A0A077ZJR1_TRITR Loading...

Aminomethyltransferase

AlphaFold DB , UniProt , Accession A0A077ZJR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 79 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
1M84.6Confident89.5Confident21 Ų2188.6 Ų88.610%0.10345%0.447CS..  0114.80-173.8-175.373.800108.1E3 G5 L7 Y38 S39 I57 M62 V64M1-E3 HydrophobicContact CG-CB 4.44Å; M1-G5 WeakPolarHBondContact CE-O 3.42Å; M1-L7 HydrophobicContact CB-CD1 4.17Å; M1-L7 HydrophobicContact CB-CG 4.36Å; M1-L7 HydrophobicContact SD-CD2 4.3Å; M1-Y38 WeakPolarHBondContact O-CB 3.34Å; M1-S39 PolarHBondContact N-O 2.87Å; M1-S39 PolarHBondContact O-N 2.95Å; M1-I57 HydrophobicContact CE-CD1 3.99Å; M1-I57 HydrophobicContact SD-CD1 3.7Å; M1-M62 HydrophobicContact SD-CB 3.93Å; M1-M62 HydrophobicContact SD-CE 3.76Å; M1-M62 HydrophobicContact SD-CG 4.25Å; M1-V64 HydrophobicContact CB-CG1 4.05Å; M1-V64 HydrophobicContact CG-CG1 4.43Å
2T84.2Confident90.1Very high121 Ų12184 Ų8474%0.74243%0.428SS*.  trans-87.7-15.1-177.947.30000113.6Y38T2-Y38 HydrophobicContact CG2-CD1 4.1Å; T2-Y38 HydrophobicContact CG2-CG 4.22Å
3E84.1Confident90.7Very high101 Ų10178 Ų7847%0.47240%0.398SS..SBendtrans-72.2167.1172.5-71.2-166.6-152.700113M1 G5 M62M1-E3 HydrophobicContact CG-CB 4.44Å; E3-G5 PolarHBondContact O-N 3.43Å; E3-M62 HydrophobicContact CB-CE 3.75Å; E3-M62 HydrophobicContact CG-CE 4.39Å; E3-M62 VanDerWaalsContact OE2-CE 3.31Å; E3-M62 WeakPolarHBondContact OE2-CE 3.11Å
4K81.4Confident91.1Very high207 Ų20779.1 Ų79.190%0.940%0.395SS*.SBendtrans-62.8130.7175.2-69.1-172.7-180-1790110.8
5G84.8Confident91.6Very high35 Ų3574.7 Ų74.736%0.36137%0.372SS..SBendtrans138.9163.7174.300000111.1M1 E3 S39M1-G5 WeakPolarHBondContact CE-O 3.42Å; E3-G5 PolarHBondContact O-N 3.43Å; G5-S39 WeakPolarHBondContact O-CB 3.34Å; G5-S39 PolarHBondContact O-OG 3.1Å
6V89.5Confident91.9Very high73 Ų7375.4 Ų75.444%0.44238%0.382SS..  trans-115.4125.7-180-176.80000108.9R8 S39V6-R8 PolarHBondContact O-N 2.8Å; V6-S39 WeakPolarHBondContact CA-OG 3.48Å
7L94.1Very high92.2Very high8 Ų872.2 Ų72.24%0.04237%0.366CS..  trans-69.9125.9169.5-65.3173.7000107.8M1 I27 G30 A41 V55 I57 V64M1-L7 HydrophobicContact CB-CD1 4.17Å; M1-L7 HydrophobicContact CB-CG 4.36Å; M1-L7 HydrophobicContact SD-CD2 4.3Å; L7-I27 HydrophobicContact CB-CD1 4.18Å; L7-I27 HydrophobicContact CD2-CD1 4.02Å; L7-G30 CarbonylContact O-C 3.56Å; L7-G30 VanDerWaalsContact O-CA 3.23Å; L7-G30 WeakPolarHBondContact O-CA 3.48Å; L7-A41 HydrophobicContact CB-CB 3.98Å; L7-A41 HydrophobicContact CD1-CB 3.72Å; L7-A41 HydrophobicContact CG-CB 4.47Å; L7-V55 HydrophobicContact CD2-CB 4.21Å; L7-V55 HydrophobicContact CD2-CG1 3.95Å; L7-V55 HydrophobicContact CD2-CG2 4.21Å; L7-I57 HydrophobicContact CD2-CD1 4.19Å; L7-V64 HydrophobicContact CD2-CG1 4.39Å
8R94Very high92.3Very high140 Ų14073.8 Ų73.853%0.52839%0.392SS..  trans-113.8160.6-177.2-66.7-175.5-68.1139.63.5110.5V6 L11 I27V6-R8 PolarHBondContact O-N 2.8Å; R8-L11 HydrophobicContact CB-CD1 4.07Å; R8-L11 HydrophobicContact CB-CG 4.18Å; R8-L11 WeakPolarHBondContact O-CG 3.32Å; R8-I27 WeakPolarHBondContact O-CG2 3.34Å
9N96Very high92.5Very high93 Ų9377.6 Ų77.650%0.49741%0.407SS..THydrogen-bonded Turntrans-58.4150.2173.6-57.90.4000110.3L11 S29 G30N9-L11 PolarHBondContact O-N 2.92Å; N9-L11 VanDerWaalsContact O-N 3.12Å; N9-S29 VanDerWaalsContact OD1-CA 3.31Å; N9-S29 WeakPolarHBondContact OD1-CA 3.31Å; N9-G30 PolarHBondContact OD1-N 2.85Å
10E96.5Very high92.6Very high158 Ų15876.3 Ų76.374%0.73841%0.414SS*.THydrogen-bonded Turntrans66.54.4176.5-54.2-179.9163.600115.7I26 I27E10-I26 HydrophobicContact CB-CD1 4.29Å; E10-I27 PolarHBondContact N-O 2.92Å
11L95.7Very high92.7Very high18 Ų1877 Ų779%0.09442%0.417CS..  trans-67.5132.6173-68.8-177.2000110.8R8 N9 I27 V55 I57R8-L11 HydrophobicContact CB-CD1 4.07Å; R8-L11 HydrophobicContact CB-CG 4.18Å; R8-L11 WeakPolarHBondContact O-CG 3.32Å; N9-L11 PolarHBondContact O-N 2.92Å; N9-L11 VanDerWaalsContact O-N 3.12Å; L11-I27 HydrophobicContact CB-CB 4.47Å; L11-I27 HydrophobicContact CB-CD1 3.95Å; L11-I27 PolarHBondContact O-N 2.95Å; L11-V55 HydrophobicContact CB-CG1 3.9Å; L11-V55 HydrophobicContact CD1-CG1 3.96Å; L11-I57 HydrophobicContact CD1-CG1 4.28Å
12P96.4Very high93.3Very high33 Ų3384.2 Ų84.221%0.21445%0.45CS..EExtended strand (participates in β ladder)trans-64.3139.3175-21.532.6000112.1E24 G25P12-E24 HydrophobicContact CB-CG 4.11Å; P12-G25 WeakPolarHBondContact CA-O 3.43Å
13V97.2Very high93.9Very high6 Ų680.8 Ų80.84%0.03643%0.426CS..EExtended strand (participates in β ladder)trans-115.4114.6173.2-172.70000108.4E24 G25 I27 A43 V45 A53 I54 V55V13-E24 CarbonylContact O-C 3.55Å; V13-E24 WeakPolarHBondContact O-CA 3.25Å; V13-G25 PolarHBondContact N-O 2.9Å; V13-G25 PolarHBondContact O-N 3.42Å; V13-I27 HydrophobicContact CG2-CD1 4.27Å; V13-I27 HydrophobicContact CG2-CG1 3.67Å; V13-A43 HydrophobicContact CG2-CB 4.02Å; V13-V45 HydrophobicContact CB-CG1 4.29Å; V13-V45 HydrophobicContact CG1-CG1 4.23Å; V13-A53 HydrophobicContact CG1-CB 3.72Å; V13-I54 CarbonylContact C-O 3.5Å; V13-I54 WeakPolarHBondContact CA-O 3.27Å; V13-V55 HydrophobicContact CG1-CG2 4.47Å; V13-V55 HydrophobicContact CG2-CG2 4.2Å
14R97.3Very high94.6Very high94 Ų9481.2 Ų81.236%0.35543%0.428SS..EExtended strand (participates in β ladder)trans-108.7140.8-177.6-66.6-179.7178.4154.52.8111.4H23 E24 I54R14-H23 WeakPolarHBondContact CA-O 3.47Å; R14-E24 HydrophobicContact CG-CG 4.19Å; R14-E24 IonicContact CZ-OE2 3.35Å; R14-E24 IonicContact NE-OE2 2.8Å; R14-E24 PolarHBondContact NE-OE2 3.5Å; R14-E24 IonicContact NH2-OE2 2.97Å; R14-E24 PolarHBondContact NH2-OE2 3.14Å; R14-I54 PolarHBondContact N-O 2.82Å; R14-I54 PolarHBondContact O-N 3.45Å
15F97.7Very high95.4Very high13 Ų1371.9 Ų71.96%0.05739%0.39CS..EExtended strand (participates in β ladder)trans-152163.417165.2-83.7000109.9H23 V45 P46 I49 A53F15-H23 HydrophobicContact CD1-CB 4.13Å; F15-H23 HydrophobicContact CD2-CB 4.24Å; F15-H23 HydrophobicContact CE1-CB 3.62Å; F15-H23 HydrophobicContact CE2-CB 3.74Å; F15-H23 AromaticContact CE2-CD2 3.8Å; F15-H23 AromaticContact CE2-CG 3.97Å; F15-H23 HydrophobicContact CG-CB 4.42Å; F15-H23 HydrophobicContact CZ-CB 3.42Å; F15-H23 VanDerWaalsContact CZ-CB 3.42Å; F15-H23 AromaticContact CZ-CG 3.91Å; F15-H23 PolarHBondContact N-O 2.77Å; F15-H23 VanDerWaalsContact N-O 3.14Å; F15-H23 PolarHBondContact O-N 2.97Å; F15-V45 HydrophobicContact CE1-CB 4.02Å; F15-V45 HydrophobicContact CE1-CG1 4.44Å; F15-P46 HydrophobicContact CZ-CB 4.22Å; F15-P46 WeakPolarHBondContact CZ-O 3.28Å; F15-I49 HydrophobicContact CB-CG1 4.41Å; F15-I49 HydrophobicContact CD1-CB 4.3Å; F15-I49 HydrophobicContact CD1-CD1 3.83Å; F15-I49 HydrophobicContact CD1-CG1 3.84Å; F15-I49 HydrophobicContact CD2-CB 4.1Å; F15-I49 HydrophobicContact CD2-CG1 4.05Å; F15-I49 HydrophobicContact CE1-CB 4.03Å; F15-I49 HydrophobicContact CE1-CD1 4.02Å; F15-I49 HydrophobicContact CE1-CG1 4.05Å; F15-I49 VanDerWaalsContact CE2-CA 3.43Å; F15-I49 HydrophobicContact CE2-CB 3.83Å; F15-I49 HydrophobicContact CE2-CG1 4.25Å; F15-I49 HydrophobicContact CG-CB 4.33Å; F15-I49 HydrophobicContact CG-CD1 4.29Å; F15-I49 HydrophobicContact CG-CG1 3.83Å; F15-I49 HydrophobicContact CZ-CB 3.77Å; F15-I49 HydrophobicContact CZ-CG1 4.24Å; F15-A53 HydrophobicContact CB-CB 4.27Å
16T96.9Very high96Very high85 Ų8573 Ų7352%0.52139%0.388SS..EExtended strand (participates in β ladder)trans-110.4130.4172.9-53.50000108.1G20 N21T16-G20 VanDerWaalsContact CG2-C 3.47Å; T16-N21 WeakPolarHBondContact CA-O 3.26Å
17D96.3Very high96.4Very high21 Ų2169.7 Ų69.711%0.11237%0.367CS..  trans-74.9177.8177.169.517.7000112.3Q19 G20 N21 H23D17-Q19 VanDerWaalsContact CG-OE1 3.31Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.48Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.35Å; D17-Q19 PolarHBondContact OD1-N 3.12Å; D17-Q19 PolarHBondContact OD1-OE1 3.21Å; D17-G20 PolarHBondContact O-N 2.97Å; D17-G20 VanDerWaalsContact O-N 3.12Å; D17-G20 PolarHBondContact OD1-N 2.79Å; D17-N21 PolarHBondContact N-O 2.93Å; D17-N21 PolarHBondContact OD1-N 2.89Å; D17-N21 PolarHBondContact OD1-ND2 2.8Å; D17-N21 WeakPolarHBondContact OD2-CB 3.42Å; D17-N21 PolarHBondContact OD2-ND2 3.31Å; D17-H23 IonicContact OD2-CD2 3.62Å; D17-H23 IonicContact OD2-CE1 3.85Å; D17-H23 IonicContact OD2-NE2 2.79Å; D17-H23 PolarHBondContact OD2-NE2 2.8Å
18A94.8Very high96.6Very high101 Ų10172.5 Ų72.584%0.83539%0.385SS*.THydrogen-bonded Turntrans-65.3-18.8179.600000113.6
19Q95.1Very high96.7Very high146 Ų14669 Ų6968%0.68238%0.382SS*.THydrogen-bonded Turntrans-91.1-4.1178.5-647619.200112.2D17D17-Q19 VanDerWaalsContact CG-OE1 3.31Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.48Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.35Å; D17-Q19 PolarHBondContact OD1-N 3.12Å; D17-Q19 PolarHBondContact OD1-OE1 3.21Å
20G94.6Very high96.7Very high52 Ų5265.5 Ų65.554%0.53637%0.368SS..SBendtrans87.96.9-178.900000114.4T16 D17T16-G20 VanDerWaalsContact CG2-C 3.47Å; D17-G20 PolarHBondContact O-N 2.97Å; D17-G20 VanDerWaalsContact O-N 3.12Å; D17-G20 PolarHBondContact OD1-N 2.79Å
21N96.4Very high96.7Very high90 Ų9061.9 Ų61.948%0.48136%0.357SS..  trans-80.7137.3177.4-47.6-63.3000110.6T16 D17 H23T16-N21 WeakPolarHBondContact CA-O 3.26Å; D17-N21 PolarHBondContact N-O 2.93Å; D17-N21 PolarHBondContact OD1-N 2.89Å; D17-N21 PolarHBondContact OD1-ND2 2.8Å; D17-N21 WeakPolarHBondContact OD2-CB 3.42Å; D17-N21 PolarHBondContact OD2-ND2 3.31Å; N21-H23 PolarHBondContact O-CD2 3.14Å; N21-H23 VanDerWaalsContact O-CD2 3.31Å
22Q96.5Very high96.7Very high173 Ų17365.7 Ų65.781%0.80837%0.373SS*.EExtended strand (participates in β ladder)trans-81.7133.8173.8-71.1-176-26.200110.7
23H97.7Very high96.7Very high50 Ų5064.6 Ų64.623%0.23137%0.366CS..EExtended strand (participates in β ladder)trans-124.2146.4178.2-68.1-77.4000110.6R14 F15 D17 N21 P46R14-H23 WeakPolarHBondContact CA-O 3.47Å; F15-H23 HydrophobicContact CD1-CB 4.13Å; F15-H23 HydrophobicContact CD2-CB 4.24Å; F15-H23 HydrophobicContact CE1-CB 3.62Å; F15-H23 HydrophobicContact CE2-CB 3.74Å; F15-H23 AromaticContact CE2-CD2 3.8Å; F15-H23 AromaticContact CE2-CG 3.97Å; F15-H23 HydrophobicContact CG-CB 4.42Å; F15-H23 HydrophobicContact CZ-CB 3.42Å; F15-H23 VanDerWaalsContact CZ-CB 3.42Å; F15-H23 AromaticContact CZ-CG 3.91Å; F15-H23 PolarHBondContact N-O 2.77Å; F15-H23 VanDerWaalsContact N-O 3.14Å; F15-H23 PolarHBondContact O-N 2.97Å; D17-H23 IonicContact OD2-CD2 3.62Å; D17-H23 IonicContact OD2-CE1 3.85Å; D17-H23 IonicContact OD2-NE2 2.79Å; D17-H23 PolarHBondContact OD2-NE2 2.8Å; N21-H23 PolarHBondContact O-CD2 3.14Å; N21-H23 VanDerWaalsContact O-CD2 3.31Å; H23-P46 HydrophobicContact CB-CB 4.29Å; H23-P46 HydrophobicContact CB-CG 4.09Å
24E97.7Very high96.6Very high109 Ų10969.9 Ų69.951%0.50940%0.4SS..EExtended strand (participates in β ladder)trans-126.5125.4174.8-168.9170.1112.800110P12 V13 R14P12-E24 HydrophobicContact CB-CG 4.11Å; V13-E24 CarbonylContact O-C 3.55Å; V13-E24 WeakPolarHBondContact O-CA 3.25Å; R14-E24 HydrophobicContact CG-CG 4.19Å; R14-E24 IonicContact CZ-OE2 3.35Å; R14-E24 IonicContact NE-OE2 2.8Å; R14-E24 PolarHBondContact NE-OE2 3.5Å; R14-E24 IonicContact NH2-OE2 2.97Å; R14-E24 PolarHBondContact NH2-OE2 3.14Å
25G97.5Very high96.5Very high11 Ų1169.6 Ų69.611%0.11341%0.409CS..EExtended strand (participates in β ladder)trans-116.1-168.1168.900000111.3P12 V13 R44P12-G25 WeakPolarHBondContact CA-O 3.43Å; V13-G25 PolarHBondContact N-O 2.9Å; V13-G25 PolarHBondContact O-N 3.42Å; G25-R44 CarbonylContact C-O 3.56Å; G25-R44 VanDerWaalsContact CA-O 3.27Å; G25-R44 WeakPolarHBondContact CA-O 3.3Å
26I97.8Very high96.3Very high60 Ų6070.3 Ų70.331%0.30841%0.413SS..EExtended strand (participates in β ladder)trans-142137.5-173.3-164.3167.3000111.7E10 T28 A43 R44E10-I26 HydrophobicContact CB-CD1 4.29Å; I26-T28 PolarHBondContact O-N 2.91Å; I26-A43 CarbonylContact O-C 3.57Å; I26-A43 VanDerWaalsContact O-CA 3.25Å; I26-A43 WeakPolarHBondContact O-CA 3.48Å; I26-A43 WeakPolarHBondContact O-CB 3.39Å; I26-R44 HydrophobicContact CG2-CB 4.47Å; I26-R44 PolarHBondContact N-O 3.05Å; I26-R44 PolarHBondContact O-N 2.91Å
27I97.9Very high96.2Very high3 Ų368.6 Ų68.62%0.01541%0.413CS..EExtended strand (participates in β ladder)trans-70.7123.1168.5-72.1169.7000109.1L7 R8 E10 L11 V13 A41 A43 V55L7-I27 HydrophobicContact CB-CD1 4.18Å; L7-I27 HydrophobicContact CD2-CD1 4.02Å; R8-I27 WeakPolarHBondContact O-CG2 3.34Å; E10-I27 PolarHBondContact N-O 2.92Å; L11-I27 HydrophobicContact CB-CB 4.47Å; L11-I27 HydrophobicContact CB-CD1 3.95Å; L11-I27 PolarHBondContact O-N 2.95Å; V13-I27 HydrophobicContact CG2-CD1 4.27Å; V13-I27 HydrophobicContact CG2-CG1 3.67Å; I27-A41 HydrophobicContact CD1-CB 4Å; I27-A41 HydrophobicContact CG1-CB 4.04Å; I27-A41 HydrophobicContact CG2-CB 3.83Å; I27-A43 HydrophobicContact CG1-CB 4.26Å; I27-V55 HydrophobicContact CD1-CG1 3.91Å; I27-V55 HydrophobicContact CD1-CG2 4.12Å
28T98.1Very high96.1Very high66 Ų6671.7 Ų71.741%0.40542%0.424SS..EExtended strand (participates in β ladder)trans-88.1-38.5175.858.10000111.3I26 L42 R44I26-T28 PolarHBondContact O-N 2.91Å; T28-L42 PolarHBondContact N-O 2.78Å; T28-L42 PolarHBondContact OG1-O 2.98Å; T28-L42 VanDerWaalsContact OG1-O 3.14Å; T28-R44 HydrophobicContact CG2-CB 4.25Å
29S97.1Very high96.2Very high66 Ų6667 Ų6746%0.46239%0.385SS..EExtended strand (participates in β ladder)trans-147.7120.8-179.2-54.10000110N9 A41 L42N9-S29 VanDerWaalsContact OD1-CA 3.31Å; N9-S29 WeakPolarHBondContact OD1-CA 3.31Å; S29-A41 CarbonylContact O-C 3.16Å; S29-A41 WeakPolarHBondContact O-CA 3.31Å; S29-L42 PolarHBondContact N-O 2.82Å; S29-L42 PolarHBondContact O-N 3.46Å
30G96.3Very high96.2Very high21 Ų2161.3 Ų61.322%0.21636%0.358CS..EExtended strand (participates in β ladder)trans-125.2143.2177.700000112.5L7 N9 I40L7-G30 CarbonylContact O-C 3.56Å; L7-G30 VanDerWaalsContact O-CA 3.23Å; L7-G30 WeakPolarHBondContact O-CA 3.48Å; N9-G30 PolarHBondContact OD1-N 2.85Å; G30-I40 WeakPolarHBondContact CA-O 3.31Å
31T96.3Very high96.4Very high81 Ų8160 Ų6050%0.49734%0.343SS..EExtended strand (participates in β ladder)trans-157165.1177.2-168.30000112S39 I40T31-S39 WeakPolarHBondContact O-CA 3.2Å; T31-I40 HydrophobicContact CG2-CD1 4.22Å; T31-I40 HydrophobicContact CG2-CG1 3.93Å; T31-I40 PolarHBondContact N-O 2.78Å; T31-I40 PolarHBondContact O-N 2.85Å; T31-I40 VanDerWaalsContact O-O 3.06Å
32F95.9Very high96.5Very high99 Ų9959.1 Ų59.143%0.43434%0.337SS..EExtended strand (participates in β ladder)trans-84.6125.8164.6-174.6-91.4000109P34 G37F32-P34 VanDerWaalsContact O-CD 3.28Å; F32-P34 WeakPolarHBondContact O-CD 3.35Å; F32-G37 WeakPolarHBondContact CZ-O 3.38Å
33S95.1Very high96.6Very high9 Ų953.1 Ų53.16%0.06332%0.317CS..EExtended strand (participates in β ladder)trans-87.5112.7177.31790000110.5T35 L36 G37 Y38S33-T35 VanDerWaalsContact C-N 3.28Å; S33-T35 PolarHBondContact O-N 3.12Å; S33-L36 PolarHBondContact O-N 3.32Å; S33-L36 WeakPolarHBondContact OG-CG 3.18Å; S33-L36 PolarHBondContact OG-N 2.85Å; S33-G37 PolarHBondContact O-N 3.24Å; S33-Y38 WeakPolarHBondContact CB-O 3.23Å; S33-Y38 PolarHBondContact N-O 2.9Å
34P95Very high96.6Very high117 Ų11759.2 Ų59.276%0.7634%0.339SS*.THydrogen-bonded Turntrans-65.1-33.5177.2-20.634.5000112.3F32F32-P34 VanDerWaalsContact O-CD 3.28Å; F32-P34 WeakPolarHBondContact O-CD 3.35Å
35T95.4Very high96.6Very high88 Ų8856.3 Ų56.354%0.5433%0.328SS..THydrogen-bonded Turntrans-68-36.3178.8-49.80000112.5S33 V72S33-T35 VanDerWaalsContact C-N 3.28Å; S33-T35 PolarHBondContact O-N 3.12Å; T35-V72 HydrophobicContact CG2-CG1 4.18Å; T35-V72 HydrophobicContact CG2-CG2 4.05Å
36L94.5Very high96.6Very high28 Ų2858 Ų5815%0.14734%0.337CS..THydrogen-bonded Turntrans-96.1-18-177.4-60.3175.8000113.2S33 Y38 I40 F71 V72 A77S33-L36 PolarHBondContact O-N 3.32Å; S33-L36 WeakPolarHBondContact OG-CG 3.18Å; S33-L36 PolarHBondContact OG-N 2.85Å; L36-Y38 VanDerWaalsContact C-N 3.31Å; L36-Y38 HydrophobicContact CB-CD1 4.12Å; L36-Y38 HydrophobicContact CB-CD2 4.26Å; L36-Y38 HydrophobicContact CB-CE1 3.73Å; L36-Y38 HydrophobicContact CB-CE2 3.87Å; L36-Y38 HydrophobicContact CB-CG 4.37Å; L36-Y38 HydrophobicContact CD1-CE2 3.88Å; L36-Y38 HydrophobicContact CG-CE2 4.48Å; L36-Y38 WeakPolarHBondContact O-CD1 3.49Å; L36-Y38 VanDerWaalsContact O-CE1 3.3Å; L36-Y38 WeakPolarHBondContact O-CE1 3.47Å; L36-Y38 PolarHBondContact O-N 3.45Å; L36-I40 HydrophobicContact CD1-CG2 4.09Å; L36-F71 HydrophobicContact CD1-CB 3.95Å; L36-V72 HydrophobicContact CD1-CG2 4.19Å; L36-V72 HydrophobicContact CD2-CG2 4.16Å; L36-V72 HydrophobicContact CG-CG2 4.02Å; L36-A77 HydrophobicContact CD2-CB 3.49Å; L36-A77 VanDerWaalsContact CD2-CB 3.49Å
37G93.6Very high96.5Very high50 Ų5064.1 Ų64.152%0.51536%0.364SS..THydrogen-bonded Turntrans75.615.6-179.200000114.4F32 S33F32-G37 WeakPolarHBondContact CZ-O 3.38Å; S33-G37 PolarHBondContact O-N 3.24Å
38Y94.8Very high96.5Very high86 Ų8666.4 Ų66.434%0.33739%0.389SS..EExtended strand (participates in β ladder)trans-150.4169.218055.2-107.6000113.3M1 T2 S33 L36 I40M1-Y38 WeakPolarHBondContact O-CB 3.34Å; T2-Y38 HydrophobicContact CG2-CD1 4.1Å; T2-Y38 HydrophobicContact CG2-CG 4.22Å; S33-Y38 WeakPolarHBondContact CB-O 3.23Å; S33-Y38 PolarHBondContact N-O 2.9Å; L36-Y38 VanDerWaalsContact C-N 3.31Å; L36-Y38 HydrophobicContact CB-CD1 4.12Å; L36-Y38 HydrophobicContact CB-CD2 4.26Å; L36-Y38 HydrophobicContact CB-CE1 3.73Å; L36-Y38 HydrophobicContact CB-CE2 3.87Å; L36-Y38 HydrophobicContact CB-CG 4.37Å; L36-Y38 HydrophobicContact CD1-CE2 3.88Å; L36-Y38 HydrophobicContact CG-CE2 4.48Å; L36-Y38 WeakPolarHBondContact O-CD1 3.49Å; L36-Y38 VanDerWaalsContact O-CE1 3.3Å; L36-Y38 WeakPolarHBondContact O-CE1 3.47Å; L36-Y38 PolarHBondContact O-N 3.45Å; Y38-I40 HydrophobicContact CD2-CG2 3.94Å; Y38-I40 HydrophobicContact CE2-CG2 3.8Å
39S96Very high96.4Very high2 Ų265.7 Ų65.71%0.01438%0.382CS..EExtended strand (participates in β ladder)trans-78.5133.8-178.7-72.30000112.8M1 G5 V6 T31M1-S39 PolarHBondContact N-O 2.87Å; M1-S39 PolarHBondContact O-N 2.95Å; G5-S39 WeakPolarHBondContact O-CB 3.34Å; G5-S39 PolarHBondContact O-OG 3.1Å; V6-S39 WeakPolarHBondContact CA-OG 3.48Å; T31-S39 WeakPolarHBondContact O-CA 3.2Å
40I97.1Very high96.3Very high26 Ų2664.5 Ų64.513%0.13338%0.38CS..EExtended strand (participates in β ladder)trans-126.1156.6-18059.4168.3000110.4G30 T31 L36 Y38 F71G30-I40 WeakPolarHBondContact CA-O 3.31Å; T31-I40 HydrophobicContact CG2-CD1 4.22Å; T31-I40 HydrophobicContact CG2-CG1 3.93Å; T31-I40 PolarHBondContact N-O 2.78Å; T31-I40 PolarHBondContact O-N 2.85Å; T31-I40 VanDerWaalsContact O-O 3.06Å; L36-I40 HydrophobicContact CD1-CG2 4.09Å; Y38-I40 HydrophobicContact CD2-CG2 3.94Å; Y38-I40 HydrophobicContact CE2-CG2 3.8Å; I40-F71 HydrophobicContact CB-CD1 4.23Å; I40-F71 HydrophobicContact CB-CD2 4.43Å; I40-F71 HydrophobicContact CB-CE1 4.14Å; I40-F71 HydrophobicContact CB-CE2 4.33Å; I40-F71 HydrophobicContact CB-CG 4.38Å; I40-F71 HydrophobicContact CB-CZ 4.2Å; I40-F71 HydrophobicContact CD1-CB 4.2Å; I40-F71 HydrophobicContact CD1-CD2 3.66Å; I40-F71 HydrophobicContact CD1-CE2 4.17Å; I40-F71 HydrophobicContact CD1-CG 3.89Å; I40-F71 HydrophobicContact CG2-CD1 3.99Å; I40-F71 HydrophobicContact CG2-CE1 4.23Å; I40-F71 HydrophobicContact CG2-CG 4.32Å
41A97.8Very high96.3Very high25 Ų2570.2 Ų70.221%0.20740%0.401CS..EExtended strand (participates in β ladder)trans-153146.6175.300000111.8L7 I27 S29 F71L7-A41 HydrophobicContact CB-CB 3.98Å; L7-A41 HydrophobicContact CD1-CB 3.72Å; L7-A41 HydrophobicContact CG-CB 4.47Å; I27-A41 HydrophobicContact CD1-CB 4Å; I27-A41 HydrophobicContact CG1-CB 4.04Å; I27-A41 HydrophobicContact CG2-CB 3.83Å; S29-A41 CarbonylContact O-C 3.16Å; S29-A41 WeakPolarHBondContact O-CA 3.31Å; A41-F71 WeakPolarHBondContact O-CZ 3.42Å
42L98.2Very high96.3Very high71 Ų7171.1 Ų71.137%0.37241%0.407SS..EExtended strand (participates in β ladder)trans-90.6137.5158.7-66.1177.9000108.6T28 S29 P69 F71T28-L42 PolarHBondContact N-O 2.78Å; T28-L42 PolarHBondContact OG1-O 2.98Å; T28-L42 VanDerWaalsContact OG1-O 3.14Å; S29-L42 PolarHBondContact N-O 2.82Å; S29-L42 PolarHBondContact O-N 3.46Å; L42-P69 HydrophobicContact CD2-CB 3.74Å; L42-F71 HydrophobicContact CD2-CE2 3.84Å; L42-F71 HydrophobicContact CD2-CZ 4.21Å; L42-F71 HydrophobicContact CG-CE2 4.29Å
43A98.1Very high96.4Very high47 Ų4766.6 Ų66.639%0.38839%0.388SS..EExtended strand (participates in β ladder)trans-136.8145.7-179.300000110.6V13 I26 I27 V45V13-A43 HydrophobicContact CG2-CB 4.02Å; I26-A43 CarbonylContact O-C 3.57Å; I26-A43 VanDerWaalsContact O-CA 3.25Å; I26-A43 WeakPolarHBondContact O-CA 3.48Å; I26-A43 WeakPolarHBondContact O-CB 3.39Å; I27-A43 HydrophobicContact CG1-CB 4.26Å; A43-V45 HydrophobicContact CB-CG1 4.31Å
44R98.2Very high96.5Very high179 Ų17968.7 Ų68.768%0.67540%0.398SS*.EExtended strand (participates in β ladder)trans-99.6123.3168-176.6-179.967.7-151.4-0.1107.7G25 I26 T28G25-R44 CarbonylContact C-O 3.56Å; G25-R44 VanDerWaalsContact CA-O 3.27Å; G25-R44 WeakPolarHBondContact CA-O 3.3Å; I26-R44 HydrophobicContact CG2-CB 4.47Å; I26-R44 PolarHBondContact N-O 3.05Å; I26-R44 PolarHBondContact O-N 2.91Å; T28-R44 HydrophobicContact CG2-CB 4.25Å
45V97.6Very high96.5Very high47 Ų4763.2 Ų63.229%0.28536%0.362SS..  trans-134.5152.2-174-67.50000110.1V13 F15 A43 I49V13-V45 HydrophobicContact CB-CG1 4.29Å; V13-V45 HydrophobicContact CG1-CG1 4.23Å; F15-V45 HydrophobicContact CE1-CB 4.02Å; F15-V45 HydrophobicContact CE1-CG1 4.44Å; A43-V45 HydrophobicContact CB-CG1 4.31Å; V45-I49 HydrophobicContact CB-CD1 4.14Å; V45-I49 HydrophobicContact CG1-CD1 3.98Å; V45-I49 HydrophobicContact CG2-CB 4.32Å; V45-I49 HydrophobicContact CG2-CD1 3.86Å; V45-I49 HydrophobicContact CG2-CG2 4.05Å
46P97.9Very high96.2Very high48 Ų4862.2 Ų62.231%0.31235%0.351SS..  trans-56.6160.7166.5-25.936.4000112.5F15 H23F15-P46 HydrophobicContact CZ-CB 4.22Å; F15-P46 WeakPolarHBondContact CZ-O 3.28Å; H23-P46 HydrophobicContact CB-CB 4.29Å; H23-P46 HydrophobicContact CB-CG 4.09Å
47E96.7Very high95.9Very high187 Ų18762.2 Ų62.287%0.87435%0.351SS*.THydrogen-bonded Turntrans-63.2159.9172.7-66.2-177.1-163.100111.5
48G96Very high95.5Very high52 Ų5270 Ų7054%0.53637%0.365SS..THydrogen-bonded Turntrans86.610.1179.100000115.1
49I97.1Very high95Very high50 Ų5073.5 Ų73.526%0.25639%0.39SS..  trans-65.3134.3173.5-164.5167.6000111.4F15 V45 A53 V66F15-I49 HydrophobicContact CB-CG1 4.41Å; F15-I49 HydrophobicContact CD1-CB 4.3Å; F15-I49 HydrophobicContact CD1-CD1 3.83Å; F15-I49 HydrophobicContact CD1-CG1 3.84Å; F15-I49 HydrophobicContact CD2-CB 4.1Å; F15-I49 HydrophobicContact CD2-CG1 4.05Å; F15-I49 HydrophobicContact CE1-CB 4.03Å; F15-I49 HydrophobicContact CE1-CD1 4.02Å; F15-I49 HydrophobicContact CE1-CG1 4.05Å; F15-I49 VanDerWaalsContact CE2-CA 3.43Å; F15-I49 HydrophobicContact CE2-CB 3.83Å; F15-I49 HydrophobicContact CE2-CG1 4.25Å; F15-I49 HydrophobicContact CG-CB 4.33Å; F15-I49 HydrophobicContact CG-CD1 4.29Å; F15-I49 HydrophobicContact CG-CG1 3.83Å; F15-I49 HydrophobicContact CZ-CB 3.77Å; F15-I49 HydrophobicContact CZ-CG1 4.24Å; V45-I49 HydrophobicContact CB-CD1 4.14Å; V45-I49 HydrophobicContact CG1-CD1 3.98Å; V45-I49 HydrophobicContact CG2-CB 4.32Å; V45-I49 HydrophobicContact CG2-CD1 3.86Å; V45-I49 HydrophobicContact CG2-CG2 4.05Å; I49-A53 HydrophobicContact CD1-CB 4.29Å; I49-V66 HydrophobicContact CD1-CG1 4.06Å; I49-V66 HydrophobicContact CD1-CG2 3.64Å; I49-V66 HydrophobicContact CG1-CG1 4.29Å; I49-V66 HydrophobicContact CG1-CG2 3.93Å; I49-V66 HydrophobicContact CG2-CG1 4.32Å
50G95.8Very high94.8Very high41 Ų4181.1 Ų81.142%0.42342%0.418SS..  trans-86.1-158.6174.500000113.4T52 V66G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 3.48Å; G50-V66 VanDerWaalsContact O-CB 3.26Å; G50-V66 WeakPolarHBondContact O-CB 3.48Å; G50-V66 WeakPolarHBondContact O-CG2 3.46Å
51E96.2Very high94.5Very high141 Ų14185.6 Ų85.666%0.65944%0.439SS*.SBendtrans-78.9-12.5179.3-67.5-67.7144.600113.6V66E51-V66 PolarHBondContact O-N 3.31Å
52T96.2Very high94.3Very high101 Ų10184.8 Ų84.862%0.6243%0.43SS*.EExtended strand (participates in β ladder)trans-132.7150.1-179.458.60000111.1G50 V64G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 3.48Å; T52-V64 WeakPolarHBondContact CA-O 3.48Å
53A97.1Very high94.2Very high4 Ų485 Ų853%0.03344%0.437CS..EExtended strand (participates in β ladder)trans-145.6171.8172.200000109.5V13 F15 I49 V64 V66V13-A53 HydrophobicContact CG1-CB 3.72Å; F15-A53 HydrophobicContact CB-CB 4.27Å; I49-A53 HydrophobicContact CD1-CB 4.29Å; A53-V64 HydrophobicContact CB-CG2 3.92Å; A53-V64 PolarHBondContact N-O 2.99Å; A53-V64 WeakPolarHBondContact O-CG2 3.44Å; A53-V64 PolarHBondContact O-N 2.9Å; A53-V66 HydrophobicContact CB-CG2 3.88Å
54I96.5Very high94.1Very high52 Ų5283.6 Ų83.627%0.26742%0.423SS..EExtended strand (participates in β ladder)trans-113.4133.5176-59.8-56.2000109V13 R14 E61 P63V13-I54 CarbonylContact C-O 3.5Å; V13-I54 WeakPolarHBondContact CA-O 3.27Å; R14-I54 PolarHBondContact N-O 2.82Å; R14-I54 PolarHBondContact O-N 3.45Å; I54-E61 HydrophobicContact CG2-CB 3.54Å; I54-E61 HydrophobicContact CG2-CG 3.78Å; I54-P63 HydrophobicContact CD1-CB 4.11Å
55V95.8Very high94Very high2 Ų282.3 Ų82.31%0.01242%0.422CS..EExtended strand (participates in β ladder)trans-112.4132.3168.9-179.60000108.7L7 L11 V13 I27 I57 M62 V64L7-V55 HydrophobicContact CD2-CB 4.21Å; L7-V55 HydrophobicContact CD2-CG1 3.95Å; L7-V55 HydrophobicContact CD2-CG2 4.21Å; L11-V55 HydrophobicContact CB-CG1 3.9Å; L11-V55 HydrophobicContact CD1-CG1 3.96Å; V13-V55 HydrophobicContact CG1-CG2 4.47Å; V13-V55 HydrophobicContact CG2-CG2 4.2Å; I27-V55 HydrophobicContact CD1-CG1 3.91Å; I27-V55 HydrophobicContact CD1-CG2 4.12Å; V55-I57 HydrophobicContact CG1-CG1 4.25Å; V55-I57 PolarHBondContact O-N 2.98Å; V55-M62 PolarHBondContact N-O 3.23Å; V55-M62 PolarHBondContact O-N 3.17Å; V55-V64 HydrophobicContact CB-CG1 4.26Å; V55-V64 HydrophobicContact CG2-CB 4.43Å; V55-V64 HydrophobicContact CG2-CG1 3.71Å; V55-V64 HydrophobicContact CG2-CG2 3.81Å
56Q88.5Confident94Very high67 Ų6781.7 Ų81.731%0.31342%0.419SS..EExtended strand (participates in β ladder)trans-79.1119.5170.9-94.9-154.8-33.400110.7E61Q56-E61 HydrophobicContact CG-CG 4.49Å
57I89.4Confident93.9Very high28 Ų2883 Ų8314%0.14443%0.425CS..EExtended strand (participates in β ladder)trans-116.8104.6169.6-54.4-171.9000107.9M1 L7 L11 V55 N59 R60 M62M1-I57 HydrophobicContact CE-CD1 3.99Å; M1-I57 HydrophobicContact SD-CD1 3.7Å; L7-I57 HydrophobicContact CD2-CD1 4.19Å; L11-I57 HydrophobicContact CD1-CG1 4.28Å; V55-I57 HydrophobicContact CG1-CG1 4.25Å; V55-I57 PolarHBondContact O-N 2.98Å; I57-N59 PolarHBondContact O-N 2.95Å; I57-R60 PolarHBondContact N-O 2.94Å; I57-R60 PolarHBondContact O-N 2.6Å; I57-R60 VanDerWaalsContact O-N 3.1Å; I57-M62 HydrophobicContact CB-CG 4.06Å; I57-M62 HydrophobicContact CD1-CB 4.34Å; I57-M62 HydrophobicContact CD1-CG 3.89Å; I57-M62 HydrophobicContact CG1-CB 4.42Å; I57-M62 HydrophobicContact CG1-CG 3.89Å
58R84.4Confident93.9Very high214 Ų21481.4 Ų81.481%0.80842%0.416SS*.THydrogen-bonded Turntrans58.1-118.7-170.9-56.6173.5174.4158-3109
59N85.5Confident93.9Very high160 Ų16084.1 Ų84.186%0.85642%0.424SS*.THydrogen-bonded Turntrans-103.422.7179.5-66.6-2.2000112.6I57I57-N59 PolarHBondContact O-N 2.95Å
60R89.9Confident93.9Very high161 Ų16183.9 Ų83.961%0.60843%0.425SS*.EExtended strand (participates in β ladder)trans-120.5132.2-179.6-64.9-175.864.5-171.1-7.4110.5I57 M62I57-R60 PolarHBondContact N-O 2.94Å; I57-R60 PolarHBondContact O-N 2.6Å; I57-R60 VanDerWaalsContact O-N 3.1Å; R60-M62 HydrophobicContact CB-SD 4.21Å
61E91.9Very high94Very high121 Ų12184 Ų8457%0.56541%0.414SS*.EExtended strand (participates in β ladder)trans-80.7118.1166.6-70.7-167.2166.800108.7I54 Q56I54-E61 HydrophobicContact CG2-CB 3.54Å; I54-E61 HydrophobicContact CG2-CG 3.78Å; Q56-E61 HydrophobicContact CG-CG 4.49Å
62M93.6Very high94Very high7 Ų779.7 Ų79.73%0.03440%0.397CS..EExtended strand (participates in β ladder)trans-109.8115.5-178.1-62.2-62.7-63.300108.8M1 E3 V55 I57 R60 V64M1-M62 HydrophobicContact SD-CB 3.93Å; M1-M62 HydrophobicContact SD-CE 3.76Å; M1-M62 HydrophobicContact SD-CG 4.25Å; E3-M62 HydrophobicContact CB-CE 3.75Å; E3-M62 HydrophobicContact CG-CE 4.39Å; E3-M62 VanDerWaalsContact OE2-CE 3.31Å; E3-M62 WeakPolarHBondContact OE2-CE 3.11Å; V55-M62 PolarHBondContact N-O 3.23Å; V55-M62 PolarHBondContact O-N 3.17Å; I57-M62 HydrophobicContact CB-CG 4.06Å; I57-M62 HydrophobicContact CD1-CB 4.34Å; I57-M62 HydrophobicContact CD1-CG 3.89Å; I57-M62 HydrophobicContact CG1-CB 4.42Å; I57-M62 HydrophobicContact CG1-CG 3.89Å; R60-M62 HydrophobicContact CB-SD 4.21Å; M62-V64 PolarHBondContact O-N 3.41Å
63P95.3Very high94Very high77 Ų7783.2 Ų83.250%0.540%0.399SS..EExtended strand (participates in β ladder)trans-66134.5174.527.4-32.6000110.1I54I54-P63 HydrophobicContact CD1-CB 4.11Å
64V96.4Very high94Very high17 Ų1791.1 Ų91.110%0.10344%0.441CS..EExtended strand (participates in β ladder)trans-125.9146.6176.1-59.20000110M1 L7 T52 A53 V55 M62M1-V64 HydrophobicContact CB-CG1 4.05Å; M1-V64 HydrophobicContact CG-CG1 4.43Å; L7-V64 HydrophobicContact CD2-CG1 4.39Å; T52-V64 WeakPolarHBondContact CA-O 3.48Å; A53-V64 HydrophobicContact CB-CG2 3.92Å; A53-V64 PolarHBondContact N-O 2.99Å; A53-V64 WeakPolarHBondContact O-CG2 3.44Å; A53-V64 PolarHBondContact O-N 2.9Å; V55-V64 HydrophobicContact CB-CG1 4.26Å; V55-V64 HydrophobicContact CG2-CB 4.43Å; V55-V64 HydrophobicContact CG2-CG1 3.71Å; V55-V64 HydrophobicContact CG2-CG2 3.81Å; M62-V64 PolarHBondContact O-N 3.41Å
65K96.7Very high93.8Very high151 Ų15191.8 Ų91.866%0.65746%0.46SS*.EExtended strand (participates in β ladder)trans-83129.2169.5-173.7178.5-179.5-179.10109T67K65-T67 HydrophobicContact CD-CG2 4.17Å; K65-T67 HydrophobicContact CG-CG2 4.04Å
66V97.1Very high93.8Very high35 Ų3599.4 Ų99.421%0.21249%0.493CS..  trans-83.2132.9171.6-178.90000107.6I49 G50 E51 A53I49-V66 HydrophobicContact CD1-CG1 4.06Å; I49-V66 HydrophobicContact CD1-CG2 3.64Å; I49-V66 HydrophobicContact CG1-CG1 4.29Å; I49-V66 HydrophobicContact CG1-CG2 3.93Å; I49-V66 HydrophobicContact CG2-CG1 4.32Å; G50-V66 VanDerWaalsContact O-CB 3.26Å; G50-V66 WeakPolarHBondContact O-CB 3.48Å; G50-V66 WeakPolarHBondContact O-CG2 3.46Å; E51-V66 PolarHBondContact O-N 3.31Å; A53-V66 HydrophobicContact CB-CG2 3.88Å
67T96.3Very high94.1Very high74 Ų7499.2 Ų99.245%0.45450%0.503SS..  trans-138.3172.5-178.866.80000109.8K65K65-T67 HydrophobicContact CD-CG2 4.17Å; K65-T67 HydrophobicContact CG-CG2 4.04Å
68K96.1Very high94.3Very high155 Ų155100.6 Ų100.667%0.67451%0.513SS*.  trans-55.4151.5166.4-64.8178-176169.80110.1V70K68-V70 HydrophobicContact CB-CG1 4.11Å; K68-V70 PolarHBondContact O-N 2.93Å
69P96.7Very high93.8Very high109 Ų10997.9 Ų97.971%0.70854%0.536SS*.SBendtrans-7649.9-179.433.1-37.4000112.1L42L42-P69 HydrophobicContact CD2-CB 3.74Å
70V96.8Very high94.3Very high45 Ų4594.8 Ų94.827%0.27352%0.52SS..  trans-156137.7178.764.20000108.8K68 R73 V78K68-V70 HydrophobicContact CB-CG1 4.11Å; K68-V70 PolarHBondContact O-N 2.93Å; V70-R73 HydrophobicContact CG2-CG 4.37Å; V70-V78 HydrophobicContact CG1-CG1 4.13Å; V70-V78 HydrophobicContact CG2-CG2 4.06Å
71F96.9Very high94.5Very high43 Ų4391.3 Ų91.319%0.18952%0.516CS..  trans-124.5-41-172.8-55-73000113.5L36 I40 A41 L42 V78L36-F71 HydrophobicContact CD1-CB 3.95Å; I40-F71 HydrophobicContact CB-CD1 4.23Å; I40-F71 HydrophobicContact CB-CD2 4.43Å; I40-F71 HydrophobicContact CB-CE1 4.14Å; I40-F71 HydrophobicContact CB-CE2 4.33Å; I40-F71 HydrophobicContact CB-CG 4.38Å; I40-F71 HydrophobicContact CB-CZ 4.2Å; I40-F71 HydrophobicContact CD1-CB 4.2Å; I40-F71 HydrophobicContact CD1-CD2 3.66Å; I40-F71 HydrophobicContact CD1-CE2 4.17Å; I40-F71 HydrophobicContact CD1-CG 3.89Å; I40-F71 HydrophobicContact CG2-CD1 3.99Å; I40-F71 HydrophobicContact CG2-CE1 4.23Å; I40-F71 HydrophobicContact CG2-CG 4.32Å; A41-F71 WeakPolarHBondContact O-CZ 3.42Å; L42-F71 HydrophobicContact CD2-CE2 3.84Å; L42-F71 HydrophobicContact CD2-CZ 4.21Å; L42-F71 HydrophobicContact CG-CE2 4.29Å; F71-V78 PolarHBondContact O-N 3.31Å
72V97.4Very high94.6Very high51 Ų5189.7 Ų89.731%0.30951%0.513SS..EExtended strand (participates in β ladder)trans-138.3137.9-175.8176.70000109.7T35 L36 K76T35-V72 HydrophobicContact CG2-CG1 4.18Å; T35-V72 HydrophobicContact CG2-CG2 4.05Å; L36-V72 HydrophobicContact CD1-CG2 4.19Å; L36-V72 HydrophobicContact CD2-CG2 4.16Å; L36-V72 HydrophobicContact CG-CG2 4.02Å; V72-K76 VanDerWaalsContact CA-O 3.31Å; V72-K76 WeakPolarHBondContact CA-O 3.07Å; V72-K76 WeakPolarHBondContact CG1-O 3.4Å
73R96.9Very high94.7Very high174 Ų17494.5 Ų94.566%0.65754%0.541SS*.EExtended strand (participates in β ladder)trans-137.3136.2169.3-77.2-176.1175.4-177.3-1.1109.5V70 G75 K76 V78V70-R73 HydrophobicContact CG2-CG 4.37Å; R73-G75 VanDerWaalsContact C-N 3.26Å; R73-G75 PolarHBondContact O-N 3.5Å; R73-K76 PolarHBondContact N-O 3.35Å; R73-K76 PolarHBondContact O-N 2.87Å; R73-V78 HydrophobicContact CB-CG2 4.06Å; R73-V78 HydrophobicContact CG-CG2 3.94Å
74N95.6Very high94.6Very high171 Ų17195.6 Ų95.691%0.91454%0.543SS*.THydrogen-bonded Turntrans48.543.9176.3-57.1-22.9000113.7K76N74-K76 VanDerWaalsContact C-N 3.27Å; N74-K76 PolarHBondContact O-N 3.39Å
75G93.8Very high94.5Very high65 Ų65100.9 Ų100.967%0.6757%0.573SS**THydrogen-bonded Turntrans75.14.817900000115.8R73R73-G75 VanDerWaalsContact C-N 3.26Å; R73-G75 PolarHBondContact O-N 3.5Å
76K95.4Very high94.4Very high162 Ų16297.3 Ų97.370%0.70457%0.567SS**EExtended strand (participates in β ladder)trans-120.1147.3179.6-65.5-175.5179.9-179.40112V72 R73 N74V72-K76 VanDerWaalsContact CA-O 3.31Å; V72-K76 WeakPolarHBondContact CA-O 3.07Å; V72-K76 WeakPolarHBondContact CG1-O 3.4Å; R73-K76 PolarHBondContact N-O 3.35Å; R73-K76 PolarHBondContact O-N 2.87Å; N74-K76 VanDerWaalsContact C-N 3.27Å; N74-K76 PolarHBondContact O-N 3.39Å
77A95.1Very high94.2Very high64 Ų64102.1 Ų102.153%0.52959%0.594SS.*EExtended strand (participates in β ladder)trans-59.1136.6168.900000109.9L36L36-A77 HydrophobicContact CD2-CB 3.49Å; L36-A77 VanDerWaalsContact CD2-CB 3.49Å
78V93.4Very high94Very high57 Ų57104.4 Ų104.435%0.34561%0.606SS.*  trans-80.8127.8174.2-177.90000108.4V70 F71 R73V70-V78 HydrophobicContact CG1-CG1 4.13Å; V70-V78 HydrophobicContact CG2-CG2 4.06Å; F71-V78 PolarHBondContact O-N 3.31Å; R73-V78 HydrophobicContact CB-CG2 4.06Å; R73-V78 HydrophobicContact CG-CG2 3.94Å
79A73.9Confident93.8Very high157 Ų15799.8 Ų99.8100%1.29860%0.6SS**  trans-79.90173.300000111.3

Retrieved 79 of 79 residues in 129.8 ms (Link to these results)