V86 WeakPolarHBondContact O-CA 3.23Å; D20-R87 HydrophobicContact CB-CB 4.23Å; D20-R87 PolarHBondContact N-O 3.3Å; D20-R87 PolarHBondContact O-N 3.19Å
21N89.2Confident84.4Confident74 Ų7455.8 Ų55.840%0.39630%0.295SS..SBendtrans5635.4-175.3-162.736.7000115.4G57 E85N21-G57 PolarHBondContact N-O 3.45Å; N21-E85 WeakPolarHBondContact CB-O 3.12Å; N21-E85 PolarHBondContact ND2-O 2.75Å
22L87.1Confident85.7Confident8 Ų860.5 Ų60.54%0.04231%0.309CS..  trans-73.9151.5173.6-77.7162.8000112V19 D20 T26 L31 G57 A59 R84 V86V19-L22 HydrophobicContact CB-CD1 3.86Å; V19-L22 HydrophobicContact CG1-CD1 3.59Å; V19-L22 HydrophobicContact CG1-CD2 4Å; V19-L22 HydrophobicContact CG1-CG 3.75Å; D20-L22 VanDerWaalsContact C-N 3.3Å; D20-L22 PolarHBondContact O-N 2.65Å; L22-T26 HydrophobicContact CD2-CG2 4.01Å; L22-L31 HydrophobicContact CD1-CD1 4.22Å; L22-L31 HydrophobicContact CD1-CD2 3.93Å; L22-L31 HydrophobicContact CD2-CD2 3.78Å; L22-G57 PolarHBondContact N-O 2.88Å; L22-A59 HydrophobicContact CD1-CB 3.52Å; L22-R84 PolarHBondContact O-NH1 3.38Å; L22-V86 HydrophobicContact CD2-CG1 3.61Å; L22-V86 HydrophobicContact CG-CG1 4.17Å
23A84.1Confident86.8Confident9 Ų962.6 Ų62.67%0.07431%0.305CS..  trans-66.4144.9169.400000110.3R25 T26 D82A23-R25 HydrophobicContact CB-CG 4.13Å; A23-R25 PolarHBondContact O-N 2.72Å; A23-R25 VanDerWaalsContact O-N 3.16Å; A23-T26 PolarHBondContact N-OG1 2.87Å; A23-T26 WeakPolarHBondContact O-CB 2.87Å; A23-T26 PolarHBondContact O-N 2.73Å; A23-T26 PolarHBondContact O-OG1 3.16Å; A23-D82 HydrophobicContact CB-CB 4.19Å; A23-D82 WeakPolarHBondContact CB-OD1 3.46Å
24Y82.2Confident87.4Confident131 Ų13160.8 Ų60.851%0.51428%0.278SS..THydrogen-bonded Turntrans-61.6-26.5-179.6-62.3-62000112.9S55Y24-S55 WeakPolarHBondContact CD1-O 3.38Å; Y24-S55 WeakPolarHBondContact CE1-O 3.37Å; Y24-S55 PolarHBondContact O-OG 3.4Å
25R82.6Confident87.7Confident178 Ų17858.5 Ų58.567%0.67227%0.267SS*.THydrogen-bonded Turntrans-82-10.9176.566.9-176.1-176.8-144-7.3114.2A23 T27 D82A23-R25 HydrophobicContact CB-CG 4.13Å; A23-R25 PolarHBondContact O-N 2.72Å; A23-R25 VanDerWaalsContact O-N 3.16Å; R25-T27 PolarHBondContact O-N 2.68Å; R25-D82 WeakPolarHBondContact CD-OD1 3.34Å; R25-D82 VanDerWaalsContact CG-OD1 3.26Å; R25-D82 WeakPolarHBondContact CG-OD1 3.25Å; R25-D82 IonicContact CZ-OD1 3.22Å; R25-D82 VanDerWaalsContact CZ-OD1 3.22Å; R25-D82 IonicContact CZ-OD2 3.34Å; R25-D82 IonicContact NE-OD1 3.18Å; R25-D82 PolarHBondContact NE-OD1 2.69Å; R25-D82 IonicContact NE-OD2 3.87Å; R25-D82 PolarHBondContact NE-OD2 2.78Å; R25-D82 VanDerWaalsContact NE-OD2 3.1Å; R25-D82 PolarHBondContact NH2-O 2.95Å; R25-D82 IonicContact NH2-OD1 3.1Å; R25-D82 PolarHBondContact NH2-OD1 2.84Å; R25-D82 VanDerWaalsContact NH2-OD1 3.1Å; R25-D82 IonicContact NH2-OD2 2.77Å; R25-D82 PolarHBondContact NH2-OD2 3.05Å
26T82.4Confident87.8Confident7 Ų760.8 Ų60.84%0.04328%0.284CS..  trans-63.9127.5-179.8-52.10000110.1L22 A23 D30 L31L22-T26 HydrophobicContact CD2-CG2 4.01Å; A23-T26 PolarHBondContact N-OG1 2.87Å; A23-T26 WeakPolarHBondContact O-CB 2.87Å; A23-T26 PolarHBondContact O-N 2.73Å; A23-T26 PolarHBondContact O-OG1 3.16Å; T26-D30 HydrophobicContact CG2-CB 4.05Å; T26-L31 HydrophobicContact CG2-CD2 4.11Å; T26-L31 HydrophobicContact CG2-CG 3.93Å
27T84.6Confident87.8Confident65 Ų6566.9 Ų66.940%0.39930%0.304SS..  trans-102.4166.8-179.465.30000111.4R25 D29 D30 L31R25-T27 PolarHBondContact O-N 2.68Å; T27-D29 PolarHBondContact O-N 2.74Å; T27-D30 PolarHBondContact O-N 3.25Å; T27-D30 PolarHBondContact OG1-N 2.68Å; T27-L31 PolarHBondContact O-N 3.46Å; T27-L31 VanDerWaalsContact O-N 3.13Å
28I87.1Confident87.7Confident44 Ų4468.9 Ų68.923%0.22631%0.313CS..Hα-helixtrans-57.6-39174.3-64.3170.3000110.9R32 I44 I46I28-R32 VanDerWaalsContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CB 3.38Å; I28-R32 PolarHBondContact O-N 2.75Å; I28-I44 HydrophobicContact CB-CG2 4.43Å; I28-I44 HydrophobicContact CG1-CG2 4.32Å; I28-I44 HydrophobicContact CG2-CB 3.81Å; I28-I44 HydrophobicContact CG2-CD1 4.01Å; I28-I44 HydrophobicContact CG2-CG1 4.47Å; I28-I44 HydrophobicContact CG2-CG2 3.9Å; I28-I46 HydrophobicContact CB-CD1 4.47Å; I28-I46 HydrophobicContact CG1-CD1 3.58Å; I28-I46 HydrophobicContact CG1-CG1 3.88Å
29D88Confident87.5Confident81 Ų8166.5 Ų66.543%0.43331%0.308SS..Hα-helixtrans-65.8-40-180-99.5-86.2000111.8R3 T27 R32 R33R3-D29 IonicContact CZ-OD2 2.98Å; R3-D29 IonicContact NH1-OD2 2.69Å; R3-D29 IonicContact NH2-OD2 3.71Å; R3-D29 PolarHBondContact NH2-OD2 3.45Å; T27-D29 PolarHBondContact O-N 2.74Å; D29-R32 PolarHBondContact O-N 3.3Å; D29-R33 PolarHBondContact O-N 3.02Å
30D88.1Confident87.3Confident64 Ų6472.9 Ų72.934%0.34234%0.338SS..Hα-helixtrans-62.9-51.9176.2-163.3-109000110.8T26 T27 R32 R33 V34T26-D30 HydrophobicContact CG2-CB 4.05Å; T27-D30 PolarHBondContact O-N 3.25Å; T27-D30 PolarHBondContact OG1-N 2.68Å; D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.46Å; D30-R33 WeakPolarHBondContact O-CB 3.34Å; D30-R33 PolarHBondContact O-N 2.66Å; D30-V34 WeakPolarHBondContact O-CG2 3.32Å; D30-V34 PolarHBondContact O-N 2.8Å
31L88.8Confident87.3Confident2 Ų271.3 Ų71.31%0.0133%0.33CS..Hα-helixtrans-55.2-46174.1-68.9172.5000111.4L22 T26 T27 R33 V34 F35 I44 I46 A59L22-L31 HydrophobicContact CD1-CD1 4.22Å; L22-L31 HydrophobicContact CD1-CD2 3.93Å; L22-L31 HydrophobicContact CD2-CD2 3.78Å; T26-L31 HydrophobicContact CG2-CD2 4.11Å; T26-L31 HydrophobicContact CG2-CG 3.93Å; T27-L31 PolarHBondContact O-N 3.46Å; T27-L31 VanDerWaalsContact O-N 3.13Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.45Å; L31-V34 PolarHBondContact O-N 3.12Å; L31-F35 HydrophobicContact CB-CD2 4.27Å; L31-F35 HydrophobicContact CD2-CD2 4.13Å; L31-F35 HydrophobicContact CD2-CE2 3.75Å; L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.07Å; L31-F35 VanDerWaalsContact O-CD2 3.25Å; L31-F35 WeakPolarHBondContact O-CD2 3.37Å; L31-F35 PolarHBondContact O-N 2.97Å; L31-I44 HydrophobicContact CB-CD1 4.29Å; L31-I44 HydrophobicContact CB-CG2 4.46Å; L31-I44 HydrophobicContact CD1-CG2 4.07Å; L31-I46 HydrophobicContact CD1-CD1 3.88Å; L31-I46 HydrophobicContact CD1-CG1 4.19Å; L31-A59 HydrophobicContact CD1-CB 3.4Å
32R89.8Confident87.1Confident149 Ų14969.5 Ų69.556%0.56233%0.328SS*.Hα-helixtrans-57.5-43.2178.7-165.9178.5-179.8-138.7-2.1111I28 D29 D30 S36 I44I28-R32 VanDerWaalsContact O-CB 3.32Å; I28-R32 WeakPolarHBondContact O-CB 3.38Å; I28-R32 PolarHBondContact O-N 2.75Å; D29-R32 PolarHBondContact O-N 3.3Å; D30-R32 VanDerWaalsContact C-N 3.29Å; D30-R32 PolarHBondContact O-N 3.46Å; R32-S36 WeakPolarHBondContact O-CB 3.31Å; R32-S36 PolarHBondContact O-N 2.93Å; R32-I44 HydrophobicContact CB-CD1 3.54Å; R32-I44 HydrophobicContact CG-CD1 4.06Å
33R89.4Confident87Confident213 Ų21370.8 Ų70.880%0.80434%0.336SS*.Hα-helixtrans-64.6-44179.6-168.1177.3-179-177.70.3112.1D29 D30 L31D29-R33 PolarHBondContact O-N 3.02Å; D30-R33 WeakPolarHBondContact O-CB 3.34Å; D30-R33 PolarHBondContact O-N 2.66Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.45Å
34V88.6Confident87.2Confident35 Ų3571.3 Ų71.321%0.21234%0.337CS..Hα-helixtrans-73.2-43-178.7-152.10000111.6D30 L31 R37 M76D30-V34 WeakPolarHBondContact O-CG2 3.32Å; D30-V34 PolarHBondContact O-N 2.8Å; L31-V34 PolarHBondContact O-N 3.12Å; V34-R37 WeakPolarHBondContact O-CG 3.32Å; V34-M76 HydrophobicContact CB-CE 4.38Å; V34-M76 HydrophobicContact CG1-CE 3.56Å; V34-M76 HydrophobicContact CG1-SD 3.71Å
35F89.4Confident87.3Confident2 Ų268 Ų681%0.00932%0.324CS..Hα-helixtrans-76.9-26.7-177.1-79.7-84.1000113V19 L31 R37 F38 V41 V61 Y63 A72 M76 V88V19-F35 HydrophobicContact CB-CZ 4.43Å; V19-F35 HydrophobicContact CG1-CE2 4.39Å; V19-F35 HydrophobicContact CG1-CZ 4.17Å; V19-F35 HydrophobicContact CG2-CE1 4.13Å; V19-F35 HydrophobicContact CG2-CE2 3.82Å; V19-F35 HydrophobicContact CG2-CZ 3.36Å; L31-F35 HydrophobicContact CB-CD2 4.27Å; L31-F35 HydrophobicContact CD2-CD2 4.13Å; L31-F35 HydrophobicContact CD2-CE2 3.75Å; L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.07Å; L31-F35 VanDerWaalsContact O-CD2 3.25Å; L31-F35 WeakPolarHBondContact O-CD2 3.37Å; L31-F35 PolarHBondContact O-N 2.97Å; F35-R37 PolarHBondContact O-N 3.31Å; F35-R37 VanDerWaalsContact O-N 3.08Å; F35-F38 PolarHBondContact O-N 3.39Å; F35-F38 VanDerWaalsContact O-N 3.15Å; F35-V41 HydrophobicContact CB-CG2 3.87Å; F35-V61 HydrophobicContact CB-CG1 4.14Å; F35-V61 HydrophobicContact CD1-CG1 4.21Å; F35-V61 HydrophobicContact CD1-CG2 4.48Å; F35-V61 HydrophobicContact CD2-CG2 4.06Å; F35-V61 HydrophobicContact CE2-CG2 4.23Å; F35-V61 HydrophobicContact CG-CG1 4.11Å; F35-V61 HydrophobicContact CG-CG2 4.2Å; F35-Y63 VanDerWaalsContact CB-OH 3.28Å; F35-Y63 WeakPolarHBondContact CB-OH 3.39Å; F35-Y63 HydrophobicContact CD1-CE2 4.21Å; F35-Y63 WeakPolarHBondContact CD1-OH 3.49Å; F35-Y63 PolarHBondContact O-OH 3.36Å; F35-A72 HydrophobicContact CD1-CB 4.15Å; F35-A72 HydrophobicContact CE1-CB 4.37Å; F35-M76 HydrophobicContact CE1-CB 4.38Å; F35-M76 HydrophobicContact CE1-CG 4.19Å; F35-M76 HydrophobicContact CZ-CB 4.4Å; F35-M76 HydrophobicContact CZ-CG 4.34Å; F35-V88 HydrophobicContact CE1-CG1 4.12Å; F35-V88 HydrophobicContact CE1-CG2 4.28Å; F35-V88 HydrophobicContact CZ-CG1 4.43Å; F35-V88 HydrophobicContact CZ-CG2 3.92Å
36S89.3Confident87.5Confident73 Ų7360 Ų6051%0.5129%0.294SS..THydrogen-bonded Turntrans-63.9-14176.5-172.70000113.7R32 F38 G39R32-S36 WeakPolarHBondContact O-CB 3.31Å; R32-S36 PolarHBondContact O-N 2.93Å; S36-F38 VanDerWaalsContact C-N 3.29Å; S36-F38 PolarHBondContact O-N 3.37Å; S36-G39 WeakPolarHBondContact CA-O 3.22Å
37R89.9Confident87.4Confident146 Ų14660.5 Ų60.555%0.55130%0.298SS*.THydrogen-bonded Turntrans-72.5-21.2175.988.8-177.8-170.7-173.5-2.4113.6V34 F35 G75V34-R37 WeakPolarHBondContact O-CG 3.32Å; F35-R37 PolarHBondContact O-N 3.31Å; F35-R37 VanDerWaalsContact O-N 3.08Å; R37-G75 PolarHBondContact NH2-O 2.85Å
38F88.4Confident87.3Confident43 Ų4361.9 Ų61.919%0.18930%0.296CS..THydrogen-bonded Turntrans-101.2-15.2-175.6-58.5-81.6000113.5F35 S36 A72 M76F35-F38 PolarHBondContact O-N 3.39Å; F35-F38 VanDerWaalsContact O-N 3.15Å; S36-F38 VanDerWaalsContact C-N 3.29Å; S36-F38 PolarHBondContact O-N 3.37Å; F38-A72 HydrophobicContact CB-CB 3.91Å; F38-A72 HydrophobicContact CD2-CB 4.18Å; F38-A72 HydrophobicContact CG-CB 4.09Å; F38-M76 HydrophobicContact CD2-CG 4.19Å; F38-M76 HydrophobicContact CE2-CG 3.2Å; F38-M76 HydrophobicContact CE2-SD 3.64Å; F38-M76 HydrophobicContact CZ-CG 3.49Å; F38-M76 VanDerWaalsContact CZ-CG 3.49Å; F38-M76 HydrophobicContact CZ-SD 3.86Å
39G87.1Confident86.8Confident18 Ų1862.1 Ų62.119%0.18630%0.297CS..SBendtrans166.9179.8-177.300000112.6S36 V41 E68S36-G39 WeakPolarHBondContact CA-O 3.22Å; G39-V41 PolarHBondContact O-N 3.02Å; G39-E68 WeakPolarHBondContact CA-OE1 3.08Å
40E88Confident86Confident134 Ų13462.6 Ų62.663%0.62631%0.305SS*.  trans-76.7114.8178.9-172.6170.292.800111.4G42 Y63 E68E40-G42 PolarHBondContact O-N 3.47Å; E40-Y63 VanDerWaalsContact O-CD1 3.25Å; E40-Y63 WeakPolarHBondContact O-CD1 3.49Å; E40-E68 PolarHBondContact N-OE1 3.15Å
41V88.5Confident85.5Confident22 Ų2269.4 Ų69.413%0.13333%0.327CS..EExtended strand (participates in β ladder)trans-81.6109.8177.4-174.20000109.7F35 G39 I44 V61 Y63F35-V41 HydrophobicContact CB-CG2 3.87Å; G39-V41 PolarHBondContact O-N 3.02Å; V41-I44 HydrophobicContact CG1-CD1 3.8Å; V41-I44 HydrophobicContact CG1-CG1 3.49Å; V41-I44 VanDerWaalsContact CG1-CG1 3.49Å; V41-V61 HydrophobicContact CG1-CG1 3.69Å; V41-V61 HydrophobicContact CG2-CG1 4.35Å; V41-Y63 HydrophobicContact CG2-CE1 3.95Å
42G85.1Confident84.8Confident35 Ų3573.2 Ų73.236%0.36135%0.351SS..EExtended strand (participates in β ladder)trans-77.9-42.3-179.600000113.6E40 R62E40-G42 PolarHBondContact O-N 3.47Å; G42-R62 PolarHBondContact N-O 2.83Å
43D85.8Confident83.8Confident36 Ų3673.1 Ų73.119%0.19336%0.355CS..EExtended strand (participates in β ladder)trans-151.6148.3180-171.556.5000111.8P9 R62P9-D43 HydrophobicContact CG-CB 3.7Å; D43-R62 HydrophobicContact CB-CB 4.15Å; D43-R62 HydrophobicContact CB-CG 4.37Å; D43-R62 PolarHBondContact N-O 2.79Å; D43-R62 PolarHBondContact O-N 3Å
44I87.8Confident82.8Confident20 Ų2068.4 Ų68.410%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-132.8128.8175-55.9173.9000108.7I28 L31 R32 V41 F60 V61I28-I44 HydrophobicContact CB-CG2 4.43Å; I28-I44 HydrophobicContact CG1-CG2 4.32Å; I28-I44 HydrophobicContact CG2-CB 3.81Å; I28-I44 HydrophobicContact CG2-CD1 4.01Å; I28-I44 HydrophobicContact CG2-CG1 4.47Å; I28-I44 HydrophobicContact CG2-CG2 3.9Å; L31-I44 HydrophobicContact CB-CD1 4.29Å; L31-I44 HydrophobicContact CB-CG2 4.46Å; L31-I44 HydrophobicContact CD1-CG2 4.07Å; R32-I44 HydrophobicContact CB-CD1 3.54Å; R32-I44 HydrophobicContact CG-CD1 4.06Å; V41-I44 HydrophobicContact CG1-CD1 3.8Å; V41-I44 HydrophobicContact CG1-CG1 3.49Å; V41-I44 VanDerWaalsContact CG1-CG1 3.49Å; I44-F60 CarbonylContact C-O 3.46Å; I44-F60 WeakPolarHBondContact CA-O 3.27Å; I44-V61 HydrophobicContact CG1-CG1 4.47Å; I44-V61 HydrophobicContact CG2-CG2 4.48Å
45Y84.9Confident81.9Confident62 Ų6267.3 Ų67.324%0.24334%0.335CS..EExtended strand (participates in β ladder)trans-128.9121.1-180177.4-121.5000110.8P47 F60 R95Y45-P47 HydrophobicContact CD1-CG 4.07Å; Y45-P47 HydrophobicContact CE1-CB 4.24Å; Y45-P47 HydrophobicContact CE1-CG 3.65Å; Y45-P47 WeakPolarHBondContact O-CD 3.28Å; Y45-F60 AromaticContact CD1-CD2 3.94Å; Y45-F60 HydrophobicContact CD1-CD2 3.94Å; Y45-F60 PolarHBondContact N-O 3.34Å; Y45-F60 PolarHBondContact O-N 2.9Å; Y45-R95 HydrophobicContact CD1-CG 4.33Å; Y45-R95 HydrophobicContact CE1-CG 4.44Å; Y45-R95 VanDerWaalsContact CE2-NH2 3.34Å
46I86.5Confident81.3Confident8 Ų875 Ų754%0.04136%0.364CS..  trans-110.2105.8174.7-53.3-177.9000107.8I28 L31 R48 A59I28-I46 HydrophobicContact CB-CD1 4.47Å; I28-I46 HydrophobicContact CG1-CD1 3.58Å; I28-I46 HydrophobicContact CG1-CG1 3.88Å; L31-I46 HydrophobicContact CD1-CD1 3.88Å; L31-I46 HydrophobicContact CD1-CG1 4.19Å; I46-R48 HydrophobicContact CG2-CG 4.32Å; I46-R48 PolarHBondContact O-N 2.85Å; I46-A59 HydrophobicContact CG1-CB 3.84Å
47P80Confident81.2Confident18 Ų1871.9 Ų71.912%0.11734%0.344CS..  trans-65.9118.9170.8-12.426.8000109.1Y45 F58 F60Y45-P47 HydrophobicContact CD1-CG 4.07Å; Y45-P47 HydrophobicContact CE1-CB 4.24Å; Y45-P47 HydrophobicContact CE1-CG 3.65Å; Y45-P47 WeakPolarHBondContact O-CD 3.28Å; P47-F58 HydrophobicContact CB-CE2 4.17Å; P47-F58 HydrophobicContact CB-CZ 4.49Å; P47-F58 HydrophobicContact CG-CD2 4.13Å; P47-F58 HydrophobicContact CG-CE2 3.64Å; P47-F58 HydrophobicContact CG-CZ 4.41Å; P47-F60 HydrophobicContact CG-CD2 3.92Å; P47-F60 HydrophobicContact CG-CE2 3.7Å
48R82.1Confident81.1Confident95 Ų9566.8 Ų66.836%0.35833%0.326SS..BIsolated β-bridgetrans-108.1148.2172.3-64-176.8178.3-179.8-2.6109I46I46-R48 HydrophobicContact CG2-CG 4.32Å; I46-R48 PolarHBondContact O-N 2.85Å
49D78.3Confident81.2Confident48 Ų4864.8 Ų64.826%0.25732%0.317SS..  trans-63.4131.4173.2-167.8-89.2000109.7Y51 T52 F53 E54D49-Y51 PolarHBondContact O-N 2.74Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.47Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.08Å; D49-Y51 PolarHBondContact OD1-N 2.86Å; D49-T52 WeakPolarHBondContact CB-OG1 3.24Å; D49-T52 PolarHBondContact OD1-N 3.29Å; D49-F53 WeakPolarHBondContact O-CA 3.32Å; D49-F53 PolarHBondContact O-N 2.87Å; D49-E54 PolarHBondContact N-O 3.38Å
50P71.3Confident81.3Confident92 Ų9266.1 Ų66.160%0.59732%0.318SS*.THydrogen-bonded Turntrans-71.8-17.3-177.427.6-33.3000113.5
51Y75.8Confident81.4Confident206 Ų20659.8 Ų59.881%0.80829%0.288SS*.THydrogen-bonded Turntrans-98.5-51.6-178.8-58.2-79.6000111.3D49D49-Y51 PolarHBondContact O-N 2.74Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.47Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.08Å; D49-Y51 PolarHBondContact OD1-N 2.86Å
52T75.3Confident81.4Confident82 Ų8259.1 Ų59.150%0.50328%0.284SS..THydrogen-bonded Turntrans-86.9-12.1-178.168.50000112.9D49 E54D49-T52 WeakPolarHBondContact CB-OG1 3.24Å; D49-T52 PolarHBondContact OD1-N 3.29Å; T52-E54 PolarHBondContact O-N 2.8Å; T52-E54 WeakPolarHBondContact OG1-CB 3.11Å; T52-E54 PolarHBondContact OG1-N 2.75Å
53F68.5Low81.7Confident148 Ų14857.4 Ų57.465%0.64927%0.266SS*.  trans54.78.1-169.4-85.8-90.5000114.4D49D49-F53 WeakPolarHBondContact O-CA 3.32Å; D49-F53 PolarHBondContact O-N 2.87Å
54E67.6Low81.7Confident114 Ų11458.2 Ų58.253%0.53327%0.274SS..  trans-73.3135.8178.4-67.6-173.999.200109.6D49 T52 R56D49-E54 PolarHBondContact N-O 3.38Å; T52-E54 PolarHBondContact O-N 2.8Å; T52-E54 WeakPolarHBondContact OG1-CB 3.11Å; T52-E54 PolarHBondContact OG1-N 2.75Å; E54-R56 PolarHBondContact O-N 2.93Å
55S70.4Confident81.7Confident11 Ų1160.5 Ų60.58%0.07729%0.289CS..BIsolated β-bridgetrans-62.6135171-60.70000107.9Y24 G57Y24-S55 WeakPolarHBondContact CD1-O 3.38Å; Y24-S55 WeakPolarHBondContact CE1-O 3.37Å; Y24-S55 PolarHBondContact O-OG 3.4Å; S55-G57 PolarHBondContact O-N 2.96Å
56R77.6Confident81.9Confident163 Ų16361.1 Ų61.162%0.61530%0.296SS*.  trans-75.514.6179.3-61.2-175.576.9174.96.7113.8E54 F58E54-R56 PolarHBondContact O-N 2.93Å; R56-F58 HydrophobicContact CB-CD1 3.58Å; R56-F58 HydrophobicContact CB-CE1 3.19Å; R56-F58 HydrophobicContact CB-CZ 3.96Å; R56-F58 HydrophobicContact CG-CE1 4.12Å; R56-F58 VanDerWaalsContact O-CD1 3.27Å; R56-F58 WeakPolarHBondContact O-CD1 3.42Å; R56-F58 PolarHBondContact O-N 2.94Å
57G85.7Confident82.2Confident9 Ų971 Ų719%0.09333%0.334CS..SBendtrans71.114.7-173.300000114.2N21 L22 S55N21-G57 PolarHBondContact N-O 3.45Å; L22-G57 PolarHBondContact N-O 2.88Å; S55-G57 PolarHBondContact O-N 2.96Å
58F88.5Confident82.7Confident39 Ų3972.1 Ų72.117%0.17134%0.337CS..  trans-140.1154175.564.7-92.6000113.1V19 P47 R56 F60V19-F58 CarbonylContact O-C 3.6Å; V19-F58 WeakPolarHBondContact O-CA 3.17Å; V19-F58 VanDerWaalsContact O-CB 3.24Å; V19-F58 WeakPolarHBondContact O-CB 3.48Å; P47-F58 HydrophobicContact CB-CE2 4.17Å; P47-F58 HydrophobicContact CB-CZ 4.49Å; P47-F58 HydrophobicContact CG-CD2 4.13Å; P47-F58 HydrophobicContact CG-CE2 3.64Å; P47-F58 HydrophobicContact CG-CZ 4.41Å; R56-F58 HydrophobicContact CB-CD1 3.58Å; R56-F58 HydrophobicContact CB-CE1 3.19Å; R56-F58 HydrophobicContact CB-CZ 3.96Å; R56-F58 HydrophobicContact CG-CE1 4.12Å; R56-F58 VanDerWaalsContact O-CD1 3.27Å; R56-F58 WeakPolarHBondContact O-CD1 3.42Å; R56-F58 PolarHBondContact O-N 2.94Å; F58-F60 AromaticContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CZ 4.25Å; F58-F60 AromaticContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CZ 4.21Å
59A89.8Confident83.1Confident0 Ų067.6 Ų67.60%032%0.32CS..EExtended strand (participates in β ladder)trans-139.6161.7179.300000110.8V19 L22 L31 I46V19-A59 PolarHBondContact N-O 3.42Å; V19-A59 PolarHBondContact O-N 2.78Å; L22-A59 HydrophobicContact CD1-CB 3.52Å; L31-A59 HydrophobicContact CD1-CB 3.4Å; I46-A59 HydrophobicContact CG1-CB 3.84Å
60F89.6Confident83.8Confident47 Ų4768.2 Ų68.221%0.20632%0.323CS..EExtended strand (participates in β ladder)trans-117.7129.6173.4-63.5-81.7000109.7L17 K18 I44 Y45 P47 F58 A91L17-F60 CarbonylContact O-C 3.5Å; L17-F60 WeakPolarHBondContact O-CA 3.3Å; K18-F60 HydrophobicContact CB-CD1 4.1Å; K18-F60 HydrophobicContact CB-CE1 3.88Å; K18-F60 HydrophobicContact CD-CE1 4.35Å; K18-F60 HydrophobicContact CG-CD1 4.29Å; K18-F60 HydrophobicContact CG-CE1 3.8Å; K18-F60 HydrophobicContact CG-CZ 4.35Å; I44-F60 CarbonylContact C-O 3.46Å; I44-F60 WeakPolarHBondContact CA-O 3.27Å; Y45-F60 AromaticContact CD1-CD2 3.94Å; Y45-F60 HydrophobicContact CD1-CD2 3.94Å; Y45-F60 PolarHBondContact N-O 3.34Å; Y45-F60 PolarHBondContact O-N 2.9Å; P47-F60 HydrophobicContact CG-CD2 3.92Å; P47-F60 HydrophobicContact CG-CE2 3.7Å; F58-F60 AromaticContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CE2 3.94Å; F58-F60 HydrophobicContact CD2-CZ 4.25Å; F58-F60 AromaticContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CE2 3.85Å; F58-F60 HydrophobicContact CE2-CZ 4.21Å; F60-A91 HydrophobicContact CD1-CB 4.1Å; F60-A91 HydrophobicContact CE1-CB 4.15Å
61V90.1Very high84.8Confident0 Ų067.4 Ų67.40%032%0.319CS..EExtended strand (participates in β ladder)trans-118.8134.3177.1-1790000107.4L17 V19 F35 V41 I44 Y63L17-V61 PolarHBondContact N-O 3.23Å; L17-V61 PolarHBondContact O-N 3.4Å; V19-V61 HydrophobicContact CG2-CG2 3.97Å; F35-V61 HydrophobicContact CB-CG1 4.14Å; F35-V61 HydrophobicContact CD1-CG1 4.21Å; F35-V61 HydrophobicContact CD1-CG2 4.48Å; F35-V61 HydrophobicContact CD2-CG2 4.06Å; F35-V61 HydrophobicContact CE2-CG2 4.23Å; F35-V61 HydrophobicContact CG-CG1 4.11Å; F35-V61 HydrophobicContact CG-CG2 4.2Å; V41-V61 HydrophobicContact CG1-CG1 3.69Å; V41-V61 HydrophobicContact CG2-CG1 4.35Å; I44-V61 HydrophobicContact CG1-CG1 4.47Å; I44-V61 HydrophobicContact CG2-CG2 4.48Å; V61-Y63 HydrophobicContact CG1-CD2 4.41Å; V61-Y63 HydrophobicContact CG1-CE2 3.92Å
62R89.1Confident85.5Confident8 Ų857.6 Ų57.63%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-119.3129-176.2-54.8-173.268.9-121.8-12.5110.1I11 M14 V15 S16 G42 D43I11-R62 VanDerWaalsContact CA-NH1 3.27Å; I11-R62 VanDerWaalsContact CA-NH2 3.33Å; I11-R62 VanDerWaalsContact CB-NH1 3.28Å; I11-R62 PolarHBondContact O-NH2 2.98Å; M14-R62 PolarHBondContact O-NH2 3.3Å; V15-R62 CarbonylContact O-C 3.54Å; V15-R62 WeakPolarHBondContact O-CA 3.27Å; S16-R62 PolarHBondContact OG-NE 3.23Å; G42-R62 PolarHBondContact N-O 2.83Å; D43-R62 HydrophobicContact CB-CB 4.15Å; D43-R62 HydrophobicContact CB-CG 4.37Å; D43-R62 PolarHBondContact N-O 2.79Å; D43-R62 PolarHBondContact O-N 3Å
63Y90.4Very high86.4Confident0 Ų055 Ų550%026%0.263CS..EExtended strand (participates in β ladder)trans-107.9152.9178.1-77-78.5000111.2M14 V15 L17 F35 E40 V41 V61 E68 A69 A72M14-Y63 CarbonylContact C-O 3.55Å; M14-Y63 WeakPolarHBondContact CA-O 3.28Å; M14-Y63 VanDerWaalsContact CB-O 3.28Å; M14-Y63 WeakPolarHBondContact CB-O 3.37Å; V15-Y63 PolarHBondContact N-O 2.87Å; V15-Y63 PolarHBondContact O-N 2.82Å; L17-Y63 HydrophobicContact CD1-CD2 3.82Å; L17-Y63 HydrophobicContact CD1-CE2 3.63Å; L17-Y63 HydrophobicContact CG-CD2 4.21Å; L17-Y63 HydrophobicContact CG-CE2 4.45Å; F35-Y63 VanDerWaalsContact CB-OH 3.28Å; F35-Y63 WeakPolarHBondContact CB-OH 3.39Å; F35-Y63 HydrophobicContact CD1-CE2 4.21Å; F35-Y63 WeakPolarHBondContact CD1-OH 3.49Å; F35-Y63 PolarHBondContact O-OH 3.36Å; E40-Y63 VanDerWaalsContact O-CD1 3.25Å; E40-Y63 WeakPolarHBondContact O-CD1 3.49Å; V41-Y63 HydrophobicContact CG2-CE1 3.95Å; V61-Y63 HydrophobicContact CG1-CD2 4.41Å; V61-Y63 HydrophobicContact CG1-CE2 3.92Å; Y63-E68 HydrophobicContact CD1-CB 3.7Å; Y63-E68 HydrophobicContact CE1-CB 4.28Å; Y63-E68 HydrophobicContact CG-CB 4.07Å; Y63-A69 HydrophobicContact CD2-CB 4.11Å; Y63-A69 HydrophobicContact CG-CB 4.45Å; Y63-A72 HydrophobicContact CE2-CB 3.66Å
64C86.4Confident87.5Confident53 Ų5357.6 Ų57.636%0.35827%0.269SS..SBendtrans-69-40.1175.7-72.20000111.4
65T88Confident88.5Confident68 Ų6853.5 Ų53.542%0.41726%0.257SS..SBendtrans-119.1154-179.366.50000113.6R67 E68 A69T65-R67 VanDerWaalsContact C-N 3.29Å; T65-R67 PolarHBondContact O-N 3.42Å; T65-E68 PolarHBondContact N-OE2 2.8Å; T65-E68 WeakPolarHBondContact OG1-CG 3.26Å; T65-E68 PolarHBondContact OG1-N 2.75Å; T65-E68 PolarHBondContact OG1-OE2 2.67Å; T65-A69 PolarHBondContact O-N 3.35Å
66D89.3Confident89.4Confident74 Ų7453 Ų5340%0.39625%0.253SS..Hα-helixtrans-63.3-35.1175.2-167.7-97.1000112.8V15 A69 D70 R90V15-D66 HydrophobicContact CG2-CB 3.96Å; D66-A69 WeakPolarHBondContact O-CB 3.32Å; D66-A69 PolarHBondContact O-N 2.91Å; D66-D70 PolarHBondContact O-N 2.84Å; D66-R90 IonicContact OD1-CZ 3.1Å; D66-R90 IonicContact OD1-NH1 3.9Å; D66-R90 IonicContact OD1-NH2 2.73Å; D66-R90 PolarHBondContact OD1-NH2 3.01Å; D66-R90 IonicContact OD2-CZ 3.52Å; D66-R90 IonicContact OD2-NH1 2.69Å; D66-R90 PolarHBondContact OD2-NH1 3.35Å; D66-R90 IonicContact OD2-NH2 2.78Å; D66-R90 PolarHBondContact OD2-NH2 2.98Å
67R91.4Very high90Very high217 Ų21748.8 Ų48.882%0.81924%0.243SC*.Hα-helixtrans-63.3-46.3178.1-104.4-165.8155.9-159.2-5.3112.8T65 A69 D70 C71T65-R67 VanDerWaalsContact C-N 3.29Å; T65-R67 PolarHBondContact O-N 3.42Å; R67-A69 VanDerWaalsContact C-N 3.28Å; R67-A69 PolarHBondContact O-N 3.08Å; R67-D70 PolarHBondContact O-N 2.69Å; R67-C71 PolarHBondContact O-N 3.49Å
68E91Very high90.1Very high41 Ų4150.1 Ų50.119%0.19226%0.257CS..Hα-helixtrans-62.5-40.6176.9-67.6166.8124.200110.8G39 E40 Y63 T65 C71 A72G39-E68 WeakPolarHBondContact CA-OE1 3.08Å; E40-E68 PolarHBondContact N-OE1 3.15Å; Y63-E68 HydrophobicContact CD1-CB 3.7Å; Y63-E68 HydrophobicContact CE1-CB 4.28Å; Y63-E68 HydrophobicContact CG-CB 4.07Å; T65-E68 PolarHBondContact N-OE2 2.8Å; T65-E68 WeakPolarHBondContact OG1-CG 3.26Å; T65-E68 PolarHBondContact OG1-N 2.75Å; T65-E68 PolarHBondContact OG1-OE2 2.67Å; E68-C71 PolarHBondContact O-N 2.88Å; E68-A72 WeakPolarHBondContact O-CB 3.45Å; E68-A72 PolarHBondContact O-N 2.79Å
69A91.2Very high90.1Very high0 Ų052.3 Ų52.30%027%0.267CS..Hα-helixtrans-64-42.4178.100000112.3V15 L17 Y63 T65 D66 R67 A72 I73V15-A69 HydrophobicContact CB-CB 3.84Å; V15-A69 HydrophobicContact CG1-CB 3.45Å; V15-A69 VanDerWaalsContact CG1-CB 3.45Å; L17-A69 HydrophobicContact CD1-CB 4.31Å; L17-A69 HydrophobicContact CD2-CB 3.93Å; L17-A69 HydrophobicContact CG-CB 4.17Å; Y63-A69 HydrophobicContact CD2-CB 4.11Å; Y63-A69 HydrophobicContact CG-CB 4.45Å; T65-A69 PolarHBondContact O-N 3.35Å; D66-A69 WeakPolarHBondContact O-CB 3.32Å; D66-A69 PolarHBondContact O-N 2.91Å; R67-A69 VanDerWaalsContact C-N 3.28Å; R67-A69 PolarHBondContact O-N 3.08Å; A69-A72 PolarHBondContact O-N 2.99Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3Å; A69-I73 PolarHBondContact O-N 2.8Å
70D92.1Very high89.8Confident61 Ų6159.2 Ų59.233%0.32630%0.297SS..Hα-helixtrans-66.2-43.7177-161.8-97000112.1D66 R67 A72 I73 R74D66-D70 PolarHBondContact O-N 2.84Å; R67-D70 PolarHBondContact O-N 2.69Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 2.96Å; D70-I73 PolarHBondContact O-N 3.23Å; D70-R74 WeakPolarHBondContact O-CG 3.25Å; D70-R74 PolarHBondContact O-N 3.21Å; D70-R74 VanDerWaalsContact OD1-CD 3.23Å; D70-R74 WeakPolarHBondContact OD1-CD 3.27Å
71C92.6Very high89.4Confident75 Ų7557.7 Ų57.751%0.50729%0.292SS..Hα-helixtrans-57.3-44.6172.9-98.50000111.9R67 E68 R74 G75R67-C71 PolarHBondContact O-N 3.49Å; E68-C71 PolarHBondContact O-N 2.88Å; C71-R74 PolarHBondContact O-N 3.24Å; C71-G75 PolarHBondContact O-N 2.76Å
72A92Very high88.9Confident0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-64.8-41177.900000112.1L17 F35 F38 Y63 E68 A69 D70 M76L17-A72 HydrophobicContact CD1-CB 3.79Å; F35-A72 HydrophobicContact CD1-CB 4.15Å; F35-A72 HydrophobicContact CE1-CB 4.37Å; F38-A72 HydrophobicContact CB-CB 3.91Å; F38-A72 HydrophobicContact CD2-CB 4.18Å; F38-A72 HydrophobicContact CG-CB 4.09Å; Y63-A72 HydrophobicContact CE2-CB 3.66Å; E68-A72 WeakPolarHBondContact O-CB 3.45Å; E68-A72 PolarHBondContact O-N 2.79Å; A69-A72 PolarHBondContact O-N 2.99Å; D70-A72 VanDerWaalsContact C-N 3.31Å; D70-A72 PolarHBondContact O-N 2.96Å; A72-M76 VanDerWaalsContact O-CB 3.26Å; A72-M76 WeakPolarHBondContact O-CB 3.42Å; A72-M76 PolarHBondContact O-N 3.31Å
73I93Very high88.6Confident27 Ų2763.9 Ų63.914%0.13834%0.342CS..Hα-helixtrans-58.4-55.7173.6-70.2161.1000109.6L17 A69 D70 G75 M76 D77 V88 R90L17-I73 HydrophobicContact CD1-CG1 4.13Å; L17-I73 HydrophobicContact CD2-CD1 3.47Å; L17-I73 VanDerWaalsContact CD2-CD1 3.47Å; L17-I73 HydrophobicContact CD2-CG1 3.61Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3Å; A69-I73 PolarHBondContact O-N 2.8Å; D70-I73 PolarHBondContact O-N 3.23Å; I73-G75 PolarHBondContact O-N 3Å; I73-M76 PolarHBondContact O-N 3.29Å; I73-D77 WeakPolarHBondContact O-CB 3.43Å; I73-D77 PolarHBondContact O-N 2.9Å; I73-V88 HydrophobicContact CG1-CG1 3.95Å; I73-R90 HydrophobicContact CD1-CG 3.67Å
74R91.1Very high88.3Confident203 Ų20368.4 Ų68.477%0.76636%0.359SS*.Hα-helixtrans-65.5-27.3-173.8-67.3177.467.4178.51.6113.7D70 C71D70-R74 WeakPolarHBondContact O-CG 3.25Å; D70-R74 PolarHBondContact O-N 3.21Å; D70-R74 VanDerWaalsContact OD1-CD 3.23Å; D70-R74 WeakPolarHBondContact OD1-CD 3.27Å; C71-R74 PolarHBondContact O-N 3.24Å
75G89.4Confident88.5Confident27 Ų2771.1 Ų71.128%0.27837%0.366SS..Hα-helixtrans-97.3-14.7-178.100000115.7R37 C71 I73R37-G75 PolarHBondContact NH2-O 2.85Å; C71-G75 PolarHBondContact O-N 2.76Å; I73-G75 PolarHBondContact O-N 3Å
76M89.6Confident88.7Confident0 Ų068 Ų680%035%0.347CS..Hα-helixtrans-116.9-22.4179.7-71.9-61.1-61.400114.3V34 F35 F38 A72 I73 G78 H79 V81 V86 V88V34-M76 HydrophobicContact CB-CE 4.38Å; V34-M76 HydrophobicContact CG1-CE 3.56Å; V34-M76 HydrophobicContact CG1-SD 3.71Å; F35-M76 HydrophobicContact CE1-CB 4.38Å; F35-M76 HydrophobicContact CE1-CG 4.19Å; F35-M76 HydrophobicContact CZ-CB 4.4Å; F35-M76 HydrophobicContact CZ-CG 4.34Å; F38-M76 HydrophobicContact CD2-CG 4.19Å; F38-M76 HydrophobicContact CE2-CG 3.2Å; F38-M76 HydrophobicContact CE2-SD 3.64Å; F38-M76 HydrophobicContact CZ-CG 3.49Å; F38-M76 VanDerWaalsContact CZ-CG 3.49Å; F38-M76 HydrophobicContact CZ-SD 3.86Å; A72-M76 VanDerWaalsContact O-CB 3.26Å; A72-M76 WeakPolarHBondContact O-CB 3.42Å; A72-M76 PolarHBondContact O-N 3.31Å; I73-M76 PolarHBondContact O-N 3.29Å; M76-G78 PolarHBondContact O-N 3.05Å; M76-H79 HydrophobicContact CE-CB 4.19Å; M76-H79 VanDerWaalsContact O-CB 3.27Å; M76-H79 WeakPolarHBondContact O-CB 3.21Å; M76-H79 PolarHBondContact O-N 2.95Å; M76-H79 HydrophobicContact SD-CB 4.34Å; M76-V81 HydrophobicContact CE-CG2 3.55Å; M76-V86 HydrophobicContact CE-CG2 4.07Å; M76-V86 WeakPolarHBondContact O-CG2 3.44Å; M76-V88 HydrophobicContact CB-CB 4.47Å; M76-V88 HydrophobicContact CB-CG2 3.64Å
77D90.5Very high88.8Confident76 Ų7671 Ų7141%0.40635%0.353SS..THydrogen-bonded Turntrans-62.8121.2175.8-167.955.2000109.6I73 R87 V88I73-D77 WeakPolarHBondContact O-CB 3.43Å; I73-D77 PolarHBondContact O-N 2.9Å; D77-R87 VanDerWaalsContact OD1-CA 3.3Å; D77-R87 WeakPolarHBondContact OD1-CA 3.15Å; D77-R87 WeakPolarHBondContact OD1-CG 3.42Å; D77-V88 HydrophobicContact CB-CB 4.3Å; D77-V88 PolarHBondContact OD1-N 3.18Å
78G88Confident88.9Confident37 Ų3760.7 Ų60.738%0.38131%0.314SS..THydrogen-bonded Turntrans83.94-17400000114.6M76 E85 V86M76-G78 PolarHBondContact O-N 3.05Å; G78-E85 VanDerWaalsContact C-CG 3.47Å; G78-E85 WeakPolarHBondContact O-CG 3.42Å; G78-V86 PolarHBondContact N-O 3.3Å
79H87.1Confident89Confident84 Ų8462.8 Ų62.839%0.38932%0.324SS..EExtended strand (participates in β ladder)trans-81.2142.8178.1-156.4-71.3000111.1M76 V81 E85 V86M76-H79 HydrophobicContact CE-CB 4.19Å; M76-H79 VanDerWaalsContact O-CB 3.27Å; M76-H79 WeakPolarHBondContact O-CB 3.21Å; M76-H79 PolarHBondContact O-N 2.95Å; M76-H79 HydrophobicContact SD-CB 4.34Å; H79-V81 PolarHBondContact O-N 3.32Å; H79-E85 WeakPolarHBondContact O-CA 3.39Å; H79-V86 WeakPolarHBondContact O-CG2 3.42Å; H79-V86 PolarHBondContact O-N 2.86Å
80K84.8Confident88.9Confident146 Ų14668.6 Ų68.664%0.63535%0.346SS*.EExtended strand (participates in β ladder)trans-77117.1170.1-76.7-177.7178.2178.50110.5R84K80-R84 CarbonylContact C-O 3.53Å; K80-R84 VanDerWaalsContact CA-O 3.28Å; K80-R84 WeakPolarHBondContact CA-O 3.45Å
81V81Confident88.6Confident14 Ų1466.8 Ų66.89%0.08534%0.339CS..EExtended strand (participates in β ladder)trans-113.3120.4168-1790000106.7M76 H79 G83 R84 V86M76-V81 HydrophobicContact CE-CG2 3.55Å; H79-V81 PolarHBondContact O-N 3.32Å; V81-G83 PolarHBondContact O-N 3.24Å; V81-G83 VanDerWaalsContact O-N 3.14Å; V81-R84 PolarHBondContact N-O 2.85Å; V81-R84 PolarHBondContact O-N 3.4Å; V81-R84 VanDerWaalsContact O-O 3.05Å; V81-V86 HydrophobicContact CB-CG1 3.67Å; V81-V86 HydrophobicContact CB-CG2 4.49Å; V81-V86 HydrophobicContact CG2-CB 4.39Å; V81-V86 HydrophobicContact CG2-CG1 3.77Å; V81-V86 HydrophobicContact CG2-CG2 3.67Å
82D79.1Confident87.7Confident69 Ų6972.2 Ų72.237%0.36935%0.354SS..THydrogen-bonded Turntrans59.531.7172.5-163.6-127.8000113.9A23 R25 R84A23-D82 HydrophobicContact CB-CB 4.19Å; A23-D82 WeakPolarHBondContact CB-OD1 3.46Å; R25-D82 WeakPolarHBondContact CD-OD1 3.34Å; R25-D82 VanDerWaalsContact CG-OD1 3.26Å; R25-D82 WeakPolarHBondContact CG-OD1 3.25Å; R25-D82 IonicContact CZ-OD1 3.22Å; R25-D82 VanDerWaalsContact CZ-OD1 3.22Å; R25-D82 IonicContact CZ-OD2 3.34Å; R25-D82 IonicContact NE-OD1 3.18Å; R25-D82 PolarHBondContact NE-OD1 2.69Å; R25-D82 IonicContact NE-OD2 3.87Å; R25-D82 PolarHBondContact NE-OD2 2.78Å; R25-D82 VanDerWaalsContact NE-OD2 3.1Å; R25-D82 PolarHBondContact NH2-O 2.95Å; R25-D82 IonicContact NH2-OD1 3.1Å; R25-D82 PolarHBondContact NH2-OD1 2.84Å; R25-D82 VanDerWaalsContact NH2-OD1 3.1Å; R25-D82 IonicContact NH2-OD2 2.77Å; R25-D82 PolarHBondContact NH2-OD2 3.05Å; D82-R84 VanDerWaalsContact C-N 3.35Å
83G83.3Confident86.5Confident70 Ų7081.2 Ų81.272%0.72239%0.39SS*.THydrogen-bonded Turntrans86-3.2-17900000115.1V81V81-G83 PolarHBondContact O-N 3.24Å; V81-G83 VanDerWaalsContact O-N 3.14Å
84R84.4Confident85Confident94 Ų9482.5 Ų82.536%0.35541%0.409SS..EExtended strand (participates in β ladder)trans-113.8142.3176-72-174.1161.6169.8-3.4111.6L22 K80 V81 D82 V86L22-R84 PolarHBondContact O-NH1 3.38Å; K80-R84 CarbonylContact C-O 3.53Å; K80-R84 VanDerWaalsContact CA-O 3.28Å; K80-R84 WeakPolarHBondContact CA-O 3.45Å; V81-R84 PolarHBondContact N-O 2.85Å; V81-R84 PolarHBondContact O-N 3.4Å; V81-R84 VanDerWaalsContact O-O 3.05Å; D82-R84 VanDerWaalsContact C-N 3.35Å; R84-V86 PolarHBondContact O-N 3.38Å
85E90.3Very high83.6Confident110 Ų11077 Ų7751%0.51439%0.389SS..EExtended strand (participates in β ladder)trans-79.5112.3176.3-156.3-179.9107.600109.9N21 G78 H79N21-E85 WeakPolarHBondContact CB-O 3.12Å; N21-E85 PolarHBondContact ND2-O 2.75Å; G78-E85 VanDerWaalsContact C-CG 3.47Å; G78-E85 WeakPolarHBondContact O-CG 3.42Å; H79-E85 WeakPolarHBondContact O-CA 3.39Å
86V91.5Very high82.1Confident3 Ų380.5 Ų80.52%0.01841%0.406CS..EExtended strand (participates in β ladder)trans-85.1143.4-177.6-61.10000110.7V19 D20 L22 M76 G78 H79 V81 R84 V88V19-V86 HydrophobicContact CG1-CB 4.13Å; D20-V86 WeakPolarHBondContact O-CA 3.23Å; L22-V86 HydrophobicContact CD2-CG1 3.61Å; L22-V86 HydrophobicContact CG-CG1 4.17Å; M76-V86 HydrophobicContact CE-CG2 4.07Å; M76-V86 WeakPolarHBondContact O-CG2 3.44Å; G78-V86 PolarHBondContact N-O 3.3Å; H79-V86 WeakPolarHBondContact O-CG2 3.42Å; H79-V86 PolarHBondContact O-N 2.86Å; V81-V86 HydrophobicContact CB-CG1 3.67Å; V81-V86 HydrophobicContact CB-CG2 4.49Å; V81-V86 HydrophobicContact CG2-CB 4.39Å; V81-V86 HydrophobicContact CG2-CG1 3.77Å; V81-V86 HydrophobicContact CG2-CG2 3.67Å; R84-V86 PolarHBondContact O-N 3.38Å; V86-V88 HydrophobicContact CG2-CG2 4.38Å
87R92.3Very high80.6Confident137 Ų13785.9 Ų85.952%0.51744%0.439SS..EExtended strand (participates in β ladder)trans-108.4123.9175.2-144.9169.590.4-176.67.4109.7V19 D20 D77 Q89V19-R87 CarbonylContact C-O 3.49Å; V19-R87 WeakPolarHBondContact CA-O 3.39Å; D20-R87 HydrophobicContact CB-CB 4.23Å; D20-R87 PolarHBondContact N-O 3.3Å; D20-R87 PolarHBondContact O-N 3.19Å; D77-R87 VanDerWaalsContact OD1-CA 3.3Å; D77-R87 WeakPolarHBondContact OD1-CA 3.15Å; D77-R87 WeakPolarHBondContact OD1-CG 3.42Å; R87-Q89 VanDerWaalsContact NH2-NE2 3.16Å
88V93.2Very high78.8Confident1 Ų188 Ų881%0.00646%0.457CS..EExtended strand (participates in β ladder)trans-116121.9-176.7-172.70000109.1L17 K18 V19 F35 I73 M76 D77 V86L17-V88 HydrophobicContact CB-CG1 4.34Å; L17-V88 HydrophobicContact CD1-CG1 3.96Å; K18-V88 WeakPolarHBondContact O-CA 3.22Å; V19-V88 HydrophobicContact CG1-CG2 4.2Å; V19-V88 HydrophobicContact CG2-CG1 4.5Å; V19-V88 HydrophobicContact CG2-CG2 4.36Å; F35-V88 HydrophobicContact CE1-CG1 4.12Å; F35-V88 HydrophobicContact CE1-CG2 4.28Å; F35-V88 HydrophobicContact CZ-CG1 4.43Å; F35-V88 HydrophobicContact CZ-CG2 3.92Å; I73-V88 HydrophobicContact CG1-CG1 3.95Å; M76-V88 HydrophobicContact CB-CB 4.47Å; M76-V88 HydrophobicContact CB-CG2 3.64Å; D77-V88 HydrophobicContact CB-CB 4.3Å; D77-V88 PolarHBondContact OD1-N 3.18Å; V86-V88 HydrophobicContact CG2-CG2 4.38Å
89Q92.2Very high76.8Confident84 Ų8492.2 Ų92.239%0.39347%0.471SS..EExtended strand (participates in β ladder)trans-138.2155.8-176.6-59.4-169.4-20.300110.9L17 K18 R87 A91L17-Q89 CarbonylContact C-O 3.59Å; L17-Q89 WeakPolarHBondContact CA-O 3.08Å; K18-Q89 PolarHBondContact N-O 3.36Å; K18-Q89 PolarHBondContact O-N 2.87Å; R87-Q89 VanDerWaalsContact NH2-NE2 3.16Å; Q89-A91 PolarHBondContact O-N 3.35Å
90R90.4Very high74.9Confident123 Ų12399.1 Ų99.146%0.46449%0.494SS..EExtended strand (participates in β ladder)trans-60.2128.9168.2-77.4-166-171.6-152.6-0.2110.2L17 D66 I73 K92L17-R90 HydrophobicContact CD2-CG 4.33Å; D66-R90 IonicContact OD1-CZ 3.1Å; D66-R90 IonicContact OD1-NH1 3.9Å; D66-R90 IonicContact OD1-NH2 2.73Å; D66-R90 PolarHBondContact OD1-NH2 3.01Å; D66-R90 IonicContact OD2-CZ 3.52Å; D66-R90 IonicContact OD2-NH1 2.69Å; D66-R90 PolarHBondContact OD2-NH1 3.35Å; D66-R90 IonicContact OD2-NH2 2.78Å; D66-R90 PolarHBondContact OD2-NH2 2.98Å; I73-R90 HydrophobicContact CD1-CG 3.67Å; R90-K92 PolarHBondContact O-N 2.93Å
91A85.6Confident73.2Confident22 Ų22101.8 Ų101.818%0.18250%0.5CS..  trans-74.8119.9174.500000109.4S16 K18 F60 Q89 Y93S16-A91 VanDerWaalsContact O-CB 3.32Å; S16-A91 WeakPolarHBondContact O-CB 2.99Å; S16-A91 PolarHBondContact O-N 3.48Å; K18-A91 HydrophobicContact CB-CB 4.27Å; F60-A91 HydrophobicContact CD1-CB 4.1Å; F60-A91 HydrophobicContact CE1-CB 4.15Å; Q89-A91 PolarHBondContact O-N 3.35Å; A91-Y93 PolarHBondContact O-N 2.97Å
92K72.8Confident71.5Confident189 Ų189112 Ų11282%0.82254%0.537SS*.SBendtrans-70.2-17.6175.4-77.9-175.4174.2-178.20113.7R90R90-K92 PolarHBondContact O-N 2.93Å
93Y66.8Low69.9Low190 Ų190119.6 Ų119.675%0.74556%0.56SS**SBendtrans-126.4129.4-172.2-52.4-68.6000110.1A91A91-Y93 PolarHBondContact O-N 2.97Å
94G62.2Low68.1Low53 Ų53121 Ų12155%0.54656%0.559SS.*  trans-63163.7167.700000110.9
95R61.6Low66.7Low89 Ų89121.7 Ų121.734%0.33657%0.574SS.*  trans-49.8126.6179-160.9-178.8-165-149.16.2108.8I11 Y45 T97I11-R95 HydrophobicContact CD1-CB 4.2Å; Y45-R95 HydrophobicContact CD1-CG 4.33Å; Y45-R95 HydrophobicContact CE1-CG 4.44Å; Y45-R95 VanDerWaalsContact CE2-NH2 3.34Å; R95-T97 PolarHBondContact O-N 3.25Å
96P57.2Low64.8Low100 Ų100121.5 Ų121.565%0.64958%0.58SS**  trans-60.1104.7177.722.6-30.9000107.2P98P96-P98 WeakPolarHBondContact O-CD 3.39Å
97T59.2Low62.7Low112 Ų112126.3 Ų126.369%0.68761%0.611SS**  trans-65121.7172.957.10000105.2R95 N99R95-T97 PolarHBondContact O-N 3.25Å; T97-N99 PolarHBondContact O-N 3.13Å
98P51.7Low60.5Low122 Ų122131.8 Ų131.879%0.79263%0.632SS**  trans-57.8112.1176.524-31.3000105.6P96 R100P96-P98 WeakPolarHBondContact O-CD 3.39Å; P98-R100 VanDerWaalsContact C-N 3.3Å; P98-R100 PolarHBondContact O-N 3.41Å
99N45.3Very low58Low125 Ų125142.1 Ų142.167%0.66867%0.671SS**  trans-8.186.4177.2-169.810.1000110.8T97 R101T97-N99 PolarHBondContact O-N 3.13Å; N99-R101 PolarHBondContact O-N 3.25Å; N99-R101 WeakPolarHBondContact OD1-CA 3.07Å; N99-R101 PolarHBondContact OD1-N 3.28Å
100R48.7Very low55.5Low228 Ų228146.2 Ų146.286%0.8670%0.696SS**  trans-67.481.8155.8-165.3-177.3-165.6-170.85.2100.3P98 R102P98-R100 VanDerWaalsContact C-N 3.3Å; P98-R100 PolarHBondContact O-N 3.41Å; R100-R102 PolarHBondContact O-N 3.03Å
101R47.6Very low53.3Low203 Ų203143.3 Ų143.377%0.76670%0.703SS**  trans-38.7105.9166.7-78.8-176.7170-165.5-2.3100.7N99 R103N99-R101 PolarHBondContact O-N 3.25Å; N99-R101 WeakPolarHBondContact OD1-CA 3.07Å; N99-R101 PolarHBondContact OD1-N 3.28Å; R101-R103 PolarHBondContact O-N 2.98Å
102R46.2Very low51.2Low227 Ų227154 Ų15486%0.85774%0.739SS**  trans-48.1111163.3-87.1178.4160.4-125.30.799.8R100 S104R100-R102 PolarHBondContact O-N 3.03Å; R102-S104 PolarHBondContact O-N 3.16Å
103R46Very low49.7Very low229 Ų229153.6 Ų153.686%0.86473%0.732SS**  trans-53.388148.9-83-178.7179-167.8-0.4100.9R101 V105R101-R103 PolarHBondContact O-N 2.98Å; R103-V105 HydrophobicContact CB-CG2 3.96Å; R103-V105 PolarHBondContact O-N 3.17Å
104S45.9Very low48.5Very low99 Ų99149.4 Ų149.469%0.69273%0.731SS**  trans-54.781.1138.8-54.20000101.6R102 T106R102-S104 PolarHBondContact O-N 3.16Å; S104-T106 PolarHBondContact O-N 3.5Å
105V53.1Low47.5Very low110 Ų110155.4 Ų155.467%0.66774%0.737SS**  trans-55.290.7148.9-178.2000099.8R103 P107R103-V105 HydrophobicContact CB-CG2 3.96Å; R103-V105 PolarHBondContact O-N 3.17Å; V105-P107 VanDerWaalsContact O-CD 3.28Å; V105-P107 WeakPolarHBondContact O-CD 3.28Å
106T52.4Low46.2Very low105 Ų105156.7 Ų156.764%0.64476%0.76SS**  trans-43.7116.5158.937.70000103S104 R108S104-T106 PolarHBondContact O-N 3.5Å; T106-R108 PolarHBondContact O-N 3.37Å
107P47.5Very low45.4Very low104 Ų104159.6 Ų159.668%0.67576%0.763SS**  trans-54.4118.8172.9-12.823.3000103.6V105 R109V105-P107 VanDerWaalsContact O-CD 3.28Å; V105-P107 WeakPolarHBondContact O-CD 3.28Å; P107-R109 HydrophobicContact CB-CB 3.99Å; P107-R109 PolarHBondContact O-N 3.14Å
108R44.8Very low44.7Very low252 Ų252160 Ų16095%0.95177%0.77SS**  trans-64.280.4165.7-65.5-175.7104.9173.76105T106T106-R108 PolarHBondContact O-N 3.37Å
109R40.6Very low44.2Very low218 Ų218158.2 Ų158.282%0.82376%0.76SS**  trans-134.372.5-175.8-160.4-177.4-164.6-152.93.6107.9P107P107-R109 HydrophobicContact CB-CB 3.99Å; P107-R109 PolarHBondContact O-N 3.14Å
110N41.1Very low43.9Very low171 Ų171155.3 Ų155.391%0.91476%0.76SS**SBendtrans170.1122141.6-107.9-2.6000108.5
111G43.1Very low43.5Very low61 Ų61156.1 Ų156.163%0.62976%0.763SS**  cis-167.3140.12.200000108R113G111-R113 PolarHBondContact O-N 3Å
112R42.2Very low43.1Very low247 Ų247152.1 Ų152.193%0.93276%0.757SS**  trans-62.184.8153.4-68.8-176.1179.5-162-0.1106.1S114R112-S114 PolarHBondContact O-N 2.77Å
113R41.1Very low42.6Very low181 Ų181151.6 Ų151.668%0.68376%0.755SS**  trans-82.273.1172.8-161.4-179.1-148.1-177.212.2106.9G111 R115G111-R113 PolarHBondContact O-N 3Å; R113-R115 HydrophobicContact CG-CG 3.87Å; R113-R115 VanDerWaalsContact NE-NE 3.1Å; R113-R115 VanDerWaalsContact NH2-NH1 3.19Å; R113-R115 PolarHBondContact O-N 3.36Å
114S41.5Very low42.1Very low102 Ų102152.4 Ų152.471%0.71376%0.758SS**  trans-67.486.4161.4-50.30000106.8R112 S116R112-S114 PolarHBondContact O-N 2.77Å; S114-S116 PolarHBondContact O-N 3.1Å
115R41Very low41.8Very low178 Ų178153.3 Ų153.367%0.67276%0.764SS**  trans-94.979.3167.6-87.5176.6172.7-171.2-7.7108.2R113 F117R113-R115 HydrophobicContact CG-CG 3.87Å; R113-R115 VanDerWaalsContact NE-NE 3.1Å; R113-R115 VanDerWaalsContact NH2-NH1 3.19Å; R113-R115 PolarHBondContact O-N 3.36Å; R115-F117 VanDerWaalsContact C-N 3.25Å; R115-F117 PolarHBondContact O-N 2.61Å; R115-F117 VanDerWaalsContact O-N 3.15Å
116S35Very low41.3Very low117 Ų117154.2 Ų154.282%0.81877%0.772SS**  trans-70.591.5151.5-24.60000106.2S114S114-S116 PolarHBondContact O-N 3.1Å
117F39.9Very low40.7Very low161 Ų161159.5 Ų159.571%0.70678%0.78SS**  trans-134.695.7161.3178.8-95.2000106.9R115 S119R115-F117 VanDerWaalsContact C-N 3.25Å; R115-F117 PolarHBondContact O-N 2.61Å; R115-F117 VanDerWaalsContact O-N 3.15Å; F117-S119 WeakPolarHBondContact CE1-OG 3.49Å; F117-S119 WeakPolarHBondContact CZ-OG 3.26Å; F117-S119 PolarHBondContact O-N 2.77Å
118S43.5Very low40.4Very low120 Ų120165.2 Ų165.284%0.83979%0.788SS**  trans-73.8110.9161.9-52.70000107.3
119S41.2Very low39.9Very low85 Ų85162.6 Ų162.659%0.59479%0.789SS**  trans176.4146.314058.80000111.5F117F117-S119 WeakPolarHBondContact CE1-OG 3.49Å; F117-S119 WeakPolarHBondContact CZ-OG 3.26Å; F117-S119 PolarHBondContact O-N 2.77Å
120G40.4Very low39.8Very low63 Ų63158.9 Ų158.965%0.64979%0.785SS**  trans98.495.4166.200000113
121R38.9Very low40Very low246 Ų246155.3 Ų155.393%0.92877%0.766SS**  53.3103.5100.6-71.4-178.4-166.6-1763.9112
122D39.8Very low39.8Very low119 Ų119161.5 Ų161.564%0.63677%0.771SS**  169.3115.1104.9-150.7-112.7000110.7
123R37Very low39.5Very low216 Ų216161.2 Ų161.282%0.81577%0.771SS**  trans48.593.2139.9-56.4176-146.9-166.60.1118.7
124R33.7Very low39.6Very low246 Ų246162.9 Ų162.993%0.92878%0.778SS**  trans-121.194.4142.1-88.8-172.1-175.6-154.91.1110.8
125S41.1Very low39.7Very low117 Ų117166 Ų16682%0.81879%0.786SS**  trans-135.3121.9140.4-74.90000105.3
126P42.4Very low40Very low129 Ų129162.4 Ų162.484%0.83879%0.785SS**  -137.2155114.127.5-9.7000113.9
127R39.2Very low40.4Very low216 Ų216162.9 Ų162.982%0.81579%0.789SS**  trans-72.9149.8-172.4-67.7172.1169.7-171.1-3.3111.7
128R41.5Very low40.9Very low224 Ų224160.3 Ų160.385%0.84579%0.791SS**  trans62.999.6138.2-66.3174.3-172-145.91.7117.3N130R128-N130 PolarHBondContact O-N 3.1Å
129M34.1Very low41Very low198 Ų198160 Ų16098%0.97579%0.786SS**  trans-56.1117134.4-81.1178.6147.400108.1
130N39.3Very low40.7Very low139 Ų139167.2 Ų167.274%0.74380%0.8SS**  175.9122.6121.2-164.616.8000108.3R128R128-N130 PolarHBondContact O-N 3.1Å
131D44.1Very low40.6Very low96 Ų96173 Ų17351%0.51381%0.809SS.*  trans141.3128.7146.1-85-153.5000110.5
132R40Very low40.3Very low191 Ų191171 Ų17172%0.72180%0.803SS**  cis-171.8145.4-1-118.6173.4-141.5169.122.7105.6R134R132-R134 PolarHBondContact O-N 3.49Å
133Y34.4Very low40.4Very low241 Ų241169.2 Ų169.295%0.94580%0.8SS**  trans-61.891151.1-70-90.6000108.1
134R43.2Very low40.7Very low216 Ų216170 Ų17082%0.81580%0.804SS**  trans-161.290.9156-119.6-178.6-166.9-1633.4109.9R132R132-R134 PolarHBondContact O-N 3.49Å
135L43.5Very low41.2Very low168 Ų168162.9 Ų162.988%0.8879%0.791SS**  trans48.4148.3139.5-61.6171.2000121.5
136P47.9Very low41.6Very low103 Ų103165.3 Ų165.367%0.66979%0.794SS**  trans-98.9162.2-157.738.7-31.7000113.5
137S43.2Very low41.8Very low127 Ų127164.3 Ų164.389%0.88879%0.79SS**  trans-143110.7152.4-74.20000109.9
138S50.3Low42.4Very low107 Ų107165.6 Ų165.675%0.74880%0.795SS**  trans-58.7-172169.2-55.60000112.8
139P45.1Very low42.9Very low113 Ų113162.2 Ų162.273%0.73479%0.789SS**  -133.5170.3-56.834.5-17.8000113.4
140R36.2Very low43.5Very low237 Ų237163.2 Ų163.289%0.89478%0.782SS**  trans-4129.7152.3-69.9176.3177.5-167-2.2118.7
141H37.1Very low44.1Very low183 Ų183171.7 Ų171.785%0.84780%0.803SS**  trans-135.4113.4142.1-94.2-103.6000107.1
142Y32.6Very low44.1Very low205 Ų205175.5 Ų175.580%0.80482%0.818SS**  55.4121.295.4-152.7-109.1000111
143S42Very low44.3Very low82 Ų82174.6 Ų174.657%0.57382%0.823SS**  178.8147.959.2-17.30000108.9
144R43.8Very low44.9Very low233 Ų233170.9 Ų170.988%0.87982%0.816SS**  157.8108.8126.6-93.8175.5166.9161.6-3.4108.7
145S44.1Very low45Very low96 Ų96168.3 Ų168.367%0.67182%0.816SS**  92.4149.672.2-66.80000111.5
146L48.9Very low45.1Very low168 Ų168168.3 Ų168.388%0.8881%0.812SS**  trans102.1115.3174-56.8175000111.9
147S47.7Very low44.9Very low108 Ų108172.7 Ų172.776%0.75582%0.822SS**  cis-156.8140.419.8-70.20000111.6
148R51.4Low45Very low243 Ų243175.9 Ų175.992%0.91782%0.817SS**  trans-60.1150154.5-81.5174.8165.9-162.6-5108.7
149E52.2Low44.6Very low153 Ų153181.2 Ų181.272%0.71582%0.822SS**  178.5138.6111.7-166.2149.9121.600113.1
150R45.6Very low44.5Very low218 Ų218186.9 Ų186.982%0.82383%0.83SS**  trans63.2126.2160.1-73.5159.4-174.3-101.7-7.1117.2
151R52.8Low45.3Very low317 Ų317182.4 Ų182.4100%1.19682%0.824SS**  -165050.6-158.6179.7-169.3-179.22.5110.1

Retrieved 151 of 151 residues in 38.4 ms (Link to these results)