A0A077ZJC8_TRITR Loading...

PALP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 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
1C86.4Confident95.3Very high128 Ų12870.9 Ų70.987%0.86543%0.427SS*.  076.40-167.20000108.1S3 V4C1-S3 PolarHBondContact O-N 3.05Å; C1-V4 HydrophobicContact CB-CB 4.29Å; C1-V4 WeakPolarHBondContact O-CB 3.22Å; C1-V4 VanDerWaalsContact O-CG1 3.22Å; C1-V4 WeakPolarHBondContact O-CG1 3.47Å; C1-V4 PolarHBondContact O-N 2.98Å
2P93.4Very high95.1Very high140 Ų14071.2 Ų71.291%0.90942%0.42SS*.THydrogen-bonded Turntrans-69.3-20.5-168.528.2-35.3000113.9
3S94Very high94.8Very high103 Ų10367.1 Ų67.172%0.7240%0.402SS*.THydrogen-bonded Turntrans-91.65.4178.560.50000113.7C1C1-S3 PolarHBondContact O-N 3.05Å
4V96.6Very high94.7Very high75 Ų7562.3 Ų62.346%0.45537%0.373SS..PPolyproline II helixtrans-65.5142.5177.173.50000109.4C1 I6C1-V4 HydrophobicContact CB-CB 4.29Å; C1-V4 WeakPolarHBondContact O-CB 3.22Å; C1-V4 VanDerWaalsContact O-CG1 3.22Å; C1-V4 WeakPolarHBondContact O-CG1 3.47Å; C1-V4 PolarHBondContact O-N 2.98Å; V4-I6 HydrophobicContact CG1-CD1 3.93Å; V4-I6 HydrophobicContact CG2-CD1 4.47Å
5K96.5Very high94.4Very high147 Ų14766.9 Ų66.964%0.63939%0.389SS*.PPolyproline II helixtrans-99.9127.7171.5-69-66.4178.5-177.80109.9D47K5-D47 WeakPolarHBondContact CA-OD2 3.31Å; K5-D47 HydrophobicContact CD-CB 3.83Å; K5-D47 VanDerWaalsContact CD-CG 3.44Å; K5-D47 WeakPolarHBondContact CD-OD1 3.39Å; K5-D47 IonicContact NZ-OD1 2.75Å; K5-D47 PolarHBondContact NZ-OD1 2.99Å
6I97.4Very high94.4Very high77 Ų7764 Ų6440%0.39537%0.372SS..PPolyproline II helixtrans-97.9117.7177.3-53.7-56.1000108.5V4 L45 V46 D47 Q48V4-I6 HydrophobicContact CG1-CD1 3.93Å; V4-I6 HydrophobicContact CG2-CD1 4.47Å; I6-L45 WeakPolarHBondContact CB-O 3.32Å; I6-L45 WeakPolarHBondContact CG1-O 3.4Å; I6-V46 HydrophobicContact CG2-CG2 4.45Å; I6-D47 PolarHBondContact N-OD2 3.43Å; I6-D47 WeakPolarHBondContact O-CB 3.32Å; I6-D47 PolarHBondContact O-N 3.16Å; I6-Q48 PolarHBondContact O-N 3.28Å
7V96.9Very high94.3Very high53 Ų5360.3 Ų60.332%0.32135%0.35SS..EExtended strand (participates in β ladder)trans-108114.7178.8-175.10000108.7Q48 V50 A86V7-Q48 CarbonylContact C-O 3.53Å; V7-Q48 WeakPolarHBondContact CA-O 3.04Å; V7-Q48 HydrophobicContact CG2-CB 4.49Å; V7-V50 HydrophobicContact CG1-CG2 3.77Å; V7-A86 HydrophobicContact CG1-CB 4.37Å; V7-A86 HydrophobicContact CG2-CB 4.2Å
8G97.2Very high93.7Very high11 Ų1160.6 Ų60.611%0.11335%0.354CS..EExtended strand (participates in β ladder)trans-80.4138170.600000110.8Q48 W49 V50G8-Q48 PolarHBondContact N-O 3.04Å; G8-W49 CarbonylContact O-C 3.57Å; G8-W49 WeakPolarHBondContact O-CA 3.39Å; G8-V50 PolarHBondContact O-N 3.47Å
9V97.4Very high92.3Very high43 Ų4362.9 Ų62.926%0.26137%0.374SS..EExtended strand (participates in β ladder)trans-118.7128.2178-174.50000108V50 V52 A82V9-V50 WeakPolarHBondContact CA-O 3.41Å; V9-V52 HydrophobicContact CG1-CG1 3.94Å; V9-A82 HydrophobicContact CB-CB 4.26Å; V9-A82 HydrophobicContact CG1-CB 3.79Å; V9-A82 HydrophobicContact CG2-CB 3.45Å; V9-A82 VanDerWaalsContact CG2-CB 3.45Å
10D96.5Very high91.2Very high2 Ų269.2 Ų69.21%0.01140%0.399CS..EExtended strand (participates in β ladder)trans-139.4131.4-172-170.840.2000110S14 A17 W49 V50 K51 V52D10-S14 WeakPolarHBondContact OD1-CB 3.49Å; D10-S14 PolarHBondContact OD1-OG 3.24Å; D10-A17 HydrophobicContact CB-CB 3.87Å; D10-A17 VanDerWaalsContact OD2-CB 3.29Å; D10-A17 WeakPolarHBondContact OD2-CB 3.2Å; D10-A17 PolarHBondContact OD2-N 3.05Å; D10-W49 HydrophobicContact CB-CE3 4.16Å; D10-W49 HydrophobicContact CB-CZ3 4.34Å; D10-V50 PolarHBondContact N-O 3.32Å; D10-K51 HydrophobicContact CB-CD 4.22Å; D10-K51 VanDerWaalsContact O-CA 3.26Å; D10-K51 WeakPolarHBondContact O-CA 3.35Å; D10-K51 WeakPolarHBondContact O-CD 3.34Å; D10-K51 IonicContact OD2-NZ 3.53Å; D10-K51 PolarHBondContact OD2-NZ 2.78Å; D10-V52 PolarHBondContact O-N 2.99Å; D10-V52 VanDerWaalsContact O-N 3.14Å
11P95.8Very high90Very high1 Ų170 Ų701%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-64.5149.117926.2-35.3000112G13 S14 F27 V29 I32 K51 V52P11-G13 PolarHBondContact O-N 3.04Å; P11-S14 PolarHBondContact O-N 3.27Å; P11-S14 VanDerWaalsContact O-N 3.15Å; P11-F27 HydrophobicContact CB-CB 4.44Å; P11-F27 HydrophobicContact CB-CD1 4.37Å; P11-F27 HydrophobicContact CB-CD2 4.31Å; P11-F27 HydrophobicContact CB-CG 4.12Å; P11-F27 HydrophobicContact CG-CD1 4.38Å; P11-F27 HydrophobicContact CG-CD2 4.16Å; P11-F27 HydrophobicContact CG-CE1 4.32Å; P11-F27 HydrophobicContact CG-CE2 4.08Å; P11-F27 HydrophobicContact CG-CG 4.3Å; P11-F27 HydrophobicContact CG-CZ 4.16Å; P11-V29 HydrophobicContact CB-CG1 3.88Å; P11-V29 HydrophobicContact CG-CG1 4.34Å; P11-I32 HydrophobicContact CG-CD1 4.42Å; P11-I32 HydrophobicContact CG-CG1 4.09Å; P11-K51 PolarHBondContact O-NZ 3.48Å; P11-V52 WeakPolarHBondContact CA-O 3.36Å
12E93.4Very high88.9Confident74 Ų7465.7 Ų65.735%0.34637%0.374SS..THydrogen-bonded Turntrans-56134.1162.6-67.9-177.6165.400109.1F27 K51 V52E12-F27 WeakPolarHBondContact O-CD1 3.39Å; E12-K51 HydrophobicContact CG-CB 4.25Å; E12-V52 PolarHBondContact N-O 2.87Å
13G90.7Very high87.6Confident18 Ų1867.9 Ų67.919%0.18636%0.364CS..THydrogen-bonded Turntrans102-28.5-170.500000115P11 R23 A25P11-G13 PolarHBondContact O-N 3.04Å; G13-R23 WeakPolarHBondContact CA-O 3.38Å; G13-R23 PolarHBondContact N-O 3.48Å; G13-A25 WeakPolarHBondContact CA-O 3.48Å
14S93.5Very high86.3Confident0 Ų069.8 Ų69.80%038%0.375CS..  trans-79.5154.2177.9179.90000113.5D10 P11 I16 S22 G33 Y34 K51D10-S14 WeakPolarHBondContact OD1-CB 3.49Å; D10-S14 PolarHBondContact OD1-OG 3.24Å; P11-S14 PolarHBondContact O-N 3.27Å; P11-S14 VanDerWaalsContact O-N 3.15Å; S14-I16 PolarHBondContact OG-N 3.28Å; S14-I16 VanDerWaalsContact OG-N 3.16Å; S14-S22 PolarHBondContact O-OG 2.78Å; S14-G33 VanDerWaalsContact OG-CA 3.23Å; S14-G33 WeakPolarHBondContact OG-CA 3.48Å; S14-Y34 PolarHBondContact OG-N 3.28Å; S14-Y34 PolarHBondContact OG-O 3.16Å; S14-K51 PolarHBondContact O-NZ 3.31Å
15E90.8Very high85.1Confident131 Ų13168.3 Ų68.361%0.61237%0.371SS*.SBendtrans-103.613.4172.6-57.7-166.8-173.900113.7Y34E15-Y34 PolarHBondContact N-O 3.29Å
16I93.7Very high84.7Confident21 Ų2169.3 Ų69.311%0.10838%0.383CS..SBendtrans-70.7-49177.2-68.5-179.1000110.8S14 Y34 L41 H43 W49S14-I16 PolarHBondContact OG-N 3.28Å; S14-I16 VanDerWaalsContact OG-N 3.16Å; I16-Y34 HydrophobicContact CD1-CD2 4.31Å; I16-L41 HydrophobicContact CG2-CD2 3.5Å; I16-H43 PolarHBondContact O-NE2 2.95Å; I16-W49 HydrophobicContact CG2-CH2 3.51Å; I16-W49 HydrophobicContact CG2-CZ2 4.43Å; I16-W49 HydrophobicContact CG2-CZ3 3.63Å
17A92.3Very high84.5Confident1 Ų168.8 Ų68.81%0.00838%0.378CS..SBendtrans-68.7148.3173.100000110.4D10 S19 W49 K51D10-A17 HydrophobicContact CB-CB 3.87Å; D10-A17 VanDerWaalsContact OD2-CB 3.29Å; D10-A17 WeakPolarHBondContact OD2-CB 3.2Å; D10-A17 PolarHBondContact OD2-N 3.05Å; A17-S19 PolarHBondContact O-N 3.44Å; A17-W49 HydrophobicContact CB-CB 3.92Å; A17-W49 HydrophobicContact CB-CD2 3.95Å; A17-W49 HydrophobicContact CB-CE3 3.82Å; A17-W49 HydrophobicContact CB-CG 4.02Å; A17-K51 HydrophobicContact CB-CD 4.35Å
18P84.7Confident84.5Confident65 Ų6569.2 Ų69.242%0.42238%0.377SS..  trans-50.8140178.9-27.734.8000113.5E20 L21 W49P18-E20 PolarHBondContact O-N 2.8Å; P18-L21 PolarHBondContact O-N 2.75Å; P18-L21 VanDerWaalsContact O-N 3.17Å; P18-W49 VanDerWaalsContact CD-CD1 3.46Å
19S67.2Low84.6Confident105 Ų10569 Ų6973%0.73437%0.373SS*.G310 helixtrans-58.2-20.4-159.958.70000116.8A17 L21 S22A17-S19 PolarHBondContact O-N 3.44Å; S19-L21 PolarHBondContact O-N 3.09Å; S19-L21 VanDerWaalsContact O-N 3.12Å; S19-S22 PolarHBondContact O-N 3.01Å
20E68.8Low84.6Confident188 Ų18870.6 Ų70.688%0.87938%0.378SS*.G310 helixtrans-62.1-20.2178.3-51.5-175.5-146.600112.6P18P18-E20 PolarHBondContact O-N 2.8Å
21L66.2Low84.6Confident86 Ų8674.5 Ų74.545%0.4542%0.418SS..G310 helixtrans-100.3-7.2-177.2-60.5172.8000113.3P18 S19 W49 K51P18-L21 PolarHBondContact O-N 2.75Å; P18-L21 VanDerWaalsContact O-N 3.17Å; S19-L21 PolarHBondContact O-N 3.09Å; S19-L21 VanDerWaalsContact O-N 3.12Å; L21-W49 HydrophobicContact CD1-CB 4.26Å; L21-K51 HydrophobicContact CB-CD 4.44Å; L21-K51 HydrophobicContact CB-CG 3.66Å; L21-K51 WeakPolarHBondContact O-CE 3.45Å
22S63.4Low84.6Confident39 Ų3976.4 Ų76.427%0.27343%0.428SS..  trans-91.1115.2-169.1-60.40000111.7S14 S19S14-S22 PolarHBondContact O-OG 2.78Å; S19-S22 PolarHBondContact O-N 3.01Å
23R66.3Low84.7Confident186 Ų18673.4 Ų73.470%0.70242%0.417SS*.  trans-98.9133.4163.7-69-178.1-178.8174.91.5108.4G13 A25G13-R23 WeakPolarHBondContact CA-O 3.38Å; G13-R23 PolarHBondContact N-O 3.48Å; R23-A25 PolarHBondContact O-N 3.2Å; R23-A25 VanDerWaalsContact O-N 3.13Å
24C66.4Low84.8Confident142 Ų14278.5 Ų78.596%0.95943%0.431SS*.  trans-65.8111.3176.9-155.40000109.1
25A72.8Confident84.6Confident44 Ų4484.2 Ų84.236%0.36446%0.462SS..  trans-152.8142-177.900000109.7G13 R23G13-A25 WeakPolarHBondContact CA-O 3.48Å; R23-A25 PolarHBondContact O-N 3.2Å; R23-A25 VanDerWaalsContact O-N 3.13Å
26N87.2Confident84.5Confident169 Ų16983.2 Ų83.290%0.90446%0.456SS*.  trans-77.2144.9162.4-69.5-28.5000108.3
27F94Very high84.3Confident66 Ų6685.1 Ų85.129%0.28947%0.471SS..  trans-127.3146.8178.350.5-93.2000111P11 E12 V29 I32 D54P11-F27 HydrophobicContact CB-CB 4.44Å; P11-F27 HydrophobicContact CB-CD1 4.37Å; P11-F27 HydrophobicContact CB-CD2 4.31Å; P11-F27 HydrophobicContact CB-CG 4.12Å; P11-F27 HydrophobicContact CG-CD1 4.38Å; P11-F27 HydrophobicContact CG-CD2 4.16Å; P11-F27 HydrophobicContact CG-CE1 4.32Å; P11-F27 HydrophobicContact CG-CE2 4.08Å; P11-F27 HydrophobicContact CG-CG 4.3Å; P11-F27 HydrophobicContact CG-CZ 4.16Å; E12-F27 WeakPolarHBondContact O-CD1 3.39Å; F27-V29 HydrophobicContact CB-CG1 4.39Å; F27-V29 HydrophobicContact CD2-CG1 3.95Å; F27-V29 WeakPolarHBondContact CD2-O 3.46Å; F27-I32 VanDerWaalsContact CE2-O 3.32Å; F27-I32 WeakPolarHBondContact CE2-O 3.4Å; F27-D54 VanDerWaalsContact CA-OD2 3.28Å; F27-D54 WeakPolarHBondContact CA-OD2 3.28Å
28E97.3Very high84.5Confident62 Ų6286.5 Ų86.529%0.2948%0.48SS..  trans-92.3-22.7-178.6-64.2-72.5157.600112.2E30 D54 F58 W116 K120 F122E28-E30 PolarHBondContact O-N 2.96Å; E28-D54 PolarHBondContact N-OD1 3.37Å; E28-D54 PolarHBondContact N-OD2 3.45Å; E28-F58 HydrophobicContact CB-CE2 3.83Å; E28-F58 HydrophobicContact CB-CZ 3.87Å; E28-W116 HydrophobicContact CB-CH2 4.06Å; E28-W116 HydrophobicContact CB-CZ2 4.35Å; E28-W116 HydrophobicContact CG-CH2 4.32Å; E28-W116 HydrophobicContact CG-CZ2 4.39Å; E28-K120 VanDerWaalsContact CD-NZ 3.27Å; E28-K120 HydrophobicContact CG-CD 4.39Å; E28-K120 WeakPolarHBondContact OE1-CE 3.17Å; E28-K120 IonicContact OE1-NZ 3.2Å; E28-K120 PolarHBondContact OE1-NZ 3.12Å; E28-K120 IonicContact OE2-NZ 2.64Å; E28-K120 PolarHBondContact OE2-NZ 3.17Å; E28-F122 HydrophobicContact CB-CE2 4.47Å; E28-F122 HydrophobicContact CG-CE2 4.18Å; E28-F122 HydrophobicContact CG-CZ 4.09Å
29V97.4Very high85Confident6 Ų688.8 Ų88.84%0.03650%0.504CS..  trans-61.4135.317666.40000110.7P11 F27 I32 D54 T57 F58P11-V29 HydrophobicContact CB-CG1 3.88Å; P11-V29 HydrophobicContact CG-CG1 4.34Å; F27-V29 HydrophobicContact CB-CG1 4.39Å; F27-V29 HydrophobicContact CD2-CG1 3.95Å; F27-V29 WeakPolarHBondContact CD2-O 3.46Å; V29-I32 HydrophobicContact CG1-CD1 4.03Å; V29-I32 HydrophobicContact CG1-CG1 3.89Å; V29-I32 HydrophobicContact CG2-CD1 3.88Å; V29-I32 HydrophobicContact CG2-CG1 3.98Å; V29-D54 PolarHBondContact N-OD1 2.98Å; V29-T57 HydrophobicContact CB-CG2 4.12Å; V29-T57 HydrophobicContact CG2-CG2 3.8Å; V29-F58 HydrophobicContact CB-CE1 4.5Å; V29-F58 HydrophobicContact CB-CZ 4.22Å
30E97.5Very high86.5Confident77 Ų7790.5 Ų90.536%0.3651%0.51SS..  trans-103.2146.7-174.4-62.5177.6-11900112E28 I32 Y107 K110E28-E30 PolarHBondContact O-N 2.96Å; E30-I32 VanDerWaalsContact C-N 3.33Å; E30-I32 PolarHBondContact O-N 3.41Å; E30-Y107 HydrophobicContact CB-CE1 4.16Å; E30-Y107 HydrophobicContact CG-CE1 4.34Å; E30-Y107 WeakPolarHBondContact OE1-CE1 3.19Å; E30-K110 WeakPolarHBondContact OE1-CE 3.43Å; E30-K110 IonicContact OE1-NZ 3.33Å; E30-K110 PolarHBondContact OE1-NZ 2.76Å
31G96.8Very high87.8Confident83 Ų8384.2 Ų84.286%0.85648%0.482SS*.SBendtrans84.1-2.7170.700000115.7
32I96.9Very high89.3Confident41 Ų4184 Ų8421%0.2148%0.482CS..  trans-128.8153.6175.661.3173.6000110.6P11 F27 V29 E30P11-I32 HydrophobicContact CG-CD1 4.42Å; P11-I32 HydrophobicContact CG-CG1 4.09Å; F27-I32 VanDerWaalsContact CE2-O 3.32Å; F27-I32 WeakPolarHBondContact CE2-O 3.4Å; V29-I32 HydrophobicContact CG1-CD1 4.03Å; V29-I32 HydrophobicContact CG1-CG1 3.89Å; V29-I32 HydrophobicContact CG2-CD1 3.88Å; V29-I32 HydrophobicContact CG2-CG1 3.98Å; E30-I32 VanDerWaalsContact C-N 3.33Å; E30-I32 PolarHBondContact O-N 3.41Å
33G94.4Very high90.8Very high11 Ų1185.2 Ų85.211%0.11348%0.483CS..  trans79.5141.3-177.800000114S14S14-G33 VanDerWaalsContact OG-CA 3.23Å; S14-G33 WeakPolarHBondContact OG-CA 3.48Å
34Y93.1Very high92.2Very high125 Ų12581 Ų8149%0.4948%0.482SS..  trans-143.7163.8171.3-87.5-83.3000111.3S14 E15 I16 F36S14-Y34 PolarHBondContact OG-N 3.28Å; S14-Y34 PolarHBondContact OG-O 3.16Å; E15-Y34 PolarHBondContact N-O 3.29Å; I16-Y34 HydrophobicContact CD1-CD2 4.31Å; Y34-F36 VanDerWaalsContact C-N 3.29Å; Y34-F36 VanDerWaalsContact CB-O 3.31Å; Y34-F36 WeakPolarHBondContact CB-O 3.5Å; Y34-F36 HydrophobicContact CD1-CD1 4.26Å; Y34-F36 AromaticContact CD1-CE1 3.57Å; Y34-F36 HydrophobicContact CD1-CE1 3.57Å; Y34-F36 AromaticContact CD1-CZ 3.89Å; Y34-F36 HydrophobicContact CD1-CZ 3.89Å; Y34-F36 HydrophobicContact CE1-CE1 4.13Å; Y34-F36 HydrophobicContact CE1-CZ 4.22Å; Y34-F36 HydrophobicContact CG-CE1 4.35Å; Y34-F36 HydrophobicContact CG-CZ 4.48Å
35D89.2Confident93.6Very high120 Ų12079.8 Ų79.864%0.64247%0.465SS*.SBendtrans-862.9170.561.4-27000113
36F89.4Confident94.8Very high111 Ų11179 Ų7949%0.48746%0.456SS..SBendtrans-145.2159.1172.465.5-88.2000110.5Y34 P38Y34-F36 VanDerWaalsContact C-N 3.29Å; Y34-F36 VanDerWaalsContact CB-O 3.31Å; Y34-F36 WeakPolarHBondContact CB-O 3.5Å; Y34-F36 HydrophobicContact CD1-CD1 4.26Å; Y34-F36 AromaticContact CD1-CE1 3.57Å; Y34-F36 HydrophobicContact CD1-CE1 3.57Å; Y34-F36 AromaticContact CD1-CZ 3.89Å; Y34-F36 HydrophobicContact CD1-CZ 3.89Å; Y34-F36 HydrophobicContact CE1-CE1 4.13Å; Y34-F36 HydrophobicContact CE1-CZ 4.22Å; Y34-F36 HydrophobicContact CG-CE1 4.35Å; Y34-F36 HydrophobicContact CG-CZ 4.48Å; F36-P38 HydrophobicContact CE2-CG 4.37Å; F36-P38 WeakPolarHBondContact O-CD 3.18Å
37S90.1Very high95.2Very high61 Ų6174.8 Ų74.843%0.42743%0.433SS..  trans-81118.3170.8174.90000111H43S37-H43 PolarHBondContact OG-CE1 3.43Å
38P94.7Very high95.2Very high30 Ų3075.7 Ų75.720%0.19544%0.438CS..  trans-63.5144.2175.6-21.133.9000112.1F36 V40 L41F36-P38 HydrophobicContact CE2-CG 4.37Å; F36-P38 WeakPolarHBondContact O-CD 3.18Å; P38-V40 HydrophobicContact CB-CG2 4.03Å; P38-V40 PolarHBondContact O-N 3.13Å; P38-V40 VanDerWaalsContact O-N 3.11Å; P38-L41 WeakPolarHBondContact O-CB 3.19Å; P38-L41 PolarHBondContact O-N 3.35Å
39A96.7Very high95.1Very high112 Ų11274.8 Ų74.893%0.92643%0.432SS*.THydrogen-bonded Turntrans-63.9-18.6179.400000114.3
40V97.8Very high94.9Very high142 Ų14275.3 Ų75.386%0.86144%0.435SS*.THydrogen-bonded Turntrans-84.5-11.5177.1-63.30000113.2P38P38-V40 HydrophobicContact CB-CG2 4.03Å; P38-V40 PolarHBondContact O-N 3.13Å; P38-V40 VanDerWaalsContact O-N 3.11Å
41L96.8Very high94.8Very high55 Ų5573 Ų7329%0.28842%0.424SS..  trans-87.9121.1178.4176.762.7000109.8I16 P38 H43 W49I16-L41 HydrophobicContact CG2-CD2 3.5Å; P38-L41 WeakPolarHBondContact O-CB 3.19Å; P38-L41 PolarHBondContact O-N 3.35Å; L41-H43 WeakPolarHBondContact CD2-CE1 3.31Å; L41-W49 HydrophobicContact CD2-CH2 4.24Å
42D97.2Very high94.7Very high83 Ų8369 Ų6944%0.44438%0.384SS..  trans-102.599.6171-174.9-9.4000110S44 L45D42-S44 VanDerWaalsContact CG-OG 3.3Å; D42-S44 PolarHBondContact O-N 3.25Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.19Å; D42-S44 PolarHBondContact OD1-OG 3.42Å; D42-S44 PolarHBondContact OD2-OG 2.94Å; D42-L45 HydrophobicContact CB-CD1 4.13Å; D42-L45 HydrophobicContact CB-CG 4.29Å; D42-L45 PolarHBondContact O-N 2.88Å
43H95.1Very high94.7Very high64 Ų6468 Ų6830%0.29638%0.38SS..G310 helixtrans-60.9-23.2178.1-72.581000113.9I16 S37 L41 L45 V46 W49I16-H43 PolarHBondContact O-NE2 2.95Å; S37-H43 PolarHBondContact OG-CE1 3.43Å; L41-H43 WeakPolarHBondContact CD2-CE1 3.31Å; H43-L45 PolarHBondContact O-N 3.4Å; H43-V46 PolarHBondContact O-N 3.15Å; H43-V46 VanDerWaalsContact O-N 3.16Å; H43-W49 AromaticContact CD2-CZ2 3.55Å; H43-W49 AromaticContact NE2-CZ2 3.96Å
44S95.9Very high94.8Very high98 Ų9868.5 Ų68.569%0.68538%0.38SS*.G310 helixtrans-68.5-16.8-177.575.30000113.2D42D42-S44 VanDerWaalsContact CG-OG 3.3Å; D42-S44 PolarHBondContact O-N 3.25Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.19Å; D42-S44 PolarHBondContact OD1-OG 3.42Å; D42-S44 PolarHBondContact OD2-OG 2.94Å
45L96.4Very high94.9Very high115 Ų11564 Ų6460%0.60237%0.368SS*.G310 helixtrans-89.8-5178-58179.3000113.3I6 D42 H43I6-L45 WeakPolarHBondContact CB-O 3.32Å; I6-L45 WeakPolarHBondContact CG1-O 3.4Å; D42-L45 HydrophobicContact CB-CD1 4.13Å; D42-L45 HydrophobicContact CB-CG 4.29Å; D42-L45 PolarHBondContact O-N 2.88Å; H43-L45 PolarHBondContact O-N 3.4Å
46V96.6Very high95.3Very high28 Ų2860.9 Ų60.917%0.1735%0.352CS..  trans-101.7115.5-178.7-174.90000109.8I6 H43 Q48 W49I6-V46 HydrophobicContact CG2-CG2 4.45Å; H43-V46 PolarHBondContact O-N 3.15Å; H43-V46 VanDerWaalsContact O-N 3.16Å; V46-Q48 VanDerWaalsContact CG1-O 3.26Å; V46-Q48 WeakPolarHBondContact CG1-O 3.29Å; V46-W49 HydrophobicContact CB-CZ2 3.97Å; V46-W49 HydrophobicContact CG1-CD2 4.05Å; V46-W49 HydrophobicContact CG1-CG 4.32Å; V46-W49 HydrophobicContact CG1-CZ2 3.92Å; V46-W49 HydrophobicContact CG2-CH2 4.37Å; V46-W49 HydrophobicContact CG2-CZ2 3.76Å
47D95.7Very high95.7Very high80 Ų8055.6 Ų55.643%0.42833%0.328SS..SBendtrans-74.7-32.4-179.1-67.5-92000113K5 I6K5-D47 WeakPolarHBondContact CA-OD2 3.31Å; K5-D47 HydrophobicContact CD-CB 3.83Å; K5-D47 VanDerWaalsContact CD-CG 3.44Å; K5-D47 WeakPolarHBondContact CD-OD1 3.39Å; K5-D47 IonicContact NZ-OD1 2.75Å; K5-D47 PolarHBondContact NZ-OD1 2.99Å; I6-D47 PolarHBondContact N-OD2 3.43Å; I6-D47 WeakPolarHBondContact O-CB 3.32Å; I6-D47 PolarHBondContact O-N 3.16Å
48Q94.1Very high96.1Very high85 Ų8553 Ų5340%0.39731%0.31SS..EExtended strand (participates in β ladder)trans-149.6143.1-175.2176.9-178.5-26.700110.5I6 V7 G8 V46 V50I6-Q48 PolarHBondContact O-N 3.28Å; V7-Q48 CarbonylContact C-O 3.53Å; V7-Q48 WeakPolarHBondContact CA-O 3.04Å; V7-Q48 HydrophobicContact CG2-CB 4.49Å; G8-Q48 PolarHBondContact N-O 3.04Å; V46-Q48 VanDerWaalsContact CG1-O 3.26Å; V46-Q48 WeakPolarHBondContact CG1-O 3.29Å; Q48-V50 HydrophobicContact CG-CG2 4.46Å
49W95Very high96.3Very high43 Ų4356.2 Ų56.216%0.16332%0.321CS..EExtended strand (participates in β ladder)trans-109.7143169.2-68.888.8000111G8 D10 I16 A17 P18 L21 L41 H43 V46G8-W49 CarbonylContact O-C 3.57Å; G8-W49 WeakPolarHBondContact O-CA 3.39Å; D10-W49 HydrophobicContact CB-CE3 4.16Å; D10-W49 HydrophobicContact CB-CZ3 4.34Å; I16-W49 HydrophobicContact CG2-CH2 3.51Å; I16-W49 HydrophobicContact CG2-CZ2 4.43Å; I16-W49 HydrophobicContact CG2-CZ3 3.63Å; A17-W49 HydrophobicContact CB-CB 3.92Å; A17-W49 HydrophobicContact CB-CD2 3.95Å; A17-W49 HydrophobicContact CB-CE3 3.82Å; A17-W49 HydrophobicContact CB-CG 4.02Å; P18-W49 VanDerWaalsContact CD-CD1 3.46Å; L21-W49 HydrophobicContact CD1-CB 4.26Å; L41-W49 HydrophobicContact CD2-CH2 4.24Å; H43-W49 AromaticContact CD2-CZ2 3.55Å; H43-W49 AromaticContact NE2-CZ2 3.96Å; V46-W49 HydrophobicContact CB-CZ2 3.97Å; V46-W49 HydrophobicContact CG1-CD2 4.05Å; V46-W49 HydrophobicContact CG1-CG 4.32Å; V46-W49 HydrophobicContact CG1-CZ2 3.92Å; V46-W49 HydrophobicContact CG2-CH2 4.37Å; V46-W49 HydrophobicContact CG2-CZ2 3.76Å
50V94.7Very high96.4Very high17 Ų1752.3 Ų52.310%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-126.5124.2174179.90000108.8V7 G8 V9 D10 Q48 W81 A82V7-V50 HydrophobicContact CG1-CG2 3.77Å; G8-V50 PolarHBondContact O-N 3.47Å; V9-V50 WeakPolarHBondContact CA-O 3.41Å; D10-V50 PolarHBondContact N-O 3.32Å; Q48-V50 HydrophobicContact CG-CG2 4.46Å; V50-W81 HydrophobicContact CG1-CZ3 4.15Å; V50-A82 HydrophobicContact CB-CB 3.97Å; V50-A82 HydrophobicContact CG1-CB 3.73Å; V50-A82 HydrophobicContact CG2-CB 4.49Å
51K94.2Very high96.4Very high28 Ų2845.6 Ų45.612%0.12224%0.243CC..EExtended strand (participates in β ladder)trans-81.8144.1169.6-73.8-62.3-151.4177.80111D10 P11 E12 S14 A17 L21D10-K51 HydrophobicContact CB-CD 4.22Å; D10-K51 VanDerWaalsContact O-CA 3.26Å; D10-K51 WeakPolarHBondContact O-CA 3.35Å; D10-K51 WeakPolarHBondContact O-CD 3.34Å; D10-K51 IonicContact OD2-NZ 3.53Å; D10-K51 PolarHBondContact OD2-NZ 2.78Å; P11-K51 PolarHBondContact O-NZ 3.48Å; E12-K51 HydrophobicContact CG-CB 4.25Å; S14-K51 PolarHBondContact O-NZ 3.31Å; A17-K51 HydrophobicContact CB-CD 4.35Å; L21-K51 HydrophobicContact CB-CD 4.44Å; L21-K51 HydrophobicContact CB-CG 3.66Å; L21-K51 WeakPolarHBondContact O-CE 3.45Å
52V95.5Very high96.5Very high1 Ų145 Ų451%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-138.5136.3179.865.80000111.5V9 D10 P11 E12 D56 T57 W81V9-V52 HydrophobicContact CG1-CG1 3.94Å; D10-V52 PolarHBondContact O-N 2.99Å; D10-V52 VanDerWaalsContact O-N 3.14Å; P11-V52 WeakPolarHBondContact CA-O 3.36Å; E12-V52 PolarHBondContact N-O 2.87Å; V52-D56 HydrophobicContact CG2-CB 3.99Å; V52-T57 WeakPolarHBondContact CG2-OG1 3.49Å; V52-W81 HydrophobicContact CB-CE3 4.43Å; V52-W81 HydrophobicContact CG2-CD2 4.23Å; V52-W81 HydrophobicContact CG2-CE3 3.89Å; V52-W81 HydrophobicContact CG2-CZ3 4.48Å
53S95.3Very high96.5Very high19 Ų1945 Ų4513%0.13323%0.234CC..  trans-80.5158.1175.875.30000111.1A55 D56 T57S53-A55 VanDerWaalsContact C-N 3.26Å; S53-A55 PolarHBondContact O-N 2.9Å; S53-D56 PolarHBondContact O-N 2.87Å; S53-D56 WeakPolarHBondContact OG-CB 3.3Å; S53-D56 PolarHBondContact OG-N 2.99Å; S53-D56 VanDerWaalsContact OG-N 3.09Å; S53-D56 PolarHBondContact OG-OD2 2.89Å; S53-T57 VanDerWaalsContact O-CB 3.27Å; S53-T57 WeakPolarHBondContact O-CB 3.45Å; S53-T57 PolarHBondContact O-N 2.92Å; S53-T57 PolarHBondContact O-OG1 3.32Å
54D96.9Very high96.7Very high22 Ų2242.6 Ų42.612%0.11822%0.223CC..Hα-helixtrans-60.7-37.8171-81.8-30.1000112F27 E28 V29 D56 T57 F58 F122F27-D54 VanDerWaalsContact CA-OD2 3.28Å; F27-D54 WeakPolarHBondContact CA-OD2 3.28Å; E28-D54 PolarHBondContact N-OD1 3.37Å; E28-D54 PolarHBondContact N-OD2 3.45Å; V29-D54 PolarHBondContact N-OD1 2.98Å; D54-D56 PolarHBondContact O-N 3.46Å; D54-T57 WeakPolarHBondContact O-CB 3.47Å; D54-T57 PolarHBondContact O-N 3.16Å; D54-F58 HydrophobicContact CB-CD2 4.07Å; D54-F58 HydrophobicContact CB-CE2 3.71Å; D54-F58 WeakPolarHBondContact O-CD2 3.44Å; D54-F58 WeakPolarHBondContact O-CG 3.27Å; D54-F58 PolarHBondContact O-N 3.21Å; D54-F122 HydrophobicContact CB-CD1 4.43Å; D54-F122 HydrophobicContact CB-CE1 3.59Å; D54-F122 HydrophobicContact CB-CE2 4.14Å; D54-F122 HydrophobicContact CB-CZ 3.41Å; D54-F122 VanDerWaalsContact CB-CZ 3.41Å
55A96.2Very high96.8Very high29 Ų2939.7 Ų39.724%0.2420%0.2CC..Hα-helixtrans-60.7-46.9179.400000111.3S53 K59 F122S53-A55 VanDerWaalsContact C-N 3.26Å; S53-A55 PolarHBondContact O-N 2.9Å; A55-K59 VanDerWaalsContact O-CB 3.3Å; A55-K59 WeakPolarHBondContact O-CB 3.34Å; A55-K59 WeakPolarHBondContact O-CD 3.26Å; A55-K59 WeakPolarHBondContact O-CG 3.28Å; A55-K59 PolarHBondContact O-N 2.61Å; A55-K59 VanDerWaalsContact O-N 3.15Å; A55-F122 HydrophobicContact CB-CD1 3.97Å
56D97.4Very high96.8Very high55 Ų5537.9 Ų37.929%0.29419%0.19SC..Hα-helixtrans-65.9-42.5175.7-74.5-50.8000111.8V52 S53 D54 M60 W81V52-D56 HydrophobicContact CG2-CB 3.99Å; S53-D56 PolarHBondContact O-N 2.87Å; S53-D56 WeakPolarHBondContact OG-CB 3.3Å; S53-D56 PolarHBondContact OG-N 2.99Å; S53-D56 VanDerWaalsContact OG-N 3.09Å; S53-D56 PolarHBondContact OG-OD2 2.89Å; D54-D56 PolarHBondContact O-N 3.46Å; D56-M60 VanDerWaalsContact O-CB 3.26Å; D56-M60 WeakPolarHBondContact O-CB 3.3Å; D56-M60 PolarHBondContact O-N 2.98Å; D56-W81 HydrophobicContact CB-CD2 4.04Å; D56-W81 HydrophobicContact CB-CG 4.01Å; D56-W81 HydrophobicContact CB-CZ2 4.36Å; D56-W81 VanDerWaalsContact CG-NE1 3.27Å; D56-W81 PolarHBondContact OD1-NE1 3.42Å
57T98.5Very high96.8Very high0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-55.2-56.5178.2-70.40000111.5V29 V52 S53 D54 M60 A61 G74 G77 S78V29-T57 HydrophobicContact CB-CG2 4.12Å; V29-T57 HydrophobicContact CG2-CG2 3.8Å; V52-T57 WeakPolarHBondContact CG2-OG1 3.49Å; S53-T57 VanDerWaalsContact O-CB 3.27Å; S53-T57 WeakPolarHBondContact O-CB 3.45Å; S53-T57 PolarHBondContact O-N 2.92Å; S53-T57 PolarHBondContact O-OG1 3.32Å; D54-T57 WeakPolarHBondContact O-CB 3.47Å; D54-T57 PolarHBondContact O-N 3.16Å; T57-M60 PolarHBondContact O-N 3.19Å; T57-A61 WeakPolarHBondContact O-CB 3.47Å; T57-A61 PolarHBondContact O-N 2.92Å; T57-G74 WeakPolarHBondContact CG2-O 3.45Å; T57-G77 WeakPolarHBondContact O-CA 3.45Å; T57-S78 WeakPolarHBondContact CB-OG 3.34Å; T57-S78 WeakPolarHBondContact CG2-OG 3.35Å; T57-S78 PolarHBondContact OG1-OG 3.21Å
58F98.5Very high96.9Very high7 Ų745 Ų453%0.03122%0.217CC..Hα-helixtrans-76.5-32.8-173-62.4-48.3000113.1E28 V29 D54 A61 R62 F111 W116 M117 F122E28-F58 HydrophobicContact CB-CE2 3.83Å; E28-F58 HydrophobicContact CB-CZ 3.87Å; V29-F58 HydrophobicContact CB-CE1 4.5Å; V29-F58 HydrophobicContact CB-CZ 4.22Å; D54-F58 HydrophobicContact CB-CD2 4.07Å; D54-F58 HydrophobicContact CB-CE2 3.71Å; D54-F58 WeakPolarHBondContact O-CD2 3.44Å; D54-F58 WeakPolarHBondContact O-CG 3.27Å; D54-F58 PolarHBondContact O-N 3.21Å; F58-A61 PolarHBondContact O-N 3.37Å; F58-R62 WeakPolarHBondContact O-CG 3.36Å; F58-R62 PolarHBondContact O-N 3.41Å; F58-F111 HydrophobicContact CB-CB 3.91Å; F58-F111 HydrophobicContact CB-CG 4.49Å; F58-F111 HydrophobicContact CD1-CB 3.43Å; F58-F111 VanDerWaalsContact CD1-CB 3.43Å; F58-F111 AromaticContact CD1-CD1 3.88Å; F58-F111 HydrophobicContact CD1-CD1 3.88Å; F58-F111 HydrophobicContact CD1-CD2 4.41Å; F58-F111 AromaticContact CD1-CG 3.67Å; F58-F111 HydrophobicContact CD1-CG 3.67Å; F58-F111 HydrophobicContact CE1-CB 4.08Å; F58-F111 HydrophobicContact CE1-CD1 4.13Å; F58-F111 HydrophobicContact CE1-CG 4.33Å; F58-F111 HydrophobicContact CG-CB 3.7Å; F58-F111 HydrophobicContact CG-CG 4.34Å; F58-W116 HydrophobicContact CD2-CH2 4.31Å; F58-W116 HydrophobicContact CD2-CZ3 4.1Å; F58-W116 AromaticContact CE2-CH2 3.8Å; F58-W116 HydrophobicContact CE2-CH2 3.8Å; F58-W116 HydrophobicContact CE2-CZ3 4.06Å; F58-W116 HydrophobicContact CZ-CH2 4.04Å; F58-W116 HydrophobicContact CZ-CZ3 4.48Å; F58-M117 HydrophobicContact CB-CE 3.64Å; F58-M117 HydrophobicContact CB-SD 3.72Å; F58-M117 HydrophobicContact CD2-SD 4.48Å; F58-M117 HydrophobicContact CG-SD 4.29Å; F58-F122 AromaticContact CD2-CD2 3.55Å; F58-F122 HydrophobicContact CD2-CD2 3.55Å; F58-F122 AromaticContact CD2-CE2 3.56Å; F58-F122 HydrophobicContact CD2-CE2 3.56Å; F58-F122 HydrophobicContact CD2-CG 4.29Å; F58-F122 HydrophobicContact CD2-CZ 4.31Å; F58-F122 HydrophobicContact CE2-CD2 4Å; F58-F122 AromaticContact CE2-CE2 3.5Å; F58-F122 HydrophobicContact CE2-CE2 3.5Å; F58-F122 HydrophobicContact CE2-CZ 4.12Å
59K97.7Very high97.1Very high98 Ų9843.6 Ų43.643%0.42623%0.226SC..Hα-helixtrans-61.4-48.2171.4-74.3176.3-175-178.50110.7A55 A61 R62 E63 F122A55-K59 VanDerWaalsContact O-CB 3.3Å; A55-K59 WeakPolarHBondContact O-CB 3.34Å; A55-K59 WeakPolarHBondContact O-CD 3.26Å; A55-K59 WeakPolarHBondContact O-CG 3.28Å; A55-K59 PolarHBondContact O-N 2.61Å; A55-K59 VanDerWaalsContact O-N 3.15Å; K59-A61 PolarHBondContact O-N 3.03Å; K59-R62 PolarHBondContact O-N 3.26Å; K59-E63 WeakPolarHBondContact O-CG 3.42Å; K59-E63 PolarHBondContact O-N 3.48Å; K59-F122 WeakPolarHBondContact CE-O 3.47Å
60M98.3Very high97.3Very high30 Ų3045.4 Ų45.415%0.14824%0.238CC..Hα-helixtrans-63.8-41.2178.2-175.258.564.800112.3D56 T57 R62 E63 L64 G77 V80 W81D56-M60 VanDerWaalsContact O-CB 3.26Å; D56-M60 WeakPolarHBondContact O-CB 3.3Å; D56-M60 PolarHBondContact O-N 2.98Å; T57-M60 PolarHBondContact O-N 3.19Å; M60-R62 VanDerWaalsContact C-N 3.32Å; M60-R62 PolarHBondContact O-N 3.47Å; M60-E63 PolarHBondContact O-N 2.96Å; M60-L64 HydrophobicContact CG-CD1 4.5Å; M60-L64 WeakPolarHBondContact O-CG 3.21Å; M60-L64 PolarHBondContact O-N 3.46Å; M60-G77 WeakPolarHBondContact CB-O 3.44Å; M60-G77 VanDerWaalsContact CG-O 3.28Å; M60-G77 WeakPolarHBondContact CG-O 3.44Å; M60-V80 HydrophobicContact CG-CB 3.93Å; M60-V80 HydrophobicContact CG-CG1 3.96Å; M60-V80 HydrophobicContact SD-CB 4.36Å; M60-V80 HydrophobicContact SD-CG1 3.7Å; M60-W81 HydrophobicContact CB-CB 4.03Å; M60-W81 HydrophobicContact CE-CB 4.25Å; M60-W81 HydrophobicContact CE-CG 4.47Å; M60-W81 HydrophobicContact CG-CB 4.01Å
61A98.6Very high97.5Very high0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-58.9-43.4175.300000111.9T57 F58 K59 L64 I65 F111T57-A61 WeakPolarHBondContact O-CB 3.47Å; T57-A61 PolarHBondContact O-N 2.92Å; F58-A61 PolarHBondContact O-N 3.37Å; K59-A61 PolarHBondContact O-N 3.03Å; A61-L64 PolarHBondContact O-N 2.98Å; A61-I65 WeakPolarHBondContact O-CG1 3.2Å; A61-I65 PolarHBondContact O-N 3.47Å; A61-F111 HydrophobicContact CB-CD2 4.22Å; A61-F111 HydrophobicContact CB-CE2 3.65Å; A61-F111 HydrophobicContact CB-CZ 4Å
62R98.2Very high97.7Very high44 Ų4449 Ų4917%0.16626%0.258CS..Hα-helixtrans-66.2-38.1175.2-70.1175.666.8115.4-0.6112.4F58 K59 M60 I65 L66 F111 D114 T129F58-R62 WeakPolarHBondContact O-CG 3.36Å; F58-R62 PolarHBondContact O-N 3.41Å; K59-R62 PolarHBondContact O-N 3.26Å; M60-R62 VanDerWaalsContact C-N 3.32Å; M60-R62 PolarHBondContact O-N 3.47Å; R62-I65 PolarHBondContact O-N 3.42Å; R62-L66 WeakPolarHBondContact O-CB 3.37Å; R62-L66 PolarHBondContact O-N 3.36Å; R62-F111 WeakPolarHBondContact CD-O 3.35Å; R62-F111 HydrophobicContact CG-CD2 3.91Å; R62-F111 HydrophobicContact CG-CE2 4.3Å; R62-F111 PolarHBondContact NH1-O 2.86Å; R62-D114 IonicContact CZ-OD1 2.64Å; R62-D114 IonicContact NH1-OD1 2.67Å; R62-D114 PolarHBondContact NH1-OD1 3.42Å; R62-D114 IonicContact NH2-OD1 2.67Å; R62-D114 PolarHBondContact NH2-OD1 2.74Å; R62-D114 IonicContact NH2-OD2 2.86Å; R62-T129 PolarHBondContact NH2-OG1 3.31Å
63E97.9Very high97.8Very high81 Ų8149 Ų4938%0.37926%0.257SS..Hα-helixtrans-63.1-41.9175.1-73.7-159168.600112.5K59 M60 I65 L66 K67K59-E63 WeakPolarHBondContact O-CG 3.42Å; K59-E63 PolarHBondContact O-N 3.48Å; M60-E63 PolarHBondContact O-N 2.96Å; E63-I65 VanDerWaalsContact C-N 3.31Å; E63-I65 PolarHBondContact O-N 2.99Å; E63-L66 PolarHBondContact O-N 3.2Å; E63-K67 HydrophobicContact CB-CD 4.4Å; E63-K67 VanDerWaalsContact O-CB 3.31Å; E63-K67 WeakPolarHBondContact O-CB 3.5Å; E63-K67 PolarHBondContact O-N 3.4Å; E63-K67 IonicContact OE1-NZ 3.13Å; E63-K67 PolarHBondContact OE1-NZ 2.91Å; E63-K67 VanDerWaalsContact OE1-NZ 3.13Å; E63-K67 IonicContact OE2-NZ 2.76Å; E63-K67 PolarHBondContact OE2-NZ 3.45Å
64L98.4Very high98Very high14 Ų1448.1 Ų48.17%0.07325%0.252CS..Iπ-helixtrans-58.8-42.8175.3-74.7165.5000111.9M60 A61 E68 G69 L70 V80M60-L64 HydrophobicContact CG-CD1 4.5Å; M60-L64 WeakPolarHBondContact O-CG 3.21Å; M60-L64 PolarHBondContact O-N 3.46Å; A61-L64 PolarHBondContact O-N 2.98Å; L64-E68 HydrophobicContact CD2-CG 4.26Å; L64-E68 CarbonylContact O-C 3.55Å; L64-E68 WeakPolarHBondContact O-CA 3.49Å; L64-E68 VanDerWaalsContact O-CB 3.32Å; L64-E68 WeakPolarHBondContact O-CB 3.36Å; L64-E68 PolarHBondContact O-N 2.83Å; L64-G69 PolarHBondContact O-N 3.06Å; L64-G69 VanDerWaalsContact O-N 3.16Å; L64-L70 HydrophobicContact CD2-CD1 4.32Å; L64-L70 PolarHBondContact O-N 2.97Å; L64-V80 HydrophobicContact CD1-CB 3.97Å; L64-V80 HydrophobicContact CD1-CG1 4.4Å; L64-V80 HydrophobicContact CD1-CG2 3.68Å; L64-V80 HydrophobicContact CD2-CG1 4.17Å; L64-V80 HydrophobicContact CD2-CG2 4.12Å; L64-V80 HydrophobicContact CG-CG2 4.46Å
65I98.2Very high98Very high38 Ų3847.5 Ų47.520%0.19525%0.249CC..Iπ-helixtrans-63.8-46.1176.2-64.7162000110.5A61 R62 E63 G69 L70 L71 V104 F111 L112A61-I65 WeakPolarHBondContact O-CG1 3.2Å; A61-I65 PolarHBondContact O-N 3.47Å; R62-I65 PolarHBondContact O-N 3.42Å; E63-I65 VanDerWaalsContact C-N 3.31Å; E63-I65 PolarHBondContact O-N 2.99Å; I65-G69 WeakPolarHBondContact O-CA 3.26Å; I65-G69 PolarHBondContact O-N 3.05Å; I65-L70 WeakPolarHBondContact CA-O 3.43Å; I65-L70 WeakPolarHBondContact CG1-O 3.46Å; I65-L71 HydrophobicContact CG2-CD2 4.06Å; I65-V104 HydrophobicContact CD1-CG1 3.52Å; I65-V104 HydrophobicContact CG1-CG1 4.2Å; I65-F111 HydrophobicContact CD1-CE2 4.06Å; I65-L112 HydrophobicContact CD1-CD1 3.96Å
66L96.8Very high98.2Very high77 Ų7746.1 Ų46.140%0.40324%0.238SC..Iπ-helixtrans-73.7-44.8-173.2-179.562.1000113.2R62 E63R62-L66 WeakPolarHBondContact O-CB 3.37Å; R62-L66 PolarHBondContact O-N 3.36Å; E63-L66 PolarHBondContact O-N 3.2Å
67K97.4Very high98.2Very high126 Ų12643.5 Ų43.555%0.54822%0.224SC..Iπ-helixtrans-93.2-34.8-170.9-61.6178.3-176.1168.20112.4E63E63-K67 HydrophobicContact CB-CD 4.4Å; E63-K67 VanDerWaalsContact O-CB 3.31Å; E63-K67 WeakPolarHBondContact O-CB 3.5Å; E63-K67 PolarHBondContact O-N 3.4Å; E63-K67 IonicContact OE1-NZ 3.13Å; E63-K67 PolarHBondContact OE1-NZ 2.91Å; E63-K67 VanDerWaalsContact OE1-NZ 3.13Å; E63-K67 IonicContact OE2-NZ 2.76Å; E63-K67 PolarHBondContact OE2-NZ 3.45Å
68E98Very high98.2Very high131 Ų13143.6 Ų43.661%0.61222%0.224SC*.Iπ-helixtrans-110.7-8.6-173.8-51.1-57.9148.100113.3L64 L70L64-E68 HydrophobicContact CD2-CG 4.26Å; L64-E68 CarbonylContact O-C 3.55Å; L64-E68 WeakPolarHBondContact O-CA 3.49Å; L64-E68 VanDerWaalsContact O-CB 3.32Å; L64-E68 WeakPolarHBondContact O-CB 3.36Å; L64-E68 PolarHBondContact O-N 2.83Å; E68-L70 HydrophobicContact CB-CD1 3.97Å; E68-L70 HydrophobicContact CB-CG 3.93Å; E68-L70 PolarHBondContact O-N 3.36Å
69G97.9Very high98.3Very high56 Ų5644 Ų4458%0.57723%0.229SC*.  trans6817.4-177.100000113.8L64 I65 L71L64-G69 PolarHBondContact O-N 3.06Å; L64-G69 VanDerWaalsContact O-N 3.16Å; I65-G69 WeakPolarHBondContact O-CA 3.26Å; I65-G69 PolarHBondContact O-N 3.05Å; G69-L71 PolarHBondContact O-N 3.44Å
70L98.4Very high98.3Very high80 Ų8040.5 Ų40.542%0.41922%0.216SC..  trans-88.5107.1-179.5-64175.3000109.9L64 I65 E68 C72 L100L64-L70 HydrophobicContact CD2-CD1 4.32Å; L64-L70 PolarHBondContact O-N 2.97Å; I65-L70 WeakPolarHBondContact CA-O 3.43Å; I65-L70 WeakPolarHBondContact CG1-O 3.46Å; E68-L70 HydrophobicContact CB-CD1 3.97Å; E68-L70 HydrophobicContact CB-CG 3.93Å; E68-L70 PolarHBondContact O-N 3.36Å; L70-C72 PolarHBondContact O-N 3.08Å; L70-L100 HydrophobicContact CD1-CD1 4.04Å
71L98.5Very high98.3Very high117 Ų11741.7 Ų41.761%0.61322%0.218SC*.  trans-77.356.8-179.6-65.2174.6000112.6I65 G69 G103 V104I65-L71 HydrophobicContact CG2-CD2 4.06Å; G69-L71 PolarHBondContact O-N 3.44Å; L71-G103 CarbonylContact O-C 3.51Å; L71-G103 WeakPolarHBondContact O-CA 3.37Å; L71-V104 HydrophobicContact CB-CG1 4.41Å; L71-V104 HydrophobicContact CB-CG2 4.05Å; L71-V104 HydrophobicContact CD2-CG2 4.37Å; L71-V104 PolarHBondContact O-N 2.89Å
72C98.5Very high98.3Very high5 Ų541.7 Ų41.73%0.03422%0.218CC..BIsolated β-bridgetrans-94.5161.2-175.564.70000114.2L70 S76 L100 D102 V104L70-C72 PolarHBondContact O-N 3.08Å; C72-S76 VanDerWaalsContact SG-CB 3.59Å; C72-L100 HydrophobicContact CB-CD1 4.47Å; C72-D102 CarbonylContact C-O 3.52Å; C72-D102 VanDerWaalsContact CA-O 3.31Å; C72-D102 WeakPolarHBondContact CA-O 3.46Å; C72-V104 WeakPolarHBondContact O-CG1 3.23Å
73G98.6Very high98.3Very high0 Ų040.3 Ų40.30%022%0.217CC..  trans-82.7-172179.600000115.9S76 D102G73-S76 WeakPolarHBondContact O-CB 3.49Å; G73-S76 PolarHBondContact O-N 2.95Å; G73-D102 WeakPolarHBondContact CA-OD1 3.32Å; G73-D102 PolarHBondContact N-O 3.49Å
74G98.6Very high98.2Very high1 Ų140 Ų401%0.0122%0.22CC..Hα-helixtrans-61.5-52.9-176.500000113.1T57 S76 G77 S78T57-G74 WeakPolarHBondContact CG2-O 3.45Å; G74-S76 PolarHBondContact O-N 2.79Å; G74-G77 WeakPolarHBondContact O-CA 3.48Å; G74-G77 PolarHBondContact O-N 3.27Å; G74-S78 PolarHBondContact O-N 3.11Å
75S98.6Very high98.1Very high9 Ų942.2 Ų42.26%0.06323%0.23CC..Hα-helixtrans-60.7-22.3-178.859.50000113.7S78 A79 P101S75-S78 WeakPolarHBondContact O-CB 3.38Å; S75-S78 PolarHBondContact O-N 3.3Å; S75-A79 WeakPolarHBondContact O-CB 3.3Å; S75-A79 PolarHBondContact O-N 3.03Å; S75-P101 WeakPolarHBondContact OG-CG 2.9Å
76S98.8Very high97.9Very high0 Ų041.2 Ų41.20%023%0.227CC..Hα-helixtrans-67.4-40171-59.40000111.6C72 G73 G74 A79 V80 L100 P101C72-S76 VanDerWaalsContact SG-CB 3.59Å; G73-S76 WeakPolarHBondContact O-CB 3.49Å; G73-S76 PolarHBondContact O-N 2.95Å; G74-S76 PolarHBondContact O-N 2.79Å; S76-A79 PolarHBondContact O-N 2.85Å; S76-V80 WeakPolarHBondContact O-CG2 3.04Å; S76-V80 PolarHBondContact O-N 2.79Å; S76-L100 VanDerWaalsContact OG-CA 3.3Å; S76-L100 WeakPolarHBondContact OG-CA 3.19Å; S76-L100 WeakPolarHBondContact OG-CB 3.35Å; S76-P101 VanDerWaalsContact OG-CD 3.28Å; S76-P101 WeakPolarHBondContact OG-CD 3.4Å
77G98.8Very high97.8Very high0 Ų039.1 Ų39.10%022%0.221CC..Hα-helixtrans-61.7-44171.100000112.2T57 M60 G74 A79 V80 W81T57-G77 WeakPolarHBondContact O-CA 3.45Å; M60-G77 WeakPolarHBondContact CB-O 3.44Å; M60-G77 VanDerWaalsContact CG-O 3.28Å; M60-G77 WeakPolarHBondContact CG-O 3.44Å; G74-G77 WeakPolarHBondContact O-CA 3.48Å; G74-G77 PolarHBondContact O-N 3.27Å; G77-A79 PolarHBondContact O-N 2.95Å; G77-V80 PolarHBondContact O-N 2.64Å; G77-W81 VanDerWaalsContact O-CB 3.3Å; G77-W81 WeakPolarHBondContact O-CB 3.44Å; G77-W81 PolarHBondContact O-N 3.03Å
78S98.7Very high97.6Very high1 Ų139.9 Ų39.91%0.00723%0.225CC..Hα-helixtrans-54.7-50.9172.9-56.30000111.7T57 G74 S75 W81 A82T57-S78 WeakPolarHBondContact CB-OG 3.34Å; T57-S78 WeakPolarHBondContact CG2-OG 3.35Å; T57-S78 PolarHBondContact OG1-OG 3.21Å; G74-S78 PolarHBondContact O-N 3.11Å; S75-S78 WeakPolarHBondContact O-CB 3.38Å; S75-S78 PolarHBondContact O-N 3.3Å; S78-W81 PolarHBondContact O-N 3.22Å; S78-A82 WeakPolarHBondContact O-CB 3.43Å; S78-A82 PolarHBondContact O-N 2.82Å
79A98.7Very high97.2Very high17 Ų1740.2 Ų40.214%0.1423%0.23CC..Hα-helixtrans-63.8-44.1-177.100000112.3S75 S76 G77 A83 V98S75-A79 WeakPolarHBondContact O-CB 3.3Å; S75-A79 PolarHBondContact O-N 3.03Å; S76-A79 PolarHBondContact O-N 2.85Å; G77-A79 PolarHBondContact O-N 2.95Å; A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.05Å; A79-A83 PolarHBondContact O-N 2.94Å; A79-V98 HydrophobicContact CB-CG1 3.62Å
80V98.7Very high97Very high23 Ų2340.9 Ų40.914%0.13922%0.22CC..Hα-helixtrans-70.5-39.8179.1174.10000111.6M60 L64 S76 G77 A82 A83 V84 V98 L100M60-V80 HydrophobicContact CG-CB 3.93Å; M60-V80 HydrophobicContact CG-CG1 3.96Å; M60-V80 HydrophobicContact SD-CB 4.36Å; M60-V80 HydrophobicContact SD-CG1 3.7Å; L64-V80 HydrophobicContact CD1-CB 3.97Å; L64-V80 HydrophobicContact CD1-CG1 4.4Å; L64-V80 HydrophobicContact CD1-CG2 3.68Å; L64-V80 HydrophobicContact CD2-CG1 4.17Å; L64-V80 HydrophobicContact CD2-CG2 4.12Å; L64-V80 HydrophobicContact CG-CG2 4.46Å; S76-V80 WeakPolarHBondContact O-CG2 3.04Å; S76-V80 PolarHBondContact O-N 2.79Å; G77-V80 PolarHBondContact O-N 2.64Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.86Å; V80-A83 WeakPolarHBondContact O-CB 3.43Å; V80-A83 PolarHBondContact O-N 2.98Å; V80-V84 HydrophobicContact CG1-CG2 4.4Å; V80-V84 WeakPolarHBondContact O-CG2 3.27Å; V80-V84 PolarHBondContact O-N 3.11Å; V80-V98 HydrophobicContact CG2-CB 4.49Å; V80-V98 HydrophobicContact CG2-CG1 3.88Å; V80-L100 HydrophobicContact CG2-CD2 3.57Å
81W98.6Very high96.9Very high55 Ų5541.3 Ų41.321%0.20822%0.223CC..Hα-helixtrans-60.1-47177.2-174102.5000110.6V50 V52 D56 M60 G77 S78 A83 V84 Q85V50-W81 HydrophobicContact CG1-CZ3 4.15Å; V52-W81 HydrophobicContact CB-CE3 4.43Å; V52-W81 HydrophobicContact CG2-CD2 4.23Å; V52-W81 HydrophobicContact CG2-CE3 3.89Å; V52-W81 HydrophobicContact CG2-CZ3 4.48Å; D56-W81 HydrophobicContact CB-CD2 4.04Å; D56-W81 HydrophobicContact CB-CG 4.01Å; D56-W81 HydrophobicContact CB-CZ2 4.36Å; D56-W81 VanDerWaalsContact CG-NE1 3.27Å; D56-W81 PolarHBondContact OD1-NE1 3.42Å; M60-W81 HydrophobicContact CB-CB 4.03Å; M60-W81 HydrophobicContact CE-CB 4.25Å; M60-W81 HydrophobicContact CE-CG 4.47Å; M60-W81 HydrophobicContact CG-CB 4.01Å; G77-W81 VanDerWaalsContact O-CB 3.3Å; G77-W81 WeakPolarHBondContact O-CB 3.44Å; G77-W81 PolarHBondContact O-N 3.03Å; S78-W81 PolarHBondContact O-N 3.22Å; W81-A83 VanDerWaalsContact C-N 3.34Å; W81-A83 PolarHBondContact O-N 3.4Å; W81-V84 PolarHBondContact O-N 3.47Å; W81-Q85 HydrophobicContact CD2-CG 4.2Å; W81-Q85 HydrophobicContact CE3-CG 3.77Å; W81-Q85 HydrophobicContact CH2-CG 3.66Å; W81-Q85 HydrophobicContact CZ2-CG 4.11Å; W81-Q85 HydrophobicContact CZ3-CG 3.48Å; W81-Q85 VanDerWaalsContact CZ3-CG 3.48Å; W81-Q85 WeakPolarHBondContact O-CG 3.46Å; W81-Q85 PolarHBondContact O-N 3.09Å; W81-Q85 VanDerWaalsContact O-N 3.15Å
82A97.8Very high96.8Very high0 Ų044.3 Ų44.30%023%0.234CC..Hα-helixtrans-63.5-39.7175.900000112.2V9 V50 S78 V80 V84 Q85 A86V9-A82 HydrophobicContact CB-CB 4.26Å; V9-A82 HydrophobicContact CG1-CB 3.79Å; V9-A82 HydrophobicContact CG2-CB 3.45Å; V9-A82 VanDerWaalsContact CG2-CB 3.45Å; V50-A82 HydrophobicContact CB-CB 3.97Å; V50-A82 HydrophobicContact CG1-CB 3.73Å; V50-A82 HydrophobicContact CG2-CB 4.49Å; S78-A82 WeakPolarHBondContact O-CB 3.43Å; S78-A82 PolarHBondContact O-N 2.82Å; V80-A82 VanDerWaalsContact C-N 3.32Å; V80-A82 PolarHBondContact O-N 2.86Å; A82-V84 PolarHBondContact O-N 3.42Å; A82-Q85 PolarHBondContact O-N 2.79Å; A82-Q85 VanDerWaalsContact O-N 3.16Å; A82-A86 WeakPolarHBondContact O-CB 3.49Å; A82-A86 PolarHBondContact O-N 3.05Å
83A98Very high96.7Very high16 Ų1650.5 Ų50.513%0.13227%0.267CS..Hα-helixtrans-61-42.4175.400000111.9A79 V80 W81 Q85 A86 A87 V98A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.05Å; A79-A83 PolarHBondContact O-N 2.94Å; V80-A83 WeakPolarHBondContact O-CB 3.43Å; V80-A83 PolarHBondContact O-N 2.98Å; W81-A83 VanDerWaalsContact C-N 3.34Å; W81-A83 PolarHBondContact O-N 3.4Å; A83-Q85 VanDerWaalsContact C-N 3.29Å; A83-Q85 PolarHBondContact O-N 2.91Å; A83-A86 PolarHBondContact O-N 3.04Å; A83-A87 WeakPolarHBondContact O-CA 3.41Å; A83-A87 WeakPolarHBondContact O-CB 3.41Å; A83-A87 PolarHBondContact O-N 3.15Å; A83-V98 HydrophobicContact CB-CG1 4.38Å; A83-V98 HydrophobicContact CB-CG2 3.38Å
84V97.4Very high96.6Very high73 Ų7355 Ų5544%0.44229%0.288SS..Hα-helixtrans-61.5-38.1174.9170.90000111.1V80 W81 A82 K88V80-V84 HydrophobicContact CG1-CG2 4.4Å; V80-V84 WeakPolarHBondContact O-CG2 3.27Å; V80-V84 PolarHBondContact O-N 3.11Å; W81-V84 PolarHBondContact O-N 3.47Å; A82-V84 PolarHBondContact O-N 3.42Å; V84-K88 WeakPolarHBondContact O-CG 3.48Å
85Q95.3Very high96.5Very high61 Ų6166.2 Ų66.229%0.28533%0.33SS..Hα-helixtrans-68.2-47.6175.1-56.1-44.3-46.800112.1W81 A82 A83W81-Q85 HydrophobicContact CD2-CG 4.2Å; W81-Q85 HydrophobicContact CE3-CG 3.77Å; W81-Q85 HydrophobicContact CH2-CG 3.66Å; W81-Q85 HydrophobicContact CZ2-CG 4.11Å; W81-Q85 HydrophobicContact CZ3-CG 3.48Å; W81-Q85 VanDerWaalsContact CZ3-CG 3.48Å; W81-Q85 WeakPolarHBondContact O-CG 3.46Å; W81-Q85 PolarHBondContact O-N 3.09Å; W81-Q85 VanDerWaalsContact O-N 3.15Å; A82-Q85 PolarHBondContact O-N 2.79Å; A82-Q85 VanDerWaalsContact O-N 3.16Å; A83-Q85 VanDerWaalsContact C-N 3.29Å; A83-Q85 PolarHBondContact O-N 2.91Å
86A93.1Very high96.5Very high17 Ų1769 Ų6914%0.1435%0.349CS..Hα-helixtrans-69.1-35.4-177.400000112.6V7 A82 A83 K88V7-A86 HydrophobicContact CG1-CB 4.37Å; V7-A86 HydrophobicContact CG2-CB 4.2Å; A82-A86 WeakPolarHBondContact O-CB 3.49Å; A82-A86 PolarHBondContact O-N 3.05Å; A83-A86 PolarHBondContact O-N 3.04Å; A86-K88 PolarHBondContact O-N 2.9Å
87A95.1Very high96.4Very high33 Ų3375.5 Ų75.527%0.27339%0.388SS..Hα-helixtrans-73.4-11.7-17700000113.8A83 N89 L90A83-A87 WeakPolarHBondContact O-CA 3.41Å; A83-A87 WeakPolarHBondContact O-CB 3.41Å; A83-A87 PolarHBondContact O-N 3.15Å; A87-N89 PolarHBondContact O-N 2.93Å; A87-L90 HydrophobicContact CB-CD1 3.99Å; A87-L90 HydrophobicContact CB-CG 4.48Å; A87-L90 WeakPolarHBondContact O-CB 3.49Å; A87-L90 PolarHBondContact O-N 2.82Å
88K94.1Very high96.4Very high143 Ų14378 Ų7862%0.62240%0.403SS*.THydrogen-bonded Turntrans-55-24.4173.6-73.6171.5179.4175.40113.3V84 A86V84-K88 WeakPolarHBondContact O-CG 3.48Å; A86-K88 PolarHBondContact O-N 2.9Å
89N88.5Confident96.4Very high137 Ų13783.1 Ų83.173%0.73343%0.434SS*.THydrogen-bonded Turntrans-93.3-1.2-179.7-60.9-38.8000113.6A87A87-N89 PolarHBondContact O-N 2.93Å
90L95.2Very high96.4Very high70 Ų7085.3 Ų85.337%0.36644%0.443SS..  trans-85149.5177.6-62.3179.8000110.9A87 Q94 C96A87-L90 HydrophobicContact CB-CD1 3.99Å; A87-L90 HydrophobicContact CB-CG 4.48Å; A87-L90 WeakPolarHBondContact O-CB 3.49Å; A87-L90 PolarHBondContact O-N 2.82Å; L90-Q94 HydrophobicContact CB-CB 4.11Å; L90-Q94 HydrophobicContact CD2-CB 4.08Å; L90-Q94 HydrophobicContact CG-CB 4.48Å; L90-C96 HydrophobicContact CD1-CB 3.89Å
91N95.6Very high96.4Very high90 Ų9088 Ų8848%0.48146%0.461SS..  trans-92.5169.2169.268.161.9000111.9N93 Q94N91-N93 PolarHBondContact O-N 2.77Å; N91-N93 PolarHBondContact OD1-N 3.27Å; N91-Q94 PolarHBondContact ND2-OE1 3.14Å; N91-Q94 PolarHBondContact O-N 2.95Å; N91-Q94 PolarHBondContact OD1-N 2.91Å
92E96.1Very high96.4Very high179 Ų17987.5 Ų87.584%0.83646%0.463SS*.THydrogen-bonded Turntrans-56.5-23.3-176.865.4-178.9-175.500115
93N96Very high96.4Very high135 Ų13588.9 Ų88.972%0.72248%0.477SS*.THydrogen-bonded Turntrans-96.21.1-178.6-65.5-57.6000112.9N91N91-N93 PolarHBondContact O-N 2.77Å; N91-N93 PolarHBondContact OD1-N 3.27Å
94Q96.9Very high96.4Very high95 Ų9589 Ų8944%0.44448%0.476SS..  trans-98.2158.8177.3-68.9177.6-64.600111.3L90 N91L90-Q94 HydrophobicContact CB-CB 4.11Å; L90-Q94 HydrophobicContact CD2-CB 4.08Å; L90-Q94 HydrophobicContact CG-CB 4.48Å; N91-Q94 PolarHBondContact ND2-OE1 3.14Å; N91-Q94 PolarHBondContact O-N 2.95Å; N91-Q94 PolarHBondContact OD1-N 2.91Å
95R97Very high96.5Very high236 Ų23695.2 Ų95.289%0.89149%0.492SS*.  trans-127.5135.6-179-63.7-179.4-172.21602.2110.1
96C97.7Very high96.6Very high68 Ų6896.3 Ų96.346%0.45950%0.499SS..  trans-106136.4168-174.90000108.3L90L90-C96 HydrophobicContact CD1-CB 3.89Å
97V98.2Very high96.8Very high136 Ų13696.1 Ų96.182%0.82450%0.495SS*.  trans-117.4134.7173.2177.50000107.3
98V98.7Very high96.9Very high53 Ų5399.1 Ų99.132%0.32151%0.505SS..  trans-121.7136.8-178.2-168.20000109A79 V80 A83 L100A79-V98 HydrophobicContact CB-CG1 3.62Å; V80-V98 HydrophobicContact CG2-CB 4.49Å; V80-V98 HydrophobicContact CG2-CG1 3.88Å; A83-V98 HydrophobicContact CB-CG1 4.38Å; A83-V98 HydrophobicContact CB-CG2 3.38Å; V98-L100 HydrophobicContact CG1-CD2 4.07Å
99V98.6Very high97.1Very high109 Ų10997.8 Ų97.866%0.66151%0.509SS*.  trans-91.7126.4175.4179.40000108.7P101V99-P101 WeakPolarHBondContact O-CD 3.26Å
100L98.6Very high97.6Very high62 Ų6294.1 Ų94.133%0.32549%0.486SS..  trans-108.198.2175.5-51.7-172.2000108L70 C72 S76 V80 V98 D102L70-L100 HydrophobicContact CD1-CD1 4.04Å; C72-L100 HydrophobicContact CB-CD1 4.47Å; S76-L100 VanDerWaalsContact OG-CA 3.3Å; S76-L100 WeakPolarHBondContact OG-CA 3.19Å; S76-L100 WeakPolarHBondContact OG-CB 3.35Å; V80-L100 HydrophobicContact CG2-CD2 3.57Å; V98-L100 HydrophobicContact CG1-CD2 4.07Å; L100-D102 PolarHBondContact O-N 2.64Å
101P98.5Very high97.7Very high80 Ų8090.9 Ų90.952%0.51947%0.469SS..  trans-68.4-36.1-160.5-26.237.4000115.2S75 S76 V99S75-P101 WeakPolarHBondContact OG-CG 2.9Å; S76-P101 VanDerWaalsContact OG-CD 3.28Å; S76-P101 WeakPolarHBondContact OG-CD 3.4Å; V99-P101 WeakPolarHBondContact O-CD 3.26Å
102D98.6Very high97.7Very high45 Ų4589 Ų8924%0.24146%0.459CS..  trans-150.4-178.1-174.784.3-30.4000113.6C72 G73 L100 N106 Y107C72-D102 CarbonylContact C-O 3.52Å; C72-D102 VanDerWaalsContact CA-O 3.31Å; C72-D102 WeakPolarHBondContact CA-O 3.46Å; G73-D102 WeakPolarHBondContact CA-OD1 3.32Å; G73-D102 PolarHBondContact N-O 3.49Å; L100-D102 PolarHBondContact O-N 2.64Å; D102-N106 PolarHBondContact OD2-ND2 3.45Å; D102-Y107 PolarHBondContact OD1-OH 3Å; D102-Y107 WeakPolarHBondContact OD2-CE2 3.29Å; D102-Y107 PolarHBondContact OD2-OH 2.97Å
103G98.2Very high97.8Very high29 Ų2984.9 Ų84.930%0.29944%0.44SS..BIsolated β-bridgetrans-110.4166.9-174.600000114.8L71 R105L71-G103 CarbonylContact O-C 3.51Å; L71-G103 WeakPolarHBondContact O-CA 3.37Å; G103-R105 PolarHBondContact O-N 3.02Å
104V97.8Very high97.8Very high19 Ų1981 Ų8112%0.11542%0.419CS..G310 helixtrans-58.5-17.8-178.1-660000115.5I65 L71 C72 N106 Y107 M108 F111 L112I65-V104 HydrophobicContact CD1-CG1 3.52Å; I65-V104 HydrophobicContact CG1-CG1 4.2Å; L71-V104 HydrophobicContact CB-CG1 4.41Å; L71-V104 HydrophobicContact CB-CG2 4.05Å; L71-V104 HydrophobicContact CD2-CG2 4.37Å; L71-V104 PolarHBondContact O-N 2.89Å; C72-V104 WeakPolarHBondContact O-CG1 3.23Å; V104-N106 PolarHBondContact O-N 2.81Å; V104-N106 VanDerWaalsContact O-N 3.08Å; V104-Y107 PolarHBondContact O-N 3.2Å; V104-M108 HydrophobicContact CG2-SD 4.49Å; V104-M108 PolarHBondContact O-N 3.12Å; V104-F111 HydrophobicContact CG1-CZ 4.48Å; V104-L112 HydrophobicContact CG1-CD1 4.41Å
105R98.4Very high97.7Very high203 Ų20382.6 Ų82.677%0.76643%0.43SS*.G310 helixtrans-52.6-36.5-174.7-174.5-171.666.7-171.4-2.3112.7G103 Y107 M108G103-R105 PolarHBondContact O-N 3.02Å; R105-Y107 PolarHBondContact O-N 2.9Å; R105-M108 WeakPolarHBondContact O-CG 3.31Å
106N97.8Very high97.7Very high83 Ų8372.9 Ų72.944%0.44439%0.394SS..G310 helixtrans-76.1-11.3-176.9-57.9-29.6000112.5D102 V104D102-N106 PolarHBondContact OD2-ND2 3.45Å; V104-N106 PolarHBondContact O-N 2.81Å; V104-N106 VanDerWaalsContact O-N 3.08Å
107Y98.2Very high97.7Very high14 Ų1469.7 Ų69.76%0.05537%0.372CS..G310 helixtrans-127.717.4-166.1-44.7-70.6000113.4E30 D102 V104 R105 T109 K110 F111E30-Y107 HydrophobicContact CB-CE1 4.16Å; E30-Y107 HydrophobicContact CG-CE1 4.34Å; E30-Y107 WeakPolarHBondContact OE1-CE1 3.19Å; D102-Y107 PolarHBondContact OD1-OH 3Å; D102-Y107 WeakPolarHBondContact OD2-CE2 3.29Å; D102-Y107 PolarHBondContact OD2-OH 2.97Å; V104-Y107 PolarHBondContact O-N 3.2Å; R105-Y107 PolarHBondContact O-N 2.9Å; Y107-T109 PolarHBondContact O-N 2.88Å; Y107-K110 PolarHBondContact O-N 2.98Å; Y107-F111 HydrophobicContact CD1-CD1 4.5Å; Y107-F111 HydrophobicContact CD1-CE1 4.37Å; Y107-F111 HydrophobicContact CD2-CD1 4.48Å; Y107-F111 AromaticContact CD2-CE1 3.62Å; Y107-F111 HydrophobicContact CD2-CE1 3.62Å; Y107-F111 HydrophobicContact CD2-CZ 4.44Å; Y107-F111 HydrophobicContact CE2-CE1 4.48Å; Y107-F111 AromaticContact CG-CD1 3.95Å; Y107-F111 HydrophobicContact CG-CD1 3.95Å; Y107-F111 AromaticContact CG-CE1 3.52Å; Y107-F111 HydrophobicContact CG-CE1 3.52Å
108M97.3Very high97.6Very high96 Ų9666.2 Ų66.247%0.47335%0.348SS..THydrogen-bonded Turntrans-55.6-27.1-175.3-67-63.3-63.800114.1V104 R105 L112 Q113V104-M108 HydrophobicContact CG2-SD 4.49Å; V104-M108 PolarHBondContact O-N 3.12Å; R105-M108 WeakPolarHBondContact O-CG 3.31Å; M108-L112 HydrophobicContact CE-CD2 4.05Å; M108-L112 HydrophobicContact SD-CD2 3.64Å; M108-Q113 WeakPolarHBondContact O-CG 3.47Å; M108-Q113 PolarHBondContact O-NE2 3.4Å
109T97.3Very high97.5Very high115 Ų11571.2 Ų71.271%0.70637%0.368SS*.THydrogen-bonded Turntrans-111.814.4178.759.30000113Y107Y107-T109 PolarHBondContact O-N 2.88Å
110K98.1Very high97.3Very high60 Ų6069.8 Ų69.826%0.26135%0.353SS..THydrogen-bonded Turntrans-116.5-124.7178.2-67.3-170.4169.8-172.50110.5E30 Y107 L112 Q113 W116E30-K110 WeakPolarHBondContact OE1-CE 3.43Å; E30-K110 IonicContact OE1-NZ 3.33Å; E30-K110 PolarHBondContact OE1-NZ 2.76Å; Y107-K110 PolarHBondContact O-N 2.98Å; K110-L112 PolarHBondContact O-N 3.12Å; K110-Q113 WeakPolarHBondContact O-CB 3.28Å; K110-Q113 PolarHBondContact O-N 3.34Å; K110-W116 VanDerWaalsContact C-CD2 3.47Å; K110-W116 VanDerWaalsContact C-CE3 3.43Å; K110-W116 HydrophobicContact CB-CD2 4.09Å; K110-W116 HydrophobicContact CB-CE3 4.45Å; K110-W116 HydrophobicContact CB-CH2 4.47Å; K110-W116 HydrophobicContact CB-CZ2 4.12Å; K110-W116 HydrophobicContact CD-CZ2 4.4Å; K110-W116 HydrophobicContact CG-CZ2 4.3Å; K110-W116 WeakPolarHBondContact O-CB 3.32Å
111F97.8Very high97.1Very high1 Ų169.8 Ų69.80%0.00437%0.368CS..THydrogen-bonded Turntrans-57.1-20.9-172.681.6-97.4000114.7F58 A61 R62 I65 V104 Y107 Q113 W116 M117F58-F111 HydrophobicContact CB-CB 3.91Å; F58-F111 HydrophobicContact CB-CG 4.49Å; F58-F111 HydrophobicContact CD1-CB 3.43Å; F58-F111 VanDerWaalsContact CD1-CB 3.43Å; F58-F111 AromaticContact CD1-CD1 3.88Å; F58-F111 HydrophobicContact CD1-CD1 3.88Å; F58-F111 HydrophobicContact CD1-CD2 4.41Å; F58-F111 AromaticContact CD1-CG 3.67Å; F58-F111 HydrophobicContact CD1-CG 3.67Å; F58-F111 HydrophobicContact CE1-CB 4.08Å; F58-F111 HydrophobicContact CE1-CD1 4.13Å; F58-F111 HydrophobicContact CE1-CG 4.33Å; F58-F111 HydrophobicContact CG-CB 3.7Å; F58-F111 HydrophobicContact CG-CG 4.34Å; A61-F111 HydrophobicContact CB-CD2 4.22Å; A61-F111 HydrophobicContact CB-CE2 3.65Å; A61-F111 HydrophobicContact CB-CZ 4Å; R62-F111 WeakPolarHBondContact CD-O 3.35Å; R62-F111 HydrophobicContact CG-CD2 3.91Å; R62-F111 HydrophobicContact CG-CE2 4.3Å; R62-F111 PolarHBondContact NH1-O 2.86Å; I65-F111 HydrophobicContact CD1-CE2 4.06Å; V104-F111 HydrophobicContact CG1-CZ 4.48Å; Y107-F111 HydrophobicContact CD1-CD1 4.5Å; Y107-F111 HydrophobicContact CD1-CE1 4.37Å; Y107-F111 HydrophobicContact CD2-CD1 4.48Å; Y107-F111 AromaticContact CD2-CE1 3.62Å; Y107-F111 HydrophobicContact CD2-CE1 3.62Å; Y107-F111 HydrophobicContact CD2-CZ 4.44Å; Y107-F111 HydrophobicContact CE2-CE1 4.48Å; Y107-F111 AromaticContact CG-CD1 3.95Å; Y107-F111 HydrophobicContact CG-CD1 3.95Å; Y107-F111 AromaticContact CG-CE1 3.52Å; Y107-F111 HydrophobicContact CG-CE1 3.52Å; F111-Q113 PolarHBondContact O-N 3.21Å; F111-W116 HydrophobicContact CB-CE3 4.26Å; F111-W116 HydrophobicContact CB-CZ3 3.9Å; F111-M117 HydrophobicContact CB-SD 3.79Å; F111-M117 WeakPolarHBondContact O-CG 3.32Å
112L96.9Very high97Very high52 Ų5267.3 Ų67.327%0.27235%0.349SS..THydrogen-bonded Turntrans-67.1-24.6174.2-161.567.2000112.7I65 V104 M108 K110I65-L112 HydrophobicContact CD1-CD1 3.96Å; V104-L112 HydrophobicContact CG1-CD1 4.41Å; M108-L112 HydrophobicContact CE-CD2 4.05Å; M108-L112 HydrophobicContact SD-CD2 3.64Å; K110-L112 PolarHBondContact O-N 3.12Å
113Q96.6Very high96.7Very high92 Ų9266.6 Ų66.643%0.4335%0.345SS..SBendtrans-94.7127.8179.1-61-65.5-29.500111.2M108 K110 F111 N115 W116 M117M108-Q113 WeakPolarHBondContact O-CG 3.47Å; M108-Q113 PolarHBondContact O-NE2 3.4Å; K110-Q113 WeakPolarHBondContact O-CB 3.28Å; K110-Q113 PolarHBondContact O-N 3.34Å; F111-Q113 PolarHBondContact O-N 3.21Å; Q113-N115 VanDerWaalsContact C-N 3.31Å; Q113-N115 PolarHBondContact O-N 3.46Å; Q113-W116 HydrophobicContact CB-CB 4.09Å; Q113-W116 PolarHBondContact O-N 3.4Å; Q113-M117 WeakPolarHBondContact O-CG 3.28Å; Q113-M117 PolarHBondContact O-N 2.98Å; Q113-M117 VanDerWaalsContact O-N 3.11Å
114D95.7Very high96.1Very high54 Ų5466.7 Ų66.729%0.28935%0.346SS..Hα-helixtrans-62.3-41179.7-65.622.9000110.8R62 W116 M117 I118 L123 T129R62-D114 IonicContact CZ-OD1 2.64Å; R62-D114 IonicContact NH1-OD1 2.67Å; R62-D114 PolarHBondContact NH1-OD1 3.42Å; R62-D114 IonicContact NH2-OD1 2.67Å; R62-D114 PolarHBondContact NH2-OD1 2.74Å; R62-D114 IonicContact NH2-OD2 2.86Å; D114-W116 VanDerWaalsContact C-N 3.31Å; D114-W116 PolarHBondContact O-N 2.88Å; D114-M117 WeakPolarHBondContact O-CB 3.31Å; D114-M117 PolarHBondContact O-N 2.82Å; D114-M117 VanDerWaalsContact O-N 3.12Å; D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.35Å; D114-I118 PolarHBondContact O-N 3.2Å; D114-L123 HydrophobicContact CB-CD2 4.34Å; D114-T129 PolarHBondContact OD2-OG1 3.48Å
115N96Very high94.9Very high127 Ų12770.6 Ų70.668%0.67937%0.373SS*.Hα-helixtrans-58.9-41.9177.4-69.3-8.8000112.4Q113 I118 E119Q113-N115 VanDerWaalsContact C-N 3.31Å; Q113-N115 PolarHBondContact O-N 3.46Å; N115-I118 PolarHBondContact O-N 3.15Å; N115-E119 WeakPolarHBondContact O-CB 3.43Å; N115-E119 PolarHBondContact O-N 3.33Å
116W97Very high93.7Very high32 Ų3268.2 Ų68.212%0.12138%0.375CS..Hα-helixtrans-67.2-40.8177.3-176.592.9000111E28 F58 K110 F111 Q113 D114 I118 E119 K120 F122E28-W116 HydrophobicContact CB-CH2 4.06Å; E28-W116 HydrophobicContact CB-CZ2 4.35Å; E28-W116 HydrophobicContact CG-CH2 4.32Å; E28-W116 HydrophobicContact CG-CZ2 4.39Å; F58-W116 HydrophobicContact CD2-CH2 4.31Å; F58-W116 HydrophobicContact CD2-CZ3 4.1Å; F58-W116 AromaticContact CE2-CH2 3.8Å; F58-W116 HydrophobicContact CE2-CH2 3.8Å; F58-W116 HydrophobicContact CE2-CZ3 4.06Å; F58-W116 HydrophobicContact CZ-CH2 4.04Å; F58-W116 HydrophobicContact CZ-CZ3 4.48Å; K110-W116 VanDerWaalsContact C-CD2 3.47Å; K110-W116 VanDerWaalsContact C-CE3 3.43Å; K110-W116 HydrophobicContact CB-CD2 4.09Å; K110-W116 HydrophobicContact CB-CE3 4.45Å; K110-W116 HydrophobicContact CB-CH2 4.47Å; K110-W116 HydrophobicContact CB-CZ2 4.12Å; K110-W116 HydrophobicContact CD-CZ2 4.4Å; K110-W116 HydrophobicContact CG-CZ2 4.3Å; K110-W116 WeakPolarHBondContact O-CB 3.32Å; F111-W116 HydrophobicContact CB-CE3 4.26Å; F111-W116 HydrophobicContact CB-CZ3 3.9Å; Q113-W116 HydrophobicContact CB-CB 4.09Å; Q113-W116 PolarHBondContact O-N 3.4Å; D114-W116 VanDerWaalsContact C-N 3.31Å; D114-W116 PolarHBondContact O-N 2.88Å; W116-I118 VanDerWaalsContact C-N 3.33Å; W116-I118 PolarHBondContact O-N 2.9Å; W116-E119 PolarHBondContact O-N 3.04Å; W116-K120 HydrophobicContact CD2-CG 3.95Å; W116-K120 HydrophobicContact CE3-CG 4.17Å; W116-K120 HydrophobicContact CH2-CG 4.03Å; W116-K120 HydrophobicContact CZ2-CD 4.32Å; W116-K120 HydrophobicContact CZ2-CG 3.79Å; W116-K120 HydrophobicContact CZ3-CG 4.2Å; W116-K120 WeakPolarHBondContact O-CB 3.43Å; W116-K120 WeakPolarHBondContact O-CG 3.4Å; W116-K120 PolarHBondContact O-N 3.43Å; W116-F122 HydrophobicContact CH2-CD2 4.3Å; W116-F122 AromaticContact CH2-CE2 3.85Å; W116-F122 HydrophobicContact CH2-CE2 3.85Å; W116-F122 AromaticContact CZ3-CD2 3.84Å; W116-F122 HydrophobicContact CZ3-CD2 3.84Å; W116-F122 AromaticContact CZ3-CE2 3.88Å; W116-F122 HydrophobicContact CZ3-CE2 3.88Å
117M97.2Very high92.3Very high1 Ų168.4 Ų68.41%0.00538%0.376CS..Hα-helixtrans-62.4-39.4175.8-70-70.8-71.500112.2F58 F111 Q113 D114 G121 F122 L123F58-M117 HydrophobicContact CB-CE 3.64Å; F58-M117 HydrophobicContact CB-SD 3.72Å; F58-M117 HydrophobicContact CD2-SD 4.48Å; F58-M117 HydrophobicContact CG-SD 4.29Å; F111-M117 HydrophobicContact CB-SD 3.79Å; F111-M117 WeakPolarHBondContact O-CG 3.32Å; Q113-M117 WeakPolarHBondContact O-CG 3.28Å; Q113-M117 PolarHBondContact O-N 2.98Å; Q113-M117 VanDerWaalsContact O-N 3.11Å; D114-M117 WeakPolarHBondContact O-CB 3.31Å; D114-M117 PolarHBondContact O-N 2.82Å; D114-M117 VanDerWaalsContact O-N 3.12Å; M117-G121 PolarHBondContact O-N 3.06Å; M117-F122 HydrophobicContact CE-CB 3.55Å; M117-F122 PolarHBondContact O-N 2.71Å; M117-F122 HydrophobicContact SD-CB 4.04Å; M117-F122 HydrophobicContact SD-CD2 4.12Å; M117-L123 HydrophobicContact CB-CB 3.79Å; M117-L123 HydrophobicContact CB-CD2 4.37Å; M117-L123 PolarHBondContact O-N 2.84Å
118I96.2Very high90.3Very high64 Ų6475.2 Ų75.233%0.32841%0.409SS..Hα-helixtrans-69.4-46.9176.2-66.7164.4000110.5D114 N115 W116 K120 G121 L123D114-I118 VanDerWaalsContact O-CG1 3.31Å; D114-I118 WeakPolarHBondContact O-CG1 3.35Å; D114-I118 PolarHBondContact O-N 3.2Å; N115-I118 PolarHBondContact O-N 3.15Å; W116-I118 VanDerWaalsContact C-N 3.33Å; W116-I118 PolarHBondContact O-N 2.9Å; I118-K120 VanDerWaalsContact C-N 3.26Å; I118-K120 PolarHBondContact O-N 3.18Å; I118-G121 PolarHBondContact O-N 2.68Å; I118-L123 HydrophobicContact CG1-CB 4.11Å; I118-L123 HydrophobicContact CG1-CD2 4.18Å; I118-L123 HydrophobicContact CG1-CG 4.34Å
119E96.1Very high88.4Confident158 Ų15873.1 Ų73.174%0.73840%0.402SS*.Hα-helixtrans-57.3-40.4178.3-175.3-173.9161.400111.7N115 W116 G121N115-E119 WeakPolarHBondContact O-CB 3.43Å; N115-E119 PolarHBondContact O-N 3.33Å; W116-E119 PolarHBondContact O-N 3.04Å; E119-G121 VanDerWaalsContact C-N 3.29Å; E119-G121 PolarHBondContact O-N 2.67Å
120K95.3Very high86.4Confident79 Ų7972.7 Ų72.734%0.34340%0.4SS..THydrogen-bonded Turntrans-79.7-6.2176.4-65.1-66.3-175.21730114.2E28 W116 I118 F122E28-K120 VanDerWaalsContact CD-NZ 3.27Å; E28-K120 HydrophobicContact CG-CD 4.39Å; E28-K120 WeakPolarHBondContact OE1-CE 3.17Å; E28-K120 IonicContact OE1-NZ 3.2Å; E28-K120 PolarHBondContact OE1-NZ 3.12Å; E28-K120 IonicContact OE2-NZ 2.64Å; E28-K120 PolarHBondContact OE2-NZ 3.17Å; W116-K120 HydrophobicContact CD2-CG 3.95Å; W116-K120 HydrophobicContact CE3-CG 4.17Å; W116-K120 HydrophobicContact CH2-CG 4.03Å; W116-K120 HydrophobicContact CZ2-CD 4.32Å; W116-K120 HydrophobicContact CZ2-CG 3.79Å; W116-K120 HydrophobicContact CZ3-CG 4.2Å; W116-K120 WeakPolarHBondContact O-CB 3.43Å; W116-K120 WeakPolarHBondContact O-CG 3.4Å; W116-K120 PolarHBondContact O-N 3.43Å; I118-K120 VanDerWaalsContact C-N 3.26Å; I118-K120 PolarHBondContact O-N 3.18Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 HydrophobicContact CB-CD2 3.51Å; K120-F122 HydrophobicContact CB-CE2 3.4Å; K120-F122 VanDerWaalsContact CB-CE2 3.4Å; K120-F122 HydrophobicContact CB-CG 4.19Å; K120-F122 HydrophobicContact CB-CZ 3.99Å; K120-F122 HydrophobicContact CG-CD2 4.4Å; K120-F122 HydrophobicContact CG-CE2 4.03Å
121G94.8Very high84.2Confident62 Ų6275.5 Ų75.564%0.63942%0.423SS*.THydrogen-bonded Turntrans75.317.1-179.700000114.7M117 I118 E119M117-G121 PolarHBondContact O-N 3.06Å; I118-G121 PolarHBondContact O-N 2.68Å; E119-G121 VanDerWaalsContact C-N 3.29Å; E119-G121 PolarHBondContact O-N 2.67Å
122F94.9Very high82.1Confident28 Ų2881.4 Ų81.412%0.12345%0.449CS..SBendtrans-86-14.7176.5-55.2-39.3000113.1E28 D54 A55 F58 K59 W116 M117 K120E28-F122 HydrophobicContact CB-CE2 4.47Å; E28-F122 HydrophobicContact CG-CE2 4.18Å; E28-F122 HydrophobicContact CG-CZ 4.09Å; D54-F122 HydrophobicContact CB-CD1 4.43Å; D54-F122 HydrophobicContact CB-CE1 3.59Å; D54-F122 HydrophobicContact CB-CE2 4.14Å; D54-F122 HydrophobicContact CB-CZ 3.41Å; D54-F122 VanDerWaalsContact CB-CZ 3.41Å; A55-F122 HydrophobicContact CB-CD1 3.97Å; F58-F122 AromaticContact CD2-CD2 3.55Å; F58-F122 HydrophobicContact CD2-CD2 3.55Å; F58-F122 AromaticContact CD2-CE2 3.56Å; F58-F122 HydrophobicContact CD2-CE2 3.56Å; F58-F122 HydrophobicContact CD2-CG 4.29Å; F58-F122 HydrophobicContact CD2-CZ 4.31Å; F58-F122 HydrophobicContact CE2-CD2 4Å; F58-F122 AromaticContact CE2-CE2 3.5Å; F58-F122 HydrophobicContact CE2-CE2 3.5Å; F58-F122 HydrophobicContact CE2-CZ 4.12Å; K59-F122 WeakPolarHBondContact CE-O 3.47Å; W116-F122 HydrophobicContact CH2-CD2 4.3Å; W116-F122 AromaticContact CH2-CE2 3.85Å; W116-F122 HydrophobicContact CH2-CE2 3.85Å; W116-F122 AromaticContact CZ3-CD2 3.84Å; W116-F122 HydrophobicContact CZ3-CD2 3.84Å; W116-F122 AromaticContact CZ3-CE2 3.88Å; W116-F122 HydrophobicContact CZ3-CE2 3.88Å; M117-F122 HydrophobicContact CE-CB 3.55Å; M117-F122 PolarHBondContact O-N 2.71Å; M117-F122 HydrophobicContact SD-CB 4.04Å; M117-F122 HydrophobicContact SD-CD2 4.12Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 HydrophobicContact CB-CD2 3.51Å; K120-F122 HydrophobicContact CB-CE2 3.4Å; K120-F122 VanDerWaalsContact CB-CE2 3.4Å; K120-F122 HydrophobicContact CB-CG 4.19Å; K120-F122 HydrophobicContact CB-CZ 3.99Å; K120-F122 HydrophobicContact CG-CD2 4.4Å; K120-F122 HydrophobicContact CG-CE2 4.03Å
123L92.3Very high79.6Confident30 Ų3085.9 Ų85.916%0.15748%0.478CS..SBendtrans-132135.1176-170.367.4000109.6D114 M117 I118 D127D114-L123 HydrophobicContact CB-CD2 4.34Å; M117-L123 HydrophobicContact CB-CB 3.79Å; M117-L123 HydrophobicContact CB-CD2 4.37Å; M117-L123 PolarHBondContact O-N 2.84Å; I118-L123 HydrophobicContact CG1-CB 4.11Å; I118-L123 HydrophobicContact CG1-CD2 4.18Å; I118-L123 HydrophobicContact CG1-CG 4.34Å; L123-D127 HydrophobicContact CD1-CB 3.48Å; L123-D127 VanDerWaalsContact CD1-CB 3.48Å; L123-D127 WeakPolarHBondContact CD1-O 3.38Å; L123-D127 HydrophobicContact CG-CB 3.92Å
124G87.1Confident77.7Confident30 Ų3093.4 Ų93.431%0.30950%0.503SS..  trans-69.8151.5173.600000111.5N126 D127G124-N126 PolarHBondContact O-N 3.16Å; G124-N126 VanDerWaalsContact O-N 3.12Å; G124-D127 VanDerWaalsContact CA-OD2 3.28Å; G124-D127 WeakPolarHBondContact CA-OD2 3.43Å; G124-D127 PolarHBondContact N-OD2 2.97Å; G124-D127 WeakPolarHBondContact O-CB 3.14Å; G124-D127 PolarHBondContact O-N 2.81Å
125C72.5Confident76.8Confident102 Ų10295.4 Ų95.469%0.68951%0.513SS*.THydrogen-bonded Turntrans-59.2-26.1178.6-168.10000113.1
126N72.6Confident75.8Confident152 Ų15293.7 Ų93.781%0.81351%0.505SS*.THydrogen-bonded Turntrans-100-2.9177.8-61.8-20.1000113.3G124 E128G124-N126 PolarHBondContact O-N 3.16Å; G124-N126 VanDerWaalsContact O-N 3.12Å; N126-E128 PolarHBondContact O-N 2.98Å
127D67.4Low74.7Confident88 Ų8897.1 Ų97.147%0.47153%0.526SS..  trans-82.659.5176.6-62-28.3000108L123 G124 T129L123-D127 HydrophobicContact CD1-CB 3.48Å; L123-D127 VanDerWaalsContact CD1-CB 3.48Å; L123-D127 WeakPolarHBondContact CD1-O 3.38Å; L123-D127 HydrophobicContact CG-CB 3.92Å; G124-D127 VanDerWaalsContact CA-OD2 3.28Å; G124-D127 WeakPolarHBondContact CA-OD2 3.43Å; G124-D127 PolarHBondContact N-OD2 2.97Å; G124-D127 WeakPolarHBondContact O-CB 3.14Å; G124-D127 PolarHBondContact O-N 2.81Å; D127-T129 PolarHBondContact O-N 3.49Å
128E56.7Low73.3Confident156 Ų156102.8 Ų102.873%0.72956%0.557SS**PPolyproline II helixtrans-63.2128.9171.5-73.5-168.7172.600108.5N126N126-E128 PolarHBondContact O-N 2.98Å
129T57.8Low71.9Confident53 Ų53105.2 Ų105.233%0.32557%0.571SS.*PPolyproline II helixtrans-51.4127172.5-510000107.7R62 D114 D127 T131R62-T129 PolarHBondContact NH2-OG1 3.31Å; D114-T129 PolarHBondContact OD2-OG1 3.48Å; D127-T129 PolarHBondContact O-N 3.49Å; T129-T131 PolarHBondContact O-N 2.95Å
130P56Low70.3Confident105 Ų105101.7 Ų101.768%0.68256%0.56SS**PPolyproline II helixtrans-49.6119.6-174.2-14.312000109.7K132P130-K132 PolarHBondContact O-N 2.67Å
131T51.6Low68.5Low119 Ų119103.3 Ų103.373%0.7358%0.575SS**  trans-58.3115.6179.9-11.90000106.8T129 T133T129-T131 PolarHBondContact O-N 2.95Å; T131-T133 PolarHBondContact O-N 3.33Å; T131-T133 VanDerWaalsContact O-N 3.09Å
132K54.3Low66.5Low126 Ų126106.5 Ų106.555%0.54857%0.57SS.*  trans-54.6118.6-179.9-82.7170.1167.2-151.40108.9P130 W134P130-K132 PolarHBondContact O-N 2.67Å; K132-W134 VanDerWaalsContact C-N 3.29Å; K132-W134 HydrophobicContact CB-CD2 4.23Å; K132-W134 HydrophobicContact CB-CG 4.41Å; K132-W134 HydrophobicContact CB-CZ2 4.23Å; K132-W134 HydrophobicContact CD-CZ2 3.43Å; K132-W134 VanDerWaalsContact CD-CZ2 3.43Å; K132-W134 VanDerWaalsContact CD-NE1 3.31Å; K132-W134 HydrophobicContact CG-CD2 4.35Å; K132-W134 VanDerWaalsContact CG-CE2 3.47Å; K132-W134 HydrophobicContact CG-CH2 4.23Å; K132-W134 HydrophobicContact CG-CZ2 3.47Å; K132-W134 VanDerWaalsContact CG-CZ2 3.47Å; K132-W134 PolarHBondContact O-N 3.13Å
133T44.1Very low64.1Low146 Ų146113 Ų11390%0.89661%0.608SS**  trans-92.527.1179.342.70000113.1T131T131-T133 PolarHBondContact O-N 3.33Å; T131-T133 VanDerWaalsContact O-N 3.09Å
134W56.9Low61.5Low249 Ų249120.5 Ų120.594%0.94365%0.649SS**  trans-1010170.238.167.7000111.8K132K132-W134 VanDerWaalsContact C-N 3.29Å; K132-W134 HydrophobicContact CB-CD2 4.23Å; K132-W134 HydrophobicContact CB-CG 4.41Å; K132-W134 HydrophobicContact CB-CZ2 4.23Å; K132-W134 HydrophobicContact CD-CZ2 3.43Å; K132-W134 VanDerWaalsContact CD-CZ2 3.43Å; K132-W134 VanDerWaalsContact CD-NE1 3.31Å; K132-W134 HydrophobicContact CG-CD2 4.35Å; K132-W134 VanDerWaalsContact CG-CE2 3.47Å; K132-W134 HydrophobicContact CG-CH2 4.23Å; K132-W134 HydrophobicContact CG-CZ2 3.47Å; K132-W134 VanDerWaalsContact CG-CZ2 3.47Å; K132-W134 PolarHBondContact O-N 3.13Å

Retrieved 134 of 134 residues in 301.1 ms (Link to these results)

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