A0A087WVS2_HUMAN Loading...

Carnosine dipeptidase 2

AlphaFold DB , UniProt , Accession A0A087WVS2, Species HUMAN (Homo sapiens, Human), Gene CNDP2, Length 124 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
1E81.8Confident96.6Very high168 Ų16871.4 Ų71.479%0.78534%0.341SS*.  0-56.40-15353.7-159.300114.7R3 R4 M5E1-R3 PolarHBondContact O-N 3.05Å; E1-R4 WeakPolarHBondContact O-CB 3.21Å; E1-R4 PolarHBondContact O-N 2.81Å; E1-R4 VanDerWaalsContact O-N 3.08Å; E1-R4 IonicContact OE1-NH1 3.45Å; E1-R4 PolarHBondContact OE1-NH1 2.7Å; E1-M5 PolarHBondContact O-N 2.89Å; E1-M5 VanDerWaalsContact O-N 3.14Å
2I95.4Very high96.7Very high72 Ų7269.3 Ų69.337%0.36933%0.333SS..Hα-helixtrans-58.3-46-174.9-52.7173.3000112.6R4 M5 M6 P39 D62I2-R4 VanDerWaalsContact C-N 3.28Å; I2-R4 PolarHBondContact O-N 3.08Å; I2-M5 WeakPolarHBondContact O-CA 3.13Å; I2-M5 WeakPolarHBondContact O-CB 2.84Å; I2-M5 PolarHBondContact O-N 3.17Å; I2-M6 WeakPolarHBondContact O-CG 3.31Å; I2-M6 PolarHBondContact O-N 3.19Å; I2-P39 HydrophobicContact CB-CB 4.24Å; I2-P39 HydrophobicContact CB-CG 3.98Å; I2-P39 HydrophobicContact CD1-CG 3.98Å; I2-P39 HydrophobicContact CG2-CB 3.59Å; I2-P39 HydrophobicContact CG2-CG 3.62Å; I2-D62 HydrophobicContact CD1-CB 4.17Å; I2-D62 HydrophobicContact CG2-CB 4.41Å
3R97.4Very high96.8Very high111 Ų11166.1 Ų66.142%0.41932%0.32SS..Hα-helixtrans-54.4-42.6176-180175.8-67-85.6-2.7112.9E1 M5 M6 E7E1-R3 PolarHBondContact O-N 3.05Å; R3-M5 VanDerWaalsContact C-N 3.32Å; R3-M5 PolarHBondContact O-N 3.14Å; R3-M6 WeakPolarHBondContact O-CB 3.35Å; R3-M6 PolarHBondContact O-N 3.31Å; R3-E7 WeakPolarHBondContact O-CG 3.46Å; R3-E7 PolarHBondContact O-N 3.31Å
4R98.1Very high96.9Very high154 Ų15470.6 Ų70.658%0.58134%0.337SS*.Hα-helixtrans-63.1-38.9176.8-177.8-173.6173.5-146.21.8111.3E1 I2 M6 E7 V8E1-R4 WeakPolarHBondContact O-CB 3.21Å; E1-R4 PolarHBondContact O-N 2.81Å; E1-R4 VanDerWaalsContact O-N 3.08Å; E1-R4 IonicContact OE1-NH1 3.45Å; E1-R4 PolarHBondContact OE1-NH1 2.7Å; I2-R4 VanDerWaalsContact C-N 3.28Å; I2-R4 PolarHBondContact O-N 3.08Å; R4-M6 VanDerWaalsContact C-N 3.33Å; R4-E7 WeakPolarHBondContact O-CB 3.42Å; R4-E7 PolarHBondContact O-N 3.08Å; R4-V8 WeakPolarHBondContact O-CG2 3.03Å; R4-V8 PolarHBondContact O-N 2.76Å
5M98.4Very high96.9Very high46 Ų4675.7 Ų75.723%0.22736%0.361CS..Hα-helixtrans-64.6-38.3175.4-164.665.2-115.400111.8E1 I2 R3 E7 V8 A9 L61E1-M5 PolarHBondContact O-N 2.89Å; E1-M5 VanDerWaalsContact O-N 3.14Å; I2-M5 WeakPolarHBondContact O-CA 3.13Å; I2-M5 WeakPolarHBondContact O-CB 2.84Å; I2-M5 PolarHBondContact O-N 3.17Å; R3-M5 VanDerWaalsContact C-N 3.32Å; R3-M5 PolarHBondContact O-N 3.14Å; M5-E7 VanDerWaalsContact C-N 3.31Å; M5-E7 PolarHBondContact O-N 3.46Å; M5-V8 HydrophobicContact CE-CB 3.84Å; M5-V8 HydrophobicContact CE-CG1 3.78Å; M5-V8 PolarHBondContact O-N 3.39Å; M5-A9 PolarHBondContact O-N 3.32Å; M5-A9 VanDerWaalsContact O-N 3.13Å; M5-L61 HydrophobicContact CG-CB 3.87Å; M5-L61 HydrophobicContact CG-CD1 4.31Å; M5-L61 HydrophobicContact CG-CD2 4.31Å; M5-L61 HydrophobicContact CG-CG 4.4Å
6M98.4Very high96.8Very high22 Ų2271.8 Ų71.811%0.10834%0.342CS..Hα-helixtrans-62.2-39.6172.8-53.3-52.4-6200111.6I2 R3 R4 A9 A10 L22 P40 L42 L61I2-M6 WeakPolarHBondContact O-CG 3.31Å; I2-M6 PolarHBondContact O-N 3.19Å; R3-M6 WeakPolarHBondContact O-CB 3.35Å; R3-M6 PolarHBondContact O-N 3.31Å; R4-M6 VanDerWaalsContact C-N 3.33Å; M6-A9 PolarHBondContact O-N 3.48Å; M6-A10 VanDerWaalsContact O-CB 3.24Å; M6-A10 WeakPolarHBondContact O-CB 3.32Å; M6-A10 PolarHBondContact O-N 3.42Å; M6-L22 HydrophobicContact CB-CD2 4.05Å; M6-P40 HydrophobicContact CB-CG 4.2Å; M6-P40 HydrophobicContact CG-CG 4.09Å; M6-L42 HydrophobicContact CE-CB 3.51Å; M6-L61 HydrophobicContact CE-CD1 4.23Å; M6-L61 HydrophobicContact SD-CB 4Å; M6-L61 HydrophobicContact SD-CD1 3.8Å; M6-L61 HydrophobicContact SD-CG 4.42Å
7E98.4Very high96.8Very high98 Ų9871.4 Ų71.446%0.45836%0.362SS..Hα-helixtrans-66-37177.5-70.2163.1-176.100112.5R3 R4 M5 A10 A11 L22R3-E7 WeakPolarHBondContact O-CG 3.46Å; R3-E7 PolarHBondContact O-N 3.31Å; R4-E7 WeakPolarHBondContact O-CB 3.42Å; R4-E7 PolarHBondContact O-N 3.08Å; M5-E7 VanDerWaalsContact C-N 3.31Å; M5-E7 PolarHBondContact O-N 3.46Å; E7-A10 PolarHBondContact O-N 3.39Å; E7-A11 WeakPolarHBondContact O-CB 3.33Å; E7-A11 PolarHBondContact O-N 2.91Å; E7-L22 HydrophobicContact CG-CD1 4.11Å
8V98.6Very high96.7Very high64 Ų6468.1 Ų68.139%0.38835%0.349SS..Hα-helixtrans-62.8-52.2173.9171.40000110.6R4 M5 A10 A11 D12R4-V8 WeakPolarHBondContact O-CG2 3.03Å; R4-V8 PolarHBondContact O-N 2.76Å; M5-V8 HydrophobicContact CE-CB 3.84Å; M5-V8 HydrophobicContact CE-CG1 3.78Å; M5-V8 PolarHBondContact O-N 3.39Å; V8-A10 VanDerWaalsContact C-N 3.25Å; V8-A10 PolarHBondContact O-N 3.31Å; V8-A11 WeakPolarHBondContact O-CA 3.24Å; V8-A11 WeakPolarHBondContact O-CB 3.49Å; V8-A11 PolarHBondContact O-N 3.1Å; V8-D12 PolarHBondContact O-N 3.19Å; V8-D12 VanDerWaalsContact O-N 3.09Å
9A98.4Very high96.8Very high8 Ų868.5 Ų68.57%0.06636%0.359CS..Hα-helixtrans-62.2-35.117800000112.3M5 M6 A11 D12 V13 L42 L61M5-A9 PolarHBondContact O-N 3.32Å; M5-A9 VanDerWaalsContact O-N 3.13Å; M6-A9 PolarHBondContact O-N 3.48Å; A9-A11 VanDerWaalsContact C-N 3.32Å; A9-A11 PolarHBondContact O-N 3.23Å; A9-D12 PolarHBondContact O-N 3.43Å; A9-V13 WeakPolarHBondContact O-CG2 3.19Å; A9-V13 PolarHBondContact O-N 2.89Å; A9-V13 VanDerWaalsContact O-N 3.14Å; A9-L42 HydrophobicContact CB-CD1 3.9Å; A9-L61 HydrophobicContact CB-CD1 3.54Å
10A98.6Very high96.9Very high4 Ų466.9 Ų66.93%0.03335%0.352CS..Hα-helixtrans-64.9-36.5174.200000112.1M6 E7 V8 K14 V20 L22 L42M6-A10 VanDerWaalsContact O-CB 3.24Å; M6-A10 WeakPolarHBondContact O-CB 3.32Å; M6-A10 PolarHBondContact O-N 3.42Å; E7-A10 PolarHBondContact O-N 3.39Å; V8-A10 VanDerWaalsContact C-N 3.25Å; V8-A10 PolarHBondContact O-N 3.31Å; A10-K14 VanDerWaalsContact O-CG 3.31Å; A10-K14 WeakPolarHBondContact O-CG 3.42Å; A10-K14 PolarHBondContact O-N 2.89Å; A10-K14 VanDerWaalsContact O-N 3.08Å; A10-V20 HydrophobicContact CB-CB 4.48Å; A10-V20 HydrophobicContact CB-CG2 4.1Å; A10-L22 HydrophobicContact CB-CD2 4.36Å; A10-L42 HydrophobicContact CB-CD1 3.79Å
11A98.6Very high96.9Very high38 Ų3869.4 Ų69.431%0.31436%0.362SS..Hα-helixtrans-64.9-42174.800000111.3E7 V8 A9 K14 Q15E7-A11 WeakPolarHBondContact O-CB 3.33Å; E7-A11 PolarHBondContact O-N 2.91Å; V8-A11 WeakPolarHBondContact O-CA 3.24Å; V8-A11 WeakPolarHBondContact O-CB 3.49Å; V8-A11 PolarHBondContact O-N 3.1Å; A9-A11 VanDerWaalsContact C-N 3.32Å; A9-A11 PolarHBondContact O-N 3.23Å; A11-K14 WeakPolarHBondContact O-CB 3.3Å; A11-K14 PolarHBondContact O-N 3.48Å; A11-Q15 VanDerWaalsContact O-CG 3.3Å; A11-Q15 WeakPolarHBondContact O-CG 3.43Å; A11-Q15 PolarHBondContact O-N 3.5Å
12D98.3Very high97.7Very high46 Ų4664.5 Ų64.525%0.24634%0.34CS..Hα-helixtrans-61.9-46177.8-65.5-21.2000111.7V8 A9 K14 Q15 L16 I102V8-D12 PolarHBondContact O-N 3.19Å; V8-D12 VanDerWaalsContact O-N 3.09Å; A9-D12 PolarHBondContact O-N 3.43Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 3.37Å; D12-Q15 PolarHBondContact O-N 3.39Å; D12-L16 WeakPolarHBondContact O-CG 3.36Å; D12-L16 PolarHBondContact O-N 2.69Å; D12-I102 HydrophobicContact CB-CD1 3.88Å; D12-I102 HydrophobicContact CB-CG1 4.45Å; D12-I102 HydrophobicContact CB-CG2 3.81Å
13V98Very high97.9Very high28 Ų2862.9 Ų62.917%0.1733%0.334CS..Hα-helixtrans-61.8-39.6176.1176.70000111.4A9 L16 G18 V20A9-V13 WeakPolarHBondContact O-CG2 3.19Å; A9-V13 PolarHBondContact O-N 2.89Å; A9-V13 VanDerWaalsContact O-N 3.14Å; V13-L16 PolarHBondContact O-N 2.81Å; V13-G18 WeakPolarHBondContact O-CA 3.4Å; V13-G18 PolarHBondContact O-N 3.05Å; V13-V20 HydrophobicContact CB-CG1 3.59Å; V13-V20 HydrophobicContact CG1-CG1 3.46Å; V13-V20 VanDerWaalsContact CG1-CG1 3.46Å; V13-V20 HydrophobicContact CG2-CG1 4.44Å
14K97.9Very high97.9Very high129 Ų12963.2 Ų63.256%0.56134%0.344SS*.Hα-helixtrans-64.7-40.7174.4-75.2174.6179.2177.60112.3A10 A11 D12 L16 G17 V20A10-K14 VanDerWaalsContact O-CG 3.31Å; A10-K14 WeakPolarHBondContact O-CG 3.42Å; A10-K14 PolarHBondContact O-N 2.89Å; A10-K14 VanDerWaalsContact O-N 3.08Å; A11-K14 WeakPolarHBondContact O-CB 3.3Å; A11-K14 PolarHBondContact O-N 3.48Å; D12-K14 VanDerWaalsContact C-N 3.31Å; D12-K14 PolarHBondContact O-N 3.37Å; K14-L16 VanDerWaalsContact C-N 3.26Å; K14-L16 PolarHBondContact O-N 3.03Å; K14-G17 WeakPolarHBondContact O-CA 3.44Å; K14-G17 PolarHBondContact O-N 3.39Å; K14-V20 HydrophobicContact CD-CG2 4.07Å; K14-V20 HydrophobicContact CG-CG1 4.46Å; K14-V20 HydrophobicContact CG-CG2 3.89Å
15Q97Very high97.9Very high147 Ų14759.5 Ų59.569%0.68734%0.335SS*.Hα-helixtrans-63.8-33.9177.8-75.2174.521.700111.9A11 D12 G17A11-Q15 VanDerWaalsContact O-CG 3.3Å; A11-Q15 WeakPolarHBondContact O-CG 3.43Å; A11-Q15 PolarHBondContact O-N 3.5Å; D12-Q15 PolarHBondContact O-N 3.39Å; Q15-G17 PolarHBondContact O-N 2.89Å
16L95.7Very high97.9Very high13 Ų1358.9 Ų58.97%0.06834%0.34CS..THydrogen-bonded Turntrans-71-0.7170.8-65.4171000113.3D12 V13 K14 L46 I102 L105 E106 Q109D12-L16 WeakPolarHBondContact O-CG 3.36Å; D12-L16 PolarHBondContact O-N 2.69Å; V13-L16 PolarHBondContact O-N 2.81Å; K14-L16 VanDerWaalsContact C-N 3.26Å; K14-L16 PolarHBondContact O-N 3.03Å; L16-L46 HydrophobicContact CB-CD1 4.25Å; L16-L46 HydrophobicContact CB-CD2 4.33Å; L16-L46 WeakPolarHBondContact O-CD1 3.34Å; L16-I102 HydrophobicContact CD1-CG2 4.33Å; L16-L105 HydrophobicContact CD1-CB 3.86Å; L16-L105 HydrophobicContact CD1-CD1 4.09Å; L16-L105 HydrophobicContact CD2-CB 4.4Å; L16-E106 HydrophobicContact CD2-CB 3.86Å; L16-E106 HydrophobicContact CD2-CG 4.13Å; L16-Q109 PolarHBondContact O-NE2 3.3Å
17G96.1Very high97.9Very high65 Ų6564.7 Ų64.767%0.6736%0.364SS*.THydrogen-bonded Turntrans83.215.2-177.700000114.4K14 Q15K14-G17 WeakPolarHBondContact O-CA 3.44Å; K14-G17 PolarHBondContact O-N 3.39Å; Q15-G17 PolarHBondContact O-N 2.89Å
18G95.8Very high97.9Very high13 Ų1364.6 Ų64.613%0.13436%0.364CS..  trans-83.9163.4175.600000113.5V13 R45V13-G18 WeakPolarHBondContact O-CA 3.4Å; V13-G18 PolarHBondContact O-N 3.05Å; G18-R45 CarbonylContact C-O 3.58Å; G18-R45 WeakPolarHBondContact CA-O 3.47Å
19S97.9Very high97.9Very high76 Ų7668.5 Ų68.553%0.53138%0.376SS..EExtended strand (participates in β ladder)trans-96.3151.9165.962.10000110.4G44 R45S19-G44 CarbonylContact O-C 3.55Å; S19-G44 WeakPolarHBondContact O-CA 3.31Å; S19-R45 PolarHBondContact N-O 3.37Å; S19-R45 PolarHBondContact O-N 2.93Å
20V98.5Very high97.9Very high36 Ų3670.5 Ų70.522%0.21839%0.385CS..EExtended strand (participates in β ladder)trans-140.2147.3178.7-59.60000111.1A10 V13 K14 L43A10-V20 HydrophobicContact CB-CB 4.48Å; A10-V20 HydrophobicContact CB-CG2 4.1Å; V13-V20 HydrophobicContact CB-CG1 3.59Å; V13-V20 HydrophobicContact CG1-CG1 3.46Å; V13-V20 VanDerWaalsContact CG1-CG1 3.46Å; V13-V20 HydrophobicContact CG2-CG1 4.44Å; K14-V20 HydrophobicContact CD-CG2 4.07Å; K14-V20 HydrophobicContact CG-CG1 4.46Å; K14-V20 HydrophobicContact CG-CG2 3.89Å; V20-L43 CarbonylContact C-O 3.49Å; V20-L43 VanDerWaalsContact CA-O 3.32Å; V20-L43 WeakPolarHBondContact CA-O 3.38Å
21E98.6Very high97.9Very high120 Ų12077.2 Ų77.256%0.56143%0.428SS*.EExtended strand (participates in β ladder)trans-127.2129.7168.4-172.6-179.1173.400108.6V23 L43E21-V23 HydrophobicContact CB-CG2 4.46Å; E21-V23 HydrophobicContact CG-CG2 3.88Å; E21-L43 HydrophobicContact CB-CB 4.48Å; E21-L43 PolarHBondContact N-O 3.42Å; E21-L43 PolarHBondContact O-N 3.37Å
22L98.4Very high97.8Very high64 Ų6481.4 Ų81.434%0.33545%0.445SS..EExtended strand (participates in β ladder)trans-98.594.8170.5-68.7-180000107.7M6 E7 A10 D24 P40 L42M6-L22 HydrophobicContact CB-CD2 4.05Å; E7-L22 HydrophobicContact CG-CD1 4.11Å; A10-L22 HydrophobicContact CB-CD2 4.36Å; L22-D24 PolarHBondContact O-N 3.2Å; L22-P40 HydrophobicContact CB-CB 4Å; L22-P40 HydrophobicContact CB-CG 4.23Å; L22-P40 HydrophobicContact CD2-CG 4.28Å; L22-L42 HydrophobicContact CD2-CB 3.85Å; L22-L42 HydrophobicContact CD2-CD1 4.26Å; L22-L42 HydrophobicContact CD2-CG 4.03Å
23V98.6Very high97.8Very high38 Ų3881 Ų8123%0.2345%0.453CS..EExtended strand (participates in β ladder)trans-77.1122.4-173.2-1760000109.9E21 I25 P40 I41 L43E21-V23 HydrophobicContact CB-CG2 4.46Å; E21-V23 HydrophobicContact CG-CG2 3.88Å; V23-I25 HydrophobicContact CG1-CG2 4.34Å; V23-P40 CarbonylContact O-C 3.57Å; V23-P40 WeakPolarHBondContact O-CA 3.42Å; V23-P40 VanDerWaalsContact O-CB 3.3Å; V23-P40 WeakPolarHBondContact O-CB 3.5Å; V23-I41 HydrophobicContact CB-CB 4.45Å; V23-I41 PolarHBondContact N-O 3.37Å; V23-I41 PolarHBondContact O-N 2.83Å; V23-L43 HydrophobicContact CG2-CD1 3.69Å; V23-L43 HydrophobicContact CG2-CG 3.92Å
24D98.1Very high97.8Very high118 Ų11882.1 Ų82.163%0.63146%0.462SS*.  trans-73.4123.8169.8-169.5-10.6000109.8L22 G26L22-D24 PolarHBondContact O-N 3.2Å; D24-G26 PolarHBondContact OD1-N 2.8Å
25I98.3Very high97.8Very high77 Ų7781.5 Ų81.540%0.39546%0.461SS..  trans-109.911.2-179.160.6167.8000112.4V23 L38 I41V23-I25 HydrophobicContact CG1-CG2 4.34Å; I25-L38 HydrophobicContact CD1-CB 3.93Å; I25-L38 HydrophobicContact CD1-CD1 3.91Å; I25-L38 HydrophobicContact CD1-CG 4.39Å; I25-L38 HydrophobicContact CG1-CB 3.67Å; I25-L38 HydrophobicContact CG1-CD1 3.91Å; I25-L38 HydrophobicContact CG1-CG 4.4Å; I25-I41 HydrophobicContact CD1-CD1 4.39Å; I25-I41 HydrophobicContact CD1-CG1 4.2Å; I25-I41 HydrophobicContact CG2-CD1 3.8Å; I25-I41 HydrophobicContact CG2-CG1 3.94Å
26G98.1Very high97.9Very high32 Ų3278 Ų7833%0.3345%0.446SS..  trans92.9-140.4173.700000113.7D24 L38D24-G26 PolarHBondContact OD1-N 2.8Å; G26-L38 PolarHBondContact O-N 3.12Å
27K98.4Very high98Very high144 Ų14481.7 Ų81.763%0.62647%0.471SS*.EExtended strand (participates in β ladder)trans-124.6149.8-170.1-63.9178.4-178.7178.60111.5E35 I36K27-E35 HydrophobicContact CD-CB 4.3Å; K27-E35 VanDerWaalsContact CD-OE2 3.24Å; K27-E35 WeakPolarHBondContact CD-OE2 3.49Å; K27-E35 IonicContact NZ-OE2 3.64Å; K27-I36 CarbonylContact C-O 3.51Å; K27-I36 VanDerWaalsContact CA-O 3.23Å; K27-I36 WeakPolarHBondContact CA-O 3.37Å; K27-I36 WeakPolarHBondContact CB-O 3.12Å
28Q98.1Very high98.1Very high96 Ų9680.6 Ų80.645%0.44945%0.449SS..EExtended strand (participates in β ladder)trans-101.7130.8169.7-176.6178.34.600109.4E35 I36 L38Q28-E35 WeakPolarHBondContact O-CA 3.34Å; Q28-I36 HydrophobicContact CB-CG1 4.16Å; Q28-I36 PolarHBondContact N-O 2.91Å; Q28-I36 PolarHBondContact O-N 2.94Å; Q28-L38 HydrophobicContact CB-CD2 3.82Å; Q28-L38 HydrophobicContact CB-CG 3.99Å
29K98.4Very high98.2Very high146 Ų14682.1 Ų82.164%0.63546%0.457SS*.EExtended strand (participates in β ladder)trans-84.9127.1168.8-168.5174.3-177.8174.80109.8S34K29-S34 WeakPolarHBondContact CA-O 3.19Å
30L98.1Very high98.2Very high51 Ų5178.8 Ų78.827%0.26743%0.433SS..PPolyproline II helixtrans-84.5163.3178.8-61.6-172.5000111.4D32 G33 S34 I36L30-D32 WeakPolarHBondContact CB-OD1 3.34Å; L30-D32 PolarHBondContact O-N 3.33Å; L30-G33 PolarHBondContact O-N 3.29Å; L30-S34 PolarHBondContact N-O 3.21Å; L30-I36 HydrophobicContact CD1-CD1 4.47Å; L30-I36 HydrophobicContact CD1-CG2 3.89Å; L30-I36 HydrophobicContact CD2-CD1 3.91Å; L30-I36 HydrophobicContact CD2-CG1 4.09Å; L30-I36 HydrophobicContact CG-CG1 4.33Å; L30-I36 HydrophobicContact CG-CG2 4.42Å
31P98.1Very high98.2Very high144 Ų14481.1 Ų81.194%0.93544%0.444SS*.THydrogen-bonded Turntrans-59.1-28.8-179.4-26.836.2000114.7G33P31-G33 PolarHBondContact O-N 3.26Å
32D97.7Very high98.2Very high126 Ų12677.3 Ų77.367%0.67443%0.427SS*.THydrogen-bonded Turntrans-79.4-0.617668.5-0.7000113.5L30 S34L30-D32 WeakPolarHBondContact CB-OD1 3.34Å; L30-D32 PolarHBondContact O-N 3.33Å; D32-S34 VanDerWaalsContact OD1-CB 3.29Å; D32-S34 WeakPolarHBondContact OD1-CB 3.32Å; D32-S34 PolarHBondContact OD1-N 2.93Å; D32-S34 PolarHBondContact OD1-OG 2.8Å; D32-S34 PolarHBondContact OD2-OG 2.94Å
33G97.8Very high98.2Very high39 Ų3978.9 Ų78.940%0.40244%0.435SS..SBendtrans88.8-7.6179.800000115.1L30 P31L30-G33 PolarHBondContact O-N 3.29Å; P31-G33 PolarHBondContact O-N 3.26Å
34S98.1Very high98.2Very high51 Ų5179.2 Ų79.236%0.35745%0.446SS..  trans-69.7162.4173.3690000111.8K29 L30 D32K29-S34 WeakPolarHBondContact CA-O 3.19Å; L30-S34 PolarHBondContact N-O 3.21Å; D32-S34 VanDerWaalsContact OD1-CB 3.29Å; D32-S34 WeakPolarHBondContact OD1-CB 3.32Å; D32-S34 PolarHBondContact OD1-N 2.93Å; D32-S34 PolarHBondContact OD1-OG 2.8Å; D32-S34 PolarHBondContact OD2-OG 2.94Å
35E98.4Very high98.2Very high116 Ų11679.9 Ų79.954%0.54244%0.44SS..EExtended strand (participates in β ladder)trans-121.7141.1179.1-68.8-174167.600111.8K27 Q28K27-E35 HydrophobicContact CD-CB 4.3Å; K27-E35 VanDerWaalsContact CD-OE2 3.24Å; K27-E35 WeakPolarHBondContact CD-OE2 3.49Å; K27-E35 IonicContact NZ-OE2 3.64Å; Q28-E35 WeakPolarHBondContact O-CA 3.34Å
36I97.8Very high98.1Very high72 Ų7279 Ų7937%0.36944%0.436SS..EExtended strand (participates in β ladder)trans-126.6150.317362.1169.3000110.6K27 Q28 L30K27-I36 CarbonylContact C-O 3.51Å; K27-I36 VanDerWaalsContact CA-O 3.23Å; K27-I36 WeakPolarHBondContact CA-O 3.37Å; K27-I36 WeakPolarHBondContact CB-O 3.12Å; Q28-I36 HydrophobicContact CB-CG1 4.16Å; Q28-I36 PolarHBondContact N-O 2.91Å; Q28-I36 PolarHBondContact O-N 2.94Å; L30-I36 HydrophobicContact CD1-CD1 4.47Å; L30-I36 HydrophobicContact CD1-CG2 3.89Å; L30-I36 HydrophobicContact CD2-CD1 3.91Å; L30-I36 HydrophobicContact CD2-CG1 4.09Å; L30-I36 HydrophobicContact CG-CG1 4.33Å; L30-I36 HydrophobicContact CG-CG2 4.42Å
37P97.9Very high97.8Very high91 Ų9179.1 Ų79.159%0.59144%0.436SS*.EExtended strand (participates in β ladder)trans-65.6136.6172.228.1-33.9000110.6
38L98.3Very high97.6Very high42 Ų4276.8 Ų76.822%0.2244%0.438CS..PPolyproline II helixtrans-70.3151.3170.1-79.2163.2000110.3I25 G26 Q28I25-L38 HydrophobicContact CD1-CB 3.93Å; I25-L38 HydrophobicContact CD1-CD1 3.91Å; I25-L38 HydrophobicContact CD1-CG 4.39Å; I25-L38 HydrophobicContact CG1-CB 3.67Å; I25-L38 HydrophobicContact CG1-CD1 3.91Å; I25-L38 HydrophobicContact CG1-CG 4.4Å; G26-L38 PolarHBondContact O-N 3.12Å; Q28-L38 HydrophobicContact CB-CD2 3.82Å; Q28-L38 HydrophobicContact CB-CG 3.99Å
39P98.2Very high97.3Very high46 Ų4674.2 Ų74.230%0.29943%0.428SS..PPolyproline II helixtrans-60144.7165-19.632.6000110.5I2I2-P39 HydrophobicContact CB-CB 4.24Å; I2-P39 HydrophobicContact CB-CG 3.98Å; I2-P39 HydrophobicContact CD1-CG 3.98Å; I2-P39 HydrophobicContact CG2-CB 3.59Å; I2-P39 HydrophobicContact CG2-CG 3.62Å
40P98.4Very high97Very high5 Ų573.2 Ų73.23%0.03244%0.436CS..PPolyproline II helixtrans-68.9155.6177.230.9-34.9000111.2M6 L22 V23M6-P40 HydrophobicContact CB-CG 4.2Å; M6-P40 HydrophobicContact CG-CG 4.09Å; L22-P40 HydrophobicContact CB-CB 4Å; L22-P40 HydrophobicContact CB-CG 4.23Å; L22-P40 HydrophobicContact CD2-CG 4.28Å; V23-P40 CarbonylContact O-C 3.57Å; V23-P40 WeakPolarHBondContact O-CA 3.42Å; V23-P40 VanDerWaalsContact O-CB 3.3Å; V23-P40 WeakPolarHBondContact O-CB 3.5Å
41I98.8Very high96.8Very high85 Ų8578.9 Ų78.944%0.43646%0.461SS..EExtended strand (participates in β ladder)trans-85.4128.8164.5-65178.5000108.2V23 I25 L43V23-I41 HydrophobicContact CB-CB 4.45Å; V23-I41 PolarHBondContact N-O 3.37Å; V23-I41 PolarHBondContact O-N 2.83Å; I25-I41 HydrophobicContact CD1-CD1 4.39Å; I25-I41 HydrophobicContact CD1-CG1 4.2Å; I25-I41 HydrophobicContact CG2-CD1 3.8Å; I25-I41 HydrophobicContact CG2-CG1 3.94Å; I41-L43 HydrophobicContact CG2-CD2 3.87Å; I41-L43 HydrophobicContact CG2-CG 4.3Å
42L98.7Very high96.3Very high41 Ų4174.1 Ų74.122%0.21543%0.426CS..EExtended strand (participates in β ladder)trans-86115.6171.9-175.7164.5000109.3M6 A9 A10 L22M6-L42 HydrophobicContact CE-CB 3.51Å; A9-L42 HydrophobicContact CB-CD1 3.9Å; A10-L42 HydrophobicContact CB-CD1 3.79Å; L22-L42 HydrophobicContact CD2-CB 3.85Å; L22-L42 HydrophobicContact CD2-CD1 4.26Å; L22-L42 HydrophobicContact CD2-CG 4.03Å
43L98.8Very high96.2Very high97 Ų9777.5 Ų77.551%0.50844%0.435SS..EExtended strand (participates in β ladder)trans-103.2107.9167.4-60.5-175.6000108.6V20 E21 V23 I41V20-L43 CarbonylContact C-O 3.49Å; V20-L43 VanDerWaalsContact CA-O 3.32Å; V20-L43 WeakPolarHBondContact CA-O 3.38Å; E21-L43 HydrophobicContact CB-CB 4.48Å; E21-L43 PolarHBondContact N-O 3.42Å; E21-L43 PolarHBondContact O-N 3.37Å; V23-L43 HydrophobicContact CG2-CD1 3.69Å; V23-L43 HydrophobicContact CG2-CG 3.92Å; I41-L43 HydrophobicContact CG2-CD2 3.87Å; I41-L43 HydrophobicContact CG2-CG 4.3Å
44G97.9Very high96.1Very high44 Ų4481.2 Ų81.245%0.45445%0.45SS..EExtended strand (participates in β ladder)trans-108.8141.2179.800000111.4S19S19-G44 CarbonylContact O-C 3.55Å; S19-G44 WeakPolarHBondContact O-CA 3.31Å
45R97.8Very high96Very high132 Ų13284.4 Ų84.450%0.49847%0.466SS..EExtended strand (participates in β ladder)trans-130.8126.1172.6-172.3179.8-174.4111.90.4110.5G18 S19 G47G18-R45 CarbonylContact C-O 3.58Å; G18-R45 WeakPolarHBondContact CA-O 3.47Å; S19-R45 PolarHBondContact N-O 3.37Å; S19-R45 PolarHBondContact O-N 2.93Å; R45-G47 PolarHBondContact NE-O 3.23Å
46L95.7Very high96Very high60 Ų6084.7 Ų84.731%0.31448%0.48SS..  trans-115.9108.6173.4-177.262.2000109.7L16 L105 L115L16-L46 HydrophobicContact CB-CD1 4.25Å; L16-L46 HydrophobicContact CB-CD2 4.33Å; L16-L46 WeakPolarHBondContact O-CD1 3.34Å; L46-L105 HydrophobicContact CD2-CD1 4.08Å; L46-L105 HydrophobicContact CD2-CD2 4.24Å; L46-L115 HydrophobicContact CD2-CD1 3.87Å
47G92.7Very high96Very high33 Ų3385.1 Ų85.134%0.3448%0.482SS..  trans79.9163.8-177.500000115.2R45R45-G47 PolarHBondContact NE-O 3.23Å
48S93.9Very high96.1Very high96 Ų9690.2 Ų90.267%0.67149%0.491SS*.  trans-146.114.8-175.754.20000113.7P50S48-P50 WeakPolarHBondContact O-CD 3.26Å
49D92.1Very high96.1Very high42 Ų4289.7 Ų89.723%0.22550%0.495CS..  trans-66.1116.5-176-176.8-12.5000112.1Q51 K52 G117D49-Q51 PolarHBondContact O-N 3.08Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.37Å; D49-Q51 PolarHBondContact OD1-N 3.46Å; D49-K52 HydrophobicContact CB-CB 4.48Å; D49-K52 HydrophobicContact CB-CD 4.31Å; D49-K52 HydrophobicContact CB-CG 4.09Å; D49-K52 PolarHBondContact O-N 3.45Å; D49-K52 IonicContact OD2-NZ 2.81Å; D49-K52 PolarHBondContact OD2-NZ 2.86Å; D49-G117 VanDerWaalsContact OD2-O 3.1Å
50P92.7Very high96.1Very high125 Ų12590.1 Ų90.181%0.81249%0.493SS*.THydrogen-bonded Turntrans-69.6-14.5-17829.8-35.8000113.8S48 K52S48-P50 WeakPolarHBondContact O-CD 3.26Å; P50-K52 VanDerWaalsContact C-N 3.31Å
51Q93.1Very high96.1Very high170 Ų17090.8 Ų90.879%0.79450%0.496SS*.THydrogen-bonded Turntrans-80.1-17.1176.2-56.4-173.57.200112.2D49D49-Q51 PolarHBondContact O-N 3.08Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.37Å; D49-Q51 PolarHBondContact OD1-N 3.46Å
52K88.6Confident96.1Very high44 Ų4490.7 Ų90.719%0.19150%0.497CS..SBendtrans-91.4154.5177.3-67.1-168.6-166.253.40112.5D49 P50 G117 H118D49-K52 HydrophobicContact CB-CB 4.48Å; D49-K52 HydrophobicContact CB-CD 4.31Å; D49-K52 HydrophobicContact CB-CG 4.09Å; D49-K52 PolarHBondContact O-N 3.45Å; D49-K52 IonicContact OD2-NZ 2.81Å; D49-K52 PolarHBondContact OD2-NZ 2.86Å; P50-K52 VanDerWaalsContact C-N 3.31Å; K52-G117 WeakPolarHBondContact CE-O 3.24Å; K52-G117 WeakPolarHBondContact CG-O 3.36Å; K52-G117 PolarHBondContact NZ-O 2.93Å; K52-H118 VanDerWaalsContact CE-CA 3.47Å; K52-H118 VanDerWaalsContact NZ-N 3.18Å
53K94.1Very high96.1Very high197 Ų19790.7 Ų90.786%0.85750%0.498SS*.PPolyproline II helixtrans-74.1144.3164.2-58.5-56.1-176.2-175.70110.1
54T95.8Very high96.1Very high117 Ų11792 Ų9272%0.71850%0.502SS*.PPolyproline II helixtrans-97.8130.9172.6-59.90000108.8
55V97.1Very high96.1Very high117 Ų11794.8 Ų94.871%0.70951%0.512SS*.  trans-113.1132.6173.8178.70000107.9I57V55-I57 HydrophobicContact CG1-CG1 4.44Å
56C97.9Very high96.1Very high122 Ų12289.2 Ų89.282%0.82449%0.494SS*.  trans-92.4124.8170.6-172.60000108.6
57I98.2Very high96.2Very high81 Ų8187.6 Ų87.642%0.41549%0.49SS..  trans-105.1125.9172.7-60.4172.1000106.9V55 W101V55-I57 HydrophobicContact CG1-CG1 4.44Å; I57-W101 HydrophobicContact CD1-CB 4.43Å; I57-W101 HydrophobicContact CD1-CD2 3.95Å; I57-W101 HydrophobicContact CD1-CE3 3.9Å; I57-W101 HydrophobicContact CD1-CG 4.2Å; I57-W101 HydrophobicContact CG2-CD2 4.18Å; I57-W101 HydrophobicContact CG2-CG 3.87Å
58Y98.6Very high96.5Very high199 Ų19989.5 Ų89.578%0.7849%0.491SS*.  trans-116.9140.1173.8170-96.2000109
59G98.3Very high96.7Very high30 Ų3092.6 Ų92.631%0.30950%0.495SS..  trans-163.1175.3173.100000109.2D94G59-D94 WeakPolarHBondContact CA-OD2 3.34Å
60H98.8Very high97Very high55 Ų5595.9 Ų95.926%0.25551%0.513SS..  trans-130.1159178.169.394.3000111.9D62 D93 D94H60-D62 WeakPolarHBondContact CB-OD1 3.18Å; H60-D62 IonicContact CG-OD1 3.73Å; H60-D62 PolarHBondContact ND1-O 3.27Å; H60-D62 VanDerWaalsContact ND1-O 3.13Å; H60-D62 IonicContact ND1-OD1 3.29Å; H60-D62 PolarHBondContact ND1-OD1 3.31Å; H60-D93 IonicContact CE1-OD1 3.18Å; H60-D93 PolarHBondContact CE1-OD1 3.09Å; H60-D93 IonicContact NE2-OD1 3.07Å; H60-D93 PolarHBondContact NE2-OD1 3.34Å; H60-D93 VanDerWaalsContact NE2-OD1 3.07Å; H60-D94 IonicContact CD2-OD2 3.87Å; H60-D94 PolarHBondContact N-OD2 2.91Å; H60-D94 WeakPolarHBondContact NE2-CB 3.44Å
61L98.5Very high97.2Very high19 Ų1992.9 Ų92.910%0.09951%0.505CS..  trans-126.8-10.1-171.1-70.4177.3000113.5M5 M6 A9 K95 V98M5-L61 HydrophobicContact CG-CB 3.87Å; M5-L61 HydrophobicContact CG-CD1 4.31Å; M5-L61 HydrophobicContact CG-CD2 4.31Å; M5-L61 HydrophobicContact CG-CG 4.4Å; M6-L61 HydrophobicContact CE-CD1 4.23Å; M6-L61 HydrophobicContact SD-CB 4Å; M6-L61 HydrophobicContact SD-CD1 3.8Å; M6-L61 HydrophobicContact SD-CG 4.42Å; A9-L61 HydrophobicContact CB-CD1 3.54Å; L61-K95 WeakPolarHBondContact O-CE 3.3Å; L61-V98 HydrophobicContact CD2-CB 4.3Å; L61-V98 HydrophobicContact CD2-CG1 3.99Å; L61-V98 HydrophobicContact CD2-CG2 4.47Å
62D98.4Very high97.5Very high83 Ų8388 Ų8844%0.44448%0.479SS..  trans-71.1158.916167.2-54.5000110.1I2 H60I2-D62 HydrophobicContact CD1-CB 4.17Å; I2-D62 HydrophobicContact CG2-CB 4.41Å; H60-D62 WeakPolarHBondContact CB-OD1 3.18Å; H60-D62 IonicContact CG-OD1 3.73Å; H60-D62 PolarHBondContact ND1-O 3.27Å; H60-D62 VanDerWaalsContact ND1-O 3.13Å; H60-D62 IonicContact ND1-OD1 3.29Å; H60-D62 PolarHBondContact ND1-OD1 3.31Å
63V98.6Very high98Very high41 Ų4192.6 Ų92.625%0.24851%0.506CS..  trans-139.5154.3-177.2-630000108.9F77 R89 K95V63-F77 HydrophobicContact CG2-CE1 4.08Å; V63-R89 HydrophobicContact CB-CG 4.06Å; V63-R89 HydrophobicContact CG2-CG 3.94Å; V63-K95 HydrophobicContact CG1-CD 4.31Å; V63-K95 HydrophobicContact CG1-CG 4.44Å
64Q98.6Very high98.1Very high125 Ų12584.1 Ų84.158%0.58447%0.471SS*.  trans-60151.5171.3-72.8-67.7-10.500111.7R89Q64-R89 WeakPolarHBondContact O-CD 3.36Å; Q64-R89 WeakPolarHBondContact O-CG 3.32Å; Q64-R89 PolarHBondContact O-NE 3.04Å
65P98.1Very high98.3Very high103 Ų10383.6 Ų83.667%0.66946%0.461SS*.  trans-54.8154.4167.3-22.934.3000112R89P65-R89 PolarHBondContact O-NE 2.67Å; P65-R89 PolarHBondContact O-NH2 3.03Å
66A98.3Very high98.3Very high14 Ų1478.2 Ų78.212%0.11643%0.428CS..  trans-159.6139.2171.100000108.8W72 P76 F77 R89A66-W72 HydrophobicContact CB-CZ2 3.94Å; A66-P76 HydrophobicContact CB-CB 3.58Å; A66-P76 HydrophobicContact CB-CG 3.95Å; A66-F77 HydrophobicContact CB-CE2 4.43Å; A66-F77 HydrophobicContact CB-CZ 4.29Å; A66-F77 VanDerWaalsContact O-CE2 3.3Å; A66-F77 WeakPolarHBondContact O-CE2 3.24Å; A66-R89 HydrophobicContact CB-CB 4.14Å; A66-R89 HydrophobicContact CB-CG 4.2Å
67A98.4Very high98.3Very high27 Ų2778.5 Ų78.522%0.22342%0.416CS..  trans-132.6156.2171.900000109.8E69 D70A67-E69 HydrophobicContact CB-CG 3.94Å; A67-E69 VanDerWaalsContact CB-OE2 3.27Å; A67-E69 WeakPolarHBondContact CB-OE2 3.07Å; A67-E69 PolarHBondContact O-N 3.18Å; A67-D70 PolarHBondContact N-OD2 3.29Å; A67-D70 WeakPolarHBondContact O-CB 3.36Å; A67-D70 PolarHBondContact O-N 3.25Å; A67-D70 VanDerWaalsContact O-N 3.12Å
68L98.2Very high98.4Very high72 Ų7278.6 Ų78.638%0.37742%0.42SS..G310 helixtrans-61-39.7-176.8-173.968.3000110.9D70 G71 W72L68-D70 PolarHBondContact O-N 2.88Å; L68-G71 PolarHBondContact O-N 3.02Å; L68-G71 VanDerWaalsContact O-N 3.08Å; L68-W72 HydrophobicContact CD1-CB 4.15Å; L68-W72 WeakPolarHBondContact CD1-O 3.38Å; L68-W72 PolarHBondContact O-N 3.14Å; L68-W72 VanDerWaalsContact O-N 3.12Å
69E98.3Very high98.4Very high161 Ų16174.3 Ų74.375%0.75241%0.41SS*.G310 helixtrans-62.6-15.1177.459.6-93.3-136.100114.6A67 G71A67-E69 HydrophobicContact CB-CG 3.94Å; A67-E69 VanDerWaalsContact CB-OE2 3.27Å; A67-E69 WeakPolarHBondContact CB-OE2 3.07Å; A67-E69 PolarHBondContact O-N 3.18Å; E69-G71 PolarHBondContact O-N 3.09Å
70D98.2Very high98.4Very high111 Ų11174.9 Ų74.959%0.59441%0.407SS*.G310 helixtrans-71.1-3.3171.6-60.1-30000112.3A67 L68A67-D70 PolarHBondContact N-OD2 3.29Å; A67-D70 WeakPolarHBondContact O-CB 3.36Å; A67-D70 PolarHBondContact O-N 3.25Å; A67-D70 VanDerWaalsContact O-N 3.12Å; L68-D70 PolarHBondContact O-N 2.88Å
71G98.4Very high98.4Very high62 Ų6278.9 Ų78.964%0.63943%0.426SS*.THydrogen-bonded Turntrans102.529.4178.400000114.1L68 E69L68-G71 PolarHBondContact O-N 3.02Å; L68-G71 VanDerWaalsContact O-N 3.08Å; E69-G71 PolarHBondContact O-N 3.09Å
72W98.5Very high98.3Very high67 Ų6781.8 Ų81.825%0.25444%0.436SS..  trans-80.4138.5176.4-74.975.5000112A66 L68 S74 P76 R89A66-W72 HydrophobicContact CB-CZ2 3.94Å; L68-W72 HydrophobicContact CD1-CB 4.15Å; L68-W72 WeakPolarHBondContact CD1-O 3.38Å; L68-W72 PolarHBondContact O-N 3.14Å; L68-W72 VanDerWaalsContact O-N 3.12Å; W72-S74 WeakPolarHBondContact CB-O 3.26Å; W72-S74 PolarHBondContact O-N 3.17Å; W72-P76 HydrophobicContact CD2-CB 3.78Å; W72-P76 HydrophobicContact CE3-CB 3.99Å; W72-P76 HydrophobicContact CG-CB 4.24Å; W72-P76 HydrophobicContact CH2-CB 4.33Å; W72-P76 HydrophobicContact CZ2-CB 4.12Å; W72-P76 HydrophobicContact CZ3-CB 4.26Å; W72-R89 HydrophobicContact CH2-CB 4.13Å; W72-R89 HydrophobicContact CZ2-CB 4.34Å
73D98.1Very high98.3Very high142 Ų14285.3 Ų85.376%0.75946%0.455SS*.SBendtrans-77.8-1.9175.1-60.6-41.9000113.8R82D73-R82 PolarHBondContact O-NH1 3.17Å
74S97.8Very high98.3Very high18 Ų1886.3 Ų86.313%0.12647%0.474CS..SBendtrans-163.2156.7-179.648.90000110W72 P76 R82W72-S74 WeakPolarHBondContact CB-O 3.26Å; W72-S74 PolarHBondContact O-N 3.17Å; S74-P76 VanDerWaalsContact O-N 3.12Å; S74-R82 PolarHBondContact OG-NH2 2.96Å
75E98.4Very high98.3Very high107 Ų10786.2 Ų86.250%0.547%0.471SS..  trans-48117.2176-73.1-59.4150.100112.1F77 T78E75-F77 VanDerWaalsContact C-N 3.26Å; E75-F77 PolarHBondContact O-N 3.38Å; E75-F77 VanDerWaalsContact O-N 3.17Å; E75-T78 PolarHBondContact O-N 3.33Å
76P98.5Very high98.3Very high3 Ų386.2 Ų86.22%0.01947%0.465CS..THydrogen-bonded Turntrans-63.9-30.4-167.120.8-32.1000113.1A66 W72 S74 G88 R89A66-P76 HydrophobicContact CB-CB 3.58Å; A66-P76 HydrophobicContact CB-CG 3.95Å; W72-P76 HydrophobicContact CD2-CB 3.78Å; W72-P76 HydrophobicContact CE3-CB 3.99Å; W72-P76 HydrophobicContact CG-CB 4.24Å; W72-P76 HydrophobicContact CH2-CB 4.33Å; W72-P76 HydrophobicContact CZ2-CB 4.12Å; W72-P76 HydrophobicContact CZ3-CB 4.26Å; S74-P76 VanDerWaalsContact O-N 3.12Å; P76-G88 CarbonylContact O-C 3.24Å; P76-G88 WeakPolarHBondContact O-CA 3.24Å; P76-R89 HydrophobicContact CB-CB 4.27Å; P76-R89 PolarHBondContact O-N 2.9Å
77F98.3Very high98.3Very high129 Ų12989.2 Ų89.257%0.56647%0.474SS*.THydrogen-bonded Turntrans-97.19.2-180-60.6-71.7000113.8V63 A66 E75 R89V63-F77 HydrophobicContact CG2-CE1 4.08Å; A66-F77 HydrophobicContact CB-CE2 4.43Å; A66-F77 HydrophobicContact CB-CZ 4.29Å; A66-F77 VanDerWaalsContact O-CE2 3.3Å; A66-F77 WeakPolarHBondContact O-CE2 3.24Å; E75-F77 VanDerWaalsContact C-N 3.26Å; E75-F77 PolarHBondContact O-N 3.38Å; E75-F77 VanDerWaalsContact O-N 3.17Å; F77-R89 HydrophobicContact CD1-CB 4.1Å; F77-R89 HydrophobicContact CD1-CG 4.22Å; F77-R89 HydrophobicContact CE1-CB 3.85Å; F77-R89 HydrophobicContact CE1-CG 3.51Å; F77-R89 HydrophobicContact CZ-CB 4.43Å; F77-R89 HydrophobicContact CZ-CG 4.05Å
78T98.5Very high98.3Very high83 Ų8388.2 Ų88.251%0.50947%0.466SS..SBendtrans-109.4109.2169.1-57.60000108.5E75 V80E75-T78 PolarHBondContact O-N 3.33Å; T78-V80 HydrophobicContact CG2-CG1 4.41Å; T78-V80 PolarHBondContact O-N 3.01Å
79L98.5Very high98.3Very high108 Ų10888.3 Ų88.357%0.56546%0.462SS*.  trans-66.2124179.6-167.676000110L86 Y87L79-L86 HydrophobicContact CD1-CB 4.26Å; L79-Y87 WeakPolarHBondContact CA-O 3.45Å
80V98.6Very high98.4Very high42 Ų4280.9 Ų80.926%0.25543%0.428SS..EExtended strand (participates in β ladder)trans-125.1141.2176.6-60.30000110.8T78 Y87T78-V80 HydrophobicContact CG2-CG1 4.41Å; T78-V80 PolarHBondContact O-N 3.01Å; V80-Y87 PolarHBondContact N-O 2.88Å; V80-Y87 PolarHBondContact O-N 2.84Å
81E98.6Very high98.4Very high139 Ų13977.7 Ų77.765%0.6541%0.414SS*.EExtended strand (participates in β ladder)trans-96.7130.1172.1-171.6176.6176.500110.1K85 L86E81-K85 WeakPolarHBondContact CA-O 3.49Å; E81-L86 HydrophobicContact CB-CD2 3.85Å; E81-L86 HydrophobicContact CG-CD2 3.91Å
82R98.2Very high98.4Very high80 Ų8080 Ų8030%0.30242%0.417SS..EExtended strand (participates in β ladder)trans-139.9125.7171.6-65.3179.9-73.9-132.6-6109.1D73 S74 G84 K85 Y87D73-R82 PolarHBondContact O-NH1 3.17Å; S74-R82 PolarHBondContact OG-NH2 2.96Å; R82-G84 VanDerWaalsContact C-N 3.25Å; R82-G84 PolarHBondContact O-N 3.08Å; R82-K85 PolarHBondContact N-O 3.22Å; R82-K85 WeakPolarHBondContact O-CB 3.49Å; R82-K85 PolarHBondContact O-N 2.93Å; R82-Y87 HydrophobicContact CB-CD2 4.16Å; R82-Y87 HydrophobicContact CB-CE2 3.84Å
83D97.4Very high98.4Very high157 Ų15780.6 Ų80.684%0.8443%0.425SS*.THydrogen-bonded Turntrans50.143.3178.7-53.2-42.2000113.7K85D83-K85 VanDerWaalsContact C-N 3.25Å; D83-K85 PolarHBondContact O-N 3.17Å
84G97.9Very high98.4Very high63 Ų6375.3 Ų75.365%0.64940%0.396SS*.THydrogen-bonded Turntrans72.311.7-179.600000115R82R82-G84 VanDerWaalsContact C-N 3.25Å; R82-G84 PolarHBondContact O-N 3.08Å
85K98.4Very high98.5Very high123 Ų12377.9 Ų77.954%0.53541%0.405SS..EExtended strand (participates in β ladder)trans-112.4135.7176.7-61.1166.1-173.4167.70110.1E81 R82 D83 Y87E81-K85 WeakPolarHBondContact CA-O 3.49Å; R82-K85 PolarHBondContact N-O 3.22Å; R82-K85 WeakPolarHBondContact O-CB 3.49Å; R82-K85 PolarHBondContact O-N 2.93Å; D83-K85 VanDerWaalsContact C-N 3.25Å; D83-K85 PolarHBondContact O-N 3.17Å; K85-Y87 HydrophobicContact CB-CD2 4.21Å; K85-Y87 HydrophobicContact CB-CE2 3.5Å; K85-Y87 HydrophobicContact CD-CE2 4.32Å; K85-Y87 VanDerWaalsContact CD-OH 3.26Å; K85-Y87 WeakPolarHBondContact CD-OH 3.46Å; K85-Y87 WeakPolarHBondContact O-CD2 3.42Å
86L98.7Very high98.5Very high102 Ų10274.4 Ų74.453%0.53440%0.398SS..EExtended strand (participates in β ladder)trans-95112178.2-58.3176.9000109.7L79 E81L79-L86 HydrophobicContact CD1-CB 4.26Å; E81-L86 HydrophobicContact CB-CD2 3.85Å; E81-L86 HydrophobicContact CG-CD2 3.91Å
87Y98.8Very high98.5Very high77 Ų7776.8 Ų76.830%0.30241%0.413SS..EExtended strand (participates in β ladder)trans-102.1124.8-178.8-65.7-93.1000110.8L79 V80 R82 K85L79-Y87 WeakPolarHBondContact CA-O 3.45Å; V80-Y87 PolarHBondContact N-O 2.88Å; V80-Y87 PolarHBondContact O-N 2.84Å; R82-Y87 HydrophobicContact CB-CD2 4.16Å; R82-Y87 HydrophobicContact CB-CE2 3.84Å; K85-Y87 HydrophobicContact CB-CD2 4.21Å; K85-Y87 HydrophobicContact CB-CE2 3.5Å; K85-Y87 HydrophobicContact CD-CE2 4.32Å; K85-Y87 VanDerWaalsContact CD-OH 3.26Å; K85-Y87 WeakPolarHBondContact CD-OH 3.46Å; K85-Y87 WeakPolarHBondContact O-CD2 3.42Å
88G98.7Very high98.5Very high6 Ų671.9 Ų71.96%0.06239%0.394CS..SBendtrans171.3146.5174.100000110.9P76 G90 S91P76-G88 CarbonylContact O-C 3.24Å; P76-G88 WeakPolarHBondContact O-CA 3.24Å; G88-G90 PolarHBondContact O-N 3.41Å; G88-S91 WeakPolarHBondContact O-CB 3.39Å; G88-S91 PolarHBondContact O-N 3.4Å; G88-S91 PolarHBondContact O-OG 3.06Å
89R98.8Very high98.5Very high75 Ų7569.8 Ų69.828%0.28339%0.385SS..THydrogen-bonded Turntrans-59.5125.8174.1170.158.179.4-149.71.3109.2V63 Q64 P65 A66 W72 P76 F77V63-R89 HydrophobicContact CB-CG 4.06Å; V63-R89 HydrophobicContact CG2-CG 3.94Å; Q64-R89 WeakPolarHBondContact O-CD 3.36Å; Q64-R89 WeakPolarHBondContact O-CG 3.32Å; Q64-R89 PolarHBondContact O-NE 3.04Å; P65-R89 PolarHBondContact O-NE 2.67Å; P65-R89 PolarHBondContact O-NH2 3.03Å; A66-R89 HydrophobicContact CB-CB 4.14Å; A66-R89 HydrophobicContact CB-CG 4.2Å; W72-R89 HydrophobicContact CH2-CB 4.13Å; W72-R89 HydrophobicContact CZ2-CB 4.34Å; P76-R89 HydrophobicContact CB-CB 4.27Å; P76-R89 PolarHBondContact O-N 2.9Å; F77-R89 HydrophobicContact CD1-CB 4.1Å; F77-R89 HydrophobicContact CD1-CG 4.22Å; F77-R89 HydrophobicContact CE1-CB 3.85Å; F77-R89 HydrophobicContact CE1-CG 3.51Å; F77-R89 HydrophobicContact CZ-CB 4.43Å; F77-R89 HydrophobicContact CZ-CG 4.05Å
90G98.5Very high98.5Very high5 Ų566.3 Ų66.35%0.05238%0.376CS..THydrogen-bonded Turntrans93.5-9.4-177.600000114.6G88 T92 D93 K95G88-G90 PolarHBondContact O-N 3.41Å; G90-T92 PolarHBondContact O-N 3.47Å; G90-D93 WeakPolarHBondContact CA-O 3.3Å; G90-K95 VanDerWaalsContact O-CB 3.3Å; G90-K95 WeakPolarHBondContact O-CB 3.5Å; G90-K95 PolarHBondContact O-N 3.13Å
91S98.6Very high98.5Very high43 Ų4370.8 Ų70.830%0.30139%0.388SS..Iπ-helixtrans-54.4-50-177.751.10000112.9G88 G96G88-S91 WeakPolarHBondContact O-CB 3.39Å; G88-S91 PolarHBondContact O-N 3.4Å; G88-S91 PolarHBondContact O-OG 3.06Å; S91-G96 WeakPolarHBondContact O-CA 3.16Å; S91-G96 PolarHBondContact O-N 3.47Å
92T98.6Very high98.5Very high112 Ų11265.5 Ų65.569%0.68736%0.364SS*.Iπ-helixtrans-100.9-18.6177.9-165.50000114.3G90 P97G90-T92 PolarHBondContact O-N 3.47Å; T92-P97 WeakPolarHBondContact O-CG 3.32Å
93D98.4Very high98.5Very high79 Ų7966.2 Ų66.242%0.42237%0.374SS..Iπ-helixtrans-138.188.8-171.2177.819.2000109.3H60 G90H60-D93 IonicContact CE1-OD1 3.18Å; H60-D93 PolarHBondContact CE1-OD1 3.09Å; H60-D93 IonicContact NE2-OD1 3.07Å; H60-D93 PolarHBondContact NE2-OD1 3.34Å; H60-D93 VanDerWaalsContact NE2-OD1 3.07Å; G90-D93 WeakPolarHBondContact CA-O 3.3Å
94D98.6Very high98.5Very high30 Ų3060.9 Ų60.916%0.1635%0.352CS..Iπ-helixcis-13117.5-0-17542.7000112.1G59 H60 G96 P97 V98G59-D94 WeakPolarHBondContact CA-OD2 3.34Å; H60-D94 IonicContact CD2-OD2 3.87Å; H60-D94 PolarHBondContact N-OD2 2.91Å; H60-D94 WeakPolarHBondContact NE2-CB 3.44Å; D94-G96 PolarHBondContact O-N 3.33Å; D94-P97 WeakPolarHBondContact O-CD 3.38Å; D94-P97 VanDerWaalsContact OD1-CB 3.24Å; D94-P97 WeakPolarHBondContact OD1-CB 3.42Å; D94-P97 VanDerWaalsContact OD1-CG 3.26Å; D94-P97 WeakPolarHBondContact OD1-CG 3.46Å; D94-V98 WeakPolarHBondContact O-CG2 3.32Å; D94-V98 PolarHBondContact O-N 3.49Å; D94-V98 VanDerWaalsContact O-N 3.09Å; D94-V98 WeakPolarHBondContact OD2-CG2 3.37Å
95K98.7Very high98.4Very high72 Ų7260 Ų6031%0.31333%0.332SS..Iπ-helixtrans-67.5-36.5-175.2-62.3-178.7174.9178.30112.7L61 V63 G90 A99L61-K95 WeakPolarHBondContact O-CE 3.3Å; V63-K95 HydrophobicContact CG1-CD 4.31Å; V63-K95 HydrophobicContact CG1-CG 4.44Å; G90-K95 VanDerWaalsContact O-CB 3.3Å; G90-K95 WeakPolarHBondContact O-CB 3.5Å; G90-K95 PolarHBondContact O-N 3.13Å; K95-A99 WeakPolarHBondContact O-CB 3.38Å; K95-A99 PolarHBondContact O-N 3.45Å
96G98.8Very high98.3Very high34 Ų3457.3 Ų57.335%0.35132%0.321SS..Hα-helixtrans-62.2-54.3176.200000112.6S91 D94 V98 A99 G100S91-G96 WeakPolarHBondContact O-CA 3.16Å; S91-G96 PolarHBondContact O-N 3.47Å; D94-G96 PolarHBondContact O-N 3.33Å; G96-V98 PolarHBondContact O-N 2.85Å; G96-A99 PolarHBondContact O-N 3.46Å; G96-G100 PolarHBondContact O-N 3.42Å
97P98.8Very high98.2Very high53 Ų5354.8 Ų54.834%0.34432%0.315SS..Hα-helixtrans-58.8-43.3176-27.134.8000113.8T92 D94 G100 W101T92-P97 WeakPolarHBondContact O-CG 3.32Å; D94-P97 WeakPolarHBondContact O-CD 3.38Å; D94-P97 VanDerWaalsContact OD1-CB 3.24Å; D94-P97 WeakPolarHBondContact OD1-CB 3.42Å; D94-P97 VanDerWaalsContact OD1-CG 3.26Å; D94-P97 WeakPolarHBondContact OD1-CG 3.46Å; P97-G100 WeakPolarHBondContact O-CA 3.45Å; P97-G100 PolarHBondContact O-N 3.04Å; P97-G100 VanDerWaalsContact O-N 3.12Å; P97-W101 PolarHBondContact O-N 3.32Å; P97-W101 VanDerWaalsContact O-N 3.08Å
98V98.8Very high97.9Very high26 Ų2655.5 Ų55.516%0.15832%0.318CS..Hα-helixtrans-62.1-45.7176.21740000111.7L61 D94 G96 G100 W101 I102L61-V98 HydrophobicContact CD2-CB 4.3Å; L61-V98 HydrophobicContact CD2-CG1 3.99Å; L61-V98 HydrophobicContact CD2-CG2 4.47Å; D94-V98 WeakPolarHBondContact O-CG2 3.32Å; D94-V98 PolarHBondContact O-N 3.49Å; D94-V98 VanDerWaalsContact O-N 3.09Å; D94-V98 WeakPolarHBondContact OD2-CG2 3.37Å; G96-V98 PolarHBondContact O-N 2.85Å; V98-G100 PolarHBondContact O-N 2.9Å; V98-W101 PolarHBondContact O-N 3.12Å; V98-I102 HydrophobicContact CG1-CD1 4.43Å; V98-I102 PolarHBondContact O-N 3.31Å
99A98.6Very high97.5Very high40 Ų4059.2 Ų59.233%0.33133%0.334SS..Hα-helixtrans-61.3-35.7173.700000111.6K95 G96 W101 I102 N103K95-A99 WeakPolarHBondContact O-CB 3.38Å; K95-A99 PolarHBondContact O-N 3.45Å; G96-A99 PolarHBondContact O-N 3.46Å; A99-W101 PolarHBondContact O-N 2.73Å; A99-I102 PolarHBondContact O-N 3.02Å; A99-N103 WeakPolarHBondContact O-CB 3.44Å; A99-N103 PolarHBondContact O-N 3.21Å; A99-N103 PolarHBondContact O-ND2 3.01Å; A99-N103 PolarHBondContact O-OD1 3.14Å
100G98.6Very high97.3Very high35 Ų3562.6 Ų62.636%0.36135%0.35SS..Hα-helixtrans-58.3-43.2174.700000113.1G96 P97 V98 N103 A104G96-G100 PolarHBondContact O-N 3.42Å; P97-G100 WeakPolarHBondContact O-CA 3.45Å; P97-G100 PolarHBondContact O-N 3.04Å; P97-G100 VanDerWaalsContact O-N 3.12Å; V98-G100 PolarHBondContact O-N 2.9Å; G100-N103 PolarHBondContact O-N 2.86Å; G100-A104 WeakPolarHBondContact O-CB 3.34Å; G100-A104 PolarHBondContact O-N 3.46Å
101W98.4Very high97.1Very high136 Ų13666.8 Ų66.852%0.51538%0.375SS..Hα-helixtrans-61.4-46.3175-74.6118.8000112.4I57 P97 V98 A99 A104 L105I57-W101 HydrophobicContact CD1-CB 4.43Å; I57-W101 HydrophobicContact CD1-CD2 3.95Å; I57-W101 HydrophobicContact CD1-CE3 3.9Å; I57-W101 HydrophobicContact CD1-CG 4.2Å; I57-W101 HydrophobicContact CG2-CD2 4.18Å; I57-W101 HydrophobicContact CG2-CG 3.87Å; P97-W101 PolarHBondContact O-N 3.32Å; P97-W101 VanDerWaalsContact O-N 3.08Å; V98-W101 PolarHBondContact O-N 3.12Å; A99-W101 PolarHBondContact O-N 2.73Å; W101-A104 PolarHBondContact O-N 3.27Å; W101-L105 WeakPolarHBondContact O-CG 3.41Å; W101-L105 PolarHBondContact O-N 2.82Å; W101-L105 VanDerWaalsContact O-N 3.1Å
102I98Very high96.3Very high27 Ų2767.8 Ų67.814%0.13839%0.392CS..Hα-helixtrans-61.5-48.6178.4-66.6167000110.2D12 L16 V98 A99 A104 L105 E106D12-I102 HydrophobicContact CB-CD1 3.88Å; D12-I102 HydrophobicContact CB-CG1 4.45Å; D12-I102 HydrophobicContact CB-CG2 3.81Å; L16-I102 HydrophobicContact CD1-CG2 4.33Å; V98-I102 HydrophobicContact CG1-CD1 4.43Å; V98-I102 PolarHBondContact O-N 3.31Å; A99-I102 PolarHBondContact O-N 3.02Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.08Å; I102-L105 PolarHBondContact O-N 2.87Å; I102-E106 WeakPolarHBondContact O-CB 3.49Å; I102-E106 PolarHBondContact O-N 3.49Å
103N98.3Very high95.3Very high96 Ų9667.9 Ų67.951%0.51339%0.385SS..Hα-helixtrans-60.7-39.9179.2-68.5-17.9000112A99 G100 E106 A107A99-N103 WeakPolarHBondContact O-CB 3.44Å; A99-N103 PolarHBondContact O-N 3.21Å; A99-N103 PolarHBondContact O-ND2 3.01Å; A99-N103 PolarHBondContact O-OD1 3.14Å; G100-N103 PolarHBondContact O-N 2.86Å; N103-E106 PolarHBondContact O-N 2.98Å; N103-A107 WeakPolarHBondContact O-CB 3.3Å; N103-A107 PolarHBondContact O-N 3.18Å
104A97.3Very high93.8Very high45 Ų4567 Ų6737%0.37238%0.38SS..Hα-helixtrans-62.4-47.4176.300000111.1G100 W101 I102 E106 A107 Y108G100-A104 WeakPolarHBondContact O-CB 3.34Å; G100-A104 PolarHBondContact O-N 3.46Å; W101-A104 PolarHBondContact O-N 3.27Å; I102-A104 VanDerWaalsContact C-N 3.31Å; I102-A104 PolarHBondContact O-N 3.08Å; A104-E106 PolarHBondContact O-N 3.32Å; A104-A107 PolarHBondContact O-N 3.04Å; A104-Y108 VanDerWaalsContact O-CD2 3.24Å; A104-Y108 WeakPolarHBondContact O-CD2 3.27Å; A104-Y108 PolarHBondContact O-N 3.19Å
105L95.6Very high92.2Very high45 Ų4567.6 Ų67.624%0.23638%0.383CS..Hα-helixtrans-61.1-43.5177-66.1170.7000111.8L16 L46 W101 I102 A107 Y108 Q109 L115L16-L105 HydrophobicContact CD1-CB 3.86Å; L16-L105 HydrophobicContact CD1-CD1 4.09Å; L16-L105 HydrophobicContact CD2-CB 4.4Å; L46-L105 HydrophobicContact CD2-CD1 4.08Å; L46-L105 HydrophobicContact CD2-CD2 4.24Å; W101-L105 WeakPolarHBondContact O-CG 3.41Å; W101-L105 PolarHBondContact O-N 2.82Å; W101-L105 VanDerWaalsContact O-N 3.1Å; I102-L105 PolarHBondContact O-N 2.87Å; L105-A107 PolarHBondContact O-N 3.18Å; L105-Y108 PolarHBondContact O-N 3.34Å; L105-Q109 PolarHBondContact O-N 2.89Å; L105-L115 HydrophobicContact CD2-CD1 3.85Å; L105-L115 HydrophobicContact CD2-CD2 3.6Å; L105-L115 HydrophobicContact CD2-CG 4.39Å
106E96.3Very high89.8Confident66 Ų6673.5 Ų73.531%0.30841%0.409SS..Hα-helixtrans-62.1-42.4177.4-160.8-162.4-147.500111.7L16 I102 N103 A104 Y108 Q109 K110L16-E106 HydrophobicContact CD2-CB 3.86Å; L16-E106 HydrophobicContact CD2-CG 4.13Å; I102-E106 WeakPolarHBondContact O-CB 3.49Å; I102-E106 PolarHBondContact O-N 3.49Å; N103-E106 PolarHBondContact O-N 2.98Å; A104-E106 PolarHBondContact O-N 3.32Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 2.85Å; E106-Q109 PolarHBondContact O-N 3.18Å; E106-Q109 VanDerWaalsContact O-N 3.17Å; E106-K110 HydrophobicContact CG-CD 4.1Å; E106-K110 HydrophobicContact CG-CG 4.4Å; E106-K110 PolarHBondContact O-N 3.08Å; E106-K110 WeakPolarHBondContact OE1-CE 3.15Å; E106-K110 IonicContact OE1-NZ 2.7Å; E106-K110 PolarHBondContact OE1-NZ 3.07Å; E106-K110 IonicContact OE2-NZ 2.76Å; E106-K110 PolarHBondContact OE2-NZ 3.18Å
107A96.6Very high87.4Confident49 Ų4974 Ų7441%0.40541%0.413SS..Hα-helixtrans-61.3-38.9178.900000112.5N103 A104 L105 T111N103-A107 WeakPolarHBondContact O-CB 3.3Å; N103-A107 PolarHBondContact O-N 3.18Å; A104-A107 PolarHBondContact O-N 3.04Å; L105-A107 PolarHBondContact O-N 3.18Å; A107-T111 WeakPolarHBondContact O-CB 3.42Å; A107-T111 VanDerWaalsContact O-CG2 3.31Å; A107-T111 WeakPolarHBondContact O-CG2 3.23Å; A107-T111 PolarHBondContact O-N 3.12Å; A107-T111 VanDerWaalsContact O-N 3.08Å; A107-T111 PolarHBondContact O-OG1 2.95Å
108Y92.8Very high84.7Confident91 Ų9175.4 Ų75.436%0.35742%0.415SS..Hα-helixtrans-59.2-51.4172.4-85-82.8000111A104 L105 E106 K110 T111 G112 Q113 L115A104-Y108 VanDerWaalsContact O-CD2 3.24Å; A104-Y108 WeakPolarHBondContact O-CD2 3.27Å; A104-Y108 PolarHBondContact O-N 3.19Å; L105-Y108 PolarHBondContact O-N 3.34Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 2.85Å; Y108-K110 PolarHBondContact O-N 3.03Å; Y108-T111 PolarHBondContact O-N 3.13Å; Y108-T111 PolarHBondContact O-OG1 2.85Å; Y108-T111 VanDerWaalsContact O-OG1 3.08Å; Y108-G112 PolarHBondContact O-N 2.8Å; Y108-Q113 CarbonylContact C-O 3.6Å; Y108-Q113 VanDerWaalsContact C-O 3.24Å; Y108-Q113 HydrophobicContact CD1-CB 3.88Å; Y108-Q113 CarbonylContact O-C 3.48Å; Y108-Q113 PolarHBondContact O-N 2.82Å; Y108-L115 HydrophobicContact CD1-CD2 4.45Å; Y108-L115 HydrophobicContact CD2-CD2 3.77Å; Y108-L115 HydrophobicContact CG-CD2 3.72Å
109Q91.2Very high81.8Confident85 Ų8580.1 Ų80.140%0.39744%0.439SS..Hα-helixtrans-59.7-45.9-180-66.9-175.2-11.700112.3L16 L105 E106 T111 G112L16-Q109 PolarHBondContact O-NE2 3.3Å; L105-Q109 PolarHBondContact O-N 2.89Å; E106-Q109 PolarHBondContact O-N 3.18Å; E106-Q109 VanDerWaalsContact O-N 3.17Å; Q109-T111 VanDerWaalsContact C-N 3.31Å; Q109-T111 PolarHBondContact O-N 3.29Å; Q109-G112 PolarHBondContact O-N 2.96Å; Q109-G112 VanDerWaalsContact O-N 3.14Å
110K93.1Very high79.1Confident146 Ų14685 Ų8564%0.63546%0.459SS*.Hα-helixtrans-68.6-26.4-178.1-75.7-178176.1166.10113.9E106 Y108 G112E106-K110 HydrophobicContact CG-CD 4.1Å; E106-K110 HydrophobicContact CG-CG 4.4Å; E106-K110 PolarHBondContact O-N 3.08Å; E106-K110 WeakPolarHBondContact OE1-CE 3.15Å; E106-K110 IonicContact OE1-NZ 2.7Å; E106-K110 PolarHBondContact OE1-NZ 3.07Å; E106-K110 IonicContact OE2-NZ 2.76Å; E106-K110 PolarHBondContact OE2-NZ 3.18Å; Y108-K110 PolarHBondContact O-N 3.03Å; K110-G112 VanDerWaalsContact C-N 3.26Å
111T94.4Very high76.5Confident92 Ų9285.6 Ų85.656%0.56447%0.465SS*.THydrogen-bonded Turntrans-86.75.6175.755.40000113.1A107 Y108 Q109 Q113A107-T111 WeakPolarHBondContact O-CB 3.42Å; A107-T111 VanDerWaalsContact O-CG2 3.31Å; A107-T111 WeakPolarHBondContact O-CG2 3.23Å; A107-T111 PolarHBondContact O-N 3.12Å; A107-T111 VanDerWaalsContact O-N 3.08Å; A107-T111 PolarHBondContact O-OG1 2.95Å; Y108-T111 PolarHBondContact O-N 3.13Å; Y108-T111 PolarHBondContact O-OG1 2.85Å; Y108-T111 VanDerWaalsContact O-OG1 3.08Å; Q109-T111 VanDerWaalsContact C-N 3.31Å; Q109-T111 PolarHBondContact O-N 3.29Å; T111-Q113 PolarHBondContact O-N 3.01Å
112G83.2Confident73.6Confident65 Ų6586.6 Ų86.667%0.6748%0.48SS*.THydrogen-bonded Turntrans67.111.4-175.800000113Y108 Q109 K110Y108-G112 PolarHBondContact O-N 2.8Å; Q109-G112 PolarHBondContact O-N 2.96Å; Q109-G112 VanDerWaalsContact O-N 3.14Å; K110-G112 VanDerWaalsContact C-N 3.26Å
113Q77.9Confident70.7Confident114 Ų11491.1 Ų91.153%0.53351%0.514SS..  trans-85.8125.5174.7-66.1-170.211.500108.6Y108 T111 L115Y108-Q113 CarbonylContact C-O 3.6Å; Y108-Q113 VanDerWaalsContact C-O 3.24Å; Y108-Q113 HydrophobicContact CD1-CB 3.88Å; Y108-Q113 CarbonylContact O-C 3.48Å; Y108-Q113 PolarHBondContact O-N 2.82Å; T111-Q113 PolarHBondContact O-N 3.01Å; Q113-L115 PolarHBondContact O-N 3.39Å
114L66.8Low67.7Low61 Ų6194.6 Ų94.632%0.31956%0.556SS.*  trans-69.3131.8169-69.3161.9000107.2K116 H118 I120L114-K116 PolarHBondContact O-N 2.61Å; L114-H118 HydrophobicContact CB-CB 3.56Å; L114-H118 WeakPolarHBondContact CB-O 3.47Å; L114-H118 VanDerWaalsContact CD1-C 3.48Å; L114-H118 HydrophobicContact CD1-CB 4.35Å; L114-H118 WeakPolarHBondContact CD1-O 3.29Å; L114-H118 HydrophobicContact CD2-CB 3.5Å; L114-H118 VanDerWaalsContact CD2-CB 3.5Å; L114-H118 HydrophobicContact CG-CB 3.92Å; L114-H118 WeakPolarHBondContact CG-O 3.48Å; L114-I120 HydrophobicContact CD1-CB 4.45Å; L114-I120 HydrophobicContact CD1-CD1 4.45Å; L114-I120 HydrophobicContact CD1-CG1 3.83Å; L114-I120 HydrophobicContact CD2-CD1 3.8Å; L114-I120 HydrophobicContact CD2-CG1 3.43Å; L114-I120 VanDerWaalsContact CD2-CG1 3.43Å; L114-I120 HydrophobicContact CG-CD1 4.45Å; L114-I120 HydrophobicContact CG-CG1 4.14Å
115L63.3Low66.2Low42 Ų4297.1 Ų97.122%0.2257%0.566CS.*SBendtrans-45.2114.6165.7-68.8171.3000106.1L46 L105 Y108 Q113 G117 H118L46-L115 HydrophobicContact CD2-CD1 3.87Å; L105-L115 HydrophobicContact CD2-CD1 3.85Å; L105-L115 HydrophobicContact CD2-CD2 3.6Å; L105-L115 HydrophobicContact CD2-CG 4.39Å; Y108-L115 HydrophobicContact CD1-CD2 4.45Å; Y108-L115 HydrophobicContact CD2-CD2 3.77Å; Y108-L115 HydrophobicContact CG-CD2 3.72Å; Q113-L115 PolarHBondContact O-N 3.39Å; L115-G117 PolarHBondContact O-N 2.94Å; L115-H118 PolarHBondContact O-N 3.44Å
116K49.3Very low64.7Low196 Ų19699.8 Ų99.885%0.85258%0.583SS**THydrogen-bonded Turntrans-39.4110.7-162.2-89.5-174.1170.91780110.3L114L114-K116 PolarHBondContact O-N 2.61Å
117G47.4Very low62.9Low44 Ų44101.7 Ų101.745%0.45460%0.598SS.*THydrogen-bonded Turntrans114.81.3-17800000116.7D49 K52 L115D49-G117 VanDerWaalsContact OD2-O 3.1Å; K52-G117 WeakPolarHBondContact CE-O 3.24Å; K52-G117 WeakPolarHBondContact CG-O 3.36Å; K52-G117 PolarHBondContact NZ-O 2.93Å; L115-G117 PolarHBondContact O-N 2.94Å
118H42.3Very low61Low82 Ų82104.8 Ų104.838%0.3861%0.609SS.*  trans-87.5140.3170.1-125.6127.3000107.4K52 L114 L115K52-H118 VanDerWaalsContact CE-CA 3.47Å; K52-H118 VanDerWaalsContact NZ-N 3.18Å; L114-H118 HydrophobicContact CB-CB 3.56Å; L114-H118 WeakPolarHBondContact CB-O 3.47Å; L114-H118 VanDerWaalsContact CD1-C 3.48Å; L114-H118 HydrophobicContact CD1-CB 4.35Å; L114-H118 WeakPolarHBondContact CD1-O 3.29Å; L114-H118 HydrophobicContact CD2-CB 3.5Å; L114-H118 VanDerWaalsContact CD2-CB 3.5Å; L114-H118 HydrophobicContact CG-CB 3.92Å; L114-H118 WeakPolarHBondContact CG-O 3.48Å; L115-H118 PolarHBondContact O-N 3.44Å
119N38.8Very low59Low125 Ų125105.6 Ų105.667%0.66863%0.625SS**  trans-108.2128.2162.9-75.9-31.6000106.3G121N119-G121 VanDerWaalsContact C-N 3.27Å; N119-G121 PolarHBondContact O-N 3.22Å
120I41.5Very low56.8Low143 Ų143107 Ų10773%0.73364%0.64SS**  trans-86.284.9157.7-51.6174000104.7L114L114-I120 HydrophobicContact CD1-CB 4.45Å; L114-I120 HydrophobicContact CD1-CD1 4.45Å; L114-I120 HydrophobicContact CD1-CG1 3.83Å; L114-I120 HydrophobicContact CD2-CD1 3.8Å; L114-I120 HydrophobicContact CD2-CG1 3.43Å; L114-I120 VanDerWaalsContact CD2-CG1 3.43Å; L114-I120 HydrophobicContact CG-CD1 4.45Å; L114-I120 HydrophobicContact CG-CG1 4.14Å
121G43.7Very low54.2Low48 Ų48104.2 Ų104.250%0.49564%0.641SS.*  trans-125.3119.4145.300000103.2N119N119-G121 VanDerWaalsContact C-N 3.27Å; N119-G121 PolarHBondContact O-N 3.22Å
122D37.3Very low51.1Low156 Ų156105.2 Ų105.283%0.83465%0.647SS**  cis-140.7118.348-63.1-46000111.4
123S37.8Very low48.5Very low122 Ų122108.5 Ų108.585%0.85365%0.645SS**  trans-75.7109.714450.30000107.5
124A35.4Very low45.8Very low169 Ų169108 Ų108100%1.39766%0.655SS**  trans-136.90155.500000108.1

Retrieved 124 of 124 residues in 96.4 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).