A0A5K4FD92_SCHMA Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A5K4FD92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 560 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
1M47.5Very low48.8Very low247 Ų247166.8 Ų166.8100%1.21785%0.852SS**  0108.20-69.7-174.4-17800107.7
2A45.6Very low48.8Very low101 Ų101165.4 Ų165.484%0.83585%0.845SS**  trans-95.9119.4-177.100000110
3T47.6Very low48.1Very low143 Ų143165.8 Ų165.888%0.87785%0.845SS**  trans-80.6114.6177.545.70000110.4
4V50.5Low47.8Very low126 Ų126167.9 Ų167.976%0.76485%0.845SS**  trans-94.4108.7172.5-1800000109
5S50.7Low47.3Very low98 Ų98167.4 Ų167.469%0.68584%0.839SS**  trans-78.4119.5168.3171.50000109.5
6K48.6Very low47.2Very low192 Ų192170.1 Ų170.184%0.83584%0.843SS**  trans-90.5109.3172.7-74.5-176.6177.9176.10109.6K8K6-K8 PolarHBondContact O-N 3.2Å
7H50.7Low47.6Very low183 Ų183165.7 Ų165.785%0.84782%0.823SS**  trans-68.5108.6167.4-76.4-46.3000110.5K9H7-K9 PolarHBondContact O-N 2.77Å
8K49.3Very low48.4Very low193 Ų193161.6 Ų161.684%0.83980%0.799SS**  trans-74.7113.2171.9-165.1174.4-176.2-179.90108.7K6 V10K6-K8 PolarHBondContact O-N 3.2Å; K8-V10 PolarHBondContact O-N 3.13Å
9K49.4Very low49.2Very low208 Ų208156.8 Ų156.890%0.90478%0.777SS**  trans-68.897.5176.1-137.6175.3-171.9176.10108.6H7 R11H7-K9 PolarHBondContact O-N 2.77Å; K9-R11 PolarHBondContact O-N 3.3Å
10V50.7Low50.5Low118 Ų118149.6 Ų149.672%0.71574%0.741SS**  trans-72.8112.2173.8178.80000108K8 I12K8-V10 PolarHBondContact O-N 3.13Å; V10-I12 PolarHBondContact O-N 3.07Å
11R45.8Very low51.6Low226 Ų226149.4 Ų149.485%0.85373%0.732SS**  trans-74.5105.1167.1-89.9-172.7173-171.6-0.9107.7K9 M13K9-R11 PolarHBondContact O-N 3.3Å; R11-M13 PolarHBondContact O-N 2.96Å; R11-M13 VanDerWaalsContact O-N 3.07Å
12I49.8Very low53.1Low150 Ų150138.8 Ų138.877%0.76968%0.683SS**  trans-70.799.3170.1-59.8171.3000107.3V10 K14V10-I12 PolarHBondContact O-N 3.07Å; I12-K14 PolarHBondContact O-N 3.05Å
13M39.8Very low54.9Low171 Ų171139.2 Ų139.284%0.84267%0.672SS**  trans-70.5112.8167.3-81.2-174123.600108.5R11 Q15R11-M13 PolarHBondContact O-N 2.96Å; R11-M13 VanDerWaalsContact O-N 3.07Å; M13-Q15 PolarHBondContact O-N 3.36Å; M13-Q15 VanDerWaalsContact O-N 3.1Å
14K43Very low56.8Low195 Ų195135.6 Ų135.685%0.84865%0.645SS**  trans-65.7109168.7-82.6-177.2175.8177.80108.4I12 K16I12-K14 PolarHBondContact O-N 3.05Å; K14-K16 PolarHBondContact O-N 3.35Å
15Q40.4Very low58.7Low160 Ų160132.5 Ų132.575%0.74863%0.627SS**  trans-61.2108168.8-166.3173.52.300108.2M13 L17M13-Q15 PolarHBondContact O-N 3.36Å; M13-Q15 VanDerWaalsContact O-N 3.1Å; Q15-L17 HydrophobicContact CB-CD1 4.24Å; Q15-L17 VanDerWaalsContact CD-CD1 3.46Å; Q15-L17 HydrophobicContact CG-CD1 3.71Å; Q15-L17 HydrophobicContact CG-CG 4.04Å; Q15-L17 PolarHBondContact O-N 3.1Å
16K45.8Very low60.6Low211 Ų211129.2 Ų129.292%0.91760%0.602SS**  trans-72.571.5172.1-76.9-173.7175.9-178.70108.9K14 K18K14-K16 PolarHBondContact O-N 3.35Å; K16-K18 PolarHBondContact O-N 3.2Å
17L53.9Low62.7Low95 Ų95120.3 Ų120.350%0.49756%0.563SS.*  trans-70.9124.3165.1-85.7137.6000107.7Q15 L19Q15-L17 HydrophobicContact CB-CD1 4.24Å; Q15-L17 VanDerWaalsContact CD-CD1 3.46Å; Q15-L17 HydrophobicContact CG-CD1 3.71Å; Q15-L17 HydrophobicContact CG-CG 4.04Å; Q15-L17 PolarHBondContact O-N 3.1Å; L17-L19 PolarHBondContact O-N 3.48Å
18K61.8Low64.7Low91 Ų91111.8 Ų111.840%0.39652%0.524SS..  trans-56.2109.4169.1-170.3173.5176.6-1740106.8K16 F20 W102 T106K16-K18 PolarHBondContact O-N 3.2Å; K18-F20 HydrophobicContact CB-CE1 4.22Å; K18-F20 HydrophobicContact CB-CZ 4.06Å; K18-F20 HydrophobicContact CD-CE1 3.73Å; K18-F20 HydrophobicContact CD-CZ 4.16Å; K18-F20 HydrophobicContact CG-CD1 4.44Å; K18-F20 HydrophobicContact CG-CE1 3.81Å; K18-F20 HydrophobicContact CG-CZ 4.16Å; K18-F20 WeakPolarHBondContact O-CE2 3.44Å; K18-F20 PolarHBondContact O-N 3.06Å; K18-W102 HydrophobicContact CD-CH2 4.36Å; K18-W102 HydrophobicContact CD-CZ2 4.46Å; K18-T106 WeakPolarHBondContact CE-O 3.47Å; K18-T106 PolarHBondContact NZ-O 3.01Å; K18-T106 PolarHBondContact NZ-OG1 3.43Å
19L63.9Low66.8Low72 Ų72102.6 Ų102.638%0.37748%0.484SS..  trans-78.5105.5-178.5-78.9150.1000107.5L17 R21 N72L17-L19 PolarHBondContact O-N 3.48Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 HydrophobicContact CB-CG 4.31Å; L19-R21 PolarHBondContact O-N 3.5Å; L19-N72 HydrophobicContact CD2-CB 4Å
20F74.8Confident69Low12 Ų1292.7 Ų92.75%0.05344%0.441CS..  trans-75.386.3176.6-58.8-63000109.6K18 S28 M31 W32 N35 T106K18-F20 HydrophobicContact CB-CE1 4.22Å; K18-F20 HydrophobicContact CB-CZ 4.06Å; K18-F20 HydrophobicContact CD-CE1 3.73Å; K18-F20 HydrophobicContact CD-CZ 4.16Å; K18-F20 HydrophobicContact CG-CD1 4.44Å; K18-F20 HydrophobicContact CG-CE1 3.81Å; K18-F20 HydrophobicContact CG-CZ 4.16Å; K18-F20 WeakPolarHBondContact O-CE2 3.44Å; K18-F20 PolarHBondContact O-N 3.06Å; F20-S28 WeakPolarHBondContact O-CB 3.28Å; F20-M31 HydrophobicContact CB-CB 3.82Å; F20-M31 HydrophobicContact CB-CE 4.5Å; F20-M31 HydrophobicContact CD1-CB 4.08Å; F20-M31 HydrophobicContact CD1-CE 4.23Å; F20-M31 HydrophobicContact CG-CB 4.04Å; F20-W32 HydrophobicContact CB-CB 4.48Å; F20-W32 HydrophobicContact CD2-CB 3.87Å; F20-W32 HydrophobicContact CD2-CG 4.32Å; F20-W32 HydrophobicContact CG-CB 4.49Å; F20-N35 HydrophobicContact CE1-CB 4.29Å; F20-N35 HydrophobicContact CE2-CB 3.54Å; F20-N35 HydrophobicContact CZ-CB 3.4Å; F20-N35 VanDerWaalsContact CZ-CB 3.4Å; F20-T106 HydrophobicContact CE1-CG2 4Å
21R74.9Confident71.1Confident145 Ų14587.3 Ų87.355%0.54741%0.408SS..  trans-92.4131.3178.8-63.8-177.6177.4106.9-10.7109.8L19 N72L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 HydrophobicContact CB-CG 4.31Å; L19-R21 PolarHBondContact O-N 3.5Å; R21-N72 HydrophobicContact CG-CB 4.43Å; R21-N72 PolarHBondContact NE-OD1 2.57Å
22A78.6Confident73.3Confident24 Ų2479.1 Ų79.120%0.19838%0.377CS..  trans-140.7160.7167.600000109.7E24 K27 S28 M31 Q109A22-E24 PolarHBondContact O-N 2.94Å; A22-K27 HydrophobicContact CB-CB 3.42Å; A22-K27 VanDerWaalsContact CB-CB 3.42Å; A22-K27 HydrophobicContact CB-CD 4.23Å; A22-K27 HydrophobicContact CB-CG 4.5Å; A22-S28 WeakPolarHBondContact CB-OG 3.35Å; A22-S28 PolarHBondContact N-OG 2.97Å; A22-S28 VanDerWaalsContact N-OG 3.15Å; A22-M31 HydrophobicContact CB-SD 4.24Å; A22-Q109 HydrophobicContact CB-CB 3.79Å
23N83.7Confident75.5Confident111 Ų11172 Ų7259%0.59434%0.341SS*.SBendtrans-68.7-14.1179.167.7-17.9000113.7K27 Q109N23-K27 PolarHBondContact OD1-NZ 3.23Å; N23-Q109 PolarHBondContact OD1-OE1 3.37Å
24E86.4Confident78.1Confident66 Ų6663.8 Ų63.831%0.30830%0.301SS..SBendtrans-128.8136.6176.9-70.9-177.7-164.500111.2A22 L26 K27 S28 W112A22-E24 PolarHBondContact O-N 2.94Å; E24-L26 PolarHBondContact O-N 3.39Å; E24-L26 VanDerWaalsContact O-N 3.14Å; E24-K27 HydrophobicContact CB-CD 4.28Å; E24-K27 HydrophobicContact CB-CG 4.29Å; E24-K27 PolarHBondContact O-N 3.41Å; E24-S28 PolarHBondContact O-N 3.44Å; E24-W112 PolarHBondContact OE1-NE1 3.12Å; E24-W112 PolarHBondContact OE2-NE1 3.25Å
25P90.1Very high80.6Confident61 Ų6156.3 Ų56.340%0.39627%0.27SS..Hα-helixtrans-54.1-36.1179.7-29.836.5000114.1K27 S28 V29 P74 V175P25-K27 PolarHBondContact O-N 3.41Å; P25-S28 PolarHBondContact O-N 3.11Å; P25-V29 VanDerWaalsContact O-CG2 3.29Å; P25-V29 WeakPolarHBondContact O-CG2 3.09Å; P25-V29 PolarHBondContact O-N 3.15Å; P25-P74 HydrophobicContact CB-CB 4.45Å; P25-P74 HydrophobicContact CB-CG 4.07Å; P25-V175 HydrophobicContact CB-CG1 3.7Å
26L91.3Very high83.1Confident30 Ų3052.8 Ų52.816%0.15725%0.25CS..Hα-helixtrans-61.6-42.8179.2-172.272.6000111.8E24 V29 L30 W112 L173 V175E24-L26 PolarHBondContact O-N 3.39Å; E24-L26 VanDerWaalsContact O-N 3.14Å; L26-V29 PolarHBondContact O-N 2.98Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 PolarHBondContact O-N 3.26Å; L26-W112 HydrophobicContact CD2-CH2 4.15Å; L26-W112 HydrophobicContact CD2-CZ2 4.15Å; L26-L173 HydrophobicContact CD1-CB 3.88Å; L26-L173 HydrophobicContact CD1-CD1 3.64Å; L26-L173 HydrophobicContact CD1-CG 4.35Å; L26-L173 HydrophobicContact CG-CD1 4.08Å; L26-V175 HydrophobicContact CD1-CG2 4.34Å
27K92.5Very high85.4Confident4 Ų442.7 Ų42.72%0.01721%0.206CC..Hα-helixtrans-67.1-44.9178.4-64.9177.7-174.6-179.30110.9A22 N23 E24 P25 V29 L30 M31 P110 W112 L124A22-K27 HydrophobicContact CB-CB 3.42Å; A22-K27 VanDerWaalsContact CB-CB 3.42Å; A22-K27 HydrophobicContact CB-CD 4.23Å; A22-K27 HydrophobicContact CB-CG 4.5Å; N23-K27 PolarHBondContact OD1-NZ 3.23Å; E24-K27 HydrophobicContact CB-CD 4.28Å; E24-K27 HydrophobicContact CB-CG 4.29Å; E24-K27 PolarHBondContact O-N 3.41Å; P25-K27 PolarHBondContact O-N 3.41Å; K27-V29 VanDerWaalsContact C-N 3.3Å; K27-V29 PolarHBondContact O-N 3.37Å; K27-L30 WeakPolarHBondContact O-CB 3.26Å; K27-L30 PolarHBondContact O-N 3.18Å; K27-M31 VanDerWaalsContact O-CG 3.23Å; K27-M31 WeakPolarHBondContact O-CG 3.48Å; K27-M31 PolarHBondContact O-N 3.08Å; K27-P110 WeakPolarHBondContact CD-O 3.45Å; K27-P110 WeakPolarHBondContact CE-O 3.39Å; K27-P110 HydrophobicContact CG-CG 4.39Å; K27-P110 PolarHBondContact NZ-O 2.82Å; K27-W112 VanDerWaalsContact CE-CD1 3.44Å; K27-L124 HydrophobicContact CD-CD2 4.43Å; K27-L124 HydrophobicContact CG-CD2 4.27Å
28S91.8Very high87.2Confident4 Ų438.7 Ų38.73%0.02819%0.185CC..Hα-helixtrans-58.4-43.7176.7-53.70000111.5F20 A22 E24 P25 M31 W32F20-S28 WeakPolarHBondContact O-CB 3.28Å; A22-S28 WeakPolarHBondContact CB-OG 3.35Å; A22-S28 PolarHBondContact N-OG 2.97Å; A22-S28 VanDerWaalsContact N-OG 3.15Å; E24-S28 PolarHBondContact O-N 3.44Å; P25-S28 PolarHBondContact O-N 3.11Å; S28-M31 PolarHBondContact O-N 3.4Å; S28-W32 VanDerWaalsContact O-CB 3.28Å; S28-W32 WeakPolarHBondContact O-CB 3.4Å; S28-W32 PolarHBondContact O-N 3.5Å
29V94Very high88.5Confident0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-67.7-36.9177.8173.90000112.2P25 L26 K27 G33 M73 P74 F77 L173 V175P25-V29 VanDerWaalsContact O-CG2 3.29Å; P25-V29 WeakPolarHBondContact O-CG2 3.09Å; P25-V29 PolarHBondContact O-N 3.15Å; L26-V29 PolarHBondContact O-N 2.98Å; K27-V29 VanDerWaalsContact C-N 3.3Å; K27-V29 PolarHBondContact O-N 3.37Å; V29-G33 WeakPolarHBondContact O-CA 3.16Å; V29-G33 PolarHBondContact O-N 3.21Å; V29-M73 HydrophobicContact CG2-CE 3.88Å; V29-P74 HydrophobicContact CG2-CG 3.49Å; V29-P74 VanDerWaalsContact CG2-CG 3.49Å; V29-F77 HydrophobicContact CB-CD2 4.34Å; V29-F77 HydrophobicContact CG1-CB 4.31Å; V29-F77 HydrophobicContact CG1-CD2 3.59Å; V29-F77 HydrophobicContact CG1-CE2 4.23Å; V29-F77 HydrophobicContact CG1-CG 4.18Å; V29-F77 HydrophobicContact CG2-CB 3.87Å; V29-F77 HydrophobicContact CG2-CD1 4.14Å; V29-F77 HydrophobicContact CG2-CD2 3.81Å; V29-F77 HydrophobicContact CG2-CE2 4.38Å; V29-F77 HydrophobicContact CG2-CG 3.67Å; V29-L173 HydrophobicContact CG1-CB 4.42Å; V29-L173 HydrophobicContact CG1-CD2 4.26Å; V29-V175 HydrophobicContact CB-CG2 4.03Å; V29-V175 HydrophobicContact CG1-CG2 4.18Å; V29-V175 HydrophobicContact CG2-CG2 3.81Å
30L95.2Very high89.7Confident0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-61.4-51.4172.7-179.159.8000111.5L26 K27 W32 G33 I34 F105 L124 Y171 L173 I182L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 PolarHBondContact O-N 3.26Å; K27-L30 WeakPolarHBondContact O-CB 3.26Å; K27-L30 PolarHBondContact O-N 3.18Å; L30-W32 PolarHBondContact O-N 2.91Å; L30-G33 PolarHBondContact O-N 3.41Å; L30-I34 HydrophobicContact CD1-CD1 3.81Å; L30-I34 HydrophobicContact CD1-CG1 4.21Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CG1 3.49Å; L30-I34 PolarHBondContact O-N 3.41Å; L30-F105 HydrophobicContact CD2-CE1 4.46Å; L30-L124 HydrophobicContact CD2-CD1 3.95Å; L30-Y171 HydrophobicContact CD1-CD2 4.18Å; L30-L173 HydrophobicContact CB-CD1 3.82Å; L30-L173 HydrophobicContact CD1-CD1 4.27Å; L30-I182 HydrophobicContact CD1-CD1 4.25Å; L30-I182 HydrophobicContact CD2-CD1 4.03Å
31M94.6Very high90.3Very high5 Ų535.6 Ų35.63%0.02518%0.182CC..Hα-helixtrans-60.1-47.7179.9-64.5172.573.200111.4F20 A22 K27 S28 G33 N35 F105 Q109F20-M31 HydrophobicContact CB-CB 3.82Å; F20-M31 HydrophobicContact CB-CE 4.5Å; F20-M31 HydrophobicContact CD1-CB 4.08Å; F20-M31 HydrophobicContact CD1-CE 4.23Å; F20-M31 HydrophobicContact CG-CB 4.04Å; A22-M31 HydrophobicContact CB-SD 4.24Å; K27-M31 VanDerWaalsContact O-CG 3.23Å; K27-M31 WeakPolarHBondContact O-CG 3.48Å; K27-M31 PolarHBondContact O-N 3.08Å; S28-M31 PolarHBondContact O-N 3.4Å; M31-G33 VanDerWaalsContact C-N 3.35Å; M31-G33 PolarHBondContact O-N 3.44Å; M31-N35 WeakPolarHBondContact O-CB 3.39Å; M31-N35 PolarHBondContact O-N 3.06Å; M31-F105 WeakPolarHBondContact CG-O 3.34Å; M31-Q109 HydrophobicContact SD-CB 4.1Å
32W93.4Very high90.6Very high54 Ų5432.8 Ų32.821%0.20518%0.178CC..Hα-helixtrans-61.3-43.5176.5179.594.5000111.8F20 S28 L30 N35 Y36 V61 V63 M73 F77 F79F20-W32 HydrophobicContact CB-CB 4.48Å; F20-W32 HydrophobicContact CD2-CB 3.87Å; F20-W32 HydrophobicContact CD2-CG 4.32Å; F20-W32 HydrophobicContact CG-CB 4.49Å; S28-W32 VanDerWaalsContact O-CB 3.28Å; S28-W32 WeakPolarHBondContact O-CB 3.4Å; S28-W32 PolarHBondContact O-N 3.5Å; L30-W32 PolarHBondContact O-N 2.91Å; W32-N35 WeakPolarHBondContact O-CB 3.44Å; W32-N35 PolarHBondContact O-N 3.34Å; W32-Y36 HydrophobicContact CH2-CD2 4Å; W32-Y36 HydrophobicContact CH2-CG 4.02Å; W32-Y36 HydrophobicContact CZ2-CD2 4.27Å; W32-Y36 HydrophobicContact CZ3-CG 4.24Å; W32-Y36 WeakPolarHBondContact O-CB 3.45Å; W32-Y36 PolarHBondContact O-N 3.35Å; W32-V61 HydrophobicContact CH2-CG1 3.79Å; W32-V61 HydrophobicContact CH2-CG2 4.1Å; W32-V61 HydrophobicContact CZ3-CG1 3.63Å; W32-V63 HydrophobicContact CH2-CG2 3.53Å; W32-V63 HydrophobicContact CZ2-CG2 3.87Å; W32-V63 HydrophobicContact CZ3-CG2 4.18Å; W32-M73 HydrophobicContact CB-CE 3.65Å; W32-M73 HydrophobicContact CB-SD 4.25Å; W32-M73 HydrophobicContact CD2-CE 4.29Å; W32-M73 HydrophobicContact CG-CE 3.72Å; W32-F77 AromaticContact CD2-CE2 3.96Å; W32-F77 HydrophobicContact CD2-CE2 3.96Å; W32-F77 AromaticContact CD2-CZ 3.96Å; W32-F77 HydrophobicContact CD2-CZ 3.96Å; W32-F77 AromaticContact CE3-CE2 3.48Å; W32-F77 HydrophobicContact CE3-CE2 3.48Å; W32-F77 VanDerWaalsContact CE3-CE2 3.48Å; W32-F77 AromaticContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CH2-CE2 4.16Å; W32-F77 HydrophobicContact CH2-CZ 4.4Å; W32-F77 HydrophobicContact CZ2-CZ 4.37Å; W32-F77 AromaticContact CZ3-CE2 3.6Å; W32-F77 HydrophobicContact CZ3-CE2 3.6Å; W32-F77 HydrophobicContact CZ3-CZ 4.2Å; W32-F79 HydrophobicContact CZ3-CB 4.28Å
33G95.2Very high90.7Very high0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-67.3-42.4-177.700000113.3V29 L30 M31 N35 Y36 S37 F79V29-G33 WeakPolarHBondContact O-CA 3.16Å; V29-G33 PolarHBondContact O-N 3.21Å; L30-G33 PolarHBondContact O-N 3.41Å; M31-G33 VanDerWaalsContact C-N 3.35Å; M31-G33 PolarHBondContact O-N 3.44Å; G33-N35 VanDerWaalsContact C-N 3.34Å; G33-Y36 PolarHBondContact O-N 3.45Å; G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 3.48Å; G33-F79 VanDerWaalsContact CA-CD2 3.42Å; G33-F79 VanDerWaalsContact CA-CE2 3.47Å; G33-F79 WeakPolarHBondContact O-CE1 3.46Å; G33-F79 WeakPolarHBondContact O-CZ 3.5Å
34I95.3Very high90.7Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-62.1-43.9172.7-70172.9000110.2L30 Y36 S37 F38 Y101 F105 Y171L30-I34 HydrophobicContact CD1-CD1 3.81Å; L30-I34 HydrophobicContact CD1-CG1 4.21Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CG1 3.49Å; L30-I34 PolarHBondContact O-N 3.41Å; I34-Y36 PolarHBondContact O-N 3.08Å; I34-S37 PolarHBondContact O-N 3.07Å; I34-F38 HydrophobicContact CG2-CD2 4.12Å; I34-F38 HydrophobicContact CG2-CE2 4.1Å; I34-F38 VanDerWaalsContact O-CD2 3.23Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 3.45Å; I34-Y101 HydrophobicContact CG2-CE1 4.2Å; I34-F105 HydrophobicContact CD1-CB 3.85Å; I34-F105 HydrophobicContact CD1-CD1 3.6Å; I34-F105 HydrophobicContact CD1-CD2 3.91Å; I34-F105 HydrophobicContact CD1-CE1 4.13Å; I34-F105 HydrophobicContact CD1-CE2 4.41Å; I34-F105 HydrophobicContact CD1-CG 3.49Å; I34-F105 VanDerWaalsContact CD1-CG 3.49Å; I34-F105 HydrophobicContact CG2-CB 4.36Å; I34-Y171 HydrophobicContact CD1-CE2 4.36Å; I34-Y171 HydrophobicContact CG1-CE2 4.35Å
35N94.2Very high90.4Very high37 Ų3741.3 Ų41.320%0.19821%0.212CC..Hα-helixtrans-60.5-47.1175.5179.678.6000112.3F20 M31 W32 G33 S37 F38 S39 W102 T106F20-N35 HydrophobicContact CE1-CB 4.29Å; F20-N35 HydrophobicContact CE2-CB 3.54Å; F20-N35 HydrophobicContact CZ-CB 3.4Å; F20-N35 VanDerWaalsContact CZ-CB 3.4Å; M31-N35 WeakPolarHBondContact O-CB 3.39Å; M31-N35 PolarHBondContact O-N 3.06Å; W32-N35 WeakPolarHBondContact O-CB 3.44Å; W32-N35 PolarHBondContact O-N 3.34Å; G33-N35 VanDerWaalsContact C-N 3.34Å; N35-S37 VanDerWaalsContact C-N 3.35Å; N35-S37 PolarHBondContact O-N 2.72Å; N35-F38 PolarHBondContact O-N 3.46Å; N35-S39 PolarHBondContact O-N 3.03Å; N35-S39 PolarHBondContact O-OG 3.44Å; N35-W102 PolarHBondContact OD1-NE1 3Å; N35-T106 HydrophobicContact CB-CG2 4.24Å
36Y93.1Very high89.6Confident86 Ų8643.1 Ų43.134%0.33722%0.216SC..Hα-helixtrans-58.8-46.1176.9175.3-93.2000111.7W32 G33 I34 F38 S39 A40 M59 V61W32-Y36 HydrophobicContact CH2-CD2 4Å; W32-Y36 HydrophobicContact CH2-CG 4.02Å; W32-Y36 HydrophobicContact CZ2-CD2 4.27Å; W32-Y36 HydrophobicContact CZ3-CG 4.24Å; W32-Y36 WeakPolarHBondContact O-CB 3.45Å; W32-Y36 PolarHBondContact O-N 3.35Å; G33-Y36 PolarHBondContact O-N 3.45Å; I34-Y36 PolarHBondContact O-N 3.08Å; Y36-F38 VanDerWaalsContact C-N 3.34Å; Y36-F38 PolarHBondContact O-N 2.92Å; Y36-S39 WeakPolarHBondContact O-CB 3.49Å; Y36-S39 PolarHBondContact O-N 3.13Å; Y36-A40 PolarHBondContact O-N 3.21Å; Y36-M59 HydrophobicContact CE1-CG 4.47Å; Y36-M59 HydrophobicContact CE1-SD 4.1Å; Y36-V61 HydrophobicContact CD1-CG1 3.99Å; Y36-V61 HydrophobicContact CE1-CB 3.96Å; Y36-V61 HydrophobicContact CE1-CG1 3.9Å; Y36-V61 HydrophobicContact CE1-CG2 4.44Å; Y36-V61 HydrophobicContact CE2-CG2 4.46Å
37S94.1Very high89.2Confident0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-56.4-48.1177.6159.10000111.7G33 I34 N35 S39 A40 L41 M59 E81G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 3.48Å; I34-S37 PolarHBondContact O-N 3.07Å; N35-S37 VanDerWaalsContact C-N 3.35Å; N35-S37 PolarHBondContact O-N 2.72Å; S37-S39 VanDerWaalsContact C-N 3.33Å; S37-S39 PolarHBondContact O-N 3.03Å; S37-A40 PolarHBondContact O-N 3.21Å; S37-L41 WeakPolarHBondContact O-CB 3.26Å; S37-L41 VanDerWaalsContact O-CG 3.29Å; S37-L41 WeakPolarHBondContact O-CG 3.41Å; S37-L41 PolarHBondContact O-N 3.47Å; S37-M59 VanDerWaalsContact CA-CE 3.47Å; S37-E81 WeakPolarHBondContact CB-OE2 3.45Å; S37-E81 PolarHBondContact OG-OE1 2.91Å; S37-E81 PolarHBondContact OG-OE2 2.98Å
38F91.5Very high88.6Confident11 Ų1151.8 Ų51.85%0.04827%0.269CS..Hα-helixtrans-65.4-37.9180-86.5-119.4000112I34 N35 Y36 N42 K98 Y101 W102I34-F38 HydrophobicContact CG2-CD2 4.12Å; I34-F38 HydrophobicContact CG2-CE2 4.1Å; I34-F38 VanDerWaalsContact O-CD2 3.23Å; I34-F38 WeakPolarHBondContact O-CD2 3.49Å; I34-F38 PolarHBondContact O-N 3.45Å; N35-F38 PolarHBondContact O-N 3.46Å; Y36-F38 VanDerWaalsContact C-N 3.34Å; Y36-F38 PolarHBondContact O-N 2.92Å; F38-N42 PolarHBondContact O-N 3.48Å; F38-N42 PolarHBondContact O-ND2 3.43Å; F38-N42 PolarHBondContact O-OD1 2.97Å; F38-N42 VanDerWaalsContact O-OD1 3.11Å; F38-K98 HydrophobicContact CD1-CD 4.36Å; F38-K98 HydrophobicContact CD1-CG 3.61Å; F38-K98 HydrophobicContact CE1-CB 4.31Å; F38-K98 HydrophobicContact CE1-CG 3.38Å; F38-K98 VanDerWaalsContact CE1-O 3.25Å; F38-K98 WeakPolarHBondContact CE1-O 3.26Å; F38-Y101 HydrophobicContact CE1-CD1 4.34Å; F38-Y101 AromaticContact CE2-CD1 3.73Å; F38-Y101 HydrophobicContact CE2-CD1 3.73Å; F38-Y101 AromaticContact CE2-CE1 3.9Å; F38-Y101 HydrophobicContact CE2-CE1 3.9Å; F38-Y101 AromaticContact CZ-CD1 3.35Å; F38-Y101 HydrophobicContact CZ-CD1 3.35Å; F38-Y101 AromaticContact CZ-CE1 3.97Å; F38-Y101 HydrophobicContact CZ-CE1 3.97Å; F38-Y101 HydrophobicContact CZ-CG 4.22Å; F38-W102 HydrophobicContact CD1-CB 3.9Å; F38-W102 HydrophobicContact CD1-CG 4.37Å; F38-W102 HydrophobicContact CE1-CB 3.97Å
39S89.4Confident88.4Confident58 Ų5858.3 Ų58.341%0.40630%0.303SS..Hα-helixtrans-62-46.6172.7-63.90000111.5N35 Y36 S37 N42 H43N35-S39 PolarHBondContact O-N 3.03Å; N35-S39 PolarHBondContact O-OG 3.44Å; Y36-S39 WeakPolarHBondContact O-CB 3.49Å; Y36-S39 PolarHBondContact O-N 3.13Å; S37-S39 VanDerWaalsContact C-N 3.33Å; S37-S39 PolarHBondContact O-N 3.03Å; S39-N42 PolarHBondContact O-N 3.01Å; S39-H43 PolarHBondContact O-CD2 2.85Å
40A89.5Confident88.4Confident30 Ų3060.3 Ų60.325%0.24831%0.313CS..Hα-helixtrans-63.8-44.7179.500000112.3Y36 S37 N42 H43 M59Y36-A40 PolarHBondContact O-N 3.21Å; S37-A40 PolarHBondContact O-N 3.21Å; A40-N42 PolarHBondContact O-N 2.75Å; A40-H43 PolarHBondContact O-N 3.19Å; A40-M59 HydrophobicContact CB-CE 4.49Å; A40-M59 HydrophobicContact CB-SD 3.63Å
41L86.9Confident88.3Confident21 Ų2164.5 Ų64.511%0.1134%0.335CS..Hα-helixtrans-68.3-20.5-178.5-69173.8000113.7S37 H43 V44 P84 M85S37-L41 WeakPolarHBondContact O-CB 3.26Å; S37-L41 VanDerWaalsContact O-CG 3.29Å; S37-L41 WeakPolarHBondContact O-CG 3.41Å; S37-L41 PolarHBondContact O-N 3.47Å; L41-H43 PolarHBondContact O-N 3.34Å; L41-V44 HydrophobicContact CD2-CG2 4.43Å; L41-V44 PolarHBondContact O-N 3.18Å; L41-P84 HydrophobicContact CD1-CB 4.26Å; L41-P84 HydrophobicContact CD2-CB 4.01Å; L41-M85 HydrophobicContact CD2-SD 4.05Å
42N81.7Confident88.2Confident87 Ų8771.7 Ų71.747%0.46537%0.366SS..THydrogen-bonded Turntrans-68.1-22.2176.2-67.7-20.9000113.6F38 S39 A40 K98F38-N42 PolarHBondContact O-N 3.48Å; F38-N42 PolarHBondContact O-ND2 3.43Å; F38-N42 PolarHBondContact O-OD1 2.97Å; F38-N42 VanDerWaalsContact O-OD1 3.11Å; S39-N42 PolarHBondContact O-N 3.01Å; A40-N42 PolarHBondContact O-N 2.75Å; N42-K98 PolarHBondContact ND2-NZ 3.27Å; N42-K98 WeakPolarHBondContact OD1-CE 3.44Å; N42-K98 PolarHBondContact OD1-NZ 3.33Å
43H81.2Confident88.3Confident168 Ų16874.6 Ų74.678%0.77839%0.386SS*.THydrogen-bonded Turntrans-90.3-7.2177.9-58-65000112.3S39 A40 L41S39-H43 PolarHBondContact O-CD2 2.85Å; A40-H43 PolarHBondContact O-N 3.19Å; L41-H43 PolarHBondContact O-N 3.34Å
44V83.1Confident88.3Confident70 Ų7075.2 Ų75.242%0.42439%0.389SS..SBendtrans-86.9122.6179.8-177.10000109.6L41 Q46 M85L41-V44 HydrophobicContact CD2-CG2 4.43Å; L41-V44 PolarHBondContact O-N 3.18Å; V44-Q46 PolarHBondContact O-N 3.04Å; V44-M85 HydrophobicContact CG1-CE 4.33Å; V44-M85 HydrophobicContact CG1-SD 4.05Å
45K79.5Confident88.4Confident142 Ų14276.3 Ų76.362%0.61739%0.394SS*.PPolyproline II helixtrans-61.6124175.8-173.6176.2-179.5178.30110.1R47K45-R47 PolarHBondContact O-N 3.14Å
46Q74.3Confident88.5Confident99 Ų9982.6 Ų82.646%0.46342%0.419SS..PPolyproline II helixtrans-62.3123.2175.9-172.366.518.800110.1V44 K88V44-Q46 PolarHBondContact O-N 3.04Å; Q46-K88 VanDerWaalsContact CD-NZ 3.35Å
47R82.8Confident88.7Confident110 Ų11080.2 Ų80.242%0.41542%0.417SS..PPolyproline II helixtrans-95.2150.6172.3-66.2-178.5-64.1-169.41110K45 D54K45-R47 PolarHBondContact O-N 3.14Å; R47-D54 IonicContact CZ-OD1 3.11Å; R47-D54 IonicContact CZ-OD2 3.34Å; R47-D54 IonicContact NH2-OD1 3.23Å; R47-D54 PolarHBondContact NH2-OD1 2.92Å; R47-D54 IonicContact NH2-OD2 2.83Å; R47-D54 PolarHBondContact NH2-OD2 2.81Å
48A80.6Confident88.8Confident106 Ų10687 Ų8788%0.87644%0.444SS*.SBendtrans-73.9-30.3-178.600000113.3
49L87.6Confident89Confident141 Ų14188 Ų8874%0.73845%0.449SS*.SBendtrans-128.1146.6-179.9-63.1174.6000109.8
50L92.3Very high89.3Confident42 Ų4290.5 Ų90.522%0.2245%0.453CS..  trans-78.3139.4168.9-64.7178.9000109.4D54 F55 M85 V86 Y152L50-D54 WeakPolarHBondContact CA-OD2 3.38Å; L50-D54 HydrophobicContact CD2-CB 4.43Å; L50-F55 HydrophobicContact CB-CE2 4.21Å; L50-F55 HydrophobicContact CD1-CE2 4.45Å; L50-F55 HydrophobicContact CD1-CZ 4.17Å; L50-M85 HydrophobicContact CD2-CB 4.06Å; L50-V86 HydrophobicContact CD1-CB 4.36Å; L50-V86 HydrophobicContact CD1-CG1 4.3Å; L50-V86 HydrophobicContact CD1-CG2 4.2Å; L50-Y152 HydrophobicContact CD1-CD1 4.27Å; L50-Y152 HydrophobicContact CD1-CD2 3.98Å; L50-Y152 HydrophobicContact CD1-CE1 3.77Å; L50-Y152 HydrophobicContact CD1-CE2 3.46Å; L50-Y152 VanDerWaalsContact CD1-CE2 3.46Å; L50-Y152 HydrophobicContact CD1-CG 4.36Å
51L93.2Very high89.6Confident88 Ų8890.3 Ų90.346%0.46145%0.448SS..  trans-93.6159.3172.5-58.8-179.4000109.9D53 D54 F55L51-D53 PolarHBondContact O-N 3.08Å; L51-D54 PolarHBondContact N-OD2 3.1Å; L51-D54 VanDerWaalsContact O-CB 3.26Å; L51-D54 WeakPolarHBondContact O-CB 3.32Å; L51-D54 PolarHBondContact O-N 2.84Å; L51-F55 WeakPolarHBondContact O-CD2 3.16Å
52K93.6Very high89.9Confident155 Ų15594.9 Ų94.967%0.67447%0.467SS*.G310 helixtrans-56.6-34.7175.6-70.7-168.7172.3-1700112.7D54 F55K52-D54 PolarHBondContact O-N 3.24Å; K52-F55 PolarHBondContact O-N 3.42Å
53D94.8Very high90.3Very high116 Ų11691.7 Ų91.762%0.6245%0.451SS*.G310 helixtrans-65.4-24.3177.9-62.4-24.9000112.7L51 F55 K56 A57L51-D53 PolarHBondContact O-N 3.08Å; D53-F55 PolarHBondContact O-N 2.83Å; D53-K56 CarbonylContact O-C 3.47Å; D53-K56 PolarHBondContact O-N 3.48Å; D53-A57 WeakPolarHBondContact O-CB 3.46Å; D53-A57 PolarHBondContact O-N 3.09Å
54D96Very high90.5Very high12 Ų1287.8 Ų87.86%0.06444%0.436CS..G310 helixtrans-65.6-26.1178.2-63.5-30.4000112.1R47 L50 L51 K52 K56 M85 V86R47-D54 IonicContact CZ-OD1 3.11Å; R47-D54 IonicContact CZ-OD2 3.34Å; R47-D54 IonicContact NH2-OD1 3.23Å; R47-D54 PolarHBondContact NH2-OD1 2.92Å; R47-D54 IonicContact NH2-OD2 2.83Å; R47-D54 PolarHBondContact NH2-OD2 2.81Å; L50-D54 WeakPolarHBondContact CA-OD2 3.38Å; L50-D54 HydrophobicContact CD2-CB 4.43Å; L51-D54 PolarHBondContact N-OD2 3.1Å; L51-D54 VanDerWaalsContact O-CB 3.26Å; L51-D54 WeakPolarHBondContact O-CB 3.32Å; L51-D54 PolarHBondContact O-N 2.84Å; K52-D54 PolarHBondContact O-N 3.24Å; D54-K56 VanDerWaalsContact C-N 3.28Å; D54-M85 HydrophobicContact CB-CB 4.42Å; D54-V86 HydrophobicContact CB-CG2 4.06Å; D54-V86 WeakPolarHBondContact O-CG2 3.5Å
55F97.2Very high90.3Very high24 Ų2486.1 Ų86.111%0.10542%0.424CS..G310 helixtrans-79.4-9.1176.4-66.1-92000113.6L50 L51 K52 D53 C83 V86 L148 E149 Y152L50-F55 HydrophobicContact CB-CE2 4.21Å; L50-F55 HydrophobicContact CD1-CE2 4.45Å; L50-F55 HydrophobicContact CD1-CZ 4.17Å; L51-F55 WeakPolarHBondContact O-CD2 3.16Å; K52-F55 PolarHBondContact O-N 3.42Å; D53-F55 PolarHBondContact O-N 2.83Å; F55-C83 VanDerWaalsContact C-SG 3.53Å; F55-C83 PolarHBondContact O-SG 2.77Å; F55-V86 HydrophobicContact CD1-CG1 4.16Å; F55-V86 HydrophobicContact CD1-CG2 3.91Å; F55-V86 HydrophobicContact CD2-CG2 4.31Å; F55-V86 HydrophobicContact CE1-CG1 3.69Å; F55-V86 HydrophobicContact CE1-CG2 3.99Å; F55-V86 HydrophobicContact CE2-CG2 4.39Å; F55-V86 HydrophobicContact CG-CG2 4.07Å; F55-V86 HydrophobicContact CZ-CG1 4.27Å; F55-V86 HydrophobicContact CZ-CG2 4.24Å; F55-L148 HydrophobicContact CD1-CB 4.38Å; F55-L148 HydrophobicContact CD1-CD2 4Å; F55-L148 HydrophobicContact CD1-CG 3.83Å; F55-L148 HydrophobicContact CE1-CG 4.18Å; F55-E149 HydrophobicContact CD1-CB 4.03Å; F55-E149 HydrophobicContact CE1-CB 4.13Å; F55-E149 HydrophobicContact CE1-CG 4.39Å; F55-E149 HydrophobicContact CG-CB 4.47Å; F55-E149 HydrophobicContact CZ-CG 4.41Å; F55-Y152 HydrophobicContact CE1-CG 4.24Å; F55-Y152 AromaticContact CZ-CD1 3.93Å; F55-Y152 HydrophobicContact CZ-CD1 3.93Å; F55-Y152 HydrophobicContact CZ-CG 4.02Å
56K96.4Very high89.8Confident169 Ų16987 Ų8774%0.73543%0.43SS*.THydrogen-bonded Turntrans-114.2-15.5174.8-61.5-179.7-177.8177.20112.6D53 D54D53-K56 CarbonylContact O-C 3.47Å; D53-K56 PolarHBondContact O-N 3.48Å; D54-K56 VanDerWaalsContact C-N 3.28Å
57A96.3Very high89.1Confident36 Ų3688.8 Ų88.830%0.29844%0.438SS..  trans-61.5151.2-179.400000112.1D53 C83D53-A57 WeakPolarHBondContact O-CB 3.46Å; D53-A57 PolarHBondContact O-N 3.09Å; A57-C83 WeakPolarHBondContact O-CA 3.42Å; A57-C83 PolarHBondContact O-N 3.05Å
58Y96.8Very high88Confident141 Ų14189.9 Ų89.955%0.55345%0.447SS*.EExtended strand (participates in β ladder)trans-148.5158.2172.363.5-92.4000110.3K60 K80 E81Y58-K60 HydrophobicContact CD2-CB 4.13Å; Y58-K60 HydrophobicContact CE2-CB 4.23Å; Y58-K80 VanDerWaalsContact CB-CE 3.42Å; Y58-K80 HydrophobicContact CD2-CD 4.33Å; Y58-K80 HydrophobicContact CD2-CG 4.47Å; Y58-K80 VanDerWaalsContact CG-CE 3.4Å; Y58-E81 CarbonylContact C-O 3.52Å; Y58-E81 VanDerWaalsContact CA-O 3.28Å; Y58-E81 WeakPolarHBondContact CA-O 3.23Å; Y58-E81 WeakPolarHBondContact CB-O 2.94Å
59M96.1Very high87.1Confident32 Ų3287 Ų8716%0.15842%0.416CS..EExtended strand (participates in β ladder)trans-118.7127.9170.6174.1171.25300107.8Y36 S37 A40 K80 E81Y36-M59 HydrophobicContact CE1-CG 4.47Å; Y36-M59 HydrophobicContact CE1-SD 4.1Å; S37-M59 VanDerWaalsContact CA-CE 3.47Å; A40-M59 HydrophobicContact CB-CE 4.49Å; A40-M59 HydrophobicContact CB-SD 3.63Å; M59-K80 CarbonylContact O-C 3.58Å; M59-K80 WeakPolarHBondContact O-CA 3.42Å; M59-E81 HydrophobicContact CE-CB 4.29Å; M59-E81 WeakPolarHBondContact CE-OE2 3.07Å; M59-E81 PolarHBondContact N-O 3.14Å; M59-E81 PolarHBondContact O-N 2.73Å
60K96.3Very high85.9Confident112 Ų11286 Ų8649%0.48741%0.406SS..EExtended strand (participates in β ladder)trans-132.1134.6-178.2-178.8-174.9173.3-165.90109.9Y58 F79 K80Y58-K60 HydrophobicContact CD2-CB 4.13Å; Y58-K60 HydrophobicContact CE2-CB 4.23Å; K60-F79 CarbonylContact C-O 3.53Å; K60-F79 WeakPolarHBondContact CA-O 3.1Å; K60-K80 HydrophobicContact CB-CB 4.33Å; K60-K80 HydrophobicContact CB-CG 4.29Å; K60-K80 HydrophobicContact CG-CB 4.32Å
61V94.6Very high84.5Confident25 Ų2592.8 Ų92.815%0.15244%0.437CS..EExtended strand (participates in β ladder)trans-130.6137.3173.8620000109.7W32 Y36 V63 K78 F79W32-V61 HydrophobicContact CH2-CG1 3.79Å; W32-V61 HydrophobicContact CH2-CG2 4.1Å; W32-V61 HydrophobicContact CZ3-CG1 3.63Å; Y36-V61 HydrophobicContact CD1-CG1 3.99Å; Y36-V61 HydrophobicContact CE1-CB 3.96Å; Y36-V61 HydrophobicContact CE1-CG1 3.9Å; Y36-V61 HydrophobicContact CE1-CG2 4.44Å; Y36-V61 HydrophobicContact CE2-CG2 4.46Å; V61-V63 HydrophobicContact CG2-CG2 4.2Å; V61-K78 WeakPolarHBondContact O-CA 3.21Å; V61-F79 HydrophobicContact CG1-CB 3.81Å; V61-F79 HydrophobicContact CG1-CD1 4.23Å; V61-F79 PolarHBondContact N-O 2.96Å; V61-F79 PolarHBondContact O-N 3.09Å
62K94.1Very high83.3Confident117 Ų11790.1 Ų90.151%0.50942%0.423SS..EExtended strand (participates in β ladder)trans-115.5122.2175.2178.6-178-178.9-171.10107.3K78K62-K78 HydrophobicContact CB-CG 4.29Å; K62-K78 HydrophobicContact CG-CG 4.11Å
63V89.6Confident82.7Confident21 Ų2183.3 Ų83.313%0.12739%0.394CS..EExtended strand (participates in β ladder)trans-110.9123.6-179.71800000108.5W32 V61 N65 R76 F77W32-V63 HydrophobicContact CH2-CG2 3.53Å; W32-V63 HydrophobicContact CZ2-CG2 3.87Å; W32-V63 HydrophobicContact CZ3-CG2 4.18Å; V61-V63 HydrophobicContact CG2-CG2 4.2Å; V63-N65 VanDerWaalsContact CG1-OD1 3.25Å; V63-N65 WeakPolarHBondContact CG1-OD1 3.39Å; V63-R76 WeakPolarHBondContact O-CA 3.44Å; V63-F77 HydrophobicContact CB-CD1 4.08Å; V63-F77 HydrophobicContact CB-CD2 4.31Å; V63-F77 HydrophobicContact CB-CE1 3.6Å; V63-F77 HydrophobicContact CB-CE2 3.85Å; V63-F77 HydrophobicContact CB-CG 4.42Å; V63-F77 HydrophobicContact CB-CZ 3.48Å; V63-F77 VanDerWaalsContact CB-CZ 3.48Å; V63-F77 HydrophobicContact CG1-CD1 4.35Å; V63-F77 HydrophobicContact CG1-CE1 3.58Å; V63-F77 HydrophobicContact CG1-CZ 3.7Å; V63-F77 HydrophobicContact CG2-CD2 4.42Å; V63-F77 HydrophobicContact CG2-CE1 4.19Å; V63-F77 HydrophobicContact CG2-CE2 3.65Å; V63-F77 HydrophobicContact CG2-CZ 3.52Å; V63-F77 PolarHBondContact N-O 3.48Å; V63-F77 PolarHBondContact O-N 3.01Å; V63-F77 VanDerWaalsContact O-N 3.11Å
64N86.1Confident82.2Confident85 Ų8578.6 Ų78.646%0.45537%0.369SS..EExtended strand (participates in β ladder)trans-122.392176-57-34.5000108.4H66 S75 R76N64-H66 PolarHBondContact O-N 3.31Å; N64-S75 CarbonylContact C-O 3.52Å; N64-R76 PolarHBondContact ND2-NH1 2.88Å; N64-R76 PolarHBondContact OD1-NH1 3.32Å
65N78.7Confident81.6Confident35 Ų3580.3 Ų80.319%0.18738%0.382CS..  trans-86.1104.7178.3-66.4-22000109.9V63 F68 S75V63-N65 VanDerWaalsContact CG1-OD1 3.25Å; V63-N65 WeakPolarHBondContact CG1-OD1 3.39Å; N65-F68 WeakPolarHBondContact CB-O 3.41Å; N65-S75 PolarHBondContact N-O 2.91Å
66H67.5Low81.2Confident160 Ų16085.1 Ų85.174%0.74140%0.4SS*.SBendtrans-86.1109170.3-164.1-102.4000109.3N64 F68N64-H66 PolarHBondContact O-N 3.31Å; H66-F68 PolarHBondContact O-N 2.91Å
67H60.7Low81.1Confident137 Ų13777.3 Ų77.363%0.63437%0.366SS*.SBendtrans60.57.9178.1-64.676.5000117.1
68F58.9Low81.1Confident134 Ų13478.2 Ų78.259%0.58836%0.363SS*.SBendtrans-105.6134.5176-174-107.2000111.1N65 H66 K70N65-F68 WeakPolarHBondContact CB-O 3.41Å; H66-F68 PolarHBondContact O-N 2.91Å; F68-K70 VanDerWaalsContact C-N 3.27Å; F68-K70 PolarHBondContact O-N 3.42Å; F68-K70 VanDerWaalsContact O-N 3.13Å
69N61.5Low81.1Confident45 Ų4571.5 Ų71.524%0.24134%0.337CS..SBendtrans56.728.1169.9-156.231.7000116.6E71 N72 M73N69-E71 PolarHBondContact O-N 2.7Å; N69-N72 PolarHBondContact O-N 3.06Å; N69-N72 VanDerWaalsContact O-N 3.15Å; N69-N72 WeakPolarHBondContact OD1-CB 3.45Å; N69-N72 PolarHBondContact OD1-ND2 3.35Å; N69-M73 PolarHBondContact O-N 3.46Å; N69-M73 VanDerWaalsContact O-N 3.15Å
70K63.7Low81.2Confident119 Ų11971.5 Ų71.552%0.51734%0.336SS..THydrogen-bonded Turntrans-58.2-29-177.3-75.3-172.1172.6176.10114F68F68-K70 VanDerWaalsContact C-N 3.27Å; F68-K70 PolarHBondContact O-N 3.42Å; F68-K70 VanDerWaalsContact O-N 3.13Å
71E63.4Low81.3Confident185 Ų18566.1 Ų66.186%0.86431%0.312SS*.THydrogen-bonded Turntrans-75.7-24.6-178.4-63.7178.3177.900113N69N69-E71 PolarHBondContact O-N 2.7Å
72N67.1Low81.5Confident33 Ų3366 Ų6618%0.17631%0.309CS..THydrogen-bonded Turntrans-113.9-25.4-169-52.4-68.1000113.6L19 R21 N69L19-N72 HydrophobicContact CD2-CB 4Å; R21-N72 HydrophobicContact CG-CB 4.43Å; R21-N72 PolarHBondContact NE-OD1 2.57Å; N69-N72 PolarHBondContact O-N 3.06Å; N69-N72 VanDerWaalsContact O-N 3.15Å; N69-N72 WeakPolarHBondContact OD1-CB 3.45Å; N69-N72 PolarHBondContact OD1-ND2 3.35Å
73M81.6Confident81.7Confident11 Ų1160.4 Ų60.45%0.05429%0.285CS..SBendtrans-136.2143.4179.7-72.8-68.1-69.400109.9V29 W32 N69 S75 F77V29-M73 HydrophobicContact CG2-CE 3.88Å; W32-M73 HydrophobicContact CB-CE 3.65Å; W32-M73 HydrophobicContact CB-SD 4.25Å; W32-M73 HydrophobicContact CD2-CE 4.29Å; W32-M73 HydrophobicContact CG-CE 3.72Å; N69-M73 PolarHBondContact O-N 3.46Å; N69-M73 VanDerWaalsContact O-N 3.15Å; M73-S75 PolarHBondContact O-N 3.07Å; M73-F77 HydrophobicContact CB-CE1 4.39Å; M73-F77 HydrophobicContact CE-CD1 4.17Å; M73-F77 HydrophobicContact CE-CE1 3.44Å; M73-F77 VanDerWaalsContact CE-CE1 3.44Å; M73-F77 HydrophobicContact CE-CE2 3.91Å; M73-F77 HydrophobicContact CE-CZ 3.27Å
74P83.2Confident82Confident17 Ų1760 Ų6011%0.1128%0.283CS..  trans-54.6141.8171.217.8-26.6000110.6P25 V29 R76 F77 V175P25-P74 HydrophobicContact CB-CB 4.45Å; P25-P74 HydrophobicContact CB-CG 4.07Å; V29-P74 HydrophobicContact CG2-CG 3.49Å; V29-P74 VanDerWaalsContact CG2-CG 3.49Å; P74-R76 PolarHBondContact O-N 2.71Å; P74-F77 HydrophobicContact CG-CB 4.22Å; P74-F77 HydrophobicContact CG-CD1 4Å; P74-F77 HydrophobicContact CG-CG 4.37Å; P74-F77 VanDerWaalsContact O-CD1 3.3Å; P74-F77 WeakPolarHBondContact O-CD1 3.5Å; P74-V175 HydrophobicContact CB-CG1 3.95Å; P74-V175 HydrophobicContact CG-CG1 3.81Å
75S83.9Confident82.4Confident48 Ų4856.9 Ų56.934%0.33627%0.266SS..SBendtrans-64.6-31.2-175.5-56.20000112.7N64 N65 M73N64-S75 CarbonylContact C-O 3.52Å; N65-S75 PolarHBondContact N-O 2.91Å; M73-S75 PolarHBondContact O-N 3.07Å
76R89.7Confident83.3Confident126 Ų12655.2 Ų55.248%0.47526%0.257SS..EExtended strand (participates in β ladder)trans-130.8122.8176-173.1-178-60.1-9113.5109.2V63 N64 P74V63-R76 WeakPolarHBondContact O-CA 3.44Å; N64-R76 PolarHBondContact ND2-NH1 2.88Å; N64-R76 PolarHBondContact OD1-NH1 3.32Å; P74-R76 PolarHBondContact O-N 2.71Å
77F93.8Very high84.7Confident4 Ų447.6 Ų47.62%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-150.4161.2171.664.6-87.9000111.4V29 W32 V63 M73 P74 T174 V175V29-F77 HydrophobicContact CB-CD2 4.34Å; V29-F77 HydrophobicContact CG1-CB 4.31Å; V29-F77 HydrophobicContact CG1-CD2 3.59Å; V29-F77 HydrophobicContact CG1-CE2 4.23Å; V29-F77 HydrophobicContact CG1-CG 4.18Å; V29-F77 HydrophobicContact CG2-CB 3.87Å; V29-F77 HydrophobicContact CG2-CD1 4.14Å; V29-F77 HydrophobicContact CG2-CD2 3.81Å; V29-F77 HydrophobicContact CG2-CE2 4.38Å; V29-F77 HydrophobicContact CG2-CG 3.67Å; W32-F77 AromaticContact CD2-CE2 3.96Å; W32-F77 HydrophobicContact CD2-CE2 3.96Å; W32-F77 AromaticContact CD2-CZ 3.96Å; W32-F77 HydrophobicContact CD2-CZ 3.96Å; W32-F77 AromaticContact CE3-CE2 3.48Å; W32-F77 HydrophobicContact CE3-CE2 3.48Å; W32-F77 VanDerWaalsContact CE3-CE2 3.48Å; W32-F77 AromaticContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CH2-CE2 4.16Å; W32-F77 HydrophobicContact CH2-CZ 4.4Å; W32-F77 HydrophobicContact CZ2-CZ 4.37Å; W32-F77 AromaticContact CZ3-CE2 3.6Å; W32-F77 HydrophobicContact CZ3-CE2 3.6Å; W32-F77 HydrophobicContact CZ3-CZ 4.2Å; V63-F77 HydrophobicContact CB-CD1 4.08Å; V63-F77 HydrophobicContact CB-CD2 4.31Å; V63-F77 HydrophobicContact CB-CE1 3.6Å; V63-F77 HydrophobicContact CB-CE2 3.85Å; V63-F77 HydrophobicContact CB-CG 4.42Å; V63-F77 HydrophobicContact CB-CZ 3.48Å; V63-F77 VanDerWaalsContact CB-CZ 3.48Å; V63-F77 HydrophobicContact CG1-CD1 4.35Å; V63-F77 HydrophobicContact CG1-CE1 3.58Å; V63-F77 HydrophobicContact CG1-CZ 3.7Å; V63-F77 HydrophobicContact CG2-CD2 4.42Å; V63-F77 HydrophobicContact CG2-CE1 4.19Å; V63-F77 HydrophobicContact CG2-CE2 3.65Å; V63-F77 HydrophobicContact CG2-CZ 3.52Å; V63-F77 PolarHBondContact N-O 3.48Å; V63-F77 PolarHBondContact O-N 3.01Å; V63-F77 VanDerWaalsContact O-N 3.11Å; M73-F77 HydrophobicContact CB-CE1 4.39Å; M73-F77 HydrophobicContact CE-CD1 4.17Å; M73-F77 HydrophobicContact CE-CE1 3.44Å; M73-F77 VanDerWaalsContact CE-CE1 3.44Å; M73-F77 HydrophobicContact CE-CE2 3.91Å; M73-F77 HydrophobicContact CE-CZ 3.27Å; P74-F77 HydrophobicContact CG-CB 4.22Å; P74-F77 HydrophobicContact CG-CD1 4Å; P74-F77 HydrophobicContact CG-CG 4.37Å; P74-F77 VanDerWaalsContact O-CD1 3.3Å; P74-F77 WeakPolarHBondContact O-CD1 3.5Å; F77-T174 CarbonylContact C-O 3.55Å; F77-T174 WeakPolarHBondContact CA-O 3.39Å; F77-T174 VanDerWaalsContact CB-O 3.28Å; F77-T174 WeakPolarHBondContact CB-O 3.37Å; F77-V175 HydrophobicContact CB-CG2 4.4Å
78K95.9Very high86.3Confident56 Ų5643.3 Ų43.324%0.24320%0.201CC..EExtended strand (participates in β ladder)trans-124.9141.2172.8-51.7169.8-174.7164.80108.7V61 K62 T174V61-K78 WeakPolarHBondContact O-CA 3.21Å; K62-K78 HydrophobicContact CB-CG 4.29Å; K62-K78 HydrophobicContact CG-CG 4.11Å; K78-T174 HydrophobicContact CD-CG2 4.32Å; K78-T174 PolarHBondContact N-O 2.94Å; K78-T174 PolarHBondContact O-N 2.84Å
79F97.5Very high88.1Confident0 Ų037.7 Ų37.70%018%0.178CC..EExtended strand (participates in β ladder)trans-122.8131.4170.7174.7-93.3000108.4W32 G33 K60 V61 E81 Y171 L173W32-F79 HydrophobicContact CZ3-CB 4.28Å; G33-F79 VanDerWaalsContact CA-CD2 3.42Å; G33-F79 VanDerWaalsContact CA-CE2 3.47Å; G33-F79 WeakPolarHBondContact O-CE1 3.46Å; G33-F79 WeakPolarHBondContact O-CZ 3.5Å; K60-F79 CarbonylContact C-O 3.53Å; K60-F79 WeakPolarHBondContact CA-O 3.1Å; V61-F79 HydrophobicContact CG1-CB 3.81Å; V61-F79 HydrophobicContact CG1-CD1 4.23Å; V61-F79 PolarHBondContact N-O 2.96Å; V61-F79 PolarHBondContact O-N 3.09Å; F79-E81 HydrophobicContact CE1-CB 4Å; F79-E81 HydrophobicContact CZ-CB 4.26Å; F79-Y171 HydrophobicContact CE1-CD1 4.45Å; F79-Y171 AromaticContact CE2-CD1 3.76Å; F79-Y171 HydrophobicContact CE2-CD1 3.76Å; F79-Y171 HydrophobicContact CE2-CE1 4.46Å; F79-Y171 HydrophobicContact CE2-CG 4.16Å; F79-Y171 AromaticContact CZ-CD1 3.42Å; F79-Y171 HydrophobicContact CZ-CD1 3.42Å; F79-Y171 VanDerWaalsContact CZ-CD1 3.42Å; F79-Y171 AromaticContact CZ-CE1 3.85Å; F79-Y171 HydrophobicContact CZ-CE1 3.85Å; F79-Y171 HydrophobicContact CZ-CG 4.28Å; F79-L173 HydrophobicContact CD2-CD2 3.38Å; F79-L173 HydrophobicContact CE2-CD2 3.82Å; F79-L173 HydrophobicContact CG-CD2 4.49Å
80K98.1Very high89.7Confident31 Ų3135.5 Ų35.514%0.13517%0.167CC..EExtended strand (participates in β ladder)trans-130.7127.4173.4178.9177.5179.5175.20109.4Y58 M59 K60 Y82 Y171 R172Y58-K80 VanDerWaalsContact CB-CE 3.42Å; Y58-K80 HydrophobicContact CD2-CD 4.33Å; Y58-K80 HydrophobicContact CD2-CG 4.47Å; Y58-K80 VanDerWaalsContact CG-CE 3.4Å; M59-K80 CarbonylContact O-C 3.58Å; M59-K80 WeakPolarHBondContact O-CA 3.42Å; K60-K80 HydrophobicContact CB-CB 4.33Å; K60-K80 HydrophobicContact CB-CG 4.29Å; K60-K80 HydrophobicContact CG-CB 4.32Å; K80-Y82 HydrophobicContact CD-CE1 4.05Å; K80-Y82 HydrophobicContact CD-CE2 4.24Å; K80-Y82 VanDerWaalsContact CE-CE1 3.4Å; K80-Y82 HydrophobicContact CG-CE2 4.29Å; K80-Y171 CarbonylContact O-C 3.57Å; K80-Y171 VanDerWaalsContact O-CA 3.26Å; K80-Y171 WeakPolarHBondContact O-CA 3.46Å; K80-R172 HydrophobicContact CB-CB 4.23Å; K80-R172 PolarHBondContact N-O 3.33Å; K80-R172 PolarHBondContact O-N 2.82Å
81E98.2Very high91.3Very high0 Ų030.3 Ų30.30%014%0.144CC..EExtended strand (participates in β ladder)trans-104.2131.3168.1-179.2173-14900109.1S37 Y58 M59 F79 P84 Y171S37-E81 WeakPolarHBondContact CB-OE2 3.45Å; S37-E81 PolarHBondContact OG-OE1 2.91Å; S37-E81 PolarHBondContact OG-OE2 2.98Å; Y58-E81 CarbonylContact C-O 3.52Å; Y58-E81 VanDerWaalsContact CA-O 3.28Å; Y58-E81 WeakPolarHBondContact CA-O 3.23Å; Y58-E81 WeakPolarHBondContact CB-O 2.94Å; M59-E81 HydrophobicContact CE-CB 4.29Å; M59-E81 WeakPolarHBondContact CE-OE2 3.07Å; M59-E81 PolarHBondContact N-O 3.14Å; M59-E81 PolarHBondContact O-N 2.73Å; F79-E81 HydrophobicContact CE1-CB 4Å; F79-E81 HydrophobicContact CZ-CB 4.26Å; E81-P84 HydrophobicContact CG-CB 4.11Å; E81-Y171 HydrophobicContact CB-CD1 3.94Å; E81-Y171 HydrophobicContact CB-CE1 4.07Å; E81-Y171 HydrophobicContact CG-CD1 3.94Å; E81-Y171 HydrophobicContact CG-CE1 3.66Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.34Å
82Y98.4Very high92.7Very high21 Ų2125.5 Ų25.58%0.08212%0.124CC..EExtended strand (participates in β ladder)trans-93.4141.2176.7-64.7-92.8000110.1K80 F87 H145 L170 R172K80-Y82 HydrophobicContact CD-CE1 4.05Å; K80-Y82 HydrophobicContact CD-CE2 4.24Å; K80-Y82 VanDerWaalsContact CE-CE1 3.4Å; K80-Y82 HydrophobicContact CG-CE2 4.29Å; Y82-F87 WeakPolarHBondContact O-CD2 3.45Å; Y82-F87 WeakPolarHBondContact O-CE2 3.38Å; Y82-H145 AromaticContact CD1-CE1 3.72Å; Y82-H145 AromaticContact CD1-NE2 3.14Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.48Å; Y82-H145 AromaticContact CE1-NE2 3.72Å; Y82-H145 AromaticContact CG-NE2 3.75Å; Y82-L170 HydrophobicContact CD2-CD2 4.19Å; Y82-L170 HydrophobicContact CD2-CG 3.84Å; Y82-L170 HydrophobicContact CG-CD2 4.18Å; Y82-L170 HydrophobicContact CG-CG 4.26Å; Y82-L170 PolarHBondContact N-O 3.16Å; Y82-R172 HydrophobicContact CE2-CB 3.73Å
83C97.5Very high94Very high0 Ų028.7 Ų28.70%013%0.134CC..SBendtrans46.251174.2-47.80000114.1F55 A57 M85 V86 F87 H145 L148F55-C83 VanDerWaalsContact C-SG 3.53Å; F55-C83 PolarHBondContact O-SG 2.77Å; A57-C83 WeakPolarHBondContact O-CA 3.42Å; A57-C83 PolarHBondContact O-N 3.05Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 3.12Å; C83-M85 VanDerWaalsContact O-N 3.17Å; C83-V86 HydrophobicContact CB-CB 3.9Å; C83-V86 HydrophobicContact CB-CG2 3.84Å; C83-V86 WeakPolarHBondContact O-CB 3.49Å; C83-V86 PolarHBondContact O-N 3.06Å; C83-F87 HydrophobicContact CB-CD2 4.15Å; C83-F87 HydrophobicContact CB-CE2 4.14Å; C83-F87 WeakPolarHBondContact O-CD2 3.19Å; C83-F87 PolarHBondContact O-N 3.41Å; C83-H145 VanDerWaalsContact SG-CE1 3.53Å; C83-L148 HydrophobicContact CB-CD2 3.76Å; C83-L148 VanDerWaalsContact SG-CD2 3.54Å
84P96.5Very high94.7Very high13 Ų1328.9 Ų28.98%0.08413%0.134CC..Hα-helixtrans-59.6-36-167.423.8-35000113.3L41 E81 K88L41-P84 HydrophobicContact CD1-CB 4.26Å; L41-P84 HydrophobicContact CD2-CB 4.01Å; E81-P84 HydrophobicContact CG-CB 4.11Å; P84-K88 VanDerWaalsContact O-CB 3.25Å; P84-K88 WeakPolarHBondContact O-CB 3.42Å; P84-K88 PolarHBondContact O-N 3.11Å
85M95.1Very high95.2Very high19 Ų1930.2 Ų30.29%0.09415%0.151CC..Hα-helixtrans-70.5-34.3176.7-63.7-53.1-65.400112.6L41 V44 L50 D54 C83 K88 S89L41-M85 HydrophobicContact CD2-SD 4.05Å; V44-M85 HydrophobicContact CG1-CE 4.33Å; V44-M85 HydrophobicContact CG1-SD 4.05Å; L50-M85 HydrophobicContact CD2-CB 4.06Å; D54-M85 HydrophobicContact CB-CB 4.42Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 3.12Å; C83-M85 VanDerWaalsContact O-N 3.17Å; M85-K88 HydrophobicContact CE-CD 4.46Å; M85-S89 PolarHBondContact O-N 3.36Å
86V96.9Very high95.8Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-67.1-50.5176.9-174.90000109.9L50 D54 F55 C83 K88 S89 L90 L148 Y152L50-V86 HydrophobicContact CD1-CB 4.36Å; L50-V86 HydrophobicContact CD1-CG1 4.3Å; L50-V86 HydrophobicContact CD1-CG2 4.2Å; D54-V86 HydrophobicContact CB-CG2 4.06Å; D54-V86 WeakPolarHBondContact O-CG2 3.5Å; F55-V86 HydrophobicContact CD1-CG1 4.16Å; F55-V86 HydrophobicContact CD1-CG2 3.91Å; F55-V86 HydrophobicContact CD2-CG2 4.31Å; F55-V86 HydrophobicContact CE1-CG1 3.69Å; F55-V86 HydrophobicContact CE1-CG2 3.99Å; F55-V86 HydrophobicContact CE2-CG2 4.39Å; F55-V86 HydrophobicContact CG-CG2 4.07Å; F55-V86 HydrophobicContact CZ-CG1 4.27Å; F55-V86 HydrophobicContact CZ-CG2 4.24Å; C83-V86 HydrophobicContact CB-CB 3.9Å; C83-V86 HydrophobicContact CB-CG2 3.84Å; C83-V86 WeakPolarHBondContact O-CB 3.49Å; C83-V86 PolarHBondContact O-N 3.06Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 3.27Å; V86-S89 PolarHBondContact O-N 2.81Å; V86-S89 VanDerWaalsContact O-N 3.12Å; V86-L90 HydrophobicContact CG1-CD1 4.3Å; V86-L90 WeakPolarHBondContact O-CG 3.46Å; V86-L90 PolarHBondContact O-N 2.63Å; V86-L148 HydrophobicContact CB-CD2 4.48Å; V86-L148 HydrophobicContact CG1-CD1 4.01Å; V86-L148 HydrophobicContact CG1-CD2 4.12Å; V86-L148 HydrophobicContact CG1-CG 4.08Å; V86-Y152 HydrophobicContact CG1-CD2 4.14Å
87F97.2Very high95.9Very high0 Ų028.4 Ų28.40%014%0.143CC..Hα-helixtrans-67.5-33178.1-74.3-71000113Y82 C83 L90 R91 M144 L148 F167 L170Y82-F87 WeakPolarHBondContact O-CD2 3.45Å; Y82-F87 WeakPolarHBondContact O-CE2 3.38Å; C83-F87 HydrophobicContact CB-CD2 4.15Å; C83-F87 HydrophobicContact CB-CE2 4.14Å; C83-F87 WeakPolarHBondContact O-CD2 3.19Å; C83-F87 PolarHBondContact O-N 3.41Å; F87-L90 HydrophobicContact CD1-CD1 3.93Å; F87-L90 HydrophobicContact CE1-CD1 4.23Å; F87-L90 PolarHBondContact O-N 3.03Å; F87-R91 WeakPolarHBondContact O-CG 3.16Å; F87-R91 PolarHBondContact O-N 2.8Å; F87-M144 HydrophobicContact CE1-CE 4.42Å; F87-M144 HydrophobicContact CZ-CE 4.21Å; F87-L148 HydrophobicContact CZ-CD1 4.26Å; F87-F167 HydrophobicContact CE1-CB 3.95Å; F87-L170 HydrophobicContact CE2-CB 3.59Å; F87-L170 HydrophobicContact CZ-CB 3.61Å
88K95.1Very high95.8Very high47 Ų4731.9 Ų31.920%0.20416%0.159CC..Hα-helixtrans-57.4-50.1167.8-176.3-174.7179.2-64.40110.9Q46 P84 M85 V86 L90 R91 D92Q46-K88 VanDerWaalsContact CD-NZ 3.35Å; P84-K88 VanDerWaalsContact O-CB 3.25Å; P84-K88 WeakPolarHBondContact O-CB 3.42Å; P84-K88 PolarHBondContact O-N 3.11Å; M85-K88 HydrophobicContact CE-CD 4.46Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 3.27Å; K88-L90 VanDerWaalsContact C-N 3.33Å; K88-L90 PolarHBondContact O-N 3.32Å; K88-R91 PolarHBondContact O-N 3.44Å; K88-D92 IonicContact NZ-OD2 2.97Å; K88-D92 PolarHBondContact NZ-OD2 2.83Å; K88-D92 VanDerWaalsContact NZ-OD2 3.11Å; K88-D92 VanDerWaalsContact O-CG 3.32Å; K88-D92 PolarHBondContact O-N 3.01Å; K88-D92 VanDerWaalsContact O-N 3.09Å
89S94.8Very high95.7Very high16 Ų1634.7 Ų34.711%0.11217%0.174CC..Hα-helixtrans-66.3-33.1179.2-174.50000113M85 V86 D92 R93 Y152M85-S89 PolarHBondContact O-N 3.36Å; V86-S89 PolarHBondContact O-N 2.81Å; V86-S89 VanDerWaalsContact O-N 3.12Å; S89-D92 PolarHBondContact O-N 2.79Å; S89-R93 VanDerWaalsContact O-CG 3.31Å; S89-R93 WeakPolarHBondContact O-CG 3.05Å; S89-R93 PolarHBondContact O-N 3.33Å; S89-Y152 PolarHBondContact OG-OH 3.43Å
90L97Very high95.5Very high0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-64.7-45.2173.7-75.7170000111.1V86 F87 K88 D92 R93 F94 L148 Y151 Y152 I155V86-L90 HydrophobicContact CG1-CD1 4.3Å; V86-L90 WeakPolarHBondContact O-CG 3.46Å; V86-L90 PolarHBondContact O-N 2.63Å; F87-L90 HydrophobicContact CD1-CD1 3.93Å; F87-L90 HydrophobicContact CE1-CD1 4.23Å; F87-L90 PolarHBondContact O-N 3.03Å; K88-L90 VanDerWaalsContact C-N 3.33Å; K88-L90 PolarHBondContact O-N 3.32Å; L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.23Å; L90-R93 PolarHBondContact O-N 3.24Å; L90-R93 VanDerWaalsContact O-N 3.11Å; L90-F94 HydrophobicContact CB-CD2 4.28Å; L90-F94 HydrophobicContact CB-CE2 3.99Å; L90-F94 HydrophobicContact CD2-CE2 4.05Å; L90-F94 HydrophobicContact CD2-CZ 4.25Å; L90-F94 WeakPolarHBondContact O-CD2 3.3Å; L90-F94 WeakPolarHBondContact O-CG 3.31Å; L90-F94 PolarHBondContact O-N 3.36Å; L90-L148 HydrophobicContact CD1-CD1 4.34Å; L90-Y151 HydrophobicContact CD1-CD1 4.34Å; L90-Y151 HydrophobicContact CD1-CE1 4Å; L90-Y151 HydrophobicContact CD2-CD1 4.38Å; L90-Y151 HydrophobicContact CD2-CE1 3.93Å; L90-Y152 HydrophobicContact CD2-CD2 3.84Å; L90-Y152 HydrophobicContact CG-CD2 4.06Å; L90-I155 HydrophobicContact CD2-CB 4.24Å; L90-I155 HydrophobicContact CD2-CG1 4.23Å; L90-I155 HydrophobicContact CD2-CG2 4.07Å
91R96.2Very high95.4Very high9 Ų936.9 Ų36.93%0.03419%0.187CC..Hα-helixtrans-55.5-47173.8-75-175.4-68-131.7-0.5111.6F87 K88 R93 F94 G95 V96 Y101 L168F87-R91 WeakPolarHBondContact O-CG 3.16Å; F87-R91 PolarHBondContact O-N 2.8Å; K88-R91 PolarHBondContact O-N 3.44Å; R91-R93 VanDerWaalsContact C-N 3.29Å; R91-R93 PolarHBondContact O-N 2.66Å; R91-F94 PolarHBondContact O-N 3.22Å; R91-G95 PolarHBondContact O-N 3.14Å; R91-V96 HydrophobicContact CB-CB 4.12Å; R91-V96 HydrophobicContact CB-CG1 4.45Å; R91-V96 HydrophobicContact CG-CB 4.35Å; R91-V96 HydrophobicContact CG-CG1 4.3Å; R91-V96 PolarHBondContact O-N 2.94Å; R91-Y101 VanDerWaalsContact NH1-CE1 3.33Å; R91-L168 HydrophobicContact CG-CB 4.06Å; R91-L168 HydrophobicContact CG-CD2 4.04Å; R91-L168 PolarHBondContact NH1-O 2.79Å
92D93.8Very high95.2Very high84 Ų8439.8 Ų39.845%0.44920%0.198SC..Hα-helixtrans-59.4-39.9177.5-63.3-21000111.1K88 S89 L90 G95K88-D92 IonicContact NZ-OD2 2.97Å; K88-D92 PolarHBondContact NZ-OD2 2.83Å; K88-D92 VanDerWaalsContact NZ-OD2 3.11Å; K88-D92 VanDerWaalsContact O-CG 3.32Å; K88-D92 PolarHBondContact O-N 3.01Å; K88-D92 VanDerWaalsContact O-N 3.09Å; S89-D92 PolarHBondContact O-N 2.79Å; L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.23Å; D92-G95 PolarHBondContact O-N 3.44Å
93R94.2Very high95Very high101 Ų10140.2 Ų40.238%0.38120%0.202SC..Hα-helixtrans-72.9-28.7178.2-72.4176.8-173.8-69.9-5.1114.3S89 L90 R91 G95 Y152 I155S89-R93 VanDerWaalsContact O-CG 3.31Å; S89-R93 WeakPolarHBondContact O-CG 3.05Å; S89-R93 PolarHBondContact O-N 3.33Å; L90-R93 PolarHBondContact O-N 3.24Å; L90-R93 VanDerWaalsContact O-N 3.11Å; R91-R93 VanDerWaalsContact C-N 3.29Å; R91-R93 PolarHBondContact O-N 2.66Å; R93-G95 VanDerWaalsContact C-N 3.29Å; R93-Y152 PolarHBondContact NE-OH 3.5Å; R93-Y152 PolarHBondContact NH2-OH 2.94Å; R93-I155 HydrophobicContact CB-CG2 4.29Å
94F95.8Very high94.8Very high14 Ų1440.3 Ų40.36%0.06120%0.203CC..THydrogen-bonded Turntrans-87.75.3177-64.8-46.1000113.7L90 R91 V96 Y151 I155 Q166 L168 R186L90-F94 HydrophobicContact CB-CD2 4.28Å; L90-F94 HydrophobicContact CB-CE2 3.99Å; L90-F94 HydrophobicContact CD2-CE2 4.05Å; L90-F94 HydrophobicContact CD2-CZ 4.25Å; L90-F94 WeakPolarHBondContact O-CD2 3.3Å; L90-F94 WeakPolarHBondContact O-CG 3.31Å; L90-F94 PolarHBondContact O-N 3.36Å; R91-F94 PolarHBondContact O-N 3.22Å; F94-V96 HydrophobicContact CB-CG2 4.15Å; F94-V96 PolarHBondContact O-N 2.91Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.23Å; F94-I155 HydrophobicContact CD1-CG2 4.43Å; F94-I155 HydrophobicContact CE1-CD1 3.85Å; F94-I155 HydrophobicContact CE1-CG1 4.2Å; F94-I155 HydrophobicContact CE1-CG2 3.59Å; F94-I155 HydrophobicContact CZ-CB 4.43Å; F94-I155 HydrophobicContact CZ-CD1 3.78Å; F94-I155 HydrophobicContact CZ-CG1 3.81Å; F94-I155 HydrophobicContact CZ-CG2 3.71Å; F94-Q166 HydrophobicContact CD1-CB 4.21Å; F94-Q166 VanDerWaalsContact CD1-CD 3.42Å; F94-Q166 HydrophobicContact CD1-CG 3.67Å; F94-Q166 HydrophobicContact CD2-CB 3.9Å; F94-Q166 HydrophobicContact CD2-CG 4.28Å; F94-Q166 HydrophobicContact CE1-CB 4.16Å; F94-Q166 HydrophobicContact CE1-CG 3.6Å; F94-Q166 HydrophobicContact CE2-CB 3.83Å; F94-Q166 HydrophobicContact CE2-CG 4.21Å; F94-Q166 HydrophobicContact CG-CB 4.1Å; F94-Q166 HydrophobicContact CG-CG 4.03Å; F94-Q166 HydrophobicContact CZ-CB 3.97Å; F94-Q166 HydrophobicContact CZ-CG 3.88Å; F94-L168 HydrophobicContact CD2-CD2 3.67Å; F94-L168 HydrophobicContact CE2-CD2 4.4Å; F94-R186 PolarHBondContact O-NH2 3.46Å
95G94.5Very high94.7Very high45 Ų4539.8 Ų39.846%0.46420%0.199SC..THydrogen-bonded Turntrans62.931-176.400000112.7R91 D92 R93R91-G95 PolarHBondContact O-N 3.14Å; D92-G95 PolarHBondContact O-N 3.44Å; R93-G95 VanDerWaalsContact C-N 3.29Å
96V94.9Very high94.5Very high8 Ų839 Ų395%0.04820%0.195CC..  trans-91.9106.3174.7175.80000108.3R91 F94 Y101 F131 L168R91-V96 HydrophobicContact CB-CB 4.12Å; R91-V96 HydrophobicContact CB-CG1 4.45Å; R91-V96 HydrophobicContact CG-CB 4.35Å; R91-V96 HydrophobicContact CG-CG1 4.3Å; R91-V96 PolarHBondContact O-N 2.94Å; F94-V96 HydrophobicContact CB-CG2 4.15Å; F94-V96 PolarHBondContact O-N 2.91Å; V96-Y101 HydrophobicContact CG1-CD2 4Å; V96-Y101 HydrophobicContact CG1-CG 4.36Å; V96-F131 HydrophobicContact CG1-CE1 4.07Å; V96-F131 HydrophobicContact CG1-CZ 3.77Å; V96-F131 HydrophobicContact CG2-CE1 4.18Å; V96-L168 HydrophobicContact CG2-CD1 4.22Å; V96-L168 HydrophobicContact CG2-CD2 3.98Å
97E92.5Very high94.1Very high128 Ų12845.4 Ų45.460%0.59822%0.219SC*.  trans-66142.8178.2-64.2-162.4179.700111.7M99 D100 Y101E97-M99 VanDerWaalsContact C-N 3.32Å; E97-M99 PolarHBondContact O-N 3.27Å; E97-D100 HydrophobicContact CB-CB 4.22Å; E97-D100 PolarHBondContact O-N 3.37Å; E97-Y101 PolarHBondContact O-N 2.94Å
98K92.5Very high93.8Very high78 Ų7850.3 Ų50.334%0.33924%0.242SC..Hα-helixtrans-55.2-47.6-179.7-179.7-167.7158.7-164.80111.5F38 N42 W102F38-K98 HydrophobicContact CD1-CD 4.36Å; F38-K98 HydrophobicContact CD1-CG 3.61Å; F38-K98 HydrophobicContact CE1-CB 4.31Å; F38-K98 HydrophobicContact CE1-CG 3.38Å; F38-K98 VanDerWaalsContact CE1-O 3.25Å; F38-K98 WeakPolarHBondContact CE1-O 3.26Å; N42-K98 PolarHBondContact ND2-NZ 3.27Å; N42-K98 WeakPolarHBondContact OD1-CE 3.44Å; N42-K98 PolarHBondContact OD1-NZ 3.33Å; K98-W102 WeakPolarHBondContact O-CB 3.41Å; K98-W102 PolarHBondContact O-N 2.8Å
99M93.3Very high93.6Very high114 Ų11450.8 Ų50.856%0.56225%0.245SC*.Hα-helixtrans-70.5-39.6-176.4-66.1-54.6-17800111.5E97 Y101 W102 D103E97-M99 VanDerWaalsContact C-N 3.32Å; E97-M99 PolarHBondContact O-N 3.27Å; M99-Y101 PolarHBondContact O-N 2.82Å; M99-W102 PolarHBondContact O-N 3.01Å; M99-D103 VanDerWaalsContact O-CB 3.25Å; M99-D103 WeakPolarHBondContact O-CB 3.12Å; M99-D103 PolarHBondContact O-N 2.77Å
100D93Very high93.5Very high78 Ų7850.1 Ų50.142%0.41724%0.24SC..Hα-helixtrans-62.1-45176.9-68.1-10.3000112E97 D103 S104E97-D100 HydrophobicContact CB-CB 4.22Å; E97-D100 PolarHBondContact O-N 3.37Å; D100-D103 PolarHBondContact O-N 2.78Å; D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.33Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 3.05Å
101Y95.7Very high93.1Very high0 Ų054.9 Ų54.90%027%0.265CS..Hα-helixtrans-61.6-47.8175.4-174-89.2000111.6I34 F38 R91 V96 E97 M99 D103 S104 F105 F131 L168 Y171 V184I34-Y101 HydrophobicContact CG2-CE1 4.2Å; F38-Y101 HydrophobicContact CE1-CD1 4.34Å; F38-Y101 AromaticContact CE2-CD1 3.73Å; F38-Y101 HydrophobicContact CE2-CD1 3.73Å; F38-Y101 AromaticContact CE2-CE1 3.9Å; F38-Y101 HydrophobicContact CE2-CE1 3.9Å; F38-Y101 AromaticContact CZ-CD1 3.35Å; F38-Y101 HydrophobicContact CZ-CD1 3.35Å; F38-Y101 AromaticContact CZ-CE1 3.97Å; F38-Y101 HydrophobicContact CZ-CE1 3.97Å; F38-Y101 HydrophobicContact CZ-CG 4.22Å; R91-Y101 VanDerWaalsContact NH1-CE1 3.33Å; V96-Y101 HydrophobicContact CG1-CD2 4Å; V96-Y101 HydrophobicContact CG1-CG 4.36Å; E97-Y101 PolarHBondContact O-N 2.94Å; M99-Y101 PolarHBondContact O-N 2.82Å; Y101-D103 PolarHBondContact O-N 3.05Å; Y101-S104 PolarHBondContact O-N 3.31Å; Y101-F105 HydrophobicContact CD1-CD2 4.31Å; Y101-F105 HydrophobicContact CD2-CE2 4.24Å; Y101-F105 HydrophobicContact CE1-CD2 4.05Å; Y101-F105 HydrophobicContact CE1-CE2 4.13Å; Y101-F105 HydrophobicContact CE2-CD2 4.32Å; Y101-F105 AromaticContact CE2-CE2 3.71Å; Y101-F105 HydrophobicContact CE2-CE2 3.71Å; Y101-F105 AromaticContact CZ-CE2 3.67Å; Y101-F105 WeakPolarHBondContact O-CD2 3.2Å; Y101-F105 PolarHBondContact O-N 2.85Å; Y101-F131 HydrophobicContact CD2-CD2 4.26Å; Y101-F131 HydrophobicContact CD2-CE1 4.29Å; Y101-F131 HydrophobicContact CD2-CE2 4.02Å; Y101-F131 HydrophobicContact CD2-CZ 4.04Å; Y101-L168 HydrophobicContact CD2-CB 4.45Å; Y101-L168 HydrophobicContact CD2-CD1 4.23Å; Y101-L168 HydrophobicContact CE2-CB 3.7Å; Y101-L168 HydrophobicContact CE2-CD1 4.01Å; Y101-Y171 PolarHBondContact OH-OH 2.84Å; Y101-V184 HydrophobicContact CE2-CG1 3.81Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.22Å
102W94.5Very high92.7Very high60 Ų6057 Ų5723%0.22727%0.273CS..Hα-helixtrans-62.7-43.5179.4176.188000112K18 N35 F38 K98 M99 F105 T106K18-W102 HydrophobicContact CD-CH2 4.36Å; K18-W102 HydrophobicContact CD-CZ2 4.46Å; N35-W102 PolarHBondContact OD1-NE1 3Å; F38-W102 HydrophobicContact CD1-CB 3.9Å; F38-W102 HydrophobicContact CD1-CG 4.37Å; F38-W102 HydrophobicContact CE1-CB 3.97Å; K98-W102 WeakPolarHBondContact O-CB 3.41Å; K98-W102 PolarHBondContact O-N 2.8Å; M99-W102 PolarHBondContact O-N 3.01Å; W102-F105 PolarHBondContact O-N 3.43Å; W102-T106 HydrophobicContact CD2-CG2 4.42Å; W102-T106 HydrophobicContact CG-CG2 4.39Å; W102-T106 VanDerWaalsContact O-CB 3.28Å; W102-T106 WeakPolarHBondContact O-CB 3.2Å; W102-T106 WeakPolarHBondContact O-CG2 3.33Å; W102-T106 PolarHBondContact O-N 3.49Å; W102-T106 PolarHBondContact O-OG1 2.86Å
103D93.8Very high91.9Very high31 Ų3154 Ų5417%0.16626%0.257CS..Hα-helixtrans-66.4-43.5-179.1-164.354.9000111M99 D100 Y101 F105 T106 R107 Y127M99-D103 VanDerWaalsContact O-CB 3.25Å; M99-D103 WeakPolarHBondContact O-CB 3.12Å; M99-D103 PolarHBondContact O-N 2.77Å; D100-D103 PolarHBondContact O-N 2.78Å; Y101-D103 PolarHBondContact O-N 3.05Å; D103-F105 PolarHBondContact O-N 3.19Å; D103-F105 VanDerWaalsContact O-N 3.15Å; D103-T106 PolarHBondContact O-N 2.58Å; D103-T106 VanDerWaalsContact O-N 3.1Å; D103-R107 VanDerWaalsContact CG-NE 3.3Å; D103-R107 VanDerWaalsContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CB 3.45Å; D103-R107 PolarHBondContact O-N 3.09Å; D103-R107 IonicContact OD1-CZ 2.85Å; D103-R107 IonicContact OD1-NE 2.63Å; D103-R107 PolarHBondContact OD1-NE 3.42Å; D103-R107 VanDerWaalsContact OD1-NE 3.09Å; D103-R107 IonicContact OD1-NH2 2.58Å; D103-R107 PolarHBondContact OD1-NH2 3Å; D103-R107 IonicContact OD2-CZ 2.8Å; D103-R107 VanDerWaalsContact OD2-CZ 3.23Å; D103-R107 IonicContact OD2-NE 2.81Å; D103-R107 PolarHBondContact OD2-NE 2.87Å; D103-R107 IonicContact OD2-NH2 3.85Å; D103-R107 PolarHBondContact OD2-NH2 3.2Å; D103-Y127 WeakPolarHBondContact O-CE1 3.37Å; D103-Y127 PolarHBondContact OD2-OH 3.04Å
104S93.9Very high90.3Very high2 Ų252.9 Ų52.91%0.01427%0.265CS..Hα-helixtrans-53.9-36178.5-620000113.6D100 Y101 T126 Y127 N128 F131D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.33Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 3.05Å; Y101-S104 PolarHBondContact O-N 3.31Å; S104-T126 WeakPolarHBondContact O-CB 3.46Å; S104-T126 WeakPolarHBondContact O-CG2 3.24Å; S104-Y127 VanDerWaalsContact O-CD1 3.26Å; S104-Y127 WeakPolarHBondContact O-CD1 3.31Å; S104-Y127 WeakPolarHBondContact O-CE1 3.28Å; S104-N128 PolarHBondContact OG-ND2 3.36Å; S104-F131 WeakPolarHBondContact OG-CE2 3.4Å
105F93.2Very high88.3Confident1 Ų152.4 Ų52.40%0.00426%0.263CS..Hα-helixtrans-91.6-28177.8-79.5-79.2000113.8L30 M31 I34 Y101 W102 D103 T126 F131 A133 V184L30-F105 HydrophobicContact CD2-CE1 4.46Å; M31-F105 WeakPolarHBondContact CG-O 3.34Å; I34-F105 HydrophobicContact CD1-CB 3.85Å; I34-F105 HydrophobicContact CD1-CD1 3.6Å; I34-F105 HydrophobicContact CD1-CD2 3.91Å; I34-F105 HydrophobicContact CD1-CE1 4.13Å; I34-F105 HydrophobicContact CD1-CE2 4.41Å; I34-F105 HydrophobicContact CD1-CG 3.49Å; I34-F105 VanDerWaalsContact CD1-CG 3.49Å; I34-F105 HydrophobicContact CG2-CB 4.36Å; Y101-F105 HydrophobicContact CD1-CD2 4.31Å; Y101-F105 HydrophobicContact CD2-CE2 4.24Å; Y101-F105 HydrophobicContact CE1-CD2 4.05Å; Y101-F105 HydrophobicContact CE1-CE2 4.13Å; Y101-F105 HydrophobicContact CE2-CD2 4.32Å; Y101-F105 AromaticContact CE2-CE2 3.71Å; Y101-F105 HydrophobicContact CE2-CE2 3.71Å; Y101-F105 AromaticContact CZ-CE2 3.67Å; Y101-F105 WeakPolarHBondContact O-CD2 3.2Å; Y101-F105 PolarHBondContact O-N 2.85Å; W102-F105 PolarHBondContact O-N 3.43Å; D103-F105 PolarHBondContact O-N 3.19Å; D103-F105 VanDerWaalsContact O-N 3.15Å; F105-T126 HydrophobicContact CD1-CG2 3.86Å; F105-T126 HydrophobicContact CD2-CG2 4.08Å; F105-T126 HydrophobicContact CE1-CG2 3.64Å; F105-T126 HydrophobicContact CE2-CG2 3.86Å; F105-T126 HydrophobicContact CG-CG2 4.06Å; F105-T126 HydrophobicContact CZ-CG2 3.63Å; F105-F131 HydrophobicContact CE2-CB 4.06Å; F105-F131 HydrophobicContact CE2-CD2 4.1Å; F105-F131 HydrophobicContact CE2-CG 4.29Å; F105-F131 HydrophobicContact CZ-CB 4.06Å; F105-A133 HydrophobicContact CE1-CB 4.37Å; F105-V184 HydrophobicContact CE1-CG2 4.31Å; F105-V184 HydrophobicContact CE2-CG1 3.83Å; F105-V184 HydrophobicContact CZ-CB 4.34Å; F105-V184 HydrophobicContact CZ-CG1 3.53Å; F105-V184 HydrophobicContact CZ-CG2 3.78Å
106T91.3Very high86.1Confident2 Ų260.1 Ų60.11%0.01228%0.278CS..Hα-helixtrans-109.2-15.1-16670.10000114.9K18 F20 N35 W102 D103K18-T106 WeakPolarHBondContact CE-O 3.47Å; K18-T106 PolarHBondContact NZ-O 3.01Å; K18-T106 PolarHBondContact NZ-OG1 3.43Å; F20-T106 HydrophobicContact CE1-CG2 4Å; N35-T106 HydrophobicContact CB-CG2 4.24Å; W102-T106 HydrophobicContact CD2-CG2 4.42Å; W102-T106 HydrophobicContact CG-CG2 4.39Å; W102-T106 VanDerWaalsContact O-CB 3.28Å; W102-T106 WeakPolarHBondContact O-CB 3.2Å; W102-T106 WeakPolarHBondContact O-CG2 3.33Å; W102-T106 PolarHBondContact O-N 3.49Å; W102-T106 PolarHBondContact O-OG1 2.86Å; D103-T106 PolarHBondContact O-N 2.58Å; D103-T106 VanDerWaalsContact O-N 3.1Å
107R89.5Confident83.9Confident136 Ų13660.1 Ų60.151%0.51328%0.28SS..SBendtrans-72-48.9177.6-171.6-176-69.2-94.1-4.3111.5D103 Y127D103-R107 VanDerWaalsContact CG-NE 3.3Å; D103-R107 VanDerWaalsContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CB 3.45Å; D103-R107 PolarHBondContact O-N 3.09Å; D103-R107 IonicContact OD1-CZ 2.85Å; D103-R107 IonicContact OD1-NE 2.63Å; D103-R107 PolarHBondContact OD1-NE 3.42Å; D103-R107 VanDerWaalsContact OD1-NE 3.09Å; D103-R107 IonicContact OD1-NH2 2.58Å; D103-R107 PolarHBondContact OD1-NH2 3Å; D103-R107 IonicContact OD2-CZ 2.8Å; D103-R107 VanDerWaalsContact OD2-CZ 3.23Å; D103-R107 IonicContact OD2-NE 2.81Å; D103-R107 PolarHBondContact OD2-NE 2.87Å; D103-R107 IonicContact OD2-NH2 3.85Å; D103-R107 PolarHBondContact OD2-NH2 3.2Å; R107-Y127 HydrophobicContact CB-CE1 3.72Å; R107-Y127 WeakPolarHBondContact CD-OH 3.22Å; R107-Y127 PolarHBondContact NE-OH 3.33Å
108H89.8Confident81.7Confident103 Ų10361.9 Ų61.948%0.47729%0.285SS..SBendtrans-132.6153.1176.5-63.3-75.8000110.2Y127H108-Y127 HydrophobicContact CB-CD1 3.82Å; H108-Y127 HydrophobicContact CB-CD2 4.45Å; H108-Y127 HydrophobicContact CB-CG 3.73Å; H108-Y127 AromaticContact CD2-CD2 3.67Å; H108-Y127 AromaticContact CD2-CE2 3.89Å; H108-Y127 AromaticContact CD2-CG 3.81Å
109Q91.3Very high79.8Confident57 Ų5762.6 Ų62.627%0.26630%0.3SS..PPolyproline II helixtrans-59.1139.917665.2176-5.600110.6A22 N23 M31A22-Q109 HydrophobicContact CB-CB 3.79Å; N23-Q109 PolarHBondContact OD1-OE1 3.37Å; M31-Q109 HydrophobicContact SD-CB 4.1Å
110P92Very high78.3Confident2 Ų259.7 Ų59.71%0.01330%0.3CS..PPolyproline II helixtrans-67.1147.2170.528.4-33.6000110.7K27 L124 V125K27-P110 WeakPolarHBondContact CD-O 3.45Å; K27-P110 WeakPolarHBondContact CE-O 3.39Å; K27-P110 HydrophobicContact CG-CG 4.39Å; K27-P110 PolarHBondContact NZ-O 2.82Å; P110-L124 HydrophobicContact CB-CB 4.17Å; P110-L124 HydrophobicContact CB-CD2 4.28Å; P110-L124 HydrophobicContact CG-CD1 4.33Å; P110-L124 HydrophobicContact CG-CD2 4.34Å; P110-V125 CarbonylContact C-O 3.57Å; P110-V125 WeakPolarHBondContact CA-O 3.35Å; P110-V125 WeakPolarHBondContact CB-O 3.37Å
111L90.3Very high77.4Confident99 Ų9956.6 Ų56.652%0.51828%0.284SS..EExtended strand (participates in β ladder)trans-97.2140.8-178.6-61.2177.2000109.6D113 L124 V125L111-D113 PolarHBondContact O-N 2.6Å; L111-L124 CarbonylContact O-C 3.55Å; L111-L124 VanDerWaalsContact O-CA 3.32Å; L111-L124 WeakPolarHBondContact O-CA 3.02Å; L111-V125 PolarHBondContact N-O 3Å; L111-V125 PolarHBondContact O-N 3.3Å
112W86.2Confident76.9Confident55 Ų5560.4 Ų60.421%0.20830%0.301CS..EExtended strand (participates in β ladder)trans-70.8132.1169.4-73.4119.1000108.1E24 L26 K27 S114 K122 F123 L124E24-W112 PolarHBondContact OE1-NE1 3.12Å; E24-W112 PolarHBondContact OE2-NE1 3.25Å; L26-W112 HydrophobicContact CD2-CH2 4.15Å; L26-W112 HydrophobicContact CD2-CZ2 4.15Å; K27-W112 VanDerWaalsContact CE-CD1 3.44Å; W112-S114 PolarHBondContact O-N 3.28Å; W112-K122 HydrophobicContact CE3-CB 3.69Å; W112-K122 HydrophobicContact CE3-CD 4.28Å; W112-K122 HydrophobicContact CH2-CB 4.05Å; W112-K122 HydrophobicContact CH2-CD 4.05Å; W112-K122 HydrophobicContact CZ2-CD 4.48Å; W112-K122 HydrophobicContact CZ3-CB 3.24Å; W112-K122 HydrophobicContact CZ3-CD 3.93Å; W112-K122 HydrophobicContact CZ3-CG 4.25Å; W112-F123 VanDerWaalsContact CE3-O 3.31Å; W112-L124 HydrophobicContact CD2-CD2 3.41Å; W112-L124 VanDerWaalsContact CD2-CD2 3.41Å; W112-L124 HydrophobicContact CD2-CG 4.12Å; W112-L124 HydrophobicContact CE3-CD2 3.48Å; W112-L124 VanDerWaalsContact CE3-CD2 3.48Å; W112-L124 HydrophobicContact CE3-CG 3.67Å; W112-L124 HydrophobicContact CG-CD2 3.96Å; W112-L124 HydrophobicContact CH2-CD1 4.05Å; W112-L124 HydrophobicContact CH2-CD2 4.01Å; W112-L124 HydrophobicContact CH2-CG 3.83Å; W112-L124 HydrophobicContact CZ2-CD1 4.46Å; W112-L124 HydrophobicContact CZ2-CD2 3.98Å; W112-L124 HydrophobicContact CZ2-CG 4.29Å; W112-L124 HydrophobicContact CZ3-CD1 4.2Å; W112-L124 HydrophobicContact CZ3-CD2 3.77Å; W112-L124 HydrophobicContact CZ3-CG 3.49Å; W112-L124 VanDerWaalsContact CZ3-CG 3.49Å
113D77.3Confident76.7Confident20 Ų2058 Ų5811%0.10729%0.292CS..PPolyproline II helixtrans-69.1119.6165-170.9-1.2000108.2L111 T115 F123 V125 S388 A389L111-D113 PolarHBondContact O-N 2.6Å; D113-T115 PolarHBondContact O-N 3.48Å; D113-T115 PolarHBondContact OD1-N 3.19Å; D113-T115 PolarHBondContact OD1-OG1 2.95Å; D113-T115 PolarHBondContact OD2-OG1 3.23Å; D113-F123 HydrophobicContact CB-CB 4.04Å; D113-F123 PolarHBondContact N-O 3.5Å; D113-V125 HydrophobicContact CB-CG2 4.38Å; D113-S388 WeakPolarHBondContact OD2-CA 3.39Å; D113-A389 PolarHBondContact OD2-N 2.75Å
114S60.7Low76.6Confident77 Ų7756.6 Ų56.654%0.53828%0.284SS..SBendtrans-63.4-8.8-176.2-70.20000112.8W112 R116W112-S114 PolarHBondContact O-N 3.28Å; S114-R116 PolarHBondContact O-N 3.03Å
115T53.8Low76.6Confident5 Ų557.5 Ų57.53%0.03129%0.29CS..  trans-77.289.4169.760.30000111.4D113 G117 S388D113-T115 PolarHBondContact O-N 3.48Å; D113-T115 PolarHBondContact OD1-N 3.19Å; D113-T115 PolarHBondContact OD1-OG1 2.95Å; D113-T115 PolarHBondContact OD2-OG1 3.23Å; T115-G117 PolarHBondContact O-N 2.96Å; T115-S388 VanDerWaalsContact CG2-OG 3.32Å; T115-S388 WeakPolarHBondContact CG2-OG 3.1Å; T115-S388 PolarHBondContact OG1-OG 2.94Å
116R47.8Very low76.6Confident206 Ų20657.7 Ų57.778%0.77729%0.291SS*.  trans-67.2100.5165.7-127.9-174.9-154.3-135.38.9109.1S114S114-R116 PolarHBondContact O-N 3.03Å
117G48.8Very low76.6Confident8 Ų861 Ų618%0.08230%0.304CS..  trans-65.6153.5173.800000113T115 S119 G120 D391T115-G117 PolarHBondContact O-N 2.96Å; G117-S119 PolarHBondContact O-N 3.23Å; G117-G120 PolarHBondContact O-N 3.32Å; G117-D391 VanDerWaalsContact CA-OD1 3.28Å; G117-D391 WeakPolarHBondContact CA-OD1 3.06Å; G117-D391 WeakPolarHBondContact CA-OD2 3.38Å
118K46Very low76.7Confident165 Ų16556.1 Ų56.172%0.71729%0.288SS*.THydrogen-bonded Turntrans-60.8-25.7177.7-72.9-176.6-178.6173.60113.3G120 L393K118-G120 PolarHBondContact O-N 3.23Å; K118-L393 HydrophobicContact CD-CD2 3.9Å
119S52.6Low76.8Confident93 Ų9355.6 Ų55.665%0.6528%0.282SS*.THydrogen-bonded Turntrans-71.1-7.9-178.9-164.70000113G117 S121G117-S119 PolarHBondContact O-N 3.23Å; S119-S121 PolarHBondContact O-N 3.27Å
120G62.6Low76.9Confident54 Ų5454.9 Ų54.956%0.55728%0.278SS*.SBendtrans72.2-14.9-17200000113.5G117 K118 K122G117-G120 PolarHBondContact O-N 3.32Å; K118-G120 PolarHBondContact O-N 3.23Å; G120-K122 PolarHBondContact O-N 2.81Å
121S74.6Confident77.1Confident12 Ų1254.9 Ų54.98%0.08428%0.278CS..  trans-54.7124.4163.9166.70000109.7S119 K134 T135S119-S121 PolarHBondContact O-N 3.27Å; S121-K134 WeakPolarHBondContact OG-CE 3.15Å; S121-K134 WeakPolarHBondContact OG-CG 3.36Å; S121-T135 WeakPolarHBondContact CB-O 3.3Å; S121-T135 PolarHBondContact OG-O 3.07Å
122K84.7Confident77.3Confident81 Ų8150.4 Ų50.435%0.35226%0.255SS..  trans-108.5145.1176.2-57.5177.2-173.8171.70109.4W112 G120 T135W112-K122 HydrophobicContact CE3-CB 3.69Å; W112-K122 HydrophobicContact CE3-CD 4.28Å; W112-K122 HydrophobicContact CH2-CB 4.05Å; W112-K122 HydrophobicContact CH2-CD 4.05Å; W112-K122 HydrophobicContact CZ2-CD 4.48Å; W112-K122 HydrophobicContact CZ3-CB 3.24Å; W112-K122 HydrophobicContact CZ3-CD 3.93Å; W112-K122 HydrophobicContact CZ3-CG 4.25Å; G120-K122 PolarHBondContact O-N 2.81Å; K122-T135 PolarHBondContact O-N 3.44Å; K122-T135 PolarHBondContact O-OG1 2.95Å; K122-T135 VanDerWaalsContact O-OG1 3.08Å
123F90.1Very high77.7Confident8 Ų847.9 Ų47.94%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-107.2132.9176.2-64.2-87.3000110.7W112 D113 V132 K134 A389 G390W112-F123 VanDerWaalsContact CE3-O 3.31Å; D113-F123 HydrophobicContact CB-CB 4.04Å; D113-F123 PolarHBondContact N-O 3.5Å; F123-V132 HydrophobicContact CB-CG1 4.24Å; F123-V132 HydrophobicContact CD1-CG1 3.56Å; F123-V132 HydrophobicContact CE1-CG1 4.36Å; F123-V132 HydrophobicContact CG-CG1 4.34Å; F123-K134 HydrophobicContact CD1-CB 3.82Å; F123-K134 HydrophobicContact CD1-CD 4.49Å; F123-K134 HydrophobicContact CD1-CG 3.87Å; F123-K134 HydrophobicContact CE1-CB 3.74Å; F123-K134 HydrophobicContact CE1-CD 3.61Å; F123-K134 HydrophobicContact CE1-CG 3.45Å; F123-K134 VanDerWaalsContact CE1-CG 3.45Å; F123-K134 HydrophobicContact CZ-CD 3.93Å; F123-K134 HydrophobicContact CZ-CG 3.99Å; F123-A389 HydrophobicContact CB-CB 4.2Å; F123-A389 HydrophobicContact CD1-CB 3.67Å; F123-A389 HydrophobicContact CD2-CB 4.03Å; F123-A389 HydrophobicContact CE1-CB 3.89Å; F123-A389 HydrophobicContact CE2-CB 4.27Å; F123-A389 HydrophobicContact CG-CB 3.72Å; F123-A389 HydrophobicContact CZ-CB 4.19Å; F123-G390 WeakPolarHBondContact CZ-O 3.47Å
124L92.4Very high78.5Confident2 Ų247.5 Ų47.51%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-101.8137.2165-74168.8000108.4K27 L30 P110 L111 W112 V132 A133K27-L124 HydrophobicContact CD-CD2 4.43Å; K27-L124 HydrophobicContact CG-CD2 4.27Å; L30-L124 HydrophobicContact CD2-CD1 3.95Å; P110-L124 HydrophobicContact CB-CB 4.17Å; P110-L124 HydrophobicContact CB-CD2 4.28Å; P110-L124 HydrophobicContact CG-CD1 4.33Å; P110-L124 HydrophobicContact CG-CD2 4.34Å; L111-L124 CarbonylContact O-C 3.55Å; L111-L124 VanDerWaalsContact O-CA 3.32Å; L111-L124 WeakPolarHBondContact O-CA 3.02Å; W112-L124 HydrophobicContact CD2-CD2 3.41Å; W112-L124 VanDerWaalsContact CD2-CD2 3.41Å; W112-L124 HydrophobicContact CD2-CG 4.12Å; W112-L124 HydrophobicContact CE3-CD2 3.48Å; W112-L124 VanDerWaalsContact CE3-CD2 3.48Å; W112-L124 HydrophobicContact CE3-CG 3.67Å; W112-L124 HydrophobicContact CG-CD2 3.96Å; W112-L124 HydrophobicContact CH2-CD1 4.05Å; W112-L124 HydrophobicContact CH2-CD2 4.01Å; W112-L124 HydrophobicContact CH2-CG 3.83Å; W112-L124 HydrophobicContact CZ2-CD1 4.46Å; W112-L124 HydrophobicContact CZ2-CD2 3.98Å; W112-L124 HydrophobicContact CZ2-CG 4.29Å; W112-L124 HydrophobicContact CZ3-CD1 4.2Å; W112-L124 HydrophobicContact CZ3-CD2 3.77Å; W112-L124 HydrophobicContact CZ3-CG 3.49Å; W112-L124 VanDerWaalsContact CZ3-CG 3.49Å; L124-V132 CarbonylContact O-C 3.59Å; L124-V132 WeakPolarHBondContact O-CA 3.37Å; L124-A133 HydrophobicContact CB-CB 4.04Å; L124-A133 PolarHBondContact N-O 2.93Å; L124-A133 PolarHBondContact O-N 2.98Å
125V93.1Very high80.1Confident22 Ų2245.2 Ų45.213%0.13323%0.226CC..EExtended strand (participates in β ladder)trans-115.1134174.3-175.10000108.1P110 L111 D113 R129 V132P110-V125 CarbonylContact C-O 3.57Å; P110-V125 WeakPolarHBondContact CA-O 3.35Å; P110-V125 WeakPolarHBondContact CB-O 3.37Å; L111-V125 PolarHBondContact N-O 3Å; L111-V125 PolarHBondContact O-N 3.3Å; D113-V125 HydrophobicContact CB-CG2 4.38Å; V125-R129 HydrophobicContact CG1-CB 4.27Å; V125-R129 HydrophobicContact CG1-CG 4.27Å; V125-V132 HydrophobicContact CG2-CG2 4.41Å
126T94.4Very high82Confident4 Ų445.4 Ų45.43%0.02523%0.226CC..  trans-63.2154.1174.655.50000110.5S104 F105 N128 R129 Q130 F131S104-T126 WeakPolarHBondContact O-CB 3.46Å; S104-T126 WeakPolarHBondContact O-CG2 3.24Å; F105-T126 HydrophobicContact CD1-CG2 3.86Å; F105-T126 HydrophobicContact CD2-CG2 4.08Å; F105-T126 HydrophobicContact CE1-CG2 3.64Å; F105-T126 HydrophobicContact CE2-CG2 3.86Å; F105-T126 HydrophobicContact CG-CG2 4.06Å; F105-T126 HydrophobicContact CZ-CG2 3.63Å; T126-N128 WeakPolarHBondContact CB-OD1 3.41Å; T126-N128 PolarHBondContact O-N 3Å; T126-N128 VanDerWaalsContact O-N 3.14Å; T126-N128 PolarHBondContact OG1-OD1 2.93Å; T126-R129 WeakPolarHBondContact O-CA 2.9Å; T126-R129 PolarHBondContact O-N 3.03Å; T126-Q130 PolarHBondContact OG1-N 3.02Å; T126-F131 HydrophobicContact CG2-CB 3.89Å; T126-F131 HydrophobicContact CG2-CD2 4.26Å; T126-F131 PolarHBondContact N-O 3.13Å; T126-F131 PolarHBondContact OG1-N 3.36Å; T126-F131 VanDerWaalsContact OG1-N 3.16Å; T126-F131 PolarHBondContact OG1-O 2.97Å
127Y90.7Very high84.2Confident71 Ų7137.5 Ų37.528%0.27820%0.203SC..THydrogen-bonded Turntrans-58.8-32.3-174.874.4-86000113.1D103 S104 R107 H108 R129D103-Y127 WeakPolarHBondContact O-CE1 3.37Å; D103-Y127 PolarHBondContact OD2-OH 3.04Å; S104-Y127 VanDerWaalsContact O-CD1 3.26Å; S104-Y127 WeakPolarHBondContact O-CD1 3.31Å; S104-Y127 WeakPolarHBondContact O-CE1 3.28Å; R107-Y127 HydrophobicContact CB-CE1 3.72Å; R107-Y127 WeakPolarHBondContact CD-OH 3.22Å; R107-Y127 PolarHBondContact NE-OH 3.33Å; H108-Y127 HydrophobicContact CB-CD1 3.82Å; H108-Y127 HydrophobicContact CB-CD2 4.45Å; H108-Y127 HydrophobicContact CB-CG 3.73Å; H108-Y127 AromaticContact CD2-CD2 3.67Å; H108-Y127 AromaticContact CD2-CE2 3.89Å; H108-Y127 AromaticContact CD2-CG 3.81Å; Y127-R129 VanDerWaalsContact C-N 3.3Å
128N91.1Very high86.3Confident34 Ų3440.1 Ų40.118%0.18222%0.22CC..THydrogen-bonded Turntrans-87.76.2176.267.8-10.5000113.6S104 T126 Q130 P191S104-N128 PolarHBondContact OG-ND2 3.36Å; T126-N128 WeakPolarHBondContact CB-OD1 3.41Å; T126-N128 PolarHBondContact O-N 3Å; T126-N128 VanDerWaalsContact O-N 3.14Å; T126-N128 PolarHBondContact OG1-OD1 2.93Å; N128-Q130 HydrophobicContact CB-CG 4.48Å; N128-Q130 VanDerWaalsContact ND2-CD 3.31Å; N128-Q130 PolarHBondContact O-N 3.17Å; N128-Q130 PolarHBondContact OD1-N 3.31Å; N128-P191 WeakPolarHBondContact O-CB 3.31Å
129R91.7Very high88.5Confident93 Ų9336.9 Ų36.935%0.35121%0.208SC..SBendtrans59.912.7176.3-54.8-179.5179-1320.2116.1V125 T126 Y127 N187 P191 R385 V387V125-R129 HydrophobicContact CG1-CB 4.27Å; V125-R129 HydrophobicContact CG1-CG 4.27Å; T126-R129 WeakPolarHBondContact O-CA 2.9Å; T126-R129 PolarHBondContact O-N 3.03Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; R129-N187 VanDerWaalsContact O-CB 3.28Å; R129-N187 WeakPolarHBondContact O-CB 3.43Å; R129-N187 PolarHBondContact O-ND2 2.85Å; R129-P191 HydrophobicContact CB-CB 4Å; R129-R385 PolarHBondContact NH1-O 3.4Å; R129-R385 PolarHBondContact NH2-O 3.47Å; R129-V387 VanDerWaalsContact NH1-CG2 3.29Å
130Q93.7Very high90.5Very high41 Ų4134.1 Ų34.119%0.19218%0.184CC..SBendtrans-77.1-30.3-179-67.2-172.5800113.6T126 N128 N187 P191 L492T126-Q130 PolarHBondContact OG1-N 3.02Å; N128-Q130 HydrophobicContact CB-CG 4.48Å; N128-Q130 VanDerWaalsContact ND2-CD 3.31Å; N128-Q130 PolarHBondContact O-N 3.17Å; N128-Q130 PolarHBondContact OD1-N 3.31Å; Q130-N187 WeakPolarHBondContact O-CB 3.13Å; Q130-N187 PolarHBondContact O-N 3.03Å; Q130-P191 HydrophobicContact CG-CB 4.38Å; Q130-P191 HydrophobicContact CG-CG 4.25Å; Q130-L492 HydrophobicContact CG-CD2 4.08Å
131F95.7Very high92.1Very high2 Ų232 Ų321%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-129147.1-175.1-51.2-64000111.7V96 Y101 S104 F105 T126 L168 V184 M185V96-F131 HydrophobicContact CG1-CE1 4.07Å; V96-F131 HydrophobicContact CG1-CZ 3.77Å; V96-F131 HydrophobicContact CG2-CE1 4.18Å; Y101-F131 HydrophobicContact CD2-CD2 4.26Å; Y101-F131 HydrophobicContact CD2-CE1 4.29Å; Y101-F131 HydrophobicContact CD2-CE2 4.02Å; Y101-F131 HydrophobicContact CD2-CZ 4.04Å; S104-F131 WeakPolarHBondContact OG-CE2 3.4Å; F105-F131 HydrophobicContact CE2-CB 4.06Å; F105-F131 HydrophobicContact CE2-CD2 4.1Å; F105-F131 HydrophobicContact CE2-CG 4.29Å; F105-F131 HydrophobicContact CZ-CB 4.06Å; T126-F131 HydrophobicContact CG2-CB 3.89Å; T126-F131 HydrophobicContact CG2-CD2 4.26Å; T126-F131 PolarHBondContact N-O 3.13Å; T126-F131 PolarHBondContact OG1-N 3.36Å; T126-F131 VanDerWaalsContact OG1-N 3.16Å; T126-F131 PolarHBondContact OG1-O 2.97Å; F131-L168 HydrophobicContact CD1-CD1 3.27Å; F131-L168 HydrophobicContact CE1-CD1 3.35Å; F131-L168 HydrophobicContact CG-CD1 4.32Å; F131-L168 HydrophobicContact CZ-CD1 4.44Å; F131-V184 HydrophobicContact CB-CG1 4.27Å; F131-M185 WeakPolarHBondContact CA-O 3.37Å
132V94.8Very high93Very high6 Ų636.9 Ų36.94%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-118.5130175.9178.90000108.3F123 L124 V125 V184 M185 N187 A389F123-V132 HydrophobicContact CB-CG1 4.24Å; F123-V132 HydrophobicContact CD1-CG1 3.56Å; F123-V132 HydrophobicContact CE1-CG1 4.36Å; F123-V132 HydrophobicContact CG-CG1 4.34Å; L124-V132 CarbonylContact O-C 3.59Å; L124-V132 WeakPolarHBondContact O-CA 3.37Å; V125-V132 HydrophobicContact CG2-CG2 4.41Å; V132-V184 WeakPolarHBondContact O-CA 3.15Å; V132-M185 HydrophobicContact CB-CG 4.37Å; V132-M185 PolarHBondContact N-O 3.1Å; V132-M185 PolarHBondContact O-N 3.3Å; V132-N187 HydrophobicContact CG2-CB 3.87Å; V132-A389 HydrophobicContact CG1-CB 4.17Å
133A95.3Very high93.5Very high1 Ų133.7 Ų33.71%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-109.8109.8173.900000109.4F105 L124 I182 L183 V184F105-A133 HydrophobicContact CE1-CB 4.37Å; L124-A133 HydrophobicContact CB-CB 4.04Å; L124-A133 PolarHBondContact N-O 2.93Å; L124-A133 PolarHBondContact O-N 2.98Å; A133-I182 HydrophobicContact CB-CG2 3.54Å; A133-L183 CarbonylContact C-O 3.48Å; A133-L183 WeakPolarHBondContact CA-O 3.37Å; A133-V184 HydrophobicContact CB-CG2 3.8Å
134K93.7Very high93.7Very high13 Ų1333.3 Ų33.36%0.05717%0.167CC..EExtended strand (participates in β ladder)trans-91.8133.2-179-174.1-178.6-175.5-170.80110.2S121 F123 I136 E140 I182 L183 M185 D515S121-K134 WeakPolarHBondContact OG-CE 3.15Å; S121-K134 WeakPolarHBondContact OG-CG 3.36Å; F123-K134 HydrophobicContact CD1-CB 3.82Å; F123-K134 HydrophobicContact CD1-CD 4.49Å; F123-K134 HydrophobicContact CD1-CG 3.87Å; F123-K134 HydrophobicContact CE1-CB 3.74Å; F123-K134 HydrophobicContact CE1-CD 3.61Å; F123-K134 HydrophobicContact CE1-CG 3.45Å; F123-K134 VanDerWaalsContact CE1-CG 3.45Å; F123-K134 HydrophobicContact CZ-CD 3.93Å; F123-K134 HydrophobicContact CZ-CG 3.99Å; K134-I136 HydrophobicContact CB-CG2 4.42Å; K134-I136 HydrophobicContact CD-CG2 4.02Å; K134-I136 HydrophobicContact CG-CG2 4.02Å; K134-E140 IonicContact NZ-OE1 3.65Å; K134-I182 WeakPolarHBondContact O-CA 3.23Å; K134-L183 PolarHBondContact N-O 3.26Å; K134-L183 PolarHBondContact O-N 2.65Å; K134-M185 HydrophobicContact CB-CE 3.89Å; K134-M185 HydrophobicContact CD-CE 4.44Å; K134-D515 IonicContact NZ-OD1 3.76Å; K134-D515 PolarHBondContact NZ-OD1 3.15Å; K134-D515 IonicContact NZ-OD2 3.12Å
135T93.8Very high93.9Very high28 Ų2836.1 Ų36.117%0.17218%0.18CC..EExtended strand (participates in β ladder)trans-76.4121.7167.7-51.20000109.2S121 K122 Y181S121-T135 WeakPolarHBondContact CB-O 3.3Å; S121-T135 PolarHBondContact OG-O 3.07Å; K122-T135 PolarHBondContact O-N 3.44Å; K122-T135 PolarHBondContact O-OG1 2.95Å; K122-T135 VanDerWaalsContact O-OG1 3.08Å; T135-Y181 CarbonylContact C-O 3.52Å; T135-Y181 VanDerWaalsContact CA-O 3.29Å; T135-Y181 WeakPolarHBondContact CA-O 3.32Å
136I94.1Very high94Very high9 Ų938.8 Ų38.85%0.04619%0.191CC..EExtended strand (participates in β ladder)trans-117.7160.9-179.162.9167.4000111.6K134 E140 V141 L170 Y181 L183 L517K134-I136 HydrophobicContact CB-CG2 4.42Å; K134-I136 HydrophobicContact CD-CG2 4.02Å; K134-I136 HydrophobicContact CG-CG2 4.02Å; I136-E140 WeakPolarHBondContact CA-OE2 3.3Å; I136-E140 HydrophobicContact CB-CB 3.97Å; I136-E140 WeakPolarHBondContact CB-OE2 2.82Å; I136-E140 HydrophobicContact CD1-CB 4.21Å; I136-V141 HydrophobicContact CD1-CB 4.49Å; I136-V141 HydrophobicContact CD1-CG2 3.52Å; I136-V141 HydrophobicContact CG1-CG2 3.91Å; I136-L170 HydrophobicContact CD1-CD1 3.87Å; I136-Y181 PolarHBondContact N-O 3.24Å; I136-Y181 WeakPolarHBondContact O-CB 3.27Å; I136-L183 HydrophobicContact CD1-CB 3.98Å; I136-L183 HydrophobicContact CD1-CD2 4.4Å; I136-L183 HydrophobicContact CG1-CB 4.37Å; I136-L183 HydrophobicContact CG2-CB 4.15Å; I136-L183 HydrophobicContact CG2-CD2 4.49Å; I136-L517 HydrophobicContact CD1-CD1 4.46Å
137S93.3Very high94Very high40 Ų4038.6 Ų38.628%0.2819%0.189SC..  trans-76.6162173.859.50000112.1E139 E140 V141S137-E139 PolarHBondContact O-N 3.3Å; S137-E140 PolarHBondContact N-OE2 2.81Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 WeakPolarHBondContact OG-CB 3.07Å; S137-E140 VanDerWaalsContact OG-CG 3.28Å; S137-E140 WeakPolarHBondContact OG-CG 2.99Å; S137-E140 PolarHBondContact OG-N 3.35Å; S137-E140 PolarHBondContact OG-OE2 2.54Å; S137-V141 WeakPolarHBondContact O-CG2 3.42Å; S137-V141 PolarHBondContact O-N 3.2Å; S137-V141 VanDerWaalsContact O-N 3.08Å
138S93.5Very high94.3Very high64 Ų6435.4 Ų35.445%0.44818%0.177SC..Hα-helixtrans-61.9-31.2172.550.60000112.4V141 E142S138-V141 WeakPolarHBondContact O-CB 3.43Å; S138-V141 PolarHBondContact O-N 3.33Å; S138-E142 PolarHBondContact O-N 3.4Å
139E92Very high94.5Very high97 Ų9738.1 Ų38.145%0.45319%0.189SC..Hα-helixtrans-68.4-39.4176-64137126.800111.4S137 V141 E142 Q143 R523S137-E139 PolarHBondContact O-N 3.3Å; E139-V141 VanDerWaalsContact C-N 3.34Å; E139-E142 PolarHBondContact O-N 2.92Å; E139-Q143 PolarHBondContact O-N 2.9Å; E139-R523 IonicContact OE1-CZ 3.93Å; E139-R523 IonicContact OE1-NH1 2.93Å; E139-R523 PolarHBondContact OE1-NH1 2.85Å; E139-R523 VanDerWaalsContact OE1-NH1 3.11Å; E139-R523 IonicContact OE1-NH2 3.76Å; E139-R523 PolarHBondContact OE1-NH2 2.8Å
140E94.2Very high94.8Very high34 Ų3438.1 Ų38.116%0.15919%0.193CC..Hα-helixtrans-67-33.4172.9-76.9169.5120.700112.3K134 I136 S137 Q143 M144 L517K134-E140 IonicContact NZ-OE1 3.65Å; I136-E140 WeakPolarHBondContact CA-OE2 3.3Å; I136-E140 HydrophobicContact CB-CB 3.97Å; I136-E140 WeakPolarHBondContact CB-OE2 2.82Å; I136-E140 HydrophobicContact CD1-CB 4.21Å; S137-E140 PolarHBondContact N-OE2 2.81Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 WeakPolarHBondContact OG-CB 3.07Å; S137-E140 VanDerWaalsContact OG-CG 3.28Å; S137-E140 WeakPolarHBondContact OG-CG 2.99Å; S137-E140 PolarHBondContact OG-N 3.35Å; S137-E140 PolarHBondContact OG-OE2 2.54Å; E140-Q143 PolarHBondContact O-N 3.3Å; E140-M144 WeakPolarHBondContact O-CB 3.24Å; E140-M144 PolarHBondContact O-N 3.03Å; E140-L517 HydrophobicContact CB-CB 4.25Å; E140-L517 HydrophobicContact CB-CD1 3.98Å; E140-L517 HydrophobicContact CG-CB 3.98Å; E140-L517 HydrophobicContact CG-CD1 4.38Å
141V96.3Very high95Very high9 Ų936.1 Ų36.16%0.05518%0.183CC..Hα-helixtrans-64.6-44.4173.2171.80000111.1I136 S137 S138 E139 Q143 M144 H145 L170 Y181I136-V141 HydrophobicContact CD1-CB 4.49Å; I136-V141 HydrophobicContact CD1-CG2 3.52Å; I136-V141 HydrophobicContact CG1-CG2 3.91Å; S137-V141 WeakPolarHBondContact O-CG2 3.42Å; S137-V141 PolarHBondContact O-N 3.2Å; S137-V141 VanDerWaalsContact O-N 3.08Å; S138-V141 WeakPolarHBondContact O-CB 3.43Å; S138-V141 PolarHBondContact O-N 3.33Å; E139-V141 VanDerWaalsContact C-N 3.34Å; V141-Q143 VanDerWaalsContact C-N 3.32Å; V141-Q143 PolarHBondContact O-N 2.95Å; V141-M144 WeakPolarHBondContact O-CB 3.48Å; V141-M144 PolarHBondContact O-N 3.03Å; V141-H145 PolarHBondContact O-CD2 2.89Å; V141-H145 PolarHBondContact O-N 3Å; V141-L170 HydrophobicContact CG1-CD2 4.34Å; V141-L170 HydrophobicContact CG2-CD1 4.35Å; V141-Y181 HydrophobicContact CG2-CD1 3.56Å; V141-Y181 HydrophobicContact CG2-CD2 4.41Å; V141-Y181 HydrophobicContact CG2-CE1 4.25Å; V141-Y181 HydrophobicContact CG2-CG 3.64Å
142E95.1Very high95Very high115 Ų11537.5 Ų37.554%0.53719%0.189SC..Hα-helixtrans-60.9-44.4175.4-167.5-170.5163.100110.7S138 E139 M144 H145 Q146S138-E142 PolarHBondContact O-N 3.4Å; E139-E142 PolarHBondContact O-N 2.92Å; E142-M144 VanDerWaalsContact C-N 3.33Å; E142-M144 PolarHBondContact O-N 2.81Å; E142-H145 PolarHBondContact O-N 3.07Å; E142-Q146 WeakPolarHBondContact O-CG 3.04Å; E142-Q146 PolarHBondContact O-N 2.78Å; E142-Q146 PolarHBondContact OE1-NE2 3.24Å
143Q94Very high95.1Very high15 Ų1539.6 Ų39.67%0.0720%0.204CC..Hα-helixtrans-62.3-40.8176.4-174.354.343.500112.4E139 E140 V141 H145 Q146 M147 L320 L517 R519E139-Q143 PolarHBondContact O-N 2.9Å; E140-Q143 PolarHBondContact O-N 3.3Å; V141-Q143 VanDerWaalsContact C-N 3.32Å; V141-Q143 PolarHBondContact O-N 2.95Å; Q143-H145 VanDerWaalsContact C-N 3.32Å; Q143-H145 PolarHBondContact O-N 3.44Å; Q143-Q146 PolarHBondContact O-N 3.33Å; Q143-M147 WeakPolarHBondContact O-CG 3.47Å; Q143-M147 PolarHBondContact O-N 2.93Å; Q143-M147 VanDerWaalsContact O-N 3.15Å; Q143-L320 HydrophobicContact CG-CD2 4.23Å; Q143-L517 WeakPolarHBondContact CG-O 3.28Å; Q143-R519 HydrophobicContact CG-CB 4.35Å; Q143-R519 VanDerWaalsContact OE1-CB 3.22Å
144M95.7Very high95.2Very high0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-59-44.6175.2-176.267-148.200110.8F87 E140 V141 E142 Q146 M147 L148 F167 L170 L517F87-M144 HydrophobicContact CE1-CE 4.42Å; F87-M144 HydrophobicContact CZ-CE 4.21Å; E140-M144 WeakPolarHBondContact O-CB 3.24Å; E140-M144 PolarHBondContact O-N 3.03Å; V141-M144 WeakPolarHBondContact O-CB 3.48Å; V141-M144 PolarHBondContact O-N 3.03Å; E142-M144 VanDerWaalsContact C-N 3.33Å; E142-M144 PolarHBondContact O-N 2.81Å; M144-Q146 VanDerWaalsContact C-N 3.35Å; M144-Q146 PolarHBondContact O-N 2.87Å; M144-M147 HydrophobicContact CE-CE 4.46Å; M144-M147 PolarHBondContact O-N 2.83Å; M144-M147 HydrophobicContact SD-CE 3.82Å; M144-L148 HydrophobicContact CE-CB 4.4Å; M144-L148 HydrophobicContact CE-CD1 3.46Å; M144-L148 VanDerWaalsContact CE-CD1 3.46Å; M144-L148 HydrophobicContact CE-CG 4.46Å; M144-L148 VanDerWaalsContact O-CB 3.28Å; M144-L148 WeakPolarHBondContact O-CB 3.25Å; M144-L148 PolarHBondContact O-N 2.81Å; M144-F167 HydrophobicContact CE-CB 4.44Å; M144-F167 HydrophobicContact CE-CD2 3.64Å; M144-F167 HydrophobicContact CE-CE2 4.13Å; M144-F167 HydrophobicContact CE-CG 4.19Å; M144-F167 HydrophobicContact SD-CD2 3.95Å; M144-F167 HydrophobicContact SD-CE2 3.92Å; M144-F167 HydrophobicContact SD-CG 4.42Å; M144-F167 HydrophobicContact SD-CZ 4.38Å; M144-L170 HydrophobicContact CB-CD2 4.46Å; M144-L170 HydrophobicContact CG-CD2 4.05Å; M144-L517 HydrophobicContact CB-CD2 4.25Å; M144-L517 HydrophobicContact SD-CD2 4.06Å
145H95.8Very high95.4Very high61 Ų6141 Ų4128%0.28221%0.209SC..Hα-helixtrans-63.7-37175.4-84.9-69.9000113.2Y82 C83 V141 E142 Q143 M147Y82-H145 AromaticContact CD1-CE1 3.72Å; Y82-H145 AromaticContact CD1-NE2 3.14Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.48Å; Y82-H145 AromaticContact CE1-NE2 3.72Å; Y82-H145 AromaticContact CG-NE2 3.75Å; C83-H145 VanDerWaalsContact SG-CE1 3.53Å; V141-H145 PolarHBondContact O-CD2 2.89Å; V141-H145 PolarHBondContact O-N 3Å; E142-H145 PolarHBondContact O-N 3.07Å; Q143-H145 VanDerWaalsContact C-N 3.32Å; Q143-H145 PolarHBondContact O-N 3.44Å; H145-M147 VanDerWaalsContact C-N 3.32Å; H145-M147 PolarHBondContact O-N 3.43Å
146Q94.2Very high95.5Very high78 Ų7841.8 Ų41.836%0.36421%0.214SC..Hα-helixtrans-66.2-30.8178.5-73.1175.127.300113.2E142 Q143 M144E142-Q146 WeakPolarHBondContact O-CG 3.04Å; E142-Q146 PolarHBondContact O-N 2.78Å; E142-Q146 PolarHBondContact OE1-NE2 3.24Å; Q143-Q146 PolarHBondContact O-N 3.33Å; M144-Q146 VanDerWaalsContact C-N 3.35Å; M144-Q146 PolarHBondContact O-N 2.87Å
147M94.6Very high95.5Very high0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-105.3-3.5-176.874.5-177.6-143.600114.1Q143 M144 H145 E149 E150 Y151 F167 L320 I516 L517Q143-M147 WeakPolarHBondContact O-CG 3.47Å; Q143-M147 PolarHBondContact O-N 2.93Å; Q143-M147 VanDerWaalsContact O-N 3.15Å; M144-M147 HydrophobicContact CE-CE 4.46Å; M144-M147 PolarHBondContact O-N 2.83Å; M144-M147 HydrophobicContact SD-CE 3.82Å; H145-M147 VanDerWaalsContact C-N 3.32Å; H145-M147 PolarHBondContact O-N 3.43Å; M147-E149 PolarHBondContact O-N 2.85Å; M147-E150 PolarHBondContact O-N 3.41Å; M147-Y151 WeakPolarHBondContact O-CB 3.14Å; M147-Y151 PolarHBondContact O-N 2.9Å; M147-F167 HydrophobicContact CE-CE2 3.62Å; M147-F167 HydrophobicContact CE-CZ 4.21Å; M147-L320 HydrophobicContact SD-CD1 3.85Å; M147-I516 HydrophobicContact CE-CD1 3.8Å; M147-I516 HydrophobicContact CE-CG1 4.26Å; M147-L517 HydrophobicContact CE-CD2 3.55Å; M147-L517 HydrophobicContact SD-CD2 3.85Å
148L97.1Very high95.5Very high3 Ų348.4 Ų48.42%0.01625%0.245CC..Hα-helixtrans-66.3-36-169.6-179.865000112.7F55 C83 V86 F87 L90 M144 Y152F55-L148 HydrophobicContact CD1-CB 4.38Å; F55-L148 HydrophobicContact CD1-CD2 4Å; F55-L148 HydrophobicContact CD1-CG 3.83Å; F55-L148 HydrophobicContact CE1-CG 4.18Å; C83-L148 HydrophobicContact CB-CD2 3.76Å; C83-L148 VanDerWaalsContact SG-CD2 3.54Å; V86-L148 HydrophobicContact CB-CD2 4.48Å; V86-L148 HydrophobicContact CG1-CD1 4.01Å; V86-L148 HydrophobicContact CG1-CD2 4.12Å; V86-L148 HydrophobicContact CG1-CG 4.08Å; F87-L148 HydrophobicContact CZ-CD1 4.26Å; L90-L148 HydrophobicContact CD1-CD1 4.34Å; M144-L148 HydrophobicContact CE-CB 4.4Å; M144-L148 HydrophobicContact CE-CD1 3.46Å; M144-L148 VanDerWaalsContact CE-CD1 3.46Å; M144-L148 HydrophobicContact CE-CG 4.46Å; M144-L148 VanDerWaalsContact O-CB 3.28Å; M144-L148 WeakPolarHBondContact O-CB 3.25Å; M144-L148 PolarHBondContact O-N 2.81Å; L148-Y152 VanDerWaalsContact O-CB 3.3Å; L148-Y152 WeakPolarHBondContact O-CB 3.28Å; L148-Y152 PolarHBondContact O-N 3.29Å
149E96.7Very high95.5Very high91 Ų9152.8 Ų52.843%0.42526%0.259SS..Hα-helixtrans-68.6-46.5179.8-171.4171.4172.500110.8F55 M147 Y152 S153F55-E149 HydrophobicContact CD1-CB 4.03Å; F55-E149 HydrophobicContact CE1-CB 4.13Å; F55-E149 HydrophobicContact CE1-CG 4.39Å; F55-E149 HydrophobicContact CG-CB 4.47Å; F55-E149 HydrophobicContact CZ-CG 4.41Å; M147-E149 PolarHBondContact O-N 2.85Å; E149-Y152 PolarHBondContact O-N 3.46Å; E149-S153 WeakPolarHBondContact O-CB 3.44Å; E149-S153 PolarHBondContact O-N 3.26Å
150E96.5Very high95.4Very high93 Ų9348.3 Ų48.344%0.43524%0.238SC..Hα-helixtrans-64.7-44.6175.4-6577.2-172.500111.1M147 S153 Y154 F314M147-E150 PolarHBondContact O-N 3.41Å; E150-S153 WeakPolarHBondContact O-CB 3.31Å; E150-S153 PolarHBondContact O-N 3.26Å; E150-Y154 WeakPolarHBondContact O-CB 3.41Å; E150-Y154 PolarHBondContact O-N 3.4Å; E150-F314 HydrophobicContact CB-CE2 4.05Å
151Y97.8Very high95.4Very high0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-59-48.8175.6176.3-99.8000110.8L90 F94 M147 S153 Y154 I155 P165 F167 F314L90-Y151 HydrophobicContact CD1-CD1 4.34Å; L90-Y151 HydrophobicContact CD1-CE1 4Å; L90-Y151 HydrophobicContact CD2-CD1 4.38Å; L90-Y151 HydrophobicContact CD2-CE1 3.93Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.23Å; M147-Y151 WeakPolarHBondContact O-CB 3.14Å; M147-Y151 PolarHBondContact O-N 2.9Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 3.43Å; Y151-Y154 WeakPolarHBondContact O-CB 3.45Å; Y151-Y154 PolarHBondContact O-N 2.96Å; Y151-I155 HydrophobicContact CD1-CG1 4.25Å; Y151-I155 HydrophobicContact CD2-CG1 4.39Å; Y151-I155 HydrophobicContact CE1-CG1 3.83Å; Y151-I155 HydrophobicContact CE2-CD1 3.94Å; Y151-I155 HydrophobicContact CE2-CG1 3.99Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.39Å; Y151-I155 PolarHBondContact O-N 3.15Å; Y151-P165 PolarHBondContact OH-O 2.86Å; Y151-F167 HydrophobicContact CD1-CD2 4.28Å; Y151-F167 HydrophobicContact CE1-CB 4.45Å; Y151-F167 AromaticContact CE1-CD2 3.77Å; Y151-F167 HydrophobicContact CE1-CD2 3.77Å; Y151-F167 HydrophobicContact CE2-CD2 4.02Å; Y151-F167 HydrophobicContact CE2-CE2 4.17Å; Y151-F167 AromaticContact CZ-CD2 3.63Å; Y151-F167 PolarHBondContact OH-N 2.99Å; Y151-F314 HydrophobicContact CD2-CE1 4.3Å; Y151-F314 HydrophobicContact CD2-CZ 4.17Å
152Y97.5Very high95.4Very high30 Ų3051.5 Ų51.512%0.11825%0.253CS..Hα-helixtrans-58.9-45.7176.9178.5-94.2000111.6L50 F55 V86 S89 L90 R93 L148 E149 Y154 I155 V156L50-Y152 HydrophobicContact CD1-CD1 4.27Å; L50-Y152 HydrophobicContact CD1-CD2 3.98Å; L50-Y152 HydrophobicContact CD1-CE1 3.77Å; L50-Y152 HydrophobicContact CD1-CE2 3.46Å; L50-Y152 VanDerWaalsContact CD1-CE2 3.46Å; L50-Y152 HydrophobicContact CD1-CG 4.36Å; F55-Y152 HydrophobicContact CE1-CG 4.24Å; F55-Y152 AromaticContact CZ-CD1 3.93Å; F55-Y152 HydrophobicContact CZ-CD1 3.93Å; F55-Y152 HydrophobicContact CZ-CG 4.02Å; V86-Y152 HydrophobicContact CG1-CD2 4.14Å; S89-Y152 PolarHBondContact OG-OH 3.43Å; L90-Y152 HydrophobicContact CD2-CD2 3.84Å; L90-Y152 HydrophobicContact CG-CD2 4.06Å; R93-Y152 PolarHBondContact NE-OH 3.5Å; R93-Y152 PolarHBondContact NH2-OH 2.94Å; L148-Y152 VanDerWaalsContact O-CB 3.3Å; L148-Y152 WeakPolarHBondContact O-CB 3.28Å; L148-Y152 PolarHBondContact O-N 3.29Å; E149-Y152 PolarHBondContact O-N 3.46Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 3.29Å; Y152-I155 PolarHBondContact O-N 2.93Å; Y152-V156 HydrophobicContact CD1-CG2 3.89Å; Y152-V156 HydrophobicContact CE1-CG2 3.5Å; Y152-V156 HydrophobicContact CE2-CG2 4.24Å; Y152-V156 HydrophobicContact CG-CG2 4.41Å; Y152-V156 WeakPolarHBondContact O-CG2 3.28Å; Y152-V156 PolarHBondContact O-N 2.9Å
153S96.7Very high95.4Very high50 Ų5046.8 Ų46.835%0.3523%0.231SC..Hα-helixtrans-58.8-42.6176.2-173.30000112.2E149 E150 Y151 V156 K157E149-S153 WeakPolarHBondContact O-CB 3.44Å; E149-S153 PolarHBondContact O-N 3.26Å; E150-S153 WeakPolarHBondContact O-CB 3.31Å; E150-S153 PolarHBondContact O-N 3.26Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 3.43Å; S153-V156 PolarHBondContact O-N 3.47Å; S153-K157 VanDerWaalsContact O-CG 3.32Å; S153-K157 WeakPolarHBondContact O-CG 3.33Å; S153-K157 PolarHBondContact O-N 3.44Å
154Y97.4Very high95.6Very high42 Ų4246 Ų4617%0.16523%0.228CC..Hα-helixtrans-61.8-47.9176.4-176.7-105.1000111.9E150 Y151 Y152 V156 K157 G158 L164 C310 D311 F314E150-Y154 WeakPolarHBondContact O-CB 3.41Å; E150-Y154 PolarHBondContact O-N 3.4Å; Y151-Y154 WeakPolarHBondContact O-CB 3.45Å; Y151-Y154 PolarHBondContact O-N 2.96Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 3.29Å; Y154-V156 VanDerWaalsContact C-N 3.33Å; Y154-V156 PolarHBondContact O-N 3.37Å; Y154-K157 PolarHBondContact O-N 3.48Å; Y154-G158 PolarHBondContact O-N 3.33Å; Y154-L164 HydrophobicContact CD1-CD1 3.9Å; Y154-L164 HydrophobicContact CE1-CD1 3.62Å; Y154-C310 WeakPolarHBondContact OH-CB 3.42Å; Y154-C310 PolarHBondContact OH-O 2.99Å; Y154-D311 VanDerWaalsContact CE1-OD1 3.29Å; Y154-D311 WeakPolarHBondContact CE1-OD1 3.42Å; Y154-D311 VanDerWaalsContact CZ-OD1 3.31Å; Y154-D311 WeakPolarHBondContact OH-CA 3.42Å; Y154-D311 PolarHBondContact OH-N 2.85Å; Y154-D311 VanDerWaalsContact OH-N 3.11Å; Y154-D311 PolarHBondContact OH-OD1 3.04Å; Y154-F314 HydrophobicContact CD1-CD2 4.32Å; Y154-F314 HydrophobicContact CD1-CG 4.22Å; Y154-F314 HydrophobicContact CD2-CB 3.96Å; Y154-F314 AromaticContact CD2-CD2 3.92Å; Y154-F314 HydrophobicContact CD2-CD2 3.92Å; Y154-F314 HydrophobicContact CD2-CG 4.11Å; Y154-F314 HydrophobicContact CE1-CB 4.48Å; Y154-F314 HydrophobicContact CE2-CB 3.87Å; Y154-F314 HydrophobicContact CE2-CG 4.44Å; Y154-F314 HydrophobicContact CG-CB 4.32Å; Y154-F314 AromaticContact CG-CD2 3.73Å; Y154-F314 HydrophobicContact CG-CD2 3.73Å; Y154-F314 HydrophobicContact CG-CE2 4.26Å; Y154-F314 HydrophobicContact CG-CG 4.01Å
155I97.3Very high95.7Very high2 Ų246.4 Ų46.41%0.0123%0.23CC..Hα-helixtrans-62.1-38.9177.3-64.3-52.5000112.2L90 R93 F94 Y151 Y152 H159 G160 T162L90-I155 HydrophobicContact CD2-CB 4.24Å; L90-I155 HydrophobicContact CD2-CG1 4.23Å; L90-I155 HydrophobicContact CD2-CG2 4.07Å; R93-I155 HydrophobicContact CB-CG2 4.29Å; F94-I155 HydrophobicContact CD1-CG2 4.43Å; F94-I155 HydrophobicContact CE1-CD1 3.85Å; F94-I155 HydrophobicContact CE1-CG1 4.2Å; F94-I155 HydrophobicContact CE1-CG2 3.59Å; F94-I155 HydrophobicContact CZ-CB 4.43Å; F94-I155 HydrophobicContact CZ-CD1 3.78Å; F94-I155 HydrophobicContact CZ-CG1 3.81Å; F94-I155 HydrophobicContact CZ-CG2 3.71Å; Y151-I155 HydrophobicContact CD1-CG1 4.25Å; Y151-I155 HydrophobicContact CD2-CG1 4.39Å; Y151-I155 HydrophobicContact CE1-CG1 3.83Å; Y151-I155 HydrophobicContact CE2-CD1 3.94Å; Y151-I155 HydrophobicContact CE2-CG1 3.99Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.39Å; Y151-I155 PolarHBondContact O-N 3.15Å; Y152-I155 PolarHBondContact O-N 2.93Å; I155-H159 PolarHBondContact O-N 2.92Å; I155-H159 VanDerWaalsContact O-N 3.11Å; I155-G160 PolarHBondContact O-N 2.9Å; I155-T162 HydrophobicContact CD1-CG2 3.62Å
156V95.7Very high95.8Very high45 Ų4543.6 Ų43.627%0.27322%0.217SC..Hα-helixtrans-62.6-46.7176.3176.20000110.8Y152 S153 Y154 H159Y152-V156 HydrophobicContact CD1-CG2 3.89Å; Y152-V156 HydrophobicContact CE1-CG2 3.5Å; Y152-V156 HydrophobicContact CE2-CG2 4.24Å; Y152-V156 HydrophobicContact CG-CG2 4.41Å; Y152-V156 WeakPolarHBondContact O-CG2 3.28Å; Y152-V156 PolarHBondContact O-N 2.9Å; S153-V156 PolarHBondContact O-N 3.47Å; Y154-V156 VanDerWaalsContact C-N 3.33Å; Y154-V156 PolarHBondContact O-N 3.37Å; V156-H159 PolarHBondContact O-N 3.24Å
157K95.3Very high96Very high157 Ų15740.1 Ų40.168%0.68320%0.201SC*.Hα-helixtrans-67.3-41.3-179.3-70.8171.2-177.3176.40112.4S153 Y154 H159S153-K157 VanDerWaalsContact O-CG 3.32Å; S153-K157 WeakPolarHBondContact O-CG 3.33Å; S153-K157 PolarHBondContact O-N 3.44Å; Y154-K157 PolarHBondContact O-N 3.48Å; K157-H159 VanDerWaalsContact C-N 3.28Å; K157-H159 PolarHBondContact O-N 3.45Å
158G92.7Very high96.1Very high30 Ų3040.1 Ų40.131%0.30920%0.201SC..THydrogen-bonded Turntrans-82.22.8179.100000114.6Y154 G160 Q161Y154-G158 PolarHBondContact O-N 3.33Å; G158-G160 PolarHBondContact O-N 3.24Å; G158-G160 VanDerWaalsContact O-N 3.15Å; G158-Q161 WeakPolarHBondContact O-CB 3.45Å; G158-Q161 PolarHBondContact O-N 3.27Å
159H93.3Very high96.2Very high157 Ų15740 Ų4073%0.72720%0.2SC*.THydrogen-bonded Turntrans50.636.8-175.1-59.7-76.7000113.7I155 V156 K157 Q161I155-H159 PolarHBondContact O-N 2.92Å; I155-H159 VanDerWaalsContact O-N 3.11Å; V156-H159 PolarHBondContact O-N 3.24Å; K157-H159 VanDerWaalsContact C-N 3.28Å; K157-H159 PolarHBondContact O-N 3.45Å; H159-Q161 PolarHBondContact O-N 3.01Å
160G90.3Very high96.2Very high3 Ų335.7 Ų35.73%0.03118%0.18CC..THydrogen-bonded Turntrans70.42.2-177.600000115.7I155 G158 T162 H494I155-G160 PolarHBondContact O-N 2.9Å; G158-G160 PolarHBondContact O-N 3.24Å; G158-G160 VanDerWaalsContact O-N 3.15Å; G160-T162 PolarHBondContact O-N 3.23Å; G160-H494 PolarHBondContact O-CE1 3.3Å; G160-H494 VanDerWaalsContact O-CE1 3.32Å
161Q92.7Very high96.3Very high106 Ų10631.3 Ų31.350%0.49516%0.16SC..  trans-83.694.3175.7-60-63.1-58.200109.6G158 H159G158-Q161 WeakPolarHBondContact O-CB 3.45Å; G158-Q161 PolarHBondContact O-N 3.27Å; H159-Q161 PolarHBondContact O-N 3.01Å
162T96.5Very high96.4Very high4 Ų433.1 Ų33.13%0.02517%0.167CC..  trans-152.4153.6-178.5176.80000109.8I155 G160 L164 D311 H494I155-T162 HydrophobicContact CD1-CG2 3.62Å; G160-T162 PolarHBondContact O-N 3.23Å; T162-L164 HydrophobicContact CG2-CB 4.25Å; T162-L164 VanDerWaalsContact OG1-CB 3.3Å; T162-L164 WeakPolarHBondContact OG1-CB 3.45Å; T162-L164 VanDerWaalsContact OG1-CG 3.29Å; T162-L164 WeakPolarHBondContact OG1-CG 3.41Å; T162-L164 PolarHBondContact OG1-N 3.05Å; T162-D311 WeakPolarHBondContact CB-OD1 3.28Å; T162-D311 PolarHBondContact OG1-OD1 3.03Å; T162-D311 PolarHBondContact OG1-OD2 2.96Å; T162-H494 PolarHBondContact O-NE2 3.22Å
163L96.8Very high96.4Very high15 Ų1531.7 Ų31.78%0.07916%0.161CC..SBendtrans-87.7-6.2168.5-56.1177.2000112M304 T307 L308 D311 V511 A512 I513L163-M304 HydrophobicContact CD1-CG 4.31Å; L163-T307 HydrophobicContact CG-CG2 4.04Å; L163-L308 HydrophobicContact CD1-CB 3.99Å; L163-L308 HydrophobicContact CD1-CD1 4.11Å; L163-D311 WeakPolarHBondContact CA-OD2 3.38Å; L163-D311 VanDerWaalsContact CB-OD2 3.27Å; L163-D311 WeakPolarHBondContact CB-OD2 3.25Å; L163-D311 PolarHBondContact N-OD2 3.15Å; L163-V511 WeakPolarHBondContact CD2-O 3.42Å; L163-A512 WeakPolarHBondContact O-CA 3.34Å; L163-I513 HydrophobicContact CB-CG1 4.29Å; L163-I513 PolarHBondContact O-N 3.18Å
164L97.5Very high96.4Very high0 Ų029.6 Ų29.60%015%0.146CC..SBendtrans-63.7156.5174-62.9173.6000111.5Y154 T162 Q166 D311 F314 L315 Y495 I513 I516Y154-L164 HydrophobicContact CD1-CD1 3.9Å; Y154-L164 HydrophobicContact CE1-CD1 3.62Å; T162-L164 HydrophobicContact CG2-CB 4.25Å; T162-L164 VanDerWaalsContact OG1-CB 3.3Å; T162-L164 WeakPolarHBondContact OG1-CB 3.45Å; T162-L164 VanDerWaalsContact OG1-CG 3.29Å; T162-L164 WeakPolarHBondContact OG1-CG 3.41Å; T162-L164 PolarHBondContact OG1-N 3.05Å; L164-Q166 PolarHBondContact O-N 2.79Å; L164-D311 HydrophobicContact CD2-CB 4.2Å; L164-D311 HydrophobicContact CG-CB 4.05Å; L164-F314 HydrophobicContact CD1-CD1 3.55Å; L164-F314 HydrophobicContact CD1-CE1 3.9Å; L164-F314 HydrophobicContact CD1-CG 4.37Å; L164-L315 HydrophobicContact CD2-CD1 3.96Å; L164-L315 HydrophobicContact CD2-CD2 3.89Å; L164-L315 HydrophobicContact CD2-CG 3.99Å; L164-Y495 PolarHBondContact O-OH 2.96Å; L164-I513 HydrophobicContact CD2-CB 4.35Å; L164-I513 HydrophobicContact CD2-CD1 3.97Å; L164-I513 HydrophobicContact CD2-CG2 4.45Å; L164-I516 HydrophobicContact CD2-CD1 4.31Å; L164-I516 HydrophobicContact CD2-CG2 4.3Å
165P97.3Very high96.1Very high8 Ų828.1 Ų28.15%0.05214%0.141CC..  trans-60.5123.6174.4-2132.3000111.3Y151 F167 M185 I513 I516Y151-P165 PolarHBondContact OH-O 2.86Å; P165-F167 HydrophobicContact CB-CD1 4.28Å; P165-F167 HydrophobicContact CB-CE1 3.71Å; P165-F167 HydrophobicContact CB-CZ 3.94Å; P165-F167 HydrophobicContact CG-CE1 4.39Å; P165-F167 HydrophobicContact CG-CZ 4.26Å; P165-F167 PolarHBondContact O-N 2.82Å; P165-M185 HydrophobicContact CB-SD 4.19Å; P165-I513 VanDerWaalsContact CD-O 3.25Å; P165-I513 WeakPolarHBondContact CD-O 3.32Å; P165-I513 VanDerWaalsContact CG-O 3.27Å; P165-I513 WeakPolarHBondContact CG-O 3.35Å; P165-I516 HydrophobicContact CG-CD1 4.37Å; P165-I516 HydrophobicContact CG-CG1 4.3Å
166Q97.5Very high95.7Very high2 Ų233.5 Ų33.51%0.00917%0.17CC..  trans-76.293.5174.9-68.1-175.2-1.500110.5F94 L164 L168 M185 R186 H494 Y495F94-Q166 HydrophobicContact CD1-CB 4.21Å; F94-Q166 VanDerWaalsContact CD1-CD 3.42Å; F94-Q166 HydrophobicContact CD1-CG 3.67Å; F94-Q166 HydrophobicContact CD2-CB 3.9Å; F94-Q166 HydrophobicContact CD2-CG 4.28Å; F94-Q166 HydrophobicContact CE1-CB 4.16Å; F94-Q166 HydrophobicContact CE1-CG 3.6Å; F94-Q166 HydrophobicContact CE2-CB 3.83Å; F94-Q166 HydrophobicContact CE2-CG 4.21Å; F94-Q166 HydrophobicContact CG-CB 4.1Å; F94-Q166 HydrophobicContact CG-CG 4.03Å; F94-Q166 HydrophobicContact CZ-CB 3.97Å; F94-Q166 HydrophobicContact CZ-CG 3.88Å; L164-Q166 PolarHBondContact O-N 2.79Å; Q166-L168 WeakPolarHBondContact O-CG 3.41Å; Q166-M185 WeakPolarHBondContact O-CA 3.31Å; Q166-M185 WeakPolarHBondContact O-CB 3.16Å; Q166-R186 HydrophobicContact CB-CB 4.02Å; Q166-R186 PolarHBondContact O-N 2.81Å; Q166-R186 VanDerWaalsContact O-N 3.1Å; Q166-H494 PolarHBondContact NE2-CD2 2.85Å; Q166-H494 VanDerWaalsContact NE2-CD2 3.32Å; Q166-H494 PolarHBondContact NE2-CE1 3.28Å; Q166-H494 VanDerWaalsContact NE2-CE1 3.29Å; Q166-H494 PolarHBondContact NE2-ND1 2.81Å; Q166-H494 PolarHBondContact NE2-NE2 2.82Å; Q166-Y495 PolarHBondContact N-OH 3.36Å
167F98.1Very high95.3Very high4 Ų437.6 Ų37.62%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-72.2130.7177.9-54.4-57.5000112.9F87 M144 M147 Y151 P165 L183 M185 I516F87-F167 HydrophobicContact CE1-CB 3.95Å; M144-F167 HydrophobicContact CE-CB 4.44Å; M144-F167 HydrophobicContact CE-CD2 3.64Å; M144-F167 HydrophobicContact CE-CE2 4.13Å; M144-F167 HydrophobicContact CE-CG 4.19Å; M144-F167 HydrophobicContact SD-CD2 3.95Å; M144-F167 HydrophobicContact SD-CE2 3.92Å; M144-F167 HydrophobicContact SD-CG 4.42Å; M144-F167 HydrophobicContact SD-CZ 4.38Å; M147-F167 HydrophobicContact CE-CE2 3.62Å; M147-F167 HydrophobicContact CE-CZ 4.21Å; Y151-F167 HydrophobicContact CD1-CD2 4.28Å; Y151-F167 HydrophobicContact CE1-CB 4.45Å; Y151-F167 AromaticContact CE1-CD2 3.77Å; Y151-F167 HydrophobicContact CE1-CD2 3.77Å; Y151-F167 HydrophobicContact CE2-CD2 4.02Å; Y151-F167 HydrophobicContact CE2-CE2 4.17Å; Y151-F167 AromaticContact CZ-CD2 3.63Å; Y151-F167 PolarHBondContact OH-N 2.99Å; P165-F167 HydrophobicContact CB-CD1 4.28Å; P165-F167 HydrophobicContact CB-CE1 3.71Å; P165-F167 HydrophobicContact CB-CZ 3.94Å; P165-F167 HydrophobicContact CG-CE1 4.39Å; P165-F167 HydrophobicContact CG-CZ 4.26Å; P165-F167 PolarHBondContact O-N 2.82Å; F167-L183 HydrophobicContact CB-CD1 4.43Å; F167-L183 HydrophobicContact CD1-CD1 3.86Å; F167-L183 HydrophobicContact CD1-CD2 3.72Å; F167-L183 HydrophobicContact CD1-CG 3.86Å; F167-L183 HydrophobicContact CE1-CD1 4.47Å; F167-L183 HydrophobicContact CE1-CD2 3.5Å; F167-L183 VanDerWaalsContact CE1-CD2 3.5Å; F167-L183 HydrophobicContact CE1-CG 4.15Å; F167-L183 HydrophobicContact CG-CD1 4.31Å; F167-L183 HydrophobicContact CZ-CD2 4.33Å; F167-M185 HydrophobicContact CD1-CB 4.28Å; F167-M185 HydrophobicContact CD1-CE 4.48Å; F167-M185 HydrophobicContact CE1-CE 4.25Å; F167-I516 HydrophobicContact CE2-CD1 3.87Å; F167-I516 HydrophobicContact CE2-CG1 4.45Å; F167-I516 HydrophobicContact CZ-CD1 3.83Å; F167-I516 HydrophobicContact CZ-CG1 3.94Å
168L97.9Very high95.3Very high0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-122.2-14.2-170.7-52.4177.5000114.1R91 F94 V96 Y101 F131 Q166 V184R91-L168 HydrophobicContact CG-CB 4.06Å; R91-L168 HydrophobicContact CG-CD2 4.04Å; R91-L168 PolarHBondContact NH1-O 2.79Å; F94-L168 HydrophobicContact CD2-CD2 3.67Å; F94-L168 HydrophobicContact CE2-CD2 4.4Å; V96-L168 HydrophobicContact CG2-CD1 4.22Å; V96-L168 HydrophobicContact CG2-CD2 3.98Å; Y101-L168 HydrophobicContact CD2-CB 4.45Å; Y101-L168 HydrophobicContact CD2-CD1 4.23Å; Y101-L168 HydrophobicContact CE2-CB 3.7Å; Y101-L168 HydrophobicContact CE2-CD1 4.01Å; F131-L168 HydrophobicContact CD1-CD1 3.27Å; F131-L168 HydrophobicContact CE1-CD1 3.35Å; F131-L168 HydrophobicContact CG-CD1 4.32Å; F131-L168 HydrophobicContact CZ-CD1 4.44Å; Q166-L168 WeakPolarHBondContact O-CG 3.41Å; L168-V184 HydrophobicContact CB-CG1 4.23Å; L168-V184 PolarHBondContact N-O 3.44Å
169G98.1Very high95.4Very high0 Ų039.8 Ų39.80%020%0.195CC..EExtended strand (participates in β ladder)trans-177.3146.7177.200000112.4V184G169-V184 PolarHBondContact N-O 3.24Å; G169-V184 PolarHBondContact O-N 3.01Å
170L98.5Very high95.5Very high2 Ų233.7 Ų33.71%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-129.1122.6176176.961.7000109.6Y82 F87 I136 V141 M144 L183Y82-L170 HydrophobicContact CD2-CD2 4.19Å; Y82-L170 HydrophobicContact CD2-CG 3.84Å; Y82-L170 HydrophobicContact CG-CD2 4.18Å; Y82-L170 HydrophobicContact CG-CG 4.26Å; Y82-L170 PolarHBondContact N-O 3.16Å; F87-L170 HydrophobicContact CE2-CB 3.59Å; F87-L170 HydrophobicContact CZ-CB 3.61Å; I136-L170 HydrophobicContact CD1-CD1 3.87Å; V141-L170 HydrophobicContact CG1-CD2 4.34Å; V141-L170 HydrophobicContact CG2-CD1 4.35Å; M144-L170 HydrophobicContact CB-CD2 4.46Å; M144-L170 HydrophobicContact CG-CD2 4.05Å; L170-L183 HydrophobicContact CB-CD1 4.29Å; L170-L183 HydrophobicContact CD1-CB 4.31Å; L170-L183 HydrophobicContact CD1-CD1 4.1Å
171Y98.4Very high95.9Very high0 Ų035.5 Ų35.50%018%0.176CC..EExtended strand (participates in β ladder)trans-128.8147.2-171.2-49.6-70000111.5L30 I34 F79 K80 E81 Y101 Y181 I182 V184L30-Y171 HydrophobicContact CD1-CD2 4.18Å; I34-Y171 HydrophobicContact CD1-CE2 4.36Å; I34-Y171 HydrophobicContact CG1-CE2 4.35Å; F79-Y171 HydrophobicContact CE1-CD1 4.45Å; F79-Y171 AromaticContact CE2-CD1 3.76Å; F79-Y171 HydrophobicContact CE2-CD1 3.76Å; F79-Y171 HydrophobicContact CE2-CE1 4.46Å; F79-Y171 HydrophobicContact CE2-CG 4.16Å; F79-Y171 AromaticContact CZ-CD1 3.42Å; F79-Y171 HydrophobicContact CZ-CD1 3.42Å; F79-Y171 VanDerWaalsContact CZ-CD1 3.42Å; F79-Y171 AromaticContact CZ-CE1 3.85Å; F79-Y171 HydrophobicContact CZ-CE1 3.85Å; F79-Y171 HydrophobicContact CZ-CG 4.28Å; K80-Y171 CarbonylContact O-C 3.57Å; K80-Y171 VanDerWaalsContact O-CA 3.26Å; K80-Y171 WeakPolarHBondContact O-CA 3.46Å; E81-Y171 HydrophobicContact CB-CD1 3.94Å; E81-Y171 HydrophobicContact CB-CE1 4.07Å; E81-Y171 HydrophobicContact CG-CD1 3.94Å; E81-Y171 HydrophobicContact CG-CE1 3.66Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.34Å; Y101-Y171 PolarHBondContact OH-OH 2.84Å; Y171-Y181 CarbonylContact O-C 3.49Å; Y171-Y181 WeakPolarHBondContact O-CA 3.34Å; Y171-I182 PolarHBondContact N-O 3.04Å; Y171-I182 PolarHBondContact O-N 2.77Å; Y171-V184 HydrophobicContact CD2-CG2 4.09Å; Y171-V184 HydrophobicContact CE2-CB 4.37Å; Y171-V184 HydrophobicContact CE2-CG2 3.64Å
172R98.3Very high96.1Very high39 Ų3930.5 Ų30.515%0.14715%0.153CC..EExtended strand (participates in β ladder)trans-117.7124.3162.3177.3-178.977.7163.8-4109.3K80 Y82 E179 S180 Y181K80-R172 HydrophobicContact CB-CB 4.23Å; K80-R172 PolarHBondContact N-O 3.33Å; K80-R172 PolarHBondContact O-N 2.82Å; Y82-R172 HydrophobicContact CE2-CB 3.73Å; R172-E179 WeakPolarHBondContact CD-OE2 3.15Å; R172-E179 IonicContact CZ-OE1 2.77Å; R172-E179 IonicContact CZ-OE2 3.8Å; R172-E179 IonicContact NE-OE2 2.63Å; R172-E179 IonicContact NH1-OE1 3.09Å; R172-E179 PolarHBondContact NH1-OE1 3.23Å; R172-E179 VanDerWaalsContact NH1-OE1 3.12Å; R172-E179 IonicContact NH1-OE2 2.91Å; R172-E179 PolarHBondContact NH1-OE2 3.11Å; R172-S180 WeakPolarHBondContact CA-O 3.28Å; R172-Y181 HydrophobicContact CB-CD1 3.81Å; R172-Y181 HydrophobicContact CB-CE1 4Å; R172-Y181 VanDerWaalsContact CD-CE1 3.47Å; R172-Y181 HydrophobicContact CG-CD1 3.92Å; R172-Y181 HydrophobicContact CG-CE1 3.77Å
173L97.4Very high96.1Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-107.7132.6175.8-46.5-174.7000108.1L26 V29 L30 F79 E179 S180 I182L26-L173 HydrophobicContact CD1-CB 3.88Å; L26-L173 HydrophobicContact CD1-CD1 3.64Å; L26-L173 HydrophobicContact CD1-CG 4.35Å; L26-L173 HydrophobicContact CG-CD1 4.08Å; V29-L173 HydrophobicContact CG1-CB 4.42Å; V29-L173 HydrophobicContact CG1-CD2 4.26Å; L30-L173 HydrophobicContact CB-CD1 3.82Å; L30-L173 HydrophobicContact CD1-CD1 4.27Å; F79-L173 HydrophobicContact CD2-CD2 3.38Å; F79-L173 HydrophobicContact CE2-CD2 3.82Å; F79-L173 HydrophobicContact CG-CD2 4.49Å; L173-E179 CarbonylContact O-C 3.6Å; L173-E179 WeakPolarHBondContact O-CA 3.47Å; L173-S180 PolarHBondContact N-O 3.49Å; L173-S180 PolarHBondContact O-N 2.64Å; L173-I182 HydrophobicContact CD1-CD1 3.52Å; L173-I182 HydrophobicContact CD1-CG1 4.37Å; L173-I182 HydrophobicContact CG-CD1 4.26Å
174T96.5Very high96.2Very high5 Ų529.6 Ų29.63%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-115.4115.4168.6-49.10000107.9F77 K78 Q178 E179F77-T174 CarbonylContact C-O 3.55Å; F77-T174 WeakPolarHBondContact CA-O 3.39Å; F77-T174 VanDerWaalsContact CB-O 3.28Å; F77-T174 WeakPolarHBondContact CB-O 3.37Å; K78-T174 HydrophobicContact CD-CG2 4.32Å; K78-T174 PolarHBondContact N-O 2.94Å; K78-T174 PolarHBondContact O-N 2.84Å; T174-Q178 VanDerWaalsContact CA-O 3.31Å; T174-Q178 WeakPolarHBondContact CA-O 3.39Å; T174-E179 HydrophobicContact CG2-CG 4.21Å
175V92.7Very high96.2Very high11 Ų1130.9 Ų30.97%0.06716%0.155CC..EExtended strand (participates in β ladder)trans-130.9128.3177.9-173.70000108.1P25 L26 V29 P74 F77 D177 Q178P25-V175 HydrophobicContact CB-CG1 3.7Å; L26-V175 HydrophobicContact CD1-CG2 4.34Å; V29-V175 HydrophobicContact CB-CG2 4.03Å; V29-V175 HydrophobicContact CG1-CG2 4.18Å; V29-V175 HydrophobicContact CG2-CG2 3.81Å; P74-V175 HydrophobicContact CB-CG1 3.95Å; P74-V175 HydrophobicContact CG-CG1 3.81Å; F77-V175 HydrophobicContact CB-CG2 4.4Å; V175-D177 PolarHBondContact O-N 3.15Å; V175-Q178 PolarHBondContact N-O 2.65Å; V175-Q178 PolarHBondContact O-N 3.25Å
176N88.1Confident96.1Very high116 Ų11631.1 Ų31.162%0.6216%0.155SC*.THydrogen-bonded Turntrans50.344.2-175.4-55.6-27.2000112.4Q178N176-Q178 PolarHBondContact O-N 2.88Å
177D88.2Confident96Very high130 Ų13031.8 Ų31.870%0.69516%0.158SC*.THydrogen-bonded Turntrans60.18.5-178.1-54.9-49.5000115.9V175V175-D177 PolarHBondContact O-N 3.15Å
178Q93.8Very high95.8Very high148 Ų14832.4 Ų32.469%0.69216%0.162SC*.EExtended strand (participates in β ladder)trans-93.7123.9170.3-63.5-171.5-20.300110.3T174 V175 N176T174-Q178 VanDerWaalsContact CA-O 3.31Å; T174-Q178 WeakPolarHBondContact CA-O 3.39Å; V175-Q178 PolarHBondContact N-O 2.65Å; V175-Q178 PolarHBondContact O-N 3.25Å; N176-Q178 PolarHBondContact O-N 2.88Å
179E95.6Very high95.6Very high85 Ų8532.5 Ų32.540%0.39716%0.163SC..EExtended strand (participates in β ladder)trans-87.1134.7173.7-57.2-160.6159.500110.6R172 L173 T174 Y181R172-E179 WeakPolarHBondContact CD-OE2 3.15Å; R172-E179 IonicContact CZ-OE1 2.77Å; R172-E179 IonicContact CZ-OE2 3.8Å; R172-E179 IonicContact NE-OE2 2.63Å; R172-E179 IonicContact NH1-OE1 3.09Å; R172-E179 PolarHBondContact NH1-OE1 3.23Å; R172-E179 VanDerWaalsContact NH1-OE1 3.12Å; R172-E179 IonicContact NH1-OE2 2.91Å; R172-E179 PolarHBondContact NH1-OE2 3.11Å; L173-E179 CarbonylContact O-C 3.6Å; L173-E179 WeakPolarHBondContact O-CA 3.47Å; T174-E179 HydrophobicContact CG2-CG 4.21Å; E179-Y181 PolarHBondContact OE2-OH 2.83Å
180S95.5Very high95.2Very high30 Ų3032.9 Ų32.921%0.2117%0.165CC..EExtended strand (participates in β ladder)trans-133.9132.3173.8-64.80000109.2R172 L173R172-S180 WeakPolarHBondContact CA-O 3.28Å; L173-S180 PolarHBondContact N-O 3.49Å; L173-S180 PolarHBondContact O-N 2.64Å
181Y97.6Very high94.7Very high40 Ų4034.4 Ų34.416%0.15718%0.175CC..EExtended strand (participates in β ladder)trans-102.8132.3178.1-53.6-90.2000109.7T135 I136 V141 Y171 R172 E179T135-Y181 CarbonylContact C-O 3.52Å; T135-Y181 VanDerWaalsContact CA-O 3.29Å; T135-Y181 WeakPolarHBondContact CA-O 3.32Å; I136-Y181 PolarHBondContact N-O 3.24Å; I136-Y181 WeakPolarHBondContact O-CB 3.27Å; V141-Y181 HydrophobicContact CG2-CD1 3.56Å; V141-Y181 HydrophobicContact CG2-CD2 4.41Å; V141-Y181 HydrophobicContact CG2-CE1 4.25Å; V141-Y181 HydrophobicContact CG2-CG 3.64Å; Y171-Y181 CarbonylContact O-C 3.49Å; Y171-Y181 WeakPolarHBondContact O-CA 3.34Å; R172-Y181 HydrophobicContact CB-CD1 3.81Å; R172-Y181 HydrophobicContact CB-CE1 4Å; R172-Y181 VanDerWaalsContact CD-CE1 3.47Å; R172-Y181 HydrophobicContact CG-CD1 3.92Å; R172-Y181 HydrophobicContact CG-CE1 3.77Å; E179-Y181 PolarHBondContact OE2-OH 2.83Å
182I97.2Very high94.2Very high1 Ų138 Ų381%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-125.4121.6-175.8-60.8-170.3000109L30 A133 K134 Y171 L173 V184L30-I182 HydrophobicContact CD1-CD1 4.25Å; L30-I182 HydrophobicContact CD2-CD1 4.03Å; A133-I182 HydrophobicContact CB-CG2 3.54Å; K134-I182 WeakPolarHBondContact O-CA 3.23Å; Y171-I182 PolarHBondContact N-O 3.04Å; Y171-I182 PolarHBondContact O-N 2.77Å; L173-I182 HydrophobicContact CD1-CD1 3.52Å; L173-I182 HydrophobicContact CD1-CG1 4.37Å; L173-I182 HydrophobicContact CG-CD1 4.26Å; I182-V184 HydrophobicContact CG2-CG2 4.31Å
183L97.8Very high93.8Very high1 Ų136.8 Ų36.81%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-107116.2173.7-178.764.7000109.3A133 K134 I136 F167 L170 M185 L517A133-L183 CarbonylContact C-O 3.48Å; A133-L183 WeakPolarHBondContact CA-O 3.37Å; K134-L183 PolarHBondContact N-O 3.26Å; K134-L183 PolarHBondContact O-N 2.65Å; I136-L183 HydrophobicContact CD1-CB 3.98Å; I136-L183 HydrophobicContact CD1-CD2 4.4Å; I136-L183 HydrophobicContact CG1-CB 4.37Å; I136-L183 HydrophobicContact CG2-CB 4.15Å; I136-L183 HydrophobicContact CG2-CD2 4.49Å; F167-L183 HydrophobicContact CB-CD1 4.43Å; F167-L183 HydrophobicContact CD1-CD1 3.86Å; F167-L183 HydrophobicContact CD1-CD2 3.72Å; F167-L183 HydrophobicContact CD1-CG 3.86Å; F167-L183 HydrophobicContact CE1-CD1 4.47Å; F167-L183 HydrophobicContact CE1-CD2 3.5Å; F167-L183 VanDerWaalsContact CE1-CD2 3.5Å; F167-L183 HydrophobicContact CE1-CG 4.15Å; F167-L183 HydrophobicContact CG-CD1 4.31Å; F167-L183 HydrophobicContact CZ-CD2 4.33Å; L170-L183 HydrophobicContact CB-CD1 4.29Å; L170-L183 HydrophobicContact CD1-CB 4.31Å; L170-L183 HydrophobicContact CD1-CD1 4.1Å; L183-M185 HydrophobicContact CD2-CE 4.03Å; L183-M185 HydrophobicContact CG-CE 4.05Å; L183-L517 HydrophobicContact CD2-CD1 3.76Å
184V97.9Very high93.4Very high0 Ų039.1 Ų39.10%020%0.204CC..EExtended strand (participates in β ladder)trans-92.2134.2178.1179.10000110.2Y101 F105 F131 V132 A133 L168 G169 Y171 I182Y101-V184 HydrophobicContact CE2-CG1 3.81Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.22Å; F105-V184 HydrophobicContact CE1-CG2 4.31Å; F105-V184 HydrophobicContact CE2-CG1 3.83Å; F105-V184 HydrophobicContact CZ-CB 4.34Å; F105-V184 HydrophobicContact CZ-CG1 3.53Å; F105-V184 HydrophobicContact CZ-CG2 3.78Å; F131-V184 HydrophobicContact CB-CG1 4.27Å; V132-V184 WeakPolarHBondContact O-CA 3.15Å; A133-V184 HydrophobicContact CB-CG2 3.8Å; L168-V184 HydrophobicContact CB-CG1 4.23Å; L168-V184 PolarHBondContact N-O 3.44Å; G169-V184 PolarHBondContact N-O 3.24Å; G169-V184 PolarHBondContact O-N 3.01Å; Y171-V184 HydrophobicContact CD2-CG2 4.09Å; Y171-V184 HydrophobicContact CE2-CB 4.37Å; Y171-V184 HydrophobicContact CE2-CG2 3.64Å; I182-V184 HydrophobicContact CG2-CG2 4.31Å
185M97.4Very high93.2Very high27 Ų2739.6 Ų39.613%0.13321%0.206CC..EExtended strand (participates in β ladder)trans-140.9161.9176.563.1-16379.700111.4F131 V132 K134 P165 Q166 F167 L183F131-M185 WeakPolarHBondContact CA-O 3.37Å; V132-M185 HydrophobicContact CB-CG 4.37Å; V132-M185 PolarHBondContact N-O 3.1Å; V132-M185 PolarHBondContact O-N 3.3Å; K134-M185 HydrophobicContact CB-CE 3.89Å; K134-M185 HydrophobicContact CD-CE 4.44Å; P165-M185 HydrophobicContact CB-SD 4.19Å; Q166-M185 WeakPolarHBondContact O-CA 3.31Å; Q166-M185 WeakPolarHBondContact O-CB 3.16Å; F167-M185 HydrophobicContact CD1-CB 4.28Å; F167-M185 HydrophobicContact CD1-CE 4.48Å; F167-M185 HydrophobicContact CE1-CE 4.25Å; L183-M185 HydrophobicContact CD2-CE 4.03Å; L183-M185 HydrophobicContact CG-CE 4.05Å
186R96.5Very high93Very high13 Ų1341.4 Ų41.45%0.04921%0.214CC..EExtended strand (participates in β ladder)trans-61.1140.9169.7-174.1179.1-68.4-78.512.1110.2F94 Q166 T491F94-R186 PolarHBondContact O-NH2 3.46Å; Q166-R186 HydrophobicContact CB-CB 4.02Å; Q166-R186 PolarHBondContact O-N 2.81Å; Q166-R186 VanDerWaalsContact O-N 3.1Å; R186-T491 PolarHBondContact NH1-O 2.87Å
187N94.3Very high93Very high15 Ų1541.1 Ų41.18%0.0821%0.207CC..  trans-66.2135.2171-164.6-8000110.4R129 Q130 V132 F189R129-N187 VanDerWaalsContact O-CB 3.28Å; R129-N187 WeakPolarHBondContact O-CB 3.43Å; R129-N187 PolarHBondContact O-ND2 2.85Å; Q130-N187 WeakPolarHBondContact O-CB 3.13Å; Q130-N187 PolarHBondContact O-N 3.03Å; V132-N187 HydrophobicContact CG2-CB 3.87Å; N187-F189 VanDerWaalsContact C-N 3.3Å; N187-F189 PolarHBondContact OD1-N 3.42Å
188V94.7Very high93.2Very high17 Ų1735 Ų3510%0.10317%0.174CC..SBendtrans-67.9-36.7176.7173.20000110.7L326 Y495 F510 A512 I514V188-L326 HydrophobicContact CB-CD2 4.16Å; V188-L326 HydrophobicContact CG1-CD2 4.12Å; V188-L326 HydrophobicContact CG2-CD2 4.23Å; V188-Y495 HydrophobicContact CB-CD2 4.4Å; V188-Y495 HydrophobicContact CG1-CD2 4.42Å; V188-Y495 HydrophobicContact CG1-CG 4.42Å; V188-Y495 HydrophobicContact CG2-CE2 4.39Å; V188-F510 HydrophobicContact CG1-CB 4.47Å; V188-F510 WeakPolarHBondContact O-CD1 3.4Å; V188-A512 HydrophobicContact CB-CB 4.19Å; V188-A512 HydrophobicContact CG1-CB 3.54Å; V188-A512 HydrophobicContact CG2-CB 3.56Å; V188-I514 HydrophobicContact CG2-CG2 4.46Å
189F93.1Very high93Very high3 Ų328 Ų281%0.01314%0.142CC..SBendtrans-91.2147.6-178-54.2-42.9000111.2N187 I195 K198 L326 V387 F510N187-F189 VanDerWaalsContact C-N 3.3Å; N187-F189 PolarHBondContact OD1-N 3.42Å; F189-I195 HydrophobicContact CB-CD1 4.12Å; F189-I195 HydrophobicContact CB-CG1 3.9Å; F189-I195 HydrophobicContact CD1-CD1 3.83Å; F189-I195 HydrophobicContact CD1-CG1 3.93Å; F189-I195 HydrophobicContact CD2-CG1 4.14Å; F189-I195 HydrophobicContact CG-CD1 4.04Å; F189-I195 HydrophobicContact CG-CG1 3.72Å; F189-K198 HydrophobicContact CE2-CD 4.39Å; F189-K198 HydrophobicContact CZ-CD 4.35Å; F189-K198 HydrophobicContact CZ-CG 4.17Å; F189-L326 HydrophobicContact CE1-CD2 4.2Å; F189-L326 HydrophobicContact CE1-CG 4.22Å; F189-L326 HydrophobicContact CE2-CD2 4.23Å; F189-L326 HydrophobicContact CZ-CD1 4.03Å; F189-L326 HydrophobicContact CZ-CD2 3.66Å; F189-L326 HydrophobicContact CZ-CG 3.83Å; F189-V387 HydrophobicContact CB-CG1 4.45Å; F189-V387 HydrophobicContact CD2-CG1 3.65Å; F189-V387 HydrophobicContact CE2-CG1 4.42Å; F189-V387 HydrophobicContact CG-CG1 4.48Å; F189-F510 HydrophobicContact CD1-CB 3.8Å; F189-F510 HydrophobicContact CD1-CG 4.23Å; F189-F510 HydrophobicContact CE1-CB 4.21Å
190S90.3Very high92.6Very high8 Ų824.4 Ų24.46%0.05613%0.125CC..  trans-58.8140.2176.1174.50000110.9R192 L193 E493 F510S190-R192 PolarHBondContact O-N 2.97Å; S190-R192 PolarHBondContact OG-N 3.02Å; S190-L193 PolarHBondContact OG-N 3.3Å; S190-E493 PolarHBondContact OG-OE1 3.16Å; S190-F510 VanDerWaalsContact CB-CZ 3.45Å
191P87.7Confident92.2Very high34 Ų3423 Ų2322%0.22112%0.116CC..SBendtrans-67.4-16.8169.328.8-34.6000113N128 R129 Q130 L492N128-P191 WeakPolarHBondContact O-CB 3.31Å; R129-P191 HydrophobicContact CB-CB 4Å; Q130-P191 HydrophobicContact CG-CB 4.38Å; Q130-P191 HydrophobicContact CG-CG 4.25Å; P191-L492 HydrophobicContact CG-CB 4.32Å; P191-L492 HydrophobicContact CG-CD1 4.5Å; P191-L492 HydrophobicContact CG-CD2 4.27Å
192R88.5Confident91.3Very high76 Ų7622.1 Ų22.129%0.28711%0.112SC..SBendtrans-108.2-27.3-173-65.7169.260.6-164.8-3.1113.8S190 Q482S190-R192 PolarHBondContact O-N 2.97Å; S190-R192 PolarHBondContact OG-N 3.02Å; R192-Q482 PolarHBondContact NH2-O 3Å; R192-Q482 VanDerWaalsContact NH2-O 3.14Å
193L89.5Confident89.7Confident13 Ų1322.1 Ų22.17%0.06811%0.112CC..SBendtrans-103.2122.6-174.5-54.3-176.2000111.5S190 H330 F484 L488 I508 F510S190-L193 PolarHBondContact OG-N 3.3Å; L193-H330 HydrophobicContact CB-CB 4.42Å; L193-F484 HydrophobicContact CD1-CD2 4.18Å; L193-F484 HydrophobicContact CD1-CE2 3.98Å; L193-F484 HydrophobicContact CD2-CB 4.33Å; L193-F484 HydrophobicContact CD2-CD2 3.71Å; L193-F484 HydrophobicContact CD2-CE2 4.35Å; L193-F484 HydrophobicContact CD2-CG 4.2Å; L193-L488 HydrophobicContact CD1-CD2 3.98Å; L193-I508 HydrophobicContact CD1-CD1 3.84Å; L193-I508 HydrophobicContact CD1-CG2 4.4Å; L193-F510 HydrophobicContact CB-CE2 4.43Å; L193-F510 HydrophobicContact CB-CZ 4.37Å; L193-F510 HydrophobicContact CD1-CZ 4.07Å
194A89.4Confident87.7Confident49 Ų4924.4 Ų24.441%0.40512%0.124SC..PPolyproline II helixtrans-67.9133.6179.200000111.7H196 H330A194-H196 PolarHBondContact O-CE1 3.19Å; A194-H330 WeakPolarHBondContact O-CB 3.26Å; A194-H330 PolarHBondContact O-ND1 3.14Å
195I90.6Very high85.4Confident14 Ų1426.3 Ų26.37%0.07213%0.134CC..PPolyproline II helixtrans-89.6126.8175.6-57.3-58.2000109F189 K197 L279 F510F189-I195 HydrophobicContact CB-CD1 4.12Å; F189-I195 HydrophobicContact CB-CG1 3.9Å; F189-I195 HydrophobicContact CD1-CD1 3.83Å; F189-I195 HydrophobicContact CD1-CG1 3.93Å; F189-I195 HydrophobicContact CD2-CG1 4.14Å; F189-I195 HydrophobicContact CG-CD1 4.04Å; F189-I195 HydrophobicContact CG-CG1 3.72Å; I195-K197 WeakPolarHBondContact CG2-O 3.38Å; I195-L279 HydrophobicContact CB-CD2 4.1Å; I195-L279 HydrophobicContact CG2-CD1 4.42Å; I195-L279 HydrophobicContact CG2-CD2 4.09Å; I195-L279 WeakPolarHBondContact O-CD1 3.48Å; I195-F510 HydrophobicContact CD1-CD2 3.53Å; I195-F510 HydrophobicContact CD1-CE2 3.85Å; I195-F510 HydrophobicContact CD1-CG 4.44Å
196H88.7Confident82.9Confident49 Ų4927.5 Ų27.523%0.22714%0.138CC..SBendtrans-103.5-24.6179.9-53.1112.8000112.9A194 L279 V329 H330 D331A194-H196 PolarHBondContact O-CE1 3.19Å; H196-L279 VanDerWaalsContact C-CD1 3.48Å; H196-L279 WeakPolarHBondContact O-CD1 3.45Å; H196-V329 PolarHBondContact N-O 3.48Å; H196-H330 AromaticContact CE1-ND1 3.68Å; H196-D331 PolarHBondContact CE1-N 2.88Å; H196-D331 PolarHBondContact CE1-O 2.92Å; H196-D331 WeakPolarHBondContact ND1-CB 3.36Å; H196-D331 PolarHBondContact ND1-N 3.41Å; H196-D331 PolarHBondContact ND1-O 2.74Å
197K89.9Confident80.2Confident111 Ų11128.4 Ų28.448%0.48315%0.146SC..EExtended strand (participates in β ladder)trans-137.8143.5172-55.8-177.3-178.9178.10110.7I195 Y199 G328 V329I195-K197 WeakPolarHBondContact CG2-O 3.38Å; K197-Y199 HydrophobicContact CB-CE2 3.94Å; K197-G328 CarbonylContact O-C 3.5Å; K197-G328 WeakPolarHBondContact O-CA 3.27Å; K197-V329 HydrophobicContact CB-CB 4.06Å; K197-V329 HydrophobicContact CB-CG2 4.18Å; K197-V329 PolarHBondContact N-O 3.26Å; K197-V329 PolarHBondContact O-N 3.36Å
198K90.4Very high77.5Confident0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-134131.7179.6-178.5-174167.3-161.70109.9F189 T281 L282 L326 I327 S388 A389F189-K198 HydrophobicContact CE2-CD 4.39Å; F189-K198 HydrophobicContact CZ-CD 4.35Å; F189-K198 HydrophobicContact CZ-CG 4.17Å; K198-T281 HydrophobicContact CD-CG2 4.07Å; K198-T281 WeakPolarHBondContact CE-OG1 3.47Å; K198-T281 HydrophobicContact CG-CG2 4.24Å; K198-T281 PolarHBondContact NZ-OG1 2.83Å; K198-L282 WeakPolarHBondContact O-CB 3.37Å; K198-L282 PolarHBondContact O-N 2.75Å; K198-L326 HydrophobicContact CD-CD1 4.35Å; K198-L326 HydrophobicContact CG-CD1 3.93Å; K198-I327 CarbonylContact C-O 3.54Å; K198-I327 VanDerWaalsContact CA-O 3.31Å; K198-I327 WeakPolarHBondContact CA-O 3.38Å; K198-S388 VanDerWaalsContact CE-O 3.22Å; K198-S388 WeakPolarHBondContact CE-O 3.46Å; K198-S388 VanDerWaalsContact NZ-CB 3.3Å; K198-S388 PolarHBondContact NZ-O 3.08Å; K198-S388 PolarHBondContact NZ-OG 3.19Å; K198-A389 PolarHBondContact NZ-O 3.01Å
199Y89.6Confident74.8Confident1 Ų137.2 Ų37.20%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-128136.8176.8-53.7-90.6000111.3K197 L282 F287 L326 I327 V329K197-Y199 HydrophobicContact CB-CE2 3.94Å; Y199-L282 CarbonylContact C-O 3.54Å; Y199-L282 VanDerWaalsContact CA-O 3.27Å; Y199-L282 WeakPolarHBondContact CA-O 3.35Å; Y199-L282 HydrophobicContact CD1-CB 3.43Å; Y199-L282 VanDerWaalsContact CD1-CB 3.43Å; Y199-L282 HydrophobicContact CD1-CD1 4.1Å; Y199-L282 HydrophobicContact CD1-CG 4.38Å; Y199-L282 HydrophobicContact CE1-CB 3.73Å; Y199-L282 HydrophobicContact CE1-CD1 3.5Å; Y199-L282 VanDerWaalsContact CE1-CD1 3.5Å; Y199-L282 HydrophobicContact CE1-CG 4.26Å; Y199-L282 HydrophobicContact CG-CB 4.32Å; Y199-F287 HydrophobicContact CD1-CB 3.98Å; Y199-F287 AromaticContact CD1-CD2 3.58Å; Y199-F287 HydrophobicContact CD1-CD2 3.58Å; Y199-F287 HydrophobicContact CD1-CG 4.28Å; Y199-F287 AromaticContact CD2-CD2 3.97Å; Y199-F287 HydrophobicContact CD2-CD2 3.97Å; Y199-F287 HydrophobicContact CD2-CE2 4.24Å; Y199-F287 HydrophobicContact CE1-CB 4.24Å; Y199-F287 AromaticContact CE1-CD2 3.79Å; Y199-F287 HydrophobicContact CE1-CD2 3.79Å; Y199-F287 HydrophobicContact CE1-CG 4.47Å; Y199-F287 HydrophobicContact CE2-CD2 4.15Å; Y199-F287 HydrophobicContact CE2-CE2 4.34Å; Y199-F287 AromaticContact CG-CD2 3.67Å; Y199-F287 HydrophobicContact CG-CD2 3.67Å; Y199-F287 HydrophobicContact CG-CE2 4.35Å; Y199-L326 WeakPolarHBondContact O-CA 3.27Å; Y199-I327 HydrophobicContact CD2-CB 4.43Å; Y199-I327 HydrophobicContact CD2-CG2 4.48Å; Y199-I327 PolarHBondContact N-O 3.04Å; Y199-I327 PolarHBondContact O-N 2.73Å; Y199-V329 HydrophobicContact CE2-CG2 4.17Å
200D88.9Confident72.1Confident10 Ų1043.4 Ų43.45%0.05322%0.221CC..EExtended strand (participates in β ladder)trans-113.7106.6171.9-175.2-43000108.3T281 L282 K283 S324D200-T281 HydrophobicContact CB-CG2 3.74Å; D200-L282 PolarHBondContact N-O 2.86Å; D200-K283 WeakPolarHBondContact O-CA 3.36Å; D200-S324 WeakPolarHBondContact OD1-CB 3.38Å; D200-S324 PolarHBondContact OD1-OG 2.98Å
201L86.5Confident69.5Low1 Ų145.8 Ų45.81%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-108.6119.1-170.9-53.5176.8000110.1D284 F287 S324 L325 I327 F554L201-D284 WeakPolarHBondContact CA-OD1 3.45Å; L201-F287 HydrophobicContact CD1-CD2 4.41Å; L201-F287 HydrophobicContact CD2-CB 3.95Å; L201-F287 HydrophobicContact CD2-CD2 4.32Å; L201-F287 HydrophobicContact CD2-CG 4.15Å; L201-S324 CarbonylContact O-C 3.55Å; L201-S324 VanDerWaalsContact O-CA 3.25Å; L201-S324 WeakPolarHBondContact O-CA 3.38Å; L201-S324 WeakPolarHBondContact O-CB 3.31Å; L201-L325 HydrophobicContact CB-CB 4.36Å; L201-L325 PolarHBondContact N-O 3.17Å; L201-L325 PolarHBondContact O-N 2.88Å; L201-I327 HydrophobicContact CD1-CD1 3.41Å; L201-I327 VanDerWaalsContact CD1-CD1 3.41Å; L201-I327 HydrophobicContact CD1-CG1 4.06Å; L201-F554 HydrophobicContact CB-CE1 4.12Å; L201-F554 HydrophobicContact CD1-CE1 3.99Å; L201-F554 HydrophobicContact CD2-CE1 4.16Å; L201-F554 HydrophobicContact CG-CE1 4.3Å
202K78.1Confident66.8Low21 Ų2153.8 Ų53.89%0.09127%0.267CS..  trans-116.55.5174.7-68.8-166.9175.7-159.30112.2I204 D284 D322 S324 G392 L393K202-I204 PolarHBondContact O-N 3.11Å; K202-D284 PolarHBondContact N-OD1 3.15Å; K202-D322 VanDerWaalsContact CE-O 3.3Å; K202-D322 WeakPolarHBondContact CE-O 3.18Å; K202-D322 PolarHBondContact NZ-O 3.08Å; K202-S324 WeakPolarHBondContact CE-OG 3.34Å; K202-S324 WeakPolarHBondContact CG-OG 3.44Å; K202-G392 VanDerWaalsContact NZ-C 3.35Å; K202-L393 PolarHBondContact NZ-O 3.27Å
203N64Low64Low1 Ų161.3 Ų61.31%0.00530%0.295CS..  trans-57.3118.4-135.1-149.8-15.7000116.7L205 D284 F554N203-L205 WeakPolarHBondContact OD1-CA 3.49Å; N203-L205 WeakPolarHBondContact OD1-CB 3.43Å; N203-L205 WeakPolarHBondContact OD1-CD1 3.38Å; N203-L205 WeakPolarHBondContact OD1-CG 3.42Å; N203-L205 PolarHBondContact OD1-N 3.21Å; N203-D284 WeakPolarHBondContact CA-OD1 3.3Å; N203-D284 HydrophobicContact CB-CB 4.05Å; N203-D284 VanDerWaalsContact CB-CG 3.45Å; N203-D284 WeakPolarHBondContact CB-OD1 3.41Å; N203-D284 VanDerWaalsContact CG-CB 3.46Å; N203-D284 PolarHBondContact N-OD1 3.01Å; N203-D284 VanDerWaalsContact ND2-CB 3.33Å; N203-D284 WeakPolarHBondContact ND2-CB 3.5Å; N203-F554 HydrophobicContact CB-CD1 3.85Å; N203-F554 HydrophobicContact CB-CD2 4.03Å; N203-F554 HydrophobicContact CB-CE1 3.83Å; N203-F554 HydrophobicContact CB-CE2 4.03Å; N203-F554 HydrophobicContact CB-CG 3.95Å; N203-F554 HydrophobicContact CB-CZ 3.93Å; N203-F554 WeakPolarHBondContact ND2-CE2 3.3Å
204I55.5Low61.2Low50 Ų5064.6 Ų64.626%0.25632%0.319SS..  trans-91-0.2172.5-71.9159.8000111.5K202 Y206 Y547K202-I204 PolarHBondContact O-N 3.11Å; I204-Y206 PolarHBondContact O-N 3.4Å; I204-Y206 VanDerWaalsContact O-N 3.12Å; I204-Y547 HydrophobicContact CD1-CE2 4.16Å; I204-Y547 HydrophobicContact CG1-CE2 4.48Å
205L48.9Very low58.4Low40 Ų4068.5 Ų68.521%0.20934%0.337CS..  trans-59.5-23.8179.5-96.3100.9000113.8N203 S207 F257 R268 D284N203-L205 WeakPolarHBondContact OD1-CA 3.49Å; N203-L205 WeakPolarHBondContact OD1-CB 3.43Å; N203-L205 WeakPolarHBondContact OD1-CD1 3.38Å; N203-L205 WeakPolarHBondContact OD1-CG 3.42Å; N203-L205 PolarHBondContact OD1-N 3.21Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.2Å; L205-S207 VanDerWaalsContact O-N 3.1Å; L205-F257 HydrophobicContact CB-CE2 4.15Å; L205-F257 HydrophobicContact CB-CZ 4.42Å; L205-F257 HydrophobicContact CD1-CE1 3.86Å; L205-F257 HydrophobicContact CD1-CE2 4.01Å; L205-F257 HydrophobicContact CD1-CZ 3.4Å; L205-F257 HydrophobicContact CD2-CD1 3.89Å; L205-F257 HydrophobicContact CD2-CD2 3.35Å; L205-F257 HydrophobicContact CD2-CE1 3.58Å; L205-F257 HydrophobicContact CD2-CE2 3.07Å; L205-F257 HydrophobicContact CD2-CG 3.8Å; L205-F257 HydrophobicContact CD2-CZ 3.22Å; L205-F257 HydrophobicContact CG-CD2 3.97Å; L205-F257 HydrophobicContact CG-CE1 3.87Å; L205-F257 HydrophobicContact CG-CE2 3.14Å; L205-F257 HydrophobicContact CG-CZ 3.09Å; L205-R268 HydrophobicContact CD1-CB 4.39Å; L205-R268 HydrophobicContact CD1-CG 4.4Å; L205-D284 HydrophobicContact CD1-CB 4.45Å
206Y45.5Very low55.4Low52 Ų5273 Ų7320%0.20437%0.371CS..  trans-82.680170.2-96-102.7000110.2I204 V211 R550 F554 Q557I204-Y206 PolarHBondContact O-N 3.4Å; I204-Y206 VanDerWaalsContact O-N 3.12Å; Y206-V211 HydrophobicContact CD1-CG2 3.98Å; Y206-V211 HydrophobicContact CE1-CB 4.02Å; Y206-V211 HydrophobicContact CE1-CG1 4.33Å; Y206-V211 HydrophobicContact CE1-CG2 3.09Å; Y206-V211 WeakPolarHBondContact OH-CG2 3.25Å; Y206-R550 WeakPolarHBondContact O-CD 3.39Å; Y206-R550 PolarHBondContact O-NE 2.98Å; Y206-F554 HydrophobicContact CD2-CD2 4.42Å; Y206-Q557 VanDerWaalsContact CE2-OE1 3.26Å; Y206-Q557 PolarHBondContact OH-NE2 3.41Å; Y206-Q557 PolarHBondContact OH-OE1 3.42Å
207S41Very low52.6Low32 Ų3277.3 Ų77.322%0.22439%0.394CS..  trans-79.2114.9149.3-162.80000106.4L205 H209 H210L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.2Å; L205-S207 VanDerWaalsContact O-N 3.1Å; S207-H209 PolarHBondContact O-N 3.37Å; S207-H210 PolarHBondContact O-N 3.01Å
208S37.6Very low49.7Very low67 Ų6781.3 Ų81.347%0.46941%0.414SS..THydrogen-bonded Turntrans-55.23.8-170-46.80000116.3
209H37.7Very low46.7Very low150 Ų15085.6 Ų85.669%0.69444%0.444SS*.THydrogen-bonded Turntrans-82.3-15.3177.9-81.2-75.1000115.4S207S207-H209 PolarHBondContact O-N 3.37Å
210H36.3Very low43.8Very low132 Ų13295.1 Ų95.161%0.61149%0.485SS*.SBendtrans-99.8-11.5-174.1-98-69.4000116.7S207S207-H210 PolarHBondContact O-N 3.01Å
211V35.3Very low40.9Very low59 Ų59101.7 Ų101.736%0.35853%0.526SS..G310 helixtrans-95.7-15-173.4176.30000114.5Y206 R213Y206-V211 HydrophobicContact CD1-CG2 3.98Å; Y206-V211 HydrophobicContact CE1-CB 4.02Å; Y206-V211 HydrophobicContact CE1-CG1 4.33Å; Y206-V211 HydrophobicContact CE1-CG2 3.09Å; Y206-V211 WeakPolarHBondContact OH-CG2 3.25Å; V211-R213 PolarHBondContact O-N 3.45Å
212K31.6Very low38.2Very low201 Ų201105.3 Ų105.387%0.87456%0.556SS**G310 helixtrans-77.35172.7-71.4-172177.6-179.60115
213R29.2Very low35.9Very low235 Ų235113.6 Ų113.689%0.88760%0.595SS**G310 helixtrans-114.41.1178.6-87.2-174.9168.8133-2.8115.7V211V211-R213 PolarHBondContact O-N 3.45Å
214S31Very low34.4Very low81 Ų81116.9 Ų116.957%0.56663%0.629SS**SBendtrans-119.49.8-177.661.10000115.9
215V31Very low33.1Very low131 Ų131120.3 Ų120.379%0.79466%0.657SS**  trans-121.664.4171.5-167.40000109.2
216S27Very low32.4Very low110 Ų110125 Ų12577%0.76969%0.687SS**  trans-14264.9160.7-170.80000107
217I30.1Very low31.6Very low138 Ų138131.5 Ų131.571%0.70872%0.719SS**  trans-135.263.2159.8-53.3179.9000105.5
218H28.3Very low31.2Very low196 Ų196137.9 Ų137.991%0.90775%0.75SS**  trans-118.263.6164.1-125.9-83.7000106.5
219S28.4Very low30.9Very low90 Ų90139.7 Ų139.763%0.62976%0.763SS**  trans-161.648.3175.370.90000111.9
220F27.6Very low30.4Very low200 Ų200138.1 Ų138.188%0.87777%0.769SS**  trans-144.452.8162.2-94.7-78.5000109.8
221V28.7Very low30.2Very low149 Ų149137 Ų13790%0.90378%0.776SS**  trans-134.879.7158-179.70000105.5
222A29.6Very low30.1Very low77 Ų77144.6 Ų144.664%0.63680%0.804SS**SBendtrans-169.7115.3169.600000109.6
223H29.8Very low30.2Very low195 Ų195142.1 Ų142.190%0.90380%0.799SS**  trans89.4111.6154.9-53.216.3000115.8
224G31.6Very low30.5Very low70 Ų70135.6 Ų135.672%0.72278%0.782SS**  trans159.858169.700000114T226G224-T226 PolarHBondContact O-N 3.45Å
225S29.3Very low30.9Very low122 Ų122137.6 Ų137.685%0.85379%0.785SS**  trans-54.8113.7168.2-40.20000110.3
226T34.1Very low31Very low137 Ų137137 Ų13784%0.8478%0.777SS**  trans-161.2122.8151.97.50000110.3G224G224-T226 PolarHBondContact O-N 3.45Å
227Q29.1Very low31.5Very low189 Ų189136.9 Ų136.988%0.88377%0.768SS**  trans-62137.1175.7-62.1-162.425.400111.4
228L32.6Very low31.7Very low167 Ų167132.6 Ų132.687%0.87475%0.753SS**  trans-155.996.2153.2-100.7127.3000110.8
229S29.9Very low32.1Very low105 Ų105126.8 Ų126.873%0.73473%0.731SS**  trans23.1116.1131.8-171.50000119S231S229-S231 PolarHBondContact O-N 3.04Å
230S27.1Very low32.5Very low116 Ų116125.3 Ų125.381%0.81172%0.718SS**  trans8.1102.8146.5-62.50000118.3
231S32.7Very low33.3Very low110 Ų110120.1 Ų120.177%0.76970%0.703SS**  trans-152.5129147.5-76.80000109.2S229 I233S229-S231 PolarHBondContact O-N 3.04Å; S231-I233 PolarHBondContact O-N 3.01Å
232K33.5Very low34Very low218 Ų218118.8 Ų118.895%0.94869%0.69SS**  trans-47.3105.6-174.1-64.4169178.7174.70112N234K232-N234 PolarHBondContact O-N 3.47Å
233I34.2Very low34.4Very low148 Ų148120.1 Ų120.176%0.75968%0.683SS**  trans-81.2117.7169-61.9175000107.6S231 I235S231-I233 PolarHBondContact O-N 3.01Å; I233-I235 PolarHBondContact O-N 3.31Å
234N34.3Very low35.2Very low98 Ų98117.7 Ų117.752%0.52467%0.67SS.*  trans-68.497.9176.1-172.4-14.9000109.6K232 N236 N237K232-N234 PolarHBondContact O-N 3.47Å; N234-N236 PolarHBondContact O-N 3.41Å; N234-N236 VanDerWaalsContact O-N 3.14Å; N234-N236 PolarHBondContact OD1-N 3.31Å; N234-N237 PolarHBondContact O-N 3.47Å
235I40.2Very low36Very low124 Ų124118.7 Ų118.764%0.63666%0.656SS**Hα-helixtrans-54.5-32.9-175.6-62.7169.6000111.6I233 N237 A238 V239I233-I235 PolarHBondContact O-N 3.31Å; I235-N237 VanDerWaalsContact C-N 3.33Å; I235-N237 PolarHBondContact O-N 3.01Å; I235-A238 PolarHBondContact O-N 3.49Å; I235-V239 HydrophobicContact CG2-CG2 4.39Å; I235-V239 WeakPolarHBondContact O-CG2 3.27Å; I235-V239 PolarHBondContact O-N 3.5Å
236N33.7Very low37Very low119 Ų119117.2 Ų117.264%0.63664%0.635SS**Hα-helixtrans-64.1-36.6-176.9-64.2-21.9000112.4N234 T240N234-N236 PolarHBondContact O-N 3.41Å; N234-N236 VanDerWaalsContact O-N 3.14Å; N234-N236 PolarHBondContact OD1-N 3.31Å; N236-T240 PolarHBondContact O-N 3.42Å; N236-T240 PolarHBondContact O-OG1 3.37Å
237N36.4Very low37.7Very low107 Ų107117.2 Ų117.257%0.57262%0.624SS**Hα-helixtrans-72.1-34177.4-881.9000112.5N234 I235 T240 V241N234-N237 PolarHBondContact O-N 3.47Å; I235-N237 VanDerWaalsContact C-N 3.33Å; I235-N237 PolarHBondContact O-N 3.01Å; N237-T240 PolarHBondContact O-N 2.91Å; N237-V241 VanDerWaalsContact O-CG2 3.26Å; N237-V241 WeakPolarHBondContact O-CG2 3.27Å; N237-V241 PolarHBondContact O-N 3.3Å; N237-V241 VanDerWaalsContact O-N 3.1Å
238A34.7Very low38.6Very low47 Ų47117.2 Ų117.239%0.38862%0.615SS.*Hα-helixtrans-67.2-40.9178.600000111.4I235 V241 L242I235-A238 PolarHBondContact O-N 3.49Å; A238-V241 PolarHBondContact O-N 2.95Å; A238-L242 WeakPolarHBondContact O-CG 3.27Å; A238-L242 PolarHBondContact O-N 3.17Å
239V36Very low39.5Very low74 Ų74116 Ų11645%0.44860%0.599SS.*Hα-helixtrans-62.4-44175.1177.50000111I235 V241 L242 E243I235-V239 HydrophobicContact CG2-CG2 4.39Å; I235-V239 WeakPolarHBondContact O-CG2 3.27Å; I235-V239 PolarHBondContact O-N 3.5Å; V239-V241 VanDerWaalsContact C-N 3.32Å; V239-V241 PolarHBondContact O-N 3.35Å; V239-L242 PolarHBondContact O-N 3.49Å; V239-E243 WeakPolarHBondContact O-CG 3.49Å; V239-E243 PolarHBondContact O-N 3.05Å
240T37.2Very low40.3Very low60 Ų60113.4 Ų113.437%0.36858%0.577SS.*Hα-helixtrans-66.4-33.3179.4-16.40000113N236 N237 K244N236-T240 PolarHBondContact O-N 3.42Å; N236-T240 PolarHBondContact O-OG1 3.37Å; N237-T240 PolarHBondContact O-N 2.91Å; T240-K244 WeakPolarHBondContact O-CB 3.3Å; T240-K244 WeakPolarHBondContact O-CG 3.46Å; T240-K244 PolarHBondContact O-N 2.69Å
241V44Very low41.1Very low90 Ų90116.7 Ų116.755%0.54557%0.571SS.*Hα-helixtrans-70.2-43.6177.4171.70000110.6N237 A238 V239 K244 E245N237-V241 VanDerWaalsContact O-CG2 3.26Å; N237-V241 WeakPolarHBondContact O-CG2 3.27Å; N237-V241 PolarHBondContact O-N 3.3Å; N237-V241 VanDerWaalsContact O-N 3.1Å; A238-V241 PolarHBondContact O-N 2.95Å; V239-V241 VanDerWaalsContact C-N 3.32Å; V239-V241 PolarHBondContact O-N 3.35Å; V241-K244 PolarHBondContact O-N 2.98Å; V241-E245 PolarHBondContact O-N 2.86Å
242L43.5Very low42Very low121 Ų121117.3 Ų117.363%0.63457%0.565SS**Hα-helixtrans-62.4-42.6175.7-71.7172.9000111.7A238 V239 E245 H246A238-L242 WeakPolarHBondContact O-CG 3.27Å; A238-L242 PolarHBondContact O-N 3.17Å; V239-L242 PolarHBondContact O-N 3.49Å; L242-E245 PolarHBondContact O-N 2.97Å; L242-H246 VanDerWaalsContact O-CB 3.28Å; L242-H246 WeakPolarHBondContact O-CB 3.39Å; L242-H246 PolarHBondContact O-N 2.83Å
243E39.7Very low42.4Very low106 Ų106113.5 Ų113.550%0.49555%0.548SS..Hα-helixtrans-62.1-43.7174.6-77.3-172.8160.700112.8V239 H246 K247V239-E243 WeakPolarHBondContact O-CG 3.49Å; V239-E243 PolarHBondContact O-N 3.05Å; E243-H246 PolarHBondContact O-N 3.08Å; E243-K247 WeakPolarHBondContact O-CB 3.41Å; E243-K247 WeakPolarHBondContact O-CG 3.44Å; E243-K247 PolarHBondContact O-N 3.24Å
244K46.3Very low42.8Very low144 Ų144111.3 Ų111.363%0.62653%0.533SS*.Hα-helixtrans-64.2-41.3178.4-81.4177.9-179.6174.20111.8T240 V241 R248T240-K244 WeakPolarHBondContact O-CB 3.3Å; T240-K244 WeakPolarHBondContact O-CG 3.46Å; T240-K244 PolarHBondContact O-N 2.69Å; V241-K244 PolarHBondContact O-N 2.98Å; K244-R248 PolarHBondContact O-N 2.82Å
245E48.6Very low43.1Very low90 Ų90113.4 Ų113.442%0.42154%0.539SS..Hα-helixtrans-69.5-39.4178.2-160.7177.3150.700111.5V241 L242 R248 R249V241-E245 PolarHBondContact O-N 2.86Å; L242-E245 PolarHBondContact O-N 2.97Å; E245-R248 WeakPolarHBondContact O-CB 3.41Å; E245-R248 PolarHBondContact O-N 3.36Å; E245-R249 WeakPolarHBondContact O-CG 3.48Å; E245-R249 PolarHBondContact O-N 2.94Å; E245-R249 IonicContact OE1-CZ 2.65Å; E245-R249 IonicContact OE1-NE 3.44Å; E245-R249 IonicContact OE1-NH2 3.69Å; E245-R249 PolarHBondContact OE1-NH2 3.19Å
246H49.2Very low43Very low91 Ų91110.4 Ų110.442%0.42153%0.529SS..Hα-helixtrans-62.2-45.3174.8-160.985.9000111.9L242 E243 R248 R249 L250 L291L242-H246 VanDerWaalsContact O-CB 3.28Å; L242-H246 WeakPolarHBondContact O-CB 3.39Å; L242-H246 PolarHBondContact O-N 2.83Å; E243-H246 PolarHBondContact O-N 3.08Å; H246-R248 VanDerWaalsContact C-N 3.31Å; H246-R248 PolarHBondContact O-N 2.79Å; H246-R249 PolarHBondContact O-N 2.87Å; H246-R249 VanDerWaalsContact O-N 3.15Å; H246-L250 VanDerWaalsContact CD2-CD1 3.41Å; H246-L250 WeakPolarHBondContact CD2-CD1 3.2Å; H246-L250 PolarHBondContact O-N 2.76Å; H246-L291 WeakPolarHBondContact NE2-CD2 3.35Å
247K49Very low43.1Very low138 Ų138106.3 Ų106.360%0.651%0.506SS*.Hα-helixtrans-60.1-36.4173.4-78.2178178.7171.40112.7E243 L250 R251E243-K247 WeakPolarHBondContact O-CB 3.41Å; E243-K247 WeakPolarHBondContact O-CG 3.44Å; E243-K247 PolarHBondContact O-N 3.24Å; K247-L250 PolarHBondContact O-N 3.38Å; K247-R251 PolarHBondContact O-N 2.87Å; K247-R251 VanDerWaalsContact O-N 3.08Å
248R48.6Very low43Very low188 Ų188107.1 Ų107.171%0.70951%0.507SS*.Hα-helixtrans-64.7-45.4172.8-82.4-176.4173.1-178.1-1.6111.8K244 E245 H246 L250 R251 I252K244-R248 PolarHBondContact O-N 2.82Å; E245-R248 WeakPolarHBondContact O-CB 3.41Å; E245-R248 PolarHBondContact O-N 3.36Å; H246-R248 VanDerWaalsContact C-N 3.31Å; H246-R248 PolarHBondContact O-N 2.79Å; R248-L250 VanDerWaalsContact C-N 3.29Å; R248-L250 PolarHBondContact O-N 3.05Å; R248-R251 PolarHBondContact O-N 3.41Å; R248-I252 WeakPolarHBondContact O-CG1 3.49Å; R248-I252 PolarHBondContact O-N 3.25Å; R248-I252 VanDerWaalsContact O-N 3.11Å
249R51.4Low43.1Very low143 Ų143109.5 Ų109.554%0.5452%0.52SS..Hα-helixtrans-62-36.7177.9-68.3177.2-174.6-153.94111.8E245 H246 I252 K253E245-R249 WeakPolarHBondContact O-CG 3.48Å; E245-R249 PolarHBondContact O-N 2.94Å; E245-R249 IonicContact OE1-CZ 2.65Å; E245-R249 IonicContact OE1-NE 3.44Å; E245-R249 IonicContact OE1-NH2 3.69Å; E245-R249 PolarHBondContact OE1-NH2 3.19Å; H246-R249 PolarHBondContact O-N 2.87Å; H246-R249 VanDerWaalsContact O-N 3.15Å; R249-I252 PolarHBondContact O-N 2.99Å; R249-K253 PolarHBondContact O-N 3.18Å; R249-K253 VanDerWaalsContact O-N 3.07Å
250L47Very low43.1Very low50 Ų50110.2 Ų110.226%0.26253%0.525SS..Hα-helixtrans-66.2-40.2173-84.1149.1000113.2H246 K247 R248 I252 K253 K254 L291H246-L250 VanDerWaalsContact CD2-CD1 3.41Å; H246-L250 WeakPolarHBondContact CD2-CD1 3.2Å; H246-L250 PolarHBondContact O-N 2.76Å; K247-L250 PolarHBondContact O-N 3.38Å; R248-L250 VanDerWaalsContact C-N 3.29Å; R248-L250 PolarHBondContact O-N 3.05Å; L250-I252 VanDerWaalsContact C-N 3.31Å; L250-I252 PolarHBondContact O-N 2.94Å; L250-K253 PolarHBondContact O-N 3.34Å; L250-K254 PolarHBondContact O-N 3Å; L250-L291 HydrophobicContact CD1-CD2 4.15Å
251R43Very low43Very low185 Ų185109.4 Ų109.470%0.69852%0.52SS*.Hα-helixtrans-61.5-39.6173.5-80.4-174.3-175168.21.7112.4K247 R248 K253 K254 H255K247-R251 PolarHBondContact O-N 2.87Å; K247-R251 VanDerWaalsContact O-N 3.08Å; R248-R251 PolarHBondContact O-N 3.41Å; R251-K253 VanDerWaalsContact C-N 3.35Å; R251-K254 PolarHBondContact O-N 2.76Å; R251-H255 PolarHBondContact O-N 3.19Å
252I50.8Low42.6Very low122 Ų122107.8 Ų107.863%0.62652%0.521SS*.Hα-helixtrans-62.6-44.9175.8-64.4167.6000109.9R248 R249 L250 K254 H255 S256R248-I252 WeakPolarHBondContact O-CG1 3.49Å; R248-I252 PolarHBondContact O-N 3.25Å; R248-I252 VanDerWaalsContact O-N 3.11Å; R249-I252 PolarHBondContact O-N 2.99Å; L250-I252 VanDerWaalsContact C-N 3.31Å; L250-I252 PolarHBondContact O-N 2.94Å; I252-K254 PolarHBondContact O-N 3.5Å; I252-H255 PolarHBondContact O-N 3.48Å; I252-S256 PolarHBondContact O-N 3.29Å; I252-S256 VanDerWaalsContact O-N 3.08Å
253K43.6Very low42.4Very low139 Ų139103.6 Ų103.660%0.60451%0.508SS*.Hα-helixtrans-61.2-40.9173.5-72.6-179.4177.5-177.90112.4R249 L250 R251 S256 F257R249-K253 PolarHBondContact O-N 3.18Å; R249-K253 VanDerWaalsContact O-N 3.07Å; L250-K253 PolarHBondContact O-N 3.34Å; R251-K253 VanDerWaalsContact C-N 3.35Å; K253-S256 PolarHBondContact O-N 3.46Å; K253-S256 PolarHBondContact O-OG 2.59Å; K253-F257 WeakPolarHBondContact O-CB 3.5Å; K253-F257 PolarHBondContact O-N 2.55Å
254K42.3Very low42.3Very low101 Ų101102 Ų10244%0.43951%0.508SS..Hα-helixtrans-65.6-38.3178.3-167.4167.8-175.5162.50112L250 R251 I252 F257 Q258 E269L250-K254 PolarHBondContact O-N 3Å; R251-K254 PolarHBondContact O-N 2.76Å; I252-K254 PolarHBondContact O-N 3.5Å; K254-F257 WeakPolarHBondContact O-CB 3.32Å; K254-F257 PolarHBondContact O-N 3.21Å; K254-Q258 PolarHBondContact O-N 2.99Å; K254-E269 IonicContact NZ-OE2 3.56Å; K254-E269 PolarHBondContact NZ-OE2 3.45Å; K254-E269 VanDerWaalsContact NZ-OE2 3.08Å
255H39.9Very low42.2Very low142 Ų14296 Ų9666%0.65749%0.485SS*.Hα-helixtrans-71-37.6176.4-92-69.4000113.3R251 I252 F257R251-H255 PolarHBondContact O-N 3.19Å; I252-H255 PolarHBondContact O-N 3.48Å; H255-F257 VanDerWaalsContact C-N 3.26Å; H255-F257 PolarHBondContact O-N 3.24Å
256S37.7Very low42.2Very low61 Ų6196.8 Ų96.843%0.42750%0.496SS..Hα-helixtrans-67.6-32.6173.267.40000111.7I252 K253 Q258 S259 T260I252-S256 PolarHBondContact O-N 3.29Å; I252-S256 VanDerWaalsContact O-N 3.08Å; K253-S256 PolarHBondContact O-N 3.46Å; K253-S256 PolarHBondContact O-OG 2.59Å; S256-Q258 PolarHBondContact O-N 3.46Å; S256-S259 PolarHBondContact O-N 2.81Å; S256-S259 PolarHBondContact O-OG 3.29Å; S256-S259 VanDerWaalsContact O-OG 3.13Å; S256-T260 PolarHBondContact O-OG1 3.15Å
257F36.1Very low42.4Very low33 Ų3396.5 Ų96.515%0.14550%0.498CS..Hα-helixtrans-67.3-29.8-176-174.8-109.6000114.4L205 K253 K254 H255 S259 T261 A265L205-F257 HydrophobicContact CB-CE2 4.15Å; L205-F257 HydrophobicContact CB-CZ 4.42Å; L205-F257 HydrophobicContact CD1-CE1 3.86Å; L205-F257 HydrophobicContact CD1-CE2 4.01Å; L205-F257 HydrophobicContact CD1-CZ 3.4Å; L205-F257 HydrophobicContact CD2-CD1 3.89Å; L205-F257 HydrophobicContact CD2-CD2 3.35Å; L205-F257 HydrophobicContact CD2-CE1 3.58Å; L205-F257 HydrophobicContact CD2-CE2 3.07Å; L205-F257 HydrophobicContact CD2-CG 3.8Å; L205-F257 HydrophobicContact CD2-CZ 3.22Å; L205-F257 HydrophobicContact CG-CD2 3.97Å; L205-F257 HydrophobicContact CG-CE1 3.87Å; L205-F257 HydrophobicContact CG-CE2 3.14Å; L205-F257 HydrophobicContact CG-CZ 3.09Å; K253-F257 WeakPolarHBondContact O-CB 3.5Å; K253-F257 PolarHBondContact O-N 2.55Å; K254-F257 WeakPolarHBondContact O-CB 3.32Å; K254-F257 PolarHBondContact O-N 3.21Å; H255-F257 VanDerWaalsContact C-N 3.26Å; H255-F257 PolarHBondContact O-N 3.24Å; F257-S259 VanDerWaalsContact C-N 3.27Å; F257-S259 PolarHBondContact O-N 2.84Å; F257-T261 HydrophobicContact CE2-CG2 4.05Å; F257-T261 WeakPolarHBondContact CZ-OG1 3.32Å; F257-A265 HydrophobicContact CD1-CB 4.09Å; F257-A265 HydrophobicContact CE1-CB 3.87Å
258Q35.2Very low43.1Very low125 Ų12592.5 Ų92.558%0.58448%0.479SS*.THydrogen-bonded Turntrans-69.4-18.1177.2-91.7176.4-12.300114.6K254 S256 A265K254-Q258 PolarHBondContact O-N 2.99Å; S256-Q258 PolarHBondContact O-N 3.46Å; Q258-A265 HydrophobicContact CG-CB 4.14Å
259S35.3Very low43.9Very low97 Ų9786.2 Ų86.268%0.67846%0.458SS*.THydrogen-bonded Turntrans-97.9-14.1-169.974.60000115.6S256 F257S256-S259 PolarHBondContact O-N 2.81Å; S256-S259 PolarHBondContact O-OG 3.29Å; S256-S259 VanDerWaalsContact O-OG 3.13Å; F257-S259 VanDerWaalsContact C-N 3.27Å; F257-S259 PolarHBondContact O-N 2.84Å
260T35.8Very low44.5Very low88 Ų8879.8 Ų79.854%0.5444%0.435SS..THydrogen-bonded Turntrans-127.92.8-163.842.10000115.9S256S256-T260 PolarHBondContact O-OG1 3.15Å
261T35.3Very low46Very low44 Ų4481.8 Ų81.827%0.2745%0.446SS..  trans-123.5118.4174.3540000110.3F257 G263F257-T261 HydrophobicContact CE2-CG2 4.05Å; F257-T261 WeakPolarHBondContact CZ-OG1 3.32Å; T261-G263 CarbonylContact O-C 3.58Å; T261-G263 PolarHBondContact O-N 3.49Å
262G36.6Very low47.7Very low55 Ų5580.7 Ų80.757%0.56745%0.448SS*.SBendtrans-67.322.9179.100000115.1
263G39.2Very low49Very low34 Ų3482.7 Ų82.735%0.35145%0.453SS..SBendtrans-120.9112.7160.500000106.7T261 A265T261-G263 CarbonylContact O-C 3.58Å; T261-G263 PolarHBondContact O-N 3.49Å; G263-A265 PolarHBondContact O-N 3.43Å
264S38.3Very low50.7Low72 Ų7277.6 Ų77.650%0.50343%0.431SS..  trans-46.1128.8179.3-172.60000109.5V266 D267S264-V266 PolarHBondContact O-N 3.31Å; S264-V266 VanDerWaalsContact OG-CG2 3.26Å; S264-V266 WeakPolarHBondContact OG-CG2 3.48Å; S264-D267 PolarHBondContact O-N 3.36Å
265A44.3Very low52.5Low18 Ų1876.8 Ų76.815%0.14943%0.427CS..G310 helixtrans-48.3-23.7176.300000112.6F257 Q258 G263 D267 R268 E269F257-A265 HydrophobicContact CD1-CB 4.09Å; F257-A265 HydrophobicContact CE1-CB 3.87Å; Q258-A265 HydrophobicContact CG-CB 4.14Å; G263-A265 PolarHBondContact O-N 3.43Å; A265-D267 VanDerWaalsContact C-N 3.28Å; A265-D267 PolarHBondContact O-N 3.22Å; A265-R268 PolarHBondContact O-N 3.4Å; A265-R268 VanDerWaalsContact O-N 3.09Å; A265-E269 PolarHBondContact O-N 3.05Å
266V47.7Very low54.4Low106 Ų10674.6 Ų74.664%0.64243%0.428SS*.G310 helixtrans-55.2-33.1173.5-176.60000113.6S264 R268S264-V266 PolarHBondContact O-N 3.31Å; S264-V266 VanDerWaalsContact OG-CG2 3.26Å; S264-V266 WeakPolarHBondContact OG-CG2 3.48Å; V266-R268 VanDerWaalsContact C-N 3.32Å
267D54.3Low56.5Low86 Ų8674.2 Ų74.246%0.4642%0.419SS..G310 helixtrans-82.5-10.9178.9-75.3-36.4000113.4S264 A265 K283S264-D267 PolarHBondContact O-N 3.36Å; A265-D267 VanDerWaalsContact C-N 3.28Å; A265-D267 PolarHBondContact O-N 3.22Å; D267-K283 PolarHBondContact O-NZ 2.65Å
268R61.9Low58.6Low53 Ų5377.9 Ų77.920%0.245%0.446CS..G310 helixtrans-104.5-1.2-175.5-59.8-60.9-179.1147.3-4.3114.2L205 A265 V266 K283 D284 A285L205-R268 HydrophobicContact CD1-CB 4.39Å; L205-R268 HydrophobicContact CD1-CG 4.4Å; A265-R268 PolarHBondContact O-N 3.4Å; A265-R268 VanDerWaalsContact O-N 3.09Å; V266-R268 VanDerWaalsContact C-N 3.32Å; R268-K283 VanDerWaalsContact O-CB 3.23Å; R268-K283 WeakPolarHBondContact O-CB 3.35Å; R268-D284 HydrophobicContact CB-CB 4.48Å; R268-D284 WeakPolarHBondContact CD-OD2 3.36Å; R268-D284 IonicContact CZ-OD2 3.98Å; R268-D284 IonicContact NH1-OD2 3.11Å; R268-D284 PolarHBondContact NH1-OD2 3.08Å; R268-A285 HydrophobicContact CB-CB 4.41Å; R268-A285 WeakPolarHBondContact O-CB 3.39Å; R268-A285 PolarHBondContact O-N 2.89Å
269E65.6Low60.9Low57 Ų5772.8 Ų72.827%0.26642%0.423SS..SBendtrans-105.2151.4166.3-151173.7137.500108K254 A265 K275 K283 D286K254-E269 IonicContact NZ-OE2 3.56Å; K254-E269 PolarHBondContact NZ-OE2 3.45Å; K254-E269 VanDerWaalsContact NZ-OE2 3.08Å; A265-E269 PolarHBondContact O-N 3.05Å; E269-K275 IonicContact OE1-NZ 3.23Å; E269-K275 PolarHBondContact OE1-NZ 2.8Å; E269-K283 PolarHBondContact O-NZ 2.69Å; E269-D286 WeakPolarHBondContact CA-OD2 3.17Å; E269-D286 WeakPolarHBondContact CG-OD1 3.42Å
270A65.1Low63.3Low7 Ų769.5 Ų69.56%0.05840%0.399CS..  trans-62.1136.4168.300000109.5E274 K275 L282 D286A270-E274 HydrophobicContact CB-CB 4.25Å; A270-E274 HydrophobicContact CB-CG 4.22Å; A270-K275 HydrophobicContact CB-CD 4.43Å; A270-K275 HydrophobicContact CB-CG 3.79Å; A270-K275 WeakPolarHBondContact O-CE 3.33Å; A270-L282 HydrophobicContact CB-CD2 4.17Å; A270-D286 PolarHBondContact N-OD2 3.18Å
271N77.6Confident65.6Low92 Ų9265.9 Ų65.949%0.49238%0.377SS..  trans-70.5156.9177.2-168.811.5000109.8K273 E274 K275N271-K273 PolarHBondContact O-N 2.92Å; N271-K273 VanDerWaalsContact O-N 3.14Å; N271-E274 WeakPolarHBondContact O-CA 3.14Å; N271-E274 WeakPolarHBondContact O-CB 3.37Å; N271-E274 PolarHBondContact O-N 3.18Å; N271-K275 PolarHBondContact O-N 2.81Å
272E78.9Confident68Low162 Ų16264.9 Ų64.976%0.75737%0.37SS*.Hα-helixtrans-54.2-38.1-179.2-66.4-179.6170.300112.6E274 K275 S276E272-E274 VanDerWaalsContact C-N 3.28Å; E272-E274 PolarHBondContact O-N 3.23Å; E272-K275 PolarHBondContact O-N 3.11Å; E272-S276 PolarHBondContact O-N 3.11Å; E272-S276 PolarHBondContact O-OG 3.49Å
273K77.8Confident70.3Confident164 Ų16463.8 Ų63.871%0.71335%0.349SS*.Hα-helixtrans-63.5-29.7174.2-65.3-173.6180-175.90114.2N271 S276N271-K273 PolarHBondContact O-N 2.92Å; N271-K273 VanDerWaalsContact O-N 3.14Å; K273-S276 PolarHBondContact O-OG 3.08Å
274E79.7Confident72.3Confident33 Ų3362.3 Ų62.315%0.15433%0.333CS..Hα-helixtrans-79.2-43.5175.3-172.262.7-155.900109.6A270 N271 E272 S276 K277 P280 T281A270-E274 HydrophobicContact CB-CB 4.25Å; A270-E274 HydrophobicContact CB-CG 4.22Å; N271-E274 WeakPolarHBondContact O-CA 3.14Å; N271-E274 WeakPolarHBondContact O-CB 3.37Å; N271-E274 PolarHBondContact O-N 3.18Å; E272-E274 VanDerWaalsContact C-N 3.28Å; E272-E274 PolarHBondContact O-N 3.23Å; E274-S276 PolarHBondContact O-N 2.83Å; E274-K277 WeakPolarHBondContact O-CB 3.49Å; E274-K277 PolarHBondContact O-N 2.85Å; E274-K277 VanDerWaalsContact O-N 3.1Å; E274-K277 IonicContact OE1-NZ 2.64Å; E274-K277 PolarHBondContact OE1-NZ 3.42Å; E274-K277 VanDerWaalsContact OE2-CE 3.23Å; E274-K277 WeakPolarHBondContact OE2-CE 3.28Å; E274-K277 IonicContact OE2-NZ 3.92Å; E274-K277 PolarHBondContact OE2-NZ 3.31Å; E274-P280 VanDerWaalsContact O-CB 3.3Å; E274-P280 WeakPolarHBondContact O-CB 3.38Å; E274-T281 WeakPolarHBondContact OE1-CB 3.45Å; E274-T281 PolarHBondContact OE1-N 3.24Å; E274-T281 PolarHBondContact OE1-OG1 2.81Å; E274-T281 VanDerWaalsContact OE1-OG1 3.07Å
275K81Confident74.1Confident83 Ų8359.8 Ų59.836%0.36132%0.317SS..Hα-helixtrans-62.3-25.3177-66.9-171.8173.9-166.40113.4E269 A270 N271 E272 K277 D286E269-K275 IonicContact OE1-NZ 3.23Å; E269-K275 PolarHBondContact OE1-NZ 2.8Å; A270-K275 HydrophobicContact CB-CD 4.43Å; A270-K275 HydrophobicContact CB-CG 3.79Å; A270-K275 WeakPolarHBondContact O-CE 3.33Å; N271-K275 PolarHBondContact O-N 2.81Å; E272-K275 PolarHBondContact O-N 3.11Å; K275-K277 VanDerWaalsContact C-N 3.31Å; K275-D286 WeakPolarHBondContact CE-OD1 3.38Å; K275-D286 IonicContact NZ-OD1 3.08Å; K275-D286 PolarHBondContact NZ-OD1 3.18Å
276S78.7Confident75.8Confident97 Ų9759.3 Ų59.368%0.67831%0.312SS*.THydrogen-bonded Turntrans-79.6-7.7176.365.10000114.5E272 K273 E274E272-S276 PolarHBondContact O-N 3.11Å; E272-S276 PolarHBondContact O-OG 3.49Å; K273-S276 PolarHBondContact O-OG 3.08Å; E274-S276 PolarHBondContact O-N 2.83Å
277K82.7Confident77.3Confident53 Ų5354.4 Ų54.423%0.2328%0.282CS..SBendtrans-73.6152.3176.3-67178179173.30110E274 K275 L279E274-K277 WeakPolarHBondContact O-CB 3.49Å; E274-K277 PolarHBondContact O-N 2.85Å; E274-K277 VanDerWaalsContact O-N 3.1Å; E274-K277 IonicContact OE1-NZ 2.64Å; E274-K277 PolarHBondContact OE1-NZ 3.42Å; E274-K277 VanDerWaalsContact OE2-CE 3.23Å; E274-K277 WeakPolarHBondContact OE2-CE 3.28Å; E274-K277 IonicContact OE2-NZ 3.92Å; E274-K277 PolarHBondContact OE2-NZ 3.31Å; K275-K277 VanDerWaalsContact C-N 3.31Å; K277-L279 PolarHBondContact O-N 2.87Å
278P79.6Confident78.3Confident110 Ų11053.7 Ų53.771%0.71428%0.277SS*.SBendtrans-59.3-3317723.6-34.1000112.5M386P278-M386 HydrophobicContact CG-CG 4.46Å; P278-M386 HydrophobicContact CG-SD 3.64Å
279L83.7Confident78.7Confident18 Ų1855 Ų559%0.09429%0.292CS..SBendtrans-127.491.6172.7-172.565.8000109.3I195 H196 K277I195-L279 HydrophobicContact CB-CD2 4.1Å; I195-L279 HydrophobicContact CG2-CD1 4.42Å; I195-L279 HydrophobicContact CG2-CD2 4.09Å; I195-L279 WeakPolarHBondContact O-CD1 3.48Å; H196-L279 VanDerWaalsContact C-CD1 3.48Å; H196-L279 WeakPolarHBondContact O-CD1 3.45Å; K277-L279 PolarHBondContact O-N 2.87Å
280P85Confident79Confident28 Ų2856.3 Ų56.318%0.18230%0.3CS..  trans-73141.7-178.230-35000111.3E274 L282E274-P280 VanDerWaalsContact O-CB 3.3Å; E274-P280 WeakPolarHBondContact O-CB 3.38Å; P280-L282 HydrophobicContact CB-CD2 4.23Å; P280-L282 HydrophobicContact CG-CD2 4.22Å; P280-L282 HydrophobicContact CG-CG 4.37Å; P280-L282 PolarHBondContact O-N 3.21Å
281T84.8Confident78.8Confident11 Ų1160.8 Ų60.87%0.06732%0.323CS..EExtended strand (participates in β ladder)trans-84.396.7166.1-47.50000109.2K198 D200 E274K198-T281 HydrophobicContact CD-CG2 4.07Å; K198-T281 WeakPolarHBondContact CE-OG1 3.47Å; K198-T281 HydrophobicContact CG-CG2 4.24Å; K198-T281 PolarHBondContact NZ-OG1 2.83Å; D200-T281 HydrophobicContact CB-CG2 3.74Å; E274-T281 WeakPolarHBondContact OE1-CB 3.45Å; E274-T281 PolarHBondContact OE1-N 3.24Å; E274-T281 PolarHBondContact OE1-OG1 2.81Å; E274-T281 VanDerWaalsContact OE1-OG1 3.07Å
282L85.3Confident78.3Confident23 Ų2357.6 Ų57.612%0.1231%0.308CS..EExtended strand (participates in β ladder)trans-75.2161.7177.4-61.5178.4000110.8K198 Y199 D200 A270 P280 D286K198-L282 WeakPolarHBondContact O-CB 3.37Å; K198-L282 PolarHBondContact O-N 2.75Å; Y199-L282 CarbonylContact C-O 3.54Å; Y199-L282 VanDerWaalsContact CA-O 3.27Å; Y199-L282 WeakPolarHBondContact CA-O 3.35Å; Y199-L282 HydrophobicContact CD1-CB 3.43Å; Y199-L282 VanDerWaalsContact CD1-CB 3.43Å; Y199-L282 HydrophobicContact CD1-CD1 4.1Å; Y199-L282 HydrophobicContact CD1-CG 4.38Å; Y199-L282 HydrophobicContact CE1-CB 3.73Å; Y199-L282 HydrophobicContact CE1-CD1 3.5Å; Y199-L282 VanDerWaalsContact CE1-CD1 3.5Å; Y199-L282 HydrophobicContact CE1-CG 4.26Å; Y199-L282 HydrophobicContact CG-CB 4.32Å; D200-L282 PolarHBondContact N-O 2.86Å; A270-L282 HydrophobicContact CB-CD2 4.17Å; P280-L282 HydrophobicContact CB-CD2 4.23Å; P280-L282 HydrophobicContact CG-CD2 4.22Å; P280-L282 HydrophobicContact CG-CG 4.37Å; P280-L282 PolarHBondContact O-N 3.21Å; L282-D286 HydrophobicContact CB-CB 3.84Å; L282-D286 HydrophobicContact CD2-CB 4.07Å; L282-D286 HydrophobicContact CG-CB 4.36Å
283K85.3Confident78.2Confident32 Ų3254.3 Ų54.314%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-124.5177.5-176.4-65.5-176.1-166.6158.20112.9D200 D267 R268 E269 A285 D286 F287 L393D200-K283 WeakPolarHBondContact O-CA 3.36Å; D267-K283 PolarHBondContact O-NZ 2.65Å; R268-K283 VanDerWaalsContact O-CB 3.23Å; R268-K283 WeakPolarHBondContact O-CB 3.35Å; E269-K283 PolarHBondContact O-NZ 2.69Å; K283-A285 VanDerWaalsContact C-N 3.29Å; K283-A285 PolarHBondContact O-N 2.61Å; K283-D286 PolarHBondContact N-OD2 3.1Å; K283-D286 WeakPolarHBondContact O-CB 3.44Å; K283-D286 PolarHBondContact O-N 2.82Å; K283-F287 PolarHBondContact O-N 3.11Å; K283-L393 HydrophobicContact CD-CD1 4.31Å
284D81.1Confident78.4Confident4 Ų446.7 Ų46.72%0.02126%0.258CS..Hα-helixtrans-15.4-61.4160.2-65.8-29.9000116.1L201 K202 N203 L205 R268L201-D284 WeakPolarHBondContact CA-OD1 3.45Å; K202-D284 PolarHBondContact N-OD1 3.15Å; N203-D284 WeakPolarHBondContact CA-OD1 3.3Å; N203-D284 HydrophobicContact CB-CB 4.05Å; N203-D284 VanDerWaalsContact CB-CG 3.45Å; N203-D284 WeakPolarHBondContact CB-OD1 3.41Å; N203-D284 VanDerWaalsContact CG-CB 3.46Å; N203-D284 PolarHBondContact N-OD1 3.01Å; N203-D284 VanDerWaalsContact ND2-CB 3.33Å; N203-D284 WeakPolarHBondContact ND2-CB 3.5Å; L205-D284 HydrophobicContact CD1-CB 4.45Å; R268-D284 HydrophobicContact CB-CB 4.48Å; R268-D284 WeakPolarHBondContact CD-OD2 3.36Å; R268-D284 IonicContact CZ-OD2 3.98Å; R268-D284 IonicContact NH1-OD2 3.11Å; R268-D284 PolarHBondContact NH1-OD2 3.08Å
285A75.5Confident78.7Confident18 Ų1848.3 Ų48.315%0.14927%0.265CS..Hα-helixtrans-80.1-31.7-174.800000113.5R268 K283 T289R268-A285 HydrophobicContact CB-CB 4.41Å; R268-A285 WeakPolarHBondContact O-CB 3.39Å; R268-A285 PolarHBondContact O-N 2.89Å; K283-A285 VanDerWaalsContact C-N 3.29Å; K283-A285 PolarHBondContact O-N 2.61Å; A285-T289 WeakPolarHBondContact O-CB 3.41Å; A285-T289 PolarHBondContact O-N 3.4Å; A285-T289 VanDerWaalsContact O-N 3.14Å; A285-T289 PolarHBondContact O-OG1 2.93Å
286D81.3Confident79.1Confident8 Ų844.6 Ų44.64%0.04325%0.249CC..Hα-helixtrans-66.9-44.5175.5-58.7-69.8000109.7E269 A270 K275 L282 K283 L288 T289 D290E269-D286 WeakPolarHBondContact CA-OD2 3.17Å; E269-D286 WeakPolarHBondContact CG-OD1 3.42Å; A270-D286 PolarHBondContact N-OD2 3.18Å; K275-D286 WeakPolarHBondContact CE-OD1 3.38Å; K275-D286 IonicContact NZ-OD1 3.08Å; K275-D286 PolarHBondContact NZ-OD1 3.18Å; L282-D286 HydrophobicContact CB-CB 3.84Å; L282-D286 HydrophobicContact CD2-CB 4.07Å; L282-D286 HydrophobicContact CG-CB 4.36Å; K283-D286 PolarHBondContact N-OD2 3.1Å; K283-D286 WeakPolarHBondContact O-CB 3.44Å; K283-D286 PolarHBondContact O-N 2.82Å; D286-L288 VanDerWaalsContact C-N 3.33Å; D286-L288 PolarHBondContact O-N 2.85Å; D286-T289 WeakPolarHBondContact O-CA 3.29Å; D286-T289 WeakPolarHBondContact O-CB 3.47Å; D286-T289 PolarHBondContact O-N 3.05Å; D286-D290 PolarHBondContact O-N 3.37Å
287F79.1Confident79.6Confident3 Ų341 Ų411%0.01323%0.227CC..Hα-helixtrans-55.8-45.7178.5-170.2-87.2000112.5Y199 L201 K283 T289 C292 F554 C558Y199-F287 HydrophobicContact CD1-CB 3.98Å; Y199-F287 AromaticContact CD1-CD2 3.58Å; Y199-F287 HydrophobicContact CD1-CD2 3.58Å; Y199-F287 HydrophobicContact CD1-CG 4.28Å; Y199-F287 AromaticContact CD2-CD2 3.97Å; Y199-F287 HydrophobicContact CD2-CD2 3.97Å; Y199-F287 HydrophobicContact CD2-CE2 4.24Å; Y199-F287 HydrophobicContact CE1-CB 4.24Å; Y199-F287 AromaticContact CE1-CD2 3.79Å; Y199-F287 HydrophobicContact CE1-CD2 3.79Å; Y199-F287 HydrophobicContact CE1-CG 4.47Å; Y199-F287 HydrophobicContact CE2-CD2 4.15Å; Y199-F287 HydrophobicContact CE2-CE2 4.34Å; Y199-F287 AromaticContact CG-CD2 3.67Å; Y199-F287 HydrophobicContact CG-CD2 3.67Å; Y199-F287 HydrophobicContact CG-CE2 4.35Å; L201-F287 HydrophobicContact CD1-CD2 4.41Å; L201-F287 HydrophobicContact CD2-CB 3.95Å; L201-F287 HydrophobicContact CD2-CD2 4.32Å; L201-F287 HydrophobicContact CD2-CG 4.15Å; K283-F287 PolarHBondContact O-N 3.11Å; F287-T289 VanDerWaalsContact C-N 3.34Å; F287-C292 HydrophobicContact CD2-CB 4.21Å; F287-C292 HydrophobicContact CE1-CB 4.38Å; F287-C292 WeakPolarHBondContact CE1-O 3.29Å; F287-C292 HydrophobicContact CE2-CB 3.96Å; F287-C292 HydrophobicContact CZ-CB 4.04Å; F287-C292 WeakPolarHBondContact CZ-O 3.44Å; F287-C292 PolarHBondContact O-N 2.86Å; F287-F554 HydrophobicContact CD1-CZ 4.5Å; F287-C558 HydrophobicContact CE1-CB 3.58Å; F287-C558 WeakPolarHBondContact CE1-SG 3.3Å; F287-C558 HydrophobicContact CZ-CB 3.92Å
288L75.2Confident80Confident71 Ų7146.5 Ų46.537%0.37225%0.254SS..Hα-helixtrans-68.4-32.3176.4-70173.6000112.9D286 F554D286-L288 VanDerWaalsContact C-N 3.33Å; D286-L288 PolarHBondContact O-N 2.85Å; L288-F554 HydrophobicContact CD1-CE2 4.36Å; L288-F554 HydrophobicContact CD2-CE2 4.16Å; L288-F554 HydrophobicContact CG-CE2 4.3Å
289T70.6Confident80.6Confident81 Ų8149.3 Ų49.350%0.49726%0.258SS..Hα-helixtrans-72.9-36.7-179.9-59.10000111.3A285 D286 F287 L291A285-T289 WeakPolarHBondContact O-CB 3.41Å; A285-T289 PolarHBondContact O-N 3.4Å; A285-T289 VanDerWaalsContact O-N 3.14Å; A285-T289 PolarHBondContact O-OG1 2.93Å; D286-T289 WeakPolarHBondContact O-CA 3.29Å; D286-T289 WeakPolarHBondContact O-CB 3.47Å; D286-T289 PolarHBondContact O-N 3.05Å; F287-T289 VanDerWaalsContact C-N 3.34Å; T289-L291 PolarHBondContact O-N 2.86Å; T289-L291 VanDerWaalsContact O-N 3.16Å
290D70.2Confident81.1Confident85 Ų8550.9 Ų50.946%0.45527%0.27SS..THydrogen-bonded Turntrans-72.3-2.7179.4-68.8-15.4000112.9D286 C292D286-D290 PolarHBondContact O-N 3.37Å; D290-C292 HydrophobicContact CB-CB 4.24Å; D290-C292 PolarHBondContact O-N 3.25Å
291L62.2Low81.5Confident100 Ų10051.7 Ų51.752%0.52427%0.271SS..THydrogen-bonded Turntrans49.530.7-171.2-65.3170.7000111.3H246 L250 T289 K293H246-L291 WeakPolarHBondContact NE2-CD2 3.35Å; L250-L291 HydrophobicContact CD1-CD2 4.15Å; T289-L291 PolarHBondContact O-N 2.86Å; T289-L291 VanDerWaalsContact O-N 3.16Å; L291-K293 PolarHBondContact O-N 3.23Å
292C66.2Low81.9Confident26 Ų2658.8 Ų58.818%0.17630%0.301CS..  trans-71.1119-176-165.40000107.6F287 D290F287-C292 HydrophobicContact CD2-CB 4.21Å; F287-C292 HydrophobicContact CE1-CB 4.38Å; F287-C292 WeakPolarHBondContact CE1-O 3.29Å; F287-C292 HydrophobicContact CE2-CB 3.96Å; F287-C292 HydrophobicContact CZ-CB 4.04Å; F287-C292 WeakPolarHBondContact CZ-O 3.44Å; F287-C292 PolarHBondContact O-N 2.86Å; D290-C292 HydrophobicContact CB-CB 4.24Å; D290-C292 PolarHBondContact O-N 3.25Å
293K76.6Confident82.3Confident92 Ų9263.9 Ų63.940%0.432%0.322SS..  trans-120.5134.2168-66.8-167.3178.9-174.20108.8L291 H295 C558 D560L291-K293 PolarHBondContact O-N 3.23Å; K293-H295 PolarHBondContact O-CE1 3.03Å; K293-H295 PolarHBondContact O-N 3.29Å; K293-H295 PolarHBondContact O-ND1 3.37Å; K293-C558 WeakPolarHBondContact CA-O 3.36Å; K293-D560 HydrophobicContact CB-CB 4.44Å; K293-D560 HydrophobicContact CD-CB 4.24Å; K293-D560 VanDerWaalsContact CD-OD1 3.24Å; K293-D560 WeakPolarHBondContact CD-OD1 3.5Å; K293-D560 WeakPolarHBondContact CD-OD2 3.15Å; K293-D560 WeakPolarHBondContact CE-OD1 3.13Å; K293-D560 WeakPolarHBondContact CE-OD2 3.44Å; K293-D560 IonicContact NZ-OD1 2.77Å; K293-D560 PolarHBondContact NZ-OD1 3.4Å; K293-D560 IonicContact NZ-OD2 3.53Å; K293-D560 PolarHBondContact NZ-OD2 3.32Å
294M83.1Confident82.8Confident4 Ų462.7 Ų62.72%0.0232%0.317CS..BIsolated β-bridgetrans-79.5109.8176-62.2175.674.400107.7I296 I327 Y509 V511 C558 I559 D560M294-I296 HydrophobicContact CB-CD1 3.96Å; M294-I296 HydrophobicContact CB-CG1 4.17Å; M294-I296 HydrophobicContact CE-CD1 3.65Å; M294-I296 PolarHBondContact O-N 3.03Å; M294-I327 HydrophobicContact CE-CD1 4.43Å; M294-I327 HydrophobicContact CE-CG2 4.31Å; M294-I327 HydrophobicContact SD-CD1 3.71Å; M294-Y509 HydrophobicContact CB-CE1 4.31Å; M294-Y509 HydrophobicContact CE-CD1 3.83Å; M294-Y509 HydrophobicContact CE-CD2 4.34Å; M294-Y509 HydrophobicContact CE-CG 3.69Å; M294-Y509 HydrophobicContact CG-CD1 4.2Å; M294-Y509 HydrophobicContact CG-CE1 4.1Å; M294-V511 HydrophobicContact CE-CG2 3.52Å; M294-C558 PolarHBondContact N-O 3.29Å; M294-I559 HydrophobicContact CB-CG1 4.34Å; M294-I559 WeakPolarHBondContact O-CA 3.25Å; M294-I559 WeakPolarHBondContact O-CG2 3.5Å; M294-I559 HydrophobicContact SD-CG1 4.48Å; M294-D560 PolarHBondContact O-N 3.35Å
295H86.6Confident83.4Confident67 Ų6763.5 Ų63.531%0.3132%0.321SS..  trans-86.191.8177.5-62.582000108.4K293 S499 S500 Y509K293-H295 PolarHBondContact O-CE1 3.03Å; K293-H295 PolarHBondContact O-N 3.29Å; K293-H295 PolarHBondContact O-ND1 3.37Å; H295-S499 CarbonylContact O-C 3.59Å; H295-S499 WeakPolarHBondContact O-CA 3.32Å; H295-S499 VanDerWaalsContact O-CB 3.27Å; H295-S499 WeakPolarHBondContact O-CB 3.23Å; H295-S500 PolarHBondContact O-N 3.32Å; H295-Y509 PolarHBondContact N-OH 3.31Å
296I88.8Confident84.4Confident5 Ų565.2 Ų65.23%0.02633%0.332CS..  trans-117.5135.8-176-62.7171.9000108M294 M304 I497 Y509 I559M294-I296 HydrophobicContact CB-CD1 3.96Å; M294-I296 HydrophobicContact CB-CG1 4.17Å; M294-I296 HydrophobicContact CE-CD1 3.65Å; M294-I296 PolarHBondContact O-N 3.03Å; I296-M304 HydrophobicContact CD1-CE 3.91Å; I296-M304 HydrophobicContact CD1-SD 4.29Å; I296-I497 HydrophobicContact CD1-CG2 4.19Å; I296-I497 HydrophobicContact CG1-CG2 4.31Å; I296-I497 HydrophobicContact CG2-CG2 3.76Å; I296-Y509 HydrophobicContact CD1-CD2 4.26Å; I296-Y509 HydrophobicContact CG1-CD2 3.95Å; I296-Y509 HydrophobicContact CG1-CE2 4.01Å; I296-I559 HydrophobicContact CB-CG2 4.19Å; I296-I559 HydrophobicContact CD1-CG2 4.45Å
297G89.1Confident85.1Confident21 Ų2166.2 Ų66.222%0.21634%0.338CS..  trans-57.8148.6178.400000112.5E299 S300 K301G297-E299 VanDerWaalsContact C-N 3.28Å; G297-E299 PolarHBondContact O-N 3.37Å; G297-E299 VanDerWaalsContact O-N 3.16Å; G297-S300 PolarHBondContact O-N 3.19Å; G297-K301 PolarHBondContact O-N 3.42Å
298E91.3Very high85.9Confident170 Ų17066.1 Ų66.179%0.79434%0.338SS*.Hα-helixtrans-53.8-40.3-171.9-170.2-179.1173.400113.4K301 K302E298-K301 PolarHBondContact O-N 3.31Å; E298-K302 WeakPolarHBondContact O-CB 3.29Å; E298-K302 PolarHBondContact O-N 3.4Å
299E92.7Very high86.8Confident169 Ų16967.7 Ų67.779%0.7934%0.343SS*.Hα-helixtrans-63.1-45.5176.7-173.4-177.4-178.800112G297 K302 K303G297-E299 VanDerWaalsContact C-N 3.28Å; G297-E299 PolarHBondContact O-N 3.37Å; G297-E299 VanDerWaalsContact O-N 3.16Å; E299-K302 PolarHBondContact O-N 2.98Å; E299-K303 WeakPolarHBondContact O-CB 3.46Å; E299-K303 PolarHBondContact O-N 3.02Å
300S92.3Very high88.1Confident51 Ų5166.9 Ų66.936%0.35734%0.34SS..Hα-helixtrans-69-37.7178.6-70.40000111.5G297 K303 M304G297-S300 PolarHBondContact O-N 3.19Å; S300-K303 PolarHBondContact O-N 2.95Å; S300-M304 VanDerWaalsContact O-CB 3.27Å; S300-M304 WeakPolarHBondContact O-CB 3.36Å; S300-M304 PolarHBondContact O-N 2.9Å
301K93.2Very high89.4Confident45 Ų4562.8 Ų62.820%0.19632%0.318CS..Hα-helixtrans-59.3-50.9172.5178.2176.8-165.9164.90110.9G297 E298 K303 M304 L305 I559 D560G297-K301 PolarHBondContact O-N 3.42Å; E298-K301 PolarHBondContact O-N 3.31Å; K301-K303 PolarHBondContact O-N 2.94Å; K301-M304 PolarHBondContact O-N 3.43Å; K301-L305 HydrophobicContact CG-CD1 4Å; K301-L305 WeakPolarHBondContact O-CB 3.46Å; K301-L305 WeakPolarHBondContact O-CG 2.99Å; K301-L305 PolarHBondContact O-N 3.2Å; K301-I559 HydrophobicContact CB-CG2 4.34Å; K301-I559 HydrophobicContact CD-CG2 3.75Å; K301-I559 HydrophobicContact CG-CG2 3.86Å; K301-I559 PolarHBondContact NZ-O 3.05Å; K301-D560 PolarHBondContact NZ-OXT 3.19Å
302K94.4Very high90.9Very high160 Ų16058.3 Ų58.370%0.69630%0.295SS*.Hα-helixtrans-60.1-45178.7-175.4177.9-179.6178.40112E298 E299 S306E298-K302 WeakPolarHBondContact O-CB 3.29Å; E298-K302 PolarHBondContact O-N 3.4Å; E299-K302 PolarHBondContact O-N 2.98Å; K302-S306 WeakPolarHBondContact O-CB 3.38Å; K302-S306 PolarHBondContact O-N 2.9Å; K302-S306 PolarHBondContact O-OG 2.97Å
303K94.4Very high92.3Very high129 Ų12962 Ų6256%0.56131%0.31SS*.Hα-helixtrans-63.9-42.9177.1-174.6-176.7177.1-173.60112.1E299 S300 K301 S306 T307E299-K303 WeakPolarHBondContact O-CB 3.46Å; E299-K303 PolarHBondContact O-N 3.02Å; S300-K303 PolarHBondContact O-N 2.95Å; K301-K303 PolarHBondContact O-N 2.94Å; K303-S306 PolarHBondContact O-OG 3.15Å; K303-T307 WeakPolarHBondContact O-CB 3.39Å; K303-T307 PolarHBondContact O-N 3.39Å; K303-T307 VanDerWaalsContact O-N 3.08Å; K303-T307 PolarHBondContact O-OG1 3.11Å
304M94.2Very high93.2Very high7 Ų758 Ų583%0.03429%0.292CS..Hα-helixtrans-66.7-46.3179.8-175.4179.365.400111.4L163 I296 S300 K301 T307 L308 I497 V511 I559L163-M304 HydrophobicContact CD1-CG 4.31Å; I296-M304 HydrophobicContact CD1-CE 3.91Å; I296-M304 HydrophobicContact CD1-SD 4.29Å; S300-M304 VanDerWaalsContact O-CB 3.27Å; S300-M304 WeakPolarHBondContact O-CB 3.36Å; S300-M304 PolarHBondContact O-N 2.9Å; K301-M304 PolarHBondContact O-N 3.43Å; M304-T307 PolarHBondContact O-N 3.39Å; M304-L308 VanDerWaalsContact O-CB 3.28Å; M304-L308 WeakPolarHBondContact O-CB 3.34Å; M304-L308 PolarHBondContact O-N 3.37Å; M304-I497 HydrophobicContact CB-CD1 4.15Å; M304-I497 HydrophobicContact CG-CD1 3.92Å; M304-I497 HydrophobicContact SD-CD1 3.39Å; M304-I497 WeakPolarHBondContact SD-CD1 3.45Å; M304-V511 HydrophobicContact SD-CB 4.39Å; M304-V511 HydrophobicContact SD-CG1 4.25Å; M304-V511 HydrophobicContact SD-CG2 4.24Å; M304-I559 HydrophobicContact CE-CD1 3.12Å; M304-I559 HydrophobicContact CE-CG1 3.83Å
305L94.7Very high93.7Very high22 Ų2257.9 Ų57.912%0.11529%0.291CS..Hα-helixtrans-63.8-43.7178.4-71.4175.6000111.8K301 T307 L308 E309 L552 V555 E556 I559K301-L305 HydrophobicContact CG-CD1 4Å; K301-L305 WeakPolarHBondContact O-CB 3.46Å; K301-L305 WeakPolarHBondContact O-CG 2.99Å; K301-L305 PolarHBondContact O-N 3.2Å; L305-T307 VanDerWaalsContact C-N 3.32Å; L305-T307 PolarHBondContact O-N 3.44Å; L305-L308 PolarHBondContact O-N 3.44Å; L305-E309 WeakPolarHBondContact O-CB 3.28Å; L305-E309 WeakPolarHBondContact O-CG 3.2Å; L305-E309 PolarHBondContact O-N 2.94Å; L305-L552 HydrophobicContact CD2-CD1 4.36Å; L305-V555 HydrophobicContact CD2-CG1 4.37Å; L305-E556 HydrophobicContact CD1-CG 4.36Å; L305-E556 HydrophobicContact CD2-CB 4.43Å; L305-I559 HydrophobicContact CD2-CD1 4.11Å; L305-I559 HydrophobicContact CG-CD1 4.48Å
306S95.8Very high94Very high54 Ų5456.7 Ų56.738%0.37829%0.286SS..Hα-helixtrans-64.9-35.5177.567.40000113K302 K303 C310K302-S306 WeakPolarHBondContact O-CB 3.38Å; K302-S306 PolarHBondContact O-N 2.9Å; K302-S306 PolarHBondContact O-OG 2.97Å; K303-S306 PolarHBondContact O-OG 3.15Å; S306-C310 PolarHBondContact O-N 3.25Å; S306-C310 PolarHBondContact O-SG 3.01Å
307T96.3Very high94.1Very high29 Ų2962.4 Ų62.418%0.17831%0.313CS..Hα-helixtrans-68-46174.3-53.60000110.4L163 K303 M304 L305 E309 C310 D311L163-T307 HydrophobicContact CG-CG2 4.04Å; K303-T307 WeakPolarHBondContact O-CB 3.39Å; K303-T307 PolarHBondContact O-N 3.39Å; K303-T307 VanDerWaalsContact O-N 3.08Å; K303-T307 PolarHBondContact O-OG1 3.11Å; M304-T307 PolarHBondContact O-N 3.39Å; L305-T307 VanDerWaalsContact C-N 3.32Å; L305-T307 PolarHBondContact O-N 3.44Å; T307-E309 VanDerWaalsContact C-N 3.32Å; T307-E309 PolarHBondContact O-N 3.25Å; T307-C310 PolarHBondContact O-N 3.23Å; T307-D311 WeakPolarHBondContact O-CB 3.17Å; T307-D311 PolarHBondContact O-N 3.06Å
308L95.5Very high94.3Very high1 Ų162.4 Ų62.41%0.00531%0.308CS..Hα-helixtrans-61.8-38.9178.5-176.660.3000112L163 M304 L305 D311 I312 L325 I513 L552 V555L163-L308 HydrophobicContact CD1-CB 3.99Å; L163-L308 HydrophobicContact CD1-CD1 4.11Å; M304-L308 VanDerWaalsContact O-CB 3.28Å; M304-L308 WeakPolarHBondContact O-CB 3.34Å; M304-L308 PolarHBondContact O-N 3.37Å; L305-L308 PolarHBondContact O-N 3.44Å; L308-D311 PolarHBondContact O-N 2.74Å; L308-I312 HydrophobicContact CD1-CD1 3.86Å; L308-I312 HydrophobicContact CD1-CG1 4.13Å; L308-I312 HydrophobicContact CD2-CD1 4.49Å; L308-I312 HydrophobicContact CG-CD1 3.79Å; L308-I312 HydrophobicContact CG-CG1 4.42Å; L308-I312 VanDerWaalsContact O-CB 3.28Å; L308-I312 WeakPolarHBondContact O-CB 3.31Å; L308-I312 VanDerWaalsContact O-CG1 3.23Å; L308-I312 WeakPolarHBondContact O-CG1 3.32Å; L308-I312 PolarHBondContact O-N 3Å; L308-L325 HydrophobicContact CD1-CD1 4.25Å; L308-I513 HydrophobicContact CD1-CD1 3.85Å; L308-I513 HydrophobicContact CD1-CG1 4.15Å; L308-L552 HydrophobicContact CD2-CD1 4.05Å; L308-L552 HydrophobicContact CG-CD1 4.16Å; L308-V555 HydrophobicContact CD2-CB 3.98Å; L308-V555 HydrophobicContact CD2-CG1 3.72Å; L308-V555 HydrophobicContact CD2-CG2 4.09Å
309E95.8Very high94.2Very high103 Ų10357.4 Ų57.448%0.48129%0.287SS..Hα-helixtrans-59.9-50.5173.5-79.3173.9-176.600111.9L305 T307 D311 I312 Q313 L552L305-E309 WeakPolarHBondContact O-CB 3.28Å; L305-E309 WeakPolarHBondContact O-CG 3.2Å; L305-E309 PolarHBondContact O-N 2.94Å; T307-E309 VanDerWaalsContact C-N 3.32Å; T307-E309 PolarHBondContact O-N 3.25Å; E309-D311 VanDerWaalsContact C-N 3.33Å; E309-D311 PolarHBondContact O-N 3.18Å; E309-I312 PolarHBondContact O-N 2.97Å; E309-Q313 WeakPolarHBondContact O-CB 3.38Å; E309-Q313 PolarHBondContact O-N 2.95Å; E309-L552 HydrophobicContact CG-CD1 3.72Å; E309-L552 HydrophobicContact CG-CD2 3.56Å; E309-L552 HydrophobicContact CG-CG 4.29Å
310C96.4Very high94.2Very high64 Ų6449.4 Ų49.443%0.43225%0.249SC..Hα-helixtrans-59.5-44.2176.6-65.10000111.6Y154 S306 T307 Q313 F314Y154-C310 WeakPolarHBondContact OH-CB 3.42Å; Y154-C310 PolarHBondContact OH-O 2.99Å; S306-C310 PolarHBondContact O-N 3.25Å; S306-C310 PolarHBondContact O-SG 3.01Å; T307-C310 PolarHBondContact O-N 3.23Å; C310-Q313 PolarHBondContact O-N 3.01Å; C310-F314 PolarHBondContact O-N 2.88Å
311D97.2Very high94Very high0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-66.1-43.9-179-69.8-23.8000111.5Y154 T162 L163 L164 T307 L308 E309 Q313 F314 L315 I513Y154-D311 VanDerWaalsContact CE1-OD1 3.29Å; Y154-D311 WeakPolarHBondContact CE1-OD1 3.42Å; Y154-D311 VanDerWaalsContact CZ-OD1 3.31Å; Y154-D311 WeakPolarHBondContact OH-CA 3.42Å; Y154-D311 PolarHBondContact OH-N 2.85Å; Y154-D311 VanDerWaalsContact OH-N 3.11Å; Y154-D311 PolarHBondContact OH-OD1 3.04Å; T162-D311 WeakPolarHBondContact CB-OD1 3.28Å; T162-D311 PolarHBondContact OG1-OD1 3.03Å; T162-D311 PolarHBondContact OG1-OD2 2.96Å; L163-D311 WeakPolarHBondContact CA-OD2 3.38Å; L163-D311 VanDerWaalsContact CB-OD2 3.27Å; L163-D311 WeakPolarHBondContact CB-OD2 3.25Å; L163-D311 PolarHBondContact N-OD2 3.15Å; L164-D311 HydrophobicContact CD2-CB 4.2Å; L164-D311 HydrophobicContact CG-CB 4.05Å; T307-D311 WeakPolarHBondContact O-CB 3.17Å; T307-D311 PolarHBondContact O-N 3.06Å; L308-D311 PolarHBondContact O-N 2.74Å; E309-D311 VanDerWaalsContact C-N 3.33Å; E309-D311 PolarHBondContact O-N 3.18Å; D311-Q313 VanDerWaalsContact C-N 3.32Å; D311-Q313 PolarHBondContact O-N 2.92Å; D311-F314 WeakPolarHBondContact O-CB 3.47Å; D311-F314 PolarHBondContact O-N 3.14Å; D311-L315 VanDerWaalsContact O-CG 3.3Å; D311-L315 WeakPolarHBondContact O-CG 3.44Å; D311-L315 PolarHBondContact O-N 2.83Å; D311-I513 HydrophobicContact CB-CD1 3.76Å
312I94.6Very high93.6Very high5 Ų546.6 Ų46.63%0.02623%0.232CC..Hα-helixtrans-64-40176.4-74.8172.3000110.7L308 E309 L315 Q316 G548 L551 L552L308-I312 HydrophobicContact CD1-CD1 3.86Å; L308-I312 HydrophobicContact CD1-CG1 4.13Å; L308-I312 HydrophobicContact CD2-CD1 4.49Å; L308-I312 HydrophobicContact CG-CD1 3.79Å; L308-I312 HydrophobicContact CG-CG1 4.42Å; L308-I312 VanDerWaalsContact O-CB 3.28Å; L308-I312 WeakPolarHBondContact O-CB 3.31Å; L308-I312 VanDerWaalsContact O-CG1 3.23Å; L308-I312 WeakPolarHBondContact O-CG1 3.32Å; L308-I312 PolarHBondContact O-N 3Å; E309-I312 PolarHBondContact O-N 2.97Å; I312-L315 PolarHBondContact O-N 3.14Å; I312-Q316 HydrophobicContact CG2-CG 4.34Å; I312-Q316 VanDerWaalsContact CG2-NE2 3.32Å; I312-Q316 VanDerWaalsContact O-CG 3.25Å; I312-Q316 WeakPolarHBondContact O-CG 3.39Å; I312-Q316 PolarHBondContact O-N 3.16Å; I312-G548 VanDerWaalsContact CG2-CA 3.45Å; I312-L551 HydrophobicContact CD1-CB 4.45Å; I312-L551 HydrophobicContact CD1-CD2 4.31Å; I312-L552 HydrophobicContact CD1-CB 4.03Å
313Q94.9Very high93.4Very high105 Ų10539 Ų3949%0.49120%0.199SC..Hα-helixtrans-59.9-46.5175.3-177.2-178.2-15.300111E309 C310 D311 L315 Q316 E317E309-Q313 WeakPolarHBondContact O-CB 3.38Å; E309-Q313 PolarHBondContact O-N 2.95Å; C310-Q313 PolarHBondContact O-N 3.01Å; D311-Q313 VanDerWaalsContact C-N 3.32Å; D311-Q313 PolarHBondContact O-N 2.92Å; Q313-L315 VanDerWaalsContact C-N 3.31Å; Q313-L315 PolarHBondContact O-N 2.86Å; Q313-Q316 WeakPolarHBondContact O-CB 3.32Å; Q313-Q316 PolarHBondContact O-N 2.75Å; Q313-Q316 VanDerWaalsContact O-N 3.15Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.07Å; Q313-E317 PolarHBondContact NE2-OE1 2.85Å; Q313-E317 WeakPolarHBondContact O-CG 3.3Å; Q313-E317 PolarHBondContact O-N 3.4Å
314F95.5Very high93.3Very high8 Ų832.8 Ų32.84%0.03517%0.172CC..Hα-helixtrans-56.8-43.8174.7167.6-95.2000112.3E150 Y151 Y154 L164 C310 D311 Q316 E317 N318E150-F314 HydrophobicContact CB-CE2 4.05Å; Y151-F314 HydrophobicContact CD2-CE1 4.3Å; Y151-F314 HydrophobicContact CD2-CZ 4.17Å; Y154-F314 HydrophobicContact CD1-CD2 4.32Å; Y154-F314 HydrophobicContact CD1-CG 4.22Å; Y154-F314 HydrophobicContact CD2-CB 3.96Å; Y154-F314 AromaticContact CD2-CD2 3.92Å; Y154-F314 HydrophobicContact CD2-CD2 3.92Å; Y154-F314 HydrophobicContact CD2-CG 4.11Å; Y154-F314 HydrophobicContact CE1-CB 4.48Å; Y154-F314 HydrophobicContact CE2-CB 3.87Å; Y154-F314 HydrophobicContact CE2-CG 4.44Å; Y154-F314 HydrophobicContact CG-CB 4.32Å; Y154-F314 AromaticContact CG-CD2 3.73Å; Y154-F314 HydrophobicContact CG-CD2 3.73Å; Y154-F314 HydrophobicContact CG-CE2 4.26Å; Y154-F314 HydrophobicContact CG-CG 4.01Å; L164-F314 HydrophobicContact CD1-CD1 3.55Å; L164-F314 HydrophobicContact CD1-CE1 3.9Å; L164-F314 HydrophobicContact CD1-CG 4.37Å; C310-F314 PolarHBondContact O-N 2.88Å; D311-F314 WeakPolarHBondContact O-CB 3.47Å; D311-F314 PolarHBondContact O-N 3.14Å; F314-Q316 VanDerWaalsContact C-N 3.34Å; F314-Q316 PolarHBondContact O-N 3.39Å; F314-E317 PolarHBondContact O-N 3.12Å; F314-N318 WeakPolarHBondContact CD2-ND2 3.41Å; F314-N318 WeakPolarHBondContact CE2-ND2 3.49Å; F314-N318 PolarHBondContact O-N 2.85Å; F314-N318 VanDerWaalsContact O-N 3.15Å; F314-N318 PolarHBondContact O-ND2 2.78Å
315L94.7Very high93.2Very high0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-64.2-38.2177.5-65.8172.2000112.2L164 D311 I312 Q313 N318 N319 L320 Y323 I513 I516L164-L315 HydrophobicContact CD2-CD1 3.96Å; L164-L315 HydrophobicContact CD2-CD2 3.89Å; L164-L315 HydrophobicContact CD2-CG 3.99Å; D311-L315 VanDerWaalsContact O-CG 3.3Å; D311-L315 WeakPolarHBondContact O-CG 3.44Å; D311-L315 PolarHBondContact O-N 2.83Å; I312-L315 PolarHBondContact O-N 3.14Å; Q313-L315 VanDerWaalsContact C-N 3.31Å; Q313-L315 PolarHBondContact O-N 2.86Å; L315-N318 PolarHBondContact O-N 3.4Å; L315-N319 PolarHBondContact O-N 2.85Å; L315-L320 HydrophobicContact CB-CB 4.35Å; L315-L320 HydrophobicContact CD2-CB 4.16Å; L315-L320 HydrophobicContact CD2-CD1 3.64Å; L315-L320 WeakPolarHBondContact O-CB 3.35Å; L315-L320 PolarHBondContact O-N 2.79Å; L315-Y323 HydrophobicContact CB-CD1 4.47Å; L315-Y323 HydrophobicContact CB-CE1 3.85Å; L315-Y323 HydrophobicContact CD1-CD1 3.81Å; L315-Y323 HydrophobicContact CD1-CD2 3.91Å; L315-Y323 HydrophobicContact CD1-CE1 3.71Å; L315-Y323 HydrophobicContact CD1-CE2 3.83Å; L315-Y323 HydrophobicContact CD1-CG 3.9Å; L315-Y323 HydrophobicContact CG-CE1 4.33Å; L315-I513 HydrophobicContact CD1-CD1 4.06Å; L315-I513 HydrophobicContact CD1-CG2 4.09Å; L315-I516 HydrophobicContact CD1-CG2 4.34Å; L315-I516 HydrophobicContact CD2-CB 3.8Å; L315-I516 HydrophobicContact CD2-CD1 4.31Å; L315-I516 HydrophobicContact CD2-CG2 3.82Å
316Q92.2Very high93.2Very high42 Ų4231.7 Ų31.720%0.19617%0.166CC..Hα-helixtrans-65.3-47176.5-71.4172.38.400111.7I312 Q313 F314 N318 N319I312-Q316 HydrophobicContact CG2-CG 4.34Å; I312-Q316 VanDerWaalsContact CG2-NE2 3.32Å; I312-Q316 VanDerWaalsContact O-CG 3.25Å; I312-Q316 WeakPolarHBondContact O-CG 3.39Å; I312-Q316 PolarHBondContact O-N 3.16Å; Q313-Q316 WeakPolarHBondContact O-CB 3.32Å; Q313-Q316 PolarHBondContact O-N 2.75Å; Q313-Q316 VanDerWaalsContact O-N 3.15Å; F314-Q316 VanDerWaalsContact C-N 3.34Å; F314-Q316 PolarHBondContact O-N 3.39Å; Q316-N318 PolarHBondContact O-N 2.93Å; Q316-N319 PolarHBondContact O-N 3.49Å
317E92Very high93Very high125 Ų12529.2 Ų29.258%0.58415%0.149SC*.Hα-helixtrans-59.1-36178.2-71.6173.5-172.900111.7Q313 F314 N319Q313-E317 WeakPolarHBondContact CG-OE1 3.07Å; Q313-E317 PolarHBondContact NE2-OE1 2.85Å; Q313-E317 WeakPolarHBondContact O-CG 3.3Å; Q313-E317 PolarHBondContact O-N 3.4Å; F314-E317 PolarHBondContact O-N 3.12Å; E317-N319 VanDerWaalsContact C-N 3.29Å; E317-N319 PolarHBondContact O-N 2.82Å; E317-N319 PolarHBondContact O-ND2 2.82Å
318N91.5Very high92.9Very high22 Ų2227.8 Ų27.812%0.11814%0.14CC..THydrogen-bonded Turntrans-84.85.3176.2-73.4-84.3000114.2F314 L315 Q316 L320F314-N318 WeakPolarHBondContact CD2-ND2 3.41Å; F314-N318 WeakPolarHBondContact CE2-ND2 3.49Å; F314-N318 PolarHBondContact O-N 2.85Å; F314-N318 VanDerWaalsContact O-N 3.15Å; F314-N318 PolarHBondContact O-ND2 2.78Å; L315-N318 PolarHBondContact O-N 3.4Å; Q316-N318 PolarHBondContact O-N 2.93Å; N318-L320 VanDerWaalsContact C-N 3.26Å; N318-L320 HydrophobicContact CB-CD1 3.78Å; N318-L320 HydrophobicContact CB-CG 3.85Å; N318-L320 PolarHBondContact O-N 3.46Å
319N91Very high92.7Very high65 Ų6528.2 Ų28.235%0.34814%0.143SC..THydrogen-bonded Turntrans55.337.6-178.1-62.8-89000113.5L315 Q316 E317 Y520 P544L315-N319 PolarHBondContact O-N 2.85Å; Q316-N319 PolarHBondContact O-N 3.49Å; E317-N319 VanDerWaalsContact C-N 3.29Å; E317-N319 PolarHBondContact O-N 2.82Å; E317-N319 PolarHBondContact O-ND2 2.82Å; N319-Y520 VanDerWaalsContact O-CB 3.31Å; N319-Y520 WeakPolarHBondContact O-CB 3.09Å; N319-Y520 PolarHBondContact O-N 3.47Å; N319-P544 HydrophobicContact CB-CG 4.48Å
320L91.3Very high92.6Very high0 Ų023.6 Ų23.60%012%0.121CC..BIsolated β-bridgetrans-92.1141.2179.4-58.6171.6000109.9Q143 M147 L315 N318 Y323 I516 R519Q143-L320 HydrophobicContact CG-CD2 4.23Å; M147-L320 HydrophobicContact SD-CD1 3.85Å; L315-L320 HydrophobicContact CB-CB 4.35Å; L315-L320 HydrophobicContact CD2-CB 4.16Å; L315-L320 HydrophobicContact CD2-CD1 3.64Å; L315-L320 WeakPolarHBondContact O-CB 3.35Å; L315-L320 PolarHBondContact O-N 2.79Å; N318-L320 VanDerWaalsContact C-N 3.26Å; N318-L320 HydrophobicContact CB-CD1 3.78Å; N318-L320 HydrophobicContact CB-CG 3.85Å; N318-L320 PolarHBondContact O-N 3.46Å; L320-Y323 WeakPolarHBondContact O-CE1 3.41Å; L320-I516 WeakPolarHBondContact CD1-O 3.36Å; L320-I516 WeakPolarHBondContact CD2-O 3.45Å; L320-R519 HydrophobicContact CD2-CB 4.49Å
321I88.4Confident92.3Very high4 Ų421.9 Ų21.92%0.02111%0.108CC..  trans-140.8-179.9-179.760.1152.5000110.7Y323 T518 Y520 K524 P544I321-Y323 PolarHBondContact O-N 2.98Å; I321-T518 HydrophobicContact CG1-CG2 4.29Å; I321-T518 PolarHBondContact N-O 3.09Å; I321-T518 WeakPolarHBondContact O-CB 3.19Å; I321-Y520 HydrophobicContact CD1-CD2 3.72Å; I321-Y520 HydrophobicContact CG1-CD2 4.33Å; I321-Y520 HydrophobicContact CG2-CD2 4.35Å; I321-K524 HydrophobicContact CD1-CB 4.37Å; I321-K524 HydrophobicContact CD1-CD 3.9Å; I321-K524 HydrophobicContact CD1-CG 3.97Å; I321-P544 HydrophobicContact CG2-CB 4.01Å; I321-P544 HydrophobicContact CG2-CG 3.8Å
322D84.7Confident91.9Very high33 Ų3323.6 Ų23.618%0.17612%0.119CC..SBendtrans60.512.1175.4-69.6-24.5000115.5K202 T518 K524 Y547K202-D322 VanDerWaalsContact CE-O 3.3Å; K202-D322 WeakPolarHBondContact CE-O 3.18Å; K202-D322 PolarHBondContact NZ-O 3.08Å; D322-T518 HydrophobicContact CB-CG2 4.17Å; D322-K524 VanDerWaalsContact OD2-CE 3.31Å; D322-K524 WeakPolarHBondContact OD2-CE 3.2Å; D322-K524 IonicContact OD2-NZ 2.71Å; D322-K524 PolarHBondContact OD2-NZ 2.73Å; D322-Y547 WeakPolarHBondContact CA-OH 3.25Å
323Y91.6Very high91.5Very high0 Ų028.7 Ų28.70%014%0.143CC..  trans-70148.917051.3-96.8000111.6L315 L320 I321 I513 I514 Y547 G548 L551L315-Y323 HydrophobicContact CB-CD1 4.47Å; L315-Y323 HydrophobicContact CB-CE1 3.85Å; L315-Y323 HydrophobicContact CD1-CD1 3.81Å; L315-Y323 HydrophobicContact CD1-CD2 3.91Å; L315-Y323 HydrophobicContact CD1-CE1 3.71Å; L315-Y323 HydrophobicContact CD1-CE2 3.83Å; L315-Y323 HydrophobicContact CD1-CG 3.9Å; L315-Y323 HydrophobicContact CG-CE1 4.33Å; L320-Y323 WeakPolarHBondContact O-CE1 3.41Å; I321-Y323 PolarHBondContact O-N 2.98Å; Y323-I513 HydrophobicContact CD2-CG2 4.05Å; Y323-I513 HydrophobicContact CG-CG2 4.26Å; Y323-I514 VanDerWaalsContact CA-O 3.3Å; Y323-I514 WeakPolarHBondContact CA-O 3.34Å; Y323-I514 WeakPolarHBondContact CB-O 3.49Å; Y323-Y547 HydrophobicContact CD1-CD1 4.26Å; Y323-Y547 AromaticContact CD1-CE1 3.89Å; Y323-Y547 HydrophobicContact CD1-CE1 3.89Å; Y323-Y547 HydrophobicContact CD2-CD1 4.42Å; Y323-Y547 AromaticContact CD2-CE1 3.71Å; Y323-Y547 HydrophobicContact CD2-CE1 3.71Å; Y323-Y547 AromaticContact CE1-CD1 3.67Å; Y323-Y547 HydrophobicContact CE1-CD1 3.67Å; Y323-Y547 AromaticContact CE1-CE1 3.75Å; Y323-Y547 HydrophobicContact CE1-CE1 3.75Å; Y323-Y547 AromaticContact CE2-CD1 3.83Å; Y323-Y547 HydrophobicContact CE2-CD1 3.83Å; Y323-Y547 AromaticContact CE2-CE1 3.55Å; Y323-Y547 HydrophobicContact CE2-CE1 3.55Å; Y323-Y547 AromaticContact CG-CE1 3.88Å; Y323-Y547 HydrophobicContact CG-CE1 3.88Å; Y323-Y547 AromaticContact CZ-CD1 3.43Å; Y323-Y547 VanDerWaalsContact CZ-CD1 3.43Å; Y323-Y547 AromaticContact CZ-CE1 3.59Å; Y323-Y547 PolarHBondContact N-OH 3.04Å; Y323-Y547 PolarHBondContact O-OH 3.33Å; Y323-G548 WeakPolarHBondContact OH-CA 3.23Å; Y323-L551 HydrophobicContact CD2-CD2 3.87Å; Y323-L551 HydrophobicContact CE2-CD2 3.63Å
324S90.6Very high91.1Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-111.5159.1174.9-51.70000111.5D200 L201 K202 I513 I514D200-S324 WeakPolarHBondContact OD1-CB 3.38Å; D200-S324 PolarHBondContact OD1-OG 2.98Å; L201-S324 CarbonylContact O-C 3.55Å; L201-S324 VanDerWaalsContact O-CA 3.25Å; L201-S324 WeakPolarHBondContact O-CA 3.38Å; L201-S324 WeakPolarHBondContact O-CB 3.31Å; K202-S324 WeakPolarHBondContact CE-OG 3.34Å; K202-S324 WeakPolarHBondContact CG-OG 3.44Å; S324-I513 CarbonylContact O-C 3.48Å; S324-I513 VanDerWaalsContact O-CA 3.3Å; S324-I513 WeakPolarHBondContact O-CA 3.46Å; S324-I514 PolarHBondContact N-O 3.04Å; S324-I514 PolarHBondContact O-N 2.9Å
325L93.3Very high90.7Very high1 Ų128.1 Ų28.11%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-93.6115.1157.9-163.774.6000109.1L201 L308 I327 V511 I513 L551 V555L201-L325 HydrophobicContact CB-CB 4.36Å; L201-L325 PolarHBondContact N-O 3.17Å; L201-L325 PolarHBondContact O-N 2.88Å; L308-L325 HydrophobicContact CD1-CD1 4.25Å; L325-I327 HydrophobicContact CD2-CD1 4.23Å; L325-I327 HydrophobicContact CD2-CG1 4.33Å; L325-I327 HydrophobicContact CG-CG1 4.41Å; L325-V511 HydrophobicContact CD1-CG1 3.75Å; L325-V511 HydrophobicContact CD2-CG1 3.85Å; L325-V511 HydrophobicContact CG-CG1 3.89Å; L325-I513 HydrophobicContact CD1-CG1 3.98Å; L325-L551 HydrophobicContact CB-CD1 4.3Å; L325-V555 HydrophobicContact CD2-CG1 4.24Å; L325-V555 HydrophobicContact CD2-CG2 3.48Å; L325-V555 VanDerWaalsContact CD2-CG2 3.48Å
326L93.7Very high90.2Very high4 Ų432.9 Ų32.92%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-85.8126.6172.5-177.862.3000109.1V188 F189 K198 Y199 V511 A512 I514V188-L326 HydrophobicContact CB-CD2 4.16Å; V188-L326 HydrophobicContact CG1-CD2 4.12Å; V188-L326 HydrophobicContact CG2-CD2 4.23Å; F189-L326 HydrophobicContact CE1-CD2 4.2Å; F189-L326 HydrophobicContact CE1-CG 4.22Å; F189-L326 HydrophobicContact CE2-CD2 4.23Å; F189-L326 HydrophobicContact CZ-CD1 4.03Å; F189-L326 HydrophobicContact CZ-CD2 3.66Å; F189-L326 HydrophobicContact CZ-CG 3.83Å; K198-L326 HydrophobicContact CD-CD1 4.35Å; K198-L326 HydrophobicContact CG-CD1 3.93Å; Y199-L326 WeakPolarHBondContact O-CA 3.27Å; L326-V511 WeakPolarHBondContact O-CA 3.47Å; L326-A512 PolarHBondContact N-O 3.43Å; L326-A512 PolarHBondContact O-N 2.91Å; L326-I514 HydrophobicContact CB-CD1 3.97Å; L326-I514 HydrophobicContact CB-CG1 4.16Å; L326-I514 HydrophobicContact CB-CG2 3.84Å; L326-I514 HydrophobicContact CD2-CD1 4.46Å; L326-I514 HydrophobicContact CD2-CG2 4.03Å
327I92.9Very high89.9Confident2 Ų233.1 Ų33.11%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-121121.1175.4-54.4-173.4000109.3K198 Y199 L201 M294 L325 V329 F510 V511K198-I327 CarbonylContact C-O 3.54Å; K198-I327 VanDerWaalsContact CA-O 3.31Å; K198-I327 WeakPolarHBondContact CA-O 3.38Å; Y199-I327 HydrophobicContact CD2-CB 4.43Å; Y199-I327 HydrophobicContact CD2-CG2 4.48Å; Y199-I327 PolarHBondContact N-O 3.04Å; Y199-I327 PolarHBondContact O-N 2.73Å; L201-I327 HydrophobicContact CD1-CD1 3.41Å; L201-I327 VanDerWaalsContact CD1-CD1 3.41Å; L201-I327 HydrophobicContact CD1-CG1 4.06Å; M294-I327 HydrophobicContact CE-CD1 4.43Å; M294-I327 HydrophobicContact CE-CG2 4.31Å; M294-I327 HydrophobicContact SD-CD1 3.71Å; L325-I327 HydrophobicContact CD2-CD1 4.23Å; L325-I327 HydrophobicContact CD2-CG1 4.33Å; L325-I327 HydrophobicContact CG-CG1 4.41Å; I327-V329 HydrophobicContact CG2-CG2 4.42Å; I327-F510 CarbonylContact C-O 3.6Å; I327-F510 VanDerWaalsContact CA-O 3.27Å; I327-F510 WeakPolarHBondContact CA-O 3.35Å; I327-V511 HydrophobicContact CG1-CG2 4.5Å
328G93Very high89.3Confident0 Ų028.3 Ų28.30%016%0.159CC..EExtended strand (participates in β ladder)trans-105.2139.4166.700000110.3K197 Y509 F510K197-G328 CarbonylContact O-C 3.5Å; K197-G328 WeakPolarHBondContact O-CA 3.27Å; G328-Y509 CarbonylContact O-C 3.51Å; G328-Y509 WeakPolarHBondContact O-CA 3.39Å; G328-F510 PolarHBondContact N-O 2.96Å; G328-F510 PolarHBondContact O-N 3.38Å
329V92.5Very high88.6Confident10 Ų1030.9 Ų30.96%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-116.9120.2174.9-171.50000108.5H196 K197 Y199 I327 L507 Y509H196-V329 PolarHBondContact N-O 3.48Å; K197-V329 HydrophobicContact CB-CB 4.06Å; K197-V329 HydrophobicContact CB-CG2 4.18Å; K197-V329 PolarHBondContact N-O 3.26Å; K197-V329 PolarHBondContact O-N 3.36Å; Y199-V329 HydrophobicContact CE2-CG2 4.17Å; I327-V329 HydrophobicContact CG2-CG2 4.42Å; V329-L507 HydrophobicContact CG1-CB 4.45Å; V329-L507 HydrophobicContact CG1-CD1 4.14Å; V329-L507 HydrophobicContact CG1-CD2 4.19Å; V329-Y509 HydrophobicContact CG1-CD1 4.43Å; V329-Y509 HydrophobicContact CG1-CE1 4.34Å; V329-Y509 HydrophobicContact CG2-CD1 4.14Å; V329-Y509 HydrophobicContact CG2-CE1 4.41Å
330H92.1Very high88Confident6 Ų633.4 Ų33.43%0.02819%0.192CC..EExtended strand (participates in β ladder)trans-99.3138.6166.2171.778.1000109.3L193 A194 H196 I508 F510L193-H330 HydrophobicContact CB-CB 4.42Å; A194-H330 WeakPolarHBondContact O-CB 3.26Å; A194-H330 PolarHBondContact O-ND1 3.14Å; H196-H330 AromaticContact CE1-ND1 3.68Å; H330-I508 HydrophobicContact CB-CB 4.17Å; H330-I508 PolarHBondContact N-O 3.04Å; H330-I508 PolarHBondContact O-N 3.35Å; H330-F510 HydrophobicContact CB-CE2 4.23Å
331D90.9Very high87.3Confident28 Ų2840.8 Ų40.815%0.1523%0.226CC..  trans-123.4103.4-177.8-174-36.4000106.5H196 E333 I334 A335 L507H196-D331 PolarHBondContact CE1-N 2.88Å; H196-D331 PolarHBondContact CE1-O 2.92Å; H196-D331 WeakPolarHBondContact ND1-CB 3.36Å; H196-D331 PolarHBondContact ND1-N 3.41Å; H196-D331 PolarHBondContact ND1-O 2.74Å; D331-E333 PolarHBondContact O-N 3.12Å; D331-E333 WeakPolarHBondContact OD1-CB 3.43Å; D331-E333 PolarHBondContact OD1-N 2.81Å; D331-I334 HydrophobicContact CB-CB 4.16Å; D331-I334 HydrophobicContact CB-CD1 3.93Å; D331-I334 HydrophobicContact CB-CG1 4.1Å; D331-I334 PolarHBondContact O-N 3.4Å; D331-I334 PolarHBondContact OD1-N 3.05Å; D331-I334 WeakPolarHBondContact OD2-CD1 3.14Å; D331-A335 WeakPolarHBondContact O-CB 3.42Å; D331-A335 PolarHBondContact O-N 3.44Å; D331-L507 HydrophobicContact CB-CD2 3.82Å
332P88.1Confident86.1Confident36 Ų3646.9 Ų46.923%0.23426%0.259CS..Hα-helixtrans-59.2-31.6-178-24.134.7000113.4A335 L336 P506P332-A335 PolarHBondContact O-N 3.37Å; P332-L336 WeakPolarHBondContact O-CB 3.49Å; P332-L336 PolarHBondContact O-N 3.45Å; P332-P506 WeakPolarHBondContact CD-O 3.26Å
333E86.8Confident84.9Confident111 Ų11148.8 Ų48.852%0.51928%0.279SS..Hα-helixtrans-71.1-45.2-177.8-63.1-176.7177.600110.8D331 A335 L336 A337D331-E333 PolarHBondContact O-N 3.12Å; D331-E333 WeakPolarHBondContact OD1-CB 3.43Å; D331-E333 PolarHBondContact OD1-N 2.81Å; E333-A335 VanDerWaalsContact C-N 3.34Å; E333-A335 PolarHBondContact O-N 3.21Å; E333-L336 PolarHBondContact O-N 2.85Å; E333-A337 PolarHBondContact O-N 2.87Å
334I87.3Confident83.1Confident85 Ų8551.8 Ų51.844%0.43631%0.311SS..Hα-helixtrans-63.3-42.4174.5-61.8176.6000110.6D331 L336 A337 S338D331-I334 HydrophobicContact CB-CB 4.16Å; D331-I334 HydrophobicContact CB-CD1 3.93Å; D331-I334 HydrophobicContact CB-CG1 4.1Å; D331-I334 PolarHBondContact O-N 3.4Å; D331-I334 PolarHBondContact OD1-N 3.05Å; D331-I334 WeakPolarHBondContact OD2-CD1 3.14Å; I334-L336 VanDerWaalsContact C-N 3.34Å; I334-L336 PolarHBondContact O-N 3.11Å; I334-A337 PolarHBondContact O-N 3.05Å; I334-S338 WeakPolarHBondContact O-CB 3.18Å; I334-S338 PolarHBondContact O-N 3.21Å; I334-S338 PolarHBondContact O-OG 2.93Å
335A85.8Confident81.3Confident17 Ų1759 Ų5914%0.1435%0.349CS..Hα-helixtrans-61.7-42.9178.700000111.9D331 P332 E333 S338 S339D331-A335 WeakPolarHBondContact O-CB 3.42Å; D331-A335 PolarHBondContact O-N 3.44Å; P332-A335 PolarHBondContact O-N 3.37Å; E333-A335 VanDerWaalsContact C-N 3.34Å; E333-A335 PolarHBondContact O-N 3.21Å; A335-S338 PolarHBondContact O-N 3.26Å; A335-S338 PolarHBondContact O-OG 3.18Å; A335-S339 PolarHBondContact O-N 3.01Å; A335-S339 VanDerWaalsContact O-N 3.11Å; A335-S339 PolarHBondContact O-OG 2.96Å
336L85.2Confident79.3Confident99 Ų9966 Ų6652%0.51839%0.387SS..Hα-helixtrans-64.5-45.7177.6-177.361.6000111.5P332 E333 I334 S338 S339 L340P332-L336 WeakPolarHBondContact O-CB 3.49Å; P332-L336 PolarHBondContact O-N 3.45Å; E333-L336 PolarHBondContact O-N 2.85Å; I334-L336 VanDerWaalsContact C-N 3.34Å; I334-L336 PolarHBondContact O-N 3.11Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.24Å; L336-S339 WeakPolarHBondContact O-CB 3.45Å; L336-S339 PolarHBondContact O-N 3.21Å; L336-S339 VanDerWaalsContact O-N 3.11Å; L336-L340 HydrophobicContact CG-CD1 4.49Å; L336-L340 PolarHBondContact O-N 3.05Å
337A85.7Confident76.9Confident47 Ų4769.2 Ų69.239%0.38842%0.42SS..Hα-helixtrans-57.4-46.5176.300000111.5E333 I334 S339 L340 E341E333-A337 PolarHBondContact O-N 2.87Å; I334-A337 PolarHBondContact O-N 3.05Å; A337-S339 PolarHBondContact O-N 3.28Å; A337-L340 PolarHBondContact O-N 3.14Å; A337-E341 PolarHBondContact O-N 3.05Å
338S80Confident74.4Confident25 Ų2577.8 Ų77.818%0.17546%0.46CS..Hα-helixtrans-65.4-23.3178.575.20000114.2I334 A335 L336I334-S338 WeakPolarHBondContact O-CB 3.18Å; I334-S338 PolarHBondContact O-N 3.21Å; I334-S338 PolarHBondContact O-OG 2.93Å; A335-S338 PolarHBondContact O-N 3.26Å; A335-S338 PolarHBondContact O-OG 3.18Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.24Å
339S76.4Confident71.7Confident75 Ų7581.9 Ų81.952%0.52450%0.502SS..Hα-helixtrans-82-26.9178-54.90000112.2A335 L336 A337A335-S339 PolarHBondContact O-N 3.01Å; A335-S339 VanDerWaalsContact O-N 3.11Å; A335-S339 PolarHBondContact O-OG 2.96Å; L336-S339 WeakPolarHBondContact O-CB 3.45Å; L336-S339 PolarHBondContact O-N 3.21Å; L336-S339 VanDerWaalsContact O-N 3.11Å; A337-S339 PolarHBondContact O-N 3.28Å
340L78.5Confident69.4Low118 Ų11886.8 Ų86.862%0.61853%0.532SS*.Hα-helixtrans-79.6-35.4177.2-68.9169.8000112L336 A337 A343L336-L340 HydrophobicContact CG-CD1 4.49Å; L336-L340 PolarHBondContact O-N 3.05Å; A337-L340 PolarHBondContact O-N 3.14Å; L340-A343 PolarHBondContact O-N 3.25Å
341E75.2Confident66.7Low155 Ų15590.7 Ų90.772%0.72457%0.574SS**Hα-helixtrans-64.9-38.7176.7-70177.3178.100112A337 A343 G344A337-E341 PolarHBondContact O-N 3.05Å; E341-A343 VanDerWaalsContact C-N 3.26Å; E341-A343 PolarHBondContact O-N 3.25Å; E341-G344 PolarHBondContact O-N 2.75Å
342D63.1Low64.2Low132 Ų13293.2 Ų93.271%0.70661%0.606SS**THydrogen-bonded Turntrans-72-19.8-179-145.727000112.9
343A60.2Low61.8Low73 Ų7396.7 Ų96.760%0.60364%0.638SS**THydrogen-bonded Turntrans-90.3-6.9177.700000113.6L340 E341L340-A343 PolarHBondContact O-N 3.25Å; E341-A343 VanDerWaalsContact C-N 3.26Å; E341-A343 PolarHBondContact O-N 3.25Å
344G53.5Low59.5Low64 Ų6497.2 Ų97.266%0.6665%0.654SS**SBendtrans-96.7-5.3-17000000116.5E341E341-G344 PolarHBondContact O-N 2.75Å
345D53.3Low57.4Low150 Ų150100.1 Ų100.180%0.80268%0.676SS**  trans-91.76.9-174-159.135.8000114G347D345-G347 PolarHBondContact O-N 2.86Å
346D51.9Low55.1Low150 Ų150103.1 Ų103.180%0.80271%0.708SS**SBendtrans-98.470.1-178.5-61.7-24.1000112.4
347G42.2Very low52.8Low70 Ų70101.5 Ų101.572%0.72272%0.715SS**  trans107.497.4152.800000118.4D345D345-G347 PolarHBondContact O-N 2.86Å
348E40.9Very low50.5Low183 Ų183105.2 Ų105.286%0.85574%0.737SS**  trans-136.777.9150.3-137.2-178.9176.400110
349G35.8Very low48.5Very low85 Ų85110.7 Ų110.788%0.87677%0.769SS**  trans-95.280.6168.100000110.2
350T44.7Very low46.6Very low114 Ų114110.9 Ų110.970%0.69978%0.783SS**  trans-121.1112.717842.40000112
351G35.6Very low44.7Very low88 Ų88110.4 Ų110.491%0.90780%0.796SS**  trans57.7101.9135.100000119.6
352G37.9Very low42.7Very low80 Ų80106.4 Ų106.483%0.82580%0.796SS**  trans-156.278.5162.800000111.9
353A37.4Very low41.6Very low109 Ų109107.5 Ų107.590%0.90181%0.807SS**  trans-66.9127.1172.400000111.1
354S39.2Very low40.4Very low122 Ų122107.9 Ų107.985%0.85382%0.818SS**  trans-157.4149.7151.9-167.30000111.2
355V44.1Very low39.5Very low147 Ų147108.6 Ų108.689%0.89183%0.826SS**  trans-105.2143.1-149.3178.50000110.8
356G37.1Very low38.6Very low79 Ų79105.6 Ų105.681%0.81483%0.831SS**  trans128.7122.2165.100000111.7
357G35.2Very low37.7Very low65 Ų65102.5 Ų102.567%0.6783%0.834SS**  cis147.2121.110.200000107.3
358C38.6Very low37.3Very low125 Ų125103.4 Ų103.485%0.84584%0.844SS**  trans61.6145.2157.579.90000119.5
359V38.6Very low37Very low140 Ų14098.6 Ų98.685%0.84884%0.843SS**  cis-170140-5.7-105.80000108.7
360G34.9Very low37Very low80 Ų80100 Ų10083%0.82584%0.84SS**  trans91.8152.914000000119.1
361A38.6Very low36.6Very low107 Ų107102.8 Ų102.888%0.88485%0.85SS**  cis179.1147-25.700000106.4
362G34.3Very low36.5Very low71 Ų71104.6 Ų104.673%0.73285%0.849SS**  trans109102.116600000113.5
363V39.2Very low36.3Very low155 Ų155103.7 Ų103.794%0.93984%0.839SS**  cis77.1117.548-173.80000114.4
364G35.1Very low36.1Very low81 Ų81105.4 Ų105.484%0.83584%0.838SS**  trans109.1125.8159.300000113.5
365G35Very low35.8Very low80 Ų80107.7 Ų107.783%0.82584%0.84SS**  cis145.7127.57.500000109.1
366G33.9Very low35.3Very low87 Ų87109.4 Ų109.490%0.89784%0.839SS**  trans96.6121.4147.800000119.8
367G33.2Very low35.2Very low84 Ų84111.6 Ų111.687%0.86684%0.838SS**  126.392.7122.900000119.4
368G33.2Very low34.9Very low90 Ų90112.3 Ų112.393%0.92883%0.827SS**  100129.7123.400000119.8
369G34.5Very low34.6Very low82 Ų82111.6 Ų111.685%0.84582%0.823SS**  trans129.687.9142.700000117.3
370S35.7Very low34.2Very low115 Ų115113.3 Ų113.380%0.80481%0.814SS**  trans-62.7146.6176.4-410000115.3
371N36.3Very low33.8Very low171 Ų171112.9 Ų112.991%0.91481%0.81SS**  -161.1137.5130-101.2-18000112.7
372S34.1Very low33.4Very low126 Ų126117.5 Ų117.588%0.88181%0.811SS**  trans-71.1128.8-161.7-172.20000114.5
373G33.3Very low33.3Very low61 Ų61121 Ų12163%0.62981%0.813SS**  trans-141.6119.3170.900000109.8L375G373-L375 PolarHBondContact O-N 3.45Å
374V33.3Very low32.8Very low145 Ų145120 Ų12088%0.87980%0.802SS**  trans-67119.4-176.9177.10000109.8
375L33.5Very low32.8Very low170 Ų170123.6 Ų123.689%0.8979%0.791SS**  trans-122.7123.6177.3-77.1167000110G373G373-L375 PolarHBondContact O-N 3.45Å
376E33.9Very low32.7Very low184 Ų184122.7 Ų122.786%0.8677%0.765SS**PPolyproline II helixtrans-75.5151.2172.3-69.8-160.2120.500111.8
377P34.1Very low32.7Very low124 Ų124120.2 Ų120.281%0.80573%0.733SS**PPolyproline II helixtrans-84.2138.8-176.533.1-31.3000112.9S379P377-S379 PolarHBondContact O-N 3Å
378N29.3Very low32.9Very low81 Ų81116.4 Ų116.443%0.43369%0.693SS.*PPolyproline II helixtrans-56117.9173.6-78.3-49.1000113.5L414 G415N378-L414 HydrophobicContact CB-CD2 4.04Å; N378-L414 WeakPolarHBondContact ND2-CA 3.49Å; N378-G415 PolarHBondContact ND2-N 3.5Å; N378-G415 PolarHBondContact ND2-O 2.92Å
379S32.8Very low33Very low110 Ų110112.7 Ų112.777%0.76965%0.653SS**PPolyproline II helixtrans-84.7116.2156.235.50000109.6P377P377-S379 PolarHBondContact O-N 3Å
380R30.4Very low32.9Very low175 Ų175109 Ų10966%0.6662%0.616SS**PPolyproline II helixtrans-55.3137.6171.6-87.1-175.7170.6145.7-2.8110L416R380-L416 VanDerWaalsContact CD-CD2 3.5Å; R380-L416 HydrophobicContact CG-CD2 3.83Å; R380-L416 HydrophobicContact CG-CG 4.25Å; R380-L416 VanDerWaalsContact CZ-CG 3.5Å; R380-L416 VanDerWaalsContact NE-CD1 3.3Å
381G26.6Very low32.9Very low72 Ų72105.2 Ų105.274%0.74259%0.587SS**PPolyproline II helixtrans-65.7140.9-17200000113.8
382F29.2Very low32.7Very low203 Ų20397.9 Ų97.989%0.8955%0.551SS**PPolyproline II helixtrans-87.9118.8156.7-148.5-91.8000105.8
383D31.9Very low32.4Very low146 Ų14695 Ų9578%0.78153%0.526SS*.PPolyproline II helixtrans-61.8139.4-172.1-99.9-48.1000112.9R385D383-R385 VanDerWaalsContact C-N 3.29Å; D383-R385 PolarHBondContact O-N 2.95Å
384D30.2Very low32.2Very low132 Ų13295.1 Ų95.171%0.70653%0.526SS*.  trans-75.967.5-165.8-143.6-11000110.5M386D384-M386 VanDerWaalsContact C-N 3.35Å; D384-M386 PolarHBondContact O-N 3.38Å
385R34.3Very low31.8Very low158 Ų15893.3 Ų93.360%0.59652%0.521SS*.  trans-79.788.2170.2-75.7-174.1177.4163.82.3109.9R129 D383R129-R385 PolarHBondContact NH1-O 3.4Å; R129-R385 PolarHBondContact NH2-O 3.47Å; D383-R385 VanDerWaalsContact C-N 3.29Å; D383-R385 PolarHBondContact O-N 2.95Å
386M32Very low31.5Very low60 Ų6093.3 Ų93.330%0.29652%0.521SS..  trans-45.4125174.8-62179.8107.900112.3P278 D384P278-M386 HydrophobicContact CG-CG 4.46Å; P278-M386 HydrophobicContact CG-SD 3.64Å; D384-M386 VanDerWaalsContact C-N 3.35Å; D384-M386 PolarHBondContact O-N 3.38Å
387V35.5Very low31.1Very low36 Ų3689.5 Ų89.522%0.21851%0.514CS..  trans-126.1108.1168175.90000107.9R129 F189R129-V387 VanDerWaalsContact NH1-CG2 3.29Å; F189-V387 HydrophobicContact CB-CG1 4.45Å; F189-V387 HydrophobicContact CD2-CG1 3.65Å; F189-V387 HydrophobicContact CE2-CG1 4.42Å; F189-V387 HydrophobicContact CG-CG1 4.48Å
388S35.7Very low30.7Very low3 Ų389.2 Ų89.22%0.02152%0.515CS..PPolyproline II helixtrans-86.6119.2-171.2176.40000111.8D113 T115 K198D113-S388 WeakPolarHBondContact OD2-CA 3.39Å; T115-S388 VanDerWaalsContact CG2-OG 3.32Å; T115-S388 WeakPolarHBondContact CG2-OG 3.1Å; T115-S388 PolarHBondContact OG1-OG 2.94Å; K198-S388 VanDerWaalsContact CE-O 3.22Å; K198-S388 WeakPolarHBondContact CE-O 3.46Å; K198-S388 VanDerWaalsContact NZ-CB 3.3Å; K198-S388 PolarHBondContact NZ-O 3.08Å; K198-S388 PolarHBondContact NZ-OG 3.19Å
389A36Very low30.5Very low12 Ų1293.6 Ų93.610%0.09953%0.533CS..PPolyproline II helixtrans-66.8141.7164.700000110.1D113 F123 V132 K198D113-A389 PolarHBondContact OD2-N 2.75Å; F123-A389 HydrophobicContact CB-CB 4.2Å; F123-A389 HydrophobicContact CD1-CB 3.67Å; F123-A389 HydrophobicContact CD2-CB 4.03Å; F123-A389 HydrophobicContact CE1-CB 3.89Å; F123-A389 HydrophobicContact CE2-CB 4.27Å; F123-A389 HydrophobicContact CG-CB 3.72Å; F123-A389 HydrophobicContact CZ-CB 4.19Å; V132-A389 HydrophobicContact CG1-CB 4.17Å; K198-A389 PolarHBondContact NZ-O 3.01Å
390G31.8Very low30Very low6 Ų699.3 Ų99.36%0.06254%0.538CS..PPolyproline II helixtrans-61.4141.2-172.200000114.9F123F123-G390 WeakPolarHBondContact CZ-O 3.47Å
391D36Very low29.9Very low35 Ų35100.2 Ų100.219%0.18755%0.55CS..  trans-111.498.5179.8-85.4-36.7000110.1G117 L393G117-D391 VanDerWaalsContact CA-OD1 3.28Å; G117-D391 WeakPolarHBondContact CA-OD1 3.06Å; G117-D391 WeakPolarHBondContact CA-OD2 3.38Å; D391-L393 PolarHBondContact O-N 2.85Å
392G32.3Very low29.6Very low17 Ų17102.9 Ų102.918%0.17556%0.555CS.*  trans-76.7112.9174.300000112.8K202 D515K202-G392 VanDerWaalsContact NZ-C 3.35Å; G392-D515 WeakPolarHBondContact CA-OD2 3.37Å; G392-D515 PolarHBondContact N-OD2 2.89Å
393L28.4Very low29.5Very low66 Ų6696.9 Ų96.935%0.34655%0.55SS.*  trans-68.5129.3178.5-67.9167.7000113.7K118 K202 K283 D391K118-L393 HydrophobicContact CD-CD2 3.9Å; K202-L393 PolarHBondContact NZ-O 3.27Å; K283-L393 HydrophobicContact CD-CD1 4.31Å; D391-L393 PolarHBondContact O-N 2.85Å
394G28.1Very low29.1Very low62 Ų62100.9 Ų100.964%0.63956%0.555SS**  trans-126.1126.216400000110.8
395S25.5Very low29Very low108 Ų108102.3 Ų102.376%0.75556%0.562SS**  trans-87.8130-178171.40000111.8
396L27.6Very low28.6Very low170 Ų170100.2 Ų100.289%0.8957%0.571SS**  trans-149.7120.5152.2-98165000109.4
397S24.5Very low28.3Very low104 Ų104106 Ų10673%0.72760%0.599SS**  trans-80.6136.4173.966.90000111
398S27.3Very low28Very low117 Ų117109.3 Ų109.382%0.81863%0.631SS**  trans-163.7103.7149.6-78.10000111.8
399Q25.1Very low27.4Very low174 Ų174120 Ų12081%0.81367%0.67SS**  48.7105.7124.9-135.1161.8-4.700120.7
400W22Very low27.1Very low230 Ų230124.6 Ų124.687%0.87170%0.702SS**  trans36.4141.1146.2-44.675.7000120.5
401Q27Very low26.9Very low194 Ų194129.1 Ų129.191%0.90773%0.733SS**  cis-157.7166.948.8-81.7178-13.500112.3
402C21.5Very low26.6Very low127 Ų127134.9 Ų134.986%0.85876%0.762SS**  trans-86.6151.8-167.9-168.60000115
403G27.3Very low26.5Very low77 Ų77140.3 Ų140.379%0.79479%0.791SS**  trans-161.9120.8162.600000112.4
404R22.3Very low26.4Very low231 Ų231142.7 Ų142.787%0.87280%0.804SS**  trans-81.8158.9-174.8-78.4178.7179-164.1-1.1114
405L28.3Very low26.5Very low162 Ų162141.6 Ų141.685%0.84879%0.793SS**  trans150.5105.6132.4-79161.8000109.2
406S27.6Very low26.7Very low114 Ų114140.5 Ų140.580%0.79778%0.778SS**  101.2123.874.977.90000113.3
407M23.9Very low27Very low180 Ų180137.3 Ų137.389%0.88777%0.77SS**  trans-79.4160.5-174.7-72.6-168.5-96.600115.3
408A29.1Very low27.6Very low106 Ų106138 Ų13888%0.87678%0.775SS**  trans-150.9145.6140.900000111.8
409R24.6Very low27.9Very low227 Ų227137.7 Ų137.786%0.85777%0.773SS**  trans-112.8161-167.9-62.1166.275.9179.34.3111.7
410S29.4Very low28.3Very low109 Ų109133.8 Ų133.876%0.76277%0.77SS**  trans165.4115.6136.2-71.80000109.4
411S26.9Very low28.7Very low101 Ų101125.1 Ų125.171%0.70675%0.748SS**  59.8141.775.470.30000116.1
412I29.2Very low29Very low156 Ų156120.1 Ų120.180%0.873%0.73SS**  cis-175.7158.2-10.8-106.2159.5000105.7
413V30Very low29.3Very low131 Ų131122 Ų12279%0.79473%0.727SS**  trans139.3127.8138.4-175.20000115
414L27.6Very low29.4Very low116 Ų116122.4 Ų122.461%0.60772%0.722SS**  trans-93164.4-176.9-72.3159.8000114.9N378N378-L414 HydrophobicContact CB-CD2 4.04Å; N378-L414 WeakPolarHBondContact ND2-CA 3.49Å
415G30.1Very low29.9Very low40 Ų40116.3 Ų116.341%0.41272%0.721SS.*  trans155.1155.915800000112.8N378N378-G415 PolarHBondContact ND2-N 3.5Å; N378-G415 PolarHBondContact ND2-O 2.92Å
416L30.1Very low30Very low84 Ų84113.4 Ų113.444%0.4471%0.714SS.*  cis-171.8138.2-49.6-113.6159.6000111.7R380R380-L416 VanDerWaalsContact CD-CD2 3.5Å; R380-L416 HydrophobicContact CG-CD2 3.83Å; R380-L416 HydrophobicContact CG-CG 4.25Å; R380-L416 VanDerWaalsContact CZ-CG 3.5Å; R380-L416 VanDerWaalsContact NE-CD1 3.3Å
417S34.3Very low30.1Very low103 Ų103114.2 Ų114.272%0.7272%0.719SS**  trans116.7125134.874.10000120.4
418S35.3Very low30.5Very low118 Ų118108.8 Ų108.883%0.82571%0.708SS**  trans71.8146.7134.2-162.80000121.5
419S33.5Very low30.9Very low111 Ų111111.3 Ų111.378%0.77671%0.712SS**  cis177.7162.5-30.2-168.30000107
420A33.9Very low31.2Very low93 Ų93103.9 Ų103.977%0.76971%0.707SS**  trans83.9145.3159.800000119.9
421A31.4Very low31.3Very low48 Ų48102 Ų10240%0.39771%0.705SS.*  cis-179.2152-2200000108.9
422V31.9Very low31.5Very low88 Ų88104.7 Ų104.753%0.53372%0.716SS.*  trans62.2149.9146.1-69.20000120.3P475V422-P475 HydrophobicContact CB-CG 4.46Å; V422-P475 HydrophobicContact CG1-CG 3.69Å
423E29.2Very low31.6Very low168 Ų168100.1 Ų100.179%0.78571%0.708SS**  cis-166.4135.73.4-120.2-164.3129.800106.1
424A29.5Very low31.7Very low84 Ų84100.9 Ų100.969%0.69471%0.712SS**  85.9150.595.800000118.4
425A31.7Very low31.9Very low103 Ų10399 Ų9985%0.85172%0.721SS**  trans85.2143.1170.300000118.3
426S31.7Very low31.9Very low101 Ų101106.4 Ų106.471%0.70674%0.742SS**  cis173.8150.2-17.1167.60000107
427C28.6Very low32Very low132 Ų132104.6 Ų104.689%0.89274%0.744SS**  trans82.7140.2151-88.50000123.4
428G32.8Very low31.9Very low65 Ų65106.7 Ų106.767%0.6775%0.753SS**  trans11886.5147.300000115.3
429V36.6Very low31.8Very low159 Ų159104.4 Ų104.496%0.96475%0.748SS**  57.8126.893-173.50000112.3
430G30.7Very low31.8Very low71 Ų71107.7 Ų107.773%0.73276%0.757SS**  cis169.8-169.71300000108.9
431G31.6Very low31.8Very low70 Ų70107.6 Ų107.672%0.72276%0.756SS**  trans94.892.516200000115.5
432V31.5Very low31.9Very low157 Ų157111.2 Ų111.295%0.95278%0.779SS**  77.2123.177.9178.40000113.8
433G31Very low32Very low61 Ų61114.1 Ų114.163%0.62980%0.797SS**  trans143.980147.300000116.4
434V31.8Very low32.4Very low146 Ų146109.1 Ų109.189%0.88579%0.791SS**  54.9127112.5-760000119
435G31.5Very low32.9Very low77 Ų77112.4 Ų112.479%0.79480%0.796SS**  trans170.999.6161.700000114.8
436F30.9Very low33.5Very low195 Ų195114.1 Ų114.186%0.85579%0.791SS**  trans-62.6163174-63.1-105.4000111.9
437G31.7Very low34.2Very low46 Ų46116.8 Ų116.847%0.47480%0.798SS.*  cis167.3165.88.700000109.3
438T33.6Very low34.8Very low148 Ų148118 Ų11891%0.90880%0.795SS**  trans55.6131.9154.360.50000118.6
439G32.3Very low35.4Very low70 Ų70124.4 Ų124.472%0.72281%0.808SS**  cis157.7166.513.900000108.8
440N33.3Very low35.6Very low179 Ų179125.4 Ų125.496%0.95780%0.802SS**  trans90.9134.4167.3-79.821.1000121.3
441A33.4Very low36.3Very low92 Ų92130 Ų13076%0.7680%0.804SS**  trans-102.3160.7-165.700000111.5
442S35.5Very low36.6Very low124 Ų124133.6 Ų133.687%0.86781%0.807SS**  trans-168.5147.1137.912.40000110.4
443T34.1Very low36.6Very low148 Ų148129.6 Ų129.691%0.90880%0.797SS**  trans-87.6157.4-174.643.60000113.1
444G37.3Very low36.7Very low64 Ų64134.1 Ų134.166%0.6681%0.806SS**  trans14399.2167.200000109
445D39.9Very low36.5Very low153 Ų153132.7 Ų132.782%0.81880%0.802SS**  80.8115.190.2-81-16.7000112
446D44.3Very low36.8Very low139 Ų139136.3 Ų136.374%0.74380%0.802SS**  trans63.2149.8151.6-60.5-40.8000122.5
447D45.3Very low36.8Very low157 Ų157132.8 Ų132.884%0.8480%0.798SS**  trans97117.8160.3-56.5-38.1000120.1
448D41.6Very low36.8Very low158 Ų158139.4 Ų139.485%0.84582%0.817SS**  trans-61.7120.2168.4-69.6-73.8000110.7
449E46.5Very low36.9Very low199 Ų199140.2 Ų140.293%0.9382%0.815SS**  trans-144.6145.5152.5-74-157166.600112.1
450E40.9Very low36.9Very low180 Ų180143.1 Ų143.184%0.84182%0.815SS**  trans-82.8166.1-177.1-63.4-173141.700112.7
451E45Very low36.9Very low167 Ų167140.7 Ų140.778%0.7881%0.806SS**  trans70115.3163.4-56.1-153.1142.800118.5
452D38.1Very low36.8Very low146 Ų146144.5 Ų144.578%0.78181%0.808SS**  172.114589.3-104-35.3000112.3
453G30.7Very low36.8Very low72 Ų72144.9 Ų144.974%0.74281%0.805SS**  trans-72.7143.4-175.300000114
454I32.3Very low36.7Very low157 Ų157143.7 Ų143.781%0.80580%0.8SS**  trans-131.5114.8163.7-64.2177.5000109.9
455S29.5Very low36.3Very low116 Ų116146.5 Ų146.581%0.81181%0.805SS**  trans-74.2134.6167.443.70000111.5
456I36.5Very low36Very low153 Ų153144.5 Ų144.579%0.78580%0.803SS**  trans-111.7136173.7-59.9-177.7000109.1
457P32.2Very low35.4Very low120 Ų120146.5 Ų146.578%0.77981%0.807SS**PPolyproline II helixtrans-78.6142.7-16631-35.3000113.9
458E29.9Very low34.8Very low185 Ų185147.3 Ų147.386%0.86481%0.811SS**PPolyproline II helixtrans-78.5123172.7-63.8-178.8144.900110.7
459N36.5Very low34.7Very low165 Ų165145.9 Ų145.988%0.88281%0.808SS**PPolyproline II helixtrans-101.3124.1165.4-153.614.9000109.3
460N31.7Very low34.4Very low132 Ų132142.1 Ų142.171%0.70680%0.801SS**  trans-113.9111.5-163.2-165.726.6000109
461T34.7Very low34.5Very low127 Ų127139.4 Ų139.478%0.77980%0.799SS**  trans-118.8115.2167.9-53.50000109.1
462Q30.3Very low34.2Very low173 Ų173138.3 Ų138.381%0.80880%0.798SS**  trans-74.3135.7-179.7-74.4169.5-13.900111.9
463V36.5Very low34.8Very low131 Ų131136 Ų13679%0.79479%0.793SS**  trans-140.1138.9159.4-151.60000108
464P32.1Very low35.4Very low124 Ų124137.9 Ų137.981%0.80579%0.793SS**  trans-89.2161-15133.2-31.2000115.3
465T27.8Very low35.7Very low123 Ų123133.6 Ų133.676%0.75578%0.775SS**  trans-83.2119.5-172.2470000113.5
466S34.3Very low35.9Very low111 Ų111131.3 Ų131.378%0.77677%0.769SS**  trans-152.5107.2151.7-61.90000106.8
467E30.9Very low35.8Very low181 Ų181129 Ų12985%0.84677%0.773SS**  103.180.4109.8-169.8175.2-147.600110.5
468L33.7Very low35.9Very low173 Ų173130.9 Ų130.991%0.90677%0.772SS**  trans-148.6103.9169.4-69.1178.3000110.8
469T38.5Very low36.1Very low128 Ų128127.9 Ų127.979%0.78577%0.77SS**PPolyproline II helixtrans-55.8152.5155.624.20000110.3
470P40.4Very low35.9Very low120 Ų120125.9 Ų125.978%0.77976%0.758SS**PPolyproline II helixtrans-63.4128.7-176.2-11.525.5000110
471P42.6Very low36.1Very low123 Ų123125.3 Ų125.380%0.79976%0.762SS**PPolyproline II helixtrans-71.2142.3174.629-31.9000110.1
472D39.6Very low36.3Very low144 Ų144126 Ų12677%0.7776%0.756SS**PPolyproline II helixtrans-55146.2179.7-87.3-47.7000112.7
473S49.5Very low36.9Very low98 Ų98125.1 Ų125.169%0.68576%0.757SS**PPolyproline II helixtrans-60.8131.3-178.2-60.80000110.3
474P44.3Very low37.9Very low112 Ų112121.9 Ų121.973%0.72773%0.732SS**PPolyproline II helixtrans-63.5141177.126.5-31.5000109.2G476P474-G476 PolarHBondContact O-N 3.15Å
475P39.2Very low38.9Very low67 Ų67120.4 Ų120.444%0.43573%0.725SS.*PPolyproline II helixtrans-60.5139.6174.810.6-2.9000108.1V422 A477V422-P475 HydrophobicContact CB-CG 4.46Å; V422-P475 HydrophobicContact CG1-CG 3.69Å; P475-A477 PolarHBondContact O-N 3.46Å
476G33.6Very low40.8Very low67 Ų67116.2 Ų116.269%0.69171%0.705SS**PPolyproline II helixtrans-48.6120.8173.700000108.8P474 E478P474-G476 PolarHBondContact O-N 3.15Å; G476-E478 PolarHBondContact O-N 3.43Å
477A34.5Very low43.1Very low105 Ų105117.7 Ų117.787%0.86870%0.7SS**  trans-66.881.4162.800000106P475 C479P475-A477 PolarHBondContact O-N 3.46Å; A477-C479 PolarHBondContact O-N 2.79Å; A477-C479 VanDerWaalsContact O-N 3.09Å
478E34.1Very low45.7Very low159 Ų159110.9 Ų110.974%0.74367%0.669SS**  trans-53.7115.2157-64.3-161.5159.800105G476 L480G476-E478 PolarHBondContact O-N 3.43Å; E478-L480 PolarHBondContact O-N 2.62Å
479C33.8Very low48.2Very low122 Ų122106.4 Ų106.482%0.82464%0.644SS**  trans-65.684.1163.5-173.80000104.8A477A477-C479 PolarHBondContact O-N 2.79Å; A477-C479 VanDerWaalsContact O-N 3.09Å
480L32.8Very low50.3Low123 Ų123105.1 Ų105.164%0.64464%0.637SS**  trans-52.1134.4171.5-74.3176.8000106.4E478 Q482E478-L480 PolarHBondContact O-N 2.62Å; L480-Q482 VanDerWaalsContact C-N 3.32Å; L480-Q482 PolarHBondContact O-N 2.91Å
481P34.8Very low52.4Low121 Ų121102 Ų10279%0.78662%0.616SS**  trans-57.6102.4175.1-15.927.4000107.1L483P481-L483 VanDerWaalsContact C-N 3.34Å; P481-L483 PolarHBondContact O-N 2.84Å
482Q38.3Very low54.5Low141 Ų14197.8 Ų97.866%0.65959%0.587SS**  trans-61.8105.3170.9-88.7-178.1-28.700105.9R192 L480 F484R192-Q482 PolarHBondContact NH2-O 3Å; R192-Q482 VanDerWaalsContact NH2-O 3.14Å; L480-Q482 VanDerWaalsContact C-N 3.32Å; L480-Q482 PolarHBondContact O-N 2.91Å; Q482-F484 PolarHBondContact O-N 2.89Å; Q482-F484 VanDerWaalsContact O-N 3.15Å
483L44.6Very low57Low155 Ų15591.2 Ų91.281%0.81255%0.552SS**  trans-42.9121.4174.7-149.582.8000107.7P481 S485P481-L483 VanDerWaalsContact C-N 3.34Å; P481-L483 PolarHBondContact O-N 2.84Å; L483-S485 PolarHBondContact O-N 2.94Å
484F55.7Low59.1Low63 Ų6388.5 Ų88.528%0.27653%0.528SS..  trans-53.6112.2-170.7176.6-112.6000110.1L193 Q482 G486 L488 I508L193-F484 HydrophobicContact CD1-CD2 4.18Å; L193-F484 HydrophobicContact CD1-CE2 3.98Å; L193-F484 HydrophobicContact CD2-CB 4.33Å; L193-F484 HydrophobicContact CD2-CD2 3.71Å; L193-F484 HydrophobicContact CD2-CE2 4.35Å; L193-F484 HydrophobicContact CD2-CG 4.2Å; Q482-F484 PolarHBondContact O-N 2.89Å; Q482-F484 VanDerWaalsContact O-N 3.15Å; F484-G486 VanDerWaalsContact CE1-CA 3.47Å; F484-G486 PolarHBondContact O-N 2.83Å; F484-L488 HydrophobicContact CE2-CD2 4.1Å; F484-L488 HydrophobicContact CZ-CD2 4.39Å; F484-I508 HydrophobicContact CE1-CD1 3.69Å; F484-I508 HydrophobicContact CE2-CD1 3.9Å; F484-I508 HydrophobicContact CZ-CD1 3.29Å
485S54Low61.5Low93 Ų9383.4 Ų83.465%0.6549%0.494SS*.  trans-76.219.7-174.661.80000113.1L483 E487L483-S485 PolarHBondContact O-N 2.94Å; S485-E487 PolarHBondContact O-N 3.49Å; S485-E487 VanDerWaalsContact O-N 3.08Å
486G68.1Low64.1Low34 Ų3481 Ų8135%0.35148%0.482SS..SBendtrans74.5-18-174.700000114.4F484 K498F484-G486 VanDerWaalsContact CE1-CA 3.47Å; F484-G486 PolarHBondContact O-N 2.83Å; G486-K498 WeakPolarHBondContact O-CE 3.48Å; G486-K498 PolarHBondContact O-NZ 2.5Å
487E81.8Confident66.9Low143 Ų14379 Ų7967%0.66846%0.455SS*.SBendtrans-105.6140.4-178.7-70.3-172.2174.600113.2S485S485-E487 PolarHBondContact O-N 3.49Å; S485-E487 VanDerWaalsContact O-N 3.08Å
488L86.2Confident69.7Low37 Ų3778.2 Ų78.219%0.19443%0.432CS..  trans-83.1130.8174.6-67.4173.6000109.3L193 F484 P490 E493 K498 I508L193-L488 HydrophobicContact CD1-CD2 3.98Å; F484-L488 HydrophobicContact CE2-CD2 4.1Å; F484-L488 HydrophobicContact CZ-CD2 4.39Å; L488-P490 WeakPolarHBondContact O-CD 3.47Å; L488-E493 WeakPolarHBondContact CA-OE2 3.29Å; L488-E493 HydrophobicContact CB-CB 4.16Å; L488-E493 HydrophobicContact CD2-CB 4.06Å; L488-E493 HydrophobicContact CD2-CG 4.08Å; L488-K498 HydrophobicContact CD1-CG 3.9Å; L488-K498 HydrophobicContact CG-CG 4.31Å; L488-I508 HydrophobicContact CD1-CG2 4.35Å; L488-I508 HydrophobicContact CD2-CD1 4.19Å; L488-I508 HydrophobicContact CD2-CG2 3.94Å
489H86.4Confident72.4Confident80 Ų8071.6 Ų71.637%0.3740%0.403SS..  trans-73.5116.3176.1-168-87.7000109.9T491 L492 E493H489-T491 PolarHBondContact CE1-OG1 2.96Å; H489-T491 PolarHBondContact ND1-OG1 3.17Å; H489-T491 PolarHBondContact O-N 2.94Å; H489-L492 HydrophobicContact CB-CB 4.14Å; H489-L492 HydrophobicContact CB-CD1 4.33Å; H489-L492 HydrophobicContact CB-CG 4.45Å; H489-L492 PolarHBondContact ND1-N 2.95Å; H489-L492 PolarHBondContact O-N 2.92Å; H489-L492 VanDerWaalsContact O-N 3.08Å; H489-E493 PolarHBondContact N-OE2 3.09Å; H489-E493 PolarHBondContact O-N 3.47Å
490P82.7Confident75.1Confident100 Ų10067.1 Ų67.165%0.64937%0.373SS*.THydrogen-bonded Turntrans-60.7-28.8-167.222.5-33.9000113.8L488L488-P490 WeakPolarHBondContact O-CD 3.47Å
491T84.3Confident77.6Confident56 Ų5669.4 Ų69.434%0.34438%0.384SS..THydrogen-bonded Turntrans-90.5-27.117968.50000113.9R186 H489R186-T491 PolarHBondContact NH1-O 2.87Å; H489-T491 PolarHBondContact CE1-OG1 2.96Å; H489-T491 PolarHBondContact ND1-OG1 3.17Å; H489-T491 PolarHBondContact O-N 2.94Å
492L87.4Confident79.9Confident34 Ų3470.7 Ų70.718%0.17838%0.384CS..THydrogen-bonded Turntrans-91.9-32.6-177.4-64.5174.7000111.2Q130 P191 H489Q130-L492 HydrophobicContact CG-CD2 4.08Å; P191-L492 HydrophobicContact CG-CB 4.32Å; P191-L492 HydrophobicContact CG-CD1 4.5Å; P191-L492 HydrophobicContact CG-CD2 4.27Å; H489-L492 HydrophobicContact CB-CB 4.14Å; H489-L492 HydrophobicContact CB-CD1 4.33Å; H489-L492 HydrophobicContact CB-CG 4.45Å; H489-L492 PolarHBondContact ND1-N 2.95Å; H489-L492 PolarHBondContact O-N 2.92Å; H489-L492 VanDerWaalsContact O-N 3.08Å
493E91.6Very high82Confident6 Ų664.8 Ų64.83%0.02836%0.359CS..SBendtrans-114.942.4-177.9-73.1129.9-162.900111S190 L488 H489 Y495 G496 F510S190-E493 PolarHBondContact OG-OE1 3.16Å; L488-E493 WeakPolarHBondContact CA-OE2 3.29Å; L488-E493 HydrophobicContact CB-CB 4.16Å; L488-E493 HydrophobicContact CD2-CB 4.06Å; L488-E493 HydrophobicContact CD2-CG 4.08Å; H489-E493 PolarHBondContact N-OE2 3.09Å; H489-E493 PolarHBondContact O-N 3.47Å; E493-Y495 PolarHBondContact O-N 3.05Å; E493-Y495 VanDerWaalsContact O-N 3.11Å; E493-G496 WeakPolarHBondContact O-CA 3.49Å; E493-G496 PolarHBondContact O-N 2.99Å; E493-F510 HydrophobicContact CB-CE1 4.11Å; E493-F510 HydrophobicContact CG-CE1 3.83Å; E493-F510 HydrophobicContact CG-CZ 4.1Å
494H92.1Very high83.6Confident41 Ų4162.1 Ų62.119%0.1935%0.351CS..THydrogen-bonded Turntrans-51-36.718017586.1000113.2G160 T162 Q166G160-H494 PolarHBondContact O-CE1 3.3Å; G160-H494 VanDerWaalsContact O-CE1 3.32Å; T162-H494 PolarHBondContact O-NE2 3.22Å; Q166-H494 PolarHBondContact NE2-CD2 2.85Å; Q166-H494 VanDerWaalsContact NE2-CD2 3.32Å; Q166-H494 PolarHBondContact NE2-CE1 3.28Å; Q166-H494 VanDerWaalsContact NE2-CE1 3.29Å; Q166-H494 PolarHBondContact NE2-ND1 2.81Å; Q166-H494 PolarHBondContact NE2-NE2 2.82Å
495Y94.8Very high84.9Confident4 Ų464.1 Ų64.12%0.01636%0.361CS..THydrogen-bonded Turntrans-89.92-179.9-59.6-73.6000113.9L164 Q166 V188 E493 F510 V511 A512L164-Y495 PolarHBondContact O-OH 2.96Å; Q166-Y495 PolarHBondContact N-OH 3.36Å; V188-Y495 HydrophobicContact CB-CD2 4.4Å; V188-Y495 HydrophobicContact CG1-CD2 4.42Å; V188-Y495 HydrophobicContact CG1-CG 4.42Å; V188-Y495 HydrophobicContact CG2-CE2 4.39Å; E493-Y495 PolarHBondContact O-N 3.05Å; E493-Y495 VanDerWaalsContact O-N 3.11Å; Y495-F510 WeakPolarHBondContact O-CA 3.5Å; Y495-V511 WeakPolarHBondContact CD1-O 3.26Å; Y495-V511 PolarHBondContact O-N 2.74Å; Y495-A512 HydrophobicContact CD1-CB 3.55Å; Y495-A512 HydrophobicContact CE1-CB 3.69Å; Y495-A512 HydrophobicContact CG-CB 4.01Å
496G94.1Very high86.5Confident17 Ų1763 Ų6318%0.17535%0.351CS..EExtended strand (participates in β ladder)trans-82.5133.7-174.300000112.9E493 Y509E493-G496 WeakPolarHBondContact O-CA 3.49Å; E493-G496 PolarHBondContact O-N 2.99Å; G496-Y509 CarbonylContact C-O 3.53Å; G496-Y509 WeakPolarHBondContact CA-O 3.12Å
497I93.7Very high87.6Confident26 Ų2662.9 Ų62.913%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-133.1125.2176.9-55.5173.7000107.8I296 M304 Y509I296-I497 HydrophobicContact CD1-CG2 4.19Å; I296-I497 HydrophobicContact CG1-CG2 4.31Å; I296-I497 HydrophobicContact CG2-CG2 3.76Å; M304-I497 HydrophobicContact CB-CD1 4.15Å; M304-I497 HydrophobicContact CG-CD1 3.92Å; M304-I497 HydrophobicContact SD-CD1 3.39Å; M304-I497 WeakPolarHBondContact SD-CD1 3.45Å; I497-Y509 PolarHBondContact N-O 2.74Å; I497-Y509 PolarHBondContact O-N 3.09Å
498K92.6Very high88.1Confident88 Ų8856.4 Ų56.438%0.38331%0.312SS..EExtended strand (participates in β ladder)trans-76.7149.7175.7-63.9176.5180174.90110.7G486 L488G486-K498 WeakPolarHBondContact O-CE 3.48Å; G486-K498 PolarHBondContact O-NZ 2.5Å; L488-K498 HydrophobicContact CD1-CG 3.9Å; L488-K498 HydrophobicContact CG-CG 4.31Å
499S91.2Very high88.5Confident19 Ų1954.8 Ų54.813%0.13330%0.304CS..PPolyproline II helixtrans-65160.917067.60000111.9H295 S503 P506 L507H295-S499 CarbonylContact O-C 3.59Å; H295-S499 WeakPolarHBondContact O-CA 3.32Å; H295-S499 VanDerWaalsContact O-CB 3.27Å; H295-S499 WeakPolarHBondContact O-CB 3.23Å; S499-S503 WeakPolarHBondContact CB-OG 3.33Å; S499-S503 PolarHBondContact OG-OG 3.45Å; S499-P506 WeakPolarHBondContact OG-CA 3.47Å; S499-L507 WeakPolarHBondContact CB-O 3.28Å; S499-L507 PolarHBondContact N-O 3.15Å; S499-L507 PolarHBondContact OG-N 3.46Å; S499-L507 PolarHBondContact OG-O 2.97Å
500S89.3Confident88.9Confident29 Ų2951 Ų5120%0.20329%0.286CS..PPolyproline II helixtrans-59.5150172-171.20000111H295 D502 S503H295-S500 PolarHBondContact O-N 3.32Å; S500-D502 PolarHBondContact O-N 3.27Å; S500-D502 PolarHBondContact OG-N 3.36Å; S500-S503 VanDerWaalsContact O-CB 3.24Å; S500-S503 WeakPolarHBondContact O-CB 3.38Å; S500-S503 PolarHBondContact O-N 2.63Å; S500-S503 PolarHBondContact O-OG 2.91Å
501I85.1Confident89.5Confident170 Ų17046.3 Ų46.387%0.87226%0.256SS*.THydrogen-bonded Turntrans-60.8-29.4173.8-58.9166.6000110.5S503I501-S503 PolarHBondContact O-N 2.86Å
502D83.1Confident90.1Very high148 Ų14843.7 Ų43.779%0.79124%0.239SC*.THydrogen-bonded Turntrans-80.3-2.2177.9-52.7-49.9000113.6S500S500-D502 PolarHBondContact O-N 3.27Å; S500-D502 PolarHBondContact OG-N 3.36Å
503S82.4Confident90.5Very high17 Ų1742 Ų4212%0.11923%0.231CC..SBendtrans-68.1139178.764.70000110.5S499 S500 I501 H505S499-S503 WeakPolarHBondContact CB-OG 3.33Å; S499-S503 PolarHBondContact OG-OG 3.45Å; S500-S503 VanDerWaalsContact O-CB 3.24Å; S500-S503 WeakPolarHBondContact O-CB 3.38Å; S500-S503 PolarHBondContact O-N 2.63Å; S500-S503 PolarHBondContact O-OG 2.91Å; I501-S503 PolarHBondContact O-N 2.86Å; S503-H505 PolarHBondContact O-N 3.24Å; S503-H505 PolarHBondContact OG-O 3.4Å
504P79.1Confident90.5Very high99 Ų9942.5 Ų42.564%0.64323%0.233SC*.SBendtrans-65.4-22.8-178.326-34.8000112.8
505H82.2Confident90.4Very high106 Ų10642.1 Ų42.149%0.49123%0.233SC..SBendtrans-135.9124.5177.3-59.676.5000108.2S503 L507S503-H505 PolarHBondContact O-N 3.24Å; S503-H505 PolarHBondContact OG-O 3.4Å; H505-L507 PolarHBondContact O-N 3.15Å
506P87.6Confident90.3Very high68 Ų6842.1 Ų42.144%0.44223%0.233SC..  trans-68.5117.8177.828-32.5000109.4P332 S499P332-P506 WeakPolarHBondContact CD-O 3.26Å; S499-P506 WeakPolarHBondContact OG-CA 3.47Å
507L91.7Very high90.1Very high33 Ų3341.9 Ų41.917%0.17323%0.228CC..  trans-125.6156.7-179.1-66.2177.3000110.5V329 D331 S499 H505 Y509V329-L507 HydrophobicContact CG1-CB 4.45Å; V329-L507 HydrophobicContact CG1-CD1 4.14Å; V329-L507 HydrophobicContact CG1-CD2 4.19Å; D331-L507 HydrophobicContact CB-CD2 3.82Å; S499-L507 WeakPolarHBondContact CB-O 3.28Å; S499-L507 PolarHBondContact N-O 3.15Å; S499-L507 PolarHBondContact OG-N 3.46Å; S499-L507 PolarHBondContact OG-O 2.97Å; H505-L507 PolarHBondContact O-N 3.15Å; L507-Y509 HydrophobicContact CB-CE1 4.33Å; L507-Y509 HydrophobicContact CB-CE2 4.25Å; L507-Y509 HydrophobicContact CD1-CE1 4.32Å
508I92.6Very high89.8Confident6 Ų642.9 Ų42.93%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-120.9121.6172.8-59.9174.3000108.1L193 H330 F484 L488 F510L193-I508 HydrophobicContact CD1-CD1 3.84Å; L193-I508 HydrophobicContact CD1-CG2 4.4Å; H330-I508 HydrophobicContact CB-CB 4.17Å; H330-I508 PolarHBondContact N-O 3.04Å; H330-I508 PolarHBondContact O-N 3.35Å; F484-I508 HydrophobicContact CE1-CD1 3.69Å; F484-I508 HydrophobicContact CE2-CD1 3.9Å; F484-I508 HydrophobicContact CZ-CD1 3.29Å; L488-I508 HydrophobicContact CD1-CG2 4.35Å; L488-I508 HydrophobicContact CD2-CD1 4.19Å; L488-I508 HydrophobicContact CD2-CG2 3.94Å; I508-F510 HydrophobicContact CG2-CE2 3.89Å; I508-F510 HydrophobicContact CG2-CZ 4.07Å
509Y94Very high89.3Confident4 Ų444.6 Ų44.62%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-101.2132.9-179.7-52.7-79.2000109.9M294 H295 I296 G328 V329 G496 I497 L507M294-Y509 HydrophobicContact CB-CE1 4.31Å; M294-Y509 HydrophobicContact CE-CD1 3.83Å; M294-Y509 HydrophobicContact CE-CD2 4.34Å; M294-Y509 HydrophobicContact CE-CG 3.69Å; M294-Y509 HydrophobicContact CG-CD1 4.2Å; M294-Y509 HydrophobicContact CG-CE1 4.1Å; H295-Y509 PolarHBondContact N-OH 3.31Å; I296-Y509 HydrophobicContact CD1-CD2 4.26Å; I296-Y509 HydrophobicContact CG1-CD2 3.95Å; I296-Y509 HydrophobicContact CG1-CE2 4.01Å; G328-Y509 CarbonylContact O-C 3.51Å; G328-Y509 WeakPolarHBondContact O-CA 3.39Å; V329-Y509 HydrophobicContact CG1-CD1 4.43Å; V329-Y509 HydrophobicContact CG1-CE1 4.34Å; V329-Y509 HydrophobicContact CG2-CD1 4.14Å; V329-Y509 HydrophobicContact CG2-CE1 4.41Å; G496-Y509 CarbonylContact C-O 3.53Å; G496-Y509 WeakPolarHBondContact CA-O 3.12Å; I497-Y509 PolarHBondContact N-O 2.74Å; I497-Y509 PolarHBondContact O-N 3.09Å; L507-Y509 HydrophobicContact CB-CE1 4.33Å; L507-Y509 HydrophobicContact CB-CE2 4.25Å; L507-Y509 HydrophobicContact CD1-CE1 4.32Å
510F95.3Very high88.8Confident0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-107.9115.6169.6-68.5-85000108.7V188 F189 S190 L193 I195 I327 G328 H330 E493 Y495 I508V188-F510 HydrophobicContact CG1-CB 4.47Å; V188-F510 WeakPolarHBondContact O-CD1 3.4Å; F189-F510 HydrophobicContact CD1-CB 3.8Å; F189-F510 HydrophobicContact CD1-CG 4.23Å; F189-F510 HydrophobicContact CE1-CB 4.21Å; S190-F510 VanDerWaalsContact CB-CZ 3.45Å; L193-F510 HydrophobicContact CB-CE2 4.43Å; L193-F510 HydrophobicContact CB-CZ 4.37Å; L193-F510 HydrophobicContact CD1-CZ 4.07Å; I195-F510 HydrophobicContact CD1-CD2 3.53Å; I195-F510 HydrophobicContact CD1-CE2 3.85Å; I195-F510 HydrophobicContact CD1-CG 4.44Å; I327-F510 CarbonylContact C-O 3.6Å; I327-F510 VanDerWaalsContact CA-O 3.27Å; I327-F510 WeakPolarHBondContact CA-O 3.35Å; G328-F510 PolarHBondContact N-O 2.96Å; G328-F510 PolarHBondContact O-N 3.38Å; H330-F510 HydrophobicContact CB-CE2 4.23Å; E493-F510 HydrophobicContact CB-CE1 4.11Å; E493-F510 HydrophobicContact CG-CE1 3.83Å; E493-F510 HydrophobicContact CG-CZ 4.1Å; Y495-F510 WeakPolarHBondContact O-CA 3.5Å; I508-F510 HydrophobicContact CG2-CE2 3.89Å; I508-F510 HydrophobicContact CG2-CZ 4.07Å
511V95.2Very high88Confident2 Ų244.7 Ų44.71%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-124123.3-172.7-176.30000109.9L163 M294 M304 L325 L326 I327 Y495L163-V511 WeakPolarHBondContact CD2-O 3.42Å; M294-V511 HydrophobicContact CE-CG2 3.52Å; M304-V511 HydrophobicContact SD-CB 4.39Å; M304-V511 HydrophobicContact SD-CG1 4.25Å; M304-V511 HydrophobicContact SD-CG2 4.24Å; L325-V511 HydrophobicContact CD1-CG1 3.75Å; L325-V511 HydrophobicContact CD2-CG1 3.85Å; L325-V511 HydrophobicContact CG-CG1 3.89Å; L326-V511 WeakPolarHBondContact O-CA 3.47Å; I327-V511 HydrophobicContact CG1-CG2 4.5Å; Y495-V511 WeakPolarHBondContact CD1-O 3.26Å; Y495-V511 PolarHBondContact O-N 2.74Å
512A96.4Very high86.9Confident0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-150.3150.1176.800000112.1L163 V188 L326 Y495L163-A512 WeakPolarHBondContact O-CA 3.34Å; V188-A512 HydrophobicContact CB-CB 4.19Å; V188-A512 HydrophobicContact CG1-CB 3.54Å; V188-A512 HydrophobicContact CG2-CB 3.56Å; L326-A512 PolarHBondContact N-O 3.43Å; L326-A512 PolarHBondContact O-N 2.91Å; Y495-A512 HydrophobicContact CD1-CB 3.55Å; Y495-A512 HydrophobicContact CE1-CB 3.69Å; Y495-A512 HydrophobicContact CG-CB 4.01Å
513I95.6Very high86.2Confident0 Ų045.4 Ų45.40%023%0.228CC..EExtended strand (participates in β ladder)trans-80136.4168.8-56.1175.3000108.6L163 L164 P165 L308 D311 L315 Y323 S324 L325 I516L163-I513 HydrophobicContact CB-CG1 4.29Å; L163-I513 PolarHBondContact O-N 3.18Å; L164-I513 HydrophobicContact CD2-CB 4.35Å; L164-I513 HydrophobicContact CD2-CD1 3.97Å; L164-I513 HydrophobicContact CD2-CG2 4.45Å; P165-I513 VanDerWaalsContact CD-O 3.25Å; P165-I513 WeakPolarHBondContact CD-O 3.32Å; P165-I513 VanDerWaalsContact CG-O 3.27Å; P165-I513 WeakPolarHBondContact CG-O 3.35Å; L308-I513 HydrophobicContact CD1-CD1 3.85Å; L308-I513 HydrophobicContact CD1-CG1 4.15Å; D311-I513 HydrophobicContact CB-CD1 3.76Å; L315-I513 HydrophobicContact CD1-CD1 4.06Å; L315-I513 HydrophobicContact CD1-CG2 4.09Å; Y323-I513 HydrophobicContact CD2-CG2 4.05Å; Y323-I513 HydrophobicContact CG-CG2 4.26Å; S324-I513 CarbonylContact O-C 3.48Å; S324-I513 VanDerWaalsContact O-CA 3.3Å; S324-I513 WeakPolarHBondContact O-CA 3.46Å; L325-I513 HydrophobicContact CD1-CG1 3.98Å; I513-I516 HydrophobicContact CG2-CG2 3.56Å
514I93.4Very high85.5Confident16 Ų1647.2 Ų47.28%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-128.2163178.862165.1000111.9V188 Y323 S324 L326 I516V188-I514 HydrophobicContact CG2-CG2 4.46Å; Y323-I514 VanDerWaalsContact CA-O 3.3Å; Y323-I514 WeakPolarHBondContact CA-O 3.34Å; Y323-I514 WeakPolarHBondContact CB-O 3.49Å; S324-I514 PolarHBondContact N-O 3.04Å; S324-I514 PolarHBondContact O-N 2.9Å; L326-I514 HydrophobicContact CB-CD1 3.97Å; L326-I514 HydrophobicContact CB-CG1 4.16Å; L326-I514 HydrophobicContact CB-CG2 3.84Å; L326-I514 HydrophobicContact CD2-CD1 4.46Å; L326-I514 HydrophobicContact CD2-CG2 4.03Å; I514-I516 PolarHBondContact O-N 3.41Å
515D89Confident84.8Confident33 Ų3348.3 Ų48.318%0.17623%0.225CC..  trans57.546175.3-74.3-7.3000115.7K134 G392 L517K134-D515 IonicContact NZ-OD1 3.76Å; K134-D515 PolarHBondContact NZ-OD1 3.15Å; K134-D515 IonicContact NZ-OD2 3.12Å; G392-D515 WeakPolarHBondContact CA-OD2 3.37Å; G392-D515 PolarHBondContact N-OD2 2.89Å; D515-L517 VanDerWaalsContact C-N 3.3Å; D515-L517 PolarHBondContact O-N 2.77Å
516I93.3Very high84.2Confident3 Ų347.8 Ų47.82%0.01523%0.229CC..THydrogen-bonded Turntrans-80.64.2-176.567.2164.7000115.3M147 L164 P165 F167 L315 L320 I513 I514M147-I516 HydrophobicContact CE-CD1 3.8Å; M147-I516 HydrophobicContact CE-CG1 4.26Å; L164-I516 HydrophobicContact CD2-CD1 4.31Å; L164-I516 HydrophobicContact CD2-CG2 4.3Å; P165-I516 HydrophobicContact CG-CD1 4.37Å; P165-I516 HydrophobicContact CG-CG1 4.3Å; F167-I516 HydrophobicContact CE2-CD1 3.87Å; F167-I516 HydrophobicContact CE2-CG1 4.45Å; F167-I516 HydrophobicContact CZ-CD1 3.83Å; F167-I516 HydrophobicContact CZ-CG1 3.94Å; L315-I516 HydrophobicContact CD1-CG2 4.34Å; L315-I516 HydrophobicContact CD2-CB 3.8Å; L315-I516 HydrophobicContact CD2-CD1 4.31Å; L315-I516 HydrophobicContact CD2-CG2 3.82Å; L320-I516 WeakPolarHBondContact CD1-O 3.36Å; L320-I516 WeakPolarHBondContact CD2-O 3.45Å; I513-I516 HydrophobicContact CG2-CG2 3.56Å; I514-I516 PolarHBondContact O-N 3.41Å
517L90.5Very high83.1Confident13 Ų1346.3 Ų46.37%0.06822%0.223CC..THydrogen-bonded Turntrans-90.88.3-174.9-61.6179.6000114.2I136 E140 Q143 M144 M147 L183 D515 R519I136-L517 HydrophobicContact CD1-CD1 4.46Å; E140-L517 HydrophobicContact CB-CB 4.25Å; E140-L517 HydrophobicContact CB-CD1 3.98Å; E140-L517 HydrophobicContact CG-CB 3.98Å; E140-L517 HydrophobicContact CG-CD1 4.38Å; Q143-L517 WeakPolarHBondContact CG-O 3.28Å; M144-L517 HydrophobicContact CB-CD2 4.25Å; M144-L517 HydrophobicContact SD-CD2 4.06Å; M147-L517 HydrophobicContact CE-CD2 3.55Å; M147-L517 HydrophobicContact SD-CD2 3.85Å; L183-L517 HydrophobicContact CD2-CD1 3.76Å; D515-L517 VanDerWaalsContact C-N 3.3Å; D515-L517 PolarHBondContact O-N 2.77Å; L517-R519 PolarHBondContact O-N 2.74Å
518T85.8Confident81.6Confident47 Ų4747.1 Ų47.129%0.28823%0.225SC..  trans-90.8103.4177.9-58.50000110.9I321 D322I321-T518 HydrophobicContact CG1-CG2 4.29Å; I321-T518 PolarHBondContact N-O 3.09Å; I321-T518 WeakPolarHBondContact O-CB 3.19Å; D322-T518 HydrophobicContact CB-CG2 4.17Å
519R83.6Confident80.2Confident124 Ų12451 Ų5147%0.46825%0.25SS..BIsolated β-bridgetrans-77.1143.3175.4-172.9169.5178.3-140.75.6112.7Q143 L320 L517 G521Q143-R519 HydrophobicContact CG-CB 4.35Å; Q143-R519 VanDerWaalsContact OE1-CB 3.22Å; L320-R519 HydrophobicContact CD2-CB 4.49Å; L517-R519 PolarHBondContact O-N 2.74Å; R519-G521 PolarHBondContact O-N 3.11Å
520Y79Confident78.7Confident27 Ų2757.3 Ų57.311%0.10628%0.275CS..  trans-71.773.4169-168.1-114.5000111.6N319 I321 K524 R525 Q528 P544N319-Y520 VanDerWaalsContact O-CB 3.31Å; N319-Y520 WeakPolarHBondContact O-CB 3.09Å; N319-Y520 PolarHBondContact O-N 3.47Å; I321-Y520 HydrophobicContact CD1-CD2 3.72Å; I321-Y520 HydrophobicContact CG1-CD2 4.33Å; I321-Y520 HydrophobicContact CG2-CD2 4.35Å; Y520-K524 HydrophobicContact CD2-CB 3.67Å; Y520-K524 HydrophobicContact CE2-CB 3.73Å; Y520-R525 HydrophobicContact CD1-CG 4.33Å; Y520-R525 HydrophobicContact CE1-CG 3.61Å; Y520-Q528 VanDerWaalsContact OH-CD 3.28Å; Y520-Q528 PolarHBondContact OH-OE1 3.34Å; Y520-P544 HydrophobicContact CD1-CG 4.21Å; Y520-P544 HydrophobicContact CG-CG 4.1Å
521G72.4Confident77.1Confident23 Ų2361.5 Ų61.524%0.23729%0.293CS..  trans-89.8-174.7-178.500000114.6R519 R523 K524 R525R519-G521 PolarHBondContact O-N 3.11Å; G521-R523 VanDerWaalsContact C-N 3.27Å; G521-R523 PolarHBondContact O-N 3.49Å; G521-K524 PolarHBondContact O-N 2.84Å; G521-K524 VanDerWaalsContact O-N 3.12Å; G521-R525 PolarHBondContact O-N 3.1Å
522M62.6Low75.5Confident140 Ų14064.1 Ų64.169%0.6931%0.309SS*.Hα-helixtrans-54.4-41.2175.3-65.4-179.3-167.400112.1K524 R525 T526M522-K524 VanDerWaalsContact C-N 3.27Å; M522-K524 PolarHBondContact O-N 3.31Å; M522-R525 VanDerWaalsContact CG-NH2 3.29Å; M522-R525 PolarHBondContact O-N 2.89Å; M522-R525 VanDerWaalsContact O-N 3.13Å; M522-T526 WeakPolarHBondContact O-CB 3.43Å; M522-T526 PolarHBondContact O-N 3.03Å; M522-T526 PolarHBondContact O-OG1 3.48Å
523R67.9Low74.1Confident193 Ų19369.7 Ų69.773%0.72834%0.343SS*.Hα-helixtrans-53.4-44.1177.2-65.2-177.7-173.7165.53.4111.9E139 G521 A527E139-R523 IonicContact OE1-CZ 3.93Å; E139-R523 IonicContact OE1-NH1 2.93Å; E139-R523 PolarHBondContact OE1-NH1 2.85Å; E139-R523 VanDerWaalsContact OE1-NH1 3.11Å; E139-R523 IonicContact OE1-NH2 3.76Å; E139-R523 PolarHBondContact OE1-NH2 2.8Å; G521-R523 VanDerWaalsContact C-N 3.27Å; G521-R523 PolarHBondContact O-N 3.49Å; R523-A527 WeakPolarHBondContact O-CB 3.25Å; R523-A527 PolarHBondContact O-N 3.47Å
524K67.7Low72.5Confident55 Ų5575.7 Ų75.724%0.23937%0.369CS..Hα-helixtrans-76.2-37179.5-66.4-75.9-179.8173.10112I321 D322 Y520 G521 M522 A527 Q528 S541I321-K524 HydrophobicContact CD1-CB 4.37Å; I321-K524 HydrophobicContact CD1-CD 3.9Å; I321-K524 HydrophobicContact CD1-CG 3.97Å; D322-K524 VanDerWaalsContact OD2-CE 3.31Å; D322-K524 WeakPolarHBondContact OD2-CE 3.2Å; D322-K524 IonicContact OD2-NZ 2.71Å; D322-K524 PolarHBondContact OD2-NZ 2.73Å; Y520-K524 HydrophobicContact CD2-CB 3.67Å; Y520-K524 HydrophobicContact CE2-CB 3.73Å; G521-K524 PolarHBondContact O-N 2.84Å; G521-K524 VanDerWaalsContact O-N 3.12Å; M522-K524 VanDerWaalsContact C-N 3.27Å; M522-K524 PolarHBondContact O-N 3.31Å; K524-A527 CarbonylContact O-C 3.5Å; K524-A527 PolarHBondContact O-N 2.8Å; K524-Q528 PolarHBondContact O-N 3.5Å; K524-S541 PolarHBondContact O-OG 3.07Å
525R65.7Low70.7Confident122 Ų12280.7 Ų80.746%0.4639%0.391SS..Hα-helixtrans-61.5-45.1172-71.3-174.5-76.4178.3-4.5112.1Y520 G521 M522 Q528 T529Y520-R525 HydrophobicContact CD1-CG 4.33Å; Y520-R525 HydrophobicContact CE1-CG 3.61Å; G521-R525 PolarHBondContact O-N 3.1Å; M522-R525 VanDerWaalsContact CG-NH2 3.29Å; M522-R525 PolarHBondContact O-N 2.89Å; M522-R525 VanDerWaalsContact O-N 3.13Å; R525-Q528 WeakPolarHBondContact O-CA 3.31Å; R525-Q528 WeakPolarHBondContact O-CB 3.41Å; R525-Q528 PolarHBondContact O-N 3.37Å; R525-Q528 VanDerWaalsContact O-N 3.11Å; R525-T529 PolarHBondContact O-N 3.05Å; R525-T529 PolarHBondContact O-OG1 3.3Å; R525-T529 VanDerWaalsContact O-OG1 3.07Å
526T68.4Low69Low95 Ų9580.9 Ų80.958%0.58340%0.402SS*.Hα-helixtrans-64.6-41.5175.6-53.20000111.2M522 Q528 T529 Y530M522-T526 WeakPolarHBondContact O-CB 3.43Å; M522-T526 PolarHBondContact O-N 3.03Å; M522-T526 PolarHBondContact O-OG1 3.48Å; T526-Q528 VanDerWaalsContact C-N 3.27Å; T526-Q528 PolarHBondContact O-N 2.85Å; T526-T529 PolarHBondContact O-N 2.95Å; T526-Y530 WeakPolarHBondContact O-CB 3.37Å; T526-Y530 PolarHBondContact O-N 3.07Å
527A64.4Low67.2Low37 Ų3784.6 Ų84.631%0.30643%0.432SS..Hα-helixtrans-61.9-35172.200000112.2R523 K524 K531R523-A527 WeakPolarHBondContact O-CB 3.25Å; R523-A527 PolarHBondContact O-N 3.47Å; K524-A527 CarbonylContact O-C 3.5Å; K524-A527 PolarHBondContact O-N 2.8Å; A527-K531 WeakPolarHBondContact O-CB 3.3Å; A527-K531 WeakPolarHBondContact O-CG 3.44Å; A527-K531 PolarHBondContact O-N 3.01Å
528Q61Low65.2Low49 Ų4989.8 Ų89.823%0.22946%0.46CS..Hα-helixtrans-60.9-57.1172.4-161.5-179.523.700110.2Y520 K524 R525 T526 Y530 K531 T532 S541Y520-Q528 VanDerWaalsContact OH-CD 3.28Å; Y520-Q528 PolarHBondContact OH-OE1 3.34Å; K524-Q528 PolarHBondContact O-N 3.5Å; R525-Q528 WeakPolarHBondContact O-CA 3.31Å; R525-Q528 WeakPolarHBondContact O-CB 3.41Å; R525-Q528 PolarHBondContact O-N 3.37Å; R525-Q528 VanDerWaalsContact O-N 3.11Å; T526-Q528 VanDerWaalsContact C-N 3.27Å; T526-Q528 PolarHBondContact O-N 2.85Å; Q528-Y530 VanDerWaalsContact C-N 3.28Å; Q528-Y530 PolarHBondContact O-N 3.49Å; Q528-K531 PolarHBondContact O-N 3.35Å; Q528-K531 VanDerWaalsContact O-N 3.09Å; Q528-T532 WeakPolarHBondContact O-CB 3.26Å; Q528-T532 PolarHBondContact O-N 3.42Å; Q528-T532 PolarHBondContact O-OG1 3.5Å; Q528-T532 VanDerWaalsContact O-OG1 3.06Å; Q528-S541 WeakPolarHBondContact CA-OG 3.46Å; Q528-S541 WeakPolarHBondContact CB-OG 3.42Å; Q528-S541 VanDerWaalsContact CD-O 3.25Å; Q528-S541 VanDerWaalsContact CG-O 3.3Å; Q528-S541 WeakPolarHBondContact CG-O 3.49Å; Q528-S541 WeakPolarHBondContact CG-OG 3.46Å; Q528-S541 PolarHBondContact N-OG 3.48Å; Q528-S541 PolarHBondContact NE2-O 3.06Å
529T62.7Low63.4Low89 Ų8988.7 Ų88.755%0.54646%0.458SS..Hα-helixtrans-56.6-44.9-178-51.40000110.7R525 T526 K531 T532 V533R525-T529 PolarHBondContact O-N 3.05Å; R525-T529 PolarHBondContact O-OG1 3.3Å; R525-T529 VanDerWaalsContact O-OG1 3.07Å; T526-T529 PolarHBondContact O-N 2.95Å; T529-K531 PolarHBondContact O-N 3.32Å; T529-T532 PolarHBondContact O-N 2.86Å; T529-V533 HydrophobicContact CG2-CG2 4.48Å; T529-V533 WeakPolarHBondContact O-CB 3.18Å; T529-V533 WeakPolarHBondContact O-CG2 3.46Å; T529-V533 PolarHBondContact O-N 3.43Å
530Y63.1Low61.6Low136 Ų13683.5 Ų83.553%0.53344%0.444SS..Hα-helixtrans-61.6-44.2177.2-175.7-99.7000112.8T526 Q528 V533 K534T526-Y530 WeakPolarHBondContact O-CB 3.37Å; T526-Y530 PolarHBondContact O-N 3.07Å; Q528-Y530 VanDerWaalsContact C-N 3.28Å; Q528-Y530 PolarHBondContact O-N 3.49Å; Y530-V533 PolarHBondContact O-N 3.11Å; Y530-K534 HydrophobicContact CD1-CD 4.24Å; Y530-K534 HydrophobicContact CE1-CD 3.57Å; Y530-K534 HydrophobicContact CE1-CG 4.4Å; Y530-K534 HydrophobicContact CE2-CD 4.37Å; Y530-K534 WeakPolarHBondContact O-CB 3.3Å; Y530-K534 PolarHBondContact O-N 3.43Å; Y530-K534 WeakPolarHBondContact OH-CE 3.38Å; Y530-K534 PolarHBondContact OH-NZ 3.13Å
531K61.5Low60.4Low88 Ų8883.2 Ų83.238%0.38345%0.446SS..Hα-helixtrans-68.3-41.7178.3-76.7-178179.5-173.30112.1A527 Q528 T529 V533 K534 H535A527-K531 WeakPolarHBondContact O-CB 3.3Å; A527-K531 WeakPolarHBondContact O-CG 3.44Å; A527-K531 PolarHBondContact O-N 3.01Å; Q528-K531 PolarHBondContact O-N 3.35Å; Q528-K531 VanDerWaalsContact O-N 3.09Å; T529-K531 PolarHBondContact O-N 3.32Å; K531-V533 VanDerWaalsContact C-N 3.31Å; K531-V533 PolarHBondContact O-N 3.44Å; K531-K534 PolarHBondContact O-N 3.17Å; K531-H535 PolarHBondContact O-N 3.15Å
532T61.7Low59.9Low56 Ų5683 Ų8334%0.34444%0.44SS..Hα-helixtrans-62.1-39.3176-60.10000111.4Q528 T529 G536Q528-T532 WeakPolarHBondContact O-CB 3.26Å; Q528-T532 PolarHBondContact O-N 3.42Å; Q528-T532 PolarHBondContact O-OG1 3.5Å; Q528-T532 VanDerWaalsContact O-OG1 3.06Å; T529-T532 PolarHBondContact O-N 2.86Å; T532-G536 CarbonylContact O-C 3.55Å; T532-G536 WeakPolarHBondContact O-CA 3.28Å; T532-G536 PolarHBondContact O-N 3.21Å; T532-G536 VanDerWaalsContact O-N 3.13Å
533V67.6Low60.5Low118 Ų11881.7 Ų81.772%0.71543%0.43SS*.Hα-helixtrans-67.6-37175.3170.30000111.7T529 Y530 K531T529-V533 HydrophobicContact CG2-CG2 4.48Å; T529-V533 WeakPolarHBondContact O-CB 3.18Å; T529-V533 WeakPolarHBondContact O-CG2 3.46Å; T529-V533 PolarHBondContact O-N 3.43Å; Y530-V533 PolarHBondContact O-N 3.11Å; K531-V533 VanDerWaalsContact C-N 3.31Å; K531-V533 PolarHBondContact O-N 3.44Å
534K61.8Low61.1Low125 Ų12572.6 Ų72.654%0.54340%0.396SS..Hα-helixtrans-82.7-36.5-178.2-80.4-163.5163.7-171.30115.5Y530 K531Y530-K534 HydrophobicContact CD1-CD 4.24Å; Y530-K534 HydrophobicContact CE1-CD 3.57Å; Y530-K534 HydrophobicContact CE1-CG 4.4Å; Y530-K534 HydrophobicContact CE2-CD 4.37Å; Y530-K534 WeakPolarHBondContact O-CB 3.3Å; Y530-K534 PolarHBondContact O-N 3.43Å; Y530-K534 WeakPolarHBondContact OH-CE 3.38Å; Y530-K534 PolarHBondContact OH-NZ 3.13Å; K531-K534 PolarHBondContact O-N 3.17Å
535H56.1Low61.7Low121 Ų12173.6 Ų73.656%0.5640%0.402SS*.Hα-helixtrans-124.79.7-167.5-57.591.8000113.6K531K531-H535 PolarHBondContact O-N 3.15Å
536G52.9Low62.6Low38 Ų3872.5 Ų72.539%0.39240%0.4SS..  trans72.2175.7-169.900000112.2T532 D538T532-G536 CarbonylContact O-C 3.55Å; T532-G536 WeakPolarHBondContact O-CA 3.28Å; T532-G536 PolarHBondContact O-N 3.21Å; T532-G536 VanDerWaalsContact O-N 3.13Å; G536-D538 PolarHBondContact O-N 2.83Å
537A54.6Low63.3Low80 Ų8068.4 Ų68.466%0.66137%0.374SS*.G310 helixtrans-58.7-19.6-173.600000114.3G539A537-G539 PolarHBondContact O-N 2.79Å
538D49.8Very low64.3Low123 Ų12366.6 Ų66.666%0.65836%0.36SS*.G310 helixtrans-86.5-4.4-164.9-64.6-24.2000114.9G536G536-D538 PolarHBondContact O-N 2.83Å
539G46.8Very low65.5Low24 Ų2470 Ų7025%0.24737%0.37CS..G310 helixtrans-121.33.4-175.600000117A537A537-G539 PolarHBondContact O-N 2.79Å
540G46.8Very low66.6Low15 Ų1567.8 Ų67.816%0.15535%0.352CS..SBendtrans-87.3158.2-172.500000114.7V542G540-V542 PolarHBondContact O-N 3.41Å
541S52.9Low67.8Low21 Ų2161.5 Ų61.515%0.14733%0.327CS..PPolyproline II helixtrans-50.7128.9174.146.60000110.6K524 Q528K524-S541 PolarHBondContact O-OG 3.07Å; Q528-S541 WeakPolarHBondContact CA-OG 3.46Å; Q528-S541 WeakPolarHBondContact CB-OG 3.42Å; Q528-S541 VanDerWaalsContact CD-O 3.25Å; Q528-S541 VanDerWaalsContact CG-O 3.3Å; Q528-S541 WeakPolarHBondContact CG-O 3.49Å; Q528-S541 WeakPolarHBondContact CG-OG 3.46Å; Q528-S541 PolarHBondContact N-OG 3.48Å; Q528-S541 PolarHBondContact NE2-O 3.06Å
542V63Low69.1Low19 Ų1958.9 Ų58.912%0.11532%0.317CS..PPolyproline II helixtrans-82133.9-167.6-177.90000107.7G540 F546 Y547 R550G540-V542 PolarHBondContact O-N 3.41Å; V542-F546 HydrophobicContact CG1-CB 3.08Å; V542-F546 HydrophobicContact CG1-CG 4.3Å; V542-Y547 VanDerWaalsContact CG1-N 3.3Å; V542-R550 VanDerWaalsContact CG2-NH1 3.3Å
543K75.2Confident70.3Confident111 Ų11159.6 Ų59.648%0.48332%0.317SS..PPolyproline II helixtrans-56.1150.2173.8-54.9-178174179.40109E545 F546 Y547K543-E545 WeakPolarHBondContact CB-OE2 3.21Å; K543-E545 PolarHBondContact O-N 3.23Å; K543-F546 HydrophobicContact CB-CD2 4.07Å; K543-F546 HydrophobicContact CD-CD2 4.48Å; K543-F546 HydrophobicContact CD-CE2 4.35Å; K543-F546 HydrophobicContact CG-CD2 4.44Å; K543-F546 PolarHBondContact O-N 2.96Å; K543-Y547 PolarHBondContact O-N 3.24Å
544P80.5Confident71.1Confident3 Ų354.1 Ų54.12%0.01928%0.283CS..Hα-helixtrans-47.8-39.7-176.1-27.333.5000114N319 I321 Y520 F546 Y547 G548N319-P544 HydrophobicContact CB-CG 4.48Å; I321-P544 HydrophobicContact CG2-CB 4.01Å; I321-P544 HydrophobicContact CG2-CG 3.8Å; Y520-P544 HydrophobicContact CD1-CG 4.21Å; Y520-P544 HydrophobicContact CG-CG 4.1Å; P544-F546 VanDerWaalsContact C-N 3.32Å; P544-F546 PolarHBondContact O-N 2.83Å; P544-Y547 PolarHBondContact O-N 2.91Å; P544-G548 PolarHBondContact O-N 2.91Å
545E80.4Confident72.3Confident76 Ų7648.3 Ų48.336%0.35526%0.258SS..Hα-helixtrans-66.9-31.5-177.8-5077.4-165.100113K543 R549K543-E545 WeakPolarHBondContact CB-OE2 3.21Å; K543-E545 PolarHBondContact O-N 3.23Å; E545-R549 WeakPolarHBondContact O-CG 3.28Å; E545-R549 PolarHBondContact O-NE 3.39Å
546F82.6Confident73.8Confident99 Ų9947.7 Ų47.743%0.43426%0.256SS..Hα-helixtrans-85.3-28.8175.7-69.7-81.5000111.2V542 K543 P544 R550V542-F546 HydrophobicContact CG1-CB 3.08Å; V542-F546 HydrophobicContact CG1-CG 4.3Å; K543-F546 HydrophobicContact CB-CD2 4.07Å; K543-F546 HydrophobicContact CD-CD2 4.48Å; K543-F546 HydrophobicContact CD-CE2 4.35Å; K543-F546 HydrophobicContact CG-CD2 4.44Å; K543-F546 PolarHBondContact O-N 2.96Å; P544-F546 VanDerWaalsContact C-N 3.32Å; P544-F546 PolarHBondContact O-N 2.83Å; F546-R550 VanDerWaalsContact O-CG 3.26Å; F546-R550 WeakPolarHBondContact O-CG 3.35Å; F546-R550 PolarHBondContact O-N 2.97Å
547Y84.5Confident75.3Confident8 Ų849.9 Ų49.93%0.03126%0.256CS..Hα-helixtrans-65.6-51.2178-175.6-89.7000110.1I204 D322 Y323 V542 K543 P544 R550 L551I204-Y547 HydrophobicContact CD1-CE2 4.16Å; I204-Y547 HydrophobicContact CG1-CE2 4.48Å; D322-Y547 WeakPolarHBondContact CA-OH 3.25Å; Y323-Y547 HydrophobicContact CD1-CD1 4.26Å; Y323-Y547 AromaticContact CD1-CE1 3.89Å; Y323-Y547 HydrophobicContact CD1-CE1 3.89Å; Y323-Y547 HydrophobicContact CD2-CD1 4.42Å; Y323-Y547 AromaticContact CD2-CE1 3.71Å; Y323-Y547 HydrophobicContact CD2-CE1 3.71Å; Y323-Y547 AromaticContact CE1-CD1 3.67Å; Y323-Y547 HydrophobicContact CE1-CD1 3.67Å; Y323-Y547 AromaticContact CE1-CE1 3.75Å; Y323-Y547 HydrophobicContact CE1-CE1 3.75Å; Y323-Y547 AromaticContact CE2-CD1 3.83Å; Y323-Y547 HydrophobicContact CE2-CD1 3.83Å; Y323-Y547 AromaticContact CE2-CE1 3.55Å; Y323-Y547 HydrophobicContact CE2-CE1 3.55Å; Y323-Y547 AromaticContact CG-CE1 3.88Å; Y323-Y547 HydrophobicContact CG-CE1 3.88Å; Y323-Y547 AromaticContact CZ-CD1 3.43Å; Y323-Y547 VanDerWaalsContact CZ-CD1 3.43Å; Y323-Y547 AromaticContact CZ-CE1 3.59Å; Y323-Y547 PolarHBondContact N-OH 3.04Å; Y323-Y547 PolarHBondContact O-OH 3.33Å; V542-Y547 VanDerWaalsContact CG1-N 3.3Å; K543-Y547 PolarHBondContact O-N 3.24Å; P544-Y547 PolarHBondContact O-N 2.91Å; Y547-R550 PolarHBondContact O-N 3.25Å; Y547-L551 PolarHBondContact O-N 2.57Å
548G85.6Confident76.7Confident0 Ų046.4 Ų46.40%023%0.227CC..Hα-helixtrans-63.3-43.6179.600000113.6I312 Y323 P544 R550 L551 L552I312-G548 VanDerWaalsContact CG2-CA 3.45Å; Y323-G548 WeakPolarHBondContact OH-CA 3.23Å; P544-G548 PolarHBondContact O-N 2.91Å; G548-R550 VanDerWaalsContact C-N 3.32Å; G548-R550 PolarHBondContact O-N 3.22Å; G548-L551 PolarHBondContact O-N 2.97Å; G548-L552 PolarHBondContact O-N 3.25Å
549R86.2Confident78.3Confident119 Ų11940.7 Ų40.745%0.44920%0.196SC..Hα-helixtrans-59.3-40.6176.7-78.4-174.8-71175.6-2.2113.1E545 L551 L552 E553E545-R549 WeakPolarHBondContact O-CG 3.28Å; E545-R549 PolarHBondContact O-NE 3.39Å; R549-L551 VanDerWaalsContact C-N 3.34Å; R549-L551 PolarHBondContact O-N 3.23Å; R549-L552 PolarHBondContact O-N 3.33Å; R549-E553 WeakPolarHBondContact O-CG 3.29Å; R549-E553 PolarHBondContact O-N 3.14Å
550R85.4Confident79.9Confident44 Ų4444.1 Ų44.117%0.16621%0.209CC..Hα-helixtrans-63.7-40.2177.3-75.2176.8-176.6-171.30.8112.3Y206 V542 F546 Y547 G548 F554Y206-R550 WeakPolarHBondContact O-CD 3.39Å; Y206-R550 PolarHBondContact O-NE 2.98Å; V542-R550 VanDerWaalsContact CG2-NH1 3.3Å; F546-R550 VanDerWaalsContact O-CG 3.26Å; F546-R550 WeakPolarHBondContact O-CG 3.35Å; F546-R550 PolarHBondContact O-N 2.97Å; Y547-R550 PolarHBondContact O-N 3.25Å; G548-R550 VanDerWaalsContact C-N 3.32Å; G548-R550 PolarHBondContact O-N 3.22Å; R550-F554 VanDerWaalsContact O-CB 3.28Å; R550-F554 WeakPolarHBondContact O-CB 3.42Å; R550-F554 PolarHBondContact O-N 3.11Å
551L87.6Confident81.6Confident3 Ų345.6 Ų45.62%0.01621%0.212CC..Hα-helixtrans-63.7-45.5176-176.564.5000110.7I312 Y323 L325 Y547 G548 R549 F554 V555I312-L551 HydrophobicContact CD1-CB 4.45Å; I312-L551 HydrophobicContact CD1-CD2 4.31Å; Y323-L551 HydrophobicContact CD2-CD2 3.87Å; Y323-L551 HydrophobicContact CE2-CD2 3.63Å; L325-L551 HydrophobicContact CB-CD1 4.3Å; Y547-L551 PolarHBondContact O-N 2.57Å; G548-L551 PolarHBondContact O-N 2.97Å; R549-L551 VanDerWaalsContact C-N 3.34Å; R549-L551 PolarHBondContact O-N 3.23Å; L551-F554 PolarHBondContact O-N 3.26Å; L551-V555 HydrophobicContact CD1-CG2 4.25Å; L551-V555 HydrophobicContact CG-CG2 4.39Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.2Å
552L89.1Confident83.1Confident33 Ų3346.9 Ų46.917%0.17322%0.215CC..Hα-helixtrans-60-50.8178.8-175.467.6000112.2L305 L308 E309 I312 G548 R549 F554 V555 E556L305-L552 HydrophobicContact CD2-CD1 4.36Å; L308-L552 HydrophobicContact CD2-CD1 4.05Å; L308-L552 HydrophobicContact CG-CD1 4.16Å; E309-L552 HydrophobicContact CG-CD1 3.72Å; E309-L552 HydrophobicContact CG-CD2 3.56Å; E309-L552 HydrophobicContact CG-CG 4.29Å; I312-L552 HydrophobicContact CD1-CB 4.03Å; G548-L552 PolarHBondContact O-N 3.25Å; R549-L552 PolarHBondContact O-N 3.33Å; L552-F554 VanDerWaalsContact C-N 3.26Å; L552-F554 PolarHBondContact O-N 3.26Å; L552-V555 PolarHBondContact O-N 2.99Å; L552-E556 PolarHBondContact O-N 2.84Å
553E86.7Confident84.2Confident72 Ų7248.4 Ų48.434%0.33622%0.221SC..Hα-helixtrans-59.6-36.9177.3-73.3175.5-168.800112.2R549 Q557R549-E553 WeakPolarHBondContact O-CG 3.29Å; R549-E553 PolarHBondContact O-N 3.14Å; E553-Q557 VanDerWaalsContact O-CG 3.31Å; E553-Q557 WeakPolarHBondContact O-CG 3.25Å; E553-Q557 PolarHBondContact O-N 3.28Å; E553-Q557 PolarHBondContact O-NE2 3.01Å
554F84.9Confident84.8Confident2 Ų244.8 Ų44.81%0.00921%0.205CC..Hα-helixtrans-67.8-46.3177.5178.7-109.6000111.3L201 N203 Y206 F287 L288 R550 L551 L552 Q557 C558L201-F554 HydrophobicContact CB-CE1 4.12Å; L201-F554 HydrophobicContact CD1-CE1 3.99Å; L201-F554 HydrophobicContact CD2-CE1 4.16Å; L201-F554 HydrophobicContact CG-CE1 4.3Å; N203-F554 HydrophobicContact CB-CD1 3.85Å; N203-F554 HydrophobicContact CB-CD2 4.03Å; N203-F554 HydrophobicContact CB-CE1 3.83Å; N203-F554 HydrophobicContact CB-CE2 4.03Å; N203-F554 HydrophobicContact CB-CG 3.95Å; N203-F554 HydrophobicContact CB-CZ 3.93Å; N203-F554 WeakPolarHBondContact ND2-CE2 3.3Å; Y206-F554 HydrophobicContact CD2-CD2 4.42Å; F287-F554 HydrophobicContact CD1-CZ 4.5Å; L288-F554 HydrophobicContact CD1-CE2 4.36Å; L288-F554 HydrophobicContact CD2-CE2 4.16Å; L288-F554 HydrophobicContact CG-CE2 4.3Å; R550-F554 VanDerWaalsContact O-CB 3.28Å; R550-F554 WeakPolarHBondContact O-CB 3.42Å; R550-F554 PolarHBondContact O-N 3.11Å; L551-F554 PolarHBondContact O-N 3.26Å; L552-F554 VanDerWaalsContact C-N 3.26Å; L552-F554 PolarHBondContact O-N 3.26Å; F554-Q557 PolarHBondContact O-N 3.25Å; F554-C558 PolarHBondContact O-N 3.1Å; F554-C558 PolarHBondContact O-SG 3.25Å
555V87.2Confident85Confident3 Ų347.4 Ų47.42%0.01822%0.217CC..Hα-helixtrans-64.6-41.9-179.6172.70000111.2L305 L308 L325 L551 L552 Q557 C558 I559L305-V555 HydrophobicContact CD2-CG1 4.37Å; L308-V555 HydrophobicContact CD2-CB 3.98Å; L308-V555 HydrophobicContact CD2-CG1 3.72Å; L308-V555 HydrophobicContact CD2-CG2 4.09Å; L325-V555 HydrophobicContact CD2-CG1 4.24Å; L325-V555 HydrophobicContact CD2-CG2 3.48Å; L325-V555 VanDerWaalsContact CD2-CG2 3.48Å; L551-V555 HydrophobicContact CD1-CG2 4.25Å; L551-V555 HydrophobicContact CG-CG2 4.39Å; L551-V555 WeakPolarHBondContact O-CG2 3.4Å; L551-V555 PolarHBondContact O-N 3.2Å; L552-V555 PolarHBondContact O-N 2.99Å; V555-Q557 PolarHBondContact O-N 3.49Å; V555-C558 WeakPolarHBondContact O-CB 3.49Å; V555-C558 PolarHBondContact O-N 3.07Å; V555-I559 HydrophobicContact CG1-CD1 3.82Å; V555-I559 VanDerWaalsContact O-CD1 3.31Å; V555-I559 WeakPolarHBondContact O-CD1 3.39Å; V555-I559 WeakPolarHBondContact O-CG1 3.32Å; V555-I559 PolarHBondContact O-N 3.29Å
556E87.3Confident85.3Confident109 Ų10945.5 Ų45.551%0.50921%0.208SC..Hα-helixtrans-56-37.6176.7-172.6178.8-166.300112.3L305 L552L305-E556 HydrophobicContact CD1-CG 4.36Å; L305-E556 HydrophobicContact CD2-CB 4.43Å; L552-E556 PolarHBondContact O-N 2.84Å
557Q83.6Confident85.5Confident83 Ų8341.6 Ų41.639%0.38819%0.191SC..Hα-helixtrans-78.7-20.1177.7-66.2170.327.300114.2Y206 E553 F554 V555 I559Y206-Q557 VanDerWaalsContact CE2-OE1 3.26Å; Y206-Q557 PolarHBondContact OH-NE2 3.41Å; Y206-Q557 PolarHBondContact OH-OE1 3.42Å; E553-Q557 VanDerWaalsContact O-CG 3.31Å; E553-Q557 WeakPolarHBondContact O-CG 3.25Å; E553-Q557 PolarHBondContact O-N 3.28Å; E553-Q557 PolarHBondContact O-NE2 3.01Å; F554-Q557 PolarHBondContact O-N 3.25Å; V555-Q557 PolarHBondContact O-N 3.49Å; Q557-I559 VanDerWaalsContact C-N 3.27Å
558C83.9Confident85.6Confident8 Ų844.2 Ų44.25%0.05420%0.204CC..Hα-helixtrans-80.2-11.8178.1-66.10000112.4F287 K293 M294 F554 V555F287-C558 HydrophobicContact CE1-CB 3.58Å; F287-C558 WeakPolarHBondContact CE1-SG 3.3Å; F287-C558 HydrophobicContact CZ-CB 3.92Å; K293-C558 WeakPolarHBondContact CA-O 3.36Å; M294-C558 PolarHBondContact N-O 3.29Å; F554-C558 PolarHBondContact O-N 3.1Å; F554-C558 PolarHBondContact O-SG 3.25Å; V555-C558 WeakPolarHBondContact O-CB 3.49Å; V555-C558 PolarHBondContact O-N 3.07Å
559I84.9Confident85.6Confident3 Ų347.9 Ų47.92%0.01522%0.221CC..BIsolated β-bridgetrans-108.2121-176.6-53.9151.7000109.1M294 I296 K301 M304 L305 V555 Q557M294-I559 HydrophobicContact CB-CG1 4.34Å; M294-I559 WeakPolarHBondContact O-CA 3.25Å; M294-I559 WeakPolarHBondContact O-CG2 3.5Å; M294-I559 HydrophobicContact SD-CG1 4.48Å; I296-I559 HydrophobicContact CB-CG2 4.19Å; I296-I559 HydrophobicContact CD1-CG2 4.45Å; K301-I559 HydrophobicContact CB-CG2 4.34Å; K301-I559 HydrophobicContact CD-CG2 3.75Å; K301-I559 HydrophobicContact CG-CG2 3.86Å; K301-I559 PolarHBondContact NZ-O 3.05Å; M304-I559 HydrophobicContact CE-CD1 3.12Å; M304-I559 HydrophobicContact CE-CG1 3.83Å; L305-I559 HydrophobicContact CD2-CD1 4.11Å; L305-I559 HydrophobicContact CG-CD1 4.48Å; V555-I559 HydrophobicContact CG1-CD1 3.82Å; V555-I559 VanDerWaalsContact O-CD1 3.31Å; V555-I559 WeakPolarHBondContact O-CD1 3.39Å; V555-I559 WeakPolarHBondContact O-CG1 3.32Å; V555-I559 PolarHBondContact O-N 3.29Å; Q557-I559 VanDerWaalsContact C-N 3.27Å
560D80.3Confident85.5Confident96 Ų9641.5 Ų41.551%0.51320%0.2SC..  trans-83.90167.8-93-2.2000109.9K293 M294 K301K293-D560 HydrophobicContact CB-CB 4.44Å; K293-D560 HydrophobicContact CD-CB 4.24Å; K293-D560 VanDerWaalsContact CD-OD1 3.24Å; K293-D560 WeakPolarHBondContact CD-OD1 3.5Å; K293-D560 WeakPolarHBondContact CD-OD2 3.15Å; K293-D560 WeakPolarHBondContact CE-OD1 3.13Å; K293-D560 WeakPolarHBondContact CE-OD2 3.44Å; K293-D560 IonicContact NZ-OD1 2.77Å; K293-D560 PolarHBondContact NZ-OD1 3.4Å; K293-D560 IonicContact NZ-OD2 3.53Å; K293-D560 PolarHBondContact NZ-OD2 3.32Å; M294-D560 PolarHBondContact O-N 3.35Å; K301-D560 PolarHBondContact NZ-OXT 3.19Å

Retrieved 560 of 560 residues in 144.5 ms (Link to these results)

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