A0A077YZA1_TRITR Loading...

Calcyclin binding protein

AlphaFold DB , UniProt , Accession A0A077YZA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.4Low82.2Confident124 Ų12495.3 Ų95.361%0.61146%0.457SS*.  0113.40-161.5173.1-151.500105.3I3 A6 L36 I39M1-I3 PolarHBondContact O-N 3.17Å; M1-A6 HydrophobicContact CG-CB 4.37Å; M1-A6 HydrophobicContact SD-CB 4.24Å; M1-L36 HydrophobicContact CE-CD2 3.7Å; M1-L36 HydrophobicContact SD-CD2 4.19Å; M1-I39 HydrophobicContact SD-CD1 4.35Å
2D76.5Confident83Confident113 Ų11394.9 Ų94.960%0.60445%0.454SS*.  trans-65.3127.2175.7-76.3-44.9000108.4E4 E5 A6D2-E4 PolarHBondContact O-N 3.31Å; D2-E5 HydrophobicContact CB-CB 4.3Å; D2-E5 HydrophobicContact CB-CG 4.04Å; D2-E5 WeakPolarHBondContact O-CB 3.39Å; D2-E5 PolarHBondContact O-N 3.21Å; D2-A6 PolarHBondContact O-N 3.01Å
3I80.3Confident83.6Confident82 Ų8289.6 Ų89.642%0.42143%0.43SS..Hα-helixtrans-60.3-31.1-175.7-62.7161.4000110.3M1 A6 K7 A43M1-I3 PolarHBondContact O-N 3.17Å; I3-A6 PolarHBondContact O-N 2.99Å; I3-K7 WeakPolarHBondContact O-CG 3.45Å; I3-K7 PolarHBondContact O-N 3.42Å; I3-A43 HydrophobicContact CD1-CB 3.62Å; I3-A43 HydrophobicContact CG1-CB 3.82Å
4E81.4Confident84.1Confident144 Ų14491.5 Ų91.567%0.67344%0.435SS*.Hα-helixtrans-66.7-41.7174.4-65.7-161.1163.500113D2 K7 K8D2-E4 PolarHBondContact O-N 3.31Å; E4-K7 PolarHBondContact O-N 3.08Å; E4-K8 WeakPolarHBondContact O-CG 3.47Å; E4-K8 PolarHBondContact O-N 3.09Å; E4-K8 VanDerWaalsContact O-N 3.08Å
5E84.8Confident84.6Confident110 Ų11096.1 Ų96.151%0.51445%0.447SS..Hα-helixtrans-63.4-43.6173.5-69.7-173154.600110.7D2 K7 K8 D9D2-E5 HydrophobicContact CB-CB 4.3Å; D2-E5 HydrophobicContact CB-CG 4.04Å; D2-E5 WeakPolarHBondContact O-CB 3.39Å; D2-E5 PolarHBondContact O-N 3.21Å; E5-K7 PolarHBondContact O-N 3.49Å; E5-K8 PolarHBondContact O-N 2.93Å; E5-K8 VanDerWaalsContact O-N 3.09Å; E5-D9 PolarHBondContact O-N 3.26Å
6A83.6Confident84.9Confident1 Ų194.4 Ų94.41%0.00844%0.441CS..Hα-helixtrans-60.4-33.4177.500000112.8M1 D2 I3 L10 L36 V40M1-A6 HydrophobicContact CG-CB 4.37Å; M1-A6 HydrophobicContact SD-CB 4.24Å; D2-A6 PolarHBondContact O-N 3.01Å; I3-A6 PolarHBondContact O-N 2.99Å; A6-L10 VanDerWaalsContact O-CB 3.3Å; A6-L10 WeakPolarHBondContact O-CB 3.46Å; A6-L10 PolarHBondContact O-N 3.34Å; A6-L10 VanDerWaalsContact O-N 3.08Å; A6-L36 HydrophobicContact CB-CD2 4.2Å; A6-V40 HydrophobicContact CB-CG2 4.06Å
7K86.5Confident85.1Confident110 Ų11095.2 Ų95.248%0.47844%0.439SS..Hα-helixtrans-69.7-44173.3-74.7176.3-180179.10112I3 E4 E5 L10 E11 V40I3-K7 WeakPolarHBondContact O-CG 3.45Å; I3-K7 PolarHBondContact O-N 3.42Å; E4-K7 PolarHBondContact O-N 3.08Å; E5-K7 PolarHBondContact O-N 3.49Å; K7-L10 WeakPolarHBondContact O-CB 3.46Å; K7-L10 PolarHBondContact O-N 3.31Å; K7-E11 PolarHBondContact O-N 2.73Å; K7-V40 HydrophobicContact CG-CG1 4.18Å; K7-V40 HydrophobicContact CG-CG2 4.23Å
8K89.9Confident85.4Confident135 Ų13598.7 Ų98.759%0.58746%0.456SS*.Hα-helixtrans-61-44.4175.5-69.9174.2-176.2171.60111.4E4 E5 L10 E11 E12E4-K8 WeakPolarHBondContact O-CG 3.47Å; E4-K8 PolarHBondContact O-N 3.09Å; E4-K8 VanDerWaalsContact O-N 3.08Å; E5-K8 PolarHBondContact O-N 2.93Å; E5-K8 VanDerWaalsContact O-N 3.09Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.37Å; K8-E11 PolarHBondContact O-N 3.39Å; K8-E12 PolarHBondContact O-N 3.17Å
9D87.2Confident85.6Confident70 Ų70100.3 Ų100.337%0.37447%0.467SS..Hα-helixtrans-59.6-41.5175-74.9-4.9000111.5E5 E12 L13 L36E5-D9 PolarHBondContact O-N 3.26Å; D9-E12 PolarHBondContact O-N 2.96Å; D9-L13 WeakPolarHBondContact O-CB 3.47Å; D9-L13 WeakPolarHBondContact O-CD1 3.5Å; D9-L13 WeakPolarHBondContact O-CG 3.38Å; D9-L13 PolarHBondContact O-N 2.85Å; D9-L36 HydrophobicContact CB-CD1 3.94Å
10L89.3Confident85.6Confident22 Ų2297.2 Ų97.212%0.11546%0.457CS..Hα-helixtrans-65.2-41.4179.2-167.4161.2000111.3A6 K7 K8 K14 L36 V40A6-L10 VanDerWaalsContact O-CB 3.3Å; A6-L10 WeakPolarHBondContact O-CB 3.46Å; A6-L10 PolarHBondContact O-N 3.34Å; A6-L10 VanDerWaalsContact O-N 3.08Å; K7-L10 WeakPolarHBondContact O-CB 3.46Å; K7-L10 PolarHBondContact O-N 3.31Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.37Å; L10-K14 HydrophobicContact CD2-CD 3.71Å; L10-K14 HydrophobicContact CD2-CG 4.29Å; L10-K14 VanDerWaalsContact CD2-NZ 3.31Å; L10-K14 WeakPolarHBondContact O-CB 3.3Å; L10-K14 WeakPolarHBondContact O-CG 3.36Å; L10-K14 PolarHBondContact O-N 3.42Å; L10-L36 HydrophobicContact CD1-CB 4.41Å; L10-V40 HydrophobicContact CD1-CG2 4.44Å
11E89.8Confident85.6Confident137 Ų137101.7 Ų101.764%0.6448%0.478SS*.Hα-helixtrans-63.3-45.5173.8-71.8176.4-177.200111.8K7 K8 K14 R15K7-E11 PolarHBondContact O-N 2.73Å; K8-E11 PolarHBondContact O-N 3.39Å; E11-K14 PolarHBondContact O-N 3.42Å; E11-R15 PolarHBondContact O-N 3Å
12E91.7Very high87.1Confident91 Ų91105.3 Ų105.343%0.42549%0.485SS..Hα-helixtrans-65.5-42.8179.4-172.561.1-16400111.6K8 D9 K14 R15 L16K8-E12 PolarHBondContact O-N 3.17Å; D9-E12 PolarHBondContact O-N 2.96Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.46Å; E12-R15 WeakPolarHBondContact O-CB 3.34Å; E12-R15 PolarHBondContact O-N 3.26Å; E12-R15 VanDerWaalsContact O-N 3.17Å; E12-L16 HydrophobicContact CG-CD1 4.31Å; E12-L16 WeakPolarHBondContact O-CG 3.19Å; E12-L16 PolarHBondContact O-N 3.06Å
13L90.3Very high87.3Confident26 Ų26102.2 Ų102.214%0.13648%0.479CS..Hα-helixtrans-64.1-38.3176.1-71.8168.1000112.2D9 R15 L16 R17 L29 R32 I33 L36D9-L13 WeakPolarHBondContact O-CB 3.47Å; D9-L13 WeakPolarHBondContact O-CD1 3.5Å; D9-L13 WeakPolarHBondContact O-CG 3.38Å; D9-L13 PolarHBondContact O-N 2.85Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.4Å; L13-R17 PolarHBondContact O-N 3.23Å; L13-L29 HydrophobicContact CD2-CD2 3.57Å; L13-R32 HydrophobicContact CD1-CB 4.15Å; L13-R32 HydrophobicContact CD1-CG 3.53Å; L13-R32 HydrophobicContact CD2-CG 4.27Å; L13-I33 HydrophobicContact CB-CD1 4.24Å; L13-I33 HydrophobicContact CB-CG1 3.64Å; L13-I33 HydrophobicContact CD1-CG1 4.5Å; L13-L36 HydrophobicContact CD1-CD1 3.28Å
14K90.1Very high87.3Confident116 Ų116103 Ų10350%0.50449%0.492SS..Hα-helixtrans-62.8-40.7173.5-80.2177.6176.1170.80111.4L10 E11 E12 R17 Q18 I33L10-K14 HydrophobicContact CD2-CD 3.71Å; L10-K14 HydrophobicContact CD2-CG 4.29Å; L10-K14 VanDerWaalsContact CD2-NZ 3.31Å; L10-K14 WeakPolarHBondContact O-CB 3.3Å; L10-K14 WeakPolarHBondContact O-CG 3.36Å; L10-K14 PolarHBondContact O-N 3.42Å; E11-K14 PolarHBondContact O-N 3.42Å; E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.46Å; K14-R17 PolarHBondContact O-N 3.2Å; K14-Q18 PolarHBondContact O-N 3.45Å; K14-I33 HydrophobicContact CG-CD1 4.21Å; K14-I33 HydrophobicContact CG-CG2 4.49Å
15R91.8Very high87.4Confident161 Ų16198.8 Ų98.861%0.60848%0.476SS*.Hα-helixtrans-63.3-48.5174.9-176.2-175.6-179.9170.50.7111.4E11 E12 L13 R17 Q18E11-R15 PolarHBondContact O-N 3Å; E12-R15 WeakPolarHBondContact O-CB 3.34Å; E12-R15 PolarHBondContact O-N 3.26Å; E12-R15 VanDerWaalsContact O-N 3.17Å; L13-R15 VanDerWaalsContact C-N 3.33Å; R15-R17 VanDerWaalsContact C-N 3.32Å; R15-R17 PolarHBondContact O-N 3.03Å; R15-Q18 WeakPolarHBondContact O-CB 3.5Å; R15-Q18 PolarHBondContact O-N 3.18Å
16L90.3Very high87.4Confident68 Ų6894.7 Ų94.736%0.35646%0.458SS..Hα-helixtrans-61.2-40.6177.7-70.8173.4000111.8E12 L13 Q18 L19 C20 L29E12-L16 HydrophobicContact CG-CD1 4.31Å; E12-L16 WeakPolarHBondContact O-CG 3.19Å; E12-L16 PolarHBondContact O-N 3.06Å; L13-L16 PolarHBondContact O-N 3.39Å; L16-Q18 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 3.06Å; L16-C20 PolarHBondContact O-N 3.24Å; L16-C20 PolarHBondContact O-SG 3.08Å; L16-L29 HydrophobicContact CB-CD1 4.2Å; L16-L29 HydrophobicContact CB-CD2 4.44Å
17R88.2Confident87.4Confident109 Ų10999.1 Ų99.141%0.41148%0.482SS..Hα-helixtrans-58.7-33.5177.2-175.1-89.4178.7-168.5-1.5112.3L13 K14 R15 L19 L29 E30 I33L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.4Å; L13-R17 PolarHBondContact O-N 3.23Å; K14-R17 PolarHBondContact O-N 3.2Å; R15-R17 VanDerWaalsContact C-N 3.32Å; R15-R17 PolarHBondContact O-N 3.03Å; R17-L19 VanDerWaalsContact C-N 3.27Å; R17-L19 PolarHBondContact O-N 2.85Å; R17-L29 HydrophobicContact CB-CB 4.35Å; R17-L29 HydrophobicContact CB-CD1 4.32Å; R17-E30 HydrophobicContact CG-CG 4.22Å; R17-E30 IonicContact CZ-OE1 2.8Å; R17-E30 IonicContact NE-OE1 3.65Å; R17-E30 PolarHBondContact NE-OE1 2.9Å; R17-E30 IonicContact NH2-OE1 3.98Å; R17-E30 PolarHBondContact NH2-OE1 3.45Å; R17-I33 HydrophobicContact CB-CD1 3.99Å; R17-I33 HydrophobicContact CG-CD1 4.28Å
18Q89.7Confident87.3Confident158 Ų15899.5 Ų99.574%0.73849%0.488SS*.Hα-helixtrans-69.5-24.3176.1-68.3178.4-5.600113.3K14 R15 L16K14-Q18 PolarHBondContact O-N 3.45Å; R15-Q18 WeakPolarHBondContact O-CB 3.5Å; R15-Q18 PolarHBondContact O-N 3.18Å; L16-Q18 PolarHBondContact O-N 2.83Å
19L89.7Confident87.1Confident129 Ų12994 Ų9468%0.67547%0.465SS*.Hα-helixtrans-89.2-22.6-179.2-62.2173000112.7L16 R17L16-L19 PolarHBondContact O-N 3.06Å; R17-L19 VanDerWaalsContact C-N 3.27Å; R17-L19 PolarHBondContact O-N 2.85Å
20C86.4Confident87.1Confident38 Ų3894.3 Ų94.326%0.25746%0.464SS..  trans-81.8127.1-175.7-64.20000112.6L16 V25 V26 L29L16-C20 PolarHBondContact O-N 3.24Å; L16-C20 PolarHBondContact O-SG 3.08Å; C20-V25 HydrophobicContact CB-CB 4.5Å; C20-V25 HydrophobicContact CB-CG1 4.12Å; C20-V25 VanDerWaalsContact SG-CG1 3.59Å; C20-V26 HydrophobicContact CB-CG2 3.97Å; C20-V26 WeakPolarHBondContact O-CG2 3.34Å; C20-L29 HydrophobicContact CB-CD1 4.18Å; C20-L29 WeakPolarHBondContact SG-CD1 3.28Å
21Q84.8Confident86.9Confident192 Ų19298.9 Ų98.990%0.89749%0.485SS*.  trans-103.5-19.5174.9-63.7-179.6-0.300113.4
22R86.6Confident86.7Confident200 Ų20095.3 Ų95.376%0.75547%0.466SS*.SBendtrans-79.7123.4-177.9-70.7-169.9172.9-150.7-0.9110.6S24 V25 V26R22-S24 VanDerWaalsContact C-N 3.32Å; R22-S24 PolarHBondContact O-N 2.87Å; R22-V25 HydrophobicContact CB-CB 4.47Å; R22-V25 HydrophobicContact CB-CG2 4.15Å; R22-V25 PolarHBondContact O-N 2.96Å; R22-V26 WeakPolarHBondContact O-CG2 3.4Å; R22-V26 PolarHBondContact O-N 3.5Å
23G81.9Confident86.6Confident47 Ų4792.3 Ų92.349%0.48545%0.453SS..Hα-helixtrans-53.8-40.6-176.400000114.9V25 V26 N27G23-V25 PolarHBondContact O-N 3.37Å; G23-V26 PolarHBondContact O-N 3Å; G23-N27 WeakPolarHBondContact O-CB 3.37Å; G23-N27 PolarHBondContact O-N 3.38Å; G23-N27 PolarHBondContact O-OD1 3.14Å
24S79.7Confident86.4Confident98 Ų9897 Ų9769%0.68547%0.472SS*.Hα-helixtrans-62-41.6177171.20000112.8R22 L28R22-S24 VanDerWaalsContact C-N 3.32Å; R22-S24 PolarHBondContact O-N 2.87Å; S24-L28 WeakPolarHBondContact O-CB 3.22Å; S24-L28 PolarHBondContact O-N 2.8Å
25V83.5Confident85.9Confident57 Ų5792.3 Ų92.335%0.34545%0.452SS..Hα-helixtrans-72.9-39179.1-175.60000110.5C20 R22 G23 L28 L29C20-V25 HydrophobicContact CB-CB 4.5Å; C20-V25 HydrophobicContact CB-CG1 4.12Å; C20-V25 VanDerWaalsContact SG-CG1 3.59Å; R22-V25 HydrophobicContact CB-CB 4.47Å; R22-V25 HydrophobicContact CB-CG2 4.15Å; R22-V25 PolarHBondContact O-N 2.96Å; G23-V25 PolarHBondContact O-N 3.37Å; V25-L28 PolarHBondContact O-N 2.9Å; V25-L29 HydrophobicContact CG1-CD1 4.05Å; V25-L29 HydrophobicContact CG1-CG 4.39Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.47Å; V25-L29 PolarHBondContact O-N 3.43Å
26V85.1Confident85.5Confident24 Ų2484.6 Ų84.615%0.14542%0.423CS..Hα-helixtrans-59.7-48.6174.2174.40000110.6C20 R22 G23 L28 L29 E30C20-V26 HydrophobicContact CB-CG2 3.97Å; C20-V26 WeakPolarHBondContact O-CG2 3.34Å; R22-V26 WeakPolarHBondContact O-CG2 3.4Å; R22-V26 PolarHBondContact O-N 3.5Å; G23-V26 PolarHBondContact O-N 3Å; V26-L28 PolarHBondContact O-N 3.44Å; V26-L29 PolarHBondContact O-N 3.35Å; V26-E30 HydrophobicContact CG1-CG 4.27Å; V26-E30 WeakPolarHBondContact CG1-OE1 3.42Å; V26-E30 WeakPolarHBondContact O-CB 3.34Å; V26-E30 WeakPolarHBondContact O-CG 3.36Å; V26-E30 PolarHBondContact O-N 3.47Å
27N83Confident85.3Confident94 Ų9483 Ų8350%0.50342%0.417SS..Hα-helixtrans-60.3-45.4177.6-70.2-10.2000111.7G23 L29 E30 E31G23-N27 WeakPolarHBondContact O-CB 3.37Å; G23-N27 PolarHBondContact O-N 3.38Å; G23-N27 PolarHBondContact O-OD1 3.14Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 PolarHBondContact O-N 2.99Å; N27-E30 PolarHBondContact O-N 2.87Å; N27-E31 WeakPolarHBondContact O-CB 3.43Å; N27-E31 WeakPolarHBondContact O-CG 3.44Å; N27-E31 PolarHBondContact O-N 3.03Å
28L83.6Confident85.1Confident117 Ų11783.1 Ų83.161%0.61342%0.418SS*.Hα-helixtrans-58.5-45.4177-179.568.1000111.9S24 V25 V26 R32S24-L28 WeakPolarHBondContact O-CB 3.22Å; S24-L28 PolarHBondContact O-N 2.8Å; V25-L28 PolarHBondContact O-N 2.9Å; V26-L28 PolarHBondContact O-N 3.44Å; L28-R32 PolarHBondContact O-N 3.02Å; L28-R32 VanDerWaalsContact O-N 3.11Å
29L87.3Confident84.6Confident20 Ų2077.8 Ų77.811%0.10539%0.394CS..Hα-helixtrans-67.9-43.4178.2-71.6172.5000111.7L13 L16 R17 C20 V25 V26 N27 E31 R32 I33L13-L29 HydrophobicContact CD2-CD2 3.57Å; L16-L29 HydrophobicContact CB-CD1 4.2Å; L16-L29 HydrophobicContact CB-CD2 4.44Å; R17-L29 HydrophobicContact CB-CB 4.35Å; R17-L29 HydrophobicContact CB-CD1 4.32Å; C20-L29 HydrophobicContact CB-CD1 4.18Å; C20-L29 WeakPolarHBondContact SG-CD1 3.28Å; V25-L29 HydrophobicContact CG1-CD1 4.05Å; V25-L29 HydrophobicContact CG1-CG 4.39Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.47Å; V25-L29 PolarHBondContact O-N 3.43Å; V26-L29 PolarHBondContact O-N 3.35Å; N27-L29 VanDerWaalsContact C-N 3.34Å; N27-L29 PolarHBondContact O-N 2.99Å; L29-E31 PolarHBondContact O-N 3.13Å; L29-R32 PolarHBondContact O-N 3.43Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 3.27Å
30E87.1Confident84.1Confident76 Ų7673 Ų7336%0.35537%0.37SS..Hα-helixtrans-63.8-40.2178.8-76.1-178.5179.100112.2R17 V26 N27 I33 K34R17-E30 HydrophobicContact CG-CG 4.22Å; R17-E30 IonicContact CZ-OE1 2.8Å; R17-E30 IonicContact NE-OE1 3.65Å; R17-E30 PolarHBondContact NE-OE1 2.9Å; R17-E30 IonicContact NH2-OE1 3.98Å; R17-E30 PolarHBondContact NH2-OE1 3.45Å; V26-E30 HydrophobicContact CG1-CG 4.27Å; V26-E30 WeakPolarHBondContact CG1-OE1 3.42Å; V26-E30 WeakPolarHBondContact O-CB 3.34Å; V26-E30 WeakPolarHBondContact O-CG 3.36Å; V26-E30 PolarHBondContact O-N 3.47Å; N27-E30 PolarHBondContact O-N 2.87Å; E30-I33 PolarHBondContact O-N 2.93Å; E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 PolarHBondContact O-N 3.38Å
31E85.1Confident83.9Confident119 Ų11977.2 Ų77.256%0.55639%0.386SS*.Hα-helixtrans-59.6-46.9171.4-76.9179.9-172.700111.1N27 L29 I33 K34 Q35N27-E31 WeakPolarHBondContact O-CB 3.43Å; N27-E31 WeakPolarHBondContact O-CG 3.44Å; N27-E31 PolarHBondContact O-N 3.03Å; L29-E31 PolarHBondContact O-N 3.13Å; E31-I33 PolarHBondContact O-N 3.37Å; E31-K34 PolarHBondContact O-N 3.03Å; E31-Q35 WeakPolarHBondContact O-CG 3.3Å; E31-Q35 PolarHBondContact O-N 3.21Å
32R85.4Confident83.3Confident61 Ų6174.7 Ų74.723%0.2337%0.374CS..Hα-helixtrans-64.7-40179-167.568.7-176.6122.33.2112.4L13 L28 L29 Q35 L36 P56L13-R32 HydrophobicContact CD1-CB 4.15Å; L13-R32 HydrophobicContact CD1-CG 3.53Å; L13-R32 HydrophobicContact CD2-CG 4.27Å; L28-R32 PolarHBondContact O-N 3.02Å; L28-R32 VanDerWaalsContact O-N 3.11Å; L29-R32 PolarHBondContact O-N 3.43Å; R32-Q35 PolarHBondContact O-N 3.19Å; R32-L36 HydrophobicContact CG-CD1 4.32Å; R32-L36 PolarHBondContact O-N 3.32Å; R32-P56 VanDerWaalsContact CZ-CG 3.45Å; R32-P56 VanDerWaalsContact NH1-CG 3.35Å
33I88.1Confident82.4Confident28 Ų2867.5 Ų67.514%0.14436%0.357CS..Hα-helixtrans-60.2-48.6174.7-70.2164.3000110.3L13 K14 R17 L29 E30 E31 Q35 L36 S37L13-I33 HydrophobicContact CB-CD1 4.24Å; L13-I33 HydrophobicContact CB-CG1 3.64Å; L13-I33 HydrophobicContact CD1-CG1 4.5Å; K14-I33 HydrophobicContact CG-CD1 4.21Å; K14-I33 HydrophobicContact CG-CG2 4.49Å; R17-I33 HydrophobicContact CB-CD1 3.99Å; R17-I33 HydrophobicContact CG-CD1 4.28Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 WeakPolarHBondContact O-CG1 3.18Å; L29-I33 PolarHBondContact O-N 3.27Å; E30-I33 PolarHBondContact O-N 2.93Å; E31-I33 PolarHBondContact O-N 3.37Å; I33-Q35 PolarHBondContact O-N 3.29Å; I33-L36 PolarHBondContact O-N 3.03Å; I33-S37 WeakPolarHBondContact O-CB 3.45Å; I33-S37 PolarHBondContact O-N 3.47Å; I33-S37 PolarHBondContact O-OG 2.97Å
34K86.8Confident81.6Confident126 Ų12669.6 Ų69.655%0.54836%0.364SS..Hα-helixtrans-63.2-31.3179.8-174.1175.5-176.9175.80112.7E30 E31 S37 R38E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 PolarHBondContact O-N 3.38Å; E31-K34 PolarHBondContact O-N 3.03Å; K34-S37 PolarHBondContact O-OG 3.4Å; K34-R38 WeakPolarHBondContact O-CG 3.39Å; K34-R38 PolarHBondContact O-N 2.83Å
35Q80.8Confident80.7Confident16 Ų1669.8 Ų69.88%0.07536%0.361CS..Hα-helixtrans-72.5-48.3175.9-71.1171.74.900112.1E31 R32 I33 S37 R38 I39 L57E31-Q35 WeakPolarHBondContact O-CG 3.3Å; E31-Q35 PolarHBondContact O-N 3.21Å; R32-Q35 PolarHBondContact O-N 3.19Å; I33-Q35 PolarHBondContact O-N 3.29Å; Q35-S37 VanDerWaalsContact C-N 3.33Å; Q35-S37 PolarHBondContact O-N 3.48Å; Q35-R38 PolarHBondContact O-N 3.32Å; Q35-I39 PolarHBondContact O-N 3.03Å; Q35-L57 HydrophobicContact CB-CG 4.5Å; Q35-L57 HydrophobicContact CG-CB 3.65Å; Q35-L57 HydrophobicContact CG-CD1 4.06Å; Q35-L57 HydrophobicContact CG-CG 3.92Å; Q35-L57 VanDerWaalsContact NE2-N 3.2Å; Q35-L57 PolarHBondContact NE2-O 3.32Å
36L83.4Confident79Confident0 Ų073.5 Ų73.50%039%0.386CS..Hα-helixtrans-66-37.1178.8-79.5163.7000111.7M1 A6 D9 L10 L13 R32 I33 R38 I39 V40M1-L36 HydrophobicContact CE-CD2 3.7Å; M1-L36 HydrophobicContact SD-CD2 4.19Å; A6-L36 HydrophobicContact CB-CD2 4.2Å; D9-L36 HydrophobicContact CB-CD1 3.94Å; L10-L36 HydrophobicContact CD1-CB 4.41Å; L13-L36 HydrophobicContact CD1-CD1 3.28Å; R32-L36 HydrophobicContact CG-CD1 4.32Å; R32-L36 PolarHBondContact O-N 3.32Å; I33-L36 PolarHBondContact O-N 3.03Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 3.32Å; L36-I39 HydrophobicContact CD2-CD1 4.46Å; L36-I39 PolarHBondContact O-N 2.95Å; L36-I39 VanDerWaalsContact O-N 3.14Å; L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 3.19Å
37S85.1Confident77.2Confident35 Ų3575.9 Ų75.925%0.24542%0.416CS..Hα-helixtrans-59.6-40.5175.3730000111.9I33 K34 Q35 V40 E41I33-S37 WeakPolarHBondContact O-CB 3.45Å; I33-S37 PolarHBondContact O-N 3.47Å; I33-S37 PolarHBondContact O-OG 2.97Å; K34-S37 PolarHBondContact O-OG 3.4Å; Q35-S37 VanDerWaalsContact C-N 3.33Å; Q35-S37 PolarHBondContact O-N 3.48Å; S37-V40 PolarHBondContact O-N 3.49Å; S37-E41 WeakPolarHBondContact O-CB 3.4Å; S37-E41 WeakPolarHBondContact O-CG 3.22Å; S37-E41 PolarHBondContact O-N 2.91Å
38R83.6Confident75.3Confident111 Ų11179.2 Ų79.242%0.41943%0.428SS..Hα-helixtrans-63.8-39.8174.6-75.4175.5179.4-179.9-1.9112.8K34 Q35 L36 E41 Q42 L57K34-R38 WeakPolarHBondContact O-CG 3.39Å; K34-R38 PolarHBondContact O-N 2.83Å; Q35-R38 PolarHBondContact O-N 3.32Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 3.32Å; R38-E41 PolarHBondContact O-N 3.33Å; R38-Q42 VanDerWaalsContact O-CB 3.3Å; R38-Q42 WeakPolarHBondContact O-CB 3.3Å; R38-Q42 VanDerWaalsContact O-CG 3.22Å; R38-Q42 WeakPolarHBondContact O-CG 3.41Å; R38-Q42 PolarHBondContact O-N 2.84Å; R38-L57 VanDerWaalsContact NH1-CD1 3.29Å
39I78.6Confident73.1Confident46 Ų4682 Ų8224%0.23644%0.442CS..Hα-helixtrans-64.8-44.5177.8-66168.5000110M1 Q35 L36 Q42 A43M1-I39 HydrophobicContact SD-CD1 4.35Å; Q35-I39 PolarHBondContact O-N 3.03Å; L36-I39 HydrophobicContact CD2-CD1 4.46Å; L36-I39 PolarHBondContact O-N 2.95Å; L36-I39 VanDerWaalsContact O-N 3.14Å; I39-Q42 PolarHBondContact O-N 3.42Å; I39-A43 WeakPolarHBondContact O-CB 3.43Å; I39-A43 PolarHBondContact O-N 3.11Å
40V80.8Confident71.1Confident29 Ų2984.5 Ų84.518%0.17646%0.462CS..Hα-helixtrans-65-40.1177.8175.30000111.3A6 K7 L10 L36 S37 S44A6-V40 HydrophobicContact CB-CG2 4.06Å; K7-V40 HydrophobicContact CG-CG1 4.18Å; K7-V40 HydrophobicContact CG-CG2 4.23Å; L10-V40 HydrophobicContact CD1-CG2 4.44Å; L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 3.19Å; S37-V40 PolarHBondContact O-N 3.49Å; V40-S44 PolarHBondContact O-N 3.46Å
41E80.6Confident68.6Low126 Ų12688.1 Ų88.159%0.58949%0.489SS*.Hα-helixtrans-66.1-47.4175.3-78.2174.3-179.900112.3S37 R38 A43 S44S37-E41 WeakPolarHBondContact O-CB 3.4Å; S37-E41 WeakPolarHBondContact O-CG 3.22Å; S37-E41 PolarHBondContact O-N 2.91Å; R38-E41 PolarHBondContact O-N 3.33Å; E41-A43 VanDerWaalsContact C-N 3.26Å; E41-A43 PolarHBondContact O-N 3.03Å; E41-S44 WeakPolarHBondContact O-CB 3.36Å; E41-S44 PolarHBondContact O-N 3.44Å; E41-S44 PolarHBondContact O-OG 2.89Å
42Q73.6Confident66.9Low139 Ų13987.5 Ų87.565%0.6550%0.498SS*.Hα-helixtrans-64.3-30.9178.9-74.7176.72.300112.6R38 I39 S44 V45R38-Q42 VanDerWaalsContact O-CB 3.3Å; R38-Q42 WeakPolarHBondContact O-CB 3.3Å; R38-Q42 VanDerWaalsContact O-CG 3.22Å; R38-Q42 WeakPolarHBondContact O-CG 3.41Å; R38-Q42 PolarHBondContact O-N 2.84Å; I39-Q42 PolarHBondContact O-N 3.42Å; Q42-S44 VanDerWaalsContact C-N 3.25Å; Q42-S44 PolarHBondContact O-N 3.49Å; Q42-V45 WeakPolarHBondContact O-CG2 3.4Å
43A66.7Low64.9Low48 Ų4890.8 Ų90.840%0.39753%0.531SS..Hα-helixtrans-72.8-17174.400000113.5I3 I39 E41I3-A43 HydrophobicContact CD1-CB 3.62Å; I3-A43 HydrophobicContact CG1-CB 3.82Å; I39-A43 WeakPolarHBondContact O-CB 3.43Å; I39-A43 PolarHBondContact O-N 3.11Å; E41-A43 VanDerWaalsContact C-N 3.26Å; E41-A43 PolarHBondContact O-N 3.03Å
44S64.8Low62.5Low91 Ų9192.5 Ų92.564%0.63656%0.555SS**THydrogen-bonded Turntrans-86.1-11.5178.878.90000114.3V40 E41 Q42 P46V40-S44 PolarHBondContact O-N 3.46Å; E41-S44 WeakPolarHBondContact O-CB 3.36Å; E41-S44 PolarHBondContact O-N 3.44Å; E41-S44 PolarHBondContact O-OG 2.89Å; Q42-S44 VanDerWaalsContact C-N 3.25Å; Q42-S44 PolarHBondContact O-N 3.49Å; S44-P46 WeakPolarHBondContact O-CD 3.45Å
45V61Low60.7Low102 Ų10288.5 Ų88.562%0.61855%0.549SS*.SBendtrans-98.3109.3175.5-105.30000110.1Q42 G47Q42-V45 WeakPolarHBondContact O-CG2 3.4Å; V45-G47 PolarHBondContact O-N 2.99Å; V45-G47 VanDerWaalsContact O-N 3.13Å
46P47.8Very low59.2Low135 Ų13589 Ų8988%0.87755%0.554SS**  trans-73.5104.9175.828.1-30.3000109.1S44S44-P46 WeakPolarHBondContact O-CD 3.45Å
47G48.2Very low57.7Low74 Ų7493.9 Ų93.976%0.76358%0.58SS**  trans172.8-1.6175.100000121V45V45-G47 PolarHBondContact O-N 2.99Å; V45-G47 VanDerWaalsContact O-N 3.13Å
48H43.7Very low56.4Low165 Ų16593.3 Ų93.376%0.76458%0.575SS**  trans-137.690.2177.8-151.866.7000113.3S50H48-S50 VanDerWaalsContact C-N 3.32Å; H48-S50 PolarHBondContact CD2-OG 2.92Å; H48-S50 PolarHBondContact NE2-OG 3.03Å; H48-S50 PolarHBondContact O-N 3.41Å
49L37.4Very low55.6Low174 Ų17490.5 Ų90.591%0.91158%0.58SS**  trans-69.289.1162.3-78.2155.7000109
50S43.8Very low55.7Low74 Ų7491.9 Ų91.952%0.51759%0.591SS.*  trans-13886.8158.4-68.30000107.5H48 S52H48-S50 VanDerWaalsContact C-N 3.32Å; H48-S50 PolarHBondContact CD2-OG 2.92Å; H48-S50 PolarHBondContact NE2-OG 3.03Å; H48-S50 PolarHBondContact O-N 3.41Å; S50-S52 PolarHBondContact O-N 2.89Å
51T36Very low55.9Low151 Ų15193.6 Ų93.693%0.92660%0.601SS**  trans-55.594.4168.733.20000110.2
52S47.7Very low56.3Low107 Ų10795.5 Ų95.575%0.74861%0.608SS**  trans-120.3119.3153.358.40000107.4S50 G54S50-S52 PolarHBondContact O-N 2.89Å; S52-G54 PolarHBondContact O-N 3.05Å
53S44.5Very low57.1Low130 Ų13089.8 Ų89.891%0.90958%0.582SS**  trans-59.8101.6-175.946.40000111.1
54G38.3Very low58Low63 Ų6393.4 Ų93.465%0.64960%0.599SS**  trans-73.3119.2176.300000112.8S52S52-G54 PolarHBondContact O-N 3.05Å
55G48.6Very low59.1Low42 Ų4295.2 Ų95.243%0.43360%0.601SS.*  trans-98.4-177.9150.200000110.3L57G55-L57 PolarHBondContact O-N 3.49Å
56P49.4Very low60.6Low27 Ų2793.3 Ų93.318%0.17558%0.584CS.*  trans-45.3136173.4-17.126.8000110.3R32 V58R32-P56 VanDerWaalsContact CZ-CG 3.45Å; R32-P56 VanDerWaalsContact NH1-CG 3.35Å; P56-V58 HydrophobicContact CB-CG2 4.16Å; P56-V58 PolarHBondContact O-N 2.67Å
57L51Low62.8Low102 Ų10289.6 Ų89.653%0.53456%0.564SS.*  trans-65.754.5172.7-54.8168.8000111.6Q35 R38 G55 G59Q35-L57 HydrophobicContact CB-CG 4.5Å; Q35-L57 HydrophobicContact CG-CB 3.65Å; Q35-L57 HydrophobicContact CG-CD1 4.06Å; Q35-L57 HydrophobicContact CG-CG 3.92Å; Q35-L57 VanDerWaalsContact NE2-N 3.2Å; Q35-L57 PolarHBondContact NE2-O 3.32Å; R38-L57 VanDerWaalsContact NH1-CD1 3.29Å; G55-L57 PolarHBondContact O-N 3.49Å; L57-G59 PolarHBondContact O-N 3.11Å
58V58.5Low65.1Low24 Ų2489.6 Ų89.615%0.14554%0.541CS..  trans-68.9118.7159.11710000105.3P56 T60 G110 N112P56-V58 HydrophobicContact CB-CG2 4.16Å; P56-V58 PolarHBondContact O-N 2.67Å; V58-T60 PolarHBondContact O-N 3.43Å; V58-T60 VanDerWaalsContact O-N 3.11Å; V58-G110 VanDerWaalsContact CG1-O 3.28Å; V58-G110 WeakPolarHBondContact CG1-O 3.28Å; V58-N112 HydrophobicContact CG1-CB 4.12Å; V58-N112 VanDerWaalsContact CG1-CG 3.47Å; V58-N112 VanDerWaalsContact CG1-N 3.27Å; V58-N112 WeakPolarHBondContact CG1-OD1 3.3Å
59G67.3Low67.6Low52 Ų5284.5 Ų84.554%0.53652%0.52SS..  trans-52.2121.6-179.800000110L57 T61 N112L57-G59 PolarHBondContact O-N 3.11Å; G59-T61 PolarHBondContact O-N 3.32Å; G59-N112 PolarHBondContact O-N 3.01Å; G59-N112 VanDerWaalsContact O-N 3.12Å
60T81.1Confident70.3Confident74 Ų7479.1 Ų79.145%0.45449%0.49SS..EExtended strand (participates in β ladder)trans-89.4107.1178-57.40000109.1V58 N112 S114V58-T60 PolarHBondContact O-N 3.43Å; V58-T60 VanDerWaalsContact O-N 3.11Å; T60-N112 CarbonylContact C-O 3.48Å; T60-N112 WeakPolarHBondContact CA-O 3.13Å; T60-N112 HydrophobicContact CG2-CB 4.15Å; T60-N112 WeakPolarHBondContact OG1-CB 3.38Å; T60-S114 WeakPolarHBondContact CG2-OG 3.37Å
61T84.8Confident72.8Confident65 Ų6577.8 Ų77.840%0.39948%0.48SS..EExtended strand (participates in β ladder)trans-80.7120.9173.1-59.40000109.3G59 L63 N112 Y113 S114G59-T61 PolarHBondContact O-N 3.32Å; T61-L63 PolarHBondContact O-N 3.23Å; T61-N112 PolarHBondContact N-O 3.34Å; T61-Y113 HydrophobicContact CG2-CD1 4.3Å; T61-Y113 HydrophobicContact CG2-CE1 4.32Å; T61-Y113 WeakPolarHBondContact O-CA 3.33Å; T61-S114 PolarHBondContact O-N 2.83Å
62K89.1Confident75.5Confident167 Ų16776.5 Ų76.573%0.72647%0.468SS*.EExtended strand (participates in β ladder)trans-74.2124.2169.3-67.8-174.9-179.4-178.10108.9T64 S114K62-T64 PolarHBondContact O-N 2.86Å; K62-S114 CarbonylContact C-O 3.6Å; K62-S114 WeakPolarHBondContact CA-O 3.46Å
63L89.2Confident77.8Confident19 Ų1977.4 Ų77.410%0.09946%0.458CS..PPolyproline II helixtrans-71.3127.8174.2-65.9168.7000108.8T61 F79 I81 F103 Y113 S114 F115T61-L63 PolarHBondContact O-N 3.23Å; L63-F79 HydrophobicContact CB-CD1 4.41Å; L63-F79 HydrophobicContact CD1-CB 4.5Å; L63-F79 HydrophobicContact CD1-CD1 4.16Å; L63-I81 HydrophobicContact CD1-CD1 3.44Å; L63-I81 VanDerWaalsContact CD1-CD1 3.44Å; L63-I81 HydrophobicContact CD2-CD1 3.63Å; L63-I81 HydrophobicContact CG-CD1 4.19Å; L63-F103 HydrophobicContact CD1-CE2 3.72Å; L63-F103 HydrophobicContact CD1-CZ 3.5Å; L63-F103 VanDerWaalsContact CD1-CZ 3.5Å; L63-Y113 HydrophobicContact CD2-CD1 3.7Å; L63-Y113 HydrophobicContact CD2-CE1 4.48Å; L63-Y113 HydrophobicContact CD2-CG 4.42Å; L63-Y113 HydrophobicContact CG-CD1 4.33Å; L63-S114 PolarHBondContact N-O 2.81Å; L63-F115 HydrophobicContact CB-CB 4.35Å; L63-F115 HydrophobicContact CB-CD2 4.22Å; L63-F115 HydrophobicContact CD1-CB 4.46Å; L63-F115 VanDerWaalsContact O-CD2 3.3Å; L63-F115 WeakPolarHBondContact O-CD2 3.22Å
64T86.1Confident80.3Confident123 Ų12373.3 Ų73.376%0.75542%0.424SS*.  trans-116.3-25.3177.552.80000112.1K62K62-T64 PolarHBondContact O-N 2.86Å
65N87.6Confident83.1Confident129 Ų12970.3 Ų70.369%0.6939%0.393SS*.  trans-92.2114.8178.5-167.2-5.1000110
66Y93Very high85.4Confident63 Ų6371 Ų7125%0.24739%0.385CS..  trans-146.5152.5172.962.3-89.4000109.4I77 Y78 F79 F115 L154 E158Y66-I77 HydrophobicContact CD2-CG2 3.91Å; Y66-I77 HydrophobicContact CG-CG2 4.33Å; Y66-Y78 VanDerWaalsContact CA-O 3.29Å; Y66-Y78 WeakPolarHBondContact CA-O 3.47Å; Y66-Y78 WeakPolarHBondContact CB-O 3.42Å; Y66-F79 VanDerWaalsContact CB-CE1 3.5Å; Y66-F79 HydrophobicContact CD1-CE1 4.27Å; Y66-F79 HydrophobicContact CG-CE1 4.04Å; Y66-F115 AromaticContact CD1-CE2 3.57Å; Y66-F115 HydrophobicContact CD1-CE2 3.57Å; Y66-F115 AromaticContact CD1-CZ 3.78Å; Y66-F115 HydrophobicContact CD1-CZ 3.78Å; Y66-F115 AromaticContact CE1-CE2 3.66Å; Y66-F115 HydrophobicContact CE1-CE2 3.66Å; Y66-F115 AromaticContact CE1-CZ 3.69Å; Y66-F115 HydrophobicContact CE1-CZ 3.69Å; Y66-F115 HydrophobicContact CG-CE2 4.44Å; Y66-F115 HydrophobicContact CG-CZ 4.35Å; Y66-L154 HydrophobicContact CD2-CD2 4.24Å; Y66-L154 HydrophobicContact CE2-CD2 3.46Å; Y66-L154 VanDerWaalsContact CE2-CD2 3.46Å; Y66-E158 PolarHBondContact OH-OE1 3.14Å
67A93.5Very high87.6Confident57 Ų5769.8 Ų69.847%0.47138%0.376SS..EExtended strand (participates in β ladder)trans-112.5157.8166.700000108.6I77 Y78A67-I77 CarbonylContact O-C 3.55Å; A67-I77 WeakPolarHBondContact O-CA 3.33Å; A67-Y78 PolarHBondContact N-O 3Å; A67-Y78 PolarHBondContact O-N 3.35Å
68W95.9Very high89.8Confident74 Ų7467.7 Ų67.728%0.2836%0.362SS..EExtended strand (participates in β ladder)trans-145.3150.2173.469.3-82000111V75 K76 I77 W151 L154W68-V75 HydrophobicContact CE3-CG1 3.85Å; W68-V75 HydrophobicContact CZ3-CG1 4.34Å; W68-K76 CarbonylContact C-O 3.56Å; W68-K76 WeakPolarHBondContact CA-O 3.27Å; W68-K76 VanDerWaalsContact CB-O 3.27Å; W68-K76 WeakPolarHBondContact CB-O 3.22Å; W68-I77 HydrophobicContact CB-CB 4.4Å; W68-I77 HydrophobicContact CB-CG1 4.07Å; W68-I77 HydrophobicContact CB-CG2 4.31Å; W68-W151 HydrophobicContact CH2-CB 4.19Å; W68-W151 WeakPolarHBondContact CH2-O 3.43Å; W68-W151 HydrophobicContact CZ3-CB 4.18Å; W68-L154 HydrophobicContact CD2-CB 4.19Å; W68-L154 HydrophobicContact CD2-CD1 4.21Å; W68-L154 HydrophobicContact CE3-CD1 4.35Å; W68-L154 HydrophobicContact CG-CB 4.45Å; W68-L154 HydrophobicContact CG-CD1 4.36Å; W68-L154 HydrophobicContact CG-CD2 4.39Å; W68-L154 HydrophobicContact CZ2-CB 4.18Å
69D96.1Very high91.5Very high57 Ų5766.6 Ų66.631%0.30536%0.355SS..EExtended strand (participates in β ladder)trans-133.4177.5172.175.638000110K76 Y78D69-K76 PolarHBondContact N-O 3.26Å; D69-K76 PolarHBondContact O-N 3.1Å; D69-K76 WeakPolarHBondContact OD1-CB 3.34Å; D69-K76 WeakPolarHBondContact OD1-CD 3.32Å; D69-K76 WeakPolarHBondContact OD1-CG 3.47Å; D69-Y78 HydrophobicContact CB-CE2 4.35Å; D69-Y78 VanDerWaalsContact OD2-CE2 3.22Å; D69-Y78 WeakPolarHBondContact OD2-CE2 3.22Å; D69-Y78 VanDerWaalsContact OD2-CZ 3.32Å; D69-Y78 PolarHBondContact OD2-OH 2.75Å
70Q96Very high92.7Very high62 Ų6268.2 Ų68.229%0.2936%0.358SS..EExtended strand (participates in β ladder)trans-145.2157.9173.466.1-175.8-46.300112.4F74 V75 W151Q70-F74 CarbonylContact C-O 3.51Å; Q70-F74 WeakPolarHBondContact CA-O 3.01Å; Q70-V75 HydrophobicContact CB-CG2 4.28Å; Q70-W151 PolarHBondContact NE2-O 3.23Å
71S94.8Very high93.1Very high45 Ų4565 Ų6532%0.31534%0.338SS..  trans-123.4179.4166.5580000108.8K73 F74 K144S71-K73 PolarHBondContact O-N 2.84Å; S71-K73 PolarHBondContact OG-N 2.92Å; S71-F74 PolarHBondContact N-O 3.38Å; S71-F74 PolarHBondContact OG-N 2.94Å; S71-F74 PolarHBondContact OG-O 2.76Å; S71-F74 VanDerWaalsContact OG-O 3.13Å; S71-K144 WeakPolarHBondContact O-CE 3.46Å; S71-K144 PolarHBondContact O-NZ 2.77Å
72D93.9Very high93.2Very high124 Ų12466.9 Ų66.966%0.66335%0.351SS*.SBendtrans-55.5-28174-59.7-17000112.8G148D72-G148 PolarHBondContact O-N 3.35Å
73K96.3Very high92.9Very high126 Ų12660 Ų6055%0.54832%0.323SS..SBendtrans-106.1-42.6-170.7-76.4-172.2-177.6179.60113.6S71 R143 K144S71-K73 PolarHBondContact O-N 2.84Å; S71-K73 PolarHBondContact OG-N 2.92Å; K73-R143 VanDerWaalsContact CA-NH2 3.25Å; K73-R143 VanDerWaalsContact CG-NH1 3.28Å; K73-R143 PolarHBondContact O-NE 2.84Å; K73-R143 PolarHBondContact O-NH2 3.15Å; K73-K144 WeakPolarHBondContact O-CB 3.09Å; K73-K144 PolarHBondContact O-N 2.88Å
74F96.4Very high92.6Very high45 Ų4567.9 Ų67.920%0.19736%0.36CS..EExtended strand (participates in β ladder)trans-126.4147-171.6-68.2-88.3000111.8Q70 S71 Y130 F141 L142 R143Q70-F74 CarbonylContact C-O 3.51Å; Q70-F74 WeakPolarHBondContact CA-O 3.01Å; S71-F74 PolarHBondContact N-O 3.38Å; S71-F74 PolarHBondContact OG-N 2.94Å; S71-F74 PolarHBondContact OG-O 2.76Å; S71-F74 VanDerWaalsContact OG-O 3.13Å; F74-Y130 HydrophobicContact CD1-CE1 4.44Å; F74-Y130 HydrophobicContact CE1-CD1 4.44Å; F74-Y130 AromaticContact CE1-CE1 3.81Å; F74-Y130 HydrophobicContact CE1-CE1 3.81Å; F74-Y130 HydrophobicContact CZ-CE1 4.12Å; F74-F141 HydrophobicContact CD1-CB 4.17Å; F74-L142 VanDerWaalsContact CA-O 3.3Å; F74-L142 WeakPolarHBondContact CA-O 3.11Å; F74-R143 HydrophobicContact CD1-CB 4.28Å; F74-R143 HydrophobicContact CE1-CB 3.87Å; F74-R143 HydrophobicContact CE1-CG 4.46Å
75V96.7Very high92.5Very high0 Ų066.6 Ų66.60%035%0.345CS..EExtended strand (participates in β ladder)trans-95.9129.4157179.30000106.9W68 Q70 I77 L142 K144 W151 L154W68-V75 HydrophobicContact CE3-CG1 3.85Å; W68-V75 HydrophobicContact CZ3-CG1 4.34Å; Q70-V75 HydrophobicContact CB-CG2 4.28Å; V75-I77 HydrophobicContact CG1-CG1 4.4Å; V75-L142 HydrophobicContact CB-CB 4.27Å; V75-L142 PolarHBondContact N-O 3.35Å; V75-L142 PolarHBondContact O-N 2.85Å; V75-K144 HydrophobicContact CG2-CD 4.44Å; V75-K144 VanDerWaalsContact CG2-CE 3.48Å; V75-K144 HydrophobicContact CG2-CG 4.1Å; V75-W151 HydrophobicContact CG2-CD2 3.62Å; V75-W151 HydrophobicContact CG2-CE3 3.88Å; V75-W151 HydrophobicContact CG2-CG 4.05Å; V75-W151 HydrophobicContact CG2-CH2 4.27Å; V75-W151 HydrophobicContact CG2-CZ2 4.03Å; V75-W151 HydrophobicContact CG2-CZ3 4.2Å; V75-L154 HydrophobicContact CG1-CD1 3.89Å
76K96.9Very high92.4Very high57 Ų5764.6 Ų64.625%0.24834%0.338CS..EExtended strand (participates in β ladder)trans-112.9134.7179.5-52.5178.8-162.3156.60109.4W68 D69 Y78 I140 F141W68-K76 CarbonylContact C-O 3.56Å; W68-K76 WeakPolarHBondContact CA-O 3.27Å; W68-K76 VanDerWaalsContact CB-O 3.27Å; W68-K76 WeakPolarHBondContact CB-O 3.22Å; D69-K76 PolarHBondContact N-O 3.26Å; D69-K76 PolarHBondContact O-N 3.1Å; D69-K76 WeakPolarHBondContact OD1-CB 3.34Å; D69-K76 WeakPolarHBondContact OD1-CD 3.32Å; D69-K76 WeakPolarHBondContact OD1-CG 3.47Å; K76-Y78 HydrophobicContact CB-CE2 4Å; K76-Y78 WeakPolarHBondContact CD-OH 3.45Å; K76-I140 CarbonylContact C-O 3.45Å; K76-I140 VanDerWaalsContact CA-O 3.3Å; K76-I140 WeakPolarHBondContact CA-O 3.46Å; K76-F141 HydrophobicContact CD-CD1 4.1Å; K76-F141 HydrophobicContact CD-CE1 3.58Å; K76-F141 HydrophobicContact CD-CZ 4.25Å; K76-F141 HydrophobicContact CG-CD1 3.79Å; K76-F141 HydrophobicContact CG-CE1 3.81Å
77I96.6Very high92.1Very high0 Ų062 Ų620%033%0.328CS..EExtended strand (participates in β ladder)trans-124.8126.1-179.1-47.7168.1000108.1Y66 A67 W68 V75 F79 F101 V139 I140 L142 L154Y66-I77 HydrophobicContact CD2-CG2 3.91Å; Y66-I77 HydrophobicContact CG-CG2 4.33Å; A67-I77 CarbonylContact O-C 3.55Å; A67-I77 WeakPolarHBondContact O-CA 3.33Å; W68-I77 HydrophobicContact CB-CB 4.4Å; W68-I77 HydrophobicContact CB-CG1 4.07Å; W68-I77 HydrophobicContact CB-CG2 4.31Å; V75-I77 HydrophobicContact CG1-CG1 4.4Å; I77-F79 HydrophobicContact CB-CE2 3.87Å; I77-F79 HydrophobicContact CB-CZ 4.31Å; I77-F79 HydrophobicContact CG2-CD2 4.24Å; I77-F79 HydrophobicContact CG2-CE1 4.29Å; I77-F79 HydrophobicContact CG2-CE2 3.35Å; I77-F79 HydrophobicContact CG2-CZ 3.38Å; I77-F101 HydrophobicContact CD1-CD1 4.46Å; I77-F101 HydrophobicContact CD1-CE1 3.34Å; I77-F101 HydrophobicContact CD1-CE2 4.41Å; I77-F101 HydrophobicContact CD1-CZ 3.3Å; I77-V139 CarbonylContact O-C 3.48Å; I77-V139 WeakPolarHBondContact O-CA 3.37Å; I77-I140 HydrophobicContact CB-CB 4.34Å; I77-I140 PolarHBondContact N-O 3.02Å; I77-I140 PolarHBondContact O-N 3.03Å; I77-L142 HydrophobicContact CD1-CD1 3.71Å; I77-L142 HydrophobicContact CD1-CG 4.39Å; I77-L154 HydrophobicContact CD1-CD1 3.9Å; I77-L154 HydrophobicContact CD1-CD2 4.12Å; I77-L154 HydrophobicContact CG1-CD1 4.22Å
78Y96.2Very high91.8Very high59 Ų5965 Ų6523%0.23133%0.332CS..EExtended strand (participates in β ladder)trans-108.7124.7-174.2-54.9-89.5000109.5Y66 A67 D69 K76 E137 V139Y66-Y78 VanDerWaalsContact CA-O 3.29Å; Y66-Y78 WeakPolarHBondContact CA-O 3.47Å; Y66-Y78 WeakPolarHBondContact CB-O 3.42Å; A67-Y78 PolarHBondContact N-O 3Å; A67-Y78 PolarHBondContact O-N 3.35Å; D69-Y78 HydrophobicContact CB-CE2 4.35Å; D69-Y78 VanDerWaalsContact OD2-CE2 3.22Å; D69-Y78 WeakPolarHBondContact OD2-CE2 3.22Å; D69-Y78 VanDerWaalsContact OD2-CZ 3.32Å; D69-Y78 PolarHBondContact OD2-OH 2.75Å; K76-Y78 HydrophobicContact CB-CE2 4Å; K76-Y78 WeakPolarHBondContact CD-OH 3.45Å; Y78-E137 WeakPolarHBondContact CD1-OE1 3.23Å; Y78-V139 HydrophobicContact CD1-CB 4.38Å; Y78-V139 HydrophobicContact CD1-CG1 3.81Å; Y78-V139 HydrophobicContact CD1-CG2 3.79Å; Y78-V139 HydrophobicContact CE1-CG1 3.69Å; Y78-V139 HydrophobicContact CE1-CG2 4.13Å
79F94.7Very high91.4Very high0 Ų067.8 Ų67.80%035%0.349CS..EExtended strand (participates in β ladder)trans-117.4115.9176.4-60.8-89.5000109.4L63 Y66 I77 I81 F101 F103 F115 E137 V138 I140L63-F79 HydrophobicContact CB-CD1 4.41Å; L63-F79 HydrophobicContact CD1-CB 4.5Å; L63-F79 HydrophobicContact CD1-CD1 4.16Å; Y66-F79 VanDerWaalsContact CB-CE1 3.5Å; Y66-F79 HydrophobicContact CD1-CE1 4.27Å; Y66-F79 HydrophobicContact CG-CE1 4.04Å; I77-F79 HydrophobicContact CB-CE2 3.87Å; I77-F79 HydrophobicContact CB-CZ 4.31Å; I77-F79 HydrophobicContact CG2-CD2 4.24Å; I77-F79 HydrophobicContact CG2-CE1 4.29Å; I77-F79 HydrophobicContact CG2-CE2 3.35Å; I77-F79 HydrophobicContact CG2-CZ 3.38Å; F79-I81 HydrophobicContact CB-CD1 4.21Å; F79-F101 HydrophobicContact CZ-CE2 4.43Å; F79-F101 HydrophobicContact CZ-CZ 4.27Å; F79-F103 HydrophobicContact CB-CZ 4.26Å; F79-F103 HydrophobicContact CD1-CE1 4.09Å; F79-F103 AromaticContact CD1-CZ 3.9Å; F79-F103 HydrophobicContact CD1-CZ 3.9Å; F79-F103 AromaticContact CD2-CE1 3.66Å; F79-F103 HydrophobicContact CD2-CE1 3.66Å; F79-F103 AromaticContact CD2-CZ 3.81Å; F79-F103 HydrophobicContact CD2-CZ 3.81Å; F79-F103 AromaticContact CE1-CE1 3.94Å; F79-F103 HydrophobicContact CE1-CE1 3.94Å; F79-F103 HydrophobicContact CE1-CZ 4.2Å; F79-F103 HydrophobicContact CE2-CD1 4.49Å; F79-F103 AromaticContact CE2-CE1 3.5Å; F79-F103 HydrophobicContact CE2-CE1 3.5Å; F79-F103 VanDerWaalsContact CE2-CE1 3.5Å; F79-F103 HydrophobicContact CE2-CZ 4.12Å; F79-F103 AromaticContact CG-CE1 3.96Å; F79-F103 HydrophobicContact CG-CE1 3.96Å; F79-F103 AromaticContact CG-CZ 3.7Å; F79-F103 HydrophobicContact CG-CZ 3.7Å; F79-F103 AromaticContact CZ-CE1 3.65Å; F79-F103 HydrophobicContact CZ-CE1 3.65Å; F79-F103 HydrophobicContact CZ-CZ 4.3Å; F79-F115 HydrophobicContact CD1-CD2 4.44Å; F79-F115 HydrophobicContact CD1-CG 4.41Å; F79-F115 HydrophobicContact CE1-CB 4.12Å; F79-F115 AromaticContact CE1-CD1 3.59Å; F79-F115 HydrophobicContact CE1-CD1 3.59Å; F79-F115 AromaticContact CE1-CD2 3.53Å; F79-F115 HydrophobicContact CE1-CD2 3.53Å; F79-F115 AromaticContact CE1-CE1 3.76Å; F79-F115 HydrophobicContact CE1-CE1 3.76Å; F79-F115 AromaticContact CE1-CE2 3.72Å; F79-F115 HydrophobicContact CE1-CE2 3.72Å; F79-F115 AromaticContact CE1-CG 3.45Å; F79-F115 HydrophobicContact CE1-CG 3.45Å; F79-F115 VanDerWaalsContact CE1-CG 3.45Å; F79-F115 AromaticContact CE1-CZ 3.82Å; F79-F115 HydrophobicContact CE1-CZ 3.82Å; F79-F115 HydrophobicContact CE2-CD1 4.47Å; F79-F115 HydrophobicContact CZ-CB 4.49Å; F79-F115 AromaticContact CZ-CD1 3.38Å; F79-F115 HydrophobicContact CZ-CD1 3.38Å; F79-F115 HydrophobicContact CZ-CD2 4.2Å; F79-F115 AromaticContact CZ-CE1 3.45Å; F79-F115 HydrophobicContact CZ-CE1 3.45Å; F79-F115 VanDerWaalsContact CZ-CE1 3.45Å; F79-F115 HydrophobicContact CZ-CE2 4.28Å; F79-F115 AromaticContact CZ-CG 3.77Å; F79-F115 HydrophobicContact CZ-CG 3.77Å; F79-F115 AromaticContact CZ-CZ 3.91Å; F79-F115 HydrophobicContact CZ-CZ 3.91Å; F79-E137 VanDerWaalsContact O-CA 3.3Å; F79-E137 WeakPolarHBondContact O-CA 3.38Å; F79-V138 HydrophobicContact CB-CB 4.27Å; F79-V138 PolarHBondContact N-O 3.34Å; F79-V138 PolarHBondContact O-N 3.2Å; F79-I140 HydrophobicContact CD2-CG1 4.17Å; F79-I140 HydrophobicContact CE2-CB 4.49Å; F79-I140 HydrophobicContact CE2-CG1 3.76Å
80S92.3Very high91Very high87 Ų8769.5 Ų69.561%0.60837%0.365SS*.EExtended strand (participates in β ladder)trans-89.1117171.7-59.60000109.3
81I90.1Very high90.6Very high5 Ų568.9 Ų68.93%0.02636%0.363CS..  trans-98.1124.2-178.2-47.5-60.4000108.9L63 F79 T83 I87 I105 L108 Y113 N136 V138L63-I81 HydrophobicContact CD1-CD1 3.44Å; L63-I81 VanDerWaalsContact CD1-CD1 3.44Å; L63-I81 HydrophobicContact CD2-CD1 3.63Å; L63-I81 HydrophobicContact CG-CD1 4.19Å; F79-I81 HydrophobicContact CB-CD1 4.21Å; I81-T83 HydrophobicContact CB-CG2 4.36Å; I81-T83 HydrophobicContact CG2-CG2 4.08Å; I81-T83 PolarHBondContact O-N 3.12Å; I81-I87 HydrophobicContact CB-CD1 4.4Å; I81-I87 HydrophobicContact CG1-CD1 3.91Å; I81-I105 HydrophobicContact CD1-CD1 4.25Å; I81-I105 HydrophobicContact CG1-CD1 4.23Å; I81-L108 HydrophobicContact CB-CD2 4.49Å; I81-L108 HydrophobicContact CG2-CD2 3.65Å; I81-Y113 HydrophobicContact CG2-CD1 4.14Å; I81-Y113 HydrophobicContact CG2-CD2 3.94Å; I81-Y113 HydrophobicContact CG2-CE1 4.02Å; I81-Y113 HydrophobicContact CG2-CE2 3.85Å; I81-Y113 HydrophobicContact CG2-CG 4.08Å; I81-N136 PolarHBondContact N-O 3.01Å; I81-V138 HydrophobicContact CG1-CG2 4.44Å
82P86.3Confident90.4Very high105 Ų10567.5 Ų67.568%0.68235%0.352SS*.  trans-77.472.5-178.732.8-35.8000110.7Y113P82-Y113 HydrophobicContact CG-CE1 4.4Å
83T82.9Confident90.3Very high22 Ų2268.2 Ų68.214%0.13535%0.349CS..  trans-136.7153.2176.7-171.40000110.9I81 E85 L108I81-T83 HydrophobicContact CB-CG2 4.36Å; I81-T83 HydrophobicContact CG2-CG2 4.08Å; I81-T83 PolarHBondContact O-N 3.12Å; T83-E85 WeakPolarHBondContact CG2-O 3.41Å; T83-E85 PolarHBondContact OG1-N 3.48Å; T83-L108 HydrophobicContact CG2-CD1 4.12Å; T83-L108 HydrophobicContact CG2-CD2 3.7Å; T83-L108 HydrophobicContact CG2-CG 3.9Å
84E82.1Confident90.3Very high185 Ų18564 Ų6486%0.86433%0.334SS*.SBendtrans-91.4-17.6170.6-61.9-172.9175.100112.2
85E83.9Confident90.2Very high97 Ų9765.4 Ų65.445%0.45334%0.341SS..SBendtrans-76.4148.7179.4-66.6179-169.500111.7T83 L108 G109T83-E85 WeakPolarHBondContact CG2-O 3.41Å; T83-E85 PolarHBondContact OG1-N 3.48Å; E85-L108 HydrophobicContact CB-CD1 4Å; E85-G109 WeakPolarHBondContact OE1-CA 3.39Å; E85-G109 WeakPolarHBondContact OE2-CA 3.37Å; E85-G109 PolarHBondContact OE2-N 3.29Å
86T86.4Confident90.2Very high87 Ų8767.2 Ų67.253%0.53435%0.35SS..  trans-78.4131.4174.8-60.20000109.4E88 K135T86-E88 PolarHBondContact O-N 3.19Å; T86-E88 VanDerWaalsContact O-N 3.15Å; T86-K135 WeakPolarHBondContact CA-O 2.81Å
87I87.3Confident90.1Very high8 Ų869.5 Ų69.54%0.04136%0.36CS..  trans-70.9110.3177.3-52.8171.7000109.1I81 I105 L108 L133 K135 V138I81-I87 HydrophobicContact CB-CD1 4.4Å; I81-I87 HydrophobicContact CG1-CD1 3.91Å; I87-I105 HydrophobicContact CD1-CD1 4.37Å; I87-I105 HydrophobicContact CG2-CD1 4.37Å; I87-I105 HydrophobicContact CG2-CG2 4.11Å; I87-L108 HydrophobicContact CD1-CD2 4.45Å; I87-L108 HydrophobicContact CG1-CD1 4.14Å; I87-L108 HydrophobicContact CG1-CD2 3.9Å; I87-L133 HydrophobicContact CG2-CD1 4.12Å; I87-L133 HydrophobicContact CG2-CD2 4.09Å; I87-K135 PolarHBondContact N-O 3.12Å; I87-V138 HydrophobicContact CD1-CG2 3.64Å
88E86.7Confident90Very high119 Ų11973.8 Ų73.856%0.55638%0.379SS*.  trans-80.2140.3172.2-63.9-172177.300111.3T86 S90 N91T86-E88 PolarHBondContact O-N 3.19Å; T86-E88 VanDerWaalsContact O-N 3.15Å; E88-S90 WeakPolarHBondContact CB-OG 3.13Å; E88-S90 PolarHBondContact O-N 3.17Å; E88-S90 PolarHBondContact OE2-OG 3.2Å; E88-N91 PolarHBondContact O-N 3.27Å; E88-N91 VanDerWaalsContact O-N 3.14Å
89E87.5Confident89.8Confident134 Ų13474.7 Ų74.763%0.62639%0.391SS*.G310 helixtrans-62.3-32.7178.8-164.6176.3174.900112.4N91 M92 Y131 L133E89-N91 PolarHBondContact O-N 2.83Å; E89-M92 PolarHBondContact O-N 3.15Å; E89-M92 VanDerWaalsContact O-N 3.12Å; E89-Y131 HydrophobicContact CG-CE2 4.37Å; E89-Y131 VanDerWaalsContact CG-OH 3.22Å; E89-Y131 WeakPolarHBondContact CG-OH 3.45Å; E89-Y131 PolarHBondContact OE1-OH 3.02Å; E89-L133 HydrophobicContact CB-CD1 3.99Å; E89-L133 HydrophobicContact CG-CD1 4.31Å
90S87.7Confident89.8Confident92 Ų9274.9 Ų74.964%0.64339%0.393SS*.G310 helixtrans-56.4-30.2175530000113.6E88E88-S90 WeakPolarHBondContact CB-OG 3.13Å; E88-S90 PolarHBondContact O-N 3.17Å; E88-S90 PolarHBondContact OE2-OG 3.2Å
91N87.5Confident89.9Confident49 Ų4971 Ų7126%0.26237%0.365SS..G310 helixtrans-92.3-5.9-176.3-73.9-20.5000113E88 E89 I105 K106E88-N91 PolarHBondContact O-N 3.27Å; E88-N91 VanDerWaalsContact O-N 3.14Å; E89-N91 PolarHBondContact O-N 2.83Å; N91-I105 CarbonylContact O-C 3.59Å; N91-I105 WeakPolarHBondContact O-CA 3.35Å; N91-K106 WeakPolarHBondContact CB-O 3.38Å; N91-K106 PolarHBondContact O-N 2.74Å
92M90.2Very high90.1Very high17 Ų1774.7 Ų74.78%0.08438%0.382CS..EExtended strand (participates in β ladder)trans-104.2130.6-177.9-176.7154161.500111.7E89 V94 F103 E104 I105 Y131 L133 V138 I140E89-M92 PolarHBondContact O-N 3.15Å; E89-M92 VanDerWaalsContact O-N 3.12Å; M92-V94 HydrophobicContact CE-CB 4.3Å; M92-F103 HydrophobicContact CE-CB 3.96Å; M92-F103 HydrophobicContact CE-CD2 4.1Å; M92-F103 HydrophobicContact CE-CG 4.07Å; M92-E104 WeakPolarHBondContact CA-O 3.41Å; M92-I105 HydrophobicContact CG-CG1 4.42Å; M92-I105 HydrophobicContact SD-CG1 4.23Å; M92-Y131 HydrophobicContact CE-CD2 3.58Å; M92-Y131 HydrophobicContact CE-CE2 4.03Å; M92-Y131 HydrophobicContact CE-CG 3.86Å; M92-Y131 HydrophobicContact CG-CE2 4.27Å; M92-Y131 HydrophobicContact SD-CD2 3.95Å; M92-Y131 HydrophobicContact SD-CE2 3.98Å; M92-L133 HydrophobicContact SD-CD2 3.51Å; M92-L133 VanDerWaalsContact SD-CD2 3.51Å; M92-V138 HydrophobicContact CE-CG1 3.54Å; M92-V138 HydrophobicContact SD-CG1 3.93Å; M92-V138 HydrophobicContact SD-CG2 4.22Å; M92-I140 HydrophobicContact CE-CD1 3.9Å
93K92.9Very high90.5Very high138 Ų13869.9 Ų69.960%0.635%0.351SS*.EExtended strand (participates in β ladder)trans-118.4128.2169.1-174178.1179.2-177.10108.7F103 E104K93-F103 CarbonylContact O-C 3.54Å; K93-F103 WeakPolarHBondContact O-CA 3.32Å; K93-F103 WeakPolarHBondContact O-CB 3.4Å; K93-E104 PolarHBondContact N-O 2.83Å; K93-E104 PolarHBondContact O-N 2.82Å
94V94.2Very high91Very high38 Ų3871.5 Ų71.523%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-12514417566.10000110.1M92 F96 Q102 F103 Y131 I140M92-V94 HydrophobicContact CE-CB 4.3Å; V94-F96 HydrophobicContact CG1-CE2 3.98Å; V94-F96 HydrophobicContact CG1-CZ 4.33Å; V94-F96 HydrophobicContact CG2-CD1 4.37Å; V94-F96 HydrophobicContact CG2-CD2 4.36Å; V94-F96 HydrophobicContact CG2-CE1 3.77Å; V94-F96 HydrophobicContact CG2-CE2 3.78Å; V94-F96 HydrophobicContact CG2-CZ 3.45Å; V94-F96 VanDerWaalsContact CG2-CZ 3.45Å; V94-Q102 CarbonylContact C-O 3.51Å; V94-Q102 WeakPolarHBondContact CA-O 3.34Å; V94-F103 HydrophobicContact CB-CB 4.12Å; V94-F103 HydrophobicContact CG2-CB 4.07Å; V94-Y131 HydrophobicContact CB-CD1 4.41Å; V94-Y131 HydrophobicContact CG1-CD1 3.54Å; V94-Y131 HydrophobicContact CG1-CE1 3.55Å; V94-Y131 HydrophobicContact CG1-CG 4.49Å; V94-I140 HydrophobicContact CG2-CD1 4.48Å
95E95.5Very high91.5Very high74 Ų7462.7 Ų62.735%0.34632%0.316SS..EExtended strand (participates in β ladder)trans-134.9121.4175.4-175.6-174.7156.300109.1K97 F101 Q102E95-K97 WeakPolarHBondContact OE1-CE 3.34Å; E95-K97 IonicContact OE1-NZ 3.27Å; E95-K97 PolarHBondContact OE1-NZ 2.95Å; E95-F101 CarbonylContact O-C 3.54Å; E95-F101 VanDerWaalsContact O-CA 3.26Å; E95-F101 WeakPolarHBondContact O-CA 3.41Å; E95-Q102 HydrophobicContact CB-CG 3.88Å; E95-Q102 PolarHBondContact N-O 2.82Å; E95-Q102 PolarHBondContact O-N 2.79Å; E95-Q102 PolarHBondContact OE2-NE2 2.84Å
96F96.2Very high91.7Very high39 Ų3961.9 Ų61.917%0.17131%0.311CS..EExtended strand (participates in β ladder)trans-101.5137.4177.4-60.9-66.9000110.6V94 F101 P126 C129 I140 L142V94-F96 HydrophobicContact CG1-CE2 3.98Å; V94-F96 HydrophobicContact CG1-CZ 4.33Å; V94-F96 HydrophobicContact CG2-CD1 4.37Å; V94-F96 HydrophobicContact CG2-CD2 4.36Å; V94-F96 HydrophobicContact CG2-CE1 3.77Å; V94-F96 HydrophobicContact CG2-CE2 3.78Å; V94-F96 HydrophobicContact CG2-CZ 3.45Å; V94-F96 VanDerWaalsContact CG2-CZ 3.45Å; F96-F101 HydrophobicContact CD1-CB 3.77Å; F96-F101 HydrophobicContact CE1-CB 4.31Å; F96-P126 HydrophobicContact CB-CB 3.9Å; F96-C129 HydrophobicContact CB-CB 4.07Å; F96-C129 HydrophobicContact CD1-CB 3.56Å; F96-C129 HydrophobicContact CD2-CB 3.6Å; F96-C129 HydrophobicContact CE1-CB 3.8Å; F96-C129 HydrophobicContact CE2-CB 3.84Å; F96-C129 HydrophobicContact CG-CB 3.45Å; F96-C129 VanDerWaalsContact CG-CB 3.45Å; F96-C129 HydrophobicContact CZ-CB 3.93Å; F96-I140 HydrophobicContact CE1-CG2 3.65Å; F96-I140 HydrophobicContact CZ-CG2 4.19Å; F96-L142 HydrophobicContact CD1-CD2 3.81Å; F96-L142 HydrophobicContact CE1-CD2 3.81Å
97K94.7Very high91.5Very high105 Ų10561.9 Ų61.946%0.45730%0.304SS..EExtended strand (participates in β ladder)trans-127.3163.9173.4-60.5-178.2-178.5176.80108.8E95 T99 G100 V124 P126E95-K97 WeakPolarHBondContact OE1-CE 3.34Å; E95-K97 IonicContact OE1-NZ 3.27Å; E95-K97 PolarHBondContact OE1-NZ 2.95Å; K97-T99 VanDerWaalsContact C-N 3.25Å; K97-T99 PolarHBondContact O-N 3.47Å; K97-G100 CarbonylContact C-O 3.47Å; K97-G100 WeakPolarHBondContact CA-O 3.26Å; K97-G100 WeakPolarHBondContact CB-O 3.02Å; K97-G100 PolarHBondContact N-O 2.97Å; K97-G100 PolarHBondContact O-N 3.16Å; K97-V124 WeakPolarHBondContact O-CG2 3.2Å; K97-P126 VanDerWaalsContact C-CG 3.49Å
98E93.9Very high91.3Very high89 Ų8961.6 Ų61.642%0.41630%0.303SS..THydrogen-bonded Turntrans-60.7-36-178.7-179.4169.8-170.900112.4P123 V124 K145E98-P123 HydrophobicContact CG-CB 3.68Å; E98-P123 CarbonylContact O-C 3.39Å; E98-P123 VanDerWaalsContact O-CA 3.22Å; E98-P123 WeakPolarHBondContact O-CA 3.23Å; E98-V124 WeakPolarHBondContact O-CG2 3.5Å; E98-V124 PolarHBondContact O-N 2.8Å; E98-K145 IonicContact OE1-NZ 2.65Å; E98-K145 PolarHBondContact OE1-NZ 2.91Å
99T93.5Very high90.8Very high79 Ų7957.7 Ų57.749%0.48530%0.295SS..THydrogen-bonded Turntrans-116.814.9-17761.40000113.1K97 G118 S119 L120K97-T99 VanDerWaalsContact C-N 3.25Å; K97-T99 PolarHBondContact O-N 3.47Å; T99-G118 CarbonylContact O-C 3.56Å; T99-S119 CarbonylContact O-C 3.54Å; T99-S119 VanDerWaalsContact O-CA 3.3Å; T99-S119 WeakPolarHBondContact O-CA 3.3Å; T99-S119 PolarHBondContact O-N 2.89Å; T99-L120 PolarHBondContact O-N 2.89Å
100G93.4Very high90.4Very high3 Ų354 Ų543%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-171.8170.2-173.300000113.2K97 V117K97-G100 CarbonylContact C-O 3.47Å; K97-G100 WeakPolarHBondContact CA-O 3.26Å; K97-G100 WeakPolarHBondContact CB-O 3.02Å; K97-G100 PolarHBondContact N-O 2.97Å; K97-G100 PolarHBondContact O-N 3.16Å; G100-V117 CarbonylContact C-O 3.59Å; G100-V117 WeakPolarHBondContact CA-O 3.3Å
101F95.3Very high90.3Very high5 Ų554.8 Ų54.82%0.02228%0.284CS..EExtended strand (participates in β ladder)trans-154.6159.4170.574.6-80.2000109.7I77 F79 E95 F96 F103 F115 V117 L120 I140 L142I77-F101 HydrophobicContact CD1-CD1 4.46Å; I77-F101 HydrophobicContact CD1-CE1 3.34Å; I77-F101 HydrophobicContact CD1-CE2 4.41Å; I77-F101 HydrophobicContact CD1-CZ 3.3Å; F79-F101 HydrophobicContact CZ-CE2 4.43Å; F79-F101 HydrophobicContact CZ-CZ 4.27Å; E95-F101 CarbonylContact O-C 3.54Å; E95-F101 VanDerWaalsContact O-CA 3.26Å; E95-F101 WeakPolarHBondContact O-CA 3.41Å; F96-F101 HydrophobicContact CD1-CB 3.77Å; F96-F101 HydrophobicContact CE1-CB 4.31Å; F101-F103 HydrophobicContact CE2-CD1 4.17Å; F101-F115 HydrophobicContact CE1-CE1 4.26Å; F101-F115 AromaticContact CE2-CD1 3.82Å; F101-F115 HydrophobicContact CE2-CD1 3.82Å; F101-F115 HydrophobicContact CE2-CE1 4.04Å; F101-F115 AromaticContact CZ-CD1 3.81Å; F101-F115 HydrophobicContact CZ-CD1 3.81Å; F101-F115 AromaticContact CZ-CE1 3.52Å; F101-F115 HydrophobicContact CZ-CE1 3.52Å; F101-V117 HydrophobicContact CD1-CB 4.13Å; F101-V117 HydrophobicContact CE1-CB 3.95Å; F101-V117 HydrophobicContact CE1-CG2 3.94Å; F101-V117 HydrophobicContact CZ-CG2 4.35Å; F101-V117 PolarHBondContact N-O 2.77Å; F101-V117 PolarHBondContact O-N 2.9Å; F101-L120 HydrophobicContact CD1-CD2 4.28Å; F101-L120 HydrophobicContact CE1-CD2 4.29Å; F101-I140 HydrophobicContact CD2-CG2 4.13Å; F101-I140 HydrophobicContact CE2-CB 4.41Å; F101-I140 HydrophobicContact CE2-CG1 4.08Å; F101-I140 HydrophobicContact CE2-CG2 4.03Å; F101-I140 HydrophobicContact CZ-CG2 4.5Å; F101-L142 HydrophobicContact CB-CD2 4.35Å; F101-L142 HydrophobicContact CD1-CD1 3.91Å; F101-L142 HydrophobicContact CD1-CD2 4.1Å; F101-L142 HydrophobicContact CE1-CD1 3.96Å; F101-L142 HydrophobicContact CG-CD2 4.2Å
102Q94.7Very high90.4Very high83 Ų8353 Ų5339%0.38828%0.275SS..EExtended strand (participates in β ladder)trans-142.5150.7171.360.9-178.48.700110.3V94 E95 F115V94-Q102 CarbonylContact C-O 3.51Å; V94-Q102 WeakPolarHBondContact CA-O 3.34Å; E95-Q102 HydrophobicContact CB-CG 3.88Å; E95-Q102 PolarHBondContact N-O 2.82Å; E95-Q102 PolarHBondContact O-N 2.79Å; E95-Q102 PolarHBondContact OE2-NE2 2.84Å; Q102-F115 CarbonylContact C-O 3.55Å; Q102-F115 VanDerWaalsContact CA-O 3.23Å; Q102-F115 WeakPolarHBondContact CA-O 3.18Å
103F94.6Very high90.4Very high5 Ų552.8 Ų52.82%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-140.6155.7166.574.9-92.4000111.6L63 F79 M92 K93 V94 F101 I105 S114 F115 I140L63-F103 HydrophobicContact CD1-CE2 3.72Å; L63-F103 HydrophobicContact CD1-CZ 3.5Å; L63-F103 VanDerWaalsContact CD1-CZ 3.5Å; F79-F103 HydrophobicContact CB-CZ 4.26Å; F79-F103 HydrophobicContact CD1-CE1 4.09Å; F79-F103 AromaticContact CD1-CZ 3.9Å; F79-F103 HydrophobicContact CD1-CZ 3.9Å; F79-F103 AromaticContact CD2-CE1 3.66Å; F79-F103 HydrophobicContact CD2-CE1 3.66Å; F79-F103 AromaticContact CD2-CZ 3.81Å; F79-F103 HydrophobicContact CD2-CZ 3.81Å; F79-F103 AromaticContact CE1-CE1 3.94Å; F79-F103 HydrophobicContact CE1-CE1 3.94Å; F79-F103 HydrophobicContact CE1-CZ 4.2Å; F79-F103 HydrophobicContact CE2-CD1 4.49Å; F79-F103 AromaticContact CE2-CE1 3.5Å; F79-F103 HydrophobicContact CE2-CE1 3.5Å; F79-F103 VanDerWaalsContact CE2-CE1 3.5Å; F79-F103 HydrophobicContact CE2-CZ 4.12Å; F79-F103 AromaticContact CG-CE1 3.96Å; F79-F103 HydrophobicContact CG-CE1 3.96Å; F79-F103 AromaticContact CG-CZ 3.7Å; F79-F103 HydrophobicContact CG-CZ 3.7Å; F79-F103 AromaticContact CZ-CE1 3.65Å; F79-F103 HydrophobicContact CZ-CE1 3.65Å; F79-F103 HydrophobicContact CZ-CZ 4.3Å; M92-F103 HydrophobicContact CE-CB 3.96Å; M92-F103 HydrophobicContact CE-CD2 4.1Å; M92-F103 HydrophobicContact CE-CG 4.07Å; K93-F103 CarbonylContact O-C 3.54Å; K93-F103 WeakPolarHBondContact O-CA 3.32Å; K93-F103 WeakPolarHBondContact O-CB 3.4Å; V94-F103 HydrophobicContact CB-CB 4.12Å; V94-F103 HydrophobicContact CG2-CB 4.07Å; F101-F103 HydrophobicContact CE2-CD1 4.17Å; F103-I105 HydrophobicContact CD2-CD1 4.43Å; F103-I105 HydrophobicContact CD2-CG1 4.02Å; F103-I105 HydrophobicContact CE2-CD1 4Å; F103-I105 HydrophobicContact CE2-CG1 4.05Å; F103-S114 WeakPolarHBondContact O-CA 3.48Å; F103-F115 HydrophobicContact CD1-CB 3.91Å; F103-F115 HydrophobicContact CD1-CD1 4.44Å; F103-F115 HydrophobicContact CE1-CB 3.4Å; F103-F115 VanDerWaalsContact CE1-CB 3.4Å; F103-F115 HydrophobicContact CE1-CD1 4.03Å; F103-F115 HydrophobicContact CE1-CG 4.01Å; F103-F115 HydrophobicContact CE2-CB 4.44Å; F103-F115 HydrophobicContact CZ-CB 3.71Å; F103-F115 PolarHBondContact N-O 2.83Å; F103-F115 PolarHBondContact O-N 2.98Å; F103-I140 HydrophobicContact CD1-CD1 4.19Å; F103-I140 HydrophobicContact CD1-CG1 4.28Å; F103-I140 HydrophobicContact CE1-CG1 4.36Å
104E93.3Very high90.4Very high56 Ų5647.5 Ų47.526%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-135.1133.5177.7-171.5-175.1-175.900108.4M92 K93 K106 Y113M92-E104 WeakPolarHBondContact CA-O 3.41Å; K93-E104 PolarHBondContact N-O 2.83Å; K93-E104 PolarHBondContact O-N 2.82Å; E104-K106 HydrophobicContact CG-CG 4.14Å; E104-K106 WeakPolarHBondContact OE1-CE 3.36Å; E104-K106 IonicContact OE1-NZ 3Å; E104-K106 WeakPolarHBondContact OE2-CE 3.19Å; E104-K106 IonicContact OE2-NZ 3.33Å; E104-Y113 CarbonylContact C-O 3.44Å; E104-Y113 WeakPolarHBondContact CA-O 3.24Å
105I91.8Very high90.4Very high0 Ų046.5 Ų46.50%025%0.246CC..EExtended strand (participates in β ladder)trans-114.5121.4170.8-47.9171.7000106.9I81 I87 N91 M92 F103 L108 N112 Y113 V138I81-I105 HydrophobicContact CD1-CD1 4.25Å; I81-I105 HydrophobicContact CG1-CD1 4.23Å; I87-I105 HydrophobicContact CD1-CD1 4.37Å; I87-I105 HydrophobicContact CG2-CD1 4.37Å; I87-I105 HydrophobicContact CG2-CG2 4.11Å; N91-I105 CarbonylContact O-C 3.59Å; N91-I105 WeakPolarHBondContact O-CA 3.35Å; M92-I105 HydrophobicContact CG-CG1 4.42Å; M92-I105 HydrophobicContact SD-CG1 4.23Å; F103-I105 HydrophobicContact CD2-CD1 4.43Å; F103-I105 HydrophobicContact CD2-CG1 4.02Å; F103-I105 HydrophobicContact CE2-CD1 4Å; F103-I105 HydrophobicContact CE2-CG1 4.05Å; I105-L108 HydrophobicContact CG2-CB 4.03Å; I105-L108 HydrophobicContact CG2-CD2 4.04Å; I105-N112 CarbonylContact O-C 3.52Å; I105-N112 VanDerWaalsContact O-CA 3.27Å; I105-N112 WeakPolarHBondContact O-CA 3.48Å; I105-Y113 PolarHBondContact N-O 3.48Å; I105-Y113 PolarHBondContact O-N 3.45Å; I105-V138 HydrophobicContact CD1-CG2 3.77Å
106K89.3Confident90.3Very high80 Ų8047 Ų4735%0.34826%0.258SS..EExtended strand (participates in β ladder)trans-100.8148.9-177.6-64.4-177.2177.2179.40111.3N91 E104 L108 N112N91-K106 WeakPolarHBondContact CB-O 3.38Å; N91-K106 PolarHBondContact O-N 2.74Å; E104-K106 HydrophobicContact CG-CG 4.14Å; E104-K106 WeakPolarHBondContact OE1-CE 3.36Å; E104-K106 IonicContact OE1-NZ 3Å; E104-K106 WeakPolarHBondContact OE2-CE 3.19Å; E104-K106 IonicContact OE2-NZ 3.33Å; K106-L108 PolarHBondContact O-N 3.35Å; K106-L108 VanDerWaalsContact O-N 3.1Å; K106-N112 WeakPolarHBondContact CA-OD1 3.31Å
107H81.7Confident90Very high86 Ų8645.9 Ų45.940%0.39825%0.254SS..EExtended strand (participates in β ladder)trans57.926.2168.7-56.3-59.7000115.5K111 N112H107-K111 PolarHBondContact N-O 3.24Å; H107-N112 PolarHBondContact N-OD1 2.78Å
108L83.2Confident89.8Confident2 Ų243.9 Ų43.91%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-89.1113.2177.7-173.970.5000109.5I81 T83 E85 I87 I105 K106 G110 K111 Y113I81-L108 HydrophobicContact CB-CD2 4.49Å; I81-L108 HydrophobicContact CG2-CD2 3.65Å; T83-L108 HydrophobicContact CG2-CD1 4.12Å; T83-L108 HydrophobicContact CG2-CD2 3.7Å; T83-L108 HydrophobicContact CG2-CG 3.9Å; E85-L108 HydrophobicContact CB-CD1 4Å; I87-L108 HydrophobicContact CD1-CD2 4.45Å; I87-L108 HydrophobicContact CG1-CD1 4.14Å; I87-L108 HydrophobicContact CG1-CD2 3.9Å; I105-L108 HydrophobicContact CG2-CB 4.03Å; I105-L108 HydrophobicContact CG2-CD2 4.04Å; K106-L108 PolarHBondContact O-N 3.35Å; K106-L108 VanDerWaalsContact O-N 3.1Å; L108-G110 PolarHBondContact O-N 3.29Å; L108-K111 PolarHBondContact N-O 3.29Å; L108-K111 PolarHBondContact O-N 3.07Å; L108-K111 VanDerWaalsContact O-O 3.08Å; L108-Y113 HydrophobicContact CB-CD2 4.25Å; L108-Y113 HydrophobicContact CB-CE2 4.23Å; L108-Y113 HydrophobicContact CD2-CD2 4.01Å; L108-Y113 HydrophobicContact CD2-CE2 4.05Å; L108-Y113 HydrophobicContact CG-CE2 4.4Å
109G76.2Confident89.6Confident38 Ų3842.3 Ų42.339%0.39226%0.262SS..THydrogen-bonded Turntrans60.529-175.800000113.2E85 K111E85-G109 WeakPolarHBondContact OE1-CA 3.39Å; E85-G109 WeakPolarHBondContact OE2-CA 3.37Å; E85-G109 PolarHBondContact OE2-N 3.29Å; G109-K111 PolarHBondContact O-N 3.17Å
110G78.5Confident89.6Confident55 Ų5538.9 Ų38.957%0.56724%0.24SC*.THydrogen-bonded Turntrans69.516.4-173.800000114.6V58 L108V58-G110 VanDerWaalsContact CG1-O 3.28Å; V58-G110 WeakPolarHBondContact CG1-O 3.28Å; L108-G110 PolarHBondContact O-N 3.29Å
111K85.4Confident89.6Confident110 Ų11040 Ų4048%0.47825%0.246SC..EExtended strand (participates in β ladder)trans-126.4158.5176.1-67.1178.6-173.8171.60110.8H107 L108 G109 Y113H107-K111 PolarHBondContact N-O 3.24Å; L108-K111 PolarHBondContact N-O 3.29Å; L108-K111 PolarHBondContact O-N 3.07Å; L108-K111 VanDerWaalsContact O-O 3.08Å; G109-K111 PolarHBondContact O-N 3.17Å; K111-Y113 HydrophobicContact CB-CE2 4Å
112N89.3Confident89.5Confident11 Ų1143.1 Ų43.16%0.05926%0.26CS..EExtended strand (participates in β ladder)trans-106.5140.7170.9-67.8-11.3000107.4V58 G59 T60 T61 I105 K106 H107V58-N112 HydrophobicContact CG1-CB 4.12Å; V58-N112 VanDerWaalsContact CG1-CG 3.47Å; V58-N112 VanDerWaalsContact CG1-N 3.27Å; V58-N112 WeakPolarHBondContact CG1-OD1 3.3Å; G59-N112 PolarHBondContact O-N 3.01Å; G59-N112 VanDerWaalsContact O-N 3.12Å; T60-N112 CarbonylContact C-O 3.48Å; T60-N112 WeakPolarHBondContact CA-O 3.13Å; T60-N112 HydrophobicContact CG2-CB 4.15Å; T60-N112 WeakPolarHBondContact OG1-CB 3.38Å; T61-N112 PolarHBondContact N-O 3.34Å; I105-N112 CarbonylContact O-C 3.52Å; I105-N112 VanDerWaalsContact O-CA 3.27Å; I105-N112 WeakPolarHBondContact O-CA 3.48Å; K106-N112 WeakPolarHBondContact CA-OD1 3.31Å; H107-N112 PolarHBondContact N-OD1 2.78Å
113Y91.5Very high89.4Confident12 Ų1241 Ų415%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-117.7137.6175.1-64.1-89.2000108.8T61 L63 I81 P82 E104 I105 L108 K111T61-Y113 HydrophobicContact CG2-CD1 4.3Å; T61-Y113 HydrophobicContact CG2-CE1 4.32Å; T61-Y113 WeakPolarHBondContact O-CA 3.33Å; L63-Y113 HydrophobicContact CD2-CD1 3.7Å; L63-Y113 HydrophobicContact CD2-CE1 4.48Å; L63-Y113 HydrophobicContact CD2-CG 4.42Å; L63-Y113 HydrophobicContact CG-CD1 4.33Å; I81-Y113 HydrophobicContact CG2-CD1 4.14Å; I81-Y113 HydrophobicContact CG2-CD2 3.94Å; I81-Y113 HydrophobicContact CG2-CE1 4.02Å; I81-Y113 HydrophobicContact CG2-CE2 3.85Å; I81-Y113 HydrophobicContact CG2-CG 4.08Å; P82-Y113 HydrophobicContact CG-CE1 4.4Å; E104-Y113 CarbonylContact C-O 3.44Å; E104-Y113 WeakPolarHBondContact CA-O 3.24Å; I105-Y113 PolarHBondContact N-O 3.48Å; I105-Y113 PolarHBondContact O-N 3.45Å; L108-Y113 HydrophobicContact CB-CD2 4.25Å; L108-Y113 HydrophobicContact CB-CE2 4.23Å; L108-Y113 HydrophobicContact CD2-CD2 4.01Å; L108-Y113 HydrophobicContact CD2-CE2 4.05Å; L108-Y113 HydrophobicContact CG-CE2 4.4Å; K111-Y113 HydrophobicContact CB-CE2 4Å
114S92.6Very high89.5Confident27 Ų2740.9 Ų40.919%0.18925%0.253CS..EExtended strand (participates in β ladder)trans-138.4148.4178.362.30000111.7T60 T61 K62 L63 F103T60-S114 WeakPolarHBondContact CG2-OG 3.37Å; T61-S114 PolarHBondContact O-N 2.83Å; K62-S114 CarbonylContact C-O 3.6Å; K62-S114 WeakPolarHBondContact CA-O 3.46Å; L63-S114 PolarHBondContact N-O 2.81Å; F103-S114 WeakPolarHBondContact O-CA 3.48Å
115F93.7Very high89.6Confident18 Ų1840.6 Ų40.68%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-143.9141.6172.2-173.7-99.8000109.9L63 Y66 F79 F101 Q102 F103 V117L63-F115 HydrophobicContact CB-CB 4.35Å; L63-F115 HydrophobicContact CB-CD2 4.22Å; L63-F115 HydrophobicContact CD1-CB 4.46Å; L63-F115 VanDerWaalsContact O-CD2 3.3Å; L63-F115 WeakPolarHBondContact O-CD2 3.22Å; Y66-F115 AromaticContact CD1-CE2 3.57Å; Y66-F115 HydrophobicContact CD1-CE2 3.57Å; Y66-F115 AromaticContact CD1-CZ 3.78Å; Y66-F115 HydrophobicContact CD1-CZ 3.78Å; Y66-F115 AromaticContact CE1-CE2 3.66Å; Y66-F115 HydrophobicContact CE1-CE2 3.66Å; Y66-F115 AromaticContact CE1-CZ 3.69Å; Y66-F115 HydrophobicContact CE1-CZ 3.69Å; Y66-F115 HydrophobicContact CG-CE2 4.44Å; Y66-F115 HydrophobicContact CG-CZ 4.35Å; F79-F115 HydrophobicContact CD1-CD2 4.44Å; F79-F115 HydrophobicContact CD1-CG 4.41Å; F79-F115 HydrophobicContact CE1-CB 4.12Å; F79-F115 AromaticContact CE1-CD1 3.59Å; F79-F115 HydrophobicContact CE1-CD1 3.59Å; F79-F115 AromaticContact CE1-CD2 3.53Å; F79-F115 HydrophobicContact CE1-CD2 3.53Å; F79-F115 AromaticContact CE1-CE1 3.76Å; F79-F115 HydrophobicContact CE1-CE1 3.76Å; F79-F115 AromaticContact CE1-CE2 3.72Å; F79-F115 HydrophobicContact CE1-CE2 3.72Å; F79-F115 AromaticContact CE1-CG 3.45Å; F79-F115 HydrophobicContact CE1-CG 3.45Å; F79-F115 VanDerWaalsContact CE1-CG 3.45Å; F79-F115 AromaticContact CE1-CZ 3.82Å; F79-F115 HydrophobicContact CE1-CZ 3.82Å; F79-F115 HydrophobicContact CE2-CD1 4.47Å; F79-F115 HydrophobicContact CZ-CB 4.49Å; F79-F115 AromaticContact CZ-CD1 3.38Å; F79-F115 HydrophobicContact CZ-CD1 3.38Å; F79-F115 HydrophobicContact CZ-CD2 4.2Å; F79-F115 AromaticContact CZ-CE1 3.45Å; F79-F115 HydrophobicContact CZ-CE1 3.45Å; F79-F115 VanDerWaalsContact CZ-CE1 3.45Å; F79-F115 HydrophobicContact CZ-CE2 4.28Å; F79-F115 AromaticContact CZ-CG 3.77Å; F79-F115 HydrophobicContact CZ-CG 3.77Å; F79-F115 AromaticContact CZ-CZ 3.91Å; F79-F115 HydrophobicContact CZ-CZ 3.91Å; F101-F115 HydrophobicContact CE1-CE1 4.26Å; F101-F115 AromaticContact CE2-CD1 3.82Å; F101-F115 HydrophobicContact CE2-CD1 3.82Å; F101-F115 HydrophobicContact CE2-CE1 4.04Å; F101-F115 AromaticContact CZ-CD1 3.81Å; F101-F115 HydrophobicContact CZ-CD1 3.81Å; F101-F115 AromaticContact CZ-CE1 3.52Å; F101-F115 HydrophobicContact CZ-CE1 3.52Å; Q102-F115 CarbonylContact C-O 3.55Å; Q102-F115 VanDerWaalsContact CA-O 3.23Å; Q102-F115 WeakPolarHBondContact CA-O 3.18Å; F103-F115 HydrophobicContact CD1-CB 3.91Å; F103-F115 HydrophobicContact CD1-CD1 4.44Å; F103-F115 HydrophobicContact CE1-CB 3.4Å; F103-F115 VanDerWaalsContact CE1-CB 3.4Å; F103-F115 HydrophobicContact CE1-CD1 4.03Å; F103-F115 HydrophobicContact CE1-CG 4.01Å; F103-F115 HydrophobicContact CE2-CB 4.44Å; F103-F115 HydrophobicContact CZ-CB 3.71Å; F103-F115 PolarHBondContact N-O 2.83Å; F103-F115 PolarHBondContact O-N 2.98Å; F115-V117 HydrophobicContact CD1-CG2 4.35Å; F115-V117 HydrophobicContact CE1-CG2 3.34Å; F115-V117 HydrophobicContact CZ-CG2 3.63Å
116S92.5Very high89.8Confident85 Ų8542.9 Ų42.959%0.59427%0.27SS*.EExtended strand (participates in β ladder)trans-147.4131.6-179.963.20000111.3
117V91.5Very high90.1Very high15 Ų1542.6 Ų42.69%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-120.1116170.9171.80000108.6G100 F101 F115 L120 T155G100-V117 CarbonylContact C-O 3.59Å; G100-V117 WeakPolarHBondContact CA-O 3.3Å; F101-V117 HydrophobicContact CD1-CB 4.13Å; F101-V117 HydrophobicContact CE1-CB 3.95Å; F101-V117 HydrophobicContact CE1-CG2 3.94Å; F101-V117 HydrophobicContact CZ-CG2 4.35Å; F101-V117 PolarHBondContact N-O 2.77Å; F101-V117 PolarHBondContact O-N 2.9Å; F115-V117 HydrophobicContact CD1-CG2 4.35Å; F115-V117 HydrophobicContact CE1-CG2 3.34Å; F115-V117 HydrophobicContact CZ-CG2 3.63Å; V117-L120 HydrophobicContact CG1-CD2 3.7Å; V117-L120 HydrophobicContact CG1-CG 4.04Å; V117-T155 HydrophobicContact CG1-CG2 3.69Å; V117-T155 HydrophobicContact CG2-CG2 4.48Å
118G89Confident90.8Very high62 Ų6243 Ų4364%0.63930%0.295SS*.SBendtrans-88.6-16.518000000115.1T99T99-G118 CarbonylContact O-C 3.56Å
119S91Very high91.4Very high57 Ų5743.5 Ų43.540%0.39930%0.299SS..  trans-148.184-175.1-54.50000112.3T99 T155 T156T99-S119 CarbonylContact O-C 3.54Å; T99-S119 VanDerWaalsContact O-CA 3.3Å; T99-S119 WeakPolarHBondContact O-CA 3.3Å; T99-S119 PolarHBondContact O-N 2.89Å; S119-T155 VanDerWaalsContact O-CA 3.27Å; S119-T155 WeakPolarHBondContact O-CA 3.29Å; S119-T155 VanDerWaalsContact O-CB 3.23Å; S119-T155 WeakPolarHBondContact O-CB 3.42Å; S119-T156 WeakPolarHBondContact CB-OG1 3.46Å; S119-T156 PolarHBondContact O-N 2.89Å; S119-T156 VanDerWaalsContact O-N 3.09Å
120L93.7Very high92.4Very high6 Ų645.5 Ų45.53%0.03130%0.295CS..BIsolated β-bridgetrans-62.8151.7169.1-66.1169.9000110.8T99 F101 V117 H122 V124 L142 W151 L154T99-L120 PolarHBondContact O-N 2.89Å; F101-L120 HydrophobicContact CD1-CD2 4.28Å; F101-L120 HydrophobicContact CE1-CD2 4.29Å; V117-L120 HydrophobicContact CG1-CD2 3.7Å; V117-L120 HydrophobicContact CG1-CG 4.04Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 2.65Å; L120-V124 HydrophobicContact CD1-CG1 3.88Å; L120-V124 HydrophobicContact CD1-CG2 4.05Å; L120-L142 HydrophobicContact CD1-CD1 3.99Å; L120-L142 HydrophobicContact CD2-CD1 3.95Å; L120-W151 HydrophobicContact CB-CH2 3.88Å; L120-W151 HydrophobicContact CB-CZ3 4.04Å; L120-W151 HydrophobicContact CD1-CH2 4.31Å; L120-W151 HydrophobicContact CD2-CH2 4.27Å; L120-W151 HydrophobicContact CD2-CZ3 4.01Å; L120-W151 HydrophobicContact CG-CH2 4.38Å; L120-L154 WeakPolarHBondContact CA-O 3.41Å; L120-L154 HydrophobicContact CD2-CD1 4.32Å
121L92Very high93.2Very high27 Ų2745.4 Ų45.414%0.14128%0.278CS..SBendtrans-61-42.1-179.5-178.865.2000112.5W151 H153 L154 T156 L159L121-W151 HydrophobicContact CB-CD2 4.5Å; L121-W151 HydrophobicContact CB-CE3 4.08Å; L121-W151 HydrophobicContact CB-CZ3 4.41Å; L121-W151 HydrophobicContact CD2-CB 4.27Å; L121-H153 WeakPolarHBondContact CB-O 3.23Å; L121-H153 HydrophobicContact CD2-CB 4.27Å; L121-H153 WeakPolarHBondContact CD2-O 3.31Å; L121-L154 PolarHBondContact N-O 2.96Å; L121-T156 HydrophobicContact CD1-CG2 4.5Å; L121-L159 HydrophobicContact CD1-CB 4.38Å; L121-L159 HydrophobicContact CD1-CD2 3.76Å
122H93.5Very high93.7Very high70 Ų7047.4 Ų47.432%0.32428%0.282SS..SBendtrans-131.1158177.5-63-66.8000110.7L120 W151L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 2.65Å; H122-W151 HydrophobicContact CB-CH2 4.49Å; H122-W151 HydrophobicContact CB-CZ2 3.67Å; H122-W151 AromaticContact CD2-CD1 3.55Å; H122-W151 AromaticContact CD2-CE2 3.98Å; H122-W151 AromaticContact CD2-CG 3.89Å; H122-W151 AromaticContact CD2-NE1 3.59Å; H122-W151 AromaticContact CG-NE1 3.99Å; H122-W151 WeakPolarHBondContact O-CH2 3.27Å; H122-W151 VanDerWaalsContact O-CZ2 3.27Å; H122-W151 WeakPolarHBondContact O-CZ2 3.06Å
123P94Very high93.9Very high40 Ų4049.3 Ų49.326%0.2629%0.292SS..  trans-69150.2179.328.1-35.3000112.5E98 K145E98-P123 HydrophobicContact CG-CB 3.68Å; E98-P123 CarbonylContact O-C 3.39Å; E98-P123 VanDerWaalsContact O-CA 3.22Å; E98-P123 WeakPolarHBondContact O-CA 3.23Å; P123-K145 HydrophobicContact CB-CB 4.28Å; P123-K145 HydrophobicContact CB-CD 3.85Å; P123-K145 HydrophobicContact CG-CB 4.14Å; P123-K145 HydrophobicContact CG-CD 3.8Å; P123-K145 VanDerWaalsContact O-CB 3.23Å; P123-K145 WeakPolarHBondContact O-CB 3.34Å; P123-K145 PolarHBondContact O-N 3.45Å; P123-K145 VanDerWaalsContact O-N 3.15Å
124V95.9Very high93.8Very high2 Ų253.9 Ų53.91%0.01231%0.312CS..BIsolated β-bridgetrans-117.5165.3176.5-58.60000110.3K97 E98 L120 P126 L142 R143 W151K97-V124 WeakPolarHBondContact O-CG2 3.2Å; E98-V124 WeakPolarHBondContact O-CG2 3.5Å; E98-V124 PolarHBondContact O-N 2.8Å; L120-V124 HydrophobicContact CD1-CG1 3.88Å; L120-V124 HydrophobicContact CD1-CG2 4.05Å; V124-P126 WeakPolarHBondContact O-CD 3.28Å; V124-L142 HydrophobicContact CG1-CB 3.95Å; V124-R143 CarbonylContact C-O 3.47Å; V124-R143 WeakPolarHBondContact CA-O 3.27Å; V124-R143 WeakPolarHBondContact CB-O 3.21Å; V124-W151 HydrophobicContact CG1-CH2 3.91Å; V124-W151 HydrophobicContact CG1-CZ2 4.02Å
125V95.9Very high93.6Very high49 Ų4958.9 Ų58.930%0.29733%0.331SS..  trans-99.299.6174.6-175.70000108.3G127 D128 C129 R143 K145V125-G127 VanDerWaalsContact C-N 3.26Å; V125-G127 PolarHBondContact O-N 2.86Å; V125-G127 VanDerWaalsContact O-N 3.17Å; V125-D128 HydrophobicContact CB-CB 4.34Å; V125-D128 HydrophobicContact CG1-CB 4.22Å; V125-D128 PolarHBondContact O-N 2.94Å; V125-C129 PolarHBondContact O-N 2.83Å; V125-C129 PolarHBondContact O-SG 3.49Å; V125-R143 HydrophobicContact CB-CB 4.19Å; V125-R143 HydrophobicContact CB-CG 3.8Å; V125-R143 HydrophobicContact CG2-CG 4.08Å; V125-R143 PolarHBondContact N-O 2.95Å; V125-K145 HydrophobicContact CG2-CB 4.18Å; V125-K145 HydrophobicContact CG2-CG 4.31Å
126P95Very high93.4Very high49 Ų4961.9 Ų61.932%0.31835%0.347SS..G310 helixtrans-59.3-33.8-169.6-27.538.3000114.3F96 K97 V124 D128 C129F96-P126 HydrophobicContact CB-CB 3.9Å; K97-P126 VanDerWaalsContact C-CG 3.49Å; V124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-D128 PolarHBondContact O-N 2.81Å; P126-C129 WeakPolarHBondContact O-CB 3.47Å; P126-C129 PolarHBondContact O-N 3.29Å
127G95.6Very high93.4Very high74 Ų7459.7 Ų59.776%0.76333%0.328SS*.G310 helixtrans-68.5-20.618000000114.6V125V125-G127 VanDerWaalsContact C-N 3.26Å; V125-G127 PolarHBondContact O-N 2.86Å; V125-G127 VanDerWaalsContact O-N 3.17Å
128D96.2Very high93.5Very high95 Ų9559 Ų5951%0.50832%0.323SS..G310 helixtrans-106.10.1178.9-72.7-11.9000112V125 P126 R143V125-D128 HydrophobicContact CB-CB 4.34Å; V125-D128 HydrophobicContact CG1-CB 4.22Å; V125-D128 PolarHBondContact O-N 2.94Å; P126-D128 PolarHBondContact O-N 2.81Å; D128-R143 HydrophobicContact CB-CB 3.55Å; D128-R143 HydrophobicContact CB-CG 3.44Å; D128-R143 VanDerWaalsContact CB-CG 3.44Å
129C96.7Very high93.8Very high12 Ų1256.2 Ų56.28%0.08129%0.294CS..  trans-77.5142.9170.8-64.80000109.5F96 V125 P126 F141 L142 R143F96-C129 HydrophobicContact CB-CB 4.07Å; F96-C129 HydrophobicContact CD1-CB 3.56Å; F96-C129 HydrophobicContact CD2-CB 3.6Å; F96-C129 HydrophobicContact CE1-CB 3.8Å; F96-C129 HydrophobicContact CE2-CB 3.84Å; F96-C129 HydrophobicContact CG-CB 3.45Å; F96-C129 VanDerWaalsContact CG-CB 3.45Å; F96-C129 HydrophobicContact CZ-CB 3.93Å; V125-C129 PolarHBondContact O-N 2.83Å; V125-C129 PolarHBondContact O-SG 3.49Å; P126-C129 WeakPolarHBondContact O-CB 3.47Å; P126-C129 PolarHBondContact O-N 3.29Å; C129-F141 VanDerWaalsContact CA-O 3.24Å; C129-F141 WeakPolarHBondContact CA-O 3.27Å; C129-L142 HydrophobicContact CB-CD2 4.47Å; C129-R143 PolarHBondContact SG-N 3.47Å
130Y96.7Very high94.1Very high79 Ų7953.5 Ų53.531%0.3128%0.275SS..EExtended strand (participates in β ladder)trans-150.5176.3178.765.1-86.4000110.5F74 R132 F141F74-Y130 HydrophobicContact CD1-CE1 4.44Å; F74-Y130 HydrophobicContact CE1-CD1 4.44Å; F74-Y130 AromaticContact CE1-CE1 3.81Å; F74-Y130 HydrophobicContact CE1-CE1 3.81Å; F74-Y130 HydrophobicContact CZ-CE1 4.12Å; Y130-R132 HydrophobicContact CD2-CG 4.35Å; Y130-R132 HydrophobicContact CE2-CG 4.14Å; Y130-F141 HydrophobicContact CD1-CB 3.87Å; Y130-F141 HydrophobicContact CD2-CB 4.07Å; Y130-F141 AromaticContact CD2-CD2 3.83Å; Y130-F141 HydrophobicContact CD2-CD2 3.83Å; Y130-F141 HydrophobicContact CD2-CG 4.09Å; Y130-F141 HydrophobicContact CE1-CB 3.61Å; Y130-F141 HydrophobicContact CE1-CD1 4.33Å; Y130-F141 AromaticContact CE1-CG 3.99Å; Y130-F141 HydrophobicContact CE1-CG 3.99Å; Y130-F141 HydrophobicContact CE2-CB 3.81Å; Y130-F141 HydrophobicContact CE2-CD1 4.02Å; Y130-F141 AromaticContact CE2-CD2 3.34Å; Y130-F141 HydrophobicContact CE2-CD2 3.34Å; Y130-F141 HydrophobicContact CE2-CE1 4.43Å; Y130-F141 AromaticContact CE2-CE2 3.84Å; Y130-F141 HydrophobicContact CE2-CE2 3.84Å; Y130-F141 AromaticContact CE2-CG 3.45Å; Y130-F141 HydrophobicContact CE2-CG 3.45Å; Y130-F141 VanDerWaalsContact CE2-CG 3.45Å; Y130-F141 HydrophobicContact CE2-CZ 4.36Å; Y130-F141 HydrophobicContact CG-CB 4.09Å; Y130-F141 AromaticContact CZ-CD1 3.63Å; Y130-F141 AromaticContact CZ-CD2 3.84Å; Y130-F141 AromaticContact CZ-CG 3.4Å; Y130-F141 VanDerWaalsContact CZ-CG 3.4Å; Y130-F141 PolarHBondContact N-O 3.03Å; Y130-F141 WeakPolarHBondContact O-CA 3.22Å; Y130-F141 PolarHBondContact O-N 3.28Å; Y130-F141 VanDerWaalsContact OH-CD1 3.28Å; Y130-F141 WeakPolarHBondContact OH-CD1 3.12Å
131Y96.4Very high94.3Very high54 Ų5454.1 Ų54.121%0.21228%0.278CS..EExtended strand (participates in β ladder)trans-132.4161.3175.366.9-77.1000110.6E89 M92 V94 L133 V139E89-Y131 HydrophobicContact CG-CE2 4.37Å; E89-Y131 VanDerWaalsContact CG-OH 3.22Å; E89-Y131 WeakPolarHBondContact CG-OH 3.45Å; E89-Y131 PolarHBondContact OE1-OH 3.02Å; M92-Y131 HydrophobicContact CE-CD2 3.58Å; M92-Y131 HydrophobicContact CE-CE2 4.03Å; M92-Y131 HydrophobicContact CE-CG 3.86Å; M92-Y131 HydrophobicContact CG-CE2 4.27Å; M92-Y131 HydrophobicContact SD-CD2 3.95Å; M92-Y131 HydrophobicContact SD-CE2 3.98Å; V94-Y131 HydrophobicContact CB-CD1 4.41Å; V94-Y131 HydrophobicContact CG1-CD1 3.54Å; V94-Y131 HydrophobicContact CG1-CE1 3.55Å; V94-Y131 HydrophobicContact CG1-CG 4.49Å; Y131-L133 HydrophobicContact CD2-CD2 3.86Å; Y131-L133 HydrophobicContact CD2-CG 3.98Å; Y131-L133 HydrophobicContact CE2-CD1 4.04Å; Y131-L133 HydrophobicContact CE2-CD2 4.04Å; Y131-L133 HydrophobicContact CE2-CG 3.86Å; Y131-V139 CarbonylContact C-O 3.58Å; Y131-V139 WeakPolarHBondContact CA-O 3.3Å
132R94.9Very high94.5Very high151 Ų15152.8 Ų52.857%0.5727%0.271SS*.EExtended strand (participates in β ladder)trans-131135.9170.4-66.2-174.1-179.3-179.91.8109.2Y130 V139 F141Y130-R132 HydrophobicContact CD2-CG 4.35Å; Y130-R132 HydrophobicContact CE2-CG 4.14Å; R132-V139 PolarHBondContact N-O 3.29Å; R132-V139 PolarHBondContact O-N 3.03Å; R132-F141 HydrophobicContact CB-CE2 4.18Å; R132-F141 HydrophobicContact CG-CD2 4.41Å; R132-F141 HydrophobicContact CG-CE2 3.82Å
133L93.6Very high94.7Very high51 Ų5150.7 Ų50.727%0.26726%0.26SS..EExtended strand (participates in β ladder)trans-99.6136.5174.3-57.3-178.7000109.8I87 E89 M92 Y131 V138I87-L133 HydrophobicContact CG2-CD1 4.12Å; I87-L133 HydrophobicContact CG2-CD2 4.09Å; E89-L133 HydrophobicContact CB-CD1 3.99Å; E89-L133 HydrophobicContact CG-CD1 4.31Å; M92-L133 HydrophobicContact SD-CD2 3.51Å; M92-L133 VanDerWaalsContact SD-CD2 3.51Å; Y131-L133 HydrophobicContact CD2-CD2 3.86Å; Y131-L133 HydrophobicContact CD2-CG 3.98Å; Y131-L133 HydrophobicContact CE2-CD1 4.04Å; Y131-L133 HydrophobicContact CE2-CD2 4.04Å; Y131-L133 HydrophobicContact CE2-CG 3.86Å; L133-V138 HydrophobicContact CD2-CB 4.41Å; L133-V138 HydrophobicContact CD2-CG1 4.17Å; L133-V138 HydrophobicContact CD2-CG2 3.8Å
134K89.3Confident94.9Very high109 Ų10949.1 Ų49.147%0.47425%0.249SC..  trans-118.8179.2161.9-64.4164.7174.5172.30107.4N136 E137K134-N136 VanDerWaalsContact C-N 3.33Å; K134-N136 PolarHBondContact O-N 3.09Å; K134-N136 VanDerWaalsContact O-N 3.16Å; K134-E137 HydrophobicContact CB-CB 4.15Å; K134-E137 HydrophobicContact CD-CB 4.16Å; K134-E137 HydrophobicContact CD-CG 4.33Å; K134-E137 WeakPolarHBondContact CD-OE2 3.3Å; K134-E137 PolarHBondContact N-O 3.35Å; K134-E137 IonicContact NZ-OE1 2.84Å; K134-E137 PolarHBondContact NZ-OE1 3.02Å; K134-E137 IonicContact NZ-OE2 2.77Å; K134-E137 PolarHBondContact NZ-OE2 2.91Å
135K87.8Confident94.8Very high132 Ų13254.2 Ų54.257%0.57427%0.271SS*.SBendtrans-44.5-53.5-175.5-172.2177.6179.5-177.40113.5T86 I87T86-K135 WeakPolarHBondContact CA-O 2.81Å; I87-K135 PolarHBondContact N-O 3.12Å
136N90Very high94.7Very high80 Ų8056.6 Ų56.643%0.42828%0.282SS..SBendtrans-13419.2-175.960-14.5000112.5I81 K134I81-N136 PolarHBondContact N-O 3.01Å; K134-N136 VanDerWaalsContact C-N 3.33Å; K134-N136 PolarHBondContact O-N 3.09Å; K134-N136 VanDerWaalsContact O-N 3.16Å
137E92.2Very high94.5Very high39 Ų3958.9 Ų58.918%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-134.9131.8-173.9-175.6-162.7149.600109.6Y78 F79 K134 V139Y78-E137 WeakPolarHBondContact CD1-OE1 3.23Å; F79-E137 VanDerWaalsContact O-CA 3.3Å; F79-E137 WeakPolarHBondContact O-CA 3.38Å; K134-E137 HydrophobicContact CB-CB 4.15Å; K134-E137 HydrophobicContact CD-CB 4.16Å; K134-E137 HydrophobicContact CD-CG 4.33Å; K134-E137 WeakPolarHBondContact CD-OE2 3.3Å; K134-E137 PolarHBondContact N-O 3.35Å; K134-E137 IonicContact NZ-OE1 2.84Å; K134-E137 PolarHBondContact NZ-OE1 3.02Å; K134-E137 IonicContact NZ-OE2 2.77Å; K134-E137 PolarHBondContact NZ-OE2 2.91Å; E137-V139 HydrophobicContact CG-CG2 4.31Å; E137-V139 VanDerWaalsContact OE1-CG2 3.31Å; E137-V139 WeakPolarHBondContact OE1-CG2 3.22Å
138V94.3Very high94.1Very high0 Ų057.8 Ų57.80%028%0.284CS..EExtended strand (participates in β ladder)trans-108.8126.5172.9179.70000108.7F79 I81 I87 M92 I105 L133 I140F79-V138 HydrophobicContact CB-CB 4.27Å; F79-V138 PolarHBondContact N-O 3.34Å; F79-V138 PolarHBondContact O-N 3.2Å; I81-V138 HydrophobicContact CG1-CG2 4.44Å; I87-V138 HydrophobicContact CD1-CG2 3.64Å; M92-V138 HydrophobicContact CE-CG1 3.54Å; M92-V138 HydrophobicContact SD-CG1 3.93Å; M92-V138 HydrophobicContact SD-CG2 4.22Å; I105-V138 HydrophobicContact CD1-CG2 3.77Å; L133-V138 HydrophobicContact CD2-CB 4.41Å; L133-V138 HydrophobicContact CD2-CG1 4.17Å; L133-V138 HydrophobicContact CD2-CG2 3.8Å; V138-I140 HydrophobicContact CG1-CD1 3.83Å; V138-I140 HydrophobicContact CG1-CG1 4.34Å
139V96.2Very high93.8Very high5 Ų555.4 Ų55.43%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-113.2116.5176-1680000109.3I77 Y78 Y131 R132 E137 F141I77-V139 CarbonylContact O-C 3.48Å; I77-V139 WeakPolarHBondContact O-CA 3.37Å; Y78-V139 HydrophobicContact CD1-CB 4.38Å; Y78-V139 HydrophobicContact CD1-CG1 3.81Å; Y78-V139 HydrophobicContact CD1-CG2 3.79Å; Y78-V139 HydrophobicContact CE1-CG1 3.69Å; Y78-V139 HydrophobicContact CE1-CG2 4.13Å; Y131-V139 CarbonylContact C-O 3.58Å; Y131-V139 WeakPolarHBondContact CA-O 3.3Å; R132-V139 PolarHBondContact N-O 3.29Å; R132-V139 PolarHBondContact O-N 3.03Å; E137-V139 HydrophobicContact CG-CG2 4.31Å; E137-V139 VanDerWaalsContact OE1-CG2 3.31Å; E137-V139 WeakPolarHBondContact OE1-CG2 3.22Å; V139-F141 HydrophobicContact CB-CE2 3.87Å; V139-F141 HydrophobicContact CG1-CD2 4.05Å; V139-F141 HydrophobicContact CG1-CE2 3.41Å; V139-F141 VanDerWaalsContact CG1-CE2 3.41Å; V139-F141 HydrophobicContact CG1-CZ 3.79Å
140I96.8Very high93.6Very high0 Ų059.3 Ų59.30%030%0.297CS..EExtended strand (participates in β ladder)trans-96.7126.9176.2-55.9-59.6000109.1K76 I77 F79 M92 V94 F96 F101 F103 V138 L142K76-I140 CarbonylContact C-O 3.45Å; K76-I140 VanDerWaalsContact CA-O 3.3Å; K76-I140 WeakPolarHBondContact CA-O 3.46Å; I77-I140 HydrophobicContact CB-CB 4.34Å; I77-I140 PolarHBondContact N-O 3.02Å; I77-I140 PolarHBondContact O-N 3.03Å; F79-I140 HydrophobicContact CD2-CG1 4.17Å; F79-I140 HydrophobicContact CE2-CB 4.49Å; F79-I140 HydrophobicContact CE2-CG1 3.76Å; M92-I140 HydrophobicContact CE-CD1 3.9Å; V94-I140 HydrophobicContact CG2-CD1 4.48Å; F96-I140 HydrophobicContact CE1-CG2 3.65Å; F96-I140 HydrophobicContact CZ-CG2 4.19Å; F101-I140 HydrophobicContact CD2-CG2 4.13Å; F101-I140 HydrophobicContact CE2-CB 4.41Å; F101-I140 HydrophobicContact CE2-CG1 4.08Å; F101-I140 HydrophobicContact CE2-CG2 4.03Å; F101-I140 HydrophobicContact CZ-CG2 4.5Å; F103-I140 HydrophobicContact CD1-CD1 4.19Å; F103-I140 HydrophobicContact CD1-CG1 4.28Å; F103-I140 HydrophobicContact CE1-CG1 4.36Å; V138-I140 HydrophobicContact CG1-CD1 3.83Å; V138-I140 HydrophobicContact CG1-CG1 4.34Å; I140-L142 HydrophobicContact CG2-CD2 3.88Å; I140-L142 HydrophobicContact CG2-CG 4.19Å
141F97.4Very high93.4Very high18 Ų1855.8 Ų55.88%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-107.8111.2176.8-68.9-101.9000109.6F74 K76 C129 Y130 R132 V139F74-F141 HydrophobicContact CD1-CB 4.17Å; K76-F141 HydrophobicContact CD-CD1 4.1Å; K76-F141 HydrophobicContact CD-CE1 3.58Å; K76-F141 HydrophobicContact CD-CZ 4.25Å; K76-F141 HydrophobicContact CG-CD1 3.79Å; K76-F141 HydrophobicContact CG-CE1 3.81Å; C129-F141 VanDerWaalsContact CA-O 3.24Å; C129-F141 WeakPolarHBondContact CA-O 3.27Å; Y130-F141 HydrophobicContact CD1-CB 3.87Å; Y130-F141 HydrophobicContact CD2-CB 4.07Å; Y130-F141 AromaticContact CD2-CD2 3.83Å; Y130-F141 HydrophobicContact CD2-CD2 3.83Å; Y130-F141 HydrophobicContact CD2-CG 4.09Å; Y130-F141 HydrophobicContact CE1-CB 3.61Å; Y130-F141 HydrophobicContact CE1-CD1 4.33Å; Y130-F141 AromaticContact CE1-CG 3.99Å; Y130-F141 HydrophobicContact CE1-CG 3.99Å; Y130-F141 HydrophobicContact CE2-CB 3.81Å; Y130-F141 HydrophobicContact CE2-CD1 4.02Å; Y130-F141 AromaticContact CE2-CD2 3.34Å; Y130-F141 HydrophobicContact CE2-CD2 3.34Å; Y130-F141 HydrophobicContact CE2-CE1 4.43Å; Y130-F141 AromaticContact CE2-CE2 3.84Å; Y130-F141 HydrophobicContact CE2-CE2 3.84Å; Y130-F141 AromaticContact CE2-CG 3.45Å; Y130-F141 HydrophobicContact CE2-CG 3.45Å; Y130-F141 VanDerWaalsContact CE2-CG 3.45Å; Y130-F141 HydrophobicContact CE2-CZ 4.36Å; Y130-F141 HydrophobicContact CG-CB 4.09Å; Y130-F141 AromaticContact CZ-CD1 3.63Å; Y130-F141 AromaticContact CZ-CD2 3.84Å; Y130-F141 AromaticContact CZ-CG 3.4Å; Y130-F141 VanDerWaalsContact CZ-CG 3.4Å; Y130-F141 PolarHBondContact N-O 3.03Å; Y130-F141 WeakPolarHBondContact O-CA 3.22Å; Y130-F141 PolarHBondContact O-N 3.28Å; Y130-F141 VanDerWaalsContact OH-CD1 3.28Å; Y130-F141 WeakPolarHBondContact OH-CD1 3.12Å; R132-F141 HydrophobicContact CB-CE2 4.18Å; R132-F141 HydrophobicContact CG-CD2 4.41Å; R132-F141 HydrophobicContact CG-CE2 3.82Å; V139-F141 HydrophobicContact CB-CE2 3.87Å; V139-F141 HydrophobicContact CG1-CD2 4.05Å; V139-F141 HydrophobicContact CG1-CE2 3.41Å; V139-F141 VanDerWaalsContact CG1-CE2 3.41Å; V139-F141 HydrophobicContact CG1-CZ 3.79Å
142L97.1Very high93.1Very high0 Ų059 Ų590%030%0.304CS..EExtended strand (participates in β ladder)trans-99.3116.8177.2-59.4179.2000110.3F74 V75 I77 F96 F101 L120 V124 C129 I140 K144F74-L142 VanDerWaalsContact CA-O 3.3Å; F74-L142 WeakPolarHBondContact CA-O 3.11Å; V75-L142 HydrophobicContact CB-CB 4.27Å; V75-L142 PolarHBondContact N-O 3.35Å; V75-L142 PolarHBondContact O-N 2.85Å; I77-L142 HydrophobicContact CD1-CD1 3.71Å; I77-L142 HydrophobicContact CD1-CG 4.39Å; F96-L142 HydrophobicContact CD1-CD2 3.81Å; F96-L142 HydrophobicContact CE1-CD2 3.81Å; F101-L142 HydrophobicContact CB-CD2 4.35Å; F101-L142 HydrophobicContact CD1-CD1 3.91Å; F101-L142 HydrophobicContact CD1-CD2 4.1Å; F101-L142 HydrophobicContact CE1-CD1 3.96Å; F101-L142 HydrophobicContact CG-CD2 4.2Å; L120-L142 HydrophobicContact CD1-CD1 3.99Å; L120-L142 HydrophobicContact CD2-CD1 3.95Å; V124-L142 HydrophobicContact CG1-CB 3.95Å; C129-L142 HydrophobicContact CB-CD2 4.47Å; I140-L142 HydrophobicContact CG2-CD2 3.88Å; I140-L142 HydrophobicContact CG2-CG 4.19Å; L142-K144 PolarHBondContact O-N 2.85Å
143R97.4Very high93Very high26 Ų2653.1 Ų53.110%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-71.6112.6177176.964.4-104.6-164.7-6.9109.8K73 F74 V124 V125 D128 C129 K145K73-R143 VanDerWaalsContact CA-NH2 3.25Å; K73-R143 VanDerWaalsContact CG-NH1 3.28Å; K73-R143 PolarHBondContact O-NE 2.84Å; K73-R143 PolarHBondContact O-NH2 3.15Å; F74-R143 HydrophobicContact CD1-CB 4.28Å; F74-R143 HydrophobicContact CE1-CB 3.87Å; F74-R143 HydrophobicContact CE1-CG 4.46Å; V124-R143 CarbonylContact C-O 3.47Å; V124-R143 WeakPolarHBondContact CA-O 3.27Å; V124-R143 WeakPolarHBondContact CB-O 3.21Å; V125-R143 HydrophobicContact CB-CB 4.19Å; V125-R143 HydrophobicContact CB-CG 3.8Å; V125-R143 HydrophobicContact CG2-CG 4.08Å; V125-R143 PolarHBondContact N-O 2.95Å; D128-R143 HydrophobicContact CB-CB 3.55Å; D128-R143 HydrophobicContact CB-CG 3.44Å; D128-R143 VanDerWaalsContact CB-CG 3.44Å; C129-R143 PolarHBondContact SG-N 3.47Å; R143-K145 PolarHBondContact O-N 2.82Å
144K96.9Very high92.8Very high6 Ų650.7 Ų50.73%0.02627%0.27CS..BIsolated β-bridgetrans-60.6130.7174.1-65.1178.3174.8-178.90109.8S71 K73 V75 L142 N146 T149S71-K144 WeakPolarHBondContact O-CE 3.46Å; S71-K144 PolarHBondContact O-NZ 2.77Å; K73-K144 WeakPolarHBondContact O-CB 3.09Å; K73-K144 PolarHBondContact O-N 2.88Å; V75-K144 HydrophobicContact CG2-CD 4.44Å; V75-K144 VanDerWaalsContact CG2-CE 3.48Å; V75-K144 HydrophobicContact CG2-CG 4.1Å; L142-K144 PolarHBondContact O-N 2.85Å; K144-N146 VanDerWaalsContact C-N 3.35Å; K144-T149 WeakPolarHBondContact CE-O 3.49Å; K144-T149 PolarHBondContact NZ-O 2.87Å
145K94.9Very high92.8Very high110 Ų11046.3 Ų46.348%0.47825%0.252SS..SBendtrans-64.1-41.8172.6-169.7174.9-173.7177.80111.3E98 P123 V125 R143E98-K145 IonicContact OE1-NZ 2.65Å; E98-K145 PolarHBondContact OE1-NZ 2.91Å; P123-K145 HydrophobicContact CB-CB 4.28Å; P123-K145 HydrophobicContact CB-CD 3.85Å; P123-K145 HydrophobicContact CG-CB 4.14Å; P123-K145 HydrophobicContact CG-CD 3.8Å; P123-K145 VanDerWaalsContact O-CB 3.23Å; P123-K145 WeakPolarHBondContact O-CB 3.34Å; P123-K145 PolarHBondContact O-N 3.45Å; P123-K145 VanDerWaalsContact O-N 3.15Å; V125-K145 HydrophobicContact CG2-CB 4.18Å; V125-K145 HydrophobicContact CG2-CG 4.31Å; R143-K145 PolarHBondContact O-N 2.82Å
146N93.2Very high92.7Very high99 Ų9942 Ų4253%0.52924%0.237SC..SBendtrans-104.5102.7175.6-63.646.5000108.8K144 T149K144-N146 VanDerWaalsContact C-N 3.35Å; N146-T149 WeakPolarHBondContact CB-OG1 3.34Å; N146-T149 PolarHBondContact O-N 2.98Å; N146-T149 PolarHBondContact O-OG1 3.1Å
147T90.4Very high92.3Very high97 Ų9742.9 Ų42.960%0.59525%0.245SC*.THydrogen-bonded Turntrans-60.6138.7174.251.50000110.5T149T147-T149 VanDerWaalsContact C-N 3.3Å; T147-T149 PolarHBondContact O-N 3.48Å
148G88.1Confident91.8Very high51 Ų5143.6 Ų43.653%0.52625%0.248SC..THydrogen-bonded Turntrans85.1-6.6178.900000114.8D72 T150D72-G148 PolarHBondContact O-N 3.35Å; G148-T150 PolarHBondContact O-N 3.35Å
149T90.6Very high91.1Very high45 Ų4546.7 Ų46.728%0.27627%0.265SS..PPolyproline II helixtrans-74.1123.9171-55.40000110.4K144 N146 T147K144-T149 WeakPolarHBondContact CE-O 3.49Å; K144-T149 PolarHBondContact NZ-O 2.87Å; N146-T149 WeakPolarHBondContact CB-OG1 3.34Å; N146-T149 PolarHBondContact O-N 2.98Å; N146-T149 PolarHBondContact O-OG1 3.1Å; T147-T149 VanDerWaalsContact C-N 3.3Å; T147-T149 PolarHBondContact O-N 3.48Å
150T91.6Very high90.1Very high94 Ų9452.8 Ų52.858%0.57729%0.291SS*.PPolyproline II helixtrans-82.5130.8171.6-56.40000109.8G148G148-T150 PolarHBondContact O-N 3.35Å
151W93.1Very high89Confident4 Ų455.5 Ų55.52%0.01531%0.314CS..PPolyproline II helixtrans-94117.5175.8-70.933.8000109.1W68 Q70 V75 L120 L121 H122 V124 H153 L154W68-W151 HydrophobicContact CH2-CB 4.19Å; W68-W151 WeakPolarHBondContact CH2-O 3.43Å; W68-W151 HydrophobicContact CZ3-CB 4.18Å; Q70-W151 PolarHBondContact NE2-O 3.23Å; V75-W151 HydrophobicContact CG2-CD2 3.62Å; V75-W151 HydrophobicContact CG2-CE3 3.88Å; V75-W151 HydrophobicContact CG2-CG 4.05Å; V75-W151 HydrophobicContact CG2-CH2 4.27Å; V75-W151 HydrophobicContact CG2-CZ2 4.03Å; V75-W151 HydrophobicContact CG2-CZ3 4.2Å; L120-W151 HydrophobicContact CB-CH2 3.88Å; L120-W151 HydrophobicContact CB-CZ3 4.04Å; L120-W151 HydrophobicContact CD1-CH2 4.31Å; L120-W151 HydrophobicContact CD2-CH2 4.27Å; L120-W151 HydrophobicContact CD2-CZ3 4.01Å; L120-W151 HydrophobicContact CG-CH2 4.38Å; L121-W151 HydrophobicContact CB-CD2 4.5Å; L121-W151 HydrophobicContact CB-CE3 4.08Å; L121-W151 HydrophobicContact CB-CZ3 4.41Å; L121-W151 HydrophobicContact CD2-CB 4.27Å; H122-W151 HydrophobicContact CB-CH2 4.49Å; H122-W151 HydrophobicContact CB-CZ2 3.67Å; H122-W151 AromaticContact CD2-CD1 3.55Å; H122-W151 AromaticContact CD2-CE2 3.98Å; H122-W151 AromaticContact CD2-CG 3.89Å; H122-W151 AromaticContact CD2-NE1 3.59Å; H122-W151 AromaticContact CG-NE1 3.99Å; H122-W151 WeakPolarHBondContact O-CH2 3.27Å; H122-W151 VanDerWaalsContact O-CZ2 3.27Å; H122-W151 WeakPolarHBondContact O-CZ2 3.06Å; V124-W151 HydrophobicContact CG1-CH2 3.91Å; V124-W151 HydrophobicContact CG1-CZ2 4.02Å; W151-H153 VanDerWaalsContact C-N 3.3Å; W151-L154 HydrophobicContact CE3-CD1 4.42Å; W151-L154 HydrophobicContact CZ3-CD1 4.21Å; W151-L154 WeakPolarHBondContact CZ3-O 3.42Å
152D90.4Very high87.7Confident123 Ų12360.4 Ų60.466%0.65834%0.335SS*.SBendtrans-78.1-22.6176.7-60.6-39.1000112.4
153H91Very high86.1Confident26 Ų2664.4 Ų64.412%0.1236%0.359CS..  trans-142.5156.9-178.6-66.2-72.4000109.8L121 W151 E158 L159 K162L121-H153 WeakPolarHBondContact CB-O 3.23Å; L121-H153 HydrophobicContact CD2-CB 4.27Å; L121-H153 WeakPolarHBondContact CD2-O 3.31Å; W151-H153 VanDerWaalsContact C-N 3.3Å; H153-E158 HydrophobicContact CB-CB 4.09Å; H153-L159 HydrophobicContact CB-CB 4.26Å; H153-L159 VanDerWaalsContact CD2-CD1 3.48Å; H153-L159 WeakPolarHBondContact CD2-CD1 3.35Å; H153-K162 VanDerWaalsContact CE1-CD 3.41Å; H153-K162 WeakPolarHBondContact CE1-CD 2.93Å
154L90.2Very high84.2Confident0 Ų072.9 Ų72.90%039%0.391CS..SBendtrans-77.1-40176.8-175.363.7000110.8Y66 W68 V75 I77 L120 L121 W151 E158Y66-L154 HydrophobicContact CD2-CD2 4.24Å; Y66-L154 HydrophobicContact CE2-CD2 3.46Å; Y66-L154 VanDerWaalsContact CE2-CD2 3.46Å; W68-L154 HydrophobicContact CD2-CB 4.19Å; W68-L154 HydrophobicContact CD2-CD1 4.21Å; W68-L154 HydrophobicContact CE3-CD1 4.35Å; W68-L154 HydrophobicContact CG-CB 4.45Å; W68-L154 HydrophobicContact CG-CD1 4.36Å; W68-L154 HydrophobicContact CG-CD2 4.39Å; W68-L154 HydrophobicContact CZ2-CB 4.18Å; V75-L154 HydrophobicContact CG1-CD1 3.89Å; I77-L154 HydrophobicContact CD1-CD1 3.9Å; I77-L154 HydrophobicContact CD1-CD2 4.12Å; I77-L154 HydrophobicContact CG1-CD1 4.22Å; L120-L154 WeakPolarHBondContact CA-O 3.41Å; L120-L154 HydrophobicContact CD2-CD1 4.32Å; L121-L154 PolarHBondContact N-O 2.96Å; W151-L154 HydrophobicContact CE3-CD1 4.42Å; W151-L154 HydrophobicContact CZ3-CD1 4.21Å; W151-L154 WeakPolarHBondContact CZ3-O 3.42Å; L154-E158 PolarHBondContact N-OE2 3.5Å
155T89.5Confident82.4Confident17 Ų1776.4 Ų76.410%0.10442%0.421CS..BIsolated β-bridgetrans-122.6154.5-17570.70000112.2V117 S119 V157 E158 L159V117-T155 HydrophobicContact CG1-CG2 3.69Å; V117-T155 HydrophobicContact CG2-CG2 4.48Å; S119-T155 VanDerWaalsContact O-CA 3.27Å; S119-T155 WeakPolarHBondContact O-CA 3.29Å; S119-T155 VanDerWaalsContact O-CB 3.23Å; S119-T155 WeakPolarHBondContact O-CB 3.42Å; T155-V157 PolarHBondContact O-N 3.27Å; T155-V157 PolarHBondContact OG1-N 3.48Å; T155-E158 PolarHBondContact O-N 3.11Å; T155-E158 WeakPolarHBondContact OG1-CG 3.3Å; T155-E158 PolarHBondContact OG1-N 2.88Å; T155-E158 VanDerWaalsContact OG1-N 3.1Å; T155-L159 PolarHBondContact O-N 3.49Å
156T85.5Confident80.3Confident43 Ų4377.4 Ų77.426%0.26443%0.428SS..Hα-helixtrans-63-24.4171.358.60000112.4S119 L121 K160S119-T156 WeakPolarHBondContact CB-OG1 3.46Å; S119-T156 PolarHBondContact O-N 2.89Å; S119-T156 VanDerWaalsContact O-N 3.09Å; L121-T156 HydrophobicContact CD1-CG2 4.5Å; T156-K160 VanDerWaalsContact O-CG 3.31Å; T156-K160 WeakPolarHBondContact O-CG 3.48Å; T156-K160 PolarHBondContact O-N 3.33Å; T156-K160 VanDerWaalsContact O-N 3.11Å
157V81.8Confident78.3Confident98 Ų9875.9 Ų75.959%0.59442%0.423SS*.Hα-helixtrans-71.9-44-179.9-178.70000110.3T155 L159 K160 A161T155-V157 PolarHBondContact O-N 3.27Å; T155-V157 PolarHBondContact OG1-N 3.48Å; V157-L159 PolarHBondContact O-N 2.96Å; V157-K160 PolarHBondContact O-N 3.03Å; V157-A161 WeakPolarHBondContact O-CB 3.41Å; V157-A161 PolarHBondContact O-N 3.08Å
158E80.9Confident76.5Confident53 Ų5379.3 Ų79.325%0.24843%0.43CS..Hα-helixtrans-59-45.1174.8-76.3169.4-166.200111.9Y66 H153 L154 T155 K160 A161 K162Y66-E158 PolarHBondContact OH-OE1 3.14Å; H153-E158 HydrophobicContact CB-CB 4.09Å; L154-E158 PolarHBondContact N-OE2 3.5Å; T155-E158 PolarHBondContact O-N 3.11Å; T155-E158 WeakPolarHBondContact OG1-CG 3.3Å; T155-E158 PolarHBondContact OG1-N 2.88Å; T155-E158 VanDerWaalsContact OG1-N 3.1Å; E158-K160 PolarHBondContact O-N 3.28Å; E158-A161 PolarHBondContact O-N 2.85Å; E158-K162 PolarHBondContact O-N 3.39Å
159L80.1Confident74.5Confident66 Ų6685.5 Ų85.535%0.34644%0.442SS..Hα-helixtrans-60.5-47.4176.3176.261.8000111.1L121 H153 T155 V157 A161 K162 T163L121-L159 HydrophobicContact CD1-CB 4.38Å; L121-L159 HydrophobicContact CD1-CD2 3.76Å; H153-L159 HydrophobicContact CB-CB 4.26Å; H153-L159 VanDerWaalsContact CD2-CD1 3.48Å; H153-L159 WeakPolarHBondContact CD2-CD1 3.35Å; T155-L159 PolarHBondContact O-N 3.49Å; V157-L159 PolarHBondContact O-N 2.96Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 2.99Å; L159-K162 PolarHBondContact O-N 2.68Å; L159-T163 HydrophobicContact CD1-CG2 4.22Å; L159-T163 WeakPolarHBondContact O-CG2 3.49Å; L159-T163 PolarHBondContact O-N 2.96Å; L159-T163 PolarHBondContact O-OG1 2.97Å
160K75.3Confident72.5Confident132 Ų13288.8 Ų88.857%0.57446%0.458SS*.Hα-helixtrans-62-41.3178.3-74.6175.9-177.3179.10112T156 V157 E158 K162 T163 R164T156-K160 VanDerWaalsContact O-CG 3.31Å; T156-K160 WeakPolarHBondContact O-CG 3.48Å; T156-K160 PolarHBondContact O-N 3.33Å; T156-K160 VanDerWaalsContact O-N 3.11Å; V157-K160 PolarHBondContact O-N 3.03Å; E158-K160 PolarHBondContact O-N 3.28Å; K160-K162 PolarHBondContact O-N 3.41Å; K160-T163 WeakPolarHBondContact CA-OG1 3.34Å; K160-T163 PolarHBondContact O-N 3.48Å; K160-T163 PolarHBondContact O-OG1 2.96Å; K160-R164 WeakPolarHBondContact O-CG 3.46Å; K160-R164 PolarHBondContact O-N 3.5Å; K160-R164 VanDerWaalsContact O-N 3.08Å
161A73.9Confident70.5Confident58 Ų5893.9 Ų93.948%0.47947%0.473SS..Hα-helixtrans-61.5-43.4176.700000111.5V157 E158 L159 R164 A165V157-A161 WeakPolarHBondContact O-CB 3.41Å; V157-A161 PolarHBondContact O-N 3.08Å; E158-A161 PolarHBondContact O-N 2.85Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 2.99Å; A161-R164 PolarHBondContact O-N 3.12Å; A161-A165 PolarHBondContact O-N 3.09Å; A161-A165 VanDerWaalsContact O-N 3.08Å
162K69Low68.5Low121 Ų12198.5 Ų98.553%0.52650%0.501SS..Hα-helixtrans-67.2-39.6177.5-168.2173.1176.6-173.80112.8H153 E158 L159 K160 R164 A165 Q166H153-K162 VanDerWaalsContact CE1-CD 3.41Å; H153-K162 WeakPolarHBondContact CE1-CD 2.93Å; E158-K162 PolarHBondContact O-N 3.39Å; L159-K162 PolarHBondContact O-N 2.68Å; K160-K162 PolarHBondContact O-N 3.41Å; K162-R164 VanDerWaalsContact C-N 3.29Å; K162-R164 PolarHBondContact O-N 3.34Å; K162-A165 PolarHBondContact O-N 3.44Å; K162-Q166 PolarHBondContact O-N 3.04Å
163T63.4Low66.3Low83 Ų8397.1 Ų97.151%0.50949%0.494SS..Hα-helixtrans-67.5-27.3176.558.10000113.7L159 K160L159-T163 HydrophobicContact CD1-CG2 4.22Å; L159-T163 WeakPolarHBondContact O-CG2 3.49Å; L159-T163 PolarHBondContact O-N 2.96Å; L159-T163 PolarHBondContact O-OG1 2.97Å; K160-T163 WeakPolarHBondContact CA-OG1 3.34Å; K160-T163 PolarHBondContact O-N 3.48Å; K160-T163 PolarHBondContact O-OG1 2.96Å
164R59.2Low64.5Low205 Ų205104.2 Ų104.277%0.77453%0.533SS*.Hα-helixtrans-79.2-28.7173.5-73.3178.6177.9-170.6-2.1112.8K160 A161 K162 Q166K160-R164 WeakPolarHBondContact O-CG 3.46Å; K160-R164 PolarHBondContact O-N 3.5Å; K160-R164 VanDerWaalsContact O-N 3.08Å; A161-R164 PolarHBondContact O-N 3.12Å; K162-R164 VanDerWaalsContact C-N 3.29Å; K162-R164 PolarHBondContact O-N 3.34Å; R164-Q166 VanDerWaalsContact C-N 3.32Å
165A57.6Low62.9Low79 Ų79108.8 Ų108.865%0.65356%0.557SS**Hα-helixtrans-78.9-15.8177.600000113.1A161 K162 P167A161-A165 PolarHBondContact O-N 3.09Å; A161-A165 VanDerWaalsContact O-N 3.08Å; K162-A165 PolarHBondContact O-N 3.44Å; A165-P167 WeakPolarHBondContact O-CD 3.37Å
166Q52Low61.3Low132 Ų132113.6 Ų113.662%0.61759%0.589SS**SBendtrans-87.5115.1173.5-66.9-134.2-48.100109.7K162 R164 K168K162-Q166 PolarHBondContact O-N 3.04Å; R164-Q166 VanDerWaalsContact C-N 3.32Å; Q166-K168 PolarHBondContact O-N 3.34Å
167P51.8Low60.2Low66 Ų66113.4 Ų113.443%0.42960%0.595SS.*  trans-61.7126.417418.9-21.8000108.4A165 F169A165-P167 WeakPolarHBondContact O-CD 3.37Å; P167-F169 PolarHBondContact O-N 3.42Å
168K51.9Low59.2Low169 Ų169110.2 Ų110.274%0.73558%0.579SS**  trans-71.3103.3174.8-69.1-179.1-178.2177.20107.8Q166 D170Q166-K168 PolarHBondContact O-N 3.34Å; K168-D170 VanDerWaalsContact C-N 3.31Å; K168-D170 PolarHBondContact O-N 2.89Å
169F45.2Very low58.3Low181 Ų181109.4 Ų109.479%0.79459%0.585SS**  trans-71.892.1163.9-103.4-92.5000108.1P167 K171P167-F169 PolarHBondContact O-N 3.42Å; F169-K171 PolarHBondContact O-N 3.06Å
170D48.4Very low57.6Low114 Ų114111.2 Ų111.261%0.6160%0.595SS**  trans-72.5117.3163.3-144.1-6.1000107.2K168 T172K168-D170 VanDerWaalsContact C-N 3.31Å; K168-D170 PolarHBondContact O-N 2.89Å; D170-T172 PolarHBondContact O-N 2.99Å
171K49.5Very low57.1Low202 Ų202109.6 Ų109.688%0.87859%0.591SS**THydrogen-bonded Turntrans-77.226-174.5-76.9-177.1174.6174.70112.7F169F169-K171 PolarHBondContact O-N 3.06Å
172T51.9Low56.7Low101 Ų101110.4 Ų110.462%0.6259%0.587SS**THydrogen-bonded Turntrans-107.7-0.9-172.348.90000114.6D170D170-T172 PolarHBondContact O-N 2.99Å
173D44.9Very low56.3Low94 Ų94108.8 Ų108.850%0.50358%0.582SS.*  trans-109.2100.9178.5-79.5-27.9000111.4D175 A178D173-D175 PolarHBondContact O-N 3.05Å; D173-D175 VanDerWaalsContact O-N 3.1Å; D173-A178 HydrophobicContact CB-CB 4.32Å
174D53.3Low56.3Low174 Ų174108.8 Ų108.893%0.9358%0.577SS**  trans-66.32.8172.7-80.6-44000113.9
175D55.9Low56.6Low96 Ų96105.7 Ų105.751%0.51357%0.566SS.*  trans-110.8109.2178.4-169.2-5.8000111.1D173 G177 A178 G179D173-D175 PolarHBondContact O-N 3.05Å; D173-D175 VanDerWaalsContact O-N 3.1Å; D175-G177 PolarHBondContact O-N 3.49Å; D175-G177 PolarHBondContact OD1-N 3.13Å; D175-A178 HydrophobicContact CB-CB 4.07Å; D175-A178 PolarHBondContact O-N 2.6Å; D175-G179 PolarHBondContact O-N 3.39Å
176P56.1Low56.9Low118 Ų118105.2 Ų105.277%0.76655%0.55SS**Hα-helixtrans-56.6-21.2175.520-29.5000113.4
177G62.7Low57.4Low39 Ų39101.9 Ų101.940%0.40254%0.536SS..Hα-helixtrans-72.7-36.217200000114.2D175 M181D175-G177 PolarHBondContact O-N 3.49Å; D175-G177 PolarHBondContact OD1-N 3.13Å; G177-M181 PolarHBondContact O-N 2.75Å
178A60.9Low57.8Low31 Ų31104.5 Ų104.526%0.25654%0.538SS..Hα-helixtrans-71.8-40.2179.700000111.8D173 D175 L180 M181 N182D173-A178 HydrophobicContact CB-CB 4.32Å; D175-A178 HydrophobicContact CB-CB 4.07Å; D175-A178 PolarHBondContact O-N 2.6Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 2.77Å; A178-M181 PolarHBondContact O-N 2.79Å; A178-N182 PolarHBondContact O-N 2.73Å
179G61.7Low58.4Low37 Ų37100.5 Ų100.538%0.38154%0.537SS..Hα-helixtrans-59.7-40175.200000112.7D175 N182 M183D175-G179 PolarHBondContact O-N 3.39Å; G179-N182 PolarHBondContact O-N 3.44Å; G179-M183 WeakPolarHBondContact O-CB 3.44Å; G179-M183 PolarHBondContact O-N 2.96Å
180L64.1Low59Low104 Ų10495.8 Ų95.855%0.54553%0.526SS..Hα-helixtrans-66.5-42.2175.5-175.363.4000112.1A178 M183 M184A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 2.77Å; L180-M183 PolarHBondContact O-N 3.44Å; L180-M184 PolarHBondContact O-N 3.26Å
181M65.9Low59.4Low98 Ų9890.8 Ų90.848%0.48350%0.501SS..Hα-helixtrans-64.6-37.9176.3-96.1-164.1-173.700112.9G177 A178 M184 R185G177-M181 PolarHBondContact O-N 2.75Å; A178-M181 PolarHBondContact O-N 2.79Å; M181-M184 PolarHBondContact O-N 3.34Å; M181-R185 PolarHBondContact O-N 3.01Å
182N64.8Low59.4Low75 Ų7586.8 Ų86.840%0.40149%0.489SS..Hα-helixtrans-69.7-41.7178.2-157.828.7000111.3A178 G179 M184 R185 E186A178-N182 PolarHBondContact O-N 2.73Å; G179-N182 PolarHBondContact O-N 3.44Å; N182-M184 VanDerWaalsContact C-N 3.34Å; N182-M184 PolarHBondContact O-N 3.33Å; N182-R185 PolarHBondContact O-N 3.42Å; N182-E186 PolarHBondContact O-N 3.35Å
183M60.7Low59.8Low87 Ų8787.8 Ų87.843%0.42949%0.491SS..Hα-helixtrans-58.9-43.7172.5-170.9-178.5-175.500111.7G179 L180 E186 L187G179-M183 WeakPolarHBondContact O-CB 3.44Å; G179-M183 PolarHBondContact O-N 2.96Å; L180-M183 PolarHBondContact O-N 3.44Å; M183-E186 PolarHBondContact O-N 3.22Å; M183-L187 HydrophobicContact CG-CD1 4.27Å; M183-L187 WeakPolarHBondContact O-CB 3.43Å; M183-L187 WeakPolarHBondContact O-CG 3.35Å; M183-L187 PolarHBondContact O-N 3.08Å
184M63.1Low60.2Low83 Ų8390.8 Ų90.841%0.40950%0.502SS..Hα-helixtrans-64.6-40.3175.9-81.2-17614600113.1L180 M181 N182 L187 Y188L180-M184 PolarHBondContact O-N 3.26Å; M181-M184 PolarHBondContact O-N 3.34Å; N182-M184 VanDerWaalsContact C-N 3.34Å; N182-M184 PolarHBondContact O-N 3.33Å; M184-L187 PolarHBondContact O-N 3.41Å; M184-Y188 WeakPolarHBondContact O-CB 3.37Å; M184-Y188 PolarHBondContact O-N 2.97Å
185R66.4Low60.5Low140 Ų14086.6 Ų86.653%0.52848%0.478SS..Hα-helixtrans-61.9-43.1174.5-90-175.5-83-95.93111.9M181 N182 Y188 A189M181-R185 PolarHBondContact O-N 3.01Å; N182-R185 PolarHBondContact O-N 3.42Å; R185-Y188 PolarHBondContact O-N 3.38Å; R185-A189 WeakPolarHBondContact O-CB 3.35Å; R185-A189 PolarHBondContact O-N 3.24Å
186E64.1Low60.8Low69 Ų6984.9 Ų84.932%0.32247%0.466SS..Hα-helixtrans-67.4-38.4179-164.5169.1-158.100111.7N182 M183 A189 S190N182-E186 PolarHBondContact O-N 3.35Å; M183-E186 PolarHBondContact O-N 3.22Å; E186-A189 PolarHBondContact O-N 3.25Å; E186-S190 VanDerWaalsContact O-CB 3.3Å; E186-S190 WeakPolarHBondContact O-CB 3.47Å; E186-S190 PolarHBondContact O-N 3Å; E186-S190 PolarHBondContact O-OG 3.42Å
187L61.5Low61.2Low61 Ų6187.1 Ų87.132%0.31946%0.464SS..Hα-helixtrans-65.9-36.5173-69.3170.6000112.8M183 M184 G191 M195 I199M183-L187 HydrophobicContact CG-CD1 4.27Å; M183-L187 WeakPolarHBondContact O-CB 3.43Å; M183-L187 WeakPolarHBondContact O-CG 3.35Å; M183-L187 PolarHBondContact O-N 3.08Å; M184-L187 PolarHBondContact O-N 3.41Å; L187-G191 WeakPolarHBondContact O-CA 3.34Å; L187-G191 PolarHBondContact O-N 2.98Å; L187-M195 HydrophobicContact CB-CE 4.37Å; L187-M195 HydrophobicContact CD2-CE 3.76Å; L187-I199 HydrophobicContact CB-CD1 3.76Å
188Y60.9Low61.3Low122 Ų12288.3 Ų88.348%0.47847%0.469SS..Hα-helixtrans-70.8-38.1175.3-169.1-96.2000112.5M184 R185 K196 I199M184-Y188 WeakPolarHBondContact O-CB 3.37Å; M184-Y188 PolarHBondContact O-N 2.97Å; R185-Y188 PolarHBondContact O-N 3.38Å; Y188-K196 HydrophobicContact CD2-CB 4.24Å; Y188-K196 HydrophobicContact CD2-CG 4.17Å; Y188-K196 HydrophobicContact CE2-CB 3.91Å; Y188-K196 HydrophobicContact CE2-CG 4.15Å; Y188-K196 WeakPolarHBondContact O-CE 3.41Å; Y188-K196 WeakPolarHBondContact O-CG 3.39Å; Y188-I199 HydrophobicContact CD2-CG2 4.34Å
189A63.8Low61.3Low85 Ų8588.1 Ų88.170%0.70246%0.464SS*.Hα-helixtrans-73.4-30.2178.700000113.2R185 E186R185-A189 WeakPolarHBondContact O-CB 3.35Å; R185-A189 PolarHBondContact O-N 3.24Å; E186-A189 PolarHBondContact O-N 3.25Å
190S59Low61.4Low82 Ų8288.4 Ų88.457%0.57346%0.462SS*.Hα-helixtrans-96.3-13-17961.80000114.6E186E186-S190 VanDerWaalsContact O-CB 3.3Å; E186-S190 WeakPolarHBondContact O-CB 3.47Å; E186-S190 PolarHBondContact O-N 3Å; E186-S190 PolarHBondContact O-OG 3.42Å
191G55.7Low61.6Low8 Ų890 Ų908%0.08247%0.465CS..SBendtrans-73.4137.7-175.900000114.4L187 K196L187-G191 WeakPolarHBondContact O-CA 3.34Å; L187-G191 PolarHBondContact O-N 2.98Å; G191-K196 WeakPolarHBondContact O-CE 3.46Å; G191-K196 PolarHBondContact O-NZ 3.07Å
192D50.3Low61.6Low118 Ų11887.7 Ų87.763%0.63146%0.462SS*.  trans-44.9148.3153.3-179.7-33.8000110.3E194 M195 K196D192-E194 PolarHBondContact O-N 3.43Å; D192-E194 PolarHBondContact OD1-N 3.43Å; D192-M195 PolarHBondContact O-N 2.95Å; D192-K196 PolarHBondContact O-N 3.33Å
193D59.6Low61.5Low123 Ų12391 Ų9166%0.65847%0.469SS*.Hα-helixtrans-51.4-27.6178.9-78.1-14000113.1K196 K197D193-K196 IonicContact OD1-NZ 3.45Å; D193-K196 PolarHBondContact OD1-NZ 3.04Å; D193-K197 PolarHBondContact O-N 3.34Å
194E54.7Low61.7Low157 Ų15790.8 Ų90.873%0.73448%0.475SS*.Hα-helixtrans-71.7-41.2174.7-136-177.1-168.700112.9D192 K197 A198D192-E194 PolarHBondContact O-N 3.43Å; D192-E194 PolarHBondContact OD1-N 3.43Å; E194-K197 WeakPolarHBondContact O-CB 3.2Å; E194-K197 PolarHBondContact O-N 2.98Å; E194-A198 PolarHBondContact O-N 3.49Å
195M58.2Low61.8Low85 Ų8592 Ų9242%0.41948%0.479SS..Hα-helixtrans-70.4-37.5178.3-171.8172.8-177.200111.4L187 D192 K197 A198 I199L187-M195 HydrophobicContact CB-CE 4.37Å; L187-M195 HydrophobicContact CD2-CE 3.76Å; D192-M195 PolarHBondContact O-N 2.95Å; M195-K197 VanDerWaalsContact C-N 3.3Å; M195-K197 PolarHBondContact O-N 3.29Å; M195-A198 PolarHBondContact O-N 3.15Å; M195-I199 HydrophobicContact CE-CD1 4.34Å; M195-I199 HydrophobicContact CG-CD1 4.09Å; M195-I199 WeakPolarHBondContact O-CG1 3.48Å; M195-I199 PolarHBondContact O-N 2.92Å
196K62.9Low61.5Low61 Ų6187.8 Ų87.827%0.26548%0.475SS..Hα-helixtrans-59-41.1172.8-71.7177.7-175.8146.50112.1Y188 G191 D192 D193 I199 A200Y188-K196 HydrophobicContact CD2-CB 4.24Å; Y188-K196 HydrophobicContact CD2-CG 4.17Å; Y188-K196 HydrophobicContact CE2-CB 3.91Å; Y188-K196 HydrophobicContact CE2-CG 4.15Å; Y188-K196 WeakPolarHBondContact O-CE 3.41Å; Y188-K196 WeakPolarHBondContact O-CG 3.39Å; G191-K196 WeakPolarHBondContact O-CE 3.46Å; G191-K196 PolarHBondContact O-NZ 3.07Å; D192-K196 PolarHBondContact O-N 3.33Å; D193-K196 IonicContact OD1-NZ 3.45Å; D193-K196 PolarHBondContact OD1-NZ 3.04Å; K196-I199 PolarHBondContact O-N 3.05Å; K196-A200 WeakPolarHBondContact O-CB 3.49Å; K196-A200 PolarHBondContact O-N 2.96Å
197K64.1Low61.2Low165 Ų16590.5 Ų90.572%0.71749%0.487SS*.Hα-helixtrans-63.7-43.7176.9-113.2178.7174.5174.50112.2D193 E194 M195 A200 K201D193-K197 PolarHBondContact O-N 3.34Å; E194-K197 WeakPolarHBondContact O-CB 3.2Å; E194-K197 PolarHBondContact O-N 2.98Å; M195-K197 VanDerWaalsContact C-N 3.3Å; M195-K197 PolarHBondContact O-N 3.29Å; K197-A200 PolarHBondContact O-N 3.47Å; K197-K201 WeakPolarHBondContact O-CB 3.21Å; K197-K201 PolarHBondContact O-N 3.49Å
198A64.5Low61Low63 Ų6393.1 Ų93.152%0.52150%0.501SS..Hα-helixtrans-64.7-41.9178.600000112.1E194 M195 K201 A202E194-A198 PolarHBondContact O-N 3.49Å; M195-A198 PolarHBondContact O-N 3.15Å; A198-K201 PolarHBondContact O-N 3.46Å; A198-A202 PolarHBondContact O-N 3.25Å; A198-A202 VanDerWaalsContact O-N 3.09Å
199I61.3Low60.9Low28 Ų2894.5 Ų94.514%0.14451%0.51CS..Hα-helixtrans-67.6-42.5177.6-65.7170.5000111.1L187 Y188 M195 K196 K201 A202 W203L187-I199 HydrophobicContact CB-CD1 3.76Å; Y188-I199 HydrophobicContact CD2-CG2 4.34Å; M195-I199 HydrophobicContact CE-CD1 4.34Å; M195-I199 HydrophobicContact CG-CD1 4.09Å; M195-I199 WeakPolarHBondContact O-CG1 3.48Å; M195-I199 PolarHBondContact O-N 2.92Å; K196-I199 PolarHBondContact O-N 3.05Å; I199-K201 VanDerWaalsContact C-N 3.32Å; I199-K201 PolarHBondContact O-N 3.03Å; I199-A202 PolarHBondContact O-N 3.44Å; I199-W203 PolarHBondContact O-N 3.44Å
200A64.5Low60.6Low42 Ų4294.4 Ų94.435%0.34750%0.501SS..Hα-helixtrans-60.5-42176.400000112K196 K197 W203 C204K196-A200 WeakPolarHBondContact O-CB 3.49Å; K196-A200 PolarHBondContact O-N 2.96Å; K197-A200 PolarHBondContact O-N 3.47Å; A200-W203 PolarHBondContact O-N 2.93Å; A200-C204 PolarHBondContact O-N 3.2Å; A200-C204 VanDerWaalsContact O-N 3.12Å
201K67.6Low60.4Low137 Ų13793.6 Ų93.660%0.59650%0.495SS*.Hα-helixtrans-62.6-46.6176.8-175.8177.3175.1179.70112K197 A198 I199 W203 C204 E205K197-K201 WeakPolarHBondContact O-CB 3.21Å; K197-K201 PolarHBondContact O-N 3.49Å; A198-K201 PolarHBondContact O-N 3.46Å; I199-K201 VanDerWaalsContact C-N 3.32Å; I199-K201 PolarHBondContact O-N 3.03Å; K201-W203 VanDerWaalsContact C-N 3.26Å; K201-W203 PolarHBondContact O-N 3.21Å; K201-C204 PolarHBondContact O-N 3.19Å; K201-E205 WeakPolarHBondContact CE-OE1 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.47Å; K201-E205 PolarHBondContact O-N 3.39Å
202A65.7Low60.4Low51 Ų51103.1 Ų103.142%0.42153%0.528SS..Hα-helixtrans-62.3-33.7178.500000112.5A198 I199 A206A198-A202 PolarHBondContact O-N 3.25Å; A198-A202 VanDerWaalsContact O-N 3.09Å; I199-A202 PolarHBondContact O-N 3.44Å; A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.4Å
203W64Low60.6Low144 Ų144104.2 Ų104.255%0.54553%0.53SS..Hα-helixtrans-73.7-43179.5-156.7-0.4000112.7I199 A200 K201 E205 A206 Q207I199-W203 PolarHBondContact O-N 3.44Å; A200-W203 PolarHBondContact O-N 2.93Å; K201-W203 VanDerWaalsContact C-N 3.26Å; K201-W203 PolarHBondContact O-N 3.21Å; W203-E205 VanDerWaalsContact C-N 3.35Å; W203-E205 PolarHBondContact O-N 2.78Å; W203-A206 PolarHBondContact O-N 3.42Å; W203-Q207 WeakPolarHBondContact O-CB 3.47Å; W203-Q207 PolarHBondContact O-N 3.11Å
204C63.4Low60.3Low82 Ų82106.1 Ų106.155%0.55453%0.532SS*.Hα-helixtrans-59.9-45.2173.1-73.20000111.5A200 K201 A206 Q207 D208A200-C204 PolarHBondContact O-N 3.2Å; A200-C204 VanDerWaalsContact O-N 3.12Å; K201-C204 PolarHBondContact O-N 3.19Å; C204-A206 VanDerWaalsContact C-N 3.34Å; C204-A206 PolarHBondContact O-N 3.05Å; C204-Q207 PolarHBondContact O-N 2.93Å; C204-D208 WeakPolarHBondContact O-CB 3.38Å; C204-D208 PolarHBondContact O-N 3.46Å
205E64.9Low60.3Low108 Ų108105.9 Ų105.951%0.50554%0.536SS..Hα-helixtrans-65.2-35.6179.2-72.4175.2179.700112.6K201 W203 K209K201-E205 WeakPolarHBondContact CE-OE1 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.47Å; K201-E205 PolarHBondContact O-N 3.39Å; W203-E205 VanDerWaalsContact C-N 3.35Å; W203-E205 PolarHBondContact O-N 2.78Å; E205-K209 PolarHBondContact O-N 3.36Å; E205-K209 VanDerWaalsContact O-N 3.15Å
206A60.7Low60.1Low52 Ų52105.7 Ų105.743%0.4355%0.548SS..Hα-helixtrans-69.5-40.1175.100000112.3A202 W203 C204 K209 V210A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.4Å; W203-A206 PolarHBondContact O-N 3.42Å; C204-A206 VanDerWaalsContact C-N 3.34Å; C204-A206 PolarHBondContact O-N 3.05Å; A206-K209 PolarHBondContact O-N 3.26Å; A206-V210 WeakPolarHBondContact O-CG2 3.38Å; A206-V210 PolarHBondContact O-N 2.98Å
207Q58Low59.1Low127 Ų127114.9 Ų114.959%0.59359%0.588SS**Hα-helixtrans-72.3-34.3-180-158.8171.513.500112W203 C204 S211W203-Q207 WeakPolarHBondContact O-CB 3.47Å; W203-Q207 PolarHBondContact O-N 3.11Å; C204-Q207 PolarHBondContact O-N 2.93Å; Q207-S211 WeakPolarHBondContact O-CB 3.41Å; Q207-S211 PolarHBondContact O-N 3.38Å; Q207-S211 VanDerWaalsContact O-N 3.11Å; Q207-S211 PolarHBondContact O-OG 3.31Å
208D57.9Low58.8Low115 Ų115112.4 Ų112.462%0.61558%0.582SS**Hα-helixtrans-66.6-37.6172-96.9-21.8000112.4C204 S211 R212C204-D208 WeakPolarHBondContact O-CB 3.38Å; C204-D208 PolarHBondContact O-N 3.46Å; D208-S211 PolarHBondContact O-N 3.45Å; D208-R212 WeakPolarHBondContact O-CB 3.42Å; D208-R212 PolarHBondContact O-N 2.94Å
209K57.9Low58.5Low151 Ų151115 Ų11566%0.65759%0.585SS**Hα-helixtrans-63.9-46175.2-97.9-173.6173-1720112.6E205 A206 S211 R212 E213E205-K209 PolarHBondContact O-N 3.36Å; E205-K209 VanDerWaalsContact O-N 3.15Å; A206-K209 PolarHBondContact O-N 3.26Å; K209-S211 VanDerWaalsContact C-N 3.25Å; K209-S211 PolarHBondContact O-N 3.39Å; K209-R212 PolarHBondContact O-N 3.1Å; K209-E213 PolarHBondContact O-N 2.98Å
210V57.6Low58.4Low84 Ų84119.8 Ų119.851%0.50961%0.61SS.*Hα-helixtrans-64.4-33.3178.3177.20000111.4A206 K214A206-V210 WeakPolarHBondContact O-CG2 3.38Å; A206-V210 PolarHBondContact O-N 2.98Å; V210-K214 PolarHBondContact O-N 3.01Å
211S54.9Low58Low65 Ų65124.4 Ų124.446%0.45563%0.625SS.*Hα-helixtrans-76.4-32178.2-55.70000112.5Q207 D208 K209Q207-S211 WeakPolarHBondContact O-CB 3.41Å; Q207-S211 PolarHBondContact O-N 3.38Å; Q207-S211 VanDerWaalsContact O-N 3.11Å; Q207-S211 PolarHBondContact O-OG 3.31Å; D208-S211 PolarHBondContact O-N 3.45Å; K209-S211 VanDerWaalsContact C-N 3.25Å; K209-S211 PolarHBondContact O-N 3.39Å
212R56.2Low57.4Low207 Ų207123.6 Ų123.678%0.78163%0.627SS**Hα-helixtrans-72.2-37.1174-107176.6150.5163.7-5.9113.5D208 K209 K214 N215D208-R212 WeakPolarHBondContact O-CB 3.42Å; D208-R212 PolarHBondContact O-N 2.94Å; K209-R212 PolarHBondContact O-N 3.1Å; R212-K214 VanDerWaalsContact C-N 3.32Å; R212-N215 PolarHBondContact O-N 3.03Å
213E53.9Low56.9Low141 Ų141128.5 Ų128.566%0.65964%0.641SS**Hα-helixtrans-71.3-27.2178.2-75.8178.3168.600112.7K209K209-E213 PolarHBondContact O-N 2.98Å
214K52.9Low56.4Low164 Ų164127.4 Ų127.471%0.71365%0.647SS**Hα-helixtrans-78.6-16.1175.9-82.5-175.3174.21800115.3V210 R212V210-K214 PolarHBondContact O-N 3.01Å; R212-K214 VanDerWaalsContact C-N 3.32Å
215N55.7Low55.8Low152 Ų152130.8 Ų130.881%0.81365%0.654SS**THydrogen-bonded Turntrans-102.48.1178.2-96.23.4000113.2R212R212-N215 PolarHBondContact O-N 3.03Å
216A53.1Low55.1Low80 Ų80132.8 Ų132.866%0.66167%0.667SS**  trans-105.711.6-179.800000113.7
217F42.1Very low54.6Low255 Ų255140.1 Ų140.1100%1.11869%0.689SS**  trans-129.40172.3-89.7-85.9000109.6

Retrieved 217 of 217 residues in 423 ms (Link to these results)

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