A0A077Z541_TRITR Loading...

LEM domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z541, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 176 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
1M44.2Very low76.8Confident212 Ų21292.3 Ų92.3100%1.04451%0.507SS*.  0115.80-72.9175.2-161.800106.1V3M1-V3 PolarHBondContact O-N 3.44Å; M1-V3 VanDerWaalsContact O-N 3.11Å
2E54.8Low78.2Confident184 Ų18495.8 Ų95.886%0.8652%0.517SS*.  trans-60.8114.9170.9-65.5-177.9136.600106.9E4E2-E4 PolarHBondContact O-N 3.44Å
3V61.3Low79.4Confident126 Ų12695.3 Ų95.376%0.76451%0.51SS*.  trans-74.390.9172.3-178.80000104.7M1 D5M1-V3 PolarHBondContact O-N 3.44Å; M1-V3 VanDerWaalsContact O-N 3.11Å; V3-D5 PolarHBondContact O-N 3.48Å; V3-D5 VanDerWaalsContact O-N 3.16Å
4E68.1Low80.4Confident83 Ų8388.5 Ų88.539%0.38847%0.473SS..  trans-60.3121.1173-64.3-169.5125.900108.2E2 V6 K17 L44E2-E4 PolarHBondContact O-N 3.44Å; E4-V6 WeakPolarHBondContact O-CG2 3.18Å; E4-V6 PolarHBondContact O-N 3.16Å; E4-K17 IonicContact OE1-NZ 2.78Å; E4-K17 PolarHBondContact OE1-NZ 3.1Å; E4-K17 IonicContact OE2-NZ 2.67Å; E4-K17 PolarHBondContact OE2-NZ 2.92Å; E4-L44 HydrophobicContact CB-CD1 4.49Å
5D82.9Confident81.2Confident109 Ų10991.1 Ų91.158%0.58347%0.474SS*.  trans-6886173.4-70.9-47.4000109.4V3 S7 S8V3-D5 PolarHBondContact O-N 3.48Å; V3-D5 VanDerWaalsContact O-N 3.16Å; D5-S7 PolarHBondContact O-N 3Å; D5-S7 VanDerWaalsContact O-N 3.11Å; D5-S8 PolarHBondContact O-N 3.3Å
6V85.5Confident82Confident1 Ų196 Ų961%0.00648%0.484CS..G310 helixtrans-58.2-27.3-177.8174.50000112.1E4 S8 L9 L14 E37 L40 K41 L44E4-V6 WeakPolarHBondContact O-CG2 3.18Å; E4-V6 PolarHBondContact O-N 3.16Å; V6-S8 VanDerWaalsContact C-N 3.28Å; V6-S8 PolarHBondContact O-N 3.13Å; V6-L9 HydrophobicContact CG1-CD1 4.36Å; V6-L9 PolarHBondContact O-N 3.23Å; V6-L14 HydrophobicContact CG1-CD1 3.84Å; V6-E37 HydrophobicContact CG1-CB 3.67Å; V6-E37 HydrophobicContact CG1-CG 3.83Å; V6-L40 HydrophobicContact CG1-CB 4.11Å; V6-L40 HydrophobicContact CG1-CD2 3.81Å; V6-L40 HydrophobicContact CG1-CG 4.33Å; V6-L40 HydrophobicContact CG2-CD2 3.98Å; V6-L40 HydrophobicContact CG2-CG 4.2Å; V6-K41 HydrophobicContact CB-CG 3.98Å; V6-K41 HydrophobicContact CG1-CG 4.44Å; V6-K41 HydrophobicContact CG2-CG 3.74Å; V6-L44 HydrophobicContact CG2-CD1 3.94Å
7S86.4Confident82.6Confident60 Ų6092.6 Ų92.642%0.4247%0.465SS..G310 helixtrans-67.5-25.2177.149.50000113.8D5 R33D5-S7 PolarHBondContact O-N 3Å; D5-S7 VanDerWaalsContact O-N 3.11Å; S7-R33 PolarHBondContact O-NH2 2.98Å
8S87.9Confident83.2Confident92 Ų9287.4 Ų87.464%0.64344%0.44SS*.G310 helixtrans-84.8-11.3-177.8-57.90000112.9D5 V6D5-S8 PolarHBondContact O-N 3.3Å; V6-S8 VanDerWaalsContact C-N 3.28Å; V6-S8 PolarHBondContact O-N 3.13Å
9L89Confident83.7Confident25 Ų2587.3 Ų87.313%0.13144%0.439CS..SBendtrans-69142-178.8-62.7173.9000111.4V6 E13 L14 K17 R33 L40V6-L9 HydrophobicContact CG1-CD1 4.36Å; V6-L9 PolarHBondContact O-N 3.23Å; L9-E13 HydrophobicContact CB-CB 4.18Å; L9-E13 HydrophobicContact CD2-CB 4.25Å; L9-L14 HydrophobicContact CB-CB 4.48Å; L9-K17 HydrophobicContact CD1-CD 3.69Å; L9-R33 VanDerWaalsContact O-CZ 3.28Å; L9-R33 PolarHBondContact O-NH1 2.92Å; L9-R33 PolarHBondContact O-NH2 3.1Å; L9-L40 HydrophobicContact CD1-CD2 3.92Å
10S92.4Very high84.1Confident51 Ų5190.9 Ų90.936%0.35746%0.455SS..  trans-66159.717068.70000111.1Q12 E13 L14S10-Q12 PolarHBondContact O-N 2.84Å; S10-Q12 VanDerWaalsContact O-N 3.11Å; S10-E13 VanDerWaalsContact CB-OE2 3.22Å; S10-E13 WeakPolarHBondContact CB-OE2 3.4Å; S10-E13 PolarHBondContact N-OE2 3.22Å; S10-E13 PolarHBondContact O-N 3.02Å; S10-E13 VanDerWaalsContact O-N 3.07Å; S10-E13 WeakPolarHBondContact OG-CB 3.03Å; S10-E13 VanDerWaalsContact OG-CG 3.22Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-N 2.95Å; S10-E13 PolarHBondContact OG-OE2 3.06Å; S10-L14 WeakPolarHBondContact O-CB 3.48Å; S10-L14 PolarHBondContact O-N 2.92Å
11N92.9Very high84.3Confident72 Ų7289.9 Ų89.939%0.38545%0.448SS..Hα-helixtrans-55.9-32.1178.2-65-20.3000112.5R15 V28 R33N11-R15 WeakPolarHBondContact O-CB 3.35Å; N11-R15 PolarHBondContact O-N 2.84Å; N11-V28 HydrophobicContact CB-CB 4.11Å; N11-V28 HydrophobicContact CB-CG1 3.82Å; N11-R33 PolarHBondContact OD1-NH1 3.31Å
12Q93.6Very high86.5Confident134 Ų13481.4 Ų81.463%0.62642%0.415SS*.Hα-helixtrans-75-42.1177.8-65.5-174.5-3.100111.9S10 R15 R16S10-Q12 PolarHBondContact O-N 2.84Å; S10-Q12 VanDerWaalsContact O-N 3.11Å; Q12-R15 PolarHBondContact O-N 2.78Å; Q12-R16 WeakPolarHBondContact O-CG 3.49Å; Q12-R16 PolarHBondContact O-N 3.01Å
13E93.2Very high88.2Confident90 Ų9076.1 Ų76.142%0.42139%0.389SS..Hα-helixtrans-66.9-44.3178.4-71.4161.4149.200111.6L9 S10 R15 R16 K17L9-E13 HydrophobicContact CB-CB 4.18Å; L9-E13 HydrophobicContact CD2-CB 4.25Å; S10-E13 VanDerWaalsContact CB-OE2 3.22Å; S10-E13 WeakPolarHBondContact CB-OE2 3.4Å; S10-E13 PolarHBondContact N-OE2 3.22Å; S10-E13 PolarHBondContact O-N 3.02Å; S10-E13 VanDerWaalsContact O-N 3.07Å; S10-E13 WeakPolarHBondContact OG-CB 3.03Å; S10-E13 VanDerWaalsContact OG-CG 3.22Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-N 2.95Å; S10-E13 PolarHBondContact OG-OE2 3.06Å; E13-R15 VanDerWaalsContact C-N 3.25Å; E13-R15 PolarHBondContact O-N 3.42Å; E13-R16 PolarHBondContact O-N 2.86Å; E13-R16 VanDerWaalsContact O-N 3.1Å; E13-K17 PolarHBondContact O-N 2.9Å
14L93.2Very high89.7Confident0 Ų077 Ų770%039%0.389CS..Hα-helixtrans-55.6-43.9175.4-178.262.4000111.1V6 L9 S10 L18 V28 R33 E37 L40V6-L14 HydrophobicContact CG1-CD1 3.84Å; L9-L14 HydrophobicContact CB-CB 4.48Å; S10-L14 WeakPolarHBondContact O-CB 3.48Å; S10-L14 PolarHBondContact O-N 2.92Å; L14-L18 HydrophobicContact CG-CD1 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.26Å; L14-L18 PolarHBondContact O-N 3.04Å; L14-V28 HydrophobicContact CD2-CG1 4.39Å; L14-R33 HydrophobicContact CD2-CG 3.95Å; L14-E37 HydrophobicContact CD1-CG 4.21Å; L14-E37 HydrophobicContact CD2-CG 3.94Å; L14-L40 HydrophobicContact CD1-CB 4.3Å; L14-L40 HydrophobicContact CD1-CD2 3.89Å
15R92.8Very high90.8Very high127 Ų12773.7 Ų73.748%0.47938%0.375SS..Hα-helixtrans-63.2-45.4175.6175.8169.4-175-166.40.6112.3N11 Q12 E13 L18 I19 P25 V28N11-R15 WeakPolarHBondContact O-CB 3.35Å; N11-R15 PolarHBondContact O-N 2.84Å; Q12-R15 PolarHBondContact O-N 2.78Å; E13-R15 VanDerWaalsContact C-N 3.25Å; E13-R15 PolarHBondContact O-N 3.42Å; R15-L18 PolarHBondContact O-N 3.41Å; R15-I19 HydrophobicContact CG-CD1 3.85Å; R15-I19 WeakPolarHBondContact O-CD1 3.34Å; R15-I19 VanDerWaalsContact O-CG1 3.27Å; R15-I19 WeakPolarHBondContact O-CG1 2.95Å; R15-I19 PolarHBondContact O-N 2.84Å; R15-I19 VanDerWaalsContact O-N 3.07Å; R15-P25 HydrophobicContact CB-CG 4.42Å; R15-P25 HydrophobicContact CG-CG 3.92Å; R15-V28 HydrophobicContact CB-CG2 4.21Å
16R93.6Very high91.2Very high170 Ų17070 Ų7064%0.64236%0.363SS*.Hα-helixtrans-61.3-47.5179.5-75.1176.8-176.6175.22.9111.5Q12 E13 L18 I19 E20Q12-R16 WeakPolarHBondContact O-CG 3.49Å; Q12-R16 PolarHBondContact O-N 3.01Å; E13-R16 PolarHBondContact O-N 2.86Å; E13-R16 VanDerWaalsContact O-N 3.1Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-L18 PolarHBondContact O-N 2.71Å; R16-I19 PolarHBondContact O-N 3.26Å; R16-E20 PolarHBondContact O-N 2.98Å
17K92Very high91.5Very high38 Ų3875 Ų7517%0.16540%0.396CS..Hα-helixtrans-61.8-42.3177.6-69.1-166.2178-170.80111.8E4 L9 E13 I19 E20 H21 L40E4-K17 IonicContact OE1-NZ 2.78Å; E4-K17 PolarHBondContact OE1-NZ 3.1Å; E4-K17 IonicContact OE2-NZ 2.67Å; E4-K17 PolarHBondContact OE2-NZ 2.92Å; L9-K17 HydrophobicContact CD1-CD 3.69Å; E13-K17 PolarHBondContact O-N 2.9Å; K17-I19 VanDerWaalsContact C-N 3.32Å; K17-I19 PolarHBondContact O-N 3.12Å; K17-E20 WeakPolarHBondContact O-CB 3.25Å; K17-E20 PolarHBondContact O-N 3.39Å; K17-H21 PolarHBondContact O-CD2 3.07Å; K17-H21 PolarHBondContact O-N 3.36Å; K17-L40 HydrophobicContact CB-CD1 3.78Å; K17-L40 HydrophobicContact CB-CD2 3.69Å; K17-L40 HydrophobicContact CB-CG 4.44Å; K17-L40 HydrophobicContact CD-CD2 3.79Å; K17-L40 HydrophobicContact CG-CD2 4.37Å
18L93.1Very high91.9Very high0 Ų073.5 Ų73.50%038%0.384CS..Hα-helixtrans-59.5-42175.2-79.9173.4000112.7L14 R15 R16 E20 H21 G22 F23 P25 Y36 K39 L40L14-L18 HydrophobicContact CG-CD1 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.26Å; L14-L18 PolarHBondContact O-N 3.04Å; R15-L18 PolarHBondContact O-N 3.41Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-L18 PolarHBondContact O-N 2.71Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-H21 CarbonylContact O-C 3.52Å; L18-H21 PolarHBondContact O-N 3.19Å; L18-G22 PolarHBondContact O-N 3.41Å; L18-F23 CarbonylContact C-O 3.44Å; L18-F23 HydrophobicContact CB-CB 4.14Å; L18-F23 HydrophobicContact CD2-CB 4.14Å; L18-F23 HydrophobicContact CD2-CD2 4.03Å; L18-F23 HydrophobicContact CD2-CG 4.21Å; L18-F23 WeakPolarHBondContact O-CA 3.27Å; L18-F23 WeakPolarHBondContact O-CB 3.4Å; L18-F23 PolarHBondContact O-N 2.89Å; L18-P25 HydrophobicContact CB-CG 3.99Å; L18-P25 HydrophobicContact CD1-CB 4Å; L18-P25 HydrophobicContact CD1-CG 3.99Å; L18-Y36 HydrophobicContact CD1-CD1 3.6Å; L18-Y36 HydrophobicContact CD1-CG 3.73Å; L18-K39 HydrophobicContact CD2-CB 4.01Å; L18-L40 HydrophobicContact CD2-CB 4.03Å; L18-L40 HydrophobicContact CD2-CD1 4.49Å; L18-L40 HydrophobicContact CG-CB 4.47Å
19I93.1Very high92.1Very high84 Ų8472.6 Ų72.643%0.43137%0.374SS..Hα-helixtrans-64.5-40.3176.4-66.2164.9000111R15 R16 K17 H21 G22 F23R15-I19 HydrophobicContact CG-CD1 3.85Å; R15-I19 WeakPolarHBondContact O-CD1 3.34Å; R15-I19 VanDerWaalsContact O-CG1 3.27Å; R15-I19 WeakPolarHBondContact O-CG1 2.95Å; R15-I19 PolarHBondContact O-N 2.84Å; R15-I19 VanDerWaalsContact O-N 3.07Å; R16-I19 PolarHBondContact O-N 3.26Å; K17-I19 VanDerWaalsContact C-N 3.32Å; K17-I19 PolarHBondContact O-N 3.12Å; I19-H21 VanDerWaalsContact C-N 3.27Å; I19-H21 PolarHBondContact O-N 3.2Å; I19-G22 PolarHBondContact O-N 2.97Å; I19-F23 VanDerWaalsContact CA-O 3.27Å; I19-F23 WeakPolarHBondContact CA-O 3.46Å; I19-F23 PolarHBondContact N-O 3.38Å
20E91.3Very high92.2Very high160 Ų16076 Ų7675%0.74840%0.401SS*.Hα-helixtrans-60.3-36.8175-174.2173.1-170.100112.2R16 K17 L18 G22R16-E20 PolarHBondContact O-N 2.98Å; K17-E20 WeakPolarHBondContact O-CB 3.25Å; K17-E20 PolarHBondContact O-N 3.39Å; L18-E20 VanDerWaalsContact C-N 3.35Å; E20-G22 VanDerWaalsContact C-N 3.27Å; E20-G22 PolarHBondContact O-N 3.38Å
21H89.8Confident92.1Very high70 Ų7079 Ų7932%0.32442%0.416SS..THydrogen-bonded Turntrans-81.95.4173-70.7-75.1000114.5K17 L18 I19 F23 L40 A43K17-H21 PolarHBondContact O-CD2 3.07Å; K17-H21 PolarHBondContact O-N 3.36Å; L18-H21 CarbonylContact O-C 3.52Å; L18-H21 PolarHBondContact O-N 3.19Å; I19-H21 VanDerWaalsContact C-N 3.27Å; I19-H21 PolarHBondContact O-N 3.2Å; H21-F23 HydrophobicContact CB-CD2 3.92Å; H21-F23 HydrophobicContact CB-CE2 4.07Å; H21-L40 WeakPolarHBondContact CD2-CD1 3.37Å; H21-A43 HydrophobicContact CB-CB 4.11Å
22G90.7Very high92.2Very high33 Ų3377.6 Ų77.634%0.3441%0.411SS..THydrogen-bonded Turntrans86.811.7176.300000115.7L18 I19 E20L18-G22 PolarHBondContact O-N 3.41Å; I19-G22 PolarHBondContact O-N 2.97Å; E20-G22 VanDerWaalsContact C-N 3.27Å; E20-G22 PolarHBondContact O-N 3.38Å
23F90.4Very high92.2Very high73 Ų7374.1 Ų74.132%0.3239%0.392SS..  trans-94.1137.9174.4-61.5-84.5000111.2L18 I19 H21 P25 A43L18-F23 CarbonylContact C-O 3.44Å; L18-F23 HydrophobicContact CB-CB 4.14Å; L18-F23 HydrophobicContact CD2-CB 4.14Å; L18-F23 HydrophobicContact CD2-CD2 4.03Å; L18-F23 HydrophobicContact CD2-CG 4.21Å; L18-F23 WeakPolarHBondContact O-CA 3.27Å; L18-F23 WeakPolarHBondContact O-CB 3.4Å; L18-F23 PolarHBondContact O-N 2.89Å; I19-F23 VanDerWaalsContact CA-O 3.27Å; I19-F23 WeakPolarHBondContact CA-O 3.46Å; I19-F23 PolarHBondContact N-O 3.38Å; H21-F23 HydrophobicContact CB-CD2 3.92Å; H21-F23 HydrophobicContact CB-CE2 4.07Å; F23-P25 VanDerWaalsContact C-CD 3.4Å; F23-P25 WeakPolarHBondContact O-CD 3.37Å; F23-A43 HydrophobicContact CE2-CB 3.94Å
24N91.5Very high92.2Very high144 Ų14473.8 Ų73.877%0.7740%0.396SS*.  trans-104.179.8174.7-70.4-48.3000110.6
25P90.8Very high92.2Very high14 Ų1477.2 Ų77.29%0.09142%0.417CS..  trans-70144.817831.8-37.8000111.1R15 L18 F23 Y36R15-P25 HydrophobicContact CB-CG 4.42Å; R15-P25 HydrophobicContact CG-CG 3.92Å; L18-P25 HydrophobicContact CB-CG 3.99Å; L18-P25 HydrophobicContact CD1-CB 4Å; L18-P25 HydrophobicContact CD1-CG 3.99Å; F23-P25 VanDerWaalsContact C-CD 3.4Å; F23-P25 WeakPolarHBondContact O-CD 3.37Å; P25-Y36 HydrophobicContact CB-CD1 3.87Å; P25-Y36 HydrophobicContact CB-CE1 3.37Å; P25-Y36 HydrophobicContact CB-CE2 4.1Å; P25-Y36 HydrophobicContact CB-CG 4.44Å
26G91.8Very high92.2Very high32 Ų3272.6 Ų72.633%0.3340%0.399SS..  trans-75.4-154.8169.100000112.2V28 Y36G26-V28 PolarHBondContact O-N 3.01Å; G26-Y36 PolarHBondContact N-OH 3.27Å
27P92.5Very high92.2Very high106 Ų10665.6 Ų65.669%0.68837%0.374SS*.  trans-56.6130.3174.2-22.833.7000111.5V29 T32P27-V29 HydrophobicContact CB-CG2 4.27Å; P27-V29 PolarHBondContact O-N 3.46Å; P27-T32 PolarHBondContact O-OG1 3.32Å
28V93.8Very high92.2Very high28 Ų2869.4 Ų69.417%0.1739%0.393CS..  trans-87.496.3175-177.30000108.3N11 L14 R15 G26 R33 Y36N11-V28 HydrophobicContact CB-CB 4.11Å; N11-V28 HydrophobicContact CB-CG1 3.82Å; L14-V28 HydrophobicContact CD2-CG1 4.39Å; R15-V28 HydrophobicContact CB-CG2 4.21Å; G26-V28 PolarHBondContact O-N 3.01Å; V28-R33 HydrophobicContact CG1-CB 4.36Å; V28-Y36 HydrophobicContact CG1-CD2 4.33Å; V28-Y36 HydrophobicContact CG2-CD2 3.98Å; V28-Y36 HydrophobicContact CG2-CE2 4.03Å
29V93Very high92.1Very high73 Ų7373.9 Ų73.944%0.44241%0.412SS..  trans-102.9156.8174.4-171.90000109P27 T31 T32 R33P27-V29 HydrophobicContact CB-CG2 4.27Å; P27-V29 PolarHBondContact O-N 3.46Å; V29-T31 PolarHBondContact O-N 3.25Å; V29-T31 VanDerWaalsContact O-N 3.13Å; V29-T32 PolarHBondContact N-OG1 3.22Å; V29-T32 CarbonylContact O-C 3.58Å; V29-T32 PolarHBondContact O-N 2.83Å; V29-T32 PolarHBondContact O-OG1 3.27Å; V29-R33 PolarHBondContact O-N 2.78Å
30S90.8Very high92Very high98 Ų9869.9 Ų69.969%0.68539%0.391SS*.Hα-helixtrans-47-41.717851.40000113.5
31T91.3Very high91.9Very high112 Ų11266.3 Ų66.369%0.68737%0.373SS*.Hα-helixtrans-67.1-37.8178.454.80000113V29V29-T31 PolarHBondContact O-N 3.25Å; V29-T31 VanDerWaalsContact O-N 3.13Å
32T93.2Very high91.8Very high44 Ų4465.2 Ų65.227%0.2737%0.374SS..Hα-helixtrans-87.3-17.7-178.556.60000113.8P27 V29 V34 V35 Y36P27-T32 PolarHBondContact O-OG1 3.32Å; V29-T32 PolarHBondContact N-OG1 3.22Å; V29-T32 CarbonylContact O-C 3.58Å; V29-T32 PolarHBondContact O-N 2.83Å; V29-T32 PolarHBondContact O-OG1 3.27Å; T32-V34 VanDerWaalsContact C-N 3.35Å; T32-V34 PolarHBondContact O-N 3.32Å; T32-V35 PolarHBondContact O-N 3.4Å; T32-Y36 WeakPolarHBondContact O-CD2 3.36Å; T32-Y36 PolarHBondContact O-N 3.07Å
33R94.1Very high91.6Very high60 Ų6064.4 Ų64.423%0.22636%0.364CS..Hα-helixtrans-58.6-46.2-174.6-179.9175.8171143.3-8.5111.3S7 L9 N11 L14 V28 V29 V35 Y36 E37S7-R33 PolarHBondContact O-NH2 2.98Å; L9-R33 VanDerWaalsContact O-CZ 3.28Å; L9-R33 PolarHBondContact O-NH1 2.92Å; L9-R33 PolarHBondContact O-NH2 3.1Å; N11-R33 PolarHBondContact OD1-NH1 3.31Å; L14-R33 HydrophobicContact CD2-CG 3.95Å; V28-R33 HydrophobicContact CG1-CB 4.36Å; V29-R33 PolarHBondContact O-N 2.78Å; R33-V35 VanDerWaalsContact C-N 3.29Å; R33-V35 PolarHBondContact O-N 2.67Å; R33-Y36 WeakPolarHBondContact O-CB 3.46Å; R33-Y36 PolarHBondContact O-N 3.49Å; R33-E37 HydrophobicContact CG-CG 4.25Å; R33-E37 WeakPolarHBondContact CG-OE1 3.48Å; R33-E37 IonicContact CZ-OE1 3.79Å; R33-E37 IonicContact NE-OE1 2.87Å; R33-E37 PolarHBondContact NE-OE1 3.4Å; R33-E37 IonicContact NH2-OE1 3.85Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.06Å
34V92.7Very high91.3Very high84 Ų8463.6 Ų63.651%0.50936%0.363SS..Hα-helixtrans-54.7-45.1178.9-176.30000111.5T32 Y36 E37 E38T32-V34 VanDerWaalsContact C-N 3.35Å; T32-V34 PolarHBondContact O-N 3.32Å; V34-Y36 VanDerWaalsContact C-N 3.33Å; V34-Y36 PolarHBondContact O-N 2.88Å; V34-E37 PolarHBondContact O-N 2.99Å; V34-E38 WeakPolarHBondContact O-CG 3.49Å; V34-E38 PolarHBondContact O-N 3.05Å
35V93.1Very high91Very high71 Ų7165 Ų6543%0.4336%0.362SS..Hα-helixtrans-63.1-40.2178.7-178.80000111.6T32 R33 K39T32-V35 PolarHBondContact O-N 3.4Å; R33-V35 VanDerWaalsContact C-N 3.29Å; R33-V35 PolarHBondContact O-N 2.67Å; V35-K39 HydrophobicContact CG1-CD 4.34Å; V35-K39 WeakPolarHBondContact O-CB 3.33Å; V35-K39 VanDerWaalsContact O-CG 3.28Å; V35-K39 WeakPolarHBondContact O-CG 3.28Å; V35-K39 PolarHBondContact O-N 3.32Å
36Y94.5Very high90Very high30 Ų3073.4 Ų73.412%0.11839%0.392CS..Hα-helixtrans-69.8-36.3178-72.2-37.4000112.5L18 P25 G26 V28 T32 R33 V34 K39 L40L18-Y36 HydrophobicContact CD1-CD1 3.6Å; L18-Y36 HydrophobicContact CD1-CG 3.73Å; P25-Y36 HydrophobicContact CB-CD1 3.87Å; P25-Y36 HydrophobicContact CB-CE1 3.37Å; P25-Y36 HydrophobicContact CB-CE2 4.1Å; P25-Y36 HydrophobicContact CB-CG 4.44Å; G26-Y36 PolarHBondContact N-OH 3.27Å; V28-Y36 HydrophobicContact CG1-CD2 4.33Å; V28-Y36 HydrophobicContact CG2-CD2 3.98Å; V28-Y36 HydrophobicContact CG2-CE2 4.03Å; T32-Y36 WeakPolarHBondContact O-CD2 3.36Å; T32-Y36 PolarHBondContact O-N 3.07Å; R33-Y36 WeakPolarHBondContact O-CB 3.46Å; R33-Y36 PolarHBondContact O-N 3.49Å; V34-Y36 VanDerWaalsContact C-N 3.33Å; V34-Y36 PolarHBondContact O-N 2.88Å; Y36-K39 HydrophobicContact CD1-CD 4.35Å; Y36-K39 PolarHBondContact O-N 3.1Å; Y36-L40 WeakPolarHBondContact O-CB 3.5Å; Y36-L40 PolarHBondContact O-N 2.98Å
37E92.9Very high88.3Confident24 Ų2476.9 Ų76.911%0.11241%0.407CS..Hα-helixtrans-63.9-44.8174.5-66.4-178.9-17100111.4V6 L14 R33 V34 L40 K41V6-E37 HydrophobicContact CG1-CB 3.67Å; V6-E37 HydrophobicContact CG1-CG 3.83Å; L14-E37 HydrophobicContact CD1-CG 4.21Å; L14-E37 HydrophobicContact CD2-CG 3.94Å; R33-E37 HydrophobicContact CG-CG 4.25Å; R33-E37 WeakPolarHBondContact CG-OE1 3.48Å; R33-E37 IonicContact CZ-OE1 3.79Å; R33-E37 IonicContact NE-OE1 2.87Å; R33-E37 PolarHBondContact NE-OE1 3.4Å; R33-E37 IonicContact NH2-OE1 3.85Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.06Å; V34-E37 PolarHBondContact O-N 2.99Å; E37-L40 PolarHBondContact O-N 2.93Å; E37-K41 WeakPolarHBondContact O-CB 3.23Å; E37-K41 VanDerWaalsContact O-CG 3.27Å; E37-K41 WeakPolarHBondContact O-CG 3.22Å; E37-K41 PolarHBondContact O-N 3.41Å
38E91.1Very high86.3Confident118 Ų11877.1 Ų77.155%0.55141%0.408SS*.Hα-helixtrans-64.2-40.1176.2-71.1-176.1160.900112.7V34 K41 S42V34-E38 WeakPolarHBondContact O-CG 3.49Å; V34-E38 PolarHBondContact O-N 3.05Å; E38-K41 PolarHBondContact O-N 3.35Å; E38-S42 WeakPolarHBondContact O-CB 3.22Å; E38-S42 PolarHBondContact O-N 3.04Å; E38-S42 PolarHBondContact O-OG 3.36Å
39K90.9Very high84.3Confident93 Ų9382.4 Ų82.440%0.40444%0.44SS..Hα-helixtrans-60.6-45.5174.2-77.5175.5179.6-177.60111.4L18 V35 Y36 S42 A43L18-K39 HydrophobicContact CD2-CB 4.01Å; V35-K39 HydrophobicContact CG1-CD 4.34Å; V35-K39 WeakPolarHBondContact O-CB 3.33Å; V35-K39 VanDerWaalsContact O-CG 3.28Å; V35-K39 WeakPolarHBondContact O-CG 3.28Å; V35-K39 PolarHBondContact O-N 3.32Å; Y36-K39 HydrophobicContact CD1-CD 4.35Å; Y36-K39 PolarHBondContact O-N 3.1Å; K39-S42 PolarHBondContact O-N 3.13Å; K39-A43 WeakPolarHBondContact O-CB 3.49Å; K39-A43 PolarHBondContact O-N 3.12Å
40L91.5Very high82.4Confident0 Ų085.5 Ų85.50%045%0.45CS..Hα-helixtrans-67.1-45.2178.2-175.664.7000111.5V6 L9 L14 K17 L18 H21 Y36 E37 S42 A43 L44V6-L40 HydrophobicContact CG1-CB 4.11Å; V6-L40 HydrophobicContact CG1-CD2 3.81Å; V6-L40 HydrophobicContact CG1-CG 4.33Å; V6-L40 HydrophobicContact CG2-CD2 3.98Å; V6-L40 HydrophobicContact CG2-CG 4.2Å; L9-L40 HydrophobicContact CD1-CD2 3.92Å; L14-L40 HydrophobicContact CD1-CB 4.3Å; L14-L40 HydrophobicContact CD1-CD2 3.89Å; K17-L40 HydrophobicContact CB-CD1 3.78Å; K17-L40 HydrophobicContact CB-CD2 3.69Å; K17-L40 HydrophobicContact CB-CG 4.44Å; K17-L40 HydrophobicContact CD-CD2 3.79Å; K17-L40 HydrophobicContact CG-CD2 4.37Å; L18-L40 HydrophobicContact CD2-CB 4.03Å; L18-L40 HydrophobicContact CD2-CD1 4.49Å; L18-L40 HydrophobicContact CG-CB 4.47Å; H21-L40 WeakPolarHBondContact CD2-CD1 3.37Å; Y36-L40 WeakPolarHBondContact O-CB 3.5Å; Y36-L40 PolarHBondContact O-N 2.98Å; E37-L40 PolarHBondContact O-N 2.93Å; L40-S42 PolarHBondContact O-N 3.32Å; L40-A43 PolarHBondContact O-N 2.87Å; L40-A43 VanDerWaalsContact O-N 3.1Å; L40-L44 HydrophobicContact CD1-CG 4.45Å; L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 HydrophobicContact CG-CG 4.42Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 2.8Å
41K89.9Confident80.5Confident85 Ų8585.7 Ų85.737%0.3745%0.449SS..Hα-helixtrans-55.6-40.4173.7-74.2174.1-176.7174.60111.5V6 E37 E38 K45V6-K41 HydrophobicContact CB-CG 3.98Å; V6-K41 HydrophobicContact CG1-CG 4.44Å; V6-K41 HydrophobicContact CG2-CG 3.74Å; E37-K41 WeakPolarHBondContact O-CB 3.23Å; E37-K41 VanDerWaalsContact O-CG 3.27Å; E37-K41 WeakPolarHBondContact O-CG 3.22Å; E37-K41 PolarHBondContact O-N 3.41Å; E38-K41 PolarHBondContact O-N 3.35Å; K41-K45 VanDerWaalsContact O-CG 3.25Å; K41-K45 WeakPolarHBondContact O-CG 3.47Å; K41-K45 PolarHBondContact O-N 3.16Å; K41-K45 VanDerWaalsContact O-N 3.07Å
42S87Confident78.6Confident48 Ų4887.1 Ų87.134%0.33645%0.451SS..Hα-helixtrans-68.2-39.9177.4-59.70000112.2E38 K39 L40 R46E38-S42 WeakPolarHBondContact O-CB 3.22Å; E38-S42 PolarHBondContact O-N 3.04Å; E38-S42 PolarHBondContact O-OG 3.36Å; K39-S42 PolarHBondContact O-N 3.13Å; L40-S42 PolarHBondContact O-N 3.32Å; S42-R46 WeakPolarHBondContact O-CB 3.42Å; S42-R46 WeakPolarHBondContact O-CG 3.5Å; S42-R46 PolarHBondContact O-N 2.68Å
43A86.1Confident76.2Confident16 Ų1689.1 Ų89.113%0.13247%0.468CS..Hα-helixtrans-66.7-38175.900000112.4H21 F23 K39 L40 R46H21-A43 HydrophobicContact CB-CB 4.11Å; F23-A43 HydrophobicContact CE2-CB 3.94Å; K39-A43 WeakPolarHBondContact O-CB 3.49Å; K39-A43 PolarHBondContact O-N 3.12Å; L40-A43 PolarHBondContact O-N 2.87Å; L40-A43 VanDerWaalsContact O-N 3.1Å; A43-R46 CarbonylContact O-C 3.21Å; A43-R46 PolarHBondContact O-N 3.11Å
44L85.5Confident74.2Confident56 Ų5690.9 Ų90.929%0.29350%0.495SS..Hα-helixtrans-69.5-39.5176.9-69.2171.6000112.4E4 V6 L40 R46E4-L44 HydrophobicContact CB-CD1 4.49Å; V6-L44 HydrophobicContact CG2-CD1 3.94Å; L40-L44 HydrophobicContact CD1-CG 4.45Å; L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 HydrophobicContact CG-CG 4.42Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 2.8Å; L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 2.96Å
45K83.6Confident72.1Confident174 Ų17492.9 Ų92.976%0.75750%0.502SS*.Hα-helixtrans-66.7-32.2174.4-72.2173.4-177.2-175.40112.2K41K41-K45 VanDerWaalsContact O-CG 3.25Å; K41-K45 WeakPolarHBondContact O-CG 3.47Å; K41-K45 PolarHBondContact O-N 3.16Å; K41-K45 VanDerWaalsContact O-N 3.07Å
46R71.2Confident70.1Confident189 Ų189101.2 Ų101.271%0.71353%0.526SS*.SBendtrans-104.470.9179.5-61.7179.5-177.8139.1-0.6109.9S42 A43 L44S42-R46 WeakPolarHBondContact O-CB 3.42Å; S42-R46 WeakPolarHBondContact O-CG 3.5Å; S42-R46 PolarHBondContact O-N 2.68Å; A43-R46 CarbonylContact O-C 3.21Å; A43-R46 PolarHBondContact O-N 3.11Å; L44-R46 VanDerWaalsContact C-N 3.29Å; L44-R46 PolarHBondContact O-N 2.96Å
47T55.3Low68.2Low105 Ų105107.2 Ų107.264%0.64455%0.553SS**  trans-49.5145.9166.7520000111.1
48P50.3Low66.1Low112 Ų112113.8 Ų113.873%0.72759%0.587SS**SBend-104.4118.1-100.834.5-25.8000112
49V51.8Low64.2Low138 Ų138115.6 Ų115.684%0.83660%0.6SS**  trans-147.4127.5161.2-1550000110.4
50E52.8Low62.9Low138 Ų138116 Ų11665%0.64561%0.612SS**  trans89.7103.6163.9-57-145.6111.200119.3L52E50-L52 HydrophobicContact CB-CG 4.02Å; E50-L52 PolarHBondContact O-N 2.77Å
51P51.2Low61.4Low102 Ų102121.1 Ų121.166%0.66265%0.645SS**  trans-69.183.2155.232-32.4000108.9S53P51-S53 PolarHBondContact O-N 3.26Å
52L51Low60.1Low142 Ų142122.8 Ų122.874%0.74367%0.665SS**  trans-73.547.4170.8-76.4166.6000111.5E50E50-L52 HydrophobicContact CB-CG 4.02Å; E50-L52 PolarHBondContact O-N 2.77Å
53S44.5Very low58.7Low87 Ų87132.1 Ų132.161%0.60869%0.693SS**SBendtrans-152.954.3-177.5-66.90000112.5P51P51-S53 PolarHBondContact O-N 3.26Å
54A51.7Low57.1Low96 Ų96140 Ų14079%0.79373%0.729SS**SBendtrans-149.4-14163.100000115.1
55D47.4Very low55.8Low126 Ų126140.9 Ų140.967%0.67474%0.744SS**  trans-129.375.3-178.8-116.4-64.6000110K57D55-K57 HydrophobicContact CB-CG 4.2Å; D55-K57 PolarHBondContact O-N 3.07Å; D55-K57 WeakPolarHBondContact OD1-CE 3.47Å; D55-K57 WeakPolarHBondContact OD1-CG 3.36Å
56R51.3Low54.4Low247 Ų247138 Ų13893%0.93274%0.743SS**  trans-68.572.9146.5-66.9179.495.8135.32.3105.7I58R56-I58 PolarHBondContact O-N 2.91Å
57K56.2Low53.8Low155 Ų155135.8 Ų135.867%0.67474%0.744SS**  trans-50.3118.1155.6-67.6-172.8-176.1-173.50104D55 L59D55-K57 HydrophobicContact CB-CG 4.2Å; D55-K57 PolarHBondContact O-N 3.07Å; D55-K57 WeakPolarHBondContact OD1-CE 3.47Å; D55-K57 WeakPolarHBondContact OD1-CG 3.36Å; K57-L59 PolarHBondContact O-N 3.11Å
58I48.2Very low53.7Low163 Ų163138.2 Ų138.284%0.83675%0.753SS**  trans-48.794.4168.2-64.5152.5000105.2R56 P60R56-I58 PolarHBondContact O-N 2.91Å; I58-P60 WeakPolarHBondContact O-CD 3.34Å
59L50.9Low54.4Low155 Ų155139.1 Ų139.181%0.81275%0.751SS**PPolyproline II helixtrans-65.7119.4168.9-89.2159.8000104.1K57K57-L59 PolarHBondContact O-N 3.11Å
60P63.1Low54.4Low102 Ų102141.6 Ų141.666%0.66275%0.754SS**PPolyproline II helixtrans-57.2138.617424-31.2000107.8I58I58-P60 WeakPolarHBondContact O-CD 3.34Å
61P60.8Low54.8Low108 Ų108139.4 Ų139.470%0.70175%0.753SS**PPolyproline II helixtrans-53.5142.1176.223.3-32.6000108.9R63P61-R63 PolarHBondContact O-N 2.85Å
62P61.4Low55.2Low119 Ų119141.8 Ų141.877%0.77376%0.76SS**  trans-57.3111.8-176.424.6-32.5000108.2M64P62-M64 PolarHBondContact O-N 2.91Å
63R58.4Low56Low245 Ų245142.8 Ų142.893%0.92576%0.761SS**  trans-67.7103.1165.5-77.9-177.5165.6172.1-4.1105.4P61 A65P61-R63 PolarHBondContact O-N 2.85Å; R63-A65 VanDerWaalsContact C-N 3.35Å; R63-A65 PolarHBondContact O-N 3.25Å
64M53.1Low56.5Low182 Ų182147 Ų14790%0.89777%0.772SS**  trans-60.7100.1171.5-63.8-165.772.600108.1P62P62-M64 PolarHBondContact O-N 2.91Å
65A58.7Low57Low73 Ų73147.5 Ų147.560%0.60377%0.765SS**  trans-85124.1160.300000106.3R63 L67R63-A65 VanDerWaalsContact C-N 3.35Å; R63-A65 PolarHBondContact O-N 3.25Å; A65-L67 PolarHBondContact O-N 3.44Å
66P53.8Low57.7Low115 Ų115150.2 Ų150.275%0.74777%0.773SS**  trans-64.1118.7170.8-13.127.5000107.7
67L58.5Low58.2Low141 Ų141147.1 Ų147.174%0.73877%0.769SS**  trans-122.4104.2166.9-71.9178.4000107A65 I69A65-L67 PolarHBondContact O-N 3.44Å; L67-I69 PolarHBondContact O-N 3.44Å; L67-I69 VanDerWaalsContact O-N 3.1Å
68D53.2Low58.5Low156 Ų156148.8 Ų148.883%0.83478%0.78SS**  trans-57.8101.8164.2-52.8-75.4000108.1
69I63.8Low58.9Low132 Ų132147.5 Ų147.568%0.67777%0.774SS**  trans-13394.8167.4-59.1174.7000106.2L67 S71L67-I69 PolarHBondContact O-N 3.44Å; L67-I69 VanDerWaalsContact O-N 3.1Å; I69-S71 PolarHBondContact O-N 3.05Å
70E53.1Low59.4Low190 Ų190149.4 Ų149.489%0.88878%0.776SS**  trans-70.9109.2164-50.6-166.4127.700106.6
71S61.5Low59.2Low92 Ų92151.9 Ų151.964%0.64378%0.778SS**  trans-150.8104.5165.1-73.80000108.5I69I69-S71 PolarHBondContact O-N 3.05Å
72D59Low59.2Low151 Ų151149.5 Ų149.581%0.80777%0.774SS**  trans-72.9113173.1-169.1-111.6000107.8
73E66.6Low58.9Low164 Ų164152.2 Ų152.277%0.76678%0.776SS**  trans-145.9113.6161.952.7-164.6103.900110.6T75E73-T75 PolarHBondContact O-N 2.78Å
74E55.7Low58.8Low176 Ų176149.3 Ų149.382%0.82277%0.773SS**  trans-65.5109.4-177.8-44.1177.5128.900108.4
75T61.5Low58.5Low106 Ų106145.2 Ų145.265%0.6576%0.762SS**  trans-124.8100.1169.8-58.70000108.9E73 E77E73-T75 PolarHBondContact O-N 2.78Å; T75-E77 PolarHBondContact O-N 3.03Å; T75-E77 VanDerWaalsContact O-N 3.16Å
76E62.2Low58.4Low182 Ų182150.2 Ų150.285%0.8577%0.771SS**  trans-63.7101.8172.3-58.4-85.5101.900108.9
77E63Low58.3Low182 Ų182155.6 Ų155.685%0.8578%0.776SS**  trans-95.8101.4168.428.2-159.6143.100110.1T75T75-E77 PolarHBondContact O-N 3.03Å; T75-E77 VanDerWaalsContact O-N 3.16Å
78E61.7Low58.3Low190 Ų190152.3 Ų152.389%0.88877%0.769SS**  trans-64.7135.9175.5-72.6-145.2128.900113
79L56.7Low58.4Low136 Ų136151.1 Ų151.171%0.71277%0.767SS**  trans-20.4130.4158.1-141.281000116.6E81L79-E81 HydrophobicContact CD2-CG 4.22Å; L79-E81 HydrophobicContact CG-CG 4.13Å
80F61.5Low57.7Low196 Ų196149.7 Ų149.786%0.8677%0.769SS**  trans-137.493.2145.4-165.3-103.3000110.6G82F80-G82 PolarHBondContact O-N 3.04Å
81E58.1Low57.7Low153 Ų153147.6 Ų147.672%0.71576%0.764SS**  trans-75.397.7165.6-67.6-179.9145.600108.2L79L79-E81 HydrophobicContact CD2-CG 4.22Å; L79-E81 HydrophobicContact CG-CG 4.13Å
82G61Low57.3Low58 Ų58147.5 Ų147.560%0.59876%0.763SS**  trans-9784.6177.100000111.8F80 E84F80-G82 PolarHBondContact O-N 3.04Å; G82-E84 PolarHBondContact O-N 3.18Å
83E55.9Low57Low176 Ų176148.5 Ų148.582%0.82276%0.763SS**  trans-77.195.8167.448.4175.1101.700110.9S85E83-S85 PolarHBondContact O-N 3.28Å
84E55.7Low56.4Low185 Ų185146.2 Ų146.286%0.86476%0.76SS**  trans-9287.9173.8-154.8166.410500111.1G82 F86G82-E84 PolarHBondContact O-N 3.18Å; E84-F86 PolarHBondContact O-N 3.4Å
85S47.3Very low56.1Low95 Ų95146.4 Ų146.466%0.66476%0.761SS**  trans-71.6103.4166.2174.30000109.9E83 R87E83-S85 PolarHBondContact O-N 3.28Å; S85-R87 PolarHBondContact O-N 3.22Å
86F56.7Low55.8Low179 Ų179145 Ų14579%0.78576%0.755SS**  trans-85.895.3174.3-158-96.7000110.6E84 A88E84-F86 PolarHBondContact O-N 3.4Å; F86-A88 HydrophobicContact CE1-CB 4.11Å; F86-A88 HydrophobicContact CZ-CB 4.45Å
87R51.1Low55.4Low228 Ų228144.8 Ų144.886%0.8676%0.755SS**  trans-102.4116.8161.2-74.9-164.6170.5-147.5-0.5109.8S85S85-R87 PolarHBondContact O-N 3.22Å
88A58.4Low55.1Low72 Ų72146.2 Ų146.260%0.59575%0.752SS**  trans-154.393.5159.900000106.3F86F86-A88 HydrophobicContact CE1-CB 4.11Å; F86-A88 HydrophobicContact CZ-CB 4.45Å
89V56.2Low54.7Low130 Ų130141.4 Ų141.479%0.78875%0.745SS**  50.1105.582.4-157.30000113.4
90S49.1Very low54.5Low103 Ų103140.1 Ų140.172%0.7275%0.747SS**  trans33.8129.9145.5-500000121.8
91D53Low53.7Low146 Ų146136.5 Ų136.578%0.78174%0.744SS**  -172111.5114.8-111.1-74.3000107.7
92S52Low53Low89 Ų89133.5 Ų133.562%0.62275%0.745SS**  75.7115.895.7-54.20000114
93E53Low52.5Low173 Ų173140.3 Ų140.381%0.80876%0.761SS**  trans30.6117.7141.5-60-176.875.600117.1
94T55.3Low51.8Low116 Ų116136.5 Ų136.571%0.71275%0.753SS**  171.4126.281.532.80000105.1
95E49.7Very low51.2Low179 Ų179136.9 Ų136.984%0.83675%0.752SS**  92144.3106.6-167.5171.4105.200112.7
96S53.6Low51.1Low76 Ų76138.6 Ų138.653%0.53176%0.759SS.*  trans89.184.4160.3-1130000118.1
97Q54.7Low50.7Low178 Ų178138.4 Ų138.483%0.83277%0.765SS**  68.4140.2115.4-67.716819.700117.9
98R55.8Low50.5Low213 Ų213132.2 Ų132.280%0.80476%0.756SS**  cis175128.6-11.7174.1174.4-175.3-143.6-1.2104.1
99A53.8Low50.1Low89 Ų89137.8 Ų137.874%0.73677%0.769SS**  trans62.3151.8151.300000119.1
100S51.8Low50Low108 Ų108141.7 Ų141.776%0.75577%0.77SS**  cis-171.2155.6-21.852.10000105.2
101P46.4Very low50.1Low121 Ų121145.2 Ų145.279%0.78678%0.775SS**  trans-95.7159.1-162.934.9-27.8000114.1
102A43.5Very low49.8Very low90 Ų90146.4 Ų146.474%0.74478%0.78SS**  trans57.395.315200000118.6
103Q50Low50.1Low200 Ų200150.7 Ų150.794%0.93579%0.787SS**  trans-115.7108.3138.7-78.6-172.8-6.300108.2
104C39.9Very low50.1Low97 Ų97150.8 Ų150.866%0.65579%0.788SS**  trans-76.3157.4164.5-68.10000109.9
105F44.4Very low49.4Very low192 Ų192153.5 Ų153.584%0.84279%0.792SS**  trans98.7116.4155.1-60.3-76.8000118.8
106T44.2Very low49.5Very low131 Ų131153.2 Ų153.280%0.80480%0.795SS**  trans70.276.8159.170.30000118.8C108T106-C108 VanDerWaalsContact C-N 3.28Å; T106-C108 PolarHBondContact O-N 3.39Å; T106-C108 VanDerWaalsContact O-N 3.07Å
107L49.1Very low49.1Very low176 Ų176155.6 Ų155.692%0.92181%0.806SS**  trans-72.788.1150.7-108.2160.5000109
108C46.5Very low48.5Very low98 Ų98155.3 Ų155.366%0.66281%0.809SS**  trans-76.2115.2159.9-161.90000107T106 R110T106-C108 VanDerWaalsContact C-N 3.28Å; T106-C108 PolarHBondContact O-N 3.39Å; T106-C108 VanDerWaalsContact O-N 3.07Å; C108-R110 PolarHBondContact O-N 2.91Å
109E49.7Very low48.4Very low188 Ų188150.2 Ų150.288%0.87981%0.812SS**  trans-65.281.3-177.1-67.7177.5102.100112.5
110R55.1Low48.2Very low212 Ų212155.2 Ų155.280%0.882%0.818SS**  trans-147.3119.1164.2-64.9-170.9-171.8147.96.4112.2C108C108-R110 PolarHBondContact O-N 2.91Å
111H50.6Low47.7Very low178 Ų178156 Ų15682%0.82482%0.822SS**  trans73.991.6155.8-71.1110.7000119.1K113H111-K113 PolarHBondContact O-N 3.31Å
112L45.8Very low47.5Very low171 Ų171155.6 Ų155.690%0.89582%0.822SS**  trans-48.2107.1148.2-165.778.2000110.9
113K58.6Low48.1Very low178 Ų178157.4 Ų157.477%0.77483%0.829SS**  trans-177113153.8-98.6153.4-170.7-172.30111.9H111H111-K113 PolarHBondContact O-N 3.31Å
114Q52.9Low48.3Very low175 Ų175156.8 Ų156.882%0.81883%0.826SS**  trans78.8125.5138.3-60.3173.7-11.400121.1
115H41.1Very low48.7Very low173 Ų173158.2 Ų158.280%0.80183%0.834SS**  trans67.8110.4150.1-93.6-94.6000120.2
116I52.5Low49.3Very low174 Ų174160.7 Ų160.789%0.89284%0.838SS**  trans-122.8117158.8-73.9174000109.3
117V45.6Very low49.8Very low126 Ų126160.1 Ų160.176%0.76484%0.839SS**  trans-99136.5171.91710000108.2
118L41.4Very low49.7Very low171 Ų171156.2 Ų156.290%0.89583%0.832SS**  trans-67.5139.8-177.8-68160.5000113.1
119A53.5Low50.1Low106 Ų106159.2 Ų159.288%0.87684%0.836SS**  trans-139.6132.3159.600000111.8
120K48.6Very low50.3Low195 Ų195156.6 Ų156.685%0.84883%0.833SS**  trans-89.4148.2178.5-76.6161.7164.6171.10110.7
121C42.6Very low50.3Low125 Ų125153.7 Ų153.785%0.84583%0.828SS**  trans179.8113.5140.8-110.70000108.4
122S41.9Very low50.5Low112 Ų112156.1 Ų156.178%0.78383%0.83SS**  66.591.476.1178.20000113.7
123S55.8Low51.2Low127 Ų127154.9 Ų154.989%0.88882%0.823SS**  trans-168.4143.2140.5-119.90000112
124Q53.6Low51.2Low187 Ų187153.8 Ų153.887%0.87482%0.82SS**PPolyproline II helixtrans-70.4161.4-158.2-69.6-179.4-11.100117.4
125P49.2Very low51.6Low128 Ų128151.7 Ų151.783%0.83182%0.82SS**PPolyproline II helixtrans-89.8135.7178.835.5-30.2000112.3
126R57.2Low52.8Low244 Ų244149.6 Ų149.692%0.92181%0.813SS**PPolyproline II helixtrans-94126.3169.2-83.4-177.2161.1-167.4-5110.4
127S53.7Low53.5Low119 Ų119146.9 Ų146.983%0.83281%0.807SS**  trans15.6124.6160.2-570000120.1E129S127-E129 PolarHBondContact O-N 3.39Å
128A47.9Very low54.4Low94 Ų94151.5 Ų151.578%0.77781%0.812SS**  trans-61.3119.8168.200000112.3
129E54.5Low55.3Low160 Ų160148.2 Ų148.275%0.74880%0.804SS**  trans-109.899.4161.3-167104.6140.800106.9S127 H131S127-E129 PolarHBondContact O-N 3.39Å; E129-H131 VanDerWaalsContact C-N 3.34Å; E129-H131 PolarHBondContact O-N 2.84Å
130V54Low55.9Low133 Ų133148.4 Ų148.481%0.80679%0.794SS**  trans-75.189.2177.7-178.40000107.8R132V130-R132 PolarHBondContact O-N 3.16Å
131H56.5Low56.6Low152 Ų152145.4 Ų145.470%0.70479%0.792SS**  trans-65.999.7168-80.1106.3000108.9E129 I133E129-H131 VanDerWaalsContact C-N 3.34Å; E129-H131 PolarHBondContact O-N 2.84Å; H131-I133 PolarHBondContact O-N 3.11Å
132R53Low57.6Low229 Ų229146.5 Ų146.586%0.86479%0.788SS**  trans-57.795.7168.5-165.2178.1-168.4153.61.5108.3V130 Q134V130-R132 PolarHBondContact O-N 3.16Å; R132-Q134 PolarHBondContact O-N 3.43Å
133I61.4Low58.7Low145 Ų145146.1 Ų146.174%0.74478%0.777SS**  trans-63.9104.1171.8-60.7175.4000106.6H131 V135H131-I133 PolarHBondContact O-N 3.11Å; I133-V135 HydrophobicContact CG2-CG2 4.46Å; I133-V135 PolarHBondContact O-N 3.01Å; I133-V135 VanDerWaalsContact O-N 3.16Å
134Q58.6Low59Low154 Ų154145.5 Ų145.572%0.7277%0.77SS**  trans-69.9105.8166.7-67.9-172.524.400107.1R132 L136R132-Q134 PolarHBondContact O-N 3.43Å; Q134-L136 PolarHBondContact O-N 3.4Å; Q134-L136 VanDerWaalsContact O-N 3.08Å
135V62.2Low59.4Low132 Ų132144.8 Ų144.880%0.877%0.767SS**  trans-73.297.8168.5-175.70000106.4I133I133-V135 HydrophobicContact CG2-CG2 4.46Å; I133-V135 PolarHBondContact O-N 3.01Å; I133-V135 VanDerWaalsContact O-N 3.16Å
136L64.9Low59.8Low128 Ų128149 Ų14967%0.6777%0.766SS**  trans-71.3135.5173.4-66.8174.1000109.2Q134 Y138Q134-L136 PolarHBondContact O-N 3.4Å; Q134-L136 VanDerWaalsContact O-N 3.08Å; L136-Y138 PolarHBondContact O-N 2.81Å
137P67.3Low59.7Low117 Ų117145.8 Ų145.876%0.7676%0.761SS**  trans-65.5120.117327.4-31.9000108.8S139P137-S139 PolarHBondContact O-N 3.11Å
138Y65.3Low59.9Low223 Ų223151 Ų15188%0.87576%0.763SS**  trans-68.197.7171.1-123-95.8000108.1L136 V140L136-Y138 PolarHBondContact O-N 2.81Å; Y138-V140 HydrophobicContact CD1-CG2 4.29Å; Y138-V140 PolarHBondContact O-N 3.44Å
139S60.1Low60.5Low102 Ų102155.2 Ų155.271%0.71377%0.766SS**  trans-80101.5165.546.60000108.3P137 T141P137-S139 PolarHBondContact O-N 3.11Å; S139-T141 PolarHBondContact O-N 2.85Å; S139-T141 VanDerWaalsContact O-N 3.12Å
140V64.7Low60.5Low111 Ų111159.5 Ų159.567%0.67378%0.776SS**  trans-76.794.2168.31800000107.3Y138 I142Y138-V140 HydrophobicContact CD1-CG2 4.29Å; Y138-V140 PolarHBondContact O-N 3.44Å; V140-I142 HydrophobicContact CG1-CG1 4.08Å; V140-I142 PolarHBondContact O-N 2.87Å; V140-I142 VanDerWaalsContact O-N 3.11Å
141T64.6Low60.8Low132 Ų132161.2 Ų161.281%0.8178%0.777SS**  trans-71.598.8166.940000108S139 D143S139-T141 PolarHBondContact O-N 2.85Å; S139-T141 VanDerWaalsContact O-N 3.12Å; T141-D143 PolarHBondContact O-N 2.7Å; T141-D143 VanDerWaalsContact O-N 3.12Å
142I63.6Low61.4Low148 Ų148159 Ų15976%0.75978%0.776SS**  trans-71.4104.3170.1-61.2175000106.8V140 P144V140-I142 HydrophobicContact CG1-CG1 4.08Å; V140-I142 PolarHBondContact O-N 2.87Å; V140-I142 VanDerWaalsContact O-N 3.11Å; I142-P144 VanDerWaalsContact O-CD 3.23Å; I142-P144 WeakPolarHBondContact O-CD 3.35Å
143D64Low62.1Low103 Ų103153.3 Ų153.355%0.55177%0.769SS**  trans-70110.2177.6-159.5-40.2000109.9T141 Q145 R146T141-D143 PolarHBondContact O-N 2.7Å; T141-D143 VanDerWaalsContact O-N 3.12Å; D143-Q145 PolarHBondContact O-N 2.87Å; D143-Q145 VanDerWaalsContact O-N 3.13Å; D143-Q145 PolarHBondContact OD1-N 2.95Å; D143-R146 PolarHBondContact O-N 3.13Å
144P63.6Low62.1Low115 Ų115153.3 Ų153.375%0.74778%0.776SS**G310 helixtrans-69.3-9.8-17528.5-33.1000112.9I142I142-P144 VanDerWaalsContact O-CD 3.23Å; I142-P144 WeakPolarHBondContact O-CD 3.35Å
145Q61.7Low62.2Low172 Ų172149.9 Ų149.980%0.80477%0.769SS**G310 helixtrans-85.3-10.2177.9-85.7-175.2-8300114.7D143 H147D143-Q145 PolarHBondContact O-N 2.87Å; D143-Q145 VanDerWaalsContact O-N 3.13Å; D143-Q145 PolarHBondContact OD1-N 2.95Å; Q145-H147 VanDerWaalsContact C-N 3.27Å; Q145-H147 PolarHBondContact O-N 3.27Å
146R57.2Low62Low216 Ų216150.8 Ų150.882%0.81577%0.769SS**G310 helixtrans-80.8-6.7-179.7-143.9171.9-173.3-921.3113.8D143 R148D143-R146 PolarHBondContact O-N 3.13Å; R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 3.31Å
147H55.1Low61.5Low176 Ų176154.4 Ų154.482%0.81578%0.78SS**THydrogen-bonded Turntrans-89.635.5-177.3-154.6-67.5000114.1Q145Q145-H147 VanDerWaalsContact C-N 3.27Å; Q145-H147 PolarHBondContact O-N 3.27Å
148R57.8Low61.4Low230 Ų230153.9 Ų153.987%0.86878%0.777SS**THydrogen-bonded Turntrans-133.75.5179-93.6-167.7178-125.31.8116.9R146R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 3.31Å
149Q60Low61.2Low182 Ų182148.6 Ų148.685%0.8577%0.772SS**  trans-127.713.1-172.7-72.5-168.447.600117
150W54.5Low61.3Low249 Ų249155 Ų15594%0.94378%0.781SS**  trans-104.768.5166-82.671000110.3
151M60.7Low61.4Low170 Ų170158.4 Ų158.484%0.83779%0.787SS**PPolyproline II helixtrans-96.2121.5155.2-67.8-146.4115.500107.2
152P68.4Low61.2Low105 Ų105162.1 Ų162.168%0.68279%0.792SS**PPolyproline II helixtrans-61.6141.717027.4-32.3000108.4T154P152-T154 PolarHBondContact O-N 3.12Å
153P68.1Low61.4Low110 Ų110160.4 Ų160.471%0.71479%0.788SS**PPolyproline II helixtrans-58.9118.4172.224.8-31.9000108.2S155P153-S155 PolarHBondContact O-N 3.01Å
154T62.5Low61.6Low144 Ų144160 Ų16088%0.88380%0.8SS**  trans-73.468.3165.552.60000107.8P152P152-T154 PolarHBondContact O-N 3.12Å
155S61.2Low61.8Low83 Ų83162.2 Ų162.258%0.5880%0.802SS**  trans-87.8108.417156.90000108.3P153 F157P153-S155 PolarHBondContact O-N 3.01Å; S155-F157 PolarHBondContact O-N 3.36Å
156D57.3Low62.4Low150 Ų150159.4 Ų159.480%0.80280%0.798SS**  trans36.882.6146.3-82.3-90.3000116.5P158D156-P158 WeakPolarHBondContact O-CD 3.48Å
157F54.3Low63.2Low204 Ų204159 Ų15990%0.89580%0.802SS**  trans-75.6112147.7-97.2-87.8000107.5S155 S159S155-F157 PolarHBondContact O-N 3.36Å; F157-S159 PolarHBondContact O-N 3.21Å
158P64.8Low63.8Low107 Ų107161.8 Ų161.870%0.69581%0.806SS**  trans-61.9117169.325-30.8000107.1D156 R160D156-P158 WeakPolarHBondContact O-CD 3.48Å; P158-R160 VanDerWaalsContact C-N 3.33Å; P158-R160 PolarHBondContact O-N 2.91Å
159S61Low64.5Low112 Ų112162.4 Ų162.478%0.78381%0.808SS**  trans-49.799.8171.5-163.10000108.1F157 K161F157-S159 PolarHBondContact O-N 3.21Å; S159-K161 VanDerWaalsContact C-N 3.25Å; S159-K161 PolarHBondContact O-N 3.07Å
160R62.9Low64.9Low235 Ų235161.6 Ų161.689%0.88781%0.809SS**  trans-70.793.6179.1-154.3176.6-157.2-1365.3105.4P158 F162P158-R160 VanDerWaalsContact C-N 3.33Å; P158-R160 PolarHBondContact O-N 2.91Å; R160-F162 PolarHBondContact O-N 3.26Å
161K66.6Low65.6Low184 Ų184154.8 Ų154.880%0.880%0.799SS**  trans-45.5109.5175.3-59179.7-176.3179.40107.6S159 T163S159-K161 VanDerWaalsContact C-N 3.25Å; S159-K161 PolarHBondContact O-N 3.07Å; K161-T163 VanDerWaalsContact C-N 3.3Å; K161-T163 PolarHBondContact O-N 3.38Å
162F60.7Low65.7Low209 Ų209153.2 Ų153.292%0.91780%0.799SS**  trans-61.699.6165.6-104.5-94.8000106.3R160 A164R160-F162 PolarHBondContact O-N 3.26Å; F162-A164 PolarHBondContact O-N 3.16Å
163T67.4Low65.6Low112 Ų112157.3 Ų157.369%0.68781%0.806SS**  trans-69.6113.8165.544.70000106.7K161 M165K161-T163 VanDerWaalsContact C-N 3.3Å; K161-T163 PolarHBondContact O-N 3.38Å; T163-M165 PolarHBondContact O-N 3.08Å; T163-M165 VanDerWaalsContact O-N 3.13Å
164A68.3Low65.6Low95 Ų95157 Ų15779%0.78581%0.812SS**PPolyproline II helixtrans-54.5117175.800000109.7F162F162-A164 PolarHBondContact O-N 3.16Å
165M67.5Low65.9Low162 Ų162156.3 Ų156.380%0.79880%0.804SS**PPolyproline II helixtrans-65.2131.3168.8-80.1-81138.900109.2T163 K167T163-M165 PolarHBondContact O-N 3.08Å; T163-M165 VanDerWaalsContact O-N 3.13Å; M165-K167 PolarHBondContact O-N 3.27Å
166P73.9Confident66.2Low112 Ų112161.3 Ų161.373%0.72784%0.838SS**PPolyproline II helixtrans-68.6122.7175.926.3-31000109.8R168P166-R168 PolarHBondContact O-N 2.97Å
167K74Confident66.6Low207 Ų207161.9 Ų161.990%0.984%0.84SS**  trans-60.6103.9169.5-72.9179.2177.4177.10108.6M165 R169M165-K167 PolarHBondContact O-N 3.27Å; K167-R169 PolarHBondContact O-N 2.93Å
168R68Low67.3Low235 Ų235159.6 Ų159.689%0.88784%0.837SS**  trans-64.5102.3166.8-85.3-178.7136160.6-4.2108.5P166 L170P166-R168 PolarHBondContact O-N 2.97Å; R168-L170 PolarHBondContact O-N 3.21Å; R168-L170 VanDerWaalsContact O-N 3.16Å
169R72.1Confident67.4Low244 Ų244162.6 Ų162.692%0.92185%0.845SS**  trans-69.696.9168.4-165.7177.4175.1-160.8-2107.2K167 S171K167-R169 PolarHBondContact O-N 2.93Å; R169-S171 PolarHBondContact O-N 2.93Å
170L69.4Low67.8Low164 Ų164165.5 Ų165.586%0.85985%0.849SS**PPolyproline II helixtrans-76.3119.6168.5-77.6168.8000107.9R168 V172R168-L170 PolarHBondContact O-N 3.21Å; R168-L170 VanDerWaalsContact O-N 3.16Å; L170-V172 PolarHBondContact O-N 2.99Å
171S68.8Low68.1Low106 Ų106161.2 Ų161.274%0.74185%0.846SS**PPolyproline II helixtrans-60.6128.7-179.1-162.10000110.2R169 K173R169-S171 PolarHBondContact O-N 2.93Å; S171-K173 PolarHBondContact O-N 3.47Å
172V61.7Low68.2Low137 Ų137159.7 Ų159.783%0.8385%0.849SS**PPolyproline II helixtrans-52.4130.9155.7-83.70000108.8L170L170-V172 PolarHBondContact O-N 2.99Å
173K66.6Low68.7Low191 Ų191156.1 Ų156.183%0.8385%0.845SS**  trans-12689.3165.4-148.4169179.9174.10105.1S171S171-K173 PolarHBondContact O-N 3.47Å
174A68.4Low68.8Low103 Ų103159.5 Ų159.585%0.85186%0.857SS**  trans-78.2119.816100000105.5
175D68.3Low68.9Low131 Ų131164.9 Ų164.970%0.70186%0.863SS**  trans-133120170.6-147.6-68.1000106.8
176S67.7Low69Low187 Ų187165.2 Ų165.2100%1.30887%0.869SS**  trans50.70167-60.70000120

Retrieved 176 of 176 residues in 32.7 ms (Link to these results)

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