A0A077ZID7_TRITR Loading...

Ubiquitin protein ligase

AlphaFold DB , UniProt , Accession A0A077ZID7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M35.5Very low64.6Low247 Ų247122.2 Ų122.2100%1.21767%0.667SS**  083.60-65.4179.8-160.200108.4
2S32.9Very low67.2Low113 Ų113112 Ų11279%0.7961%0.611SS**  trans-96.6102.4-174.449.50000110.5L4S2-L4 PolarHBondContact O-N 3.23Å
3S41.3Very low69.4Low113 Ų113109.1 Ų109.179%0.7959%0.593SS**  trans-82.929.4177.549.10000113.9
4L43.9Very low71.3Confident120 Ų120107.8 Ų107.863%0.62858%0.579SS**  trans-112.325.7-162.9-82.9163.4000116.5S2S2-L4 PolarHBondContact O-N 3.23Å
5N44.2Very low73Confident167 Ų167101.1 Ų101.189%0.89354%0.543SS*.  trans-118.136.8173.2-83.4-5.2000113.6S7N5-S7 PolarHBondContact O-N 2.81Å
6V62Low74.4Confident122 Ų12296.1 Ų96.174%0.73952%0.517SS*.SBendtrans-70.6116.2157.4-178.80000106.3L8V6-L8 PolarHBondContact O-N 2.86Å
7S80.7Confident75.6Confident108 Ų10896.8 Ų96.876%0.75552%0.516SS*.PPolyproline II helixtrans-55.1125.7-178.955.60000109.9N5N5-S7 PolarHBondContact O-N 2.81Å
8L88.2Confident76.7Confident44 Ų4498.9 Ų98.923%0.2352%0.516CS..PPolyproline II helixtrans-63131.4-180-166.170000108.7V6 R10 I12 I13 A36 R37V6-L8 PolarHBondContact O-N 2.86Å; L8-R10 PolarHBondContact O-N 3.2Å; L8-I12 HydrophobicContact CD1-CB 4.32Å; L8-I12 HydrophobicContact CD1-CD1 3.86Å; L8-I12 HydrophobicContact CD1-CG2 4.14Å; L8-I12 HydrophobicContact CD2-CB 3.96Å; L8-I12 HydrophobicContact CD2-CG2 3.57Å; L8-I12 HydrophobicContact CG-CB 3.91Å; L8-I12 HydrophobicContact CG-CD1 4.3Å; L8-I12 HydrophobicContact CG-CG2 3.96Å; L8-I13 HydrophobicContact CB-CD1 4.36Å; L8-I13 HydrophobicContact CB-CG1 4.19Å; L8-I13 HydrophobicContact CD2-CG1 3.88Å; L8-I13 HydrophobicContact CG-CG1 4.3Å; L8-A36 HydrophobicContact CD1-CB 4.38Å; L8-A36 HydrophobicContact CD2-CB 3.75Å; L8-R37 HydrophobicContact CD1-CG 3.69Å
9P92Very high77.6Confident44 Ų4494.5 Ų94.529%0.28649%0.493SS..PPolyproline II helixtrans-51.3136.2177.6-29.434.2000111.9R11 I12 I13P9-R11 PolarHBondContact O-N 3.08Å; P9-I12 HydrophobicContact CB-CG1 4.45Å; P9-I12 HydrophobicContact CG-CD1 4.28Å; P9-I12 PolarHBondContact O-N 3.28Å; P9-I13 PolarHBondContact O-N 3.14Å
10R94.3Very high78.3Confident188 Ų18895.2 Ų95.271%0.70950%0.495SS*.Hα-helixtrans-52.2-29.9-179.1-170.8177.7-174.2-170.71112.9L8 K14L8-R10 PolarHBondContact O-N 3.2Å; R10-K14 HydrophobicContact CG-CD 4.43Å; R10-K14 WeakPolarHBondContact O-CB 3.35Å; R10-K14 WeakPolarHBondContact O-CG 3.34Å; R10-K14 PolarHBondContact O-N 3.23Å; R10-K14 VanDerWaalsContact O-N 3.08Å
11R95.6Very high79Confident78 Ų7897.6 Ų97.629%0.29450%0.504SS..Hα-helixtrans-59-50.3174.7-178.667.9-171.5-107.8-21.1111.8P9 K14 E15 Y66 P67 P101 L103 Q104P9-R11 PolarHBondContact O-N 3.08Å; R11-K14 PolarHBondContact O-N 3.2Å; R11-E15 WeakPolarHBondContact CG-OE1 3.42Å; R11-E15 IonicContact CZ-OE1 2.65Å; R11-E15 VanDerWaalsContact CZ-OE1 3.26Å; R11-E15 IonicContact NE-OE1 2.87Å; R11-E15 PolarHBondContact NE-OE1 3.39Å; R11-E15 IonicContact NH2-OE1 2.86Å; R11-E15 PolarHBondContact NH2-OE1 3.43Å; R11-E15 WeakPolarHBondContact O-CB 3.37Å; R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 2.82Å; R11-Y66 HydrophobicContact CG-CE1 4.3Å; R11-P67 HydrophobicContact CG-CG 4.38Å; R11-P101 PolarHBondContact NH1-O 3.25Å; R11-P101 VanDerWaalsContact NH1-O 3.1Å; R11-P101 PolarHBondContact NH2-O 2.71Å; R11-L103 PolarHBondContact NH2-O 3.12Å; R11-Q104 VanDerWaalsContact NH2-CG 3.27Å
12I96.3Very high81.8Confident0 Ų091.8 Ų91.80%047%0.474CS..Hα-helixtrans-65.4-43.2-178-58.3179.3000110.6L8 P9 K14 E15 T16 R37 L62 Y66L8-I12 HydrophobicContact CD1-CB 4.32Å; L8-I12 HydrophobicContact CD1-CD1 3.86Å; L8-I12 HydrophobicContact CD1-CG2 4.14Å; L8-I12 HydrophobicContact CD2-CB 3.96Å; L8-I12 HydrophobicContact CD2-CG2 3.57Å; L8-I12 HydrophobicContact CG-CB 3.91Å; L8-I12 HydrophobicContact CG-CD1 4.3Å; L8-I12 HydrophobicContact CG-CG2 3.96Å; P9-I12 HydrophobicContact CB-CG1 4.45Å; P9-I12 HydrophobicContact CG-CD1 4.28Å; P9-I12 PolarHBondContact O-N 3.28Å; I12-K14 PolarHBondContact O-N 2.79Å; I12-E15 PolarHBondContact O-N 3.07Å; I12-T16 WeakPolarHBondContact O-CB 3.45Å; I12-T16 PolarHBondContact O-N 3Å; I12-T16 PolarHBondContact O-OG1 3.29Å; I12-R37 HydrophobicContact CD1-CG 4.33Å; I12-L62 HydrophobicContact CB-CD1 4.29Å; I12-L62 HydrophobicContact CD1-CB 4.27Å; I12-L62 HydrophobicContact CD1-CD1 3.78Å; I12-L62 HydrophobicContact CG1-CD1 3.85Å; I12-L62 HydrophobicContact CG2-CD1 3.55Å; I12-Y66 HydrophobicContact CD1-CD1 4.07Å; I12-Y66 HydrophobicContact CG1-CD1 3.74Å; I12-Y66 HydrophobicContact CG1-CE1 4.05Å
13I95.1Very high84.5Confident74 Ų7490.7 Ų90.738%0.37946%0.464SS..Hα-helixtrans-57.8-50.3177.1-60.6172.8000110.3L8 P9 T16 Q17L8-I13 HydrophobicContact CB-CD1 4.36Å; L8-I13 HydrophobicContact CB-CG1 4.19Å; L8-I13 HydrophobicContact CD2-CG1 3.88Å; L8-I13 HydrophobicContact CG-CG1 4.3Å; P9-I13 PolarHBondContact O-N 3.14Å; I13-T16 PolarHBondContact O-N 2.87Å; I13-Q17 WeakPolarHBondContact O-CB 3.4Å; I13-Q17 VanDerWaalsContact O-CG 3.29Å; I13-Q17 WeakPolarHBondContact O-CG 3.15Å; I13-Q17 PolarHBondContact O-N 2.94Å
14K96.3Very high86.9Confident91 Ų9185.6 Ų85.640%0.39643%0.428SS..Hα-helixtrans-64.6-42.2-179.6-76.4-173.5175.2-171.40112.8R10 R11 I12 R18R10-K14 HydrophobicContact CG-CD 4.43Å; R10-K14 WeakPolarHBondContact O-CB 3.35Å; R10-K14 WeakPolarHBondContact O-CG 3.34Å; R10-K14 PolarHBondContact O-N 3.23Å; R10-K14 VanDerWaalsContact O-N 3.08Å; R11-K14 PolarHBondContact O-N 3.2Å; I12-K14 PolarHBondContact O-N 2.79Å; K14-R18 WeakPolarHBondContact O-CB 3.41Å; K14-R18 VanDerWaalsContact O-CG 3.3Å; K14-R18 WeakPolarHBondContact O-CG 3.18Å; K14-R18 PolarHBondContact O-N 3.4Å
15E96.4Very high89.3Confident8 Ų885 Ų854%0.03743%0.431CS..Hα-helixtrans-64.9-42177.1-75.2-166.6-123.700111.9R11 I12 R18 L19 Y66 Q104 I105R11-E15 WeakPolarHBondContact CG-OE1 3.42Å; R11-E15 IonicContact CZ-OE1 2.65Å; R11-E15 VanDerWaalsContact CZ-OE1 3.26Å; R11-E15 IonicContact NE-OE1 2.87Å; R11-E15 PolarHBondContact NE-OE1 3.39Å; R11-E15 IonicContact NH2-OE1 2.86Å; R11-E15 PolarHBondContact NH2-OE1 3.43Å; R11-E15 WeakPolarHBondContact O-CB 3.37Å; R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 2.82Å; I12-E15 PolarHBondContact O-N 3.07Å; E15-R18 PolarHBondContact O-N 3.04Å; E15-L19 WeakPolarHBondContact O-CB 3.35Å; E15-L19 PolarHBondContact O-N 2.79Å; E15-Y66 VanDerWaalsContact CD-OH 3.24Å; E15-Y66 PolarHBondContact OE1-OH 2.92Å; E15-Y66 PolarHBondContact OE2-OH 3.07Å; E15-Y66 VanDerWaalsContact OE2-OH 3.09Å; E15-Q104 HydrophobicContact CG-CG 4.31Å; E15-Q104 WeakPolarHBondContact OE2-CA 3.49Å; E15-Q104 WeakPolarHBondContact OE2-CB 3.48Å; E15-I105 HydrophobicContact CB-CD1 4.05Å; E15-I105 WeakPolarHBondContact OE2-CG1 3.42Å; E15-I105 PolarHBondContact OE2-N 3.01Å
16T95.6Very high91.8Very high21 Ų2179 Ų7913%0.12941%0.409CS..Hα-helixtrans-63-47.3176.9-53.80000110.9I12 I13 R18 L19 M20 P31 F39I12-T16 WeakPolarHBondContact O-CB 3.45Å; I12-T16 PolarHBondContact O-N 3Å; I12-T16 PolarHBondContact O-OG1 3.29Å; I13-T16 PolarHBondContact O-N 2.87Å; T16-R18 VanDerWaalsContact C-N 3.32Å; T16-R18 PolarHBondContact O-N 2.93Å; T16-L19 PolarHBondContact O-N 2.69Å; T16-M20 VanDerWaalsContact O-CG 3.31Å; T16-M20 WeakPolarHBondContact O-CG 3.46Å; T16-M20 PolarHBondContact O-N 2.91Å; T16-P31 HydrophobicContact CG2-CG 3.95Å; T16-F39 HydrophobicContact CG2-CE1 4.11Å; T16-F39 HydrophobicContact CG2-CZ 4.39Å; T16-F39 WeakPolarHBondContact OG1-CZ 3.46Å
17Q95.2Very high93.5Very high107 Ų10773.9 Ų73.950%0.538%0.377SS..Hα-helixtrans-57.8-44.6176.5-75.6174-22.700111.9I13 M20 Q21I13-Q17 WeakPolarHBondContact O-CB 3.4Å; I13-Q17 VanDerWaalsContact O-CG 3.29Å; I13-Q17 WeakPolarHBondContact O-CG 3.15Å; I13-Q17 PolarHBondContact O-N 2.94Å; Q17-M20 PolarHBondContact O-N 3.01Å; Q17-Q21 WeakPolarHBondContact O-CB 3.41Å; Q17-Q21 VanDerWaalsContact O-CG 3.25Å; Q17-Q21 WeakPolarHBondContact O-CG 3.45Å; Q17-Q21 PolarHBondContact O-N 3.26Å
18R94.9Very high94.2Very high135 Ų13571.8 Ų71.851%0.50936%0.362SS..Hα-helixtrans-63.4-42.6176.2-74.7174.1176.8-170-5112.2K14 E15 T16 M20 Q21 E22K14-R18 WeakPolarHBondContact O-CB 3.41Å; K14-R18 VanDerWaalsContact O-CG 3.3Å; K14-R18 WeakPolarHBondContact O-CG 3.18Å; K14-R18 PolarHBondContact O-N 3.4Å; E15-R18 PolarHBondContact O-N 3.04Å; T16-R18 VanDerWaalsContact C-N 3.32Å; T16-R18 PolarHBondContact O-N 2.93Å; R18-M20 VanDerWaalsContact C-N 3.27Å; R18-M20 PolarHBondContact O-N 2.76Å; R18-Q21 PolarHBondContact O-N 3.09Å; R18-E22 PolarHBondContact O-N 3.36Å
19L93.8Very high94.6Very high15 Ų1570 Ų708%0.07936%0.355CS..Hα-helixtrans-63-34.3178.6-168.462.5000112.3E15 T16 E22 V24 A29 I105 R106 L109E15-L19 WeakPolarHBondContact O-CB 3.35Å; E15-L19 PolarHBondContact O-N 2.79Å; T16-L19 PolarHBondContact O-N 2.69Å; L19-E22 CarbonylContact O-C 3.33Å; L19-V24 HydrophobicContact CD1-CG2 4.26Å; L19-A29 HydrophobicContact CD2-CB 3.63Å; L19-A29 HydrophobicContact CG-CB 4.44Å; L19-I105 HydrophobicContact CD2-CG2 3.94Å; L19-R106 HydrophobicContact CD1-CB 4.42Å; L19-L109 HydrophobicContact CD1-CD1 4.22Å; L19-L109 HydrophobicContact CD2-CD1 4.1Å
20M91.9Very high94.8Very high108 Ų10871 Ų7153%0.53236%0.36SS..Hα-helixtrans-77.2-35.3175.6-63.2-60.1-67.800112.9T16 Q17 R18T16-M20 VanDerWaalsContact O-CG 3.31Å; T16-M20 WeakPolarHBondContact O-CG 3.46Å; T16-M20 PolarHBondContact O-N 2.91Å; Q17-M20 PolarHBondContact O-N 3.01Å; R18-M20 VanDerWaalsContact C-N 3.27Å; R18-M20 PolarHBondContact O-N 2.76Å
21Q94Very high94.8Very high147 Ų14764 Ų6469%0.68734%0.338SS*.Hα-helixtrans-75.8-34.8178-73.7172.46.800112.4Q17 R18 P23Q17-Q21 WeakPolarHBondContact O-CB 3.41Å; Q17-Q21 VanDerWaalsContact O-CG 3.25Å; Q17-Q21 WeakPolarHBondContact O-CG 3.45Å; Q17-Q21 PolarHBondContact O-N 3.26Å; R18-Q21 PolarHBondContact O-N 3.09Å; Q21-P23 WeakPolarHBondContact O-CD 3.32Å
22E92.8Very high94.9Very high125 Ų12562.4 Ų62.458%0.58434%0.335SS*.SBendtrans-125.875-179.3-63.8174.9-159.600110R18 L19R18-E22 PolarHBondContact O-N 3.36Å; L19-E22 CarbonylContact O-C 3.33Å
23P89.6Confident94.8Very high89 Ų8971.7 Ų71.758%0.57838%0.379SS*.PPolyproline II helixtrans-56.5144177.3-23.933.9000111.8Q21Q21-P23 WeakPolarHBondContact O-CD 3.32Å
24V92.4Very high94.7Very high7 Ų776.3 Ų76.34%0.04240%0.396CS..PPolyproline II helixtrans-82.9128174.4178.30000108.8L19 G26 I27 R106 L110L19-V24 HydrophobicContact CD1-CG2 4.26Å; V24-G26 PolarHBondContact O-N 3.36Å; V24-I27 HydrophobicContact CB-CB 4.07Å; V24-I27 HydrophobicContact CB-CD1 4.3Å; V24-I27 HydrophobicContact CB-CG1 4.37Å; V24-I27 HydrophobicContact CG1-CB 4.23Å; V24-I27 HydrophobicContact CG1-CD1 3.69Å; V24-I27 HydrophobicContact CG1-CG1 3.97Å; V24-I27 PolarHBondContact O-N 2.96Å; V24-R106 HydrophobicContact CG2-CG 3.65Å; V24-L110 HydrophobicContact CG1-CD2 3.47Å; V24-L110 VanDerWaalsContact CG1-CD2 3.47Å; V24-L110 HydrophobicContact CG1-CG 4.07Å
25P94.6Very high94.7Very high106 Ų10674.7 Ų74.769%0.68839%0.392SS*.THydrogen-bonded Turntrans-53.4127.7177.6-28.636.3000112.6I27 Q113P25-I27 VanDerWaalsContact C-N 3.25Å; P25-I27 PolarHBondContact O-N 3.49Å; P25-Q113 PolarHBondContact O-NE2 3.18Å; P25-Q113 VanDerWaalsContact O-NE2 3.15Å
26G96.1Very high94.6Very high42 Ų4276.5 Ų76.543%0.43341%0.408SS..THydrogen-bonded Turntrans73.19.1-177.300000114.9V24 A44V24-G26 PolarHBondContact O-N 3.36Å; G26-A44 WeakPolarHBondContact O-CB 3.48Å; G26-A44 PolarHBondContact O-N 2.84Å
27I97.3Very high94.7Very high15 Ų1577.4 Ų77.48%0.07741%0.409CS..EExtended strand (participates in β ladder)trans-130.7127.5175.4-48.5-179.3000110.6V24 P25 V41 V42 V43 L109 Q113V24-I27 HydrophobicContact CB-CB 4.07Å; V24-I27 HydrophobicContact CB-CD1 4.3Å; V24-I27 HydrophobicContact CB-CG1 4.37Å; V24-I27 HydrophobicContact CG1-CB 4.23Å; V24-I27 HydrophobicContact CG1-CD1 3.69Å; V24-I27 HydrophobicContact CG1-CG1 3.97Å; V24-I27 PolarHBondContact O-N 2.96Å; P25-I27 VanDerWaalsContact C-N 3.25Å; P25-I27 PolarHBondContact O-N 3.49Å; I27-V41 HydrophobicContact CG2-CG1 4.17Å; I27-V42 CarbonylContact C-O 3.56Å; I27-V42 WeakPolarHBondContact CA-O 3.46Å; I27-V43 HydrophobicContact CG1-CG1 4.34Å; I27-V43 HydrophobicContact CG1-CG2 4.33Å; I27-V43 HydrophobicContact CG2-CG2 4.1Å; I27-L109 HydrophobicContact CD1-CB 3.94Å; I27-L109 WeakPolarHBondContact CD1-O 3.38Å; I27-L109 HydrophobicContact CG2-CB 4.3Å; I27-L109 HydrophobicContact CG2-CD1 4.15Å; I27-L109 HydrophobicContact CG2-CD2 4.36Å; I27-Q113 HydrophobicContact CD1-CB 3.88Å; I27-Q113 HydrophobicContact CD1-CG 4.48Å
28S95.7Very high94.8Very high63 Ų6375 Ų7544%0.44140%0.396SS..EExtended strand (participates in β ladder)trans-107.3136.3165.1-175.80000109.1V41 V42S28-V41 CarbonylContact O-C 3.6Å; S28-V41 VanDerWaalsContact O-CA 3.23Å; S28-V41 WeakPolarHBondContact O-CA 3.29Å; S28-V42 PolarHBondContact N-O 3.12Å; S28-V42 PolarHBondContact O-N 3.13Å
29A96.7Very high95Very high8 Ų868.7 Ų68.77%0.06637%0.372CS..EExtended strand (participates in β ladder)trans-145.5105177.500000109.2L19 H40 V41 L109L19-A29 HydrophobicContact CD2-CB 3.63Å; L19-A29 HydrophobicContact CG-CB 4.44Å; A29-H40 WeakPolarHBondContact CA-O 3.33Å; A29-V41 HydrophobicContact CB-CG2 3.96Å; A29-L109 HydrophobicContact CB-CD1 3.61Å
30V95.4Very high95.1Very high65 Ų6572.3 Ų72.339%0.39439%0.388SS..EExtended strand (participates in β ladder)trans-116.1127.5-172.4-178.10000109.2F39 H40V30-F39 CarbonylContact O-C 3.33Å; V30-F39 WeakPolarHBondContact O-CA 3.45Å; V30-H40 PolarHBondContact N-O 3.38Å; V30-H40 PolarHBondContact O-N 2.94Å
31P96Very high95.4Very high39 Ų3967.3 Ų67.325%0.25336%0.364SS..EExtended strand (participates in β ladder)trans-64.1143.7176.228.4-35.4000111T16 Y38 F39T16-P31 HydrophobicContact CG2-CG 3.95Å; P31-Y38 CarbonylContact C-O 3.53Å; P31-Y38 WeakPolarHBondContact CA-O 3.29Å; P31-F39 HydrophobicContact CB-CD1 4.26Å; P31-F39 HydrophobicContact CB-CE1 4.03Å; P31-F39 HydrophobicContact CB-CZ 4.3Å
32D96.7Very high95.6Very high45 Ų4562.7 Ų62.724%0.24135%0.346CS..EExtended strand (participates in β ladder)trans-67.3137.6173.9-175.5-92000111K34 N35 Y38 H40D32-K34 PolarHBondContact O-N 2.92Å; D32-K34 WeakPolarHBondContact OD1-CA 3.36Å; D32-K34 WeakPolarHBondContact OD1-CB 3.38Å; D32-K34 PolarHBondContact OD1-N 2.87Å; D32-N35 CarbonylContact O-C 3.58Å; D32-N35 PolarHBondContact O-N 2.96Å; D32-N35 PolarHBondContact OD1-N 3.31Å; D32-N35 VanDerWaalsContact OD1-N 3.14Å; D32-Y38 HydrophobicContact CB-CD1 3.89Å; D32-Y38 HydrophobicContact CB-CG 4.43Å; D32-Y38 PolarHBondContact N-O 3.4Å; D32-H40 IonicContact OD2-CD2 2.67Å; D32-H40 IonicContact OD2-CE1 3.52Å; D32-H40 IonicContact OD2-NE2 3.46Å; D32-H40 PolarHBondContact OD2-NE2 2.78Å
33E93.6Very high95.8Very high196 Ų19656.8 Ų56.892%0.91632%0.318SS*.THydrogen-bonded Turntrans-61.3-28.7-176.9-62.9-178.3172.300113.2
34K94.2Very high96.1Very high171 Ų17153.9 Ų53.974%0.74330%0.302SS*.THydrogen-bonded Turntrans-99.5-15.2-177.6-59.8178.2-177.41750112.4D32D32-K34 PolarHBondContact O-N 2.92Å; D32-K34 WeakPolarHBondContact OD1-CA 3.36Å; D32-K34 WeakPolarHBondContact OD1-CB 3.38Å; D32-K34 PolarHBondContact OD1-N 2.87Å
35N95.1Very high96.3Very high57 Ų5754 Ų5431%0.30531%0.305SS..EExtended strand (participates in β ladder)trans-147.295.7-179-175.2-0.5000111.8D32 R37 Y38D32-N35 CarbonylContact O-C 3.58Å; D32-N35 PolarHBondContact O-N 2.96Å; D32-N35 PolarHBondContact OD1-N 3.31Å; D32-N35 VanDerWaalsContact OD1-N 3.14Å; N35-R37 PolarHBondContact O-N 2.81Å; N35-R37 WeakPolarHBondContact OD1-CB 3.15Å; N35-R37 PolarHBondContact OD1-N 2.72Å; N35-R37 VanDerWaalsContact OD1-N 3.08Å; N35-Y38 PolarHBondContact O-N 2.93Å
36A94.9Very high96.3Very high45 Ų4549.9 Ų49.937%0.37228%0.278SS..EExtended strand (participates in β ladder)trans-65.3-2.4179.300000115.2L8L8-A36 HydrophobicContact CD1-CB 4.38Å; L8-A36 HydrophobicContact CD2-CB 3.75Å
37R97.3Very high96.2Very high41 Ų4156.2 Ų56.216%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-91.9-12.3169.5-67.1178.5174.4-90.26112.9L8 I12 N35 F61 L62 P63L8-R37 HydrophobicContact CD1-CG 3.69Å; I12-R37 HydrophobicContact CD1-CG 4.33Å; N35-R37 PolarHBondContact O-N 2.81Å; N35-R37 WeakPolarHBondContact OD1-CB 3.15Å; N35-R37 PolarHBondContact OD1-N 2.72Å; N35-R37 VanDerWaalsContact OD1-N 3.08Å; R37-F61 HydrophobicContact CB-CD2 4.45Å; R37-F61 HydrophobicContact CB-CE2 4.06Å; R37-F61 CarbonylContact O-C 3.52Å; R37-F61 WeakPolarHBondContact O-CA 3.26Å; R37-L62 HydrophobicContact CB-CB 4.15Å; R37-L62 HydrophobicContact CG-CB 4.49Å; R37-L62 PolarHBondContact O-N 2.83Å; R37-P63 PolarHBondContact NH1-O 2.82Å
38Y98Very high95.9Very high57 Ų5759 Ų5922%0.22433%0.328CS..EExtended strand (participates in β ladder)trans-103.7137.7178.6-172.7-78.7000109.6P31 D32 N35 H40 E59 L60 F61P31-Y38 CarbonylContact C-O 3.53Å; P31-Y38 WeakPolarHBondContact CA-O 3.29Å; D32-Y38 HydrophobicContact CB-CD1 3.89Å; D32-Y38 HydrophobicContact CB-CG 4.43Å; D32-Y38 PolarHBondContact N-O 3.4Å; N35-Y38 PolarHBondContact O-N 2.93Å; Y38-H40 AromaticContact CE1-CE1 3.56Å; Y38-H40 AromaticContact CE1-ND1 3.73Å; Y38-H40 AromaticContact CE1-NE2 3.99Å; Y38-E59 HydrophobicContact CE1-CB 4.42Å; Y38-E59 HydrophobicContact CE2-CB 3.95Å; Y38-E59 WeakPolarHBondContact OH-CB 3.23Å; Y38-E59 PolarHBondContact OH-OE2 2.91Å; Y38-L60 CarbonylContact C-O 3.54Å; Y38-L60 WeakPolarHBondContact CA-O 3.41Å; Y38-F61 HydrophobicContact CD2-CB 4.45Å; Y38-F61 HydrophobicContact CD2-CD2 4.24Å
39F98.1Very high95.7Very high1 Ų156.6 Ų56.60%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-125.8132.2-180-67.8-108.1000110.1T16 V30 P31 V41 L60 L62 I105T16-F39 HydrophobicContact CG2-CE1 4.11Å; T16-F39 HydrophobicContact CG2-CZ 4.39Å; T16-F39 WeakPolarHBondContact OG1-CZ 3.46Å; V30-F39 CarbonylContact O-C 3.33Å; V30-F39 WeakPolarHBondContact O-CA 3.45Å; P31-F39 HydrophobicContact CB-CD1 4.26Å; P31-F39 HydrophobicContact CB-CE1 4.03Å; P31-F39 HydrophobicContact CB-CZ 4.3Å; F39-V41 HydrophobicContact CB-CG2 4.08Å; F39-L60 HydrophobicContact CB-CB 4.2Å; F39-L60 HydrophobicContact CB-CD2 4.3Å; F39-L60 HydrophobicContact CD2-CD2 3.73Å; F39-L60 HydrophobicContact CE2-CD2 4.42Å; F39-L60 HydrophobicContact CG-CD2 4.2Å; F39-L60 PolarHBondContact N-O 2.91Å; F39-L60 PolarHBondContact O-N 3.12Å; F39-L60 VanDerWaalsContact O-N 3.09Å; F39-L62 HydrophobicContact CE2-CD1 3.65Å; F39-L62 HydrophobicContact CE2-CG 4.08Å; F39-L62 HydrophobicContact CZ-CD1 4.34Å; F39-I105 HydrophobicContact CE2-CD1 4.27Å; F39-I105 HydrophobicContact CZ-CD1 3.95Å
40H97.6Very high95.3Very high91 Ų9157.7 Ų57.742%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-84114.6165.9-60.3-76.1000108A29 V30 D32 Y38A29-H40 WeakPolarHBondContact CA-O 3.33Å; V30-H40 PolarHBondContact N-O 3.38Å; V30-H40 PolarHBondContact O-N 2.94Å; D32-H40 IonicContact OD2-CD2 2.67Å; D32-H40 IonicContact OD2-CE1 3.52Å; D32-H40 IonicContact OD2-NE2 3.46Å; D32-H40 PolarHBondContact OD2-NE2 2.78Å; Y38-H40 AromaticContact CE1-CE1 3.56Å; Y38-H40 AromaticContact CE1-ND1 3.73Å; Y38-H40 AromaticContact CE1-NE2 3.99Å
41V98.1Very high95.2Very high3 Ų354.8 Ų54.82%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-114.6137.4-174.3179.10000109.9I27 S28 A29 F39 V43 K57 L58 L60 L109I27-V41 HydrophobicContact CG2-CG1 4.17Å; S28-V41 CarbonylContact O-C 3.6Å; S28-V41 VanDerWaalsContact O-CA 3.23Å; S28-V41 WeakPolarHBondContact O-CA 3.29Å; A29-V41 HydrophobicContact CB-CG2 3.96Å; F39-V41 HydrophobicContact CB-CG2 4.08Å; V41-V43 HydrophobicContact CG1-CG2 3.98Å; V41-K57 CarbonylContact O-C 3.54Å; V41-K57 WeakPolarHBondContact O-CA 3.42Å; V41-L58 HydrophobicContact CB-CB 4.02Å; V41-L58 HydrophobicContact CG1-CB 4.27Å; V41-L58 PolarHBondContact N-O 3.01Å; V41-L58 PolarHBondContact O-N 2.82Å; V41-L60 HydrophobicContact CG2-CB 3.97Å; V41-L109 HydrophobicContact CB-CD2 4.47Å; V41-L109 HydrophobicContact CG1-CD2 3.58Å; V41-L109 HydrophobicContact CG2-CD2 4.05Å
42V97.5Very high95Very high51 Ų5157.7 Ų57.731%0.30931%0.31SS..EExtended strand (participates in β ladder)trans-124.7121.7168-178.40000108.4I27 S28 L55 F56 K57I27-V42 CarbonylContact C-O 3.56Å; I27-V42 WeakPolarHBondContact CA-O 3.46Å; S28-V42 PolarHBondContact N-O 3.12Å; S28-V42 PolarHBondContact O-N 3.13Å; V42-L55 HydrophobicContact CG1-CB 4.34Å; V42-L55 HydrophobicContact CG1-CD2 4.32Å; V42-F56 CarbonylContact C-O 3.53Å; V42-F56 VanDerWaalsContact CA-O 3.29Å; V42-F56 WeakPolarHBondContact CA-O 3.44Å; V42-K57 HydrophobicContact CG2-CG 4.41Å
43V97.4Very high94.8Very high0 Ų059 Ų590%034%0.335CS..EExtended strand (participates in β ladder)trans-109.6125.1174.7179.90000108.3I27 V41 F56 L58 Q113 L116I27-V43 HydrophobicContact CG1-CG1 4.34Å; I27-V43 HydrophobicContact CG1-CG2 4.33Å; I27-V43 HydrophobicContact CG2-CG2 4.1Å; V41-V43 HydrophobicContact CG1-CG2 3.98Å; V43-F56 PolarHBondContact N-O 3.27Å; V43-F56 WeakPolarHBondContact O-CD2 3.41Å; V43-F56 PolarHBondContact O-N 2.65Å; V43-L58 HydrophobicContact CB-CD1 4.22Å; V43-L58 HydrophobicContact CG2-CD1 3.94Å; V43-Q113 HydrophobicContact CG1-CB 4.05Å; V43-Q113 HydrophobicContact CG1-CG 4.12Å; V43-L116 HydrophobicContact CG1-CD1 3.81Å
44A96.1Very high94.8Very high29 Ų2949.9 Ų49.924%0.2429%0.293CS..EExtended strand (participates in β ladder)trans-77.8137.6168.900000109.7G26 P46 G54 L55G26-A44 WeakPolarHBondContact O-CB 3.48Å; G26-A44 PolarHBondContact O-N 2.84Å; A44-P46 WeakPolarHBondContact O-CD 3.46Å; A44-G54 WeakPolarHBondContact CA-O 3.39Å; A44-L55 HydrophobicContact CB-CD2 4.01Å
45G95.1Very high94.8Very high10 Ų1047.4 Ų47.410%0.10329%0.287CS..PPolyproline II helixtrans-57.412317100000110.9F51 G54G45-F51 VanDerWaalsContact CA-O 3.32Å; G45-F51 WeakPolarHBondContact CA-O 3.31Å; G45-G54 PolarHBondContact N-O 2.64Å
46P95.4Very high94.9Very high19 Ų1944.8 Ų44.812%0.12327%0.273CS..PPolyproline II helixtrans-60.7148-176.9-26.236.5000112.6A44 S49 E52 Q113 L116 S117A44-P46 WeakPolarHBondContact O-CD 3.46Å; P46-S49 WeakPolarHBondContact CD-OG 3.49Å; P46-S49 VanDerWaalsContact O-CB 3.23Å; P46-S49 WeakPolarHBondContact O-CB 3.33Å; P46-S49 PolarHBondContact O-N 2.83Å; P46-S49 VanDerWaalsContact O-N 3.12Å; P46-S49 PolarHBondContact O-OG 2.81Å; P46-E52 WeakPolarHBondContact O-CB 3.25Å; P46-Q113 HydrophobicContact CG-CG 3.65Å; P46-L116 HydrophobicContact CG-CB 4.27Å; P46-S117 VanDerWaalsContact CB-OG 3.24Å; P46-S117 WeakPolarHBondContact CB-OG 3.4Å; P46-S117 VanDerWaalsContact CG-OG 3.25Å; P46-S117 WeakPolarHBondContact CG-OG 3.43Å
47Q93.5Very high95Very high175 Ų17549.2 Ų49.282%0.81828%0.284SS*.THydrogen-bonded Turntrans-61.9139172.9-172.1178.119.500110.7S49Q47-S49 PolarHBondContact O-N 2.84Å
48G91Very high95Very high72 Ų7247.5 Ų47.574%0.74228%0.278SS*.THydrogen-bonded Turntrans74.22.3-175.100000113.9E52G48-E52 PolarHBondContact N-OE2 3.34Å
49S91.8Very high95Very high13 Ų1346.8 Ų46.89%0.09128%0.277CS..SBendtrans-92156.4176.780.30000111.8P46 Q47 F51 E52P46-S49 WeakPolarHBondContact CD-OG 3.49Å; P46-S49 VanDerWaalsContact O-CB 3.23Å; P46-S49 WeakPolarHBondContact O-CB 3.33Å; P46-S49 PolarHBondContact O-N 2.83Å; P46-S49 VanDerWaalsContact O-N 3.12Å; P46-S49 PolarHBondContact O-OG 2.81Å; Q47-S49 PolarHBondContact O-N 2.84Å; S49-F51 PolarHBondContact O-N 3.37Å; S49-F51 PolarHBondContact OG-N 3.35Å; S49-F51 VanDerWaalsContact OG-N 3.16Å; S49-E52 WeakPolarHBondContact O-CB 3.45Å; S49-E52 PolarHBondContact O-N 3.19Å; S49-E52 PolarHBondContact OG-N 3.38Å
50P88.9Confident95.1Very high32 Ų3246.8 Ų46.821%0.20828%0.277CS..THydrogen-bonded Turntrans-43.8-21.5162.6-38.543.8000116.8W133 L141P50-W133 HydrophobicContact CB-CH2 3.86Å; P50-W133 HydrophobicContact CB-CZ2 4.43Å; P50-W133 HydrophobicContact CG-CH2 3.62Å; P50-W133 HydrophobicContact CG-CZ3 4.28Å; P50-L141 HydrophobicContact CB-CD2 3.28Å; P50-L141 HydrophobicContact CG-CD2 3.41Å; P50-L141 VanDerWaalsContact CG-CD2 3.41Å
51F93.1Very high95.1Very high3 Ų345.6 Ų45.61%0.01327%0.27CS..THydrogen-bonded Turntrans-111.74.4-172.6-54.6-69.4000113G45 S49 G53 G54 F56 I79 Y80 H81 L116 P119 W133G45-F51 VanDerWaalsContact CA-O 3.32Å; G45-F51 WeakPolarHBondContact CA-O 3.31Å; S49-F51 PolarHBondContact O-N 3.37Å; S49-F51 PolarHBondContact OG-N 3.35Å; S49-F51 VanDerWaalsContact OG-N 3.16Å; F51-G53 PolarHBondContact O-N 3.01Å; F51-G54 WeakPolarHBondContact O-CA 3.38Å; F51-G54 PolarHBondContact O-N 2.95Å; F51-F56 HydrophobicContact CB-CE2 3.8Å; F51-F56 HydrophobicContact CB-CZ 3.75Å; F51-F56 AromaticContact CD1-CZ 3.99Å; F51-F56 HydrophobicContact CD1-CZ 3.99Å; F51-F56 HydrophobicContact CG-CZ 4.15Å; F51-I79 HydrophobicContact CD1-CD1 3.77Å; F51-I79 HydrophobicContact CD1-CG1 4.02Å; F51-I79 HydrophobicContact CE1-CD1 3.67Å; F51-I79 HydrophobicContact CE1-CG1 3.71Å; F51-I79 HydrophobicContact CG-CD1 4.35Å; F51-I79 HydrophobicContact CZ-CD1 4.19Å; F51-Y80 WeakPolarHBondContact CE1-O 3.48Å; F51-H81 AromaticContact CE2-CD2 3.42Å; F51-H81 VanDerWaalsContact CE2-CD2 3.42Å; F51-H81 WeakPolarHBondContact CE2-CD2 3.47Å; F51-H81 HydrophobicContact CZ-CB 4.1Å; F51-H81 AromaticContact CZ-CD2 3.31Å; F51-H81 WeakPolarHBondContact CZ-CD2 3.41Å; F51-L116 HydrophobicContact CD2-CB 3.88Å; F51-L116 HydrophobicContact CD2-CD2 3.95Å; F51-L116 HydrophobicContact CD2-CG 4.5Å; F51-L116 WeakPolarHBondContact CD2-O 3.23Å; F51-L116 HydrophobicContact CE2-CB 4.48Å; F51-L116 HydrophobicContact CE2-CD2 4.18Å; F51-L116 WeakPolarHBondContact CE2-O 3.41Å; F51-L116 HydrophobicContact CG-CD2 4.31Å; F51-P119 HydrophobicContact CE2-CG 3.83Å; F51-P119 HydrophobicContact CZ-CG 4.35Å; F51-W133 HydrophobicContact CZ-CZ2 4.28Å
52E92.6Very high95.1Very high100 Ų10045.5 Ų45.547%0.46727%0.27SS..THydrogen-bonded Turntrans-48.4135.4179.8-175.5172.7166.800111.5P46 G48 S49 G54P46-E52 WeakPolarHBondContact O-CB 3.25Å; G48-E52 PolarHBondContact N-OE2 3.34Å; S49-E52 WeakPolarHBondContact O-CB 3.45Å; S49-E52 PolarHBondContact O-N 3.19Å; S49-E52 PolarHBondContact OG-N 3.38Å; E52-G54 PolarHBondContact O-N 3.27Å
53G91.3Very high95.1Very high73 Ų7343.5 Ų43.575%0.75326%0.258SS*.THydrogen-bonded Turntrans81.8-11.2-175.700000114.9F51F51-G53 PolarHBondContact O-N 3.01Å
54G92.9Very high95Very high4 Ų450.8 Ų50.84%0.04129%0.292CS..  trans-74.7147173.900000113.8A44 G45 F51 E52A44-G54 WeakPolarHBondContact CA-O 3.39Å; G45-G54 PolarHBondContact N-O 2.64Å; F51-G54 WeakPolarHBondContact O-CA 3.38Å; F51-G54 PolarHBondContact O-N 2.95Å; E52-G54 PolarHBondContact O-N 3.27Å
55L95.1Very high95Very high119 Ų11955 Ų5562%0.62331%0.307SS*.EExtended strand (participates in β ladder)trans-118.7113.6168.1-66.1178.2000110.3V42 A44V42-L55 HydrophobicContact CG1-CB 4.34Å; V42-L55 HydrophobicContact CG1-CD2 4.32Å; A44-L55 HydrophobicContact CB-CD2 4.01Å
56F96.4Very high95.1Very high2 Ų254.9 Ų54.91%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-104.9115.9-174-56.1-83.9000110.6V42 V43 F51 L58 F75 T77 I79 L116 L148V42-F56 CarbonylContact C-O 3.53Å; V42-F56 VanDerWaalsContact CA-O 3.29Å; V42-F56 WeakPolarHBondContact CA-O 3.44Å; V43-F56 PolarHBondContact N-O 3.27Å; V43-F56 WeakPolarHBondContact O-CD2 3.41Å; V43-F56 PolarHBondContact O-N 2.65Å; F51-F56 HydrophobicContact CB-CE2 3.8Å; F51-F56 HydrophobicContact CB-CZ 3.75Å; F51-F56 AromaticContact CD1-CZ 3.99Å; F51-F56 HydrophobicContact CD1-CZ 3.99Å; F51-F56 HydrophobicContact CG-CZ 4.15Å; F56-L58 HydrophobicContact CB-CD1 3.86Å; F56-L58 WeakPolarHBondContact O-CD1 3.33Å; F56-F75 HydrophobicContact CB-CD1 4.08Å; F56-F75 HydrophobicContact CB-CE1 3.67Å; F56-F75 HydrophobicContact CD1-CD1 4.32Å; F56-F75 HydrophobicContact CD1-CE1 4.03Å; F56-F75 AromaticContact CG-CE1 3.94Å; F56-F75 HydrophobicContact CG-CE1 3.94Å; F56-T77 HydrophobicContact CB-CG2 4.45Å; F56-T77 HydrophobicContact CD1-CG2 3.59Å; F56-T77 HydrophobicContact CE1-CG2 4.26Å; F56-T77 HydrophobicContact CG-CG2 4.38Å; F56-I79 HydrophobicContact CD1-CB 4.34Å; F56-I79 HydrophobicContact CD1-CD1 3.86Å; F56-I79 HydrophobicContact CD1-CG1 4.29Å; F56-I79 HydrophobicContact CE1-CB 4.12Å; F56-I79 HydrophobicContact CE1-CD1 3.48Å; F56-I79 VanDerWaalsContact CE1-CD1 3.48Å; F56-I79 HydrophobicContact CE1-CG1 3.71Å; F56-I79 HydrophobicContact CZ-CD1 3.97Å; F56-I79 HydrophobicContact CZ-CG1 4.43Å; F56-L116 HydrophobicContact CD2-CD1 3.94Å; F56-L116 HydrophobicContact CE2-CD1 4.24Å; F56-L148 HydrophobicContact CE1-CD2 3.83Å; F56-L148 HydrophobicContact CE2-CD2 4.45Å; F56-L148 HydrophobicContact CZ-CD2 3.41Å; F56-L148 VanDerWaalsContact CZ-CD2 3.41Å
57K97.6Very high95.1Very high138 Ų13855 Ų5560%0.630%0.304SS*.EExtended strand (participates in β ladder)trans-79.2129.6170.6-63.4-179.6-178.5178.40108.9V41 V42 M76 T77V41-K57 CarbonylContact O-C 3.54Å; V41-K57 WeakPolarHBondContact O-CA 3.42Å; V42-K57 HydrophobicContact CG2-CG 4.41Å; K57-M76 HydrophobicContact CB-CB 4.11Å; K57-M76 WeakPolarHBondContact O-CA 3.39Å; K57-M76 WeakPolarHBondContact O-CB 3.3Å; K57-M76 PolarHBondContact O-N 3.44Å; K57-T77 PolarHBondContact N-OG1 3.28Å; K57-T77 PolarHBondContact O-N 2.89Å
58L98.4Very high95.3Very high5 Ų553.2 Ų53.23%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-127.6155.1173.9-67.177.4000109.4V41 V43 F56 V73 R74 F75 I90 V112V41-L58 HydrophobicContact CB-CB 4.02Å; V41-L58 HydrophobicContact CG1-CB 4.27Å; V41-L58 PolarHBondContact N-O 3.01Å; V41-L58 PolarHBondContact O-N 2.82Å; V43-L58 HydrophobicContact CB-CD1 4.22Å; V43-L58 HydrophobicContact CG2-CD1 3.94Å; F56-L58 HydrophobicContact CB-CD1 3.86Å; F56-L58 WeakPolarHBondContact O-CD1 3.33Å; L58-V73 HydrophobicContact CD2-CG1 3.82Å; L58-R74 CarbonylContact C-O 3.55Å; L58-R74 WeakPolarHBondContact CA-O 3.32Å; L58-R74 WeakPolarHBondContact CB-O 3.45Å; L58-F75 HydrophobicContact CD1-CD1 4.03Å; L58-F75 HydrophobicContact CD1-CE1 3.86Å; L58-F75 HydrophobicContact CD1-CG 4.44Å; L58-F75 HydrophobicContact CD1-CZ 4.11Å; L58-F75 HydrophobicContact CD2-CD2 3.87Å; L58-F75 HydrophobicContact CD2-CE1 4.42Å; L58-F75 HydrophobicContact CD2-CE2 3.62Å; L58-F75 HydrophobicContact CD2-CG 4.36Å; L58-F75 HydrophobicContact CD2-CZ 3.91Å; L58-F75 HydrophobicContact CG-CD1 4.14Å; L58-F75 HydrophobicContact CG-CD2 4.05Å; L58-F75 HydrophobicContact CG-CE1 4.25Å; L58-F75 HydrophobicContact CG-CE2 4.15Å; L58-F75 HydrophobicContact CG-CG 4.03Å; L58-F75 HydrophobicContact CG-CZ 4.25Å; L58-I90 HydrophobicContact CD2-CD1 4.37Å; L58-V112 HydrophobicContact CD2-CG1 3.68Å
59E98.1Very high95.6Very high43 Ų4351.4 Ų51.420%0.20128%0.275CS..EExtended strand (participates in β ladder)trans-104.4139.7162.460.2-178.7-15500109.3Y38 V73 R74 M76Y38-E59 HydrophobicContact CE1-CB 4.42Å; Y38-E59 HydrophobicContact CE2-CB 3.95Å; Y38-E59 WeakPolarHBondContact OH-CB 3.23Å; Y38-E59 PolarHBondContact OH-OE2 2.91Å; E59-V73 WeakPolarHBondContact O-CA 3.47Å; E59-R74 HydrophobicContact CG-CB 3.8Å; E59-R74 PolarHBondContact N-O 2.9Å; E59-R74 PolarHBondContact O-N 2.91Å; E59-R74 IonicContact OE1-CZ 3.65Å; E59-R74 VanDerWaalsContact OE1-CZ 3.24Å; E59-R74 IonicContact OE1-NE 3Å; E59-R74 PolarHBondContact OE1-NE 3.18Å; E59-R74 IonicContact OE1-NH2 3.92Å; E59-R74 PolarHBondContact OE1-NH2 3.32Å; E59-R74 IonicContact OE2-CZ 2.81Å; E59-R74 IonicContact OE2-NE 3.24Å; E59-R74 IonicContact OE2-NH2 3.87Å; E59-R74 PolarHBondContact OE2-NH2 3.08Å; E59-M76 HydrophobicContact CB-CG 4.43Å; E59-M76 HydrophobicContact CB-SD 4.39Å; E59-M76 HydrophobicContact CG-CG 4.39Å; E59-M76 HydrophobicContact CG-SD 3.85Å
60L98.5Very high95.9Very high0 Ų051.7 Ų51.70%028%0.278CS..EExtended strand (participates in β ladder)trans-126.3126.6170.5178.4157.6000108.8Y38 F39 V41 L62 P71 K72 V73 I105 V108 L109Y38-L60 CarbonylContact C-O 3.54Å; Y38-L60 WeakPolarHBondContact CA-O 3.41Å; F39-L60 HydrophobicContact CB-CB 4.2Å; F39-L60 HydrophobicContact CB-CD2 4.3Å; F39-L60 HydrophobicContact CD2-CD2 3.73Å; F39-L60 HydrophobicContact CE2-CD2 4.42Å; F39-L60 HydrophobicContact CG-CD2 4.2Å; F39-L60 PolarHBondContact N-O 2.91Å; F39-L60 PolarHBondContact O-N 3.12Å; F39-L60 VanDerWaalsContact O-N 3.09Å; V41-L60 HydrophobicContact CG2-CB 3.97Å; L60-L62 HydrophobicContact CD2-CD2 3.68Å; L60-L62 HydrophobicContact CD2-CG 4.09Å; L60-P71 HydrophobicContact CD1-CB 4.4Å; L60-P71 HydrophobicContact CD2-CB 4.26Å; L60-P71 HydrophobicContact CG-CB 4.12Å; L60-K72 CarbonylContact C-O 3.49Å; L60-K72 WeakPolarHBondContact CA-O 3.39Å; L60-V73 HydrophobicContact CB-CG2 4.39Å; L60-V73 HydrophobicContact CD1-CG2 4Å; L60-V73 HydrophobicContact CG-CG2 4.04Å; L60-I105 HydrophobicContact CD1-CG2 4.03Å; L60-I105 HydrophobicContact CD2-CG2 4.48Å; L60-V108 HydrophobicContact CD1-CG1 4.38Å; L60-L109 HydrophobicContact CD1-CD2 4.09Å; L60-L109 HydrophobicContact CD1-CG 4.46Å
61F98.3Very high96.3Very high67 Ų6750.4 Ų50.429%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-123.7130.2179.6178.5-101.4000111.3R37 Y38 P63 P71 K72R37-F61 HydrophobicContact CB-CD2 4.45Å; R37-F61 HydrophobicContact CB-CE2 4.06Å; R37-F61 CarbonylContact O-C 3.52Å; R37-F61 WeakPolarHBondContact O-CA 3.26Å; Y38-F61 HydrophobicContact CD2-CB 4.45Å; Y38-F61 HydrophobicContact CD2-CD2 4.24Å; F61-P63 HydrophobicContact CE1-CB 4.45Å; F61-P63 WeakPolarHBondContact O-CD 3.41Å; F61-P71 CarbonylContact O-C 3.6Å; F61-P71 WeakPolarHBondContact O-CA 3.48Å; F61-K72 HydrophobicContact CB-CB 4.42Å; F61-K72 HydrophobicContact CD1-CD 4.4Å; F61-K72 PolarHBondContact N-O 2.67Å; F61-K72 PolarHBondContact O-N 3.37Å
62L98Very high96.6Very high0 Ų056.9 Ų56.90%030%0.298CS..  trans-92.5108.6176.2-55.5-179.6000109.5I12 R37 F39 L60 Y66 P71 I105I12-L62 HydrophobicContact CB-CD1 4.29Å; I12-L62 HydrophobicContact CD1-CB 4.27Å; I12-L62 HydrophobicContact CD1-CD1 3.78Å; I12-L62 HydrophobicContact CG1-CD1 3.85Å; I12-L62 HydrophobicContact CG2-CD1 3.55Å; R37-L62 HydrophobicContact CB-CB 4.15Å; R37-L62 HydrophobicContact CG-CB 4.49Å; R37-L62 PolarHBondContact O-N 2.83Å; F39-L62 HydrophobicContact CE2-CD1 3.65Å; F39-L62 HydrophobicContact CE2-CG 4.08Å; F39-L62 HydrophobicContact CZ-CD1 4.34Å; L60-L62 HydrophobicContact CD2-CD2 3.68Å; L60-L62 HydrophobicContact CD2-CG 4.09Å; L62-Y66 HydrophobicContact CB-CG 4.21Å; L62-Y66 HydrophobicContact CD1-CD1 4.34Å; L62-Y66 HydrophobicContact CD1-CE1 4.42Å; L62-Y66 HydrophobicContact CD2-CD1 4.35Å; L62-Y66 HydrophobicContact CD2-CD2 3.84Å; L62-Y66 HydrophobicContact CD2-CE1 4.37Å; L62-Y66 HydrophobicContact CD2-CE2 3.86Å; L62-Y66 HydrophobicContact CD2-CG 4.1Å; L62-P71 HydrophobicContact CD2-CB 3.99Å; L62-P71 HydrophobicContact CD2-CG 3.83Å; L62-I105 HydrophobicContact CD1-CD1 3.83Å; L62-I105 HydrophobicContact CD2-CD1 4.29Å; L62-I105 HydrophobicContact CD2-CG1 4.11Å
63P97.1Very high96.9Very high9 Ų952.9 Ų52.96%0.05828%0.28CS..  trans-63.4168.4178.330.6-37.3000111.6R37 F61 E65 Y66 A69 A70R37-P63 PolarHBondContact NH1-O 2.82Å; F61-P63 HydrophobicContact CE1-CB 4.45Å; F61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-E65 PolarHBondContact O-N 3.3Å; P63-Y66 VanDerWaalsContact O-CB 3.26Å; P63-Y66 WeakPolarHBondContact O-CB 3.41Å; P63-Y66 PolarHBondContact O-N 2.84Å; P63-Y66 VanDerWaalsContact O-N 3.07Å; P63-A69 HydrophobicContact CG-CB 3.9Å; P63-A70 WeakPolarHBondContact CD-O 3.32Å; P63-A70 WeakPolarHBondContact CG-O 3.35Å
64E95.6Very high97.2Very high153 Ų15353.6 Ų53.672%0.71526%0.26SS*.THydrogen-bonded Turntrans-58.3-38.2-178.2-172.9167.1-177.800111.6Y66E64-Y66 PolarHBondContact O-N 2.81Å
65E96.1Very high97.4Very high118 Ų11853.8 Ų53.855%0.55126%0.26SS*.THydrogen-bonded Turntrans-76-3.2-179.7-53.883.2173.200113.5P63 M68 A69P63-E65 PolarHBondContact O-N 3.3Å; E65-M68 WeakPolarHBondContact O-CA 3.43Å; E65-M68 VanDerWaalsContact O-CB 3.26Å; E65-M68 WeakPolarHBondContact O-CB 3.5Å; E65-M68 PolarHBondContact O-N 2.91Å; E65-A69 HydrophobicContact CB-CB 3.84Å; E65-A69 PolarHBondContact O-N 2.97Å
66Y96.9Very high97.5Very high7 Ų752.4 Ų52.43%0.02725%0.252CS..THydrogen-bonded Turntrans-58.8128.8177.8-176.8-93.3000111.1R11 I12 E15 L62 P63 E64 P71 W99R11-Y66 HydrophobicContact CG-CE1 4.3Å; I12-Y66 HydrophobicContact CD1-CD1 4.07Å; I12-Y66 HydrophobicContact CG1-CD1 3.74Å; I12-Y66 HydrophobicContact CG1-CE1 4.05Å; E15-Y66 VanDerWaalsContact CD-OH 3.24Å; E15-Y66 PolarHBondContact OE1-OH 2.92Å; E15-Y66 PolarHBondContact OE2-OH 3.07Å; E15-Y66 VanDerWaalsContact OE2-OH 3.09Å; L62-Y66 HydrophobicContact CB-CG 4.21Å; L62-Y66 HydrophobicContact CD1-CD1 4.34Å; L62-Y66 HydrophobicContact CD1-CE1 4.42Å; L62-Y66 HydrophobicContact CD2-CD1 4.35Å; L62-Y66 HydrophobicContact CD2-CD2 3.84Å; L62-Y66 HydrophobicContact CD2-CE1 4.37Å; L62-Y66 HydrophobicContact CD2-CE2 3.86Å; L62-Y66 HydrophobicContact CD2-CG 4.1Å; P63-Y66 VanDerWaalsContact O-CB 3.26Å; P63-Y66 WeakPolarHBondContact O-CB 3.41Å; P63-Y66 PolarHBondContact O-N 2.84Å; P63-Y66 VanDerWaalsContact O-N 3.07Å; E64-Y66 PolarHBondContact O-N 2.81Å; Y66-P71 HydrophobicContact CD2-CG 4.06Å; Y66-P71 HydrophobicContact CE2-CG 3.67Å; Y66-W99 HydrophobicContact CD2-CZ2 4.18Å; Y66-W99 AromaticContact CE2-CH2 3.7Å; Y66-W99 HydrophobicContact CE2-CH2 3.7Å; Y66-W99 AromaticContact CE2-CZ2 3.72Å; Y66-W99 HydrophobicContact CE2-CZ2 3.72Å
67P96.7Very high97.4Very high22 Ų2252.9 Ų52.914%0.14326%0.255CS..THydrogen-bonded Turncis-98.3101438.4-36000115.7R11 A69 W99 P101R11-P67 HydrophobicContact CG-CG 4.38Å; P67-A69 VanDerWaalsContact C-N 3.29Å; P67-W99 HydrophobicContact CB-CZ2 4.4Å; P67-W99 PolarHBondContact O-NE1 2.85Å; P67-P101 HydrophobicContact CB-CB 4.28Å; P67-P101 HydrophobicContact CG-CB 4.27Å; P67-P101 WeakPolarHBondContact O-CA 3.41Å; P67-P101 WeakPolarHBondContact O-CB 3.48Å
68M97Very high97.2Very high138 Ų13853.7 Ų53.768%0.6826%0.258SS*.THydrogen-bonded Turntrans-68.5-29.9175.1-57.8-58.8135.100112.3E65 P101E65-M68 WeakPolarHBondContact O-CA 3.43Å; E65-M68 VanDerWaalsContact O-CB 3.26Å; E65-M68 WeakPolarHBondContact O-CB 3.5Å; E65-M68 PolarHBondContact O-N 2.91Å; M68-P101 HydrophobicContact CE-CB 3.99Å; M68-P101 HydrophobicContact CE-CG 4.09Å; M68-P101 HydrophobicContact SD-CB 4.34Å; M68-P101 HydrophobicContact SD-CG 3.77Å
69A97.4Very high97Very high33 Ų3354.3 Ų54.327%0.27326%0.261SS..SBendtrans-107.2148.9167.700000111.7P63 E65 P67 W99P63-A69 HydrophobicContact CG-CB 3.9Å; E65-A69 HydrophobicContact CB-CB 3.84Å; E65-A69 PolarHBondContact O-N 2.97Å; P67-A69 VanDerWaalsContact C-N 3.29Å; A69-W99 VanDerWaalsContact C-NE1 3.32Å
70A97.9Very high96.8Very high20 Ų2053.7 Ų53.717%0.16526%0.257CS..PPolyproline II helixtrans-64.8150.6177.600000112.2P63 W99P63-A70 WeakPolarHBondContact CD-O 3.32Å; P63-A70 WeakPolarHBondContact CG-O 3.35Å; A70-W99 VanDerWaalsContact CA-CD2 3.48Å; A70-W99 VanDerWaalsContact CA-CE2 3.49Å; A70-W99 HydrophobicContact CB-CB 3.89Å; A70-W99 HydrophobicContact CB-CD2 3.55Å; A70-W99 HydrophobicContact CB-CE3 3.9Å; A70-W99 HydrophobicContact CB-CG 3.52Å
71P98.2Very high96.6Very high4 Ų453.7 Ų53.73%0.02626%0.257CS..PPolyproline II helixtrans-56.3145.3163.7-24.135.1000111.4L60 F61 L62 Y66 V73 W99 V108L60-P71 HydrophobicContact CD1-CB 4.4Å; L60-P71 HydrophobicContact CD2-CB 4.26Å; L60-P71 HydrophobicContact CG-CB 4.12Å; F61-P71 CarbonylContact O-C 3.6Å; F61-P71 WeakPolarHBondContact O-CA 3.48Å; L62-P71 HydrophobicContact CD2-CB 3.99Å; L62-P71 HydrophobicContact CD2-CG 3.83Å; Y66-P71 HydrophobicContact CD2-CG 4.06Å; Y66-P71 HydrophobicContact CE2-CG 3.67Å; P71-V73 HydrophobicContact CB-CG2 4.33Å; P71-W99 VanDerWaalsContact CD-CH2 3.46Å; P71-W99 VanDerWaalsContact CD-CZ3 3.49Å; P71-W99 HydrophobicContact CG-CH2 4.16Å; P71-W99 HydrophobicContact CG-CZ3 4.32Å; P71-V108 HydrophobicContact CG-CG2 4.19Å
72K98.1Very high96.5Very high140 Ų14050.5 Ų50.561%0.60924%0.243SC*.EExtended strand (participates in β ladder)trans-88.5125.8166.8-61.6-178.3-178.1176.90108L60 F61L60-K72 CarbonylContact C-O 3.49Å; L60-K72 WeakPolarHBondContact CA-O 3.39Å; F61-K72 HydrophobicContact CB-CB 4.42Å; F61-K72 HydrophobicContact CD1-CD 4.4Å; F61-K72 PolarHBondContact N-O 2.67Å; F61-K72 PolarHBondContact O-N 3.37Å
73V98.4Very high96.4Very high15 Ų1550.7 Ų50.79%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-127.4134.7-179.5-170.90000109.7L58 E59 L60 P71 I90 L95 V108 V112L58-V73 HydrophobicContact CD2-CG1 3.82Å; E59-V73 WeakPolarHBondContact O-CA 3.47Å; L60-V73 HydrophobicContact CB-CG2 4.39Å; L60-V73 HydrophobicContact CD1-CG2 4Å; L60-V73 HydrophobicContact CG-CG2 4.04Å; P71-V73 HydrophobicContact CB-CG2 4.33Å; V73-I90 HydrophobicContact CB-CD1 4.09Å; V73-I90 HydrophobicContact CG1-CD1 3.72Å; V73-L95 HydrophobicContact CB-CD1 4.1Å; V73-L95 HydrophobicContact CG2-CD1 4.29Å; V73-L95 HydrophobicContact CG2-CD2 4Å; V73-V108 HydrophobicContact CG2-CG1 3.79Å; V73-V112 HydrophobicContact CG1-CG2 4.43Å
74R98Very high96.4Very high89 Ų8950.4 Ų50.434%0.33624%0.242SC..EExtended strand (participates in β ladder)trans-144.1138.9-179.6-171.1173.865.6117.9-2.7111.7L58 E59 M76 L87 G88L58-R74 CarbonylContact C-O 3.55Å; L58-R74 WeakPolarHBondContact CA-O 3.32Å; L58-R74 WeakPolarHBondContact CB-O 3.45Å; E59-R74 HydrophobicContact CG-CB 3.8Å; E59-R74 PolarHBondContact N-O 2.9Å; E59-R74 PolarHBondContact O-N 2.91Å; E59-R74 IonicContact OE1-CZ 3.65Å; E59-R74 VanDerWaalsContact OE1-CZ 3.24Å; E59-R74 IonicContact OE1-NE 3Å; E59-R74 PolarHBondContact OE1-NE 3.18Å; E59-R74 IonicContact OE1-NH2 3.92Å; E59-R74 PolarHBondContact OE1-NH2 3.32Å; E59-R74 IonicContact OE2-CZ 2.81Å; E59-R74 IonicContact OE2-NE 3.24Å; E59-R74 IonicContact OE2-NH2 3.87Å; E59-R74 PolarHBondContact OE2-NH2 3.08Å; R74-M76 PolarHBondContact NH2-SD 3.39Å; R74-M76 VanDerWaalsContact NH2-SD 3.43Å; R74-L87 WeakPolarHBondContact CD-O 3.19Å; R74-G88 CarbonylContact C-O 3.55Å; R74-G88 WeakPolarHBondContact CA-O 3.41Å; R74-G88 WeakPolarHBondContact CG-O 3.39Å
75F97.8Very high96.4Very high7 Ų744 Ų443%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-73.5126.2170.6-84-105.7000111F56 L58 I79 I84 G88 I90 V112 L116F56-F75 HydrophobicContact CB-CD1 4.08Å; F56-F75 HydrophobicContact CB-CE1 3.67Å; F56-F75 HydrophobicContact CD1-CD1 4.32Å; F56-F75 HydrophobicContact CD1-CE1 4.03Å; F56-F75 AromaticContact CG-CE1 3.94Å; F56-F75 HydrophobicContact CG-CE1 3.94Å; L58-F75 HydrophobicContact CD1-CD1 4.03Å; L58-F75 HydrophobicContact CD1-CE1 3.86Å; L58-F75 HydrophobicContact CD1-CG 4.44Å; L58-F75 HydrophobicContact CD1-CZ 4.11Å; L58-F75 HydrophobicContact CD2-CD2 3.87Å; L58-F75 HydrophobicContact CD2-CE1 4.42Å; L58-F75 HydrophobicContact CD2-CE2 3.62Å; L58-F75 HydrophobicContact CD2-CG 4.36Å; L58-F75 HydrophobicContact CD2-CZ 3.91Å; L58-F75 HydrophobicContact CG-CD1 4.14Å; L58-F75 HydrophobicContact CG-CD2 4.05Å; L58-F75 HydrophobicContact CG-CE1 4.25Å; L58-F75 HydrophobicContact CG-CE2 4.15Å; L58-F75 HydrophobicContact CG-CG 4.03Å; L58-F75 HydrophobicContact CG-CZ 4.25Å; F75-I79 HydrophobicContact CD1-CG2 4.08Å; F75-I79 HydrophobicContact CE1-CD1 4.13Å; F75-I79 HydrophobicContact CE1-CG2 4.48Å; F75-I79 HydrophobicContact CG-CG2 4.42Å; F75-I84 HydrophobicContact CB-CG2 4.19Å; F75-I84 HydrophobicContact CD1-CD1 4.38Å; F75-I84 HydrophobicContact CD2-CD1 3.73Å; F75-I84 HydrophobicContact CD2-CG1 4.26Å; F75-I84 HydrophobicContact CD2-CG2 4.02Å; F75-I84 HydrophobicContact CE1-CD1 4.04Å; F75-I84 HydrophobicContact CE2-CD1 3.34Å; F75-I84 HydrophobicContact CE2-CG1 4.14Å; F75-I84 HydrophobicContact CG-CD1 4.24Å; F75-I84 HydrophobicContact CG-CG2 4.17Å; F75-I84 HydrophobicContact CZ-CD1 3.52Å; F75-G88 PolarHBondContact N-O 3.3Å; F75-G88 WeakPolarHBondContact O-CA 3.31Å; F75-I90 HydrophobicContact CD2-CD1 3.69Å; F75-I90 HydrophobicContact CD2-CG1 3.76Å; F75-I90 HydrophobicContact CE2-CD1 3.62Å; F75-I90 HydrophobicContact CE2-CG1 3.96Å; F75-V112 HydrophobicContact CE2-CG1 4.03Å; F75-V112 HydrophobicContact CZ-CG1 4.07Å; F75-L116 HydrophobicContact CE1-CD2 4.36Å; F75-L116 HydrophobicContact CZ-CD2 4.04Å
76M96.7Very high96.2Very high91 Ų9146.7 Ų46.745%0.44822%0.223SC..SBendtrans-93.2-37170.5-55-53.8-72.300110.3K57 E59 R74 K78K57-M76 HydrophobicContact CB-CB 4.11Å; K57-M76 WeakPolarHBondContact O-CA 3.39Å; K57-M76 WeakPolarHBondContact O-CB 3.3Å; K57-M76 PolarHBondContact O-N 3.44Å; E59-M76 HydrophobicContact CB-CG 4.43Å; E59-M76 HydrophobicContact CB-SD 4.39Å; E59-M76 HydrophobicContact CG-CG 4.39Å; E59-M76 HydrophobicContact CG-SD 3.85Å; R74-M76 PolarHBondContact NH2-SD 3.39Å; R74-M76 VanDerWaalsContact NH2-SD 3.43Å; M76-K78 PolarHBondContact O-N 2.89Å
77T95.3Very high96.1Very high12 Ų1251.6 Ų51.67%0.07425%0.249CC..SBendtrans-72.3109.2168.3-70.40000109.1F56 K57 I79 K151F56-T77 HydrophobicContact CB-CG2 4.45Å; F56-T77 HydrophobicContact CD1-CG2 3.59Å; F56-T77 HydrophobicContact CE1-CG2 4.26Å; F56-T77 HydrophobicContact CG-CG2 4.38Å; K57-T77 PolarHBondContact N-OG1 3.28Å; K57-T77 PolarHBondContact O-N 2.89Å; T77-I79 PolarHBondContact O-N 3.41Å; T77-K151 HydrophobicContact CG2-CD 3.68Å
78K93.5Very high96.1Very high154 Ų15450.8 Ų50.867%0.6725%0.245SC*.  trans-44133.7164.4-62.3-176.9178.6-1800111.9M76 F147 K151M76-K78 PolarHBondContact O-N 2.89Å; K78-F147 HydrophobicContact CB-CD1 4.14Å; K78-F147 HydrophobicContact CB-CE1 4.4Å; K78-K151 PolarHBondContact O-NZ 3.05Å
79I93.7Very high96.1Very high19 Ų1950.9 Ų50.910%0.09724%0.237CC..  trans-142.7148.8-176.6-172.1175.4000109.3F51 F56 F75 T77 H81 I84 L116F51-I79 HydrophobicContact CD1-CD1 3.77Å; F51-I79 HydrophobicContact CD1-CG1 4.02Å; F51-I79 HydrophobicContact CE1-CD1 3.67Å; F51-I79 HydrophobicContact CE1-CG1 3.71Å; F51-I79 HydrophobicContact CG-CD1 4.35Å; F51-I79 HydrophobicContact CZ-CD1 4.19Å; F56-I79 HydrophobicContact CD1-CB 4.34Å; F56-I79 HydrophobicContact CD1-CD1 3.86Å; F56-I79 HydrophobicContact CD1-CG1 4.29Å; F56-I79 HydrophobicContact CE1-CB 4.12Å; F56-I79 HydrophobicContact CE1-CD1 3.48Å; F56-I79 VanDerWaalsContact CE1-CD1 3.48Å; F56-I79 HydrophobicContact CE1-CG1 3.71Å; F56-I79 HydrophobicContact CZ-CD1 3.97Å; F56-I79 HydrophobicContact CZ-CG1 4.43Å; F75-I79 HydrophobicContact CD1-CG2 4.08Å; F75-I79 HydrophobicContact CE1-CD1 4.13Å; F75-I79 HydrophobicContact CE1-CG2 4.48Å; F75-I79 HydrophobicContact CG-CG2 4.42Å; T77-I79 PolarHBondContact O-N 3.41Å; I79-H81 HydrophobicContact CD1-CB 4.16Å; I79-H81 HydrophobicContact CG1-CB 4.11Å; I79-H81 HydrophobicContact CG2-CB 4.26Å; I79-I84 HydrophobicContact CD1-CD1 4.14Å; I79-I84 HydrophobicContact CG2-CB 3.96Å; I79-I84 HydrophobicContact CG2-CD1 3.79Å; I79-I84 HydrophobicContact CG2-CG1 4.49Å; I79-I84 HydrophobicContact CG2-CG2 3.7Å; I79-L116 HydrophobicContact CD1-CD2 3.53Å
80Y93.4Very high96.1Very high29 Ų2950 Ų5011%0.11423%0.228CC..  trans-97.494.5172.6-162.8-105.9000109.2F51 V129 Q132 W133 A140 I143 F147F51-Y80 WeakPolarHBondContact CE1-O 3.48Å; Y80-V129 HydrophobicContact CD1-CG1 3.91Å; Y80-V129 HydrophobicContact CD2-CG1 4.4Å; Y80-V129 HydrophobicContact CD2-CG2 3.99Å; Y80-V129 HydrophobicContact CE1-CB 4.48Å; Y80-V129 HydrophobicContact CE1-CG1 3.68Å; Y80-V129 HydrophobicContact CE2-CB 4.32Å; Y80-V129 HydrophobicContact CE2-CG1 4.18Å; Y80-V129 HydrophobicContact CE2-CG2 3.56Å; Y80-V129 HydrophobicContact CG-CG1 4.26Å; Y80-Q132 PolarHBondContact OH-OE1 2.91Å; Y80-W133 AromaticContact CD1-NE1 3.96Å; Y80-A140 WeakPolarHBondContact CD1-O 3.34Å; Y80-A140 HydrophobicContact CE1-CB 4.08Å; Y80-I143 HydrophobicContact CD1-CB 4.32Å; Y80-I143 HydrophobicContact CD1-CG2 4.02Å; Y80-I143 HydrophobicContact CD2-CG2 3.87Å; Y80-I143 HydrophobicContact CE1-CB 4.29Å; Y80-I143 HydrophobicContact CE1-CG2 4.1Å; Y80-I143 HydrophobicContact CE2-CG2 3.95Å; Y80-I143 HydrophobicContact CG-CG2 3.92Å; Y80-F147 AromaticContact CD2-CE2 3.98Å; Y80-F147 HydrophobicContact CD2-CE2 3.98Å; Y80-F147 HydrophobicContact CD2-CZ 4.44Å; Y80-F147 HydrophobicContact CG-CE2 4.29Å
81H94.8Very high95.9Very high0 Ų049.8 Ų49.80%023%0.225CC..BIsolated β-bridgetrans-146.8133.6-171.4-172.9-65.7000111.2F51 I79 N83 I84 L115F51-H81 AromaticContact CE2-CD2 3.42Å; F51-H81 VanDerWaalsContact CE2-CD2 3.42Å; F51-H81 WeakPolarHBondContact CE2-CD2 3.47Å; F51-H81 HydrophobicContact CZ-CB 4.1Å; F51-H81 AromaticContact CZ-CD2 3.31Å; F51-H81 WeakPolarHBondContact CZ-CD2 3.41Å; I79-H81 HydrophobicContact CD1-CB 4.16Å; I79-H81 HydrophobicContact CG1-CB 4.11Å; I79-H81 HydrophobicContact CG2-CB 4.26Å; H81-N83 VanDerWaalsContact C-N 3.3Å; H81-N83 PolarHBondContact CE1-OD1 3.08Å; H81-N83 PolarHBondContact ND1-N 3.45Å; H81-N83 PolarHBondContact O-N 3.38Å; H81-I84 HydrophobicContact CB-CB 4.06Å; H81-I84 HydrophobicContact CB-CD1 3.93Å; H81-I84 HydrophobicContact CB-CG1 4.17Å; H81-I84 PolarHBondContact O-N 2.94Å; H81-I84 VanDerWaalsContact O-N 3.12Å; H81-L115 PolarHBondContact NE2-O 3.36Å; H81-L115 VanDerWaalsContact NE2-O 3.17Å
82P95.2Very high95.7Very high0 Ų050.6 Ų50.60%023%0.229CC..THydrogen-bonded Turntrans-60.6-35.2-175.321.9-33.3000113.6P119 P121 P124 L125 A126 A130 W133P82-P119 HydrophobicContact CG-CB 3.58Å; P82-P121 HydrophobicContact CB-CB 4.31Å; P82-P124 WeakPolarHBondContact O-CA 3.37Å; P82-L125 PolarHBondContact O-N 2.92Å; P82-A126 PolarHBondContact O-N 3.17Å; P82-A130 HydrophobicContact CB-CB 3.84Å; P82-W133 HydrophobicContact CG-CD2 4.47Å
83N96.6Very high95.5Very high4 Ų447.8 Ų47.82%0.02122%0.221CC..THydrogen-bonded Turntrans-92.25.5178.6-44.797.2000115.1H81 C91 L115 N120 D123H81-N83 VanDerWaalsContact C-N 3.3Å; H81-N83 PolarHBondContact CE1-OD1 3.08Å; H81-N83 PolarHBondContact ND1-N 3.45Å; H81-N83 PolarHBondContact O-N 3.38Å; N83-C91 HydrophobicContact CB-CB 4.27Å; N83-C91 PolarHBondContact O-N 2.92Å; N83-L115 HydrophobicContact CB-CD1 4.07Å; N83-L115 HydrophobicContact CB-CD2 4.11Å; N83-L115 HydrophobicContact CB-CG 4.47Å; N83-N120 PolarHBondContact ND2-O 3Å; N83-N120 PolarHBondContact OD1-N 3.24Å; N83-N120 PolarHBondContact OD1-O 2.65Å; N83-D123 PolarHBondContact ND2-O 3.16Å
84I96.9Very high95.4Very high3 Ų348 Ų482%0.01522%0.221CC..BIsolated β-bridgetrans-128.1125178.9-54163.6000109.1F75 I79 H81 R89 L116F75-I84 HydrophobicContact CB-CG2 4.19Å; F75-I84 HydrophobicContact CD1-CD1 4.38Å; F75-I84 HydrophobicContact CD2-CD1 3.73Å; F75-I84 HydrophobicContact CD2-CG1 4.26Å; F75-I84 HydrophobicContact CD2-CG2 4.02Å; F75-I84 HydrophobicContact CE1-CD1 4.04Å; F75-I84 HydrophobicContact CE2-CD1 3.34Å; F75-I84 HydrophobicContact CE2-CG1 4.14Å; F75-I84 HydrophobicContact CG-CD1 4.24Å; F75-I84 HydrophobicContact CG-CG2 4.17Å; F75-I84 HydrophobicContact CZ-CD1 3.52Å; I79-I84 HydrophobicContact CD1-CD1 4.14Å; I79-I84 HydrophobicContact CG2-CB 3.96Å; I79-I84 HydrophobicContact CG2-CD1 3.79Å; I79-I84 HydrophobicContact CG2-CG1 4.49Å; I79-I84 HydrophobicContact CG2-CG2 3.7Å; H81-I84 HydrophobicContact CB-CB 4.06Å; H81-I84 HydrophobicContact CB-CD1 3.93Å; H81-I84 HydrophobicContact CB-CG1 4.17Å; H81-I84 PolarHBondContact O-N 2.94Å; H81-I84 VanDerWaalsContact O-N 3.12Å; I84-R89 VanDerWaalsContact CA-O 3.31Å; I84-R89 WeakPolarHBondContact CA-O 3.26Å; I84-L116 HydrophobicContact CD1-CD2 4.39Å
85D95Very high95.3Very high19 Ų1945.2 Ų45.210%0.10221%0.213CC..  trans-90179.4-176.8767.8000114.2L87 G88 R89 L125D85-L87 PolarHBondContact O-N 2.74Å; D85-L87 VanDerWaalsContact O-N 3.12Å; D85-L87 WeakPolarHBondContact OD1-CA 3.41Å; D85-L87 WeakPolarHBondContact OD1-CB 3.47Å; D85-L87 PolarHBondContact OD1-N 2.89Å; D85-G88 PolarHBondContact O-N 3.35Å; D85-G88 PolarHBondContact OD1-N 3.04Å; D85-R89 PolarHBondContact N-O 3.44Å; D85-R89 VanDerWaalsContact N-O 3.16Å; D85-R89 PolarHBondContact OD1-N 2.91Å; D85-R89 IonicContact OD1-NE 3.98Å; D85-R89 IonicContact OD2-CZ 2.72Å; D85-R89 IonicContact OD2-NE 3.44Å; D85-R89 PolarHBondContact OD2-NE 3.44Å; D85-R89 IonicContact OD2-NH2 2.93Å; D85-R89 PolarHBondContact OD2-NH2 3.06Å; D85-L125 HydrophobicContact CB-CD2 3.89Å; D85-L125 HydrophobicContact CB-CG 4.04Å
86K93.2Very high95.1Very high174 Ų17450.4 Ų50.476%0.75724%0.235SC*.THydrogen-bonded Turntrans-63.1-17.4-179-65.4172.5-175.8160.70113.7D128K86-D128 IonicContact NZ-OD2 2.69Å; K86-D128 PolarHBondContact NZ-OD2 2.93Å
87L94.9Very high94.9Very high110 Ų11051.6 Ų51.658%0.57624%0.244SC*.THydrogen-bonded Turntrans-94.7-3.4175.4-60.5179.1000112.5R74 D85 R89R74-L87 WeakPolarHBondContact CD-O 3.19Å; D85-L87 PolarHBondContact O-N 2.74Å; D85-L87 VanDerWaalsContact O-N 3.12Å; D85-L87 WeakPolarHBondContact OD1-CA 3.41Å; D85-L87 WeakPolarHBondContact OD1-CB 3.47Å; D85-L87 PolarHBondContact OD1-N 2.89Å; L87-R89 HydrophobicContact CB-CG 4.35Å
88G96.4Very high95Very high5 Ų557 Ų575%0.05227%0.266CS..  trans82.99.6-178.200000114.4R74 F75 D85R74-G88 CarbonylContact C-O 3.55Å; R74-G88 WeakPolarHBondContact CA-O 3.41Å; R74-G88 WeakPolarHBondContact CG-O 3.39Å; F75-G88 PolarHBondContact N-O 3.3Å; F75-G88 WeakPolarHBondContact O-CA 3.31Å; D85-G88 PolarHBondContact O-N 3.35Å; D85-G88 PolarHBondContact OD1-N 3.04Å
89R96.8Very high95.2Very high140 Ų14051.2 Ų51.253%0.52824%0.24SC..BIsolated β-bridgetrans-69.1145.7176.7-60.5179.9-65.6-178.21.7108.8I84 D85 L87 L125I84-R89 VanDerWaalsContact CA-O 3.31Å; I84-R89 WeakPolarHBondContact CA-O 3.26Å; D85-R89 PolarHBondContact N-O 3.44Å; D85-R89 VanDerWaalsContact N-O 3.16Å; D85-R89 PolarHBondContact OD1-N 2.91Å; D85-R89 IonicContact OD1-NE 3.98Å; D85-R89 IonicContact OD2-CZ 2.72Å; D85-R89 IonicContact OD2-NE 3.44Å; D85-R89 PolarHBondContact OD2-NE 3.44Å; D85-R89 IonicContact OD2-NH2 2.93Å; D85-R89 PolarHBondContact OD2-NH2 3.06Å; L87-R89 HydrophobicContact CB-CG 4.35Å; R89-L125 HydrophobicContact CB-CD2 3.84Å; R89-L125 WeakPolarHBondContact O-CD2 3.4Å
90I96.8Very high95.4Very high16 Ų1652.7 Ų52.78%0.08225%0.252CS..BIsolated β-bridgetrans-112.3129.4-174.3-50173.3000108.9L58 V73 F75 L92 L95 V112 L115L58-I90 HydrophobicContact CD2-CD1 4.37Å; V73-I90 HydrophobicContact CB-CD1 4.09Å; V73-I90 HydrophobicContact CG1-CD1 3.72Å; F75-I90 HydrophobicContact CD2-CD1 3.69Å; F75-I90 HydrophobicContact CD2-CG1 3.76Å; F75-I90 HydrophobicContact CE2-CD1 3.62Å; F75-I90 HydrophobicContact CE2-CG1 3.96Å; I90-L92 HydrophobicContact CG2-CB 3.86Å; I90-L92 PolarHBondContact O-N 3.37Å; I90-L95 HydrophobicContact CB-CD1 4.35Å; I90-V112 HydrophobicContact CD1-CG2 4.2Å; I90-L115 HydrophobicContact CG2-CD2 3.54Å
91C94.2Very high95.6Very high15 Ų1553.6 Ų53.610%0.10126%0.261CS..  trans-85.499.8161.4-161.70000108.8N83 K96 L125N83-C91 HydrophobicContact CB-CB 4.27Å; N83-C91 PolarHBondContact O-N 2.92Å; C91-K96 PolarHBondContact SG-NZ 2.93Å; C91-L125 HydrophobicContact CB-CB 4.07Å
92L94Very high95.7Very high20 Ų2057.1 Ų57.111%0.10529%0.291CS..  trans-142.9123.3174.7-173.565.1000107.5I90 I94 L95 V112I90-L92 HydrophobicContact CG2-CB 3.86Å; I90-L92 PolarHBondContact O-N 3.37Å; L92-I94 VanDerWaalsContact C-N 3.32Å; L92-I94 HydrophobicContact CD1-CG1 4.47Å; L92-I94 HydrophobicContact CD2-CD1 3.99Å; L92-I94 HydrophobicContact CD2-CG1 3.64Å; L92-I94 HydrophobicContact CG-CG1 3.65Å; L92-I94 PolarHBondContact O-N 3.25Å; L92-L95 HydrophobicContact CB-CD1 4.1Å; L92-L95 HydrophobicContact CB-CG 4.22Å; L92-L95 HydrophobicContact CD2-CD1 4.27Å; L92-L95 HydrophobicContact CD2-CG 4.22Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 PolarHBondContact O-N 3.15Å; L92-V112 HydrophobicContact CD2-CG2 4.02Å
93D93.5Very high95.8Very high81 Ų8159 Ų5943%0.43330%0.3SS..G310 helixtrans-61-36.6-172.562.5-16.6000113.2L95 K96 D97 K98D93-L95 PolarHBondContact O-N 2.81Å; D93-L95 VanDerWaalsContact O-N 3.17Å; D93-K96 CarbonylContact O-C 3.56Å; D93-K96 WeakPolarHBondContact O-CA 3.33Å; D93-K96 PolarHBondContact O-N 3.23Å; D93-D97 PolarHBondContact O-N 3.26Å; D93-K98 HydrophobicContact CB-CB 4.16Å; D93-K98 HydrophobicContact CB-CG 3.72Å; D93-K98 PolarHBondContact O-N 3.39Å; D93-K98 WeakPolarHBondContact OD2-CG 3.45Å
94I95.9Very high95.8Very high20 Ų2061.5 Ų61.510%0.10331%0.312CS..G310 helixtrans-66.5-14.1175.764.5146.6000113.4L92 K96 K98 W99 L103 V108 S111L92-I94 VanDerWaalsContact C-N 3.32Å; L92-I94 HydrophobicContact CD1-CG1 4.47Å; L92-I94 HydrophobicContact CD2-CD1 3.99Å; L92-I94 HydrophobicContact CD2-CG1 3.64Å; L92-I94 HydrophobicContact CG-CG1 3.65Å; L92-I94 PolarHBondContact O-N 3.25Å; I94-K96 VanDerWaalsContact C-N 3.34Å; I94-K98 HydrophobicContact CG2-CB 4.36Å; I94-W99 WeakPolarHBondContact O-CA 3.48Å; I94-W99 WeakPolarHBondContact O-CB 3.41Å; I94-L103 HydrophobicContact CB-CD1 4.12Å; I94-L103 HydrophobicContact CG2-CD1 4.22Å; I94-V108 HydrophobicContact CD1-CB 4.39Å; I94-V108 HydrophobicContact CD1-CG2 4.11Å; I94-S111 VanDerWaalsContact CD1-CB 3.44Å; I94-S111 WeakPolarHBondContact CD1-OG 3.44Å
95L96.1Very high95.8Very high30 Ų3061.4 Ų61.416%0.15731%0.312CS..G310 helixtrans-92.11.1171.2-59.2179.1000112.2V73 I90 L92 D93 V108V73-L95 HydrophobicContact CB-CD1 4.1Å; V73-L95 HydrophobicContact CG2-CD1 4.29Å; V73-L95 HydrophobicContact CG2-CD2 4Å; I90-L95 HydrophobicContact CB-CD1 4.35Å; L92-L95 HydrophobicContact CB-CD1 4.1Å; L92-L95 HydrophobicContact CB-CG 4.22Å; L92-L95 HydrophobicContact CD2-CD1 4.27Å; L92-L95 HydrophobicContact CD2-CG 4.22Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 PolarHBondContact O-N 3.15Å; D93-L95 PolarHBondContact O-N 2.81Å; D93-L95 VanDerWaalsContact O-N 3.17Å; L95-V108 HydrophobicContact CD2-CG1 3.75Å; L95-V108 HydrophobicContact CD2-CG2 4.49Å
96K93.3Very high95.9Very high116 Ų11665.3 Ų65.350%0.50433%0.325SS..THydrogen-bonded Turntrans-132.2-114.4-175.8-61.6-179.8-1791730110.3C91 D93 I94 W99C91-K96 PolarHBondContact SG-NZ 2.93Å; D93-K96 CarbonylContact O-C 3.56Å; D93-K96 WeakPolarHBondContact O-CA 3.33Å; D93-K96 PolarHBondContact O-N 3.23Å; I94-K96 VanDerWaalsContact C-N 3.34Å; K96-W99 PolarHBondContact O-N 3.16Å
97D94.3Very high96.1Very high117 Ų11759.5 Ų59.563%0.62630%0.304SS*.THydrogen-bonded Turntrans-78.6-16.5-171.162.3-68.8000114D93D93-D97 PolarHBondContact O-N 3.26Å
98K96.4Very high96.2Very high124 Ų12454.3 Ų54.354%0.53928%0.277SS..THydrogen-bonded Turntrans-97.35.2174.6-55.3-60.8-177.6-174.70113.5D93 I94D93-K98 HydrophobicContact CB-CB 4.16Å; D93-K98 HydrophobicContact CB-CG 3.72Å; D93-K98 PolarHBondContact O-N 3.39Å; D93-K98 WeakPolarHBondContact OD2-CG 3.45Å; I94-K98 HydrophobicContact CG2-CB 4.36Å
99W98.1Very high96.3Very high34 Ų3454.1 Ų54.113%0.12928%0.275CS..  trans-62138.8171.8177.2-107.5000110.8Y66 P67 A69 A70 P71 I94 K96 L103 V108Y66-W99 HydrophobicContact CD2-CZ2 4.18Å; Y66-W99 AromaticContact CE2-CH2 3.7Å; Y66-W99 HydrophobicContact CE2-CH2 3.7Å; Y66-W99 AromaticContact CE2-CZ2 3.72Å; Y66-W99 HydrophobicContact CE2-CZ2 3.72Å; P67-W99 HydrophobicContact CB-CZ2 4.4Å; P67-W99 PolarHBondContact O-NE1 2.85Å; A69-W99 VanDerWaalsContact C-NE1 3.32Å; A70-W99 VanDerWaalsContact CA-CD2 3.48Å; A70-W99 VanDerWaalsContact CA-CE2 3.49Å; A70-W99 HydrophobicContact CB-CB 3.89Å; A70-W99 HydrophobicContact CB-CD2 3.55Å; A70-W99 HydrophobicContact CB-CE3 3.9Å; A70-W99 HydrophobicContact CB-CG 3.52Å; P71-W99 VanDerWaalsContact CD-CH2 3.46Å; P71-W99 VanDerWaalsContact CD-CZ3 3.49Å; P71-W99 HydrophobicContact CG-CH2 4.16Å; P71-W99 HydrophobicContact CG-CZ3 4.32Å; I94-W99 WeakPolarHBondContact O-CA 3.48Å; I94-W99 WeakPolarHBondContact O-CB 3.41Å; K96-W99 PolarHBondContact O-N 3.16Å; W99-L103 HydrophobicContact CE3-CB 4.11Å; W99-L103 HydrophobicContact CE3-CD1 3.97Å; W99-L103 HydrophobicContact CH2-CB 4.03Å; W99-L103 HydrophobicContact CZ3-CB 3.63Å; W99-L103 HydrophobicContact CZ3-CD1 4.27Å; W99-V108 HydrophobicContact CZ3-CG2 3.7Å
100S97.6Very high96.3Very high50 Ų5050.2 Ų50.235%0.3526%0.264SS..  trans-139.9141.9171.9169.20000109.4A102 L103S100-A102 PolarHBondContact O-N 3.42Å; S100-A102 PolarHBondContact OG-N 2.66Å; S100-L103 WeakPolarHBondContact O-CB 3.39Å; S100-L103 PolarHBondContact O-N 3.25Å
101P97.4Very high96.3Very high47 Ų4751 Ų5131%0.30527%0.271SS..THydrogen-bonded Turntrans-58.6-12.3174.5-23.633.3000114.9R11 P67 M68R11-P101 PolarHBondContact NH1-O 3.25Å; R11-P101 VanDerWaalsContact NH1-O 3.1Å; R11-P101 PolarHBondContact NH2-O 2.71Å; P67-P101 HydrophobicContact CB-CB 4.28Å; P67-P101 HydrophobicContact CG-CB 4.27Å; P67-P101 WeakPolarHBondContact O-CA 3.41Å; P67-P101 WeakPolarHBondContact O-CB 3.48Å; M68-P101 HydrophobicContact CE-CB 3.99Å; M68-P101 HydrophobicContact CE-CG 4.09Å; M68-P101 HydrophobicContact SD-CB 4.34Å; M68-P101 HydrophobicContact SD-CG 3.77Å
102A97.3Very high96.4Very high75 Ų7550.3 Ų50.362%0.6227%0.266SS*.THydrogen-bonded Turntrans-72.8-28.2171.400000112.9S100S100-A102 PolarHBondContact O-N 3.42Å; S100-A102 PolarHBondContact OG-N 2.66Å
103L97.6Very high96.6Very high39 Ų3951 Ų5120%0.20427%0.269CS..  trans-69.5154.3175.5-57.9178.1000110.6R11 I94 W99 S100 T107R11-L103 PolarHBondContact NH2-O 3.12Å; I94-L103 HydrophobicContact CB-CD1 4.12Å; I94-L103 HydrophobicContact CG2-CD1 4.22Å; W99-L103 HydrophobicContact CE3-CB 4.11Å; W99-L103 HydrophobicContact CE3-CD1 3.97Å; W99-L103 HydrophobicContact CH2-CB 4.03Å; W99-L103 HydrophobicContact CZ3-CB 3.63Å; W99-L103 HydrophobicContact CZ3-CD1 4.27Å; S100-L103 WeakPolarHBondContact O-CB 3.39Å; S100-L103 PolarHBondContact O-N 3.25Å; L103-T107 HydrophobicContact CD2-CG2 3.96Å
104Q96.7Very high96.7Very high57 Ų5749.7 Ų49.727%0.26627%0.27SS..  trans-125.3162.3-175.3-73.317719.400110.4R11 E15 R106 T107 V108R11-Q104 VanDerWaalsContact NH2-CG 3.27Å; E15-Q104 HydrophobicContact CG-CG 4.31Å; E15-Q104 WeakPolarHBondContact OE2-CA 3.49Å; E15-Q104 WeakPolarHBondContact OE2-CB 3.48Å; Q104-R106 PolarHBondContact O-N 2.7Å; Q104-T107 WeakPolarHBondContact O-CA 3.37Å; Q104-T107 WeakPolarHBondContact O-CB 3.31Å; Q104-T107 PolarHBondContact O-N 2.72Å; Q104-V108 PolarHBondContact O-N 3.44Å
105I97Very high96.7Very high1 Ų149.6 Ų49.61%0.00527%0.269CS..Hα-helixtrans-48.3-45.3172.9-60.3169.4000109.8E15 L19 F39 L60 L62 T107 V108 L109E15-I105 HydrophobicContact CB-CD1 4.05Å; E15-I105 WeakPolarHBondContact OE2-CG1 3.42Å; E15-I105 PolarHBondContact OE2-N 3.01Å; L19-I105 HydrophobicContact CD2-CG2 3.94Å; F39-I105 HydrophobicContact CE2-CD1 4.27Å; F39-I105 HydrophobicContact CZ-CD1 3.95Å; L60-I105 HydrophobicContact CD1-CG2 4.03Å; L60-I105 HydrophobicContact CD2-CG2 4.48Å; L62-I105 HydrophobicContact CD1-CD1 3.83Å; L62-I105 HydrophobicContact CD2-CD1 4.29Å; L62-I105 HydrophobicContact CD2-CG1 4.11Å; I105-T107 VanDerWaalsContact C-N 3.34Å; I105-T107 PolarHBondContact O-N 3.09Å; I105-V108 WeakPolarHBondContact O-CB 3.44Å; I105-V108 PolarHBondContact O-N 2.83Å; I105-L109 HydrophobicContact CG2-CD1 4Å; I105-L109 HydrophobicContact CG2-CG 4.37Å; I105-L109 VanDerWaalsContact O-CG 3.32Å; I105-L109 WeakPolarHBondContact O-CG 3.4Å; I105-L109 PolarHBondContact O-N 2.99Å
106R97Very high96.6Very high101 Ų10148.2 Ų48.238%0.38126%0.262SS..Hα-helixtrans-56-45.7177-170.7-179.2-171-84.9-2.2112.7L19 V24 Q104 L109 L110L19-R106 HydrophobicContact CD1-CB 4.42Å; V24-R106 HydrophobicContact CG2-CG 3.65Å; Q104-R106 PolarHBondContact O-N 2.7Å; R106-L109 PolarHBondContact O-N 3.17Å; R106-L110 HydrophobicContact CG-CD1 4.25Å; R106-L110 VanDerWaalsContact NH1-CD1 3.32Å; R106-L110 WeakPolarHBondContact O-CG 3.5Å; R106-L110 PolarHBondContact O-N 3.43Å
107T96.8Very high96.6Very high52 Ų5245.5 Ų45.532%0.31926%0.258SS..Hα-helixtrans-66.3-41.5179.7-48.10000110.9L103 Q104 I105 L109 L110 S111L103-T107 HydrophobicContact CD2-CG2 3.96Å; Q104-T107 WeakPolarHBondContact O-CA 3.37Å; Q104-T107 WeakPolarHBondContact O-CB 3.31Å; Q104-T107 PolarHBondContact O-N 2.72Å; I105-T107 VanDerWaalsContact C-N 3.34Å; I105-T107 PolarHBondContact O-N 3.09Å; T107-L109 PolarHBondContact O-N 3.29Å; T107-L110 PolarHBondContact O-N 3.44Å; T107-S111 PolarHBondContact O-N 3.17Å; T107-S111 PolarHBondContact O-OG 3.19Å; T107-S111 VanDerWaalsContact O-OG 3.13Å
108V97.5Very high96.5Very high0 Ų043.1 Ų43.10%025%0.254CS..Hα-helixtrans-58.2-48.2175.4172.70000111.2L60 P71 V73 I94 L95 W99 Q104 I105 L110 S111 V112L60-V108 HydrophobicContact CD1-CG1 4.38Å; P71-V108 HydrophobicContact CG-CG2 4.19Å; V73-V108 HydrophobicContact CG2-CG1 3.79Å; I94-V108 HydrophobicContact CD1-CB 4.39Å; I94-V108 HydrophobicContact CD1-CG2 4.11Å; L95-V108 HydrophobicContact CD2-CG1 3.75Å; L95-V108 HydrophobicContact CD2-CG2 4.49Å; W99-V108 HydrophobicContact CZ3-CG2 3.7Å; Q104-V108 PolarHBondContact O-N 3.44Å; I105-V108 WeakPolarHBondContact O-CB 3.44Å; I105-V108 PolarHBondContact O-N 2.83Å; V108-L110 PolarHBondContact O-N 3.05Å; V108-S111 PolarHBondContact O-N 3.31Å; V108-V112 WeakPolarHBondContact O-CG2 3.17Å; V108-V112 PolarHBondContact O-N 3.49Å
109L97.6Very high96.3Very high2 Ų238.4 Ų38.41%0.0124%0.236CC..Hα-helixtrans-62.6-42179-67.6174.6000112.4L19 I27 A29 V41 L60 I105 R106 T107 V112 Q113L19-L109 HydrophobicContact CD1-CD1 4.22Å; L19-L109 HydrophobicContact CD2-CD1 4.1Å; I27-L109 HydrophobicContact CD1-CB 3.94Å; I27-L109 WeakPolarHBondContact CD1-O 3.38Å; I27-L109 HydrophobicContact CG2-CB 4.3Å; I27-L109 HydrophobicContact CG2-CD1 4.15Å; I27-L109 HydrophobicContact CG2-CD2 4.36Å; A29-L109 HydrophobicContact CB-CD1 3.61Å; V41-L109 HydrophobicContact CB-CD2 4.47Å; V41-L109 HydrophobicContact CG1-CD2 3.58Å; V41-L109 HydrophobicContact CG2-CD2 4.05Å; L60-L109 HydrophobicContact CD1-CD2 4.09Å; L60-L109 HydrophobicContact CD1-CG 4.46Å; I105-L109 HydrophobicContact CG2-CD1 4Å; I105-L109 HydrophobicContact CG2-CG 4.37Å; I105-L109 VanDerWaalsContact O-CG 3.32Å; I105-L109 WeakPolarHBondContact O-CG 3.4Å; I105-L109 PolarHBondContact O-N 2.99Å; R106-L109 PolarHBondContact O-N 3.17Å; T107-L109 PolarHBondContact O-N 3.29Å; L109-V112 PolarHBondContact O-N 3.33Å; L109-Q113 PolarHBondContact O-N 3.48Å
110L97Very high96Very high58 Ų5840.1 Ų40.130%0.30425%0.248SC..Hα-helixtrans-63.3-41.5175.1-78169000112.4V24 R106 T107 V108 V112 Q113 A114V24-L110 HydrophobicContact CG1-CD2 3.47Å; V24-L110 VanDerWaalsContact CG1-CD2 3.47Å; V24-L110 HydrophobicContact CG1-CG 4.07Å; R106-L110 HydrophobicContact CG-CD1 4.25Å; R106-L110 VanDerWaalsContact NH1-CD1 3.32Å; R106-L110 WeakPolarHBondContact O-CG 3.5Å; R106-L110 PolarHBondContact O-N 3.43Å; T107-L110 PolarHBondContact O-N 3.44Å; V108-L110 PolarHBondContact O-N 3.05Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 3.28Å; L110-Q113 PolarHBondContact O-N 3.46Å; L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 2.97Å
111S97.1Very high95.7Very high32 Ų3239 Ų3922%0.22424%0.239CC..Hα-helixtrans-66.6-34.7176.8-63.90000112.3I94 T107 V108 A114 L115I94-S111 VanDerWaalsContact CD1-CB 3.44Å; I94-S111 WeakPolarHBondContact CD1-OG 3.44Å; T107-S111 PolarHBondContact O-N 3.17Å; T107-S111 PolarHBondContact O-OG 3.19Å; T107-S111 VanDerWaalsContact O-OG 3.13Å; V108-S111 PolarHBondContact O-N 3.31Å; S111-A114 PolarHBondContact O-N 3Å; S111-L115 PolarHBondContact O-N 3.41Å
112V97.2Very high95.3Very high1 Ų143.2 Ų43.21%0.00626%0.255CS..Hα-helixtrans-65.6-43.4172.2171.30000111.3L58 V73 F75 I90 L92 V108 L109 L110 A114 L115 L116L58-V112 HydrophobicContact CD2-CG1 3.68Å; V73-V112 HydrophobicContact CG1-CG2 4.43Å; F75-V112 HydrophobicContact CE2-CG1 4.03Å; F75-V112 HydrophobicContact CZ-CG1 4.07Å; I90-V112 HydrophobicContact CD1-CG2 4.2Å; L92-V112 HydrophobicContact CD2-CG2 4.02Å; V108-V112 WeakPolarHBondContact O-CG2 3.17Å; V108-V112 PolarHBondContact O-N 3.49Å; L109-V112 PolarHBondContact O-N 3.33Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 3.28Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-L115 WeakPolarHBondContact O-CB 3.44Å; V112-L115 PolarHBondContact O-N 2.91Å; V112-L116 PolarHBondContact O-N 3.32Å
113Q96.7Very high94.9Very high33 Ų3344.1 Ų44.115%0.15425%0.249CC..Hα-helixtrans-64.4-39.3175-173.8-178.76000111.6P25 I27 V43 P46 L109 L110 L115 L116 S117P25-Q113 PolarHBondContact O-NE2 3.18Å; P25-Q113 VanDerWaalsContact O-NE2 3.15Å; I27-Q113 HydrophobicContact CD1-CB 3.88Å; I27-Q113 HydrophobicContact CD1-CG 4.48Å; V43-Q113 HydrophobicContact CG1-CB 4.05Å; V43-Q113 HydrophobicContact CG1-CG 4.12Å; P46-Q113 HydrophobicContact CG-CG 3.65Å; L109-Q113 PolarHBondContact O-N 3.48Å; L110-Q113 PolarHBondContact O-N 3.46Å; Q113-L115 VanDerWaalsContact C-N 3.32Å; Q113-L115 PolarHBondContact O-N 3.21Å; Q113-L116 WeakPolarHBondContact O-CB 3.17Å; Q113-L116 PolarHBondContact O-N 3.13Å; Q113-L116 VanDerWaalsContact O-N 3.17Å; Q113-S117 PolarHBondContact O-N 2.93Å
114A96.1Very high94.6Very high55 Ų5544.6 Ų44.646%0.45526%0.255SS..Hα-helixtrans-63.7-36.1175.400000112.5L110 S111 V112 L116 S117 A118L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 2.97Å; S111-A114 PolarHBondContact O-N 3Å; V112-A114 VanDerWaalsContact C-N 3.34Å; A114-L116 VanDerWaalsContact C-N 3.28Å; A114-L116 PolarHBondContact O-N 3.38Å; A114-S117 WeakPolarHBondContact O-CB 3.15Å; A114-S117 PolarHBondContact O-N 3.19Å; A114-S117 VanDerWaalsContact O-N 3.1Å; A114-A118 PolarHBondContact O-N 2.76Å
115L95.5Very high94.4Very high18 Ų1844.8 Ų44.89%0.09426%0.257CS..Hα-helixtrans-61.8-36.9174-175.264.5000111.7H81 N83 I90 S111 V112 Q113 A118H81-L115 PolarHBondContact NE2-O 3.36Å; H81-L115 VanDerWaalsContact NE2-O 3.17Å; N83-L115 HydrophobicContact CB-CD1 4.07Å; N83-L115 HydrophobicContact CB-CD2 4.11Å; N83-L115 HydrophobicContact CB-CG 4.47Å; I90-L115 HydrophobicContact CG2-CD2 3.54Å; S111-L115 PolarHBondContact O-N 3.41Å; V112-L115 WeakPolarHBondContact O-CB 3.44Å; V112-L115 PolarHBondContact O-N 2.91Å; Q113-L115 VanDerWaalsContact C-N 3.32Å; Q113-L115 PolarHBondContact O-N 3.21Å; L115-A118 CarbonylContact O-C 3.27Å; L115-A118 VanDerWaalsContact O-C 3.27Å; L115-A118 PolarHBondContact O-N 3.02Å
116L95.1Very high94.2Very high0 Ų045.2 Ų45.20%026%0.261CS..Hα-helixtrans-66.1-36.8172.5-62.4179.1000111.9V43 P46 F51 F56 F75 I79 I84 V112 Q113 A114 A118V43-L116 HydrophobicContact CG1-CD1 3.81Å; P46-L116 HydrophobicContact CG-CB 4.27Å; F51-L116 HydrophobicContact CD2-CB 3.88Å; F51-L116 HydrophobicContact CD2-CD2 3.95Å; F51-L116 HydrophobicContact CD2-CG 4.5Å; F51-L116 WeakPolarHBondContact CD2-O 3.23Å; F51-L116 HydrophobicContact CE2-CB 4.48Å; F51-L116 HydrophobicContact CE2-CD2 4.18Å; F51-L116 WeakPolarHBondContact CE2-O 3.41Å; F51-L116 HydrophobicContact CG-CD2 4.31Å; F56-L116 HydrophobicContact CD2-CD1 3.94Å; F56-L116 HydrophobicContact CE2-CD1 4.24Å; F75-L116 HydrophobicContact CE1-CD2 4.36Å; F75-L116 HydrophobicContact CZ-CD2 4.04Å; I79-L116 HydrophobicContact CD1-CD2 3.53Å; I84-L116 HydrophobicContact CD1-CD2 4.39Å; V112-L116 PolarHBondContact O-N 3.32Å; Q113-L116 WeakPolarHBondContact O-CB 3.17Å; Q113-L116 PolarHBondContact O-N 3.13Å; Q113-L116 VanDerWaalsContact O-N 3.17Å; A114-L116 VanDerWaalsContact C-N 3.28Å; A114-L116 PolarHBondContact O-N 3.38Å; L116-A118 VanDerWaalsContact C-N 3.34Å
117S93.5Very high94Very high60 Ų6043.6 Ų43.642%0.4227%0.269SS..Hα-helixtrans-66.1-36.3176-61.60000113.1P46 Q113 A114P46-S117 VanDerWaalsContact CB-OG 3.24Å; P46-S117 WeakPolarHBondContact CB-OG 3.4Å; P46-S117 VanDerWaalsContact CG-OG 3.25Å; P46-S117 WeakPolarHBondContact CG-OG 3.43Å; Q113-S117 PolarHBondContact O-N 2.93Å; A114-S117 WeakPolarHBondContact O-CB 3.15Å; A114-S117 PolarHBondContact O-N 3.19Å; A114-S117 VanDerWaalsContact O-N 3.1Å
118A92.2Very high93.7Very high67 Ų6744.8 Ų44.855%0.55427%0.274SS*.SBendtrans-137.280.9-174.700000111.3A114 L115 L116A114-A118 PolarHBondContact O-N 2.76Å; L115-A118 CarbonylContact O-C 3.27Å; L115-A118 VanDerWaalsContact O-C 3.27Å; L115-A118 PolarHBondContact O-N 3.02Å; L116-A118 VanDerWaalsContact C-N 3.34Å
119P92Very high93.5Very high24 Ų2445.2 Ų45.216%0.15628%0.276CS..  trans-58.3142.3173.5-25.837.7000111.5F51 P82 P121 W133F51-P119 HydrophobicContact CE2-CG 3.83Å; F51-P119 HydrophobicContact CZ-CG 4.35Å; P82-P119 HydrophobicContact CG-CB 3.58Å; P119-P121 VanDerWaalsContact O-CD 3.31Å; P119-P121 WeakPolarHBondContact O-CD 3.46Å; P119-W133 HydrophobicContact CB-CE3 4.48Å; P119-W133 HydrophobicContact CB-CH2 4.1Å; P119-W133 HydrophobicContact CB-CZ3 4.06Å; P119-W133 HydrophobicContact CG-CH2 3.65Å; P119-W133 HydrophobicContact CG-CZ2 4.3Å; P119-W133 HydrophobicContact CG-CZ3 3.95Å
120N91.3Very high93.3Very high71 Ų7145.2 Ų45.238%0.3828%0.276SS..  trans-11491-178.9-178.58.4000110.9N83 E122N83-N120 PolarHBondContact ND2-O 3Å; N83-N120 PolarHBondContact OD1-N 3.24Å; N83-N120 PolarHBondContact OD1-O 2.65Å; N120-E122 PolarHBondContact O-N 3.29Å; N120-E122 WeakPolarHBondContact OD1-CB 3.25Å; N120-E122 PolarHBondContact OD1-N 2.98Å
121P90.5Very high93.2Very high26 Ų2648.5 Ų48.517%0.16929%0.29CS..THydrogen-bonded Turntrans-70.7-8.3177.731.2-36000113.7P82 P119 A130 W133 K134P82-P121 HydrophobicContact CB-CB 4.31Å; P119-P121 VanDerWaalsContact O-CD 3.31Å; P119-P121 WeakPolarHBondContact O-CD 3.46Å; P121-A130 HydrophobicContact CB-CB 4.21Å; P121-W133 HydrophobicContact CB-CB 4.36Å; P121-K134 VanDerWaalsContact C-CE 3.46Å; P121-K134 HydrophobicContact CB-CG 3.98Å; P121-K134 HydrophobicContact CG-CG 4.32Å; P121-K134 WeakPolarHBondContact O-CE 3.43Å; P121-K134 PolarHBondContact O-NZ 3.17Å; P121-K134 VanDerWaalsContact O-NZ 3.17Å
122E90.2Very high92.9Very high135 Ų13549.4 Ų49.463%0.63129%0.291SS*.THydrogen-bonded Turntrans-78-23.8178-59.2-50.3122.800113.8N120 K134N120-E122 PolarHBondContact O-N 3.29Å; N120-E122 WeakPolarHBondContact OD1-CB 3.25Å; N120-E122 PolarHBondContact OD1-N 2.98Å; E122-K134 WeakPolarHBondContact OE1-CE 3.41Å; E122-K134 IonicContact OE1-NZ 2.82Å; E122-K134 PolarHBondContact OE1-NZ 2.87Å; E122-K134 IonicContact OE2-NZ 3.54Å; E122-K134 PolarHBondContact OE2-NZ 3.37Å
123D88.5Confident92.6Very high95 Ų9550.1 Ų50.151%0.50829%0.293SS..SBendtrans-127.569.4173.2-174.825.6000111.3N83N83-D123 PolarHBondContact ND2-O 3.16Å
124P91Very high92.4Very high49 Ų4953.4 Ų53.432%0.31831%0.307SS..  trans-84.7146.9-168.635.5-36.1000112.8P82 A130P82-P124 WeakPolarHBondContact O-CA 3.37Å; P124-A130 HydrophobicContact CB-CB 3.25Å; P124-A130 HydrophobicContact CG-CB 3.74Å
125L91.9Very high92.2Very high61 Ų6156.7 Ų56.732%0.31932%0.317SS..SBendtrans-91.6-29.9164.1-16165.2000111.6P82 D85 R89 C91P82-L125 PolarHBondContact O-N 2.92Å; D85-L125 HydrophobicContact CB-CD2 3.89Å; D85-L125 HydrophobicContact CB-CG 4.04Å; R89-L125 HydrophobicContact CB-CD2 3.84Å; R89-L125 WeakPolarHBondContact O-CD2 3.4Å; C91-L125 HydrophobicContact CB-CB 4.07Å
126A93.6Very high92Very high9 Ų959.7 Ų59.77%0.07433%0.334CS..SBendtrans-109.589.5176.600000108.9P82 D128 V129 A130P82-A126 PolarHBondContact O-N 3.17Å; A126-D128 VanDerWaalsContact C-N 3.31Å; A126-D128 PolarHBondContact O-N 3Å; A126-V129 HydrophobicContact CB-CB 3.86Å; A126-V129 HydrophobicContact CB-CG2 3.71Å; A126-V129 PolarHBondContact O-N 2.65Å; A126-A130 WeakPolarHBondContact O-CB 3.23Å; A126-A130 PolarHBondContact O-N 3.1Å
127A92.2Very high91.7Very high68 Ų6864.8 Ų64.856%0.56236%0.357SS*.Hα-helixtrans-61.7-37.5-174.600000112.9A130 E131A127-A130 PolarHBondContact O-N 2.83Å; A127-E131 WeakPolarHBondContact O-CB 3.38Å; A127-E131 PolarHBondContact O-N 3.29Å
128D91.8Very high91.4Very high77 Ų7765.3 Ų65.341%0.41237%0.365SS..Hα-helixtrans-60.8-46.1175.155-20.7000111.6K86 A126 Q132K86-D128 IonicContact NZ-OD2 2.69Å; K86-D128 PolarHBondContact NZ-OD2 2.93Å; A126-D128 VanDerWaalsContact C-N 3.31Å; A126-D128 PolarHBondContact O-N 3Å; D128-Q132 PolarHBondContact O-N 3Å
129V92.7Very high91.3Very high8 Ų864.9 Ų64.95%0.04835%0.352CS..Hα-helixtrans-63.7-47.2176.1-179.50000110.6Y80 A126 E131 Q132 W133Y80-V129 HydrophobicContact CD1-CG1 3.91Å; Y80-V129 HydrophobicContact CD2-CG1 4.4Å; Y80-V129 HydrophobicContact CD2-CG2 3.99Å; Y80-V129 HydrophobicContact CE1-CB 4.48Å; Y80-V129 HydrophobicContact CE1-CG1 3.68Å; Y80-V129 HydrophobicContact CE2-CB 4.32Å; Y80-V129 HydrophobicContact CE2-CG1 4.18Å; Y80-V129 HydrophobicContact CE2-CG2 3.56Å; Y80-V129 HydrophobicContact CG-CG1 4.26Å; A126-V129 HydrophobicContact CB-CB 3.86Å; A126-V129 HydrophobicContact CB-CG2 3.71Å; A126-V129 PolarHBondContact O-N 2.65Å; V129-E131 PolarHBondContact O-N 3.33Å; V129-Q132 PolarHBondContact O-N 2.9Å; V129-W133 PolarHBondContact O-N 2.87Å
130A93.7Very high91.2Very high2 Ų263.7 Ų63.72%0.01734%0.344CS..Hα-helixtrans-65-40.7-17700000113.1P82 P121 P124 A126 A127 Q132 W133 K134P82-A130 HydrophobicContact CB-CB 3.84Å; P121-A130 HydrophobicContact CB-CB 4.21Å; P124-A130 HydrophobicContact CB-CB 3.25Å; P124-A130 HydrophobicContact CG-CB 3.74Å; A126-A130 WeakPolarHBondContact O-CB 3.23Å; A126-A130 PolarHBondContact O-N 3.1Å; A127-A130 PolarHBondContact O-N 2.83Å; A130-Q132 VanDerWaalsContact C-N 3.28Å; A130-Q132 PolarHBondContact O-N 3.35Å; A130-W133 PolarHBondContact O-N 2.87Å; A130-K134 WeakPolarHBondContact O-CG 3.39Å; A130-K134 PolarHBondContact O-N 3.46Å
131E93.4Very high91Very high128 Ų12862.6 Ų62.660%0.59834%0.338SS*.Hα-helixtrans-58.1-43.8173.3179.9173.9-16300110.9A127 V129 K134 N135A127-E131 WeakPolarHBondContact O-CB 3.38Å; A127-E131 PolarHBondContact O-N 3.29Å; V129-E131 PolarHBondContact O-N 3.33Å; E131-K134 PolarHBondContact O-N 2.99Å; E131-N135 WeakPolarHBondContact CG-ND2 3.45Å; E131-N135 WeakPolarHBondContact O-CB 3.37Å; E131-N135 VanDerWaalsContact O-CG 3.22Å; E131-N135 PolarHBondContact O-N 3.12Å; E131-N135 PolarHBondContact O-ND2 2.73Å
132Q91.3Very high90.8Very high51 Ų5167.2 Ų67.224%0.23835%0.352CS..Hα-helixtrans-67-40.8177.1-170.1171.5-4.600112.8Y80 D128 V129 A130 K134 N135 N136 E139 A140Y80-Q132 PolarHBondContact OH-OE1 2.91Å; D128-Q132 PolarHBondContact O-N 3Å; V129-Q132 PolarHBondContact O-N 2.9Å; A130-Q132 VanDerWaalsContact C-N 3.28Å; A130-Q132 PolarHBondContact O-N 3.35Å; Q132-K134 VanDerWaalsContact C-N 3.29Å; Q132-K134 PolarHBondContact O-N 3.32Å; Q132-N135 PolarHBondContact O-N 3.02Å; Q132-N136 CarbonylContact O-C 3.26Å; Q132-N136 VanDerWaalsContact O-C 3.26Å; Q132-N136 PolarHBondContact O-N 3.44Å; Q132-E139 VanDerWaalsContact NE2-CG 3.34Å; Q132-A140 HydrophobicContact CG-CB 4.19Å
133W91.4Very high90.7Very high15 Ų1562.6 Ų62.66%0.05733%0.331CS..Hα-helixtrans-58.4-41.5173.9-8970.8000111.9P50 F51 Y80 P82 P119 P121 V129 A130 E137 A140 L141P50-W133 HydrophobicContact CB-CH2 3.86Å; P50-W133 HydrophobicContact CB-CZ2 4.43Å; P50-W133 HydrophobicContact CG-CH2 3.62Å; P50-W133 HydrophobicContact CG-CZ3 4.28Å; F51-W133 HydrophobicContact CZ-CZ2 4.28Å; Y80-W133 AromaticContact CD1-NE1 3.96Å; P82-W133 HydrophobicContact CG-CD2 4.47Å; P119-W133 HydrophobicContact CB-CE3 4.48Å; P119-W133 HydrophobicContact CB-CH2 4.1Å; P119-W133 HydrophobicContact CB-CZ3 4.06Å; P119-W133 HydrophobicContact CG-CH2 3.65Å; P119-W133 HydrophobicContact CG-CZ2 4.3Å; P119-W133 HydrophobicContact CG-CZ3 3.95Å; P121-W133 HydrophobicContact CB-CB 4.36Å; V129-W133 PolarHBondContact O-N 2.87Å; A130-W133 PolarHBondContact O-N 2.87Å; W133-E137 HydrophobicContact CE3-CG 4.01Å; W133-E137 HydrophobicContact CZ3-CG 4.2Å; W133-E137 WeakPolarHBondContact O-CA 3.45Å; W133-E137 PolarHBondContact O-N 3.43Å; W133-A140 HydrophobicContact CB-CB 4.45Å; W133-A140 VanDerWaalsContact CD1-CB 3.42Å; W133-A140 HydrophobicContact CD2-CB 4.22Å; W133-A140 HydrophobicContact CG-CB 3.81Å; W133-L141 HydrophobicContact CH2-CD2 3.49Å; W133-L141 VanDerWaalsContact CH2-CD2 3.49Å; W133-L141 HydrophobicContact CZ2-CD2 3.86Å; W133-L141 HydrophobicContact CZ3-CD2 4.12Å
134K91.6Very high90.6Very high102 Ų10258.4 Ų58.444%0.44331%0.31SS..Hα-helixtrans-68.7-40.1177.4-69.6-178.4-170.6-156.20112.8P121 E122 A130 E131 Q132P121-K134 VanDerWaalsContact C-CE 3.46Å; P121-K134 HydrophobicContact CB-CG 3.98Å; P121-K134 HydrophobicContact CG-CG 4.32Å; P121-K134 WeakPolarHBondContact O-CE 3.43Å; P121-K134 PolarHBondContact O-NZ 3.17Å; P121-K134 VanDerWaalsContact O-NZ 3.17Å; E122-K134 WeakPolarHBondContact OE1-CE 3.41Å; E122-K134 IonicContact OE1-NZ 2.82Å; E122-K134 PolarHBondContact OE1-NZ 2.87Å; E122-K134 IonicContact OE2-NZ 3.54Å; E122-K134 PolarHBondContact OE2-NZ 3.37Å; A130-K134 WeakPolarHBondContact O-CG 3.39Å; A130-K134 PolarHBondContact O-N 3.46Å; E131-K134 PolarHBondContact O-N 2.99Å; Q132-K134 VanDerWaalsContact C-N 3.29Å; Q132-K134 PolarHBondContact O-N 3.32Å
135N93.3Very high90.2Very high124 Ų12459.3 Ų59.366%0.66331%0.313SS*.Hα-helixtrans-82.6-36.2-174.8-69.6-24.6000113.2E131 Q132E131-N135 WeakPolarHBondContact CG-ND2 3.45Å; E131-N135 WeakPolarHBondContact O-CB 3.37Å; E131-N135 VanDerWaalsContact O-CG 3.22Å; E131-N135 PolarHBondContact O-N 3.12Å; E131-N135 PolarHBondContact O-ND2 2.73Å; Q132-N135 PolarHBondContact O-N 3.02Å
136N91.1Very high89.8Confident82 Ų8261.3 Ų61.344%0.43932%0.32SS..  trans-157.379.6-178.2-170.8-17.5000110.5Q132 A138 E139 A140Q132-N136 CarbonylContact O-C 3.26Å; Q132-N136 VanDerWaalsContact O-C 3.26Å; Q132-N136 PolarHBondContact O-N 3.44Å; N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 2.92Å; N136-E139 HydrophobicContact CB-CB 4.09Å; N136-E139 VanDerWaalsContact CG-CB 3.4Å; N136-E139 WeakPolarHBondContact ND2-CB 3.5Å; N136-E139 PolarHBondContact O-N 3.32Å; N136-E139 WeakPolarHBondContact OD1-CB 3.41Å; N136-E139 PolarHBondContact OD1-N 2.95Å; N136-A140 PolarHBondContact O-N 3.5Å
137E87.6Confident89.2Confident107 Ų10764.2 Ų64.250%0.533%0.331SS..Hα-helixtrans-53.9-44.4178.5-172.4176-165.700111.7W133 E139 A140 L141W133-E137 HydrophobicContact CE3-CG 4.01Å; W133-E137 HydrophobicContact CZ3-CG 4.2Å; W133-E137 WeakPolarHBondContact O-CA 3.45Å; W133-E137 PolarHBondContact O-N 3.43Å; E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 2.91Å; E137-A140 WeakPolarHBondContact O-CA 3.35Å; E137-A140 WeakPolarHBondContact O-CB 3.42Å; E137-A140 PolarHBondContact O-N 3.39Å; E137-L141 HydrophobicContact CG-CD1 4.15Å; E137-L141 HydrophobicContact CG-CG 4.21Å; E137-L141 VanDerWaalsContact O-CG 3.23Å; E137-L141 WeakPolarHBondContact O-CG 3.45Å; E137-L141 PolarHBondContact O-N 2.76Å
138A88.5Confident88.5Confident71 Ų7162.2 Ų62.259%0.58731%0.311SS*.Hα-helixtrans-57.7-42.618000000112.7N136 R142N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 2.92Å; A138-R142 WeakPolarHBondContact O-CB 3.31Å; A138-R142 PolarHBondContact O-N 3.26Å
139E90.5Very high87.1Confident57 Ų5765.2 Ų65.227%0.26632%0.322SS..Hα-helixtrans-70-39.1175.517962.3-173.400111.8Q132 N136 E137 L141 R142 I143Q132-E139 VanDerWaalsContact NE2-CG 3.34Å; N136-E139 HydrophobicContact CB-CB 4.09Å; N136-E139 VanDerWaalsContact CG-CB 3.4Å; N136-E139 WeakPolarHBondContact ND2-CB 3.5Å; N136-E139 PolarHBondContact O-N 3.32Å; N136-E139 WeakPolarHBondContact OD1-CB 3.41Å; N136-E139 PolarHBondContact OD1-N 2.95Å; E137-E139 VanDerWaalsContact C-N 3.31Å; E137-E139 PolarHBondContact O-N 2.91Å; E139-L141 VanDerWaalsContact C-N 3.31Å; E139-L141 PolarHBondContact O-N 3.42Å; E139-R142 WeakPolarHBondContact O-CB 3.36Å; E139-R142 PolarHBondContact O-N 3.2Å; E139-R142 IonicContact OE1-CZ 3.04Å; E139-R142 IonicContact OE1-NE 3Å; E139-R142 PolarHBondContact OE1-NE 3.23Å; E139-R142 IonicContact OE1-NH2 3.83Å; E139-R142 PolarHBondContact OE1-NH2 3.23Å; E139-R142 IonicContact OE2-CZ 2.64Å; E139-R142 IonicContact OE2-NE 3.26Å; E139-R142 PolarHBondContact OE2-NE 2.95Å; E139-R142 IonicContact OE2-NH2 2.65Å; E139-I143 HydrophobicContact CG-CD1 4.49Å; E139-I143 WeakPolarHBondContact O-CG1 3.24Å; E139-I143 PolarHBondContact O-N 2.84Å
140A89Confident85.5Confident0 Ų068.6 Ų68.60%035%0.351CS..Hα-helixtrans-60.4-42.1175.500000111.9Y80 Q132 W133 N136 E137 I143 G144Y80-A140 WeakPolarHBondContact CD1-O 3.34Å; Y80-A140 HydrophobicContact CE1-CB 4.08Å; Q132-A140 HydrophobicContact CG-CB 4.19Å; W133-A140 HydrophobicContact CB-CB 4.45Å; W133-A140 VanDerWaalsContact CD1-CB 3.42Å; W133-A140 HydrophobicContact CD2-CB 4.22Å; W133-A140 HydrophobicContact CG-CB 3.81Å; N136-A140 PolarHBondContact O-N 3.5Å; E137-A140 WeakPolarHBondContact O-CA 3.35Å; E137-A140 WeakPolarHBondContact O-CB 3.42Å; E137-A140 PolarHBondContact O-N 3.39Å; A140-I143 PolarHBondContact O-N 3.2Å; A140-G144 PolarHBondContact O-N 3.33Å
141L86.5Confident83.5Confident47 Ų4773.1 Ų73.125%0.24637%0.37CS..Hα-helixtrans-63.7-42.8173.3-64.6178.8000111.6P50 W133 E137 E139 I143 G144 N145P50-L141 HydrophobicContact CB-CD2 3.28Å; P50-L141 HydrophobicContact CG-CD2 3.41Å; P50-L141 VanDerWaalsContact CG-CD2 3.41Å; W133-L141 HydrophobicContact CH2-CD2 3.49Å; W133-L141 VanDerWaalsContact CH2-CD2 3.49Å; W133-L141 HydrophobicContact CZ2-CD2 3.86Å; W133-L141 HydrophobicContact CZ3-CD2 4.12Å; E137-L141 HydrophobicContact CG-CD1 4.15Å; E137-L141 HydrophobicContact CG-CG 4.21Å; E137-L141 VanDerWaalsContact O-CG 3.23Å; E137-L141 WeakPolarHBondContact O-CG 3.45Å; E137-L141 PolarHBondContact O-N 2.76Å; E139-L141 VanDerWaalsContact C-N 3.31Å; E139-L141 PolarHBondContact O-N 3.42Å; L141-I143 VanDerWaalsContact C-N 3.33Å; L141-I143 PolarHBondContact O-N 2.85Å; L141-G144 PolarHBondContact O-N 3.1Å; L141-N145 PolarHBondContact O-N 3.32Å; L141-N145 PolarHBondContact O-ND2 3.42Å
142R87.6Confident81.1Confident123 Ų12376 Ų7646%0.46440%0.397SS..Hα-helixtrans-59.8-43.8175.8-166.5-17070.4805.8111.5A138 E139 N145 H146A138-R142 WeakPolarHBondContact O-CB 3.31Å; A138-R142 PolarHBondContact O-N 3.26Å; E139-R142 WeakPolarHBondContact O-CB 3.36Å; E139-R142 PolarHBondContact O-N 3.2Å; E139-R142 IonicContact OE1-CZ 3.04Å; E139-R142 IonicContact OE1-NE 3Å; E139-R142 PolarHBondContact OE1-NE 3.23Å; E139-R142 IonicContact OE1-NH2 3.83Å; E139-R142 PolarHBondContact OE1-NH2 3.23Å; E139-R142 IonicContact OE2-CZ 2.64Å; E139-R142 IonicContact OE2-NE 3.26Å; E139-R142 PolarHBondContact OE2-NE 2.95Å; E139-R142 IonicContact OE2-NH2 2.65Å; R142-N145 PolarHBondContact O-N 3.19Å; R142-H146 PolarHBondContact NH1-NE2 3.04Å; R142-H146 PolarHBondContact O-CD2 3.42Å
143I87.7Confident80.6Confident39 Ų3977.3 Ų77.320%0.241%0.405CS..Hα-helixtrans-63.1-45.7174.1-68.2180000110.4Y80 E139 A140 L141 N145 H146 F147Y80-I143 HydrophobicContact CD1-CB 4.32Å; Y80-I143 HydrophobicContact CD1-CG2 4.02Å; Y80-I143 HydrophobicContact CD2-CG2 3.87Å; Y80-I143 HydrophobicContact CE1-CB 4.29Å; Y80-I143 HydrophobicContact CE1-CG2 4.1Å; Y80-I143 HydrophobicContact CE2-CG2 3.95Å; Y80-I143 HydrophobicContact CG-CG2 3.92Å; E139-I143 HydrophobicContact CG-CD1 4.49Å; E139-I143 WeakPolarHBondContact O-CG1 3.24Å; E139-I143 PolarHBondContact O-N 2.84Å; A140-I143 PolarHBondContact O-N 3.2Å; L141-I143 VanDerWaalsContact C-N 3.33Å; L141-I143 PolarHBondContact O-N 2.85Å; I143-N145 VanDerWaalsContact C-N 3.29Å; I143-N145 PolarHBondContact O-N 2.86Å; I143-H146 WeakPolarHBondContact O-CB 3.04Å; I143-H146 PolarHBondContact O-N 2.95Å; I143-H146 VanDerWaalsContact O-N 3.08Å; I143-F147 HydrophobicContact CG2-CD2 4.47Å; I143-F147 HydrophobicContact CG2-CE2 3.93Å; I143-F147 WeakPolarHBondContact O-CD2 3.36Å
144G85.1Confident80Confident6 Ų680.6 Ų80.66%0.06242%0.423CS..Hα-helixtrans-55.5-41.717700000113.3A140 L141 H146 F147 L148A140-G144 PolarHBondContact O-N 3.33Å; L141-G144 PolarHBondContact O-N 3.1Å; G144-H146 VanDerWaalsContact C-N 3.27Å; G144-H146 PolarHBondContact O-N 3.4Å; G144-F147 WeakPolarHBondContact O-CB 2.91Å; G144-F147 PolarHBondContact O-N 3.32Å; G144-L148 PolarHBondContact O-N 3Å
145N83.4Confident79.4Confident69 Ų6979.4 Ų79.437%0.36942%0.422SS..Hα-helixtrans-60.5-32177-78.2-39.8000113.5L141 R142 I143 F147 L148 Q149L141-N145 PolarHBondContact O-N 3.32Å; L141-N145 PolarHBondContact O-ND2 3.42Å; R142-N145 PolarHBondContact O-N 3.19Å; I143-N145 VanDerWaalsContact C-N 3.29Å; I143-N145 PolarHBondContact O-N 2.86Å; N145-F147 VanDerWaalsContact C-N 3.25Å; N145-F147 PolarHBondContact O-N 2.86Å; N145-L148 WeakPolarHBondContact O-CB 3.41Å; N145-L148 PolarHBondContact O-N 2.81Å; N145-L148 VanDerWaalsContact O-N 3.12Å; N145-Q149 WeakPolarHBondContact O-CG 3.49Å; N145-Q149 PolarHBondContact O-N 3.28Å; N145-Q149 VanDerWaalsContact O-N 3.13Å
146H84.7Confident78.6Confident103 Ų10376.8 Ų76.848%0.47741%0.408SS..Hα-helixtrans-63.2-32.5173.1-74.4-73.9000112.3R142 I143 G144 L148 A150R142-H146 PolarHBondContact NH1-NE2 3.04Å; R142-H146 PolarHBondContact O-CD2 3.42Å; I143-H146 WeakPolarHBondContact O-CB 3.04Å; I143-H146 PolarHBondContact O-N 2.95Å; I143-H146 VanDerWaalsContact O-N 3.08Å; G144-H146 VanDerWaalsContact C-N 3.27Å; G144-H146 PolarHBondContact O-N 3.4Å; H146-L148 VanDerWaalsContact C-N 3.3Å; H146-L148 PolarHBondContact O-N 3.45Å; H146-A150 PolarHBondContact O-N 2.95Å
147F79.3Confident77.8Confident70 Ų7076.4 Ų76.431%0.30741%0.406SS..Hα-helixtrans-71.9-24.8175.5-72-96.2000113.1K78 Y80 I143 G144 N145K78-F147 HydrophobicContact CB-CD1 4.14Å; K78-F147 HydrophobicContact CB-CE1 4.4Å; Y80-F147 AromaticContact CD2-CE2 3.98Å; Y80-F147 HydrophobicContact CD2-CE2 3.98Å; Y80-F147 HydrophobicContact CD2-CZ 4.44Å; Y80-F147 HydrophobicContact CG-CE2 4.29Å; I143-F147 HydrophobicContact CG2-CD2 4.47Å; I143-F147 HydrophobicContact CG2-CE2 3.93Å; I143-F147 WeakPolarHBondContact O-CD2 3.36Å; G144-F147 WeakPolarHBondContact O-CB 2.91Å; G144-F147 PolarHBondContact O-N 3.32Å; N145-F147 VanDerWaalsContact C-N 3.25Å; N145-F147 PolarHBondContact O-N 2.86Å
148L78.7Confident77.1Confident26 Ų2674.4 Ų74.414%0.13640%0.4CS..Hα-helixtrans-75.7-45175.8-52.8-175.7000110.8F56 G144 N145 H146 A150F56-L148 HydrophobicContact CE1-CD2 3.83Å; F56-L148 HydrophobicContact CE2-CD2 4.45Å; F56-L148 HydrophobicContact CZ-CD2 3.41Å; F56-L148 VanDerWaalsContact CZ-CD2 3.41Å; G144-L148 PolarHBondContact O-N 3Å; N145-L148 WeakPolarHBondContact O-CB 3.41Å; N145-L148 PolarHBondContact O-N 2.81Å; N145-L148 VanDerWaalsContact O-N 3.12Å; H146-L148 VanDerWaalsContact C-N 3.3Å; H146-L148 PolarHBondContact O-N 3.45Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 3.17Å
149Q62.5Low76.3Confident140 Ų14074.6 Ų74.665%0.65439%0.387SS*.Hα-helixtrans-68.7-27.2-177-67.3179.29.900113.3N145 K151N145-Q149 WeakPolarHBondContact O-CG 3.49Å; N145-Q149 PolarHBondContact O-N 3.28Å; N145-Q149 VanDerWaalsContact O-N 3.13Å; Q149-K151 PolarHBondContact O-N 2.87Å
150A58Low75.2Confident78 Ų7876 Ų7665%0.64540%0.396SS*.THydrogen-bonded Turntrans-72.34.5-178.300000114.9H146 L148H146-A150 PolarHBondContact O-N 2.95Å; L148-A150 VanDerWaalsContact C-N 3.3Å; L148-A150 PolarHBondContact O-N 3.17Å
151K52Low74.1Confident97 Ų9782.3 Ų82.342%0.42243%0.429SS..THydrogen-bonded Turntrans-134.72.8-169.5-67.5-178.8-176.5161.10115.8T77 K78 Q149T77-K151 HydrophobicContact CG2-CD 3.68Å; K78-K151 PolarHBondContact O-NZ 3.05Å; Q149-K151 PolarHBondContact O-N 2.87Å
152T43.3Very low72.9Confident190 Ų19085.5 Ų85.5100%1.16645%0.446SS*.  trans-92.70164.8-50.80000108.4

Retrieved 152 of 152 residues in 253.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).