A0A5K4F563_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F563, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 129 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
1M66.4Low78.9Confident186 Ų186128.6 Ų128.692%0.91663%0.633SS**  0-450-152.1164.968.500114K3 L4 K5M1-K3 PolarHBondContact O-N 3.39Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-K5 PolarHBondContact O-N 3.19Å
2I80.3Confident79.1Confident135 Ų135126.6 Ų126.669%0.69263%0.625SS**Hα-helixtrans-60-42.8-177.9-63.2168.5000113.4L4 K5 R6I2-L4 PolarHBondContact O-N 3.41Å; I2-K5 PolarHBondContact O-N 3.04Å; I2-R6 PolarHBondContact O-N 2.9Å
3K78.7Confident79.2Confident167 Ų167123.9 Ų123.973%0.72661%0.614SS**Hα-helixtrans-63.8-41-179.7-163176.1-177.6-179.70112.7M1 R6 N7M1-K3 PolarHBondContact O-N 3.39Å; K3-R6 PolarHBondContact O-N 3.49Å; K3-N7 PolarHBondContact O-N 3.01Å
4L78.5Confident79.4Confident140 Ų140125.4 Ų125.473%0.73362%0.618SS**Hα-helixtrans-63.1-44.6174.9-108.6130.5000111.6M1 I2 R6 N7 L8M1-L4 PolarHBondContact O-N 3.43Å; I2-L4 PolarHBondContact O-N 3.41Å; L4-R6 PolarHBondContact O-N 3.47Å; L4-N7 PolarHBondContact O-N 3.38Å; L4-L8 PolarHBondContact O-N 3.03Å
5K80.9Confident79.6Confident135 Ų135121.5 Ų121.559%0.58761%0.606SS**Hα-helixtrans-60-44.3174.9-75.5-168.8174.2-171.20112.1M1 I2 L8 I9M1-K5 PolarHBondContact O-N 3.19Å; I2-K5 PolarHBondContact O-N 3.04Å; K5-L8 PolarHBondContact O-N 3.49Å; K5-I9 WeakPolarHBondContact O-CD1 3.26Å; K5-I9 VanDerWaalsContact O-CG1 3.26Å; K5-I9 WeakPolarHBondContact O-CG1 3.43Å; K5-I9 PolarHBondContact O-N 3.32Å
6R79.5Confident79.8Confident171 Ų171116.9 Ų116.965%0.64559%0.59SS**Hα-helixtrans-63.5-43177.6-72.5176.792.9165.67.1112.4I2 K3 L4 L8 I9 N10I2-R6 PolarHBondContact O-N 2.9Å; K3-R6 PolarHBondContact O-N 3.49Å; L4-R6 PolarHBondContact O-N 3.47Å; R6-L8 VanDerWaalsContact C-N 3.35Å; R6-L8 PolarHBondContact O-N 3.02Å; R6-I9 PolarHBondContact O-N 3.49Å; R6-N10 WeakPolarHBondContact O-CB 3.26Å; R6-N10 PolarHBondContact O-N 3.25Å
7N82.2Confident80.2Confident98 Ų98115.3 Ų115.352%0.52458%0.582SS.*Hα-helixtrans-63.5-41.1178-73-0.4000111.8K3 L4 N10 S11K3-N7 PolarHBondContact O-N 3.01Å; L4-N7 PolarHBondContact O-N 3.38Å; N7-N10 PolarHBondContact O-N 3.37Å; N7-S11 VanDerWaalsContact O-CB 3.26Å; N7-S11 WeakPolarHBondContact O-CB 3.07Å; N7-S11 PolarHBondContact O-N 3.4Å
8L82.5Confident80.5Confident117 Ų117115.6 Ų115.661%0.61359%0.585SS**Hα-helixtrans-64.5-45.6177.2-160.685.6000111.5L4 K5 R6 S11 I12L4-L8 PolarHBondContact O-N 3.03Å; K5-L8 PolarHBondContact O-N 3.49Å; R6-L8 VanDerWaalsContact C-N 3.35Å; R6-L8 PolarHBondContact O-N 3.02Å; L8-S11 PolarHBondContact O-N 3.42Å; L8-I12 HydrophobicContact CG-CD1 4.41Å; L8-I12 WeakPolarHBondContact O-CG1 3.18Å; L8-I12 PolarHBondContact O-N 2.97Å; L8-I12 VanDerWaalsContact O-N 3.16Å
9I80.8Confident81Confident102 Ų102113.6 Ų113.652%0.52358%0.578SS.*Hα-helixtrans-59.9-48.4176.7-67.9164.8000110.3K5 R6 S11 I12 L13K5-I9 WeakPolarHBondContact O-CD1 3.26Å; K5-I9 VanDerWaalsContact O-CG1 3.26Å; K5-I9 WeakPolarHBondContact O-CG1 3.43Å; K5-I9 PolarHBondContact O-N 3.32Å; R6-I9 PolarHBondContact O-N 3.49Å; I9-S11 VanDerWaalsContact C-N 3.33Å; I9-S11 PolarHBondContact O-N 3.3Å; I9-I12 PolarHBondContact O-N 3.38Å; I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 PolarHBondContact O-N 2.85Å
10N77.8Confident81.4Confident84 Ų84116.4 Ų116.445%0.44958%0.583SS.*Hα-helixtrans-62.9-39.2178.7-72.5-7.2000112.3R6 N7 I12 L13 Q14R6-N10 WeakPolarHBondContact O-CB 3.26Å; R6-N10 PolarHBondContact O-N 3.25Å; N7-N10 PolarHBondContact O-N 3.37Å; N10-I12 VanDerWaalsContact C-N 3.25Å; N10-I12 PolarHBondContact O-N 2.74Å; N10-L13 PolarHBondContact O-N 3.16Å; N10-Q14 WeakPolarHBondContact O-CB 3.49Å; N10-Q14 PolarHBondContact O-N 3.33Å
11S80.6Confident81.8Confident80 Ų80114.1 Ų114.156%0.55958%0.577SS**Hα-helixtrans-64.3-27.4178.7-174.10000113.3N7 L8 I9 P15N7-S11 VanDerWaalsContact O-CB 3.26Å; N7-S11 WeakPolarHBondContact O-CB 3.07Å; N7-S11 PolarHBondContact O-N 3.4Å; L8-S11 PolarHBondContact O-N 3.42Å; I9-S11 VanDerWaalsContact C-N 3.33Å; I9-S11 PolarHBondContact O-N 3.3Å; S11-P15 WeakPolarHBondContact O-CD 3.41Å; S11-P15 WeakPolarHBondContact O-CG 3.4Å
12I80.9Confident83Confident104 Ų104108.6 Ų108.653%0.53355%0.554SS.*Hα-helixtrans-90.9-39176.2-62.7167.8000110.7L8 I9 N10 P15 S16L8-I12 HydrophobicContact CG-CD1 4.41Å; L8-I12 WeakPolarHBondContact O-CG1 3.18Å; L8-I12 PolarHBondContact O-N 2.97Å; L8-I12 VanDerWaalsContact O-N 3.16Å; I9-I12 PolarHBondContact O-N 3.38Å; N10-I12 VanDerWaalsContact C-N 3.25Å; N10-I12 PolarHBondContact O-N 2.74Å; I12-P15 WeakPolarHBondContact O-CD 3.19Å; I12-P15 WeakPolarHBondContact O-CG 3.45Å; I12-S16 WeakPolarHBondContact O-CB 3.35Å; I12-S16 PolarHBondContact O-N 2.92Å; I12-S16 PolarHBondContact O-OG 3.31Å
13L80.9Confident83.4Confident92 Ų92105.8 Ų105.848%0.48254%0.54SS..Hα-helixtrans-70.7-41.6-174.9-163.275.8000112I9 N10 S16 I17I9-L13 WeakPolarHBondContact O-CB 3.36Å; I9-L13 PolarHBondContact O-N 2.85Å; N10-L13 PolarHBondContact O-N 3.16Å; L13-S16 PolarHBondContact O-N 3.44Å; L13-I17 HydrophobicContact CD2-CD1 4.07Å; L13-I17 HydrophobicContact CG-CD1 3.76Å; L13-I17 HydrophobicContact CG-CG1 4.33Å; L13-I17 WeakPolarHBondContact O-CB 3.28Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.04Å; L13-I17 PolarHBondContact O-N 3.45Å
14Q81.9Confident83.9Confident144 Ų144104.4 Ų104.467%0.67353%0.534SS*.Hα-helixtrans-58.1-53.6178.4-84.3-176.5-54.400114.1N10 S16 I17 L18N10-Q14 WeakPolarHBondContact O-CB 3.49Å; N10-Q14 PolarHBondContact O-N 3.33Å; Q14-S16 VanDerWaalsContact C-N 3.3Å; Q14-S16 PolarHBondContact O-N 3.32Å; Q14-I17 PolarHBondContact O-N 2.94Å; Q14-L18 PolarHBondContact O-N 3.37Å
15P81.6Confident84.4Confident67 Ų67101.2 Ų101.244%0.43552%0.523SS..Hα-helixtrans-66-35.6179.325.1-33.7000111.5S11 I12 L18 V19S11-P15 WeakPolarHBondContact O-CD 3.41Å; S11-P15 WeakPolarHBondContact O-CG 3.4Å; I12-P15 WeakPolarHBondContact O-CD 3.19Å; I12-P15 WeakPolarHBondContact O-CG 3.45Å; P15-L18 PolarHBondContact O-N 3.32Å; P15-V19 VanDerWaalsContact O-CG2 3.28Å; P15-V19 WeakPolarHBondContact O-CG2 3.46Å; P15-V19 PolarHBondContact O-N 3.35Å
16S83.1Confident84.7Confident49 Ų4999.1 Ų99.134%0.34352%0.518SS..Hα-helixtrans-60.6-49175.4-57.10000111.2I12 L13 Q14 L18 V19 Y20I12-S16 WeakPolarHBondContact O-CB 3.35Å; I12-S16 PolarHBondContact O-N 2.92Å; I12-S16 PolarHBondContact O-OG 3.31Å; L13-S16 PolarHBondContact O-N 3.44Å; Q14-S16 VanDerWaalsContact C-N 3.3Å; Q14-S16 PolarHBondContact O-N 3.32Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.44Å; S16-V19 PolarHBondContact O-N 2.95Å; S16-Y20 WeakPolarHBondContact O-CD2 3.3Å; S16-Y20 PolarHBondContact O-N 2.76Å
17I86.8Confident85Confident89 Ų8997 Ų9746%0.45651%0.513SS..Hα-helixtrans-59.6-45.1176.4-69.7167.4000110.6L13 Q14 V19 Y20 C21L13-I17 HydrophobicContact CD2-CD1 4.07Å; L13-I17 HydrophobicContact CG-CD1 3.76Å; L13-I17 HydrophobicContact CG-CG1 4.33Å; L13-I17 WeakPolarHBondContact O-CB 3.28Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.04Å; L13-I17 PolarHBondContact O-N 3.45Å; Q14-I17 PolarHBondContact O-N 2.94Å; I17-V19 PolarHBondContact O-N 2.88Å; I17-Y20 PolarHBondContact O-N 2.97Å; I17-C21 WeakPolarHBondContact O-CB 3.36Å; I17-C21 PolarHBondContact O-N 3.32Å; I17-C21 PolarHBondContact O-SG 3.49Å
18L86.3Confident85Confident121 Ų12195.5 Ų95.563%0.63451%0.505SS*.Hα-helixtrans-59.6-46.4179.2-163.888000111.3Q14 P15 S16 C21 T22Q14-L18 PolarHBondContact O-N 3.37Å; P15-L18 PolarHBondContact O-N 3.32Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.44Å; L18-C21 PolarHBondContact O-N 2.95Å; L18-T22 WeakPolarHBondContact O-CG2 3.43Å; L18-T22 PolarHBondContact O-N 3.22Å; L18-T22 PolarHBondContact O-OG1 3.31Å
19V89.2Confident84.9Confident77 Ų7797.5 Ų97.547%0.46751%0.505SS..Hα-helixtrans-60.7-48.1177171.40000110.6P15 S16 I17 C21 T22 I23P15-V19 VanDerWaalsContact O-CG2 3.28Å; P15-V19 WeakPolarHBondContact O-CG2 3.46Å; P15-V19 PolarHBondContact O-N 3.35Å; S16-V19 PolarHBondContact O-N 2.95Å; I17-V19 PolarHBondContact O-N 2.88Å; V19-C21 PolarHBondContact O-N 2.96Å; V19-T22 PolarHBondContact O-N 3.46Å; V19-T22 PolarHBondContact O-OG1 2.85Å; V19-I23 HydrophobicContact CG1-CD1 3.74Å; V19-I23 HydrophobicContact CG1-CG1 4.42Å; V19-I23 WeakPolarHBondContact O-CG1 3.24Å; V19-I23 PolarHBondContact O-N 3.29Å
20Y89.7Confident84.9Confident169 Ų16998.2 Ų98.266%0.66351%0.506SS*.Hα-helixtrans-60.5-42.4176.8-78.4-65.6000112.7S16 I17 I23 F24S16-Y20 WeakPolarHBondContact O-CD2 3.3Å; S16-Y20 PolarHBondContact O-N 2.76Å; I17-Y20 PolarHBondContact O-N 2.97Å; Y20-I23 PolarHBondContact O-N 2.92Å; Y20-F24 VanDerWaalsContact O-CB 3.28Å; Y20-F24 WeakPolarHBondContact O-CB 3.35Å; Y20-F24 PolarHBondContact O-N 3.35Å
21C90.2Very high84.7Confident70 Ų7098.2 Ų98.247%0.47351%0.51SS..Hα-helixtrans-60.9-45175.7-72.40000111.5I17 L18 V19 F24 S25I17-C21 WeakPolarHBondContact O-CB 3.36Å; I17-C21 PolarHBondContact O-N 3.32Å; I17-C21 PolarHBondContact O-SG 3.49Å; L18-C21 PolarHBondContact O-N 2.95Å; V19-C21 PolarHBondContact O-N 2.96Å; C21-F24 PolarHBondContact O-N 3.32Å; C21-S25 WeakPolarHBondContact O-CB 3.35Å; C21-S25 PolarHBondContact O-N 2.93Å; C21-S25 PolarHBondContact O-OG 3.04Å
22T89.8Confident84.4Confident70 Ų7098.2 Ų98.243%0.42950%0.502SS..Hα-helixtrans-64.7-43.8178.957.80000112.5L18 V19 F24 S25 I26L18-T22 WeakPolarHBondContact O-CG2 3.43Å; L18-T22 PolarHBondContact O-N 3.22Å; L18-T22 PolarHBondContact O-OG1 3.31Å; V19-T22 PolarHBondContact O-N 3.46Å; V19-T22 PolarHBondContact O-OG1 2.85Å; T22-F24 PolarHBondContact O-N 3.41Å; T22-S25 PolarHBondContact O-N 2.93Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 3.29Å
23I89.6Confident83.6Confident76 Ų7695.8 Ų95.839%0.3949%0.491SS..Hα-helixtrans-60.8-47.4176.1-67.9170.6000109.7V19 Y20 S25 I26 F27V19-I23 HydrophobicContact CG1-CD1 3.74Å; V19-I23 HydrophobicContact CG1-CG1 4.42Å; V19-I23 WeakPolarHBondContact O-CG1 3.24Å; V19-I23 PolarHBondContact O-N 3.29Å; Y20-I23 PolarHBondContact O-N 2.92Å; I23-S25 PolarHBondContact O-N 3.23Å; I23-I26 PolarHBondContact O-N 2.89Å; I23-F27 HydrophobicContact CG2-CD2 3.64Å; I23-F27 HydrophobicContact CG2-CE2 3.64Å; I23-F27 VanDerWaalsContact O-CD2 3.3Å; I23-F27 WeakPolarHBondContact O-CD2 3.3Å; I23-F27 PolarHBondContact O-N 3.37Å
24F88.9Confident82.6Confident137 Ų13794.9 Ų94.960%0.60149%0.492SS*.Hα-helixtrans-61.5-41.6178.6-171.4-109.6000112.3Y20 C21 T22 F27 I28Y20-F24 VanDerWaalsContact O-CB 3.28Å; Y20-F24 WeakPolarHBondContact O-CB 3.35Å; Y20-F24 PolarHBondContact O-N 3.35Å; C21-F24 PolarHBondContact O-N 3.32Å; T22-F24 PolarHBondContact O-N 3.41Å; F24-F27 PolarHBondContact O-N 2.91Å; F24-I28 HydrophobicContact CD1-CD1 3.59Å; F24-I28 HydrophobicContact CD1-CG1 4.42Å; F24-I28 HydrophobicContact CE1-CD1 3.19Å; F24-I28 HydrophobicContact CE1-CG1 4.21Å; F24-I28 HydrophobicContact CE2-CD1 4.4Å; F24-I28 HydrophobicContact CG-CD1 4.37Å; F24-I28 HydrophobicContact CZ-CD1 3.65Å; F24-I28 HydrophobicContact CZ-CG1 4.32Å; F24-I28 WeakPolarHBondContact O-CG1 3.28Å; F24-I28 PolarHBondContact O-N 2.95Å
25S88.3Confident81.4Confident73 Ų7395.2 Ų95.251%0.5149%0.488SS..Hα-helixtrans-62.6-40.6174.3-64.20000112.6C21 T22 I23 I28 Y29C21-S25 WeakPolarHBondContact O-CB 3.35Å; C21-S25 PolarHBondContact O-N 2.93Å; C21-S25 PolarHBondContact O-OG 3.04Å; T22-S25 PolarHBondContact O-N 2.93Å; I23-S25 PolarHBondContact O-N 3.23Å; S25-I28 PolarHBondContact O-N 3.46Å; S25-Y29 WeakPolarHBondContact O-CB 3.38Å; S25-Y29 PolarHBondContact O-N 3.19Å
26I88Confident80.3Confident92 Ų9297.7 Ų97.747%0.47249%0.492SS..Hα-helixtrans-64-45.2175.7-67.8164.5000110.6T22 I23 I28 Y29 Q30T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 3.29Å; I23-I26 PolarHBondContact O-N 2.89Å; I26-I28 PolarHBondContact O-N 3.39Å; I26-Y29 PolarHBondContact O-N 2.88Å; I26-Q30 HydrophobicContact CG2-CG 4.4Å; I26-Q30 WeakPolarHBondContact O-CG 3.49Å; I26-Q30 PolarHBondContact O-N 3.43Å
27F85.2Confident78.9Confident125 Ų125104.1 Ų104.155%0.54851%0.51SS..Hα-helixtrans-61.5-41.9176.3-89.1-77.1000112.1I23 F24 T31I23-F27 HydrophobicContact CG2-CD2 3.64Å; I23-F27 HydrophobicContact CG2-CE2 3.64Å; I23-F27 VanDerWaalsContact O-CD2 3.3Å; I23-F27 WeakPolarHBondContact O-CD2 3.3Å; I23-F27 PolarHBondContact O-N 3.37Å; F24-F27 PolarHBondContact O-N 2.91Å; F27-T31 WeakPolarHBondContact O-CB 3.37Å; F27-T31 VanDerWaalsContact O-CG2 3.31Å; F27-T31 WeakPolarHBondContact O-CG2 3.31Å; F27-T31 PolarHBondContact O-N 2.9Å; F27-T31 PolarHBondContact O-OG1 3Å
28I83.4Confident77.3Confident68 Ų68104.2 Ų104.235%0.34952%0.515SS..Hα-helixtrans-62.8-44.8174.7-73.3176.2000110.7F24 S25 I26 Q30 T31 I32F24-I28 HydrophobicContact CD1-CD1 3.59Å; F24-I28 HydrophobicContact CD1-CG1 4.42Å; F24-I28 HydrophobicContact CE1-CD1 3.19Å; F24-I28 HydrophobicContact CE1-CG1 4.21Å; F24-I28 HydrophobicContact CE2-CD1 4.4Å; F24-I28 HydrophobicContact CG-CD1 4.37Å; F24-I28 HydrophobicContact CZ-CD1 3.65Å; F24-I28 HydrophobicContact CZ-CG1 4.32Å; F24-I28 WeakPolarHBondContact O-CG1 3.28Å; F24-I28 PolarHBondContact O-N 2.95Å; S25-I28 PolarHBondContact O-N 3.46Å; I26-I28 PolarHBondContact O-N 3.39Å; I28-Q30 PolarHBondContact O-N 2.91Å; I28-T31 WeakPolarHBondContact CA-OG1 3.38Å; I28-T31 PolarHBondContact O-N 3.03Å; I28-T31 PolarHBondContact O-OG1 3.47Å; I28-I32 HydrophobicContact CG2-CD1 3.53Å; I28-I32 HydrophobicContact CG2-CG1 4.23Å; I28-I32 WeakPolarHBondContact O-CB 3.17Å; I28-I32 VanDerWaalsContact O-CG1 3.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.28Å; I28-I32 PolarHBondContact O-N 3.37Å
29Y80.8Confident75.4Confident158 Ų158102.5 Ų102.562%0.6251%0.507SS*.Hα-helixtrans-62.2-45.6-179.3-160.6-90000111.6S25 I26 T31 I32 D33S25-Y29 WeakPolarHBondContact O-CB 3.38Å; S25-Y29 PolarHBondContact O-N 3.19Å; I26-Y29 PolarHBondContact O-N 2.88Å; Y29-T31 PolarHBondContact O-N 3.44Å; Y29-I32 PolarHBondContact O-N 3Å; Y29-D33 WeakPolarHBondContact CE1-OD2 3.17Å; Y29-D33 PolarHBondContact O-N 2.92Å
30Q80Confident73.6Confident117 Ų117104.6 Ų104.655%0.54752%0.515SS..Hα-helixtrans-64-37.6177.1-70.3178.9-0.300112.9I26 I28 S34I26-Q30 HydrophobicContact CG2-CG 4.4Å; I26-Q30 WeakPolarHBondContact O-CG 3.49Å; I26-Q30 PolarHBondContact O-N 3.43Å; I28-Q30 PolarHBondContact O-N 2.91Å; Q30-S34 VanDerWaalsContact O-CB 3.28Å; Q30-S34 WeakPolarHBondContact O-CB 3.27Å; Q30-S34 PolarHBondContact O-N 3.3Å
31T74.7Confident72.5Confident85 Ų85101.1 Ų101.152%0.52151%0.508SS..Hα-helixtrans-71.8-38.3177.650.20000112.3F27 I28 Y29 Y35F27-T31 WeakPolarHBondContact O-CB 3.37Å; F27-T31 VanDerWaalsContact O-CG2 3.31Å; F27-T31 WeakPolarHBondContact O-CG2 3.31Å; F27-T31 PolarHBondContact O-N 2.9Å; F27-T31 PolarHBondContact O-OG1 3Å; I28-T31 WeakPolarHBondContact CA-OG1 3.38Å; I28-T31 PolarHBondContact O-N 3.03Å; I28-T31 PolarHBondContact O-OG1 3.47Å; Y29-T31 PolarHBondContact O-N 3.44Å; T31-Y35 VanDerWaalsContact O-CB 3.31Å; T31-Y35 WeakPolarHBondContact O-CB 3.45Å; T31-Y35 PolarHBondContact O-N 3.48Å
32I74Confident71.6Confident79 Ų79101.7 Ų101.741%0.40551%0.506SS..Hα-helixtrans-64.5-45.5175-69.6170.1000110.9I28 Y29 Y35 K36I28-I32 HydrophobicContact CG2-CD1 3.53Å; I28-I32 HydrophobicContact CG2-CG1 4.23Å; I28-I32 WeakPolarHBondContact O-CB 3.17Å; I28-I32 VanDerWaalsContact O-CG1 3.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.28Å; I28-I32 PolarHBondContact O-N 3.37Å; Y29-I32 PolarHBondContact O-N 3Å; I32-Y35 PolarHBondContact O-N 3Å; I32-K36 HydrophobicContact CG2-CD 4.42Å; I32-K36 WeakPolarHBondContact O-CG 3.48Å; I32-K36 PolarHBondContact O-N 3.32Å
33D64.4Low71.1Confident54 Ų5499.2 Ų99.229%0.28949%0.49SS..Hα-helixtrans-64.4-46.3179-79.9-9.8000111.1Y29 Y35 K36 Y37Y29-D33 WeakPolarHBondContact CE1-OD2 3.17Å; Y29-D33 PolarHBondContact O-N 2.92Å; D33-Y35 VanDerWaalsContact C-N 3.28Å; D33-Y35 PolarHBondContact O-N 3.31Å; D33-K36 WeakPolarHBondContact O-CB 3.39Å; D33-K36 PolarHBondContact O-N 3.12Å; D33-K36 VanDerWaalsContact O-N 3.12Å; D33-Y37 WeakPolarHBondContact O-CD2 3.31Å; D33-Y37 PolarHBondContact O-N 3.32Å
34S58.3Low70.7Confident73 Ų73100 Ų10051%0.5150%0.495SS..Hα-helixtrans-58.2-39.5175.2-172.50000112.6Q30 Y37 T38Q30-S34 VanDerWaalsContact O-CB 3.28Å; Q30-S34 WeakPolarHBondContact O-CB 3.27Å; Q30-S34 PolarHBondContact O-N 3.3Å; S34-Y37 PolarHBondContact O-N 3.32Å; S34-T38 PolarHBondContact O-N 3.2Å; S34-T38 PolarHBondContact O-OG1 2.99Å
35Y57.7Low70.5Confident151 Ų151102.3 Ų102.359%0.59250%0.504SS*.Hα-helixtrans-64.1-41.6174.8-177.7-100.1000112.6T31 I32 D33 Y37 T38 N39T31-Y35 VanDerWaalsContact O-CB 3.31Å; T31-Y35 WeakPolarHBondContact O-CB 3.45Å; T31-Y35 PolarHBondContact O-N 3.48Å; I32-Y35 PolarHBondContact O-N 3Å; D33-Y35 VanDerWaalsContact C-N 3.28Å; D33-Y35 PolarHBondContact O-N 3.31Å; Y35-Y37 VanDerWaalsContact C-N 3.34Å; Y35-Y37 PolarHBondContact O-N 2.93Å; Y35-T38 WeakPolarHBondContact CA-OG1 3.49Å; Y35-T38 PolarHBondContact O-N 2.81Å; Y35-T38 PolarHBondContact O-OG1 3.02Å; Y35-T38 VanDerWaalsContact O-OG1 3.07Å; Y35-N39 WeakPolarHBondContact CE1-ND2 3.5Å; Y35-N39 WeakPolarHBondContact O-CB 3.33Å; Y35-N39 PolarHBondContact O-N 3.06Å; Y35-N39 PolarHBondContact OH-ND2 3.5Å
36K57.9Low70.7Confident119 Ų11999.6 Ų99.652%0.51748%0.484SS..Hα-helixtrans-63-39.9174.5-72.7174.8-178.5170.90111.9I32 D33 N39 N40I32-K36 HydrophobicContact CG2-CD 4.42Å; I32-K36 WeakPolarHBondContact O-CG 3.48Å; I32-K36 PolarHBondContact O-N 3.32Å; D33-K36 WeakPolarHBondContact O-CB 3.39Å; D33-K36 PolarHBondContact O-N 3.12Å; D33-K36 VanDerWaalsContact O-N 3.12Å; K36-N39 PolarHBondContact O-N 2.98Å; K36-N40 PolarHBondContact O-N 2.95Å; K36-N40 PolarHBondContact O-ND2 3.15Å
37Y53.6Low71.1Confident184 Ų18498.8 Ų98.872%0.72248%0.484SS*.Hα-helixtrans-66.1-39.4176.9-82.5-74.5000112.8D33 S34 Y35D33-Y37 WeakPolarHBondContact O-CD2 3.31Å; D33-Y37 PolarHBondContact O-N 3.32Å; S34-Y37 PolarHBondContact O-N 3.32Å; Y35-Y37 VanDerWaalsContact C-N 3.34Å; Y35-Y37 PolarHBondContact O-N 2.93Å
38T52.9Low71.7Confident90 Ų9092.9 Ų92.955%0.55246%0.458SS*.Hα-helixtrans-70.8-32.8176.432.10000112.9S34 Y35S34-T38 PolarHBondContact O-N 3.2Å; S34-T38 PolarHBondContact O-OG1 2.99Å; Y35-T38 WeakPolarHBondContact CA-OG1 3.49Å; Y35-T38 PolarHBondContact O-N 2.81Å; Y35-T38 PolarHBondContact O-OG1 3.02Å; Y35-T38 VanDerWaalsContact O-OG1 3.07Å
39N47.5Very low72.4Confident86 Ų8690.7 Ų90.746%0.4645%0.448SS..Hα-helixtrans-82-17.3176.2-88.6-2.7000114.5Y35 K36 N41Y35-N39 WeakPolarHBondContact CE1-ND2 3.5Å; Y35-N39 WeakPolarHBondContact O-CB 3.33Å; Y35-N39 PolarHBondContact O-N 3.06Å; Y35-N39 PolarHBondContact OH-ND2 3.5Å; K36-N39 PolarHBondContact O-N 2.98Å; N39-N41 PolarHBondContact O-N 2.93Å
40N51Low73.2Confident121 Ų12189.6 Ų89.665%0.64745%0.446SS*.  trans-74.752.6167-76.3-31000110.7K36 L42K36-N40 PolarHBondContact O-N 2.95Å; K36-N40 PolarHBondContact O-ND2 3.15Å; N40-L42 PolarHBondContact O-N 3.21Å
41N65.8Low74Confident96 Ų9686.8 Ų86.851%0.51344%0.438SS..  trans-57.2109.2164.8-88.8-45.9000106.2N39 M43 D44N39-N41 PolarHBondContact O-N 2.93Å; N41-M43 PolarHBondContact O-N 2.82Å; N41-D44 HydrophobicContact CB-CB 3.96Å; N41-D44 WeakPolarHBondContact O-CB 3.35Å; N41-D44 PolarHBondContact O-N 2.75Å
42L72.3Confident75.1Confident82 Ų8283 Ų8343%0.42942%0.415SS..THydrogen-bonded Turntrans-52.4-7.8177.1-78.2156.5000114.4N40 L46 R108N40-L42 PolarHBondContact O-N 3.21Å; L42-L46 WeakPolarHBondContact O-CD1 3.24Å; L42-R108 VanDerWaalsContact CD2-NH2 3.27Å
43M79.6Confident76.3Confident18 Ų1883.1 Ų83.19%0.08942%0.421CS..THydrogen-bonded Turntrans-118.1-5.1-178.3-60.1-59.3147.800113.6N41 K45 L46 F48 N65 R106 Y125N41-M43 PolarHBondContact O-N 2.82Å; M43-K45 PolarHBondContact O-N 3.4Å; M43-L46 PolarHBondContact O-N 3.19Å; M43-L46 VanDerWaalsContact O-N 3.09Å; M43-L46 HydrophobicContact SD-CD1 4.05Å; M43-F48 HydrophobicContact CE-CZ 4.44Å; M43-F48 HydrophobicContact SD-CE2 3.67Å; M43-F48 HydrophobicContact SD-CZ 3.72Å; M43-N65 VanDerWaalsContact CE-OD1 3.3Å; M43-N65 WeakPolarHBondContact CE-OD1 3.13Å; M43-R106 VanDerWaalsContact CE-NE 3.33Å; M43-R106 PolarHBondContact SD-NH1 3Å; M43-Y125 HydrophobicContact CB-CD1 4.07Å; M43-Y125 HydrophobicContact CB-CD2 4.35Å; M43-Y125 HydrophobicContact CB-CE1 3.61Å; M43-Y125 HydrophobicContact CB-CE2 3.88Å; M43-Y125 HydrophobicContact CB-CG 4.43Å; M43-Y125 VanDerWaalsContact CB-CZ 3.49Å; M43-Y125 HydrophobicContact CG-CE2 4.45Å; M43-Y125 WeakPolarHBondContact O-CD1 3.41Å; M43-Y125 WeakPolarHBondContact O-CE1 3.28Å
44D81.4Confident77.9Confident92 Ų9287.3 Ų87.349%0.49244%0.438SS..THydrogen-bonded Turntrans-59.9132.5-180-169.537.6000109.9N41 L46N41-D44 HydrophobicContact CB-CB 3.96Å; N41-D44 WeakPolarHBondContact O-CB 3.35Å; N41-D44 PolarHBondContact O-N 2.75Å; D44-L46 PolarHBondContact O-N 3.05Å
45K84.7Confident79.7Confident185 Ų18588.4 Ų88.480%0.80444%0.439SS*.THydrogen-bonded Turntrans58.211.3-176-52.7172.7-172.61760115.8M43M43-K45 PolarHBondContact O-N 3.4Å
46L92.6Very high81.5Confident16 Ų1685 Ų858%0.08443%0.43CS..  trans-87.2131.1173.2-59.7-168.4000110.9L42 M43 D44 F48 T63 N65 L67 Y125L42-L46 WeakPolarHBondContact O-CD1 3.24Å; M43-L46 PolarHBondContact O-N 3.19Å; M43-L46 VanDerWaalsContact O-N 3.09Å; M43-L46 HydrophobicContact SD-CD1 4.05Å; D44-L46 PolarHBondContact O-N 3.05Å; L46-F48 HydrophobicContact CB-CE2 4Å; L46-F48 HydrophobicContact CD1-CE2 4.46Å; L46-F48 HydrophobicContact CD1-CZ 4.33Å; L46-T63 HydrophobicContact CD1-CG2 4.14Å; L46-N65 HydrophobicContact CD1-CB 4.46Å; L46-L67 HydrophobicContact CB-CD2 4.46Å; L46-L67 HydrophobicContact CD1-CD2 4.26Å; L46-L67 HydrophobicContact CD2-CD2 4.28Å; L46-Y125 WeakPolarHBondContact O-CD1 3.27Å
47T95.6Very high83.4Confident76 Ų7680.2 Ų80.247%0.46641%0.41SS..  trans-117.9118.2172.3-58.20000109.2N127T47-N127 HydrophobicContact CG2-CB 3.68Å
48F97.2Very high85.5Confident0 Ų076.5 Ų76.50%039%0.394CS..BIsolated β-bridgetrans-91140.5176.2-64.6-98.6000110.6M43 L46 N65 F66 L67 R106 V121 Y125 R126 N127M43-F48 HydrophobicContact CE-CZ 4.44Å; M43-F48 HydrophobicContact SD-CE2 3.67Å; M43-F48 HydrophobicContact SD-CZ 3.72Å; L46-F48 HydrophobicContact CB-CE2 4Å; L46-F48 HydrophobicContact CD1-CE2 4.46Å; L46-F48 HydrophobicContact CD1-CZ 4.33Å; F48-N65 HydrophobicContact CE1-CB 4.2Å; F48-N65 HydrophobicContact CZ-CB 4.17Å; F48-F66 WeakPolarHBondContact CD1-O 3.4Å; F48-F66 WeakPolarHBondContact CE1-O 3.32Å; F48-L67 CarbonylContact C-O 3.58Å; F48-L67 WeakPolarHBondContact CA-O 3.46Å; F48-L67 HydrophobicContact CE1-CD2 4.31Å; F48-L67 HydrophobicContact CZ-CD2 4.4Å; F48-R106 HydrophobicContact CD1-CB 3.9Å; F48-R106 HydrophobicContact CE1-CB 3.57Å; F48-R106 VanDerWaalsContact CE1-CD 3.44Å; F48-R106 HydrophobicContact CE1-CG 4.14Å; F48-R106 HydrophobicContact CZ-CB 4.37Å; F48-R106 HydrophobicContact CZ-CG 4.49Å; F48-V121 HydrophobicContact CB-CG1 3.96Å; F48-V121 HydrophobicContact CB-CG2 4.48Å; F48-V121 HydrophobicContact CD1-CG2 4.17Å; F48-V121 HydrophobicContact CD2-CG1 3.59Å; F48-V121 HydrophobicContact CE2-CG1 4.26Å; F48-V121 HydrophobicContact CG-CG1 3.79Å; F48-V121 HydrophobicContact CG-CG2 4.14Å; F48-Y125 WeakPolarHBondContact CD2-O 3.21Å; F48-Y125 PolarHBondContact N-O 3.26Å; F48-R126 WeakPolarHBondContact O-CA 3.46Å; F48-N127 PolarHBondContact O-N 2.94Å; F48-N127 PolarHBondContact O-OD1 3.35Å
49T97.7Very high87.6Confident23 Ų2375.2 Ų75.214%0.14138%0.381CS..BIsolated β-bridgetrans-111.3175.1178.968.20000112.1L67 C68 V69 N127 F128T49-L67 PolarHBondContact N-O 3.01Å; T49-C68 PolarHBondContact OG1-SG 3.38Å; T49-V69 PolarHBondContact O-N 3.32Å; T49-N127 VanDerWaalsContact CA-OD1 3.29Å; T49-N127 WeakPolarHBondContact CA-OD1 3.42Å; T49-N127 VanDerWaalsContact CG2-ND2 3.32Å; T49-N127 WeakPolarHBondContact CG2-ND2 3.15Å; T49-N127 WeakPolarHBondContact CG2-OD1 3.09Å; T49-F128 WeakPolarHBondContact O-CE1 3.1Å
50K97.8Very high89.9Confident135 Ų13574 Ų7459%0.58737%0.373SS*.SBendtrans-53.4162.1167.3-70.5-175-179.2179.60110.8C52 C68 F128K50-C52 PolarHBondContact O-N 3.25Å; K50-C68 WeakPolarHBondContact O-CB 3Å; K50-F128 HydrophobicContact CD-CB 4.48Å; K50-F128 HydrophobicContact CG-CB 3.88Å; K50-F128 HydrophobicContact CG-CD1 4.19Å; K50-F128 HydrophobicContact CG-CD2 3.84Å; K50-F128 HydrophobicContact CG-CE2 4.48Å; K50-F128 HydrophobicContact CG-CG 3.68Å
51P98.2Very high91.8Very high58 Ų5875 Ų7538%0.37738%0.378SS..  trans-49.8131173.3-2735.6000111.7Y57 V69 P71P51-Y57 HydrophobicContact CB-CE1 4.2Å; P51-V69 WeakPolarHBondContact CA-O 3.36Å; P51-V69 HydrophobicContact CG-CB 4.2Å; P51-V69 HydrophobicContact CG-CG1 4.07Å; P51-P71 HydrophobicContact CB-CG 4.06Å; P51-P71 HydrophobicContact CG-CG 3.83Å
52C98Very high93Very high6 Ų674.7 Ų74.74%0.04139%0.388CS..  trans-131.967.4-179.371.70000110.4K50 E54 D55 Y57 C68K50-C52 PolarHBondContact O-N 3.25Å; C52-E54 WeakPolarHBondContact CA-OE1 3.26Å; C52-E54 WeakPolarHBondContact CB-OE1 3.49Å; C52-E54 PolarHBondContact O-N 3.31Å; C52-D55 HydrophobicContact CB-CB 4.44Å; C52-D55 PolarHBondContact O-N 2.96Å; C52-D55 VanDerWaalsContact O-N 3.12Å; C52-Y57 PolarHBondContact O-N 2.91Å; C52-C68 HydrophobicContact CB-CB 3.96Å; C52-C68 WeakPolarHBondContact CB-SG 3.45Å; C52-C68 WeakPolarHBondContact SG-CB 3.26Å; C52-C68 CovalentContact SG-SG 2.01Å; C52-C68 PolarHBondContact SG-SG 2.04Å
53P97.7Very high93.9Very high80 Ų8072 Ų7252%0.51938%0.375SS..G310 helixtrans-59.2-28.5-178.625.3-35.2000113.7D55 D56 Y57P53-D55 PolarHBondContact O-N 3.43Å; P53-D56 PolarHBondContact O-N 3.25Å; P53-Y57 HydrophobicContact CB-CE2 4.18Å
54E97.7Very high94.7Very high142 Ų14271.2 Ų71.266%0.66437%0.372SS*.G310 helixtrans-61.1-27.8175.564.9-75.4175.400113.5C52C52-E54 WeakPolarHBondContact CA-OE1 3.26Å; C52-E54 WeakPolarHBondContact CB-OE1 3.49Å; C52-E54 PolarHBondContact O-N 3.31Å
55D96.5Very high95.4Very high96 Ų9666.9 Ų66.951%0.51335%0.349SS..G310 helixtrans-107.422.4-179-63.5-30.8000112.4C52 P53 Y57 R58C52-D55 HydrophobicContact CB-CB 4.44Å; C52-D55 PolarHBondContact O-N 2.96Å; C52-D55 VanDerWaalsContact O-N 3.12Å; P53-D55 PolarHBondContact O-N 3.43Å; D55-Y57 PolarHBondContact O-N 2.89Å; D55-R58 HydrophobicContact CB-CG 3.76Å; D55-R58 PolarHBondContact O-N 3.33Å
56D96.6Very high96Very high79 Ų7958.2 Ų58.242%0.42231%0.311SS..THydrogen-bonded Turntrans45.938.7-173.9-160.741.9000112.7P53 R58 K82P53-D56 PolarHBondContact O-N 3.25Å; D56-R58 PolarHBondContact O-N 3.16Å; D56-R58 VanDerWaalsContact O-N 3.12Å; D56-K82 IonicContact OD1-NZ 3.05Å; D56-K82 PolarHBondContact OD1-NZ 2.98Å; D56-K82 IonicContact OD2-NZ 3.88Å
57Y98.1Very high96.2Very high20 Ų2058.3 Ų58.38%0.07831%0.312CS..THydrogen-bonded Turntrans61.215.2-180-62.2-91000116.1P51 C52 P53 D55 F66 L67 C68 V69 V70 L75 L79P51-Y57 HydrophobicContact CB-CE1 4.2Å; C52-Y57 PolarHBondContact O-N 2.91Å; P53-Y57 HydrophobicContact CB-CE2 4.18Å; D55-Y57 PolarHBondContact O-N 2.89Å; Y57-F66 CarbonylContact O-C 3.46Å; Y57-L67 PolarHBondContact O-N 2.98Å; Y57-L67 VanDerWaalsContact O-N 3.13Å; Y57-C68 HydrophobicContact CD1-CB 3.92Å; Y57-C68 PolarHBondContact O-N 3.42Å; Y57-C68 VanDerWaalsContact O-N 3.14Å; Y57-V69 WeakPolarHBondContact CD1-O 3.17Å; Y57-V69 VanDerWaalsContact CE1-O 3.28Å; Y57-V69 WeakPolarHBondContact CE1-O 3.31Å; Y57-V70 HydrophobicContact CD1-CG2 3.74Å; Y57-V70 HydrophobicContact CE1-CG2 4.27Å; Y57-V70 HydrophobicContact CG-CG2 4.08Å; Y57-L75 HydrophobicContact CE1-CD2 4.48Å; Y57-L75 HydrophobicContact CE2-CD2 3.85Å; Y57-L75 HydrophobicContact CE2-CG 4.45Å; Y57-L75 WeakPolarHBondContact OH-CD2 3.45Å; Y57-L79 HydrophobicContact CD2-CD1 3.55Å; Y57-L79 HydrophobicContact CD2-CD2 4.17Å; Y57-L79 HydrophobicContact CD2-CG 4.5Å; Y57-L79 HydrophobicContact CE2-CD1 4.07Å; Y57-L79 HydrophobicContact CG-CD1 3.97Å
58R97Very high96.3Very high106 Ų10654.7 Ų54.740%0.429%0.29SS..  trans52.368.6173.1-65.7172.857.4-153.2-1.4113.2D55 D56 L67D55-R58 HydrophobicContact CB-CG 3.76Å; D55-R58 PolarHBondContact O-N 3.33Å; D56-R58 PolarHBondContact O-N 3.16Å; D56-R58 VanDerWaalsContact O-N 3.12Å; R58-L67 HydrophobicContact CB-CB 4.14Å; R58-L67 PolarHBondContact O-N 2.97Å
59F96.9Very high96.4Very high62 Ų6254.7 Ų54.727%0.27229%0.29SS..EExtended strand (participates in β ladder)trans-63.1133.4175.9-175.3-109.6000112.3N61 G64 F66 L83 C109F59-N61 WeakPolarHBondContact CD1-OD1 3.42Å; F59-N61 WeakPolarHBondContact CE1-OD1 3.04Å; F59-G64 VanDerWaalsContact CE2-C 3.45Å; F59-G64 VanDerWaalsContact CE2-O 3.24Å; F59-G64 WeakPolarHBondContact CE2-O 3.22Å; F59-F66 HydrophobicContact CB-CD1 4.09Å; F59-F66 HydrophobicContact CB-CE1 3.96Å; F59-F66 HydrophobicContact CD2-CD1 4.19Å; F59-F66 HydrophobicContact CD2-CD2 4.15Å; F59-F66 AromaticContact CD2-CE1 3.93Å; F59-F66 HydrophobicContact CD2-CE1 3.93Å; F59-F66 AromaticContact CD2-CE2 3.88Å; F59-F66 HydrophobicContact CD2-CE2 3.88Å; F59-F66 HydrophobicContact CD2-CG 4.32Å; F59-F66 AromaticContact CD2-CZ 3.76Å; F59-F66 HydrophobicContact CD2-CZ 3.76Å; F59-F66 HydrophobicContact CE2-CE2 4.28Å; F59-F66 HydrophobicContact CE2-CZ 4.42Å; F59-F66 HydrophobicContact CG-CE1 4.35Å; F59-L83 HydrophobicContact CD1-CD1 4.22Å; F59-L83 HydrophobicContact CD1-CD2 4.41Å; F59-L83 HydrophobicContact CD2-CD1 3.51Å; F59-L83 HydrophobicContact CE1-CD1 4.03Å; F59-L83 HydrophobicContact CE1-CD2 4.32Å; F59-L83 HydrophobicContact CE2-CD1 3.28Å; F59-L83 HydrophobicContact CG-CD1 3.98Å; F59-L83 HydrophobicContact CZ-CD1 3.57Å; F59-C109 HydrophobicContact CE2-CB 4.31Å
60H94.9Very high96.4Very high62 Ų6253.6 Ų53.629%0.28728%0.283SS..EExtended strand (participates in β ladder)trans-111.898.4-178.9-176.5-106.7000110.8A62 T63 G64 N65 L67H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 3.01Å; H60-A62 VanDerWaalsContact O-N 3.14Å; H60-T63 PolarHBondContact ND1-OG1 3.4Å; H60-T63 PolarHBondContact O-N 3.07Å; H60-T63 VanDerWaalsContact O-N 3.11Å; H60-G64 WeakPolarHBondContact O-CA 2.96Å; H60-G64 PolarHBondContact O-N 3.43Å; H60-N65 WeakPolarHBondContact CB-O 3.44Å; H60-N65 PolarHBondContact N-O 3.38Å; H60-L67 HydrophobicContact CB-CD1 3.94Å; H60-L67 HydrophobicContact CB-CD2 4.09Å; H60-L67 HydrophobicContact CB-CG 3.87Å
61N92.4Very high96.4Very high141 Ų14148.6 Ų48.675%0.75427%0.265SS*.THydrogen-bonded Turntrans-50.6-41.6-173.3-71.7-12.4000114F59 T63F59-N61 WeakPolarHBondContact CD1-OD1 3.42Å; F59-N61 WeakPolarHBondContact CE1-OD1 3.04Å; N61-T63 VanDerWaalsContact C-N 3.28Å; N61-T63 PolarHBondContact O-N 3.16Å
62A90.3Very high96.4Very high89 Ų8947 Ų4774%0.73625%0.253SS*.THydrogen-bonded Turntrans-68.1-25.1-174.300000113.6H60H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 3.01Å; H60-A62 VanDerWaalsContact O-N 3.14Å
63T92Very high96.4Very high25 Ų2546.7 Ų46.715%0.15325%0.251CS..THydrogen-bonded Turntrans-118.9-10.6-179.765.30000113.7L46 H60 N61 N65 R108L46-T63 HydrophobicContact CD1-CG2 4.14Å; H60-T63 PolarHBondContact ND1-OG1 3.4Å; H60-T63 PolarHBondContact O-N 3.07Å; H60-T63 VanDerWaalsContact O-N 3.11Å; N61-T63 VanDerWaalsContact C-N 3.28Å; N61-T63 PolarHBondContact O-N 3.16Å; T63-N65 VanDerWaalsContact CB-ND2 3.3Å; T63-N65 WeakPolarHBondContact CB-ND2 3.1Å; T63-N65 PolarHBondContact O-N 3.11Å; T63-N65 PolarHBondContact O-ND2 3.46Å; T63-N65 PolarHBondContact OG1-ND2 2.91Å; T63-R108 PolarHBondContact O-NE 3.12Å
64G94.5Very high96.5Very high3 Ų347 Ų473%0.03125%0.245CC..THydrogen-bonded Turntrans72.39.4-174.800000114.1F59 H60 R108 C109F59-G64 VanDerWaalsContact CE2-C 3.45Å; F59-G64 VanDerWaalsContact CE2-O 3.24Å; F59-G64 WeakPolarHBondContact CE2-O 3.22Å; H60-G64 WeakPolarHBondContact O-CA 2.96Å; H60-G64 PolarHBondContact O-N 3.43Å; G64-R108 CarbonylContact O-C 3.53Å; G64-R108 WeakPolarHBondContact O-CA 3.2Å; G64-R108 VanDerWaalsContact O-CG 3.31Å; G64-R108 WeakPolarHBondContact O-CG 3.19Å; G64-C109 WeakPolarHBondContact CA-O 3.27Å; G64-C109 PolarHBondContact O-N 2.92Å
65N96.1Very high96.5Very high0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans-85.8145.8-178-73.3-86.3000111.4M43 L46 F48 H60 T63 L67 R106M43-N65 VanDerWaalsContact CE-OD1 3.3Å; M43-N65 WeakPolarHBondContact CE-OD1 3.13Å; L46-N65 HydrophobicContact CD1-CB 4.46Å; F48-N65 HydrophobicContact CE1-CB 4.2Å; F48-N65 HydrophobicContact CZ-CB 4.17Å; H60-N65 WeakPolarHBondContact CB-O 3.44Å; H60-N65 PolarHBondContact N-O 3.38Å; T63-N65 VanDerWaalsContact CB-ND2 3.3Å; T63-N65 WeakPolarHBondContact CB-ND2 3.1Å; T63-N65 PolarHBondContact O-N 3.11Å; T63-N65 PolarHBondContact O-ND2 3.46Å; T63-N65 PolarHBondContact OG1-ND2 2.91Å; N65-L67 HydrophobicContact CB-CD2 4.31Å; N65-R106 WeakPolarHBondContact OD1-CD 3.43Å
66F97.7Very high96.6Very high3 Ų338 Ų381%0.01320%0.201CC..EExtended strand (participates in β ladder)trans-84.9119.9159.6-67.1-91000108.3F48 Y57 F59 C68 V70 L79 L83 C107F48-F66 WeakPolarHBondContact CD1-O 3.4Å; F48-F66 WeakPolarHBondContact CE1-O 3.32Å; Y57-F66 CarbonylContact O-C 3.46Å; F59-F66 HydrophobicContact CB-CD1 4.09Å; F59-F66 HydrophobicContact CB-CE1 3.96Å; F59-F66 HydrophobicContact CD2-CD1 4.19Å; F59-F66 HydrophobicContact CD2-CD2 4.15Å; F59-F66 AromaticContact CD2-CE1 3.93Å; F59-F66 HydrophobicContact CD2-CE1 3.93Å; F59-F66 AromaticContact CD2-CE2 3.88Å; F59-F66 HydrophobicContact CD2-CE2 3.88Å; F59-F66 HydrophobicContact CD2-CG 4.32Å; F59-F66 AromaticContact CD2-CZ 3.76Å; F59-F66 HydrophobicContact CD2-CZ 3.76Å; F59-F66 HydrophobicContact CE2-CE2 4.28Å; F59-F66 HydrophobicContact CE2-CZ 4.42Å; F59-F66 HydrophobicContact CG-CE1 4.35Å; F66-C68 PolarHBondContact O-N 3.31Å; F66-V70 HydrophobicContact CB-CG2 4.31Å; F66-L79 HydrophobicContact CD1-CD1 4.43Å; F66-L79 HydrophobicContact CE1-CB 3.96Å; F66-L79 HydrophobicContact CE1-CD1 4.31Å; F66-L79 HydrophobicContact CE1-CD2 4.43Å; F66-L79 HydrophobicContact CE1-CG 4.47Å; F66-L79 HydrophobicContact CE2-CB 4.13Å; F66-L79 HydrophobicContact CZ-CB 3.59Å; F66-L83 HydrophobicContact CE1-CD1 4.45Å; F66-L83 HydrophobicContact CE2-CD1 4.09Å; F66-L83 HydrophobicContact CZ-CD1 3.56Å; F66-C107 HydrophobicContact CB-CB 4.26Å; F66-C107 HydrophobicContact CD2-CB 3.56Å; F66-C107 HydrophobicContact CE2-CB 4.26Å; F66-C107 HydrophobicContact CG-CB 4.18Å; F66-C107 PolarHBondContact N-O 2.72Å
67L97.3Very high96.7Very high19 Ų1936.1 Ų36.110%0.09919%0.189CC..SBendtrans-80.91-174.3-59.3-177.4000113.4L46 F48 T49 Y57 R58 H60 N65L46-L67 HydrophobicContact CB-CD2 4.46Å; L46-L67 HydrophobicContact CD1-CD2 4.26Å; L46-L67 HydrophobicContact CD2-CD2 4.28Å; F48-L67 CarbonylContact C-O 3.58Å; F48-L67 WeakPolarHBondContact CA-O 3.46Å; F48-L67 HydrophobicContact CE1-CD2 4.31Å; F48-L67 HydrophobicContact CZ-CD2 4.4Å; T49-L67 PolarHBondContact N-O 3.01Å; Y57-L67 PolarHBondContact O-N 2.98Å; Y57-L67 VanDerWaalsContact O-N 3.13Å; R58-L67 HydrophobicContact CB-CB 4.14Å; R58-L67 PolarHBondContact O-N 2.97Å; H60-L67 HydrophobicContact CB-CD1 3.94Å; H60-L67 HydrophobicContact CB-CD2 4.09Å; H60-L67 HydrophobicContact CB-CG 3.87Å; N65-L67 HydrophobicContact CB-CD2 4.31Å
68C98.2Very high96.7Very high0 Ų040.9 Ų40.90%021%0.21CC..BIsolated β-bridgetrans-108.2145.3164.8-63.70000110.7T49 K50 C52 Y57 F66 V70T49-C68 PolarHBondContact OG1-SG 3.38Å; K50-C68 WeakPolarHBondContact O-CB 3Å; C52-C68 HydrophobicContact CB-CB 3.96Å; C52-C68 WeakPolarHBondContact CB-SG 3.45Å; C52-C68 WeakPolarHBondContact SG-CB 3.26Å; C52-C68 CovalentContact SG-SG 2.01Å; C52-C68 PolarHBondContact SG-SG 2.04Å; Y57-C68 HydrophobicContact CD1-CB 3.92Å; Y57-C68 PolarHBondContact O-N 3.42Å; Y57-C68 VanDerWaalsContact O-N 3.14Å; F66-C68 PolarHBondContact O-N 3.31Å; C68-V70 PolarHBondContact O-N 2.95Å
69V98Very high96.7Very high0 Ų036 Ų360%019%0.192CC..  trans-55.8133.8171.4162.30000110.2T49 P51 Y57 N103 H105 F128T49-V69 PolarHBondContact O-N 3.32Å; P51-V69 WeakPolarHBondContact CA-O 3.36Å; P51-V69 HydrophobicContact CG-CB 4.2Å; P51-V69 HydrophobicContact CG-CG1 4.07Å; Y57-V69 WeakPolarHBondContact CD1-O 3.17Å; Y57-V69 VanDerWaalsContact CE1-O 3.28Å; Y57-V69 WeakPolarHBondContact CE1-O 3.31Å; V69-N103 WeakPolarHBondContact CG1-O 3.26Å; V69-H105 WeakPolarHBondContact CA-O 3.15Å; V69-H105 WeakPolarHBondContact CG1-O 3.2Å; V69-F128 HydrophobicContact CG2-CE1 4.08Å; V69-F128 HydrophobicContact CG2-CE2 4.47Å; V69-F128 HydrophobicContact CG2-CZ 3.5Å; V69-F128 VanDerWaalsContact CG2-CZ 3.5Å
70V98.4Very high96.8Very high0 Ų033.1 Ų33.10%018%0.179CC..  trans-102.8112.9175.3-1780000108.2Y57 F66 C68 T72 L75 C76 L79 H105 C107 Y118Y57-V70 HydrophobicContact CD1-CG2 3.74Å; Y57-V70 HydrophobicContact CE1-CG2 4.27Å; Y57-V70 HydrophobicContact CG-CG2 4.08Å; F66-V70 HydrophobicContact CB-CG2 4.31Å; C68-V70 PolarHBondContact O-N 2.95Å; V70-T72 VanDerWaalsContact C-N 3.28Å; V70-T72 PolarHBondContact O-N 3.36Å; V70-T72 VanDerWaalsContact O-N 3.17Å; V70-L75 HydrophobicContact CG1-CB 3.91Å; V70-L75 HydrophobicContact CG1-CD2 4.06Å; V70-L75 HydrophobicContact CG1-CG 3.84Å; V70-C76 HydrophobicContact CB-CB 4.44Å; V70-C76 HydrophobicContact CG1-CB 3.86Å; V70-L79 HydrophobicContact CG1-CD1 4.11Å; V70-L79 HydrophobicContact CG2-CD1 3.96Å; V70-H105 PolarHBondContact N-O 3.43Å; V70-C107 HydrophobicContact CB-CB 4.05Å; V70-C107 HydrophobicContact CG2-CB 3.56Å; V70-Y118 HydrophobicContact CB-CE2 4.34Å; V70-Y118 WeakPolarHBondContact O-CE2 3.42Å; V70-Y118 PolarHBondContact O-OH 3.05Å
71P97.9Very high96.9Very high30 Ų3034.6 Ų34.620%0.19519%0.186CC..SBendtrans-61.8-28.5-168.6-28.535.1000115.4P51 I101 K102 Y118P51-P71 HydrophobicContact CB-CG 4.06Å; P51-P71 HydrophobicContact CG-CG 3.83Å; P71-I101 HydrophobicContact CB-CG2 4.46Å; P71-I101 CarbonylContact O-C 3.47Å; P71-I101 VanDerWaalsContact O-CA 3.27Å; P71-I101 WeakPolarHBondContact O-CA 3.34Å; P71-K102 PolarHBondContact O-N 3.09Å; P71-Y118 VanDerWaalsContact C-OH 3.25Å; P71-Y118 PolarHBondContact O-OH 3.31Å; P71-Y118 VanDerWaalsContact O-OH 3.12Å
72T98.4Very high97.1Very high23 Ų2334.6 Ų34.614%0.14118%0.18CC..  trans-136.1150.6-17667.50000112.1V70 K74 L75 C76 N99 I101 Y118V70-T72 VanDerWaalsContact C-N 3.28Å; V70-T72 PolarHBondContact O-N 3.36Å; V70-T72 VanDerWaalsContact O-N 3.17Å; T72-K74 VanDerWaalsContact C-N 3.25Å; T72-K74 PolarHBondContact O-N 2.82Å; T72-L75 PolarHBondContact O-N 3.29Å; T72-L75 WeakPolarHBondContact OG1-CB 3.17Å; T72-L75 PolarHBondContact OG1-N 3.11Å; T72-C76 PolarHBondContact O-N 2.04Å; T72-N99 WeakPolarHBondContact CG2-O 3.46Å; T72-I101 HydrophobicContact CG2-CG1 4.34Å; T72-Y118 WeakPolarHBondContact CA-OH 3.37Å; T72-Y118 PolarHBondContact N-OH 3.34Å
73A98.3Very high97.4Very high0 Ų033.7 Ų33.70%016%0.162CC..Hα-helixtrans-60.8-37.4174.400000111.6L75 C76 F77 W88 I94 P95 S96 Y118A73-L75 VanDerWaalsContact C-N 3.33Å; A73-L75 PolarHBondContact O-N 3.09Å; A73-C76 WeakPolarHBondContact O-CB 3.45Å; A73-C76 PolarHBondContact O-N 2.84Å; A73-F77 PolarHBondContact O-N 3.47Å; A73-W88 HydrophobicContact CB-CH2 3.8Å; A73-W88 HydrophobicContact CB-CZ2 3.9Å; A73-I94 HydrophobicContact CB-CB 4.44Å; A73-I94 HydrophobicContact CB-CG2 3.71Å; A73-P95 VanDerWaalsContact CB-O 3.26Å; A73-P95 WeakPolarHBondContact CB-O 3.49Å; A73-S96 CarbonylContact C-O 3.4Å; A73-S96 VanDerWaalsContact C-O 3.27Å; A73-Y118 HydrophobicContact CB-CD1 3.75Å; A73-Y118 HydrophobicContact CB-CE1 3.9Å; A73-Y118 HydrophobicContact CB-CG 4.36Å
74K98.5Very high97.6Very high87 Ų8734.2 Ų34.238%0.37817%0.173SC..Hα-helixtrans-59.3-42.2175.6-170.8177.9-174.8175.10113T72 K78 S96 S98 N99T72-K74 VanDerWaalsContact C-N 3.25Å; T72-K74 PolarHBondContact O-N 2.82Å; K74-K78 WeakPolarHBondContact O-CG 3.12Å; K74-K78 PolarHBondContact O-N 2.82Å; K74-S96 WeakPolarHBondContact CA-O 3.21Å; K74-S96 PolarHBondContact N-O 2.91Å; K74-S98 WeakPolarHBondContact CB-O 3.41Å; K74-S98 PolarHBondContact N-O 3.12Å; K74-S98 VanDerWaalsContact N-O 3.13Å; K74-N99 VanDerWaalsContact CD-OD1 3.27Å; K74-N99 WeakPolarHBondContact CD-OD1 3.46Å
75L98.6Very high97.8Very high50 Ų5034.1 Ų34.126%0.26217%0.171SC..Hα-helixtrans-70.1-42.9176.1-178.357000111.2Y57 V70 T72 A73 F77 K78 L79Y57-L75 HydrophobicContact CE1-CD2 4.48Å; Y57-L75 HydrophobicContact CE2-CD2 3.85Å; Y57-L75 HydrophobicContact CE2-CG 4.45Å; Y57-L75 WeakPolarHBondContact OH-CD2 3.45Å; V70-L75 HydrophobicContact CG1-CB 3.91Å; V70-L75 HydrophobicContact CG1-CD2 4.06Å; V70-L75 HydrophobicContact CG1-CG 3.84Å; T72-L75 PolarHBondContact O-N 3.29Å; T72-L75 WeakPolarHBondContact OG1-CB 3.17Å; T72-L75 PolarHBondContact OG1-N 3.11Å; A73-L75 VanDerWaalsContact C-N 3.33Å; A73-L75 PolarHBondContact O-N 3.09Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 2.95Å; L75-K78 PolarHBondContact O-N 2.91Å; L75-L79 HydrophobicContact CD1-CD1 4.44Å; L75-L79 HydrophobicContact CD1-CG 4.31Å; L75-L79 HydrophobicContact CG-CD1 4.12Å; L75-L79 HydrophobicContact CG-CG 4.46Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.39Å
76C98.4Very high97.8Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-56-46.9176.3173.10000111.6V70 T72 A73 K78 L79 C80 C107 C116 Y118V70-C76 HydrophobicContact CB-CB 4.44Å; V70-C76 HydrophobicContact CG1-CB 3.86Å; T72-C76 PolarHBondContact O-N 2.04Å; A73-C76 WeakPolarHBondContact O-CB 3.45Å; A73-C76 PolarHBondContact O-N 2.84Å; C76-K78 PolarHBondContact O-N 3.34Å; C76-L79 PolarHBondContact O-N 2.73Å; C76-L79 VanDerWaalsContact O-N 3.16Å; C76-C80 PolarHBondContact O-N 3.1Å; C76-C107 VanDerWaalsContact C-SG 3.57Å; C76-C107 WeakPolarHBondContact CA-SG 3.33Å; C76-C107 HydrophobicContact CB-CB 3.7Å; C76-C107 WeakPolarHBondContact CB-SG 3.4Å; C76-C107 PolarHBondContact O-SG 3.05Å; C76-C107 VanDerWaalsContact SG-CA 3.51Å; C76-C107 WeakPolarHBondContact SG-CB 3.07Å; C76-C107 CovalentContact SG-SG 2.04Å; C76-C107 PolarHBondContact SG-SG 3.05Å; C76-C116 PolarHBondContact SG-SG 3.28Å; C76-Y118 HydrophobicContact CB-CD2 3.72Å; C76-Y118 HydrophobicContact CB-CE2 4.16Å; C76-Y118 HydrophobicContact CB-CG 4.39Å
77F98.2Very high97.8Very high38 Ų3842.6 Ų42.617%0.16722%0.216CC..Hα-helixtrans-64.5-40.5-179.3-166.9-140.1000112.4A73 L75 L79 C80 Q81 T86 W88 C116A73-F77 PolarHBondContact O-N 3.47Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 2.95Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.45Å; F77-C80 PolarHBondContact O-N 2.97Å; F77-Q81 HydrophobicContact CD2-CG 4.41Å; F77-Q81 HydrophobicContact CE2-CG 4.29Å; F77-Q81 HydrophobicContact CZ-CG 4.46Å; F77-Q81 WeakPolarHBondContact O-CB 3.34Å; F77-Q81 VanDerWaalsContact O-CG 3.26Å; F77-Q81 WeakPolarHBondContact O-CG 3.24Å; F77-Q81 PolarHBondContact O-N 2.82Å; F77-T86 WeakPolarHBondContact CE2-O 3.07Å; F77-T86 VanDerWaalsContact CZ-O 3.24Å; F77-T86 WeakPolarHBondContact CZ-O 3.32Å; F77-W88 HydrophobicContact CB-CE3 4.08Å; F77-W88 HydrophobicContact CB-CZ3 3.82Å; F77-W88 AromaticContact CD2-CE3 3.75Å; F77-W88 HydrophobicContact CD2-CE3 3.75Å; F77-W88 HydrophobicContact CD2-CZ3 4.24Å; F77-W88 HydrophobicContact CE2-CE3 4.44Å; F77-W88 HydrophobicContact CG-CE3 4.06Å; F77-W88 HydrophobicContact CG-CZ3 4.31Å; F77-C116 HydrophobicContact CD2-CB 4.08Å
78K98.4Very high97.8Very high120 Ų12043.9 Ų43.952%0.52222%0.22SC..Hα-helixtrans-59.8-42.5172.8-74.2-179.1175.3-169.10112.5K74 L75 C76 Q81 K82K74-K78 WeakPolarHBondContact O-CG 3.12Å; K74-K78 PolarHBondContact O-N 2.82Å; L75-K78 PolarHBondContact O-N 2.91Å; C76-K78 PolarHBondContact O-N 3.34Å; K78-Q81 PolarHBondContact O-N 3.34Å; K78-K82 PolarHBondContact O-N 2.9Å
79L98.4Very high97.7Very high5 Ų546.3 Ų46.33%0.02623%0.229CC..Hα-helixtrans-64.9-44.2177.7-68.7169.6000111.4Y57 F66 V70 L75 C76 F77 Q81 K82Y57-L79 HydrophobicContact CD2-CD1 3.55Å; Y57-L79 HydrophobicContact CD2-CD2 4.17Å; Y57-L79 HydrophobicContact CD2-CG 4.5Å; Y57-L79 HydrophobicContact CE2-CD1 4.07Å; Y57-L79 HydrophobicContact CG-CD1 3.97Å; F66-L79 HydrophobicContact CD1-CD1 4.43Å; F66-L79 HydrophobicContact CE1-CB 3.96Å; F66-L79 HydrophobicContact CE1-CD1 4.31Å; F66-L79 HydrophobicContact CE1-CD2 4.43Å; F66-L79 HydrophobicContact CE1-CG 4.47Å; F66-L79 HydrophobicContact CE2-CB 4.13Å; F66-L79 HydrophobicContact CZ-CB 3.59Å; V70-L79 HydrophobicContact CG1-CD1 4.11Å; V70-L79 HydrophobicContact CG2-CD1 3.96Å; L75-L79 HydrophobicContact CD1-CD1 4.44Å; L75-L79 HydrophobicContact CD1-CG 4.31Å; L75-L79 HydrophobicContact CG-CD1 4.12Å; L75-L79 HydrophobicContact CG-CG 4.46Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.39Å; C76-L79 PolarHBondContact O-N 2.73Å; C76-L79 VanDerWaalsContact O-N 3.16Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.45Å; L79-Q81 VanDerWaalsContact C-N 3.35Å; L79-Q81 PolarHBondContact O-N 3.29Å; L79-K82 WeakPolarHBondContact O-CB 3.42Å; L79-K82 PolarHBondContact O-N 3.16Å
80C98.1Very high97.1Very high0 Ų054.8 Ų54.80%026%0.263CS..Hα-helixtrans-59.9-41.1173.6-77.70000112.9C76 F77 K82 L83 G84 C85 C109 C116C76-C80 PolarHBondContact O-N 3.1Å; F77-C80 PolarHBondContact O-N 2.97Å; C80-K82 VanDerWaalsContact C-N 3.29Å; C80-K82 PolarHBondContact O-N 3.26Å; C80-L83 CarbonylContact O-C 3.5Å; C80-L83 WeakPolarHBondContact O-CA 3.43Å; C80-L83 WeakPolarHBondContact O-CB 3.27Å; C80-L83 PolarHBondContact O-N 2.75Å; C80-G84 PolarHBondContact O-N 3.38Å; C80-C85 CarbonylContact C-O 3.51Å; C80-C85 HydrophobicContact CB-CB 3.79Å; C80-C85 PolarHBondContact O-N 2.87Å; C80-C109 HydrophobicContact CB-CB 4.49Å; C80-C116 HydrophobicContact CB-CB 3.5Å; C80-C116 VanDerWaalsContact CB-CB 3.5Å; C80-C116 WeakPolarHBondContact CB-SG 3.42Å; C80-C116 WeakPolarHBondContact SG-CB 3.13Å; C80-C116 CovalentContact SG-SG 2.04Å; C80-C116 PolarHBondContact SG-SG 2.82Å
81Q97.6Very high96.6Very high93 Ų9358.5 Ų58.544%0.43528%0.281SS..Hα-helixtrans-62.9-35.1179.7-76.9174.8-34.100112.4F77 K78 L79 L83 G84 C85F77-Q81 HydrophobicContact CD2-CG 4.41Å; F77-Q81 HydrophobicContact CE2-CG 4.29Å; F77-Q81 HydrophobicContact CZ-CG 4.46Å; F77-Q81 WeakPolarHBondContact O-CB 3.34Å; F77-Q81 VanDerWaalsContact O-CG 3.26Å; F77-Q81 WeakPolarHBondContact O-CG 3.24Å; F77-Q81 PolarHBondContact O-N 2.82Å; K78-Q81 PolarHBondContact O-N 3.34Å; L79-Q81 VanDerWaalsContact C-N 3.35Å; L79-Q81 PolarHBondContact O-N 3.29Å; Q81-L83 PolarHBondContact O-N 3.42Å; Q81-L83 VanDerWaalsContact O-N 3.16Å; Q81-G84 PolarHBondContact O-N 3.25Å; Q81-G84 VanDerWaalsContact O-N 3.11Å; Q81-C85 PolarHBondContact N-O 3.25Å
82K96.7Very high96Very high141 Ų14157.2 Ų57.261%0.61327%0.272SS*.Hα-helixtrans-58.7-25.5172.1-64.5178.6-177.4-179.90112.7D56 K78 L79 C80D56-K82 IonicContact OD1-NZ 3.05Å; D56-K82 PolarHBondContact OD1-NZ 2.98Å; D56-K82 IonicContact OD2-NZ 3.88Å; K78-K82 PolarHBondContact O-N 2.9Å; L79-K82 WeakPolarHBondContact O-CB 3.42Å; L79-K82 PolarHBondContact O-N 3.16Å; C80-K82 VanDerWaalsContact C-N 3.29Å; C80-K82 PolarHBondContact O-N 3.26Å
83L96.2Very high95.6Very high71 Ų7164.5 Ų64.537%0.37230%0.303SS..THydrogen-bonded Turntrans-100.46.7-178.1-58.7171.7000113F59 F66 C80 Q81 C109F59-L83 HydrophobicContact CD1-CD1 4.22Å; F59-L83 HydrophobicContact CD1-CD2 4.41Å; F59-L83 HydrophobicContact CD2-CD1 3.51Å; F59-L83 HydrophobicContact CE1-CD1 4.03Å; F59-L83 HydrophobicContact CE1-CD2 4.32Å; F59-L83 HydrophobicContact CE2-CD1 3.28Å; F59-L83 HydrophobicContact CG-CD1 3.98Å; F59-L83 HydrophobicContact CZ-CD1 3.57Å; F66-L83 HydrophobicContact CE1-CD1 4.45Å; F66-L83 HydrophobicContact CE2-CD1 4.09Å; F66-L83 HydrophobicContact CZ-CD1 3.56Å; C80-L83 CarbonylContact O-C 3.5Å; C80-L83 WeakPolarHBondContact O-CA 3.43Å; C80-L83 WeakPolarHBondContact O-CB 3.27Å; C80-L83 PolarHBondContact O-N 2.75Å; Q81-L83 PolarHBondContact O-N 3.42Å; Q81-L83 VanDerWaalsContact O-N 3.16Å; L83-C109 HydrophobicContact CB-CB 4.45Å; L83-C109 HydrophobicContact CD1-CB 4.01Å
84G96.6Very high95.4Very high36 Ų3665.6 Ų65.637%0.37131%0.308SS..THydrogen-bonded Turntrans80.611-178.700000115C80 Q81 T86 H114C80-G84 PolarHBondContact O-N 3.38Å; Q81-G84 PolarHBondContact O-N 3.25Å; Q81-G84 VanDerWaalsContact O-N 3.11Å; G84-T86 PolarHBondContact O-N 3.31Å; G84-H114 PolarHBondContact O-ND1 3.17Å
85C97.5Very high95.3Very high0 Ų065.8 Ų65.80%032%0.318CS..  trans-89100.1169.9-76.80000110C80 Q81 C109 F110 H114 F115C80-C85 CarbonylContact C-O 3.51Å; C80-C85 HydrophobicContact CB-CB 3.79Å; C80-C85 PolarHBondContact O-N 2.87Å; Q81-C85 PolarHBondContact N-O 3.25Å; C85-C109 HydrophobicContact CB-CB 3.88Å; C85-C109 WeakPolarHBondContact CB-SG 3.48Å; C85-C109 VanDerWaalsContact SG-C 3.6Å; C85-C109 WeakPolarHBondContact SG-CA 3.38Å; C85-C109 WeakPolarHBondContact SG-CB 3.43Å; C85-C109 CovalentContact SG-SG 2.04Å; C85-C109 PolarHBondContact SG-SG 2.97Å; C85-F110 PolarHBondContact SG-N 3.36Å; C85-F110 VanDerWaalsContact SG-N 3.36Å; C85-H114 CarbonylContact C-O 3.29Å; C85-H114 VanDerWaalsContact C-O 3.29Å; C85-H114 WeakPolarHBondContact CA-O 3.47Å; C85-H114 WeakPolarHBondContact CB-O 3.48Å; C85-F115 PolarHBondContact SG-O 2.97Å; C85-F115 VanDerWaalsContact SG-O 3.4Å
86T96.5Very high95.2Very high76 Ų7665.1 Ų65.147%0.46632%0.318SS..  trans-101.8-10.5-174.854.60000114.2F77 G84 H114F77-T86 WeakPolarHBondContact CE2-O 3.07Å; F77-T86 VanDerWaalsContact CZ-O 3.24Å; F77-T86 WeakPolarHBondContact CZ-O 3.32Å; G84-T86 PolarHBondContact O-N 3.31Å; T86-H114 PolarHBondContact N-O 2.77Å
87E97.4Very high95.2Very high105 Ų10567.5 Ų67.549%0.49134%0.343SS..EExtended strand (participates in β ladder)trans-101.3133.2-176.7-66.4-57.7146.700111H114 F115 C116E87-H114 PolarHBondContact N-O 3.17Å; E87-F115 HydrophobicContact CB-CD1 3.4Å; E87-F115 VanDerWaalsContact CB-CD1 3.4Å; E87-F115 HydrophobicContact CB-CE1 3.65Å; E87-F115 HydrophobicContact CG-CD1 4.48Å; E87-F115 HydrophobicContact CG-CE1 4.38Å; E87-F115 CarbonylContact O-C 3.49Å; E87-F115 WeakPolarHBondContact O-CA 2.98Å; E87-C116 PolarHBondContact O-N 3.14Å
88W97.6Very high95.1Very high47 Ų4766.8 Ų66.818%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-87.4123.9176.3-171.4-110.5000110.7A73 F77 Y90 I94 C116 Y118A73-W88 HydrophobicContact CB-CH2 3.8Å; A73-W88 HydrophobicContact CB-CZ2 3.9Å; F77-W88 HydrophobicContact CB-CE3 4.08Å; F77-W88 HydrophobicContact CB-CZ3 3.82Å; F77-W88 AromaticContact CD2-CE3 3.75Å; F77-W88 HydrophobicContact CD2-CE3 3.75Å; F77-W88 HydrophobicContact CD2-CZ3 4.24Å; F77-W88 HydrophobicContact CE2-CE3 4.44Å; F77-W88 HydrophobicContact CG-CE3 4.06Å; F77-W88 HydrophobicContact CG-CZ3 4.31Å; W88-Y90 PolarHBondContact O-N 3.13Å; W88-I94 VanDerWaalsContact CZ2-O 3.26Å; W88-I94 WeakPolarHBondContact CZ2-O 3.5Å; W88-I94 PolarHBondContact NE1-O 2.94Å; W88-C116 HydrophobicContact CE3-CB 3.9Å; W88-C116 HydrophobicContact CZ3-CB 4.13Å; W88-Y118 HydrophobicContact CH2-CD1 4.49Å; W88-Y118 HydrophobicContact CH2-CG 4.06Å; W88-Y118 HydrophobicContact CZ2-CG 4.43Å
89Y95.5Very high95.2Very high51 Ų5166.2 Ų66.220%0.235%0.345CS..PPolyproline II helixtrans-71.2120.2179-169.3-116.2000111M91 S92 F115 C116 F117Y89-M91 HydrophobicContact CD1-CB 3.87Å; Y89-M91 HydrophobicContact CD1-CG 4.33Å; Y89-M91 HydrophobicContact CE1-CB 3.45Å; Y89-M91 VanDerWaalsContact CE1-CB 3.45Å; Y89-M91 HydrophobicContact CE1-CG 3.58Å; Y89-M91 HydrophobicContact CE1-SD 3.79Å; Y89-M91 PolarHBondContact O-N 3.39Å; Y89-M91 VanDerWaalsContact O-N 3.16Å; Y89-M91 PolarHBondContact OH-SD 3.18Å; Y89-S92 VanDerWaalsContact O-CB 3.27Å; Y89-S92 WeakPolarHBondContact O-CB 3.3Å; Y89-S92 PolarHBondContact O-N 3.02Å; Y89-S92 PolarHBondContact O-OG 3.24Å; Y89-F115 HydrophobicContact CD2-CD1 4.43Å; Y89-F115 HydrophobicContact CD2-CD2 4.04Å; Y89-F115 HydrophobicContact CD2-CE2 4.32Å; Y89-F115 HydrophobicContact CD2-CG 4.14Å; Y89-C116 VanDerWaalsContact CB-O 3.28Å; Y89-C116 WeakPolarHBondContact CB-O 3.3Å; Y89-C116 PolarHBondContact N-O 3.42Å; Y89-F117 AromaticContact CD1-CD1 3.34Å; Y89-F117 HydrophobicContact CD1-CD1 3.34Å; Y89-F117 AromaticContact CD1-CE1 3.26Å; Y89-F117 HydrophobicContact CD1-CE1 3.26Å; Y89-F117 HydrophobicContact CD1-CG 4.41Å; Y89-F117 HydrophobicContact CD1-CZ 4.26Å; Y89-F117 HydrophobicContact CD2-CD1 4.49Å; Y89-F117 AromaticContact CD2-CE1 3.78Å; Y89-F117 HydrophobicContact CD2-CE1 3.78Å; Y89-F117 HydrophobicContact CD2-CZ 4.02Å; Y89-F117 AromaticContact CE1-CD1 3.93Å; Y89-F117 HydrophobicContact CE1-CD1 3.93Å; Y89-F117 AromaticContact CE1-CE1 3.52Å; Y89-F117 HydrophobicContact CE1-CE1 3.52Å; Y89-F117 HydrophobicContact CE2-CE1 4.05Å; Y89-F117 HydrophobicContact CE2-CZ 4.4Å; Y89-F117 AromaticContact CG-CD1 3.66Å; Y89-F117 HydrophobicContact CG-CD1 3.66Å; Y89-F117 AromaticContact CG-CE1 3.38Å; Y89-F117 HydrophobicContact CG-CE1 3.38Å; Y89-F117 HydrophobicContact CG-CG 4.46Å; Y89-F117 AromaticContact CG-CZ 3.95Å; Y89-F117 HydrophobicContact CG-CZ 3.95Å; Y89-F117 AromaticContact CZ-CE1 3.94Å
90Y86.9Confident95.1Very high178 Ų17869.8 Ų69.870%0.69837%0.367SS*.G310 helixtrans-59.4-30-172.471.6-85.8000113.8W88 S92W88-Y90 PolarHBondContact O-N 3.13Å; Y90-S92 PolarHBondContact O-N 2.04Å
91M87.5Confident95.1Very high77 Ų7775.2 Ų75.238%0.37940%0.395SS..G310 helixtrans-81.712.1176.6-45.1178.364.900114Y89 F93 N119Y89-M91 HydrophobicContact CD1-CB 3.87Å; Y89-M91 HydrophobicContact CD1-CG 4.33Å; Y89-M91 HydrophobicContact CE1-CB 3.45Å; Y89-M91 VanDerWaalsContact CE1-CB 3.45Å; Y89-M91 HydrophobicContact CE1-CG 3.58Å; Y89-M91 HydrophobicContact CE1-SD 3.79Å; Y89-M91 PolarHBondContact O-N 3.39Å; Y89-M91 VanDerWaalsContact O-N 3.16Å; Y89-M91 PolarHBondContact OH-SD 3.18Å; M91-F93 HydrophobicContact CB-CE2 4.44Å; M91-F93 HydrophobicContact CB-CZ 4.47Å; M91-F93 WeakPolarHBondContact O-CD2 3.42Å; M91-F93 WeakPolarHBondContact O-CE2 3.37Å; M91-F93 PolarHBondContact O-N 2.93Å; M91-N119 PolarHBondContact O-ND2 3.21Å
92S85.5Confident95.1Very high3 Ų374.3 Ų74.32%0.02139%0.389CS..G310 helixtrans-70.4-15.5167.1-58.30000111.9Y89 Y90 I94 Y118Y89-S92 VanDerWaalsContact O-CB 3.27Å; Y89-S92 WeakPolarHBondContact O-CB 3.3Å; Y89-S92 PolarHBondContact O-N 3.02Å; Y89-S92 PolarHBondContact O-OG 3.24Å; Y90-S92 PolarHBondContact O-N 2.04Å; S92-I94 PolarHBondContact O-N 2.94Å; S92-Y118 WeakPolarHBondContact CB-O 3.38Å; S92-Y118 PolarHBondContact OG-N 3Å; S92-Y118 VanDerWaalsContact OG-N 3.1Å
93F89.3Confident95.1Very high177 Ų17772.4 Ų72.478%0.77639%0.386SS*.  trans58.2-18.5-179.7-57.6-73.8000116.5M91M91-F93 HydrophobicContact CB-CE2 4.44Å; M91-F93 HydrophobicContact CB-CZ 4.47Å; M91-F93 WeakPolarHBondContact O-CD2 3.42Å; M91-F93 WeakPolarHBondContact O-CE2 3.37Å; M91-F93 PolarHBondContact O-N 2.93Å
94I93.7Very high95.1Very high22 Ų2273.5 Ų73.511%0.11339%0.385CS..SBendtrans-103.9127.6175.7-58.3170.4000107A73 W88 S92 K102 Y118A73-I94 HydrophobicContact CB-CB 4.44Å; A73-I94 HydrophobicContact CB-CG2 3.71Å; W88-I94 VanDerWaalsContact CZ2-O 3.26Å; W88-I94 WeakPolarHBondContact CZ2-O 3.5Å; W88-I94 PolarHBondContact NE1-O 2.94Å; S92-I94 PolarHBondContact O-N 2.94Å; I94-K102 HydrophobicContact CD1-CD 4.23Å; I94-K102 HydrophobicContact CD1-CG 3.88Å; I94-Y118 HydrophobicContact CB-CD1 4.25Å; I94-Y118 HydrophobicContact CD1-CD1 3.91Å; I94-Y118 HydrophobicContact CD1-CE1 3.72Å
95P96.5Very high95.2Very high91 Ų9172.9 Ų72.959%0.59137%0.373SS*.  trans-60.1142.3177.1-24.433.8000111.8A73 G97 S98A73-P95 VanDerWaalsContact CB-O 3.26Å; A73-P95 WeakPolarHBondContact CB-O 3.49Å; P95-G97 PolarHBondContact O-N 2.81Å; P95-G97 VanDerWaalsContact O-N 3.09Å; P95-S98 WeakPolarHBondContact O-CB 3.45Å; P95-S98 PolarHBondContact O-N 3.35Å
96S97.3Very high95.1Very high36 Ų3674.8 Ų74.825%0.25238%0.38SS..THydrogen-bonded Turntrans-55.5-28.9179.759.80000113.3A73 K74 S98A73-S96 CarbonylContact C-O 3.4Å; A73-S96 VanDerWaalsContact C-O 3.27Å; K74-S96 WeakPolarHBondContact CA-O 3.21Å; K74-S96 PolarHBondContact N-O 2.91Å; S96-S98 VanDerWaalsContact C-N 3.32Å; S96-S98 PolarHBondContact O-N 3.16Å
97G97.3Very high95.1Very high51 Ų5171.2 Ų71.253%0.52636%0.358SS..THydrogen-bonded Turntrans-80.5-3.3177.400000115.6P95P95-G97 PolarHBondContact O-N 2.81Å; P95-G97 VanDerWaalsContact O-N 3.09Å
98S97.7Very high95.1Very high22 Ų2267.9 Ų67.915%0.15434%0.341CS..  trans-70132.4-171.5-176.80000112.9K74 P95 S96 V100K74-S98 WeakPolarHBondContact CB-O 3.41Å; K74-S98 PolarHBondContact N-O 3.12Å; K74-S98 VanDerWaalsContact N-O 3.13Å; P95-S98 WeakPolarHBondContact O-CB 3.45Å; P95-S98 PolarHBondContact O-N 3.35Å; S96-S98 VanDerWaalsContact C-N 3.32Å; S96-S98 PolarHBondContact O-N 3.16Å; S98-V100 WeakPolarHBondContact OG-CB 3.01Å; S98-V100 WeakPolarHBondContact OG-CG2 3.31Å; S98-V100 PolarHBondContact OG-N 2.93Å; S98-V100 VanDerWaalsContact OG-N 3.16Å
99N98.4Very high95Very high108 Ų10865.7 Ų65.758%0.57833%0.333SS*.  trans-93.34.4169.9-66.2-50.3000112.8T72 K74 I101T72-N99 WeakPolarHBondContact CG2-O 3.46Å; K74-N99 VanDerWaalsContact CD-OD1 3.27Å; K74-N99 WeakPolarHBondContact CD-OD1 3.46Å; N99-I101 PolarHBondContact O-N 2.87Å
100V97.7Very high95Very high81 Ų8165.8 Ų65.849%0.49133%0.334SS..  trans-62.9125.2178.9176.20000109.2S98S98-V100 WeakPolarHBondContact OG-CB 3.01Å; S98-V100 WeakPolarHBondContact OG-CG2 3.31Å; S98-V100 PolarHBondContact OG-N 2.93Å; S98-V100 VanDerWaalsContact OG-N 3.16Å
101I98.1Very high95Very high114 Ų11461 Ų6159%0.58533%0.326SS*.  trans-74.3129.7-179.6-62.6174.4000110P71 T72 N99 N103P71-I101 HydrophobicContact CB-CG2 4.46Å; P71-I101 CarbonylContact O-C 3.47Å; P71-I101 VanDerWaalsContact O-CA 3.27Å; P71-I101 WeakPolarHBondContact O-CA 3.34Å; T72-I101 HydrophobicContact CG2-CG1 4.34Å; N99-I101 PolarHBondContact O-N 2.87Å; I101-N103 WeakPolarHBondContact CG2-OD1 3.5Å
102K97.3Very high95Very high74 Ų7463.8 Ų63.832%0.32234%0.337SS..  trans-125111.7171-59.1-65.4-176.3-178.40109.9P71 I94 Y104 H105 Y118P71-K102 PolarHBondContact O-N 3.09Å; I94-K102 HydrophobicContact CD1-CD 4.23Å; I94-K102 HydrophobicContact CD1-CG 3.88Å; K102-Y104 PolarHBondContact O-N 3.31Å; K102-Y104 VanDerWaalsContact O-N 3.17Å; K102-H105 HydrophobicContact CB-CB 3.86Å; K102-H105 WeakPolarHBondContact CB-ND1 3.28Å; K102-Y118 WeakPolarHBondContact CB-OH 3.5Å; K102-Y118 HydrophobicContact CG-CE1 4.23Å
103N96.7Very high95.4Very high101 Ų10169.8 Ų69.854%0.5436%0.361SS..THydrogen-bonded Turntrans-72.6-9.1-175.1-61.2-26.2000114.4V69 I101V69-N103 WeakPolarHBondContact CG1-O 3.26Å; I101-N103 WeakPolarHBondContact CG2-OD1 3.5Å
104Y97Very high95.7Very high93 Ų9366.1 Ų66.137%0.36535%0.346SS..THydrogen-bonded Turntrans-134.124.2-171.5-49.7-57.5000112.2K102 S120 V121 F128 D129K102-Y104 PolarHBondContact O-N 3.31Å; K102-Y104 VanDerWaalsContact O-N 3.17Å; Y104-S120 CarbonylContact O-C 3.48Å; Y104-S120 VanDerWaalsContact O-CA 3.32Å; Y104-S120 WeakPolarHBondContact O-CA 3.32Å; Y104-V121 PolarHBondContact O-N 3.24Å; Y104-F128 AromaticContact CD1-CE2 3.75Å; Y104-F128 HydrophobicContact CD1-CE2 3.75Å; Y104-F128 HydrophobicContact CD1-CZ 4.25Å; Y104-F128 HydrophobicContact CE1-CD2 4.49Å; Y104-F128 AromaticContact CE1-CE2 3.86Å; Y104-F128 HydrophobicContact CE1-CE2 3.86Å; Y104-D129 WeakPolarHBondContact CE1-OXT 3.32Å; Y104-D129 PolarHBondContact OH-OXT 3.03Å; Y104-D129 VanDerWaalsContact OH-OXT 3.06Å
105H97.4Very high95.9Very high23 Ų2367.9 Ų67.911%0.10635%0.353CS..EExtended strand (participates in β ladder)trans-105.4139.8178.8-75.237.5000111.3V69 V70 K102 Y118 N119 S120V69-H105 WeakPolarHBondContact CA-O 3.15Å; V69-H105 WeakPolarHBondContact CG1-O 3.2Å; V70-H105 PolarHBondContact N-O 3.43Å; K102-H105 HydrophobicContact CB-CB 3.86Å; K102-H105 WeakPolarHBondContact CB-ND1 3.28Å; H105-Y118 HydrophobicContact CB-CD2 4.12Å; H105-Y118 HydrophobicContact CB-CE1 4Å; H105-Y118 HydrophobicContact CB-CE2 3.48Å; H105-Y118 VanDerWaalsContact CB-CE2 3.48Å; H105-Y118 VanDerWaalsContact CB-CZ 3.42Å; H105-Y118 AromaticContact CD2-CD1 3.85Å; H105-Y118 AromaticContact CD2-CE1 3.58Å; H105-Y118 AromaticContact CD2-CZ 3.96Å; H105-Y118 AromaticContact CG-CZ 4Å; H105-N119 CarbonylContact C-O 3.58Å; H105-N119 VanDerWaalsContact CA-O 3.31Å; H105-N119 WeakPolarHBondContact CA-O 3.35Å; H105-S120 PolarHBondContact CE1-OG 3.12Å
106R95.3Very high95.9Very high41 Ų4163.6 Ų63.616%0.15533%0.325CS..EExtended strand (participates in β ladder)trans-102.7157171.559.2175.8178.3-126.10.4110.3M43 F48 N65 Y118 N119 V121M43-R106 VanDerWaalsContact CE-NE 3.33Å; M43-R106 PolarHBondContact SD-NH1 3Å; F48-R106 HydrophobicContact CD1-CB 3.9Å; F48-R106 HydrophobicContact CE1-CB 3.57Å; F48-R106 VanDerWaalsContact CE1-CD 3.44Å; F48-R106 HydrophobicContact CE1-CG 4.14Å; F48-R106 HydrophobicContact CZ-CB 4.37Å; F48-R106 HydrophobicContact CZ-CG 4.49Å; N65-R106 WeakPolarHBondContact OD1-CD 3.43Å; R106-Y118 WeakPolarHBondContact O-CA 3.42Å; R106-Y118 WeakPolarHBondContact O-CD2 3.39Å; R106-N119 WeakPolarHBondContact CG-O 3.29Å; R106-N119 PolarHBondContact N-O 3.18Å; R106-N119 PolarHBondContact O-N 3.04Å; R106-V121 HydrophobicContact CB-CG2 3.49Å; R106-V121 VanDerWaalsContact CB-CG2 3.49Å; R106-V121 HydrophobicContact CG-CG2 3.68Å
107C97.3Very high95.9Very high0 Ų063.2 Ų63.20%032%0.318CS..EExtended strand (participates in β ladder)trans-104.3146.1168-165.40000109.6F66 V70 C76 F117F66-C107 HydrophobicContact CB-CB 4.26Å; F66-C107 HydrophobicContact CD2-CB 3.56Å; F66-C107 HydrophobicContact CE2-CB 4.26Å; F66-C107 HydrophobicContact CG-CB 4.18Å; F66-C107 PolarHBondContact N-O 2.72Å; V70-C107 HydrophobicContact CB-CB 4.05Å; V70-C107 HydrophobicContact CG2-CB 3.56Å; C76-C107 VanDerWaalsContact C-SG 3.57Å; C76-C107 WeakPolarHBondContact CA-SG 3.33Å; C76-C107 HydrophobicContact CB-CB 3.7Å; C76-C107 WeakPolarHBondContact CB-SG 3.4Å; C76-C107 PolarHBondContact O-SG 3.05Å; C76-C107 VanDerWaalsContact SG-CA 3.51Å; C76-C107 WeakPolarHBondContact SG-CB 3.07Å; C76-C107 CovalentContact SG-SG 2.04Å; C76-C107 PolarHBondContact SG-SG 3.05Å; C107-F117 CarbonylContact C-O 3.27Å; C107-F117 WeakPolarHBondContact CA-O 3.02Å
108R96.4Very high95.9Very high35 Ų3560.8 Ų60.813%0.13229%0.293CS..EExtended strand (participates in β ladder)trans-143.8132171.5177.3-172.6178.1-133-7.1110.2L42 T63 G64 C116 F117L42-R108 VanDerWaalsContact CD2-NH2 3.27Å; T63-R108 PolarHBondContact O-NE 3.12Å; G64-R108 CarbonylContact O-C 3.53Å; G64-R108 WeakPolarHBondContact O-CA 3.2Å; G64-R108 VanDerWaalsContact O-CG 3.31Å; G64-R108 WeakPolarHBondContact O-CG 3.19Å; R108-C116 WeakPolarHBondContact O-CA 3.46Å; R108-F117 HydrophobicContact CB-CB 4.19Å; R108-F117 PolarHBondContact N-O 3.11Å; R108-F117 PolarHBondContact O-N 2.98Å
109C96.8Very high95.8Very high2 Ų262 Ų621%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-98.7125.3168.6168.30000108.8F59 G64 C80 L83 C85 P111F59-C109 HydrophobicContact CE2-CB 4.31Å; G64-C109 WeakPolarHBondContact CA-O 3.27Å; G64-C109 PolarHBondContact O-N 2.92Å; C80-C109 HydrophobicContact CB-CB 4.49Å; L83-C109 HydrophobicContact CB-CB 4.45Å; L83-C109 HydrophobicContact CD1-CB 4.01Å; C85-C109 HydrophobicContact CB-CB 3.88Å; C85-C109 WeakPolarHBondContact CB-SG 3.48Å; C85-C109 VanDerWaalsContact SG-C 3.6Å; C85-C109 WeakPolarHBondContact SG-CA 3.38Å; C85-C109 WeakPolarHBondContact SG-CB 3.43Å; C85-C109 CovalentContact SG-SG 2.04Å; C85-C109 PolarHBondContact SG-SG 2.97Å; C109-P111 WeakPolarHBondContact O-CD 3.37Å
110F94.2Very high95.6Very high52 Ų5260.2 Ų60.223%0.22829%0.294CS..EExtended strand (participates in β ladder)trans-107.895.7172.5-170.9-162.4000109C85 E112 Y113 H114 F115 F117C85-F110 PolarHBondContact SG-N 3.36Å; C85-F110 VanDerWaalsContact SG-N 3.36Å; F110-E112 VanDerWaalsContact C-N 3.28Å; F110-E112 HydrophobicContact CD2-CB 4.21Å; F110-E112 HydrophobicContact CE2-CB 3.73Å; F110-E112 HydrophobicContact CZ-CB 4.07Å; F110-E112 WeakPolarHBondContact CZ-OE2 3.34Å; F110-E112 PolarHBondContact O-N 3.14Å; F110-Y113 AromaticContact CD1-CD2 3.59Å; F110-Y113 HydrophobicContact CD1-CD2 3.59Å; F110-Y113 HydrophobicContact CD1-CE2 4.28Å; F110-Y113 AromaticContact CE1-CD2 3.16Å; F110-Y113 HydrophobicContact CE1-CD2 3.16Å; F110-Y113 AromaticContact CE1-CE2 3.4Å; F110-Y113 HydrophobicContact CE1-CE2 3.4Å; F110-Y113 HydrophobicContact CE1-CG 4.41Å; F110-Y113 HydrophobicContact CE2-CD2 4.47Å; F110-Y113 HydrophobicContact CG-CD2 4.42Å; F110-Y113 AromaticContact CZ-CD2 3.65Å; F110-Y113 HydrophobicContact CZ-CD2 3.65Å; F110-Y113 AromaticContact CZ-CE2 3.62Å; F110-Y113 HydrophobicContact CZ-CE2 3.62Å; F110-Y113 PolarHBondContact O-N 2.9Å; F110-H114 PolarHBondContact O-N 2.79Å; F110-F115 PolarHBondContact N-O 2.74Å; F110-F115 PolarHBondContact O-N 3Å; F110-F117 HydrophobicContact CB-CD2 4.3Å; F110-F117 HydrophobicContact CB-CE2 3.54Å; F110-F117 HydrophobicContact CB-CZ 4.41Å; F110-F117 HydrophobicContact CD1-CE2 4.22Å; F110-F117 HydrophobicContact CD1-CZ 4.3Å; F110-F117 HydrophobicContact CG-CE2 4.39Å
111P86.8Confident95.4Very high79 Ų7956.6 Ų56.651%0.51327%0.272SS..G310 helixtrans-63.5-31.8-168.422.4-34.1000113.5C109 Y113 H114C109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-Y113 PolarHBondContact O-N 3.13Å; P111-H114 PolarHBondContact O-N 3.34Å; P111-H114 VanDerWaalsContact O-N 3.15Å
112E89.3Confident95.2Very high134 Ų13453.9 Ų53.963%0.62626%0.262SS*.G310 helixtrans-58.6-33.3-178.6-170.1179.4175.800113.3F110F110-E112 VanDerWaalsContact C-N 3.28Å; F110-E112 HydrophobicContact CD2-CB 4.21Å; F110-E112 HydrophobicContact CE2-CB 3.73Å; F110-E112 HydrophobicContact CZ-CB 4.07Å; F110-E112 WeakPolarHBondContact CZ-OE2 3.34Å; F110-E112 PolarHBondContact O-N 3.14Å
113Y92.7Very high95Very high129 Ų12958.6 Ų58.651%0.50628%0.278SS..G310 helixtrans-115.89.7177.1-60.3-82.9000112.8F110 P111 F115F110-Y113 AromaticContact CD1-CD2 3.59Å; F110-Y113 HydrophobicContact CD1-CD2 3.59Å; F110-Y113 HydrophobicContact CD1-CE2 4.28Å; F110-Y113 AromaticContact CE1-CD2 3.16Å; F110-Y113 HydrophobicContact CE1-CD2 3.16Å; F110-Y113 AromaticContact CE1-CE2 3.4Å; F110-Y113 HydrophobicContact CE1-CE2 3.4Å; F110-Y113 HydrophobicContact CE1-CG 4.41Å; F110-Y113 HydrophobicContact CE2-CD2 4.47Å; F110-Y113 HydrophobicContact CG-CD2 4.42Å; F110-Y113 AromaticContact CZ-CD2 3.65Å; F110-Y113 HydrophobicContact CZ-CD2 3.65Å; F110-Y113 AromaticContact CZ-CE2 3.62Å; F110-Y113 HydrophobicContact CZ-CE2 3.62Å; F110-Y113 PolarHBondContact O-N 2.9Å; P111-Y113 PolarHBondContact O-N 3.13Å; Y113-F115 HydrophobicContact CG-CD2 4.25Å; Y113-F115 HydrophobicContact CG-CE2 4.31Å; Y113-F115 PolarHBondContact O-N 3.25Å
114H95.5Very high94.8Very high100 Ų10063 Ų6346%0.46329%0.287SS..THydrogen-bonded Turntrans53.322.2-175-55.8-76.8000114.5G84 C85 T86 E87 F110 P111G84-H114 PolarHBondContact O-ND1 3.17Å; C85-H114 CarbonylContact C-O 3.29Å; C85-H114 VanDerWaalsContact C-O 3.29Å; C85-H114 WeakPolarHBondContact CA-O 3.47Å; C85-H114 WeakPolarHBondContact CB-O 3.48Å; T86-H114 PolarHBondContact N-O 2.77Å; E87-H114 PolarHBondContact N-O 3.17Å; F110-H114 PolarHBondContact O-N 2.79Å; P111-H114 PolarHBondContact O-N 3.34Å; P111-H114 VanDerWaalsContact O-N 3.15Å
115F97.2Very high94.8Very high60 Ų6060 Ų6026%0.26328%0.275SS..EExtended strand (participates in β ladder)trans-87138.2-175.1-76.2-41.7000112.6C85 E87 Y89 F110 Y113 F117C85-F115 PolarHBondContact SG-O 2.97Å; C85-F115 VanDerWaalsContact SG-O 3.4Å; E87-F115 HydrophobicContact CB-CD1 3.4Å; E87-F115 VanDerWaalsContact CB-CD1 3.4Å; E87-F115 HydrophobicContact CB-CE1 3.65Å; E87-F115 HydrophobicContact CG-CD1 4.48Å; E87-F115 HydrophobicContact CG-CE1 4.38Å; E87-F115 CarbonylContact O-C 3.49Å; E87-F115 WeakPolarHBondContact O-CA 2.98Å; Y89-F115 HydrophobicContact CD2-CD1 4.43Å; Y89-F115 HydrophobicContact CD2-CD2 4.04Å; Y89-F115 HydrophobicContact CD2-CE2 4.32Å; Y89-F115 HydrophobicContact CD2-CG 4.14Å; F110-F115 PolarHBondContact N-O 2.74Å; F110-F115 PolarHBondContact O-N 3Å; Y113-F115 HydrophobicContact CG-CD2 4.25Å; Y113-F115 HydrophobicContact CG-CE2 4.31Å; Y113-F115 PolarHBondContact O-N 3.25Å; F115-F117 HydrophobicContact CB-CD2 4.29Å; F115-F117 HydrophobicContact CB-CE2 3.51Å; F115-F117 HydrophobicContact CB-CZ 3.93Å; F115-F117 HydrophobicContact CD2-CZ 4.48Å
116C97.6Very high94.6Very high0 Ų061 Ų610%028%0.278CS..EExtended strand (participates in β ladder)trans-104.5127.1168.4-167.10000110.4C76 F77 C80 E87 W88 Y89 R108C76-C116 PolarHBondContact SG-SG 3.28Å; F77-C116 HydrophobicContact CD2-CB 4.08Å; C80-C116 HydrophobicContact CB-CB 3.5Å; C80-C116 VanDerWaalsContact CB-CB 3.5Å; C80-C116 WeakPolarHBondContact CB-SG 3.42Å; C80-C116 WeakPolarHBondContact SG-CB 3.13Å; C80-C116 CovalentContact SG-SG 2.04Å; C80-C116 PolarHBondContact SG-SG 2.82Å; E87-C116 PolarHBondContact O-N 3.14Å; W88-C116 HydrophobicContact CE3-CB 3.9Å; W88-C116 HydrophobicContact CZ3-CB 4.13Å; Y89-C116 VanDerWaalsContact CB-O 3.28Å; Y89-C116 WeakPolarHBondContact CB-O 3.3Å; Y89-C116 PolarHBondContact N-O 3.42Å; R108-C116 WeakPolarHBondContact O-CA 3.46Å
117F96.8Very high94.7Very high28 Ų2863.9 Ų63.912%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-110.9137.3-179-60.9-103.6000110.1Y89 C107 R108 F110 F115Y89-F117 AromaticContact CD1-CD1 3.34Å; Y89-F117 HydrophobicContact CD1-CD1 3.34Å; Y89-F117 AromaticContact CD1-CE1 3.26Å; Y89-F117 HydrophobicContact CD1-CE1 3.26Å; Y89-F117 HydrophobicContact CD1-CG 4.41Å; Y89-F117 HydrophobicContact CD1-CZ 4.26Å; Y89-F117 HydrophobicContact CD2-CD1 4.49Å; Y89-F117 AromaticContact CD2-CE1 3.78Å; Y89-F117 HydrophobicContact CD2-CE1 3.78Å; Y89-F117 HydrophobicContact CD2-CZ 4.02Å; Y89-F117 AromaticContact CE1-CD1 3.93Å; Y89-F117 HydrophobicContact CE1-CD1 3.93Å; Y89-F117 AromaticContact CE1-CE1 3.52Å; Y89-F117 HydrophobicContact CE1-CE1 3.52Å; Y89-F117 HydrophobicContact CE2-CE1 4.05Å; Y89-F117 HydrophobicContact CE2-CZ 4.4Å; Y89-F117 AromaticContact CG-CD1 3.66Å; Y89-F117 HydrophobicContact CG-CD1 3.66Å; Y89-F117 AromaticContact CG-CE1 3.38Å; Y89-F117 HydrophobicContact CG-CE1 3.38Å; Y89-F117 HydrophobicContact CG-CG 4.46Å; Y89-F117 AromaticContact CG-CZ 3.95Å; Y89-F117 HydrophobicContact CG-CZ 3.95Å; Y89-F117 AromaticContact CZ-CE1 3.94Å; C107-F117 CarbonylContact C-O 3.27Å; C107-F117 WeakPolarHBondContact CA-O 3.02Å; R108-F117 HydrophobicContact CB-CB 4.19Å; R108-F117 PolarHBondContact N-O 3.11Å; R108-F117 PolarHBondContact O-N 2.98Å; F110-F117 HydrophobicContact CB-CD2 4.3Å; F110-F117 HydrophobicContact CB-CE2 3.54Å; F110-F117 HydrophobicContact CB-CZ 4.41Å; F110-F117 HydrophobicContact CD1-CE2 4.22Å; F110-F117 HydrophobicContact CD1-CZ 4.3Å; F110-F117 HydrophobicContact CG-CE2 4.39Å; F115-F117 HydrophobicContact CB-CD2 4.29Å; F115-F117 HydrophobicContact CB-CE2 3.51Å; F115-F117 HydrophobicContact CB-CZ 3.93Å; F115-F117 HydrophobicContact CD2-CZ 4.48Å
118Y97.7Very high94.5Very high0 Ų065 Ų650%030%0.302CS..EExtended strand (participates in β ladder)trans-133.5102.7174.4-171.5-117.3000110.6V70 P71 T72 A73 C76 W88 S92 I94 K102 H105 R106V70-Y118 HydrophobicContact CB-CE2 4.34Å; V70-Y118 WeakPolarHBondContact O-CE2 3.42Å; V70-Y118 PolarHBondContact O-OH 3.05Å; P71-Y118 VanDerWaalsContact C-OH 3.25Å; P71-Y118 PolarHBondContact O-OH 3.31Å; P71-Y118 VanDerWaalsContact O-OH 3.12Å; T72-Y118 WeakPolarHBondContact CA-OH 3.37Å; T72-Y118 PolarHBondContact N-OH 3.34Å; A73-Y118 HydrophobicContact CB-CD1 3.75Å; A73-Y118 HydrophobicContact CB-CE1 3.9Å; A73-Y118 HydrophobicContact CB-CG 4.36Å; C76-Y118 HydrophobicContact CB-CD2 3.72Å; C76-Y118 HydrophobicContact CB-CE2 4.16Å; C76-Y118 HydrophobicContact CB-CG 4.39Å; W88-Y118 HydrophobicContact CH2-CD1 4.49Å; W88-Y118 HydrophobicContact CH2-CG 4.06Å; W88-Y118 HydrophobicContact CZ2-CG 4.43Å; S92-Y118 WeakPolarHBondContact CB-O 3.38Å; S92-Y118 PolarHBondContact OG-N 3Å; S92-Y118 VanDerWaalsContact OG-N 3.1Å; I94-Y118 HydrophobicContact CB-CD1 4.25Å; I94-Y118 HydrophobicContact CD1-CD1 3.91Å; I94-Y118 HydrophobicContact CD1-CE1 3.72Å; K102-Y118 WeakPolarHBondContact CB-OH 3.5Å; K102-Y118 HydrophobicContact CG-CE1 4.23Å; H105-Y118 HydrophobicContact CB-CD2 4.12Å; H105-Y118 HydrophobicContact CB-CE1 4Å; H105-Y118 HydrophobicContact CB-CE2 3.48Å; H105-Y118 VanDerWaalsContact CB-CE2 3.48Å; H105-Y118 VanDerWaalsContact CB-CZ 3.42Å; H105-Y118 AromaticContact CD2-CD1 3.85Å; H105-Y118 AromaticContact CD2-CE1 3.58Å; H105-Y118 AromaticContact CD2-CZ 3.96Å; H105-Y118 AromaticContact CG-CZ 4Å; R106-Y118 WeakPolarHBondContact O-CA 3.42Å; R106-Y118 WeakPolarHBondContact O-CD2 3.39Å
119N95.2Very high94Very high49 Ų4969.6 Ų69.626%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-141.5158.7-172-58.999.9000111.3M91 H105 R106M91-N119 PolarHBondContact O-ND2 3.21Å; H105-N119 CarbonylContact C-O 3.58Å; H105-N119 VanDerWaalsContact CA-O 3.31Å; H105-N119 WeakPolarHBondContact CA-O 3.35Å; R106-N119 WeakPolarHBondContact CG-O 3.29Å; R106-N119 PolarHBondContact N-O 3.18Å; R106-N119 PolarHBondContact O-N 3.04Å
120S95Very high93.8Very high70 Ų7073 Ų7349%0.4935%0.345SS..EExtended strand (participates in β ladder)trans-58.6143.1174.8-60.50000112.7Y104 H105Y104-S120 CarbonylContact O-C 3.48Å; Y104-S120 VanDerWaalsContact O-CA 3.32Å; Y104-S120 WeakPolarHBondContact O-CA 3.32Å; H105-S120 PolarHBondContact CE1-OG 3.12Å
121V94Very high93.8Very high4 Ų474.1 Ų74.12%0.02435%0.351CS..  trans-93.7116168.7-171.40000108.5F48 Y104 R106 R126F48-V121 HydrophobicContact CB-CG1 3.96Å; F48-V121 HydrophobicContact CB-CG2 4.48Å; F48-V121 HydrophobicContact CD1-CG2 4.17Å; F48-V121 HydrophobicContact CD2-CG1 3.59Å; F48-V121 HydrophobicContact CE2-CG1 4.26Å; F48-V121 HydrophobicContact CG-CG1 3.79Å; F48-V121 HydrophobicContact CG-CG2 4.14Å; Y104-V121 PolarHBondContact O-N 3.24Å; R106-V121 HydrophobicContact CB-CG2 3.49Å; R106-V121 VanDerWaalsContact CB-CG2 3.49Å; R106-V121 HydrophobicContact CG-CG2 3.68Å; V121-R126 HydrophobicContact CB-CG 4.03Å; V121-R126 HydrophobicContact CG1-CG 3.56Å; V121-R126 PolarHBondContact O-NE 3.05Å
122P92.8Very high94.2Very high58 Ų5873.8 Ų73.838%0.37734%0.342SS..  trans-57.8146.3173.2-23.332.7000111.8R124 Y125P122-R124 HydrophobicContact CB-CG 4.36Å; P122-R124 PolarHBondContact O-N 2.01Å; P122-R124 VanDerWaalsContact O-N 3.11Å; P122-Y125 HydrophobicContact CB-CD2 3.95Å; P122-Y125 HydrophobicContact CB-CE2 4.37Å; P122-Y125 HydrophobicContact CG-CD2 4Å; P122-Y125 HydrophobicContact CG-CE2 4.23Å; P122-Y125 PolarHBondContact O-N 3.09Å
123R93.4Very high94.5Very high172 Ų17270.3 Ų70.365%0.64933%0.325SS*.G310 helixtrans-51.7-38.9-177.1-169.9177.8-172.6-174.92.9113.4Y125 R126 D129R123-Y125 PolarHBondContact O-N 3.32Å; R123-R126 PolarHBondContact O-N 3.25Å; R123-D129 IonicContact CZ-OD1 3.72Å; R123-D129 IonicContact NE-OD1 3.78Å; R123-D129 IonicContact NH2-OD1 2.86Å; R123-D129 PolarHBondContact NH2-OD1 2.74Å
124R93.5Very high94.6Very high193 Ų19366.6 Ų66.673%0.72831%0.314SS*.G310 helixtrans-60.7-16.4-179.873.4-175.8-174.4-154.31.7115.2P122P122-R124 HydrophobicContact CB-CG 4.36Å; P122-R124 PolarHBondContact O-N 2.01Å; P122-R124 VanDerWaalsContact O-N 3.11Å
125Y95Very high94.5Very high31 Ų3164.4 Ų64.412%0.12230%0.304CS..G310 helixtrans-107.28.8177.3-57.9-71.4000112.4M43 L46 F48 P122 R123M43-Y125 HydrophobicContact CB-CD1 4.07Å; M43-Y125 HydrophobicContact CB-CD2 4.35Å; M43-Y125 HydrophobicContact CB-CE1 3.61Å; M43-Y125 HydrophobicContact CB-CE2 3.88Å; M43-Y125 HydrophobicContact CB-CG 4.43Å; M43-Y125 VanDerWaalsContact CB-CZ 3.49Å; M43-Y125 HydrophobicContact CG-CE2 4.45Å; M43-Y125 WeakPolarHBondContact O-CD1 3.41Å; M43-Y125 WeakPolarHBondContact O-CE1 3.28Å; L46-Y125 WeakPolarHBondContact O-CD1 3.27Å; F48-Y125 WeakPolarHBondContact CD2-O 3.21Å; F48-Y125 PolarHBondContact N-O 3.26Å; P122-Y125 HydrophobicContact CB-CD2 3.95Å; P122-Y125 HydrophobicContact CB-CE2 4.37Å; P122-Y125 HydrophobicContact CG-CD2 4Å; P122-Y125 HydrophobicContact CG-CE2 4.23Å; P122-Y125 PolarHBondContact O-N 3.09Å; R123-Y125 PolarHBondContact O-N 3.32Å
126R95.2Very high94.3Very high44 Ų4464.7 Ų64.717%0.16631%0.307CS..BIsolated β-bridgetrans-108138.1-179.7-63.3-172.2-80.1129.1-9.2109.7F48 V121 R123 F128 D129F48-R126 WeakPolarHBondContact O-CA 3.46Å; V121-R126 HydrophobicContact CB-CG 4.03Å; V121-R126 HydrophobicContact CG1-CG 3.56Å; V121-R126 PolarHBondContact O-NE 3.05Å; R123-R126 PolarHBondContact O-N 3.25Å; R126-F128 VanDerWaalsContact C-N 3.28Å; R126-F128 HydrophobicContact CB-CD1 3.99Å; R126-F128 HydrophobicContact CB-CE1 3.8Å; R126-F128 HydrophobicContact CB-CZ 4.3Å; R126-F128 WeakPolarHBondContact CB-O 3.5Å; R126-F128 HydrophobicContact CG-CE1 3.86Å; R126-F128 HydrophobicContact CG-CZ 4.04Å; R126-F128 PolarHBondContact NH1-O 3.06Å; R126-D129 PolarHBondContact NH1-OXT 2.86Å
127N95.3Very high94.1Very high102 Ų10269.7 Ų69.755%0.54533%0.33SS..SBendtrans-93.418169.174.5-12.1000113.3T47 F48 T49T47-N127 HydrophobicContact CG2-CB 3.68Å; F48-N127 PolarHBondContact O-N 2.94Å; F48-N127 PolarHBondContact O-OD1 3.35Å; T49-N127 VanDerWaalsContact CA-OD1 3.29Å; T49-N127 WeakPolarHBondContact CA-OD1 3.42Å; T49-N127 VanDerWaalsContact CG2-ND2 3.32Å; T49-N127 WeakPolarHBondContact CG2-ND2 3.15Å; T49-N127 WeakPolarHBondContact CG2-OD1 3.09Å
128F94.6Very high93.9Very high24 Ų2473.2 Ų73.211%0.10535%0.347CS..  trans-147.3159.4-176.768.9-81.4000109.8T49 K50 V69 Y104 R126T49-F128 WeakPolarHBondContact O-CE1 3.1Å; K50-F128 HydrophobicContact CD-CB 4.48Å; K50-F128 HydrophobicContact CG-CB 3.88Å; K50-F128 HydrophobicContact CG-CD1 4.19Å; K50-F128 HydrophobicContact CG-CD2 3.84Å; K50-F128 HydrophobicContact CG-CE2 4.48Å; K50-F128 HydrophobicContact CG-CG 3.68Å; V69-F128 HydrophobicContact CG2-CE1 4.08Å; V69-F128 HydrophobicContact CG2-CE2 4.47Å; V69-F128 HydrophobicContact CG2-CZ 3.5Å; V69-F128 VanDerWaalsContact CG2-CZ 3.5Å; Y104-F128 AromaticContact CD1-CE2 3.75Å; Y104-F128 HydrophobicContact CD1-CE2 3.75Å; Y104-F128 HydrophobicContact CD1-CZ 4.25Å; Y104-F128 HydrophobicContact CE1-CD2 4.49Å; Y104-F128 AromaticContact CE1-CE2 3.86Å; Y104-F128 HydrophobicContact CE1-CE2 3.86Å; R126-F128 VanDerWaalsContact C-N 3.28Å; R126-F128 HydrophobicContact CB-CD1 3.99Å; R126-F128 HydrophobicContact CB-CE1 3.8Å; R126-F128 HydrophobicContact CB-CZ 4.3Å; R126-F128 WeakPolarHBondContact CB-O 3.5Å; R126-F128 HydrophobicContact CG-CE1 3.86Å; R126-F128 HydrophobicContact CG-CZ 4.04Å; R126-F128 PolarHBondContact NH1-O 3.06Å
129D84.9Confident93.5Very high131 Ų13179.8 Ų79.870%0.70138%0.379SS*.  trans-870-178.6-72.1-49.5000114.2Y104 R123 R126Y104-D129 WeakPolarHBondContact CE1-OXT 3.32Å; Y104-D129 PolarHBondContact OH-OXT 3.03Å; Y104-D129 VanDerWaalsContact OH-OXT 3.06Å; R123-D129 IonicContact CZ-OD1 3.72Å; R123-D129 IonicContact NE-OD1 3.78Å; R123-D129 IonicContact NH2-OD1 2.86Å; R123-D129 PolarHBondContact NH2-OD1 2.74Å; R126-D129 PolarHBondContact NH1-OXT 2.86Å

Retrieved 129 of 129 residues in 27.5 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).