A0A087X6X7_POEFO Loading...

Protein FAM65A-like

AlphaFold DB , UniProt , Accession A0A087X6X7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 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
1M34.1Very low36.4Very low239 Ų239143.2 Ų143.2100%1.17782%0.815SS**  0123.80-63.8165.6-177.800106.4
2F30.3Very low39.3Very low215 Ų215138.4 Ų138.494%0.94378%0.778SS**  trans-101.5114.4176.9-81.5-84.2000109G4F2-G4 VanDerWaalsContact C-N 3.32Å; F2-G4 PolarHBondContact O-N 2.89Å
3T34.4Very low42.9Very low142 Ų142135.5 Ų135.587%0.87177%0.765SS**  trans-7785.9169.948.60000108.5S5T3-S5 PolarHBondContact O-N 3.08Å; T3-S5 VanDerWaalsContact O-N 3.1Å
4G28.6Very low46.5Very low66 Ų66127.1 Ų127.168%0.6872%0.72SS**  trans-61.6110.8174.200000109.9F2 T6F2-G4 VanDerWaalsContact C-N 3.32Å; F2-G4 PolarHBondContact O-N 2.89Å; G4-T6 PolarHBondContact O-N 2.99Å
5S31Very low49.6Very low110 Ų110123.9 Ų123.977%0.76970%0.696SS**  trans-74.294.5172.7-175.90000108.5T3 K7T3-S5 PolarHBondContact O-N 3.08Å; T3-S5 VanDerWaalsContact O-N 3.1Å; S5-K7 PolarHBondContact O-N 2.98Å
6T31.2Very low52.4Low126 Ų126116.6 Ų116.677%0.77366%0.655SS**  trans-66.481.8164.2190000108.8G4 L8G4-T6 PolarHBondContact O-N 2.99Å; T6-L8 VanDerWaalsContact C-N 3.25Å; T6-L8 PolarHBondContact O-N 3.48Å
7K35.9Very low54.9Low195 Ų195116.6 Ų116.685%0.84865%0.649SS**  trans-58.8101.8147.6-84.2-169.8173.2-173.30106.2S5S5-K7 PolarHBondContact O-N 2.98Å
8L37.4Very low57.1Low148 Ų148112.1 Ų112.178%0.77562%0.62SS**PPolyproline II helixtrans-48.7145.1159.8-67.4168.4000107.8T6T6-L8 VanDerWaalsContact C-N 3.25Å; T6-L8 PolarHBondContact O-N 3.48Å
9P41Very low59.2Low91 Ų91106.3 Ų106.359%0.59159%0.588SS**PPolyproline II helixtrans-53.514916727-34.4000108.5T11P9-T11 PolarHBondContact O-N 2.73Å; P9-T11 VanDerWaalsContact O-N 3.16Å
10P42.2Very low61.1Low123 Ų123102.9 Ų102.980%0.79957%0.569SS**PPolyproline II helixtrans-51.3130172.224.5-33.5000107.9K12P10-K12 PolarHBondContact O-N 3.04Å; P10-K12 VanDerWaalsContact O-N 3.16Å
11T53.9Low62.8Low120 Ų120102.7 Ų102.774%0.73656%0.564SS**PPolyproline II helixtrans-48.9123.5-179.744.70000108.5P9 T13P9-T11 PolarHBondContact O-N 2.73Å; P9-T11 VanDerWaalsContact O-N 3.16Å; T11-T13 PolarHBondContact O-N 3.12Å; T11-T13 VanDerWaalsContact O-N 3.09Å
12K71.1Confident65.9Low86 Ų8691.3 Ų91.337%0.37451%0.508SS..PPolyproline II helixtrans-47.4124.9167.6-88.6-170.7171.3-173.60105.3P10 C136 N140 E143P10-K12 PolarHBondContact O-N 3.04Å; P10-K12 VanDerWaalsContact O-N 3.16Å; K12-C136 PolarHBondContact O-SG 3.27Å; K12-N140 PolarHBondContact NZ-OD1 3.07Å; K12-E143 IonicContact NZ-OE1 2.77Å; K12-E143 IonicContact NZ-OE2 3.97Å; K12-E143 PolarHBondContact NZ-OE2 2.96Å
13T86.6Confident69.1Low100 Ų10082.1 Ų82.161%0.61347%0.467SS*.PPolyproline II helixtrans-80.2132.3161.447.80000106.2T11T11-T13 PolarHBondContact O-N 3.12Å; T11-T13 VanDerWaalsContact O-N 3.09Å
14P92.7Very high72.1Confident19 Ų1978.1 Ų78.112%0.12345%0.448CS..PPolyproline II helixtrans-60.9150.517727.5-33.4000109.7P16 T132 M135 C136 E139P14-P16 WeakPolarHBondContact O-CD 3.4Å; P14-T132 HydrophobicContact CG-CG2 4.04Å; P14-M135 HydrophobicContact CB-CB 3.82Å; P14-M135 HydrophobicContact CB-CE 4.36Å; P14-M135 HydrophobicContact CG-CB 4.21Å; P14-M135 HydrophobicContact CG-SD 4.44Å; P14-C136 VanDerWaalsContact CD-SG 3.52Å; P14-E139 WeakPolarHBondContact CA-OE1 3.26Å; P14-E139 WeakPolarHBondContact CB-OE1 3.41Å
15Q93Very high75.4Confident79 Ų7975.7 Ų75.737%0.36942%0.421SS..  trans-124.576.3-179-62.5-171.138.600110.2E17 R18 L19 E139 T208Q15-E17 PolarHBondContact O-N 3.39Å; Q15-R18 HydrophobicContact CB-CB 3.94Å; Q15-R18 WeakPolarHBondContact O-CB 3.19Å; Q15-R18 PolarHBondContact O-N 3.06Å; Q15-R18 VanDerWaalsContact O-N 3.11Å; Q15-L19 PolarHBondContact O-N 2.82Å; Q15-E139 PolarHBondContact N-OE1 2.85Å; Q15-T208 HydrophobicContact CB-CG2 4.06Å; Q15-T208 HydrophobicContact CG-CG2 3.98Å
16P94.4Very high78.6Confident6 Ų670.4 Ų70.44%0.03939%0.385CS..Hα-helixtrans-61.2-46.1-170.2-22.233.5000113.2P14 R18 L19 D20 Y91 R95 M135P14-P16 WeakPolarHBondContact O-CD 3.4Å; P16-R18 PolarHBondContact O-N 3.09Å; P16-R18 VanDerWaalsContact O-N 3.15Å; P16-L19 WeakPolarHBondContact O-CA 3.23Å; P16-L19 WeakPolarHBondContact O-CB 3.46Å; P16-L19 PolarHBondContact O-N 3.1Å; P16-D20 PolarHBondContact O-N 2.89Å; P16-Y91 WeakPolarHBondContact CA-OH 3.18Å; P16-Y91 HydrophobicContact CB-CE1 3.93Å; P16-Y91 HydrophobicContact CG-CE1 4.46Å; P16-Y91 WeakPolarHBondContact CG-OH 3.49Å; P16-R95 HydrophobicContact CB-CG 4.47Å; P16-R95 VanDerWaalsContact CB-NE 3.31Å; P16-M135 HydrophobicContact CB-CE 4.43Å; P16-M135 HydrophobicContact CG-CE 3.79Å
17E94.9Very high81.8Confident117 Ų11768.6 Ų68.655%0.54736%0.364SS..Hα-helixtrans-61.3-29.5-179.3-62.164.9-135.700111.3Q15 D20 E21 R95Q15-E17 PolarHBondContact O-N 3.39Å; E17-D20 WeakPolarHBondContact CA-OD2 3.45Å; E17-E21 WeakPolarHBondContact O-CG 3.47Å; E17-E21 PolarHBondContact O-N 3.21Å; E17-R95 IonicContact OE1-CZ 3.8Å; E17-R95 IonicContact OE1-NH2 3.38Å; E17-R95 PolarHBondContact OE1-NH2 3.03Å
18R95.2Very high84.7Confident35 Ų3565.4 Ų65.413%0.13235%0.35CS..Hα-helixtrans-80.8-33.2175-176.853.6-179.1-1760.2112.7Q15 P16 D20 E21 V22 V207 E233Q15-R18 HydrophobicContact CB-CB 3.94Å; Q15-R18 WeakPolarHBondContact O-CB 3.19Å; Q15-R18 PolarHBondContact O-N 3.06Å; Q15-R18 VanDerWaalsContact O-N 3.11Å; P16-R18 PolarHBondContact O-N 3.09Å; P16-R18 VanDerWaalsContact O-N 3.15Å; R18-D20 VanDerWaalsContact C-N 3.34Å; R18-E21 WeakPolarHBondContact CD-OE2 3.49Å; R18-E21 IonicContact CZ-OE2 2.68Å; R18-E21 IonicContact NE-OE2 3.95Å; R18-E21 IonicContact NH1-OE2 3.73Å; R18-E21 PolarHBondContact NH1-OE2 2.63Å; R18-V22 WeakPolarHBondContact O-CB 3.25Å; R18-V22 WeakPolarHBondContact O-CG2 3.49Å; R18-V22 PolarHBondContact O-N 2.93Å; R18-V22 VanDerWaalsContact O-N 3.13Å; R18-V207 HydrophobicContact CG-CG1 4.01Å; R18-V207 WeakPolarHBondContact CG-O 3.37Å; R18-V207 PolarHBondContact NE-O 2.82Å; R18-E233 IonicContact CZ-OE1 3.17Å; R18-E233 IonicContact NH1-OE1 3.94Å; R18-E233 PolarHBondContact NH1-OE1 3.28Å; R18-E233 IonicContact NH2-OE1 2.76Å; R18-E233 PolarHBondContact NH2-OE1 3.17Å
19L96.6Very high87.5Confident2 Ų258.3 Ų58.31%0.0131%0.313CS..Hα-helixtrans-66.9-39172.6-161.572.6000111Q15 P16 E21 V22 Y23 Y91 E139 L142 V207Q15-L19 PolarHBondContact O-N 2.82Å; P16-L19 WeakPolarHBondContact O-CA 3.23Å; P16-L19 WeakPolarHBondContact O-CB 3.46Å; P16-L19 PolarHBondContact O-N 3.1Å; L19-E21 PolarHBondContact O-N 3.17Å; L19-V22 PolarHBondContact O-N 3.05Å; L19-Y23 VanDerWaalsContact O-CB 3.32Å; L19-Y23 WeakPolarHBondContact O-CB 3.45Å; L19-Y23 PolarHBondContact O-N 2.66Å; L19-Y91 HydrophobicContact CB-CE1 4.2Å; L19-Y91 HydrophobicContact CD2-CD1 3.42Å; L19-Y91 VanDerWaalsContact CD2-CD1 3.42Å; L19-Y91 HydrophobicContact CD2-CD2 3.57Å; L19-Y91 HydrophobicContact CD2-CE1 3.51Å; L19-Y91 HydrophobicContact CD2-CE2 3.65Å; L19-Y91 HydrophobicContact CD2-CG 3.42Å; L19-Y91 VanDerWaalsContact CD2-CG 3.42Å; L19-Y91 HydrophobicContact CG-CE1 4.48Å; L19-E139 HydrophobicContact CD1-CG 4.14Å; L19-E139 HydrophobicContact CD2-CG 4.23Å; L19-L142 HydrophobicContact CD1-CB 4.37Å; L19-L142 HydrophobicContact CD1-CD2 3.46Å; L19-L142 VanDerWaalsContact CD1-CD2 3.46Å; L19-L142 HydrophobicContact CD2-CD2 4.44Å; L19-L142 HydrophobicContact CG-CD2 3.97Å; L19-V207 HydrophobicContact CB-CG1 4.42Å; L19-V207 HydrophobicContact CD1-CB 4.29Å; L19-V207 HydrophobicContact CD1-CG1 3.76Å; L19-V207 HydrophobicContact CD1-CG2 3.48Å; L19-V207 VanDerWaalsContact CD1-CG2 3.48Å
20D97.6Very high90.2Very high38 Ų3854 Ų5420%0.20329%0.285CS..Hα-helixtrans-55.9-48.1176.1-56.5-25.7000111P16 E17 R18 A24 Y88 R95P16-D20 PolarHBondContact O-N 2.89Å; E17-D20 WeakPolarHBondContact CA-OD2 3.45Å; R18-D20 VanDerWaalsContact C-N 3.34Å; D20-A24 WeakPolarHBondContact O-CB 3.33Å; D20-A24 PolarHBondContact O-N 3.39Å; D20-A24 VanDerWaalsContact O-N 3.14Å; D20-Y88 PolarHBondContact OD1-OH 2.96Å; D20-R95 IonicContact OD1-CZ 3.04Å; D20-R95 IonicContact OD1-NH1 2.71Å; D20-R95 PolarHBondContact OD1-NH1 3.25Å; D20-R95 IonicContact OD2-CZ 3.83Å; D20-R95 IonicContact OD2-NH1 2.67Å; D20-R95 PolarHBondContact OD2-NH1 2.89Å; D20-R95 IonicContact OD2-NH2 3.26Å; D20-R95 PolarHBondContact OD2-NH2 2.88Å
21E97.4Very high92.8Very high99 Ų9952.3 Ų52.346%0.46327%0.266SS..Hα-helixtrans-60.7-45.9174.4-69.2172.1167.300112.7E17 R18 L19 A25 L235E17-E21 WeakPolarHBondContact O-CG 3.47Å; E17-E21 PolarHBondContact O-N 3.21Å; R18-E21 WeakPolarHBondContact CD-OE2 3.49Å; R18-E21 IonicContact CZ-OE2 2.68Å; R18-E21 IonicContact NE-OE2 3.95Å; R18-E21 IonicContact NH1-OE2 3.73Å; R18-E21 PolarHBondContact NH1-OE2 2.63Å; L19-E21 PolarHBondContact O-N 3.17Å; E21-A25 PolarHBondContact O-N 3.12Å; E21-A25 VanDerWaalsContact O-N 3.15Å; E21-L235 HydrophobicContact CB-CD1 4.02Å
22V97.4Very high94.8Very high0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-67.1-46.2-176.7164.30000111.7R18 L19 A25 L26 M146 V207 L235R18-V22 WeakPolarHBondContact O-CB 3.25Å; R18-V22 WeakPolarHBondContact O-CG2 3.49Å; R18-V22 PolarHBondContact O-N 2.93Å; R18-V22 VanDerWaalsContact O-N 3.13Å; L19-V22 PolarHBondContact O-N 3.05Å; V22-A25 PolarHBondContact O-N 3.37Å; V22-L26 WeakPolarHBondContact O-CB 3.14Å; V22-L26 PolarHBondContact O-N 3.45Å; V22-M146 HydrophobicContact CG1-CE 3.3Å; V22-M146 HydrophobicContact CG1-SD 3.83Å; V22-V207 HydrophobicContact CG1-CG2 4.04Å; V22-V207 HydrophobicContact CG2-CB 4.44Å; V22-V207 HydrophobicContact CG2-CG1 4.22Å; V22-L235 HydrophobicContact CB-CD2 4.41Å; V22-L235 HydrophobicContact CG2-CD2 3.77Å
23Y98.2Very high95.8Very high23 Ų2344.7 Ų44.79%0.0923%0.226CC..Hα-helixtrans-60.7-46.2176.4163.1-109.2000111.1L19 A25 L26 R27 V84 E85 Y88L19-Y23 VanDerWaalsContact O-CB 3.32Å; L19-Y23 WeakPolarHBondContact O-CB 3.45Å; L19-Y23 PolarHBondContact O-N 2.66Å; Y23-A25 VanDerWaalsContact C-N 3.29Å; Y23-A25 PolarHBondContact O-N 3.14Å; Y23-L26 PolarHBondContact O-N 2.76Å; Y23-R27 HydrophobicContact CE2-CB 4.35Å; Y23-R27 WeakPolarHBondContact O-CB 3.47Å; Y23-R27 PolarHBondContact O-N 2.8Å; Y23-R27 PolarHBondContact OH-NH1 3.2Å; Y23-V84 HydrophobicContact CD2-CG1 3.93Å; Y23-V84 HydrophobicContact CE2-CG1 4.06Å; Y23-E85 HydrophobicContact CE2-CG 4.28Å; Y23-Y88 AromaticContact CD1-CD1 3.6Å; Y23-Y88 HydrophobicContact CD1-CD1 3.6Å; Y23-Y88 AromaticContact CD1-CD2 3.46Å; Y23-Y88 HydrophobicContact CD1-CD2 3.46Å; Y23-Y88 VanDerWaalsContact CD1-CD2 3.46Å; Y23-Y88 AromaticContact CD1-CE1 3.6Å; Y23-Y88 HydrophobicContact CD1-CE1 3.6Å; Y23-Y88 AromaticContact CD1-CE2 3.46Å; Y23-Y88 HydrophobicContact CD1-CE2 3.46Å; Y23-Y88 VanDerWaalsContact CD1-CE2 3.46Å; Y23-Y88 AromaticContact CD1-CG 3.5Å; Y23-Y88 HydrophobicContact CD1-CG 3.5Å; Y23-Y88 AromaticContact CD1-CZ 3.52Å; Y23-Y88 HydrophobicContact CD2-CD1 4.29Å; Y23-Y88 AromaticContact CD2-CD2 3.93Å; Y23-Y88 HydrophobicContact CD2-CD2 3.93Å; Y23-Y88 AromaticContact CD2-CG 3.66Å; Y23-Y88 HydrophobicContact CD2-CG 3.66Å; Y23-Y88 AromaticContact CE1-CD1 3.25Å; Y23-Y88 HydrophobicContact CE1-CD1 3.25Å; Y23-Y88 HydrophobicContact CE1-CD2 4.04Å; Y23-Y88 AromaticContact CE1-CE1 3.35Å; Y23-Y88 HydrophobicContact CE1-CE1 3.35Å; Y23-Y88 HydrophobicContact CE1-CE2 4.13Å; Y23-Y88 AromaticContact CE1-CG 3.6Å; Y23-Y88 HydrophobicContact CE1-CG 3.6Å; Y23-Y88 AromaticContact CE1-CZ 3.79Å; Y23-Y88 HydrophobicContact CE2-CD1 4.03Å; Y23-Y88 HydrophobicContact CE2-CD2 4.48Å; Y23-Y88 AromaticContact CE2-CG 3.78Å; Y23-Y88 HydrophobicContact CE2-CG 3.78Å; Y23-Y88 HydrophobicContact CG-CD1 4.08Å; Y23-Y88 AromaticContact CG-CD2 3.36Å; Y23-Y88 HydrophobicContact CG-CD2 3.36Å; Y23-Y88 HydrophobicContact CG-CE1 4.44Å; Y23-Y88 AromaticContact CG-CE2 3.79Å; Y23-Y88 HydrophobicContact CG-CE2 3.79Å; Y23-Y88 AromaticContact CG-CG 3.5Å; Y23-Y88 HydrophobicContact CG-CG 3.5Å; Y23-Y88 AromaticContact CZ-CD1 3.47Å; Y23-Y88 VanDerWaalsContact CZ-CD1 3.47Å; Y23-Y88 AromaticContact CZ-CG 3.71Å
24A98.2Very high96.2Very high57 Ų5741 Ų4147%0.47120%0.202SC..Hα-helixtrans-58.9-40.7177.900000112.3D20 K28D20-A24 WeakPolarHBondContact O-CB 3.33Å; D20-A24 PolarHBondContact O-N 3.39Å; D20-A24 VanDerWaalsContact O-N 3.14Å; A24-K28 VanDerWaalsContact O-CB 3.22Å; A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 3Å; A24-K28 VanDerWaalsContact O-N 3.14Å
25A97.6Very high96.3Very high15 Ų1544.1 Ų44.112%0.12422%0.215CC..Hα-helixtrans-69.2-45.3176.600000112.7E21 V22 Y23 K28 G29 L235 F238E21-A25 PolarHBondContact O-N 3.12Å; E21-A25 VanDerWaalsContact O-N 3.15Å; V22-A25 PolarHBondContact O-N 3.37Å; Y23-A25 VanDerWaalsContact C-N 3.29Å; Y23-A25 PolarHBondContact O-N 3.14Å; A25-K28 PolarHBondContact O-N 2.95Å; A25-G29 PolarHBondContact O-N 2.9Å; A25-L235 HydrophobicContact CB-CB 3.88Å; A25-L235 HydrophobicContact CB-CD2 4.1Å; A25-L235 HydrophobicContact CB-CG 4.42Å; A25-F238 HydrophobicContact CB-CD2 3.84Å; A25-F238 WeakPolarHBondContact O-CB 3.21Å
26L98Very high96.1Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-61.8-48.5177.5178.661.4000111.6V22 Y23 K28 G29 L30 V84 M146 F238 W263V22-L26 WeakPolarHBondContact O-CB 3.14Å; V22-L26 PolarHBondContact O-N 3.45Å; Y23-L26 PolarHBondContact O-N 2.76Å; L26-K28 PolarHBondContact O-N 3.41Å; L26-G29 WeakPolarHBondContact O-CA 3.38Å; L26-G29 PolarHBondContact O-N 2.9Å; L26-G29 VanDerWaalsContact O-N 3.09Å; L26-L30 HydrophobicContact CD1-CD1 4.41Å; L26-L30 HydrophobicContact CD1-CG 4.38Å; L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 PolarHBondContact O-N 3.48Å; L26-V84 HydrophobicContact CD2-CB 4.46Å; L26-V84 HydrophobicContact CD2-CG1 3.73Å; L26-V84 HydrophobicContact CD2-CG2 3.81Å; L26-V84 HydrophobicContact CG-CG1 4.16Å; L26-M146 HydrophobicContact CD2-CG 3.94Å; L26-F238 HydrophobicContact CD1-CD1 4.03Å; L26-F238 HydrophobicContact CD1-CE1 4Å; L26-W263 HydrophobicContact CD1-CH2 4.05Å; L26-W263 HydrophobicContact CD1-CZ2 3.58Å
27R98.1Very high95.9Very high88 Ų8840.2 Ų40.233%0.33220%0.196SC..Hα-helixtrans-57-49.9177.7-169.6-179.9-167.4179.25.4111.3Y23 G29 L30 Q31 L81 E85Y23-R27 HydrophobicContact CE2-CB 4.35Å; Y23-R27 WeakPolarHBondContact O-CB 3.47Å; Y23-R27 PolarHBondContact O-N 2.8Å; Y23-R27 PolarHBondContact OH-NH1 3.2Å; R27-G29 VanDerWaalsContact C-N 3.28Å; R27-G29 PolarHBondContact O-N 3.12Å; R27-L30 PolarHBondContact O-N 3.32Å; R27-Q31 WeakPolarHBondContact O-CB 3.31Å; R27-Q31 VanDerWaalsContact O-CG 3.31Å; R27-Q31 WeakPolarHBondContact O-CG 3.21Å; R27-Q31 PolarHBondContact O-N 3.13Å; R27-L81 HydrophobicContact CG-CD1 3.83Å; R27-E85 IonicContact CZ-OE1 3.41Å; R27-E85 IonicContact NE-OE1 3.56Å; R27-E85 PolarHBondContact NE-OE1 2.99Å; R27-E85 IonicContact NH2-OE1 2.92Å; R27-E85 PolarHBondContact NH2-OE1 3.3Å; R27-E85 IonicContact NH2-OE2 2.61Å
28K97.4Very high95.9Very high127 Ų12738.6 Ų38.655%0.55219%0.189SC*.Hα-helixtrans-58.2-39.3174.8-179.7-177.8176.9-174.70111.9A24 A25 L26 S32A24-K28 VanDerWaalsContact O-CB 3.22Å; A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 3Å; A24-K28 VanDerWaalsContact O-N 3.14Å; A25-K28 PolarHBondContact O-N 2.95Å; L26-K28 PolarHBondContact O-N 3.41Å; K28-S32 VanDerWaalsContact O-CB 3.31Å; K28-S32 WeakPolarHBondContact O-CB 3.47Å; K28-S32 PolarHBondContact O-N 2.96Å; K28-S32 PolarHBondContact O-OG 3.07Å
29G96.3Very high95.6Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-65.3-47.2176.500000113.4A25 L26 R27 S32 Y33 F238A25-G29 PolarHBondContact O-N 2.9Å; L26-G29 WeakPolarHBondContact O-CA 3.38Å; L26-G29 PolarHBondContact O-N 2.9Å; L26-G29 VanDerWaalsContact O-N 3.09Å; R27-G29 VanDerWaalsContact C-N 3.28Å; R27-G29 PolarHBondContact O-N 3.12Å; G29-S32 WeakPolarHBondContact O-CB 3.44Å; G29-S32 PolarHBondContact O-N 2.87Å; G29-Y33 PolarHBondContact O-N 3.13Å; G29-F238 WeakPolarHBondContact CA-O 3.41Å
30L97.2Very high95.2Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-63.4-45.2177.5-69.4175.1000111.5L26 R27 S32 Y33 L34 L77 L81 V84 W263 P265L26-L30 HydrophobicContact CD1-CD1 4.41Å; L26-L30 HydrophobicContact CD1-CG 4.38Å; L26-L30 HydrophobicContact CG-CD1 4.32Å; L26-L30 PolarHBondContact O-N 3.48Å; R27-L30 PolarHBondContact O-N 3.32Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 2.84Å; L30-Y33 WeakPolarHBondContact O-CA 3.2Å; L30-Y33 VanDerWaalsContact O-CB 3.25Å; L30-Y33 WeakPolarHBondContact O-CB 3.33Å; L30-Y33 PolarHBondContact O-N 3.13Å; L30-Y33 VanDerWaalsContact O-N 3.09Å; L30-L34 PolarHBondContact O-N 3.42Å; L30-L77 HydrophobicContact CD2-CD2 4.01Å; L30-L81 HydrophobicContact CB-CB 4.46Å; L30-L81 HydrophobicContact CB-CD1 4.08Å; L30-L81 HydrophobicContact CD1-CB 4.29Å; L30-L81 HydrophobicContact CD1-CD1 4.17Å; L30-V84 HydrophobicContact CD1-CB 4.35Å; L30-V84 HydrophobicContact CD1-CG2 4.12Å; L30-W263 HydrophobicContact CD2-CH2 3.77Å; L30-W263 HydrophobicContact CD2-CZ2 4.19Å; L30-W263 HydrophobicContact CG-CH2 3.99Å; L30-P265 HydrophobicContact CD2-CB 3.68Å
31Q97.3Very high95Very high88 Ų8839.8 Ų39.841%0.41120%0.196SC..Hα-helixtrans-60.5-40.7173.9-70.8173.1-11.100112.1R27 Y33 L34 Q35 L81R27-Q31 WeakPolarHBondContact O-CB 3.31Å; R27-Q31 VanDerWaalsContact O-CG 3.31Å; R27-Q31 WeakPolarHBondContact O-CG 3.21Å; R27-Q31 PolarHBondContact O-N 3.13Å; Q31-Y33 VanDerWaalsContact C-N 3.29Å; Q31-Y33 PolarHBondContact O-N 3.19Å; Q31-L34 PolarHBondContact O-N 2.96Å; Q31-Q35 WeakPolarHBondContact O-CB 3.36Å; Q31-Q35 PolarHBondContact O-N 2.77Å; Q31-L81 HydrophobicContact CG-CD1 4.38Å; Q31-L81 HydrophobicContact CG-CD2 3.85Å
32S94.8Very high94.7Very high26 Ų2638.9 Ų38.918%0.18220%0.195CC..Hα-helixtrans-63.7-34.9174.1-60.20000112.3K28 G29 L30 V36K28-S32 VanDerWaalsContact O-CB 3.31Å; K28-S32 WeakPolarHBondContact O-CB 3.47Å; K28-S32 PolarHBondContact O-N 2.96Å; K28-S32 PolarHBondContact O-OG 3.07Å; G29-S32 WeakPolarHBondContact O-CB 3.44Å; G29-S32 PolarHBondContact O-N 2.87Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 2.84Å; S32-V36 WeakPolarHBondContact O-CB 3.45Å; S32-V36 WeakPolarHBondContact O-CG2 3.47Å; S32-V36 PolarHBondContact O-N 3.02Å
33Y92.4Very high94.4Very high19 Ų1939.9 Ų39.98%0.07520%0.202CC..Hα-helixtrans-64.7-48.3174.7-117.3-69.7000112G29 L30 Q31 V36 H37 F73 L77 P240 W263 P265G29-Y33 PolarHBondContact O-N 3.13Å; L30-Y33 WeakPolarHBondContact O-CA 3.2Å; L30-Y33 VanDerWaalsContact O-CB 3.25Å; L30-Y33 WeakPolarHBondContact O-CB 3.33Å; L30-Y33 PolarHBondContact O-N 3.13Å; L30-Y33 VanDerWaalsContact O-N 3.09Å; Q31-Y33 VanDerWaalsContact C-N 3.29Å; Q31-Y33 PolarHBondContact O-N 3.19Å; Y33-V36 PolarHBondContact O-N 3.01Å; Y33-H37 AromaticContact CD1-CD2 3.89Å; Y33-H37 AromaticContact CD1-NE2 3.82Å; Y33-H37 AromaticContact CE1-NE2 3.94Å; Y33-H37 PolarHBondContact O-CD2 3.41Å; Y33-H37 VanDerWaalsContact O-CD2 3.27Å; Y33-H37 PolarHBondContact O-N 3.46Å; Y33-H37 VanDerWaalsContact O-N 3.16Å; Y33-F73 HydrophobicContact CD1-CE1 4.07Å; Y33-F73 HydrophobicContact CE1-CE1 4.05Å; Y33-F73 HydrophobicContact CE1-CZ 4.31Å; Y33-L77 HydrophobicContact CD1-CD1 4.12Å; Y33-L77 HydrophobicContact CG-CD1 4.34Å; Y33-L77 HydrophobicContact CG-CD2 4.4Å; Y33-P240 HydrophobicContact CD1-CB 3.93Å; Y33-P240 HydrophobicContact CD2-CB 3.83Å; Y33-P240 HydrophobicContact CE1-CB 4.08Å; Y33-P240 HydrophobicContact CE2-CB 3.98Å; Y33-P240 HydrophobicContact CG-CB 3.8Å; Y33-W263 AromaticContact CD2-CE3 3.85Å; Y33-W263 HydrophobicContact CD2-CE3 3.85Å; Y33-W263 HydrophobicContact CD2-CH2 4.39Å; Y33-W263 AromaticContact CD2-CZ3 3.59Å; Y33-W263 HydrophobicContact CD2-CZ3 3.59Å; Y33-W263 HydrophobicContact CE2-CD2 4.4Å; Y33-W263 AromaticContact CE2-CE3 3.64Å; Y33-W263 HydrophobicContact CE2-CE3 3.64Å; Y33-W263 AromaticContact CE2-CZ3 3.89Å; Y33-W263 HydrophobicContact CE2-CZ3 3.89Å; Y33-W263 PolarHBondContact OH-O 3.22Å; Y33-P265 HydrophobicContact CD2-CG 4.05Å; Y33-P265 HydrophobicContact CE2-CG 3.82Å; Y33-P265 HydrophobicContact CG-CG 4.49Å
34L95Very high94Very high24 Ų2439 Ų3913%0.12620%0.199CC..Hα-helixtrans-58.5-48.4175-72.1170000111.2L30 Q31 V36 H37 Q38 M74 L77 E78 L81L30-L34 PolarHBondContact O-N 3.42Å; Q31-L34 PolarHBondContact O-N 2.96Å; L34-V36 PolarHBondContact O-N 3.16Å; L34-H37 PolarHBondContact O-N 2.86Å; L34-H37 VanDerWaalsContact O-N 3.14Å; L34-Q38 PolarHBondContact O-N 3.24Å; L34-M74 HydrophobicContact CD2-CB 4.08Å; L34-M74 HydrophobicContact CD2-CE 4.45Å; L34-M74 HydrophobicContact CD2-CG 4.22Å; L34-L77 HydrophobicContact CD2-CB 3.5Å; L34-L77 VanDerWaalsContact CD2-CB 3.5Å; L34-L77 HydrophobicContact CD2-CD1 4.15Å; L34-L77 HydrophobicContact CG-CB 3.96Å; L34-E78 HydrophobicContact CD1-CG 4.18Å; L34-E78 HydrophobicContact CD2-CG 3.89Å; L34-L81 HydrophobicContact CD1-CD2 3.94Å
35Q94.3Very high93.6Very high84 Ų8437.1 Ų37.139%0.39319%0.185SC..Hα-helixtrans-63.4-39.1-178.8-171.3171.352.600113.2Q31 H37 L39 L302Q31-Q35 WeakPolarHBondContact O-CB 3.36Å; Q31-Q35 PolarHBondContact O-N 2.77Å; Q35-H37 VanDerWaalsContact C-N 3.32Å; Q35-H37 PolarHBondContact O-N 3.24Å; Q35-L39 HydrophobicContact CG-CD1 4.21Å; Q35-L39 WeakPolarHBondContact O-CD1 3.47Å; Q35-L39 VanDerWaalsContact O-CG 3.31Å; Q35-L39 WeakPolarHBondContact O-CG 3.07Å; Q35-L39 PolarHBondContact O-N 3.48Å; Q35-L302 HydrophobicContact CG-CD2 4.42Å
36V89.4Confident93.3Very high1 Ų141.2 Ų41.21%0.00620%0.202CC..Hα-helixtrans-65.6-35.4175165.10000111.7S32 Y33 L34 E40 P240 R295 F299S32-V36 WeakPolarHBondContact O-CB 3.45Å; S32-V36 WeakPolarHBondContact O-CG2 3.47Å; S32-V36 PolarHBondContact O-N 3.02Å; Y33-V36 PolarHBondContact O-N 3.01Å; L34-V36 PolarHBondContact O-N 3.16Å; V36-E40 PolarHBondContact O-N 2.96Å; V36-E40 VanDerWaalsContact O-N 3.14Å; V36-P240 HydrophobicContact CB-CB 4.5Å; V36-P240 HydrophobicContact CB-CG 4.32Å; V36-P240 HydrophobicContact CG2-CB 4.44Å; V36-P240 HydrophobicContact CG2-CG 3.77Å; V36-R295 HydrophobicContact CG1-CG 3.68Å; V36-F299 HydrophobicContact CG2-CD2 4.12Å
37H90.4Very high92.8Very high2 Ų244.3 Ų44.31%0.00922%0.216CC..Hα-helixtrans-79.7-32.6178-78.2-56.3000113.8Y33 L34 Q35 L39 E40 L41 I70 F73 M74Y33-H37 AromaticContact CD1-CD2 3.89Å; Y33-H37 AromaticContact CD1-NE2 3.82Å; Y33-H37 AromaticContact CE1-NE2 3.94Å; Y33-H37 PolarHBondContact O-CD2 3.41Å; Y33-H37 VanDerWaalsContact O-CD2 3.27Å; Y33-H37 PolarHBondContact O-N 3.46Å; Y33-H37 VanDerWaalsContact O-N 3.16Å; L34-H37 PolarHBondContact O-N 2.86Å; L34-H37 VanDerWaalsContact O-N 3.14Å; Q35-H37 VanDerWaalsContact C-N 3.32Å; Q35-H37 PolarHBondContact O-N 3.24Å; H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 3.32Å; H37-E40 IonicContact CE1-OE2 2.69Å; H37-E40 PolarHBondContact CE1-OE2 3.16Å; H37-E40 IonicContact ND1-OE2 2.76Å; H37-E40 PolarHBondContact ND1-OE2 3.14Å; H37-E40 WeakPolarHBondContact O-CA 3.39Å; H37-E40 WeakPolarHBondContact O-CB 3.36Å; H37-E40 PolarHBondContact O-N 2.95Å; H37-E40 VanDerWaalsContact O-N 3.13Å; H37-L41 PolarHBondContact O-N 3.07Å; H37-I70 HydrophobicContact CB-CG2 3.72Å; H37-F73 AromaticContact CD2-CD1 3.79Å; H37-F73 AromaticContact CD2-CE1 3.79Å; H37-F73 AromaticContact NE2-CD1 3.76Å; H37-F73 AromaticContact NE2-CE1 3.54Å; H37-M74 HydrophobicContact CB-CG 3.77Å; H37-M74 HydrophobicContact CB-SD 3.77Å
38Q94.1Very high92.5Very high82 Ų8242.7 Ų42.738%0.38321%0.213SC..Hα-helixtrans-58.4-46.8168.9-178.557.350.500111L34 E40 L41 D42 M74L34-Q38 PolarHBondContact O-N 3.24Å; Q38-E40 PolarHBondContact O-N 3.3Å; Q38-L41 WeakPolarHBondContact O-CB 3.35Å; Q38-L41 PolarHBondContact O-N 2.98Å; Q38-D42 PolarHBondContact NE2-OD1 3.02Å; Q38-D42 VanDerWaalsContact O-CG 3.25Å; Q38-D42 PolarHBondContact O-N 2.91Å; Q38-M74 HydrophobicContact CB-CE 4.1Å
39L89.8Confident92.2Very high45 Ų4543.8 Ų43.824%0.23621%0.214CC..Hα-helixtrans-67.9-23.5177.6-66.2165.9000112.6Q35 H37 S43 V298Q35-L39 HydrophobicContact CG-CD1 4.21Å; Q35-L39 WeakPolarHBondContact O-CD1 3.47Å; Q35-L39 VanDerWaalsContact O-CG 3.31Å; Q35-L39 WeakPolarHBondContact O-CG 3.07Å; Q35-L39 PolarHBondContact O-N 3.48Å; H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 3.32Å; L39-S43 WeakPolarHBondContact O-CB 3.3Å; L39-S43 PolarHBondContact O-N 3.46Å; L39-V298 HydrophobicContact CB-CG1 3.45Å; L39-V298 VanDerWaalsContact CB-CG1 3.45Å; L39-V298 HydrophobicContact CB-CG2 4.36Å; L39-V298 HydrophobicContact CD1-CG1 3.68Å; L39-V298 HydrophobicContact CG-CG1 4.18Å
40E88.3Confident91.8Very high28 Ų2847.8 Ų47.813%0.13123%0.233CC..Hα-helixtrans-70.9-43.1168.2-165.6-17817300111.4V36 H37 Q38 S43 L44 Q66 I70V36-E40 PolarHBondContact O-N 2.96Å; V36-E40 VanDerWaalsContact O-N 3.14Å; H37-E40 IonicContact CE1-OE2 2.69Å; H37-E40 PolarHBondContact CE1-OE2 3.16Å; H37-E40 IonicContact ND1-OE2 2.76Å; H37-E40 PolarHBondContact ND1-OE2 3.14Å; H37-E40 WeakPolarHBondContact O-CA 3.39Å; H37-E40 WeakPolarHBondContact O-CB 3.36Å; H37-E40 PolarHBondContact O-N 2.95Å; H37-E40 VanDerWaalsContact O-N 3.13Å; Q38-E40 PolarHBondContact O-N 3.3Å; E40-S43 WeakPolarHBondContact O-CB 3.4Å; E40-S43 PolarHBondContact O-N 3.38Å; E40-L44 HydrophobicContact CG-CD1 4.17Å; E40-L44 VanDerWaalsContact O-CG 3.26Å; E40-L44 WeakPolarHBondContact O-CG 3.32Å; E40-L44 PolarHBondContact O-N 3.34Å; E40-Q66 PolarHBondContact OE1-NE2 2.9Å; E40-I70 HydrophobicContact CB-CD1 4.4Å; E40-I70 HydrophobicContact CG-CD1 3.81Å; E40-I70 WeakPolarHBondContact OE1-CD1 3.46Å
41L92.4Very high91.4Very high27 Ų2748.5 Ų48.514%0.14124%0.236CC..Hα-helixtrans-61.4-44.8174.4-69.7180000112.2H37 Q38 S43 L44 G45 V67 I70 E71 M74H37-L41 PolarHBondContact O-N 3.07Å; Q38-L41 WeakPolarHBondContact O-CB 3.35Å; Q38-L41 PolarHBondContact O-N 2.98Å; L41-S43 VanDerWaalsContact C-N 3.3Å; L41-S43 PolarHBondContact O-N 2.84Å; L41-L44 PolarHBondContact O-N 3.14Å; L41-G45 PolarHBondContact O-N 3.47Å; L41-V67 HydrophobicContact CD2-CB 4.23Å; L41-V67 HydrophobicContact CD2-CG1 4.06Å; L41-V67 HydrophobicContact CD2-CG2 4.2Å; L41-I70 HydrophobicContact CD1-CG2 4.29Å; L41-I70 HydrophobicContact CD2-CB 3.83Å; L41-I70 HydrophobicContact CD2-CD1 4.27Å; L41-I70 HydrophobicContact CD2-CG2 3.81Å; L41-I70 HydrophobicContact CG-CB 4.4Å; L41-I70 HydrophobicContact CG-CG2 3.81Å; L41-E71 HydrophobicContact CD1-CG 4.15Å; L41-E71 HydrophobicContact CD2-CG 4.26Å; L41-M74 HydrophobicContact CD1-SD 3.62Å; L41-M74 HydrophobicContact CG-SD 4.37Å
42D92.4Very high91Very high80 Ų8052 Ų5243%0.42825%0.251SS..Hα-helixtrans-58.1-44.3177.7-61.6-22.1000111.4Q38 G45 Q46Q38-D42 PolarHBondContact NE2-OD1 3.02Å; Q38-D42 VanDerWaalsContact O-CG 3.25Å; Q38-D42 PolarHBondContact O-N 2.91Å; D42-G45 PolarHBondContact O-N 3.09Å; D42-Q46 PolarHBondContact O-N 3.21Å
43S90.2Very high90.7Very high22 Ų2259.3 Ų59.315%0.15428%0.279CS..Hα-helixtrans-63.1-46175159.90000112.1L39 E40 L41 G45 Q46 Q47 M294L39-S43 WeakPolarHBondContact O-CB 3.3Å; L39-S43 PolarHBondContact O-N 3.46Å; E40-S43 WeakPolarHBondContact O-CB 3.4Å; E40-S43 PolarHBondContact O-N 3.38Å; L41-S43 VanDerWaalsContact C-N 3.3Å; L41-S43 PolarHBondContact O-N 2.84Å; S43-G45 VanDerWaalsContact C-N 3.32Å; S43-G45 PolarHBondContact O-N 3.49Å; S43-Q46 WeakPolarHBondContact O-CB 3.27Å; S43-Q46 PolarHBondContact O-N 2.97Å; S43-Q47 WeakPolarHBondContact O-CG 3.27Å; S43-Q47 PolarHBondContact O-N 2.91Å; S43-M294 WeakPolarHBondContact OG-CE 3.5Å
44L90.5Very high90.4Very high4 Ų463.7 Ų63.72%0.02130%0.304CS..Hα-helixtrans-64-38.3176.2-70.7165.5000111.4E40 L41 Q46 Q47 I48 L63 Q66 V67 I70E40-L44 HydrophobicContact CG-CD1 4.17Å; E40-L44 VanDerWaalsContact O-CG 3.26Å; E40-L44 WeakPolarHBondContact O-CG 3.32Å; E40-L44 PolarHBondContact O-N 3.34Å; L41-L44 PolarHBondContact O-N 3.14Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 2.89Å; L44-Q47 CarbonylContact O-C 3.52Å; L44-Q47 PolarHBondContact O-N 2.92Å; L44-Q47 VanDerWaalsContact O-N 3.15Å; L44-I48 WeakPolarHBondContact O-CB 3.44Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.28Å; L44-I48 PolarHBondContact O-N 3.35Å; L44-L63 HydrophobicContact CD2-CD2 3.49Å; L44-L63 VanDerWaalsContact CD2-CD2 3.49Å; L44-Q66 HydrophobicContact CD1-CB 4.38Å; L44-Q66 HydrophobicContact CD1-CG 3.77Å; L44-Q66 HydrophobicContact CD2-CG 4.34Å; L44-V67 HydrophobicContact CB-CG2 3.73Å; L44-V67 HydrophobicContact CD1-CG2 4.03Å; L44-V67 HydrophobicContact CG-CG2 4.48Å; L44-I70 HydrophobicContact CD1-CD1 3.36Å
45G90.3Very high89.8Confident18 Ų1867.6 Ų67.619%0.18633%0.333CS..Hα-helixtrans-58.8-40.417200000112.6L41 D42 S43 R49L41-G45 PolarHBondContact O-N 3.47Å; D42-G45 PolarHBondContact O-N 3.09Å; S43-G45 VanDerWaalsContact C-N 3.32Å; S43-G45 PolarHBondContact O-N 3.49Å; G45-R49 WeakPolarHBondContact O-CG 3.01Å; G45-R49 PolarHBondContact O-N 3.16Å; G45-R49 VanDerWaalsContact O-N 3.08Å; G45-R49 PolarHBondContact O-NH1 2.7Å
46Q90.4Very high89.3Confident101 Ų10170.3 Ų70.347%0.47234%0.34SS..Hα-helixtrans-63.4-48.1170.9178.8172.8-18.400111.7D42 S43 L44 I48 R49 E50D42-Q46 PolarHBondContact O-N 3.21Å; S43-Q46 WeakPolarHBondContact O-CB 3.27Å; S43-Q46 PolarHBondContact O-N 2.97Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 2.89Å; Q46-I48 VanDerWaalsContact C-N 3.27Å; Q46-I48 PolarHBondContact O-N 3.11Å; Q46-R49 WeakPolarHBondContact O-CB 3.5Å; Q46-R49 PolarHBondContact O-N 3.41Å; Q46-R49 VanDerWaalsContact O-N 3.11Å; Q46-E50 HydrophobicContact CG-CG 4.46Å; Q46-E50 VanDerWaalsContact CG-OE1 3.3Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.37Å; Q46-E50 PolarHBondContact NE2-OE1 2.94Å; Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 3.45Å
47Q88.1Confident89Confident65 Ų6576.8 Ų76.830%0.30437%0.373SS..Hα-helixtrans-61.8-34179-67.2-178.221.300112.5S43 L44 E50 N51 L63S43-Q47 WeakPolarHBondContact O-CG 3.27Å; S43-Q47 PolarHBondContact O-N 2.91Å; L44-Q47 CarbonylContact O-C 3.52Å; L44-Q47 PolarHBondContact O-N 2.92Å; L44-Q47 VanDerWaalsContact O-N 3.15Å; Q47-E50 PolarHBondContact O-N 3.04Å; Q47-N51 WeakPolarHBondContact O-CB 3.49Å; Q47-N51 PolarHBondContact O-N 2.99Å; Q47-N51 PolarHBondContact O-ND2 3.26Å; Q47-L63 HydrophobicContact CB-CD1 4.11Å; Q47-L63 HydrophobicContact CB-CD2 4.21Å
48I90.6Very high88.7Confident53 Ų5379.7 Ų79.727%0.27240%0.404SS..Hα-helixtrans-64.9-47.7172.8-72.7166.8000110.4L44 Q46 E50 N51 K52 L60 L63 V67L44-I48 WeakPolarHBondContact O-CB 3.44Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.28Å; L44-I48 PolarHBondContact O-N 3.35Å; Q46-I48 VanDerWaalsContact C-N 3.27Å; Q46-I48 PolarHBondContact O-N 3.11Å; I48-E50 VanDerWaalsContact C-N 3.28Å; I48-E50 PolarHBondContact O-N 3.44Å; I48-N51 PolarHBondContact O-N 3.41Å; I48-K52 WeakPolarHBondContact O-CB 3.21Å; I48-K52 PolarHBondContact O-N 3.16Å; I48-L60 HydrophobicContact CB-CD2 4.44Å; I48-L60 HydrophobicContact CG2-CD2 4.2Å; I48-L63 HydrophobicContact CD1-CB 4.16Å; I48-L63 HydrophobicContact CG1-CB 3.74Å; I48-L63 HydrophobicContact CG1-CD1 4.05Å; I48-L63 HydrophobicContact CG1-CG 4.46Å; I48-V67 HydrophobicContact CD1-CG2 3.97Å
49R91.3Very high88.3Confident151 Ų15177.6 Ų77.657%0.5740%0.398SS*.Hα-helixtrans-58.8-37.8175.9-70.4-178-63.7-98.86.9112.2G45 Q46 K53G45-R49 WeakPolarHBondContact O-CG 3.01Å; G45-R49 PolarHBondContact O-N 3.16Å; G45-R49 VanDerWaalsContact O-N 3.08Å; G45-R49 PolarHBondContact O-NH1 2.7Å; Q46-R49 WeakPolarHBondContact O-CB 3.5Å; Q46-R49 PolarHBondContact O-N 3.41Å; Q46-R49 VanDerWaalsContact O-N 3.11Å; R49-K53 WeakPolarHBondContact O-CG 3.4Å; R49-K53 PolarHBondContact O-N 2.97Å
50E89Confident88.2Confident84 Ų8477.2 Ų77.239%0.39340%0.397SS..Hα-helixtrans-74.9-44177.8-70.9173.7-170.100113.1Q46 Q47 I48 K52 K53 N54Q46-E50 HydrophobicContact CG-CG 4.46Å; Q46-E50 VanDerWaalsContact CG-OE1 3.3Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.37Å; Q46-E50 PolarHBondContact NE2-OE1 2.94Å; Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 3.45Å; Q47-E50 PolarHBondContact O-N 3.04Å; I48-E50 VanDerWaalsContact C-N 3.28Å; I48-E50 PolarHBondContact O-N 3.44Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 3.34Å; E50-K53 PolarHBondContact O-N 3.1Å; E50-N54 PolarHBondContact O-N 3.46Å; E50-N54 PolarHBondContact O-ND2 3.38Å
51N87.5Confident88.2Confident14 Ų1483.1 Ų83.18%0.07542%0.419CS..Hα-helixtrans-69.7-26.8178.3-77.6-78.4000112.6Q47 I48 N54 S55 R56 L60 L63Q47-N51 WeakPolarHBondContact O-CB 3.49Å; Q47-N51 PolarHBondContact O-N 2.99Å; Q47-N51 PolarHBondContact O-ND2 3.26Å; I48-N51 PolarHBondContact O-N 3.41Å; N51-N54 CarbonylContact O-C 3.59Å; N51-N54 PolarHBondContact O-N 3.02Å; N51-S55 PolarHBondContact O-N 3.48Å; N51-S55 VanDerWaalsContact O-N 3.11Å; N51-R56 HydrophobicContact CB-CB 4.25Å; N51-R56 PolarHBondContact O-N 3.27Å; N51-R56 WeakPolarHBondContact OD1-CB 3.38Å; N51-R56 WeakPolarHBondContact OD1-CD 2.89Å; N51-R56 PolarHBondContact OD1-NH1 2.79Å; N51-L60 HydrophobicContact CB-CD2 3.6Å; N51-L60 HydrophobicContact CB-CG 4.17Å; N51-L63 HydrophobicContact CB-CD1 4.48Å
52K88.8Confident88Confident163 Ų16385.7 Ų85.771%0.70943%0.43SS*.Hα-helixtrans-65.1-45.7169.8-169.4176-178.8178.10111.3I48 E50 N54 S55 L60I48-K52 WeakPolarHBondContact O-CB 3.21Å; I48-K52 PolarHBondContact O-N 3.16Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 3.34Å; K52-N54 VanDerWaalsContact C-N 3.29Å; K52-N54 PolarHBondContact O-N 3.25Å; K52-S55 PolarHBondContact O-N 3.02Å; K52-L60 HydrophobicContact CB-CD1 4.47Å
53K89.1Confident87.8Confident178 Ų17882.4 Ų82.477%0.77441%0.412SS*.Hα-helixtrans-61-36.4173.6-69.6171-177.4-179.40112.6R49 E50R49-K53 WeakPolarHBondContact O-CG 3.4Å; R49-K53 PolarHBondContact O-N 2.97Å; E50-K53 PolarHBondContact O-N 3.1Å
54N86.4Confident87.8Confident111 Ų11184.4 Ų84.459%0.59442%0.421SS*.THydrogen-bonded Turntrans-88.65.9-178.8-65.3-29.1000114.3E50 N51 K52 R56E50-N54 PolarHBondContact O-N 3.46Å; E50-N54 PolarHBondContact O-ND2 3.38Å; N51-N54 CarbonylContact O-C 3.59Å; N51-N54 PolarHBondContact O-N 3.02Å; K52-N54 VanDerWaalsContact C-N 3.29Å; K52-N54 PolarHBondContact O-N 3.25Å; N54-R56 HydrophobicContact CB-CG 4.05Å; N54-R56 WeakPolarHBondContact O-CG 3.38Å; N54-R56 PolarHBondContact O-N 2.67Å
55S82.3Confident87.8Confident107 Ų10788.7 Ų88.775%0.74844%0.44SS*.THydrogen-bonded Turntrans53.630.9-178.7-1520000115.2N51 K52 L57N51-S55 PolarHBondContact O-N 3.48Å; N51-S55 VanDerWaalsContact O-N 3.11Å; K52-S55 PolarHBondContact O-N 3.02Å; S55-L57 VanDerWaalsContact C-N 3.29Å; S55-L57 PolarHBondContact O-N 2.86Å
56R85.1Confident87.7Confident141 Ų14191 Ų9153%0.53245%0.446SS..  trans-87.661.4-176.1-64.9-177.371.5-135.510.6111.5N51 N54 G58 S59 L60N51-R56 HydrophobicContact CB-CB 4.25Å; N51-R56 PolarHBondContact O-N 3.27Å; N51-R56 WeakPolarHBondContact OD1-CB 3.38Å; N51-R56 WeakPolarHBondContact OD1-CD 2.89Å; N51-R56 PolarHBondContact OD1-NH1 2.79Å; N54-R56 HydrophobicContact CB-CG 4.05Å; N54-R56 WeakPolarHBondContact O-CG 3.38Å; N54-R56 PolarHBondContact O-N 2.67Å; R56-G58 VanDerWaalsContact C-N 3.35Å; R56-G58 PolarHBondContact O-N 3.23Å; R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 VanDerWaalsContact O-CB 3.26Å; R56-S59 WeakPolarHBondContact O-CB 2.8Å; R56-S59 PolarHBondContact O-N 3.1Å; R56-L60 PolarHBondContact O-N 2.86Å
57L82.5Confident87.8Confident136 Ų13687.2 Ų87.271%0.71243%0.429SS*.Hα-helixtrans-50.6-45.5-170-174.162.2000114.4S55 S59 L60 Y61S55-L57 VanDerWaalsContact C-N 3.29Å; S55-L57 PolarHBondContact O-N 2.86Å; L57-S59 PolarHBondContact O-N 3.26Å; L57-L60 WeakPolarHBondContact O-CB 3.45Å; L57-L60 PolarHBondContact O-N 2.84Å; L57-Y61 PolarHBondContact O-N 2.74Å
58G82.8Confident88Confident63 Ų6388 Ų8865%0.64943%0.432SS*.Hα-helixtrans-63.9-24.3177.200000114.5R56R56-G58 VanDerWaalsContact C-N 3.35Å; R56-G58 PolarHBondContact O-N 3.23Å
59S85.6Confident87.9Confident38 Ų3886.9 Ų86.927%0.26643%0.43SS..Hα-helixtrans-78.2-28.8173.1-162.60000112.1R56 L57 L63R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 VanDerWaalsContact O-CB 3.26Å; R56-S59 WeakPolarHBondContact O-CB 2.8Å; R56-S59 PolarHBondContact O-N 3.1Å; L57-S59 PolarHBondContact O-N 3.26Å; S59-L63 WeakPolarHBondContact O-CD1 3.47Å; S59-L63 WeakPolarHBondContact O-CG 3.33Å; S59-L63 PolarHBondContact O-N 3.27Å
60L87.8Confident87.7Confident38 Ų3879.9 Ų79.920%0.19940%0.404CS..Hα-helixtrans-69-37179-66173.9000111.7I48 N51 K52 R56 L57 L63 D64I48-L60 HydrophobicContact CB-CD2 4.44Å; I48-L60 HydrophobicContact CG2-CD2 4.2Å; N51-L60 HydrophobicContact CB-CD2 3.6Å; N51-L60 HydrophobicContact CB-CG 4.17Å; K52-L60 HydrophobicContact CB-CD1 4.47Å; R56-L60 PolarHBondContact O-N 2.86Å; L57-L60 WeakPolarHBondContact O-CB 3.45Å; L57-L60 PolarHBondContact O-N 2.84Å; L60-L63 PolarHBondContact O-N 3.45Å; L60-D64 WeakPolarHBondContact O-CB 3.37Å; L60-D64 PolarHBondContact O-N 2.93Å
61Y89Confident88Confident152 Ų15279.2 Ų79.260%0.59640%0.401SS*.Hα-helixtrans-62.5-46.3177.9177.6-99.8000113L57 L63 K65L57-Y61 PolarHBondContact O-N 2.74Å; Y61-L63 VanDerWaalsContact C-N 3.35Å; Y61-K65 HydrophobicContact CE1-CD 4.14Å; Y61-K65 VanDerWaalsContact O-CB 3.24Å; Y61-K65 WeakPolarHBondContact O-CB 3.46Å; Y61-K65 PolarHBondContact O-N 3Å
62E88.3Confident88.2Confident81 Ų8186.3 Ų86.338%0.37943%0.427SS..Hα-helixtrans-72.4-27.4178-68.8-64137.200112.5K65 Q66E62-K65 IonicContact OE1-NZ 3.69Å; E62-K65 PolarHBondContact OE1-NZ 3.29Å; E62-K65 IonicContact OE2-NZ 2.65Å; E62-K65 PolarHBondContact OE2-NZ 3.45Å; E62-Q66 WeakPolarHBondContact O-CB 3.41Å; E62-Q66 PolarHBondContact O-N 2.88Å
63L88.4Confident88.2Confident11 Ų1181 Ų816%0.05840%0.403CS..Hα-helixtrans-69.2-47.3172-72.5168.5000112.1L44 Q47 I48 N51 S59 L60 Y61 K65 Q66 V67L44-L63 HydrophobicContact CD2-CD2 3.49Å; L44-L63 VanDerWaalsContact CD2-CD2 3.49Å; Q47-L63 HydrophobicContact CB-CD1 4.11Å; Q47-L63 HydrophobicContact CB-CD2 4.21Å; I48-L63 HydrophobicContact CD1-CB 4.16Å; I48-L63 HydrophobicContact CG1-CB 3.74Å; I48-L63 HydrophobicContact CG1-CD1 4.05Å; I48-L63 HydrophobicContact CG1-CG 4.46Å; N51-L63 HydrophobicContact CB-CD1 4.48Å; S59-L63 WeakPolarHBondContact O-CD1 3.47Å; S59-L63 WeakPolarHBondContact O-CG 3.33Å; S59-L63 PolarHBondContact O-N 3.27Å; L60-L63 PolarHBondContact O-N 3.45Å; Y61-L63 VanDerWaalsContact C-N 3.35Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.15Å; L63-Q66 PolarHBondContact O-N 3.29Å; L63-Q66 VanDerWaalsContact O-N 3.1Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 2.9Å
64D89.6Confident88.5Confident63 Ų6373.2 Ų73.234%0.33737%0.37SS..Hα-helixtrans-56.3-43.2174173.386.5000111.8L60 Q66 V67 K68L60-D64 WeakPolarHBondContact O-CB 3.37Å; L60-D64 PolarHBondContact O-N 2.93Å; D64-Q66 PolarHBondContact O-N 3.32Å; D64-V67 PolarHBondContact O-N 3.49Å; D64-K68 WeakPolarHBondContact O-CB 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.48Å; D64-K68 PolarHBondContact O-N 2.86Å; D64-K68 WeakPolarHBondContact OD1-CE 3.48Å; D64-K68 IonicContact OD1-NZ 3.8Å; D64-K68 PolarHBondContact OD1-NZ 3.38Å; D64-K68 WeakPolarHBondContact OD2-CE 3.47Å; D64-K68 IonicContact OD2-NZ 2.61Å; D64-K68 PolarHBondContact OD2-NZ 3.49Å
65K90.8Very high88.9Confident94 Ų9475.2 Ų75.241%0.40937%0.37SS..Hα-helixtrans-66.6-32175.5-179.7179.5167-154.70113.3Y61 E62 L63 A69Y61-K65 HydrophobicContact CE1-CD 4.14Å; Y61-K65 VanDerWaalsContact O-CB 3.24Å; Y61-K65 WeakPolarHBondContact O-CB 3.46Å; Y61-K65 PolarHBondContact O-N 3Å; E62-K65 IonicContact OE1-NZ 3.69Å; E62-K65 PolarHBondContact OE1-NZ 3.29Å; E62-K65 IonicContact OE2-NZ 2.65Å; E62-K65 PolarHBondContact OE2-NZ 3.45Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.15Å; K65-A69 WeakPolarHBondContact O-CB 3.22Å; K65-A69 PolarHBondContact O-N 3.1Å
66Q88.6Confident89.5Confident68 Ų6873 Ų7332%0.31835%0.345SS..Hα-helixtrans-73.5-45.7172.9-176.5172.5-14.500111.3E40 L44 E62 L63 D64 K68 A69 I70E40-Q66 PolarHBondContact OE1-NE2 2.9Å; L44-Q66 HydrophobicContact CD1-CB 4.38Å; L44-Q66 HydrophobicContact CD1-CG 3.77Å; L44-Q66 HydrophobicContact CD2-CG 4.34Å; E62-Q66 WeakPolarHBondContact O-CB 3.41Å; E62-Q66 PolarHBondContact O-N 2.88Å; L63-Q66 PolarHBondContact O-N 3.29Å; L63-Q66 VanDerWaalsContact O-N 3.1Å; D64-Q66 PolarHBondContact O-N 3.32Å; Q66-K68 PolarHBondContact O-N 3.42Å; Q66-A69 WeakPolarHBondContact O-CB 3.28Å; Q66-A69 PolarHBondContact O-N 2.95Å; Q66-I70 HydrophobicContact CG-CD1 3.8Å; Q66-I70 WeakPolarHBondContact O-CG1 3.1Å; Q66-I70 PolarHBondContact O-N 3.24Å
67V91.5Very high90Very high20 Ų2066.2 Ų66.212%0.12132%0.319CS..Hα-helixtrans-51.7-56.5172.9163.40000110.2L41 L44 I48 L63 D64 A69 I70 E71L41-V67 HydrophobicContact CD2-CB 4.23Å; L41-V67 HydrophobicContact CD2-CG1 4.06Å; L41-V67 HydrophobicContact CD2-CG2 4.2Å; L44-V67 HydrophobicContact CB-CG2 3.73Å; L44-V67 HydrophobicContact CD1-CG2 4.03Å; L44-V67 HydrophobicContact CG-CG2 4.48Å; I48-V67 HydrophobicContact CD1-CG2 3.97Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 2.9Å; D64-V67 PolarHBondContact O-N 3.49Å; V67-A69 PolarHBondContact O-N 2.82Å; V67-A69 VanDerWaalsContact O-N 3.09Å; V67-I70 PolarHBondContact O-N 2.67Å; V67-E71 HydrophobicContact CG1-CG 4.19Å; V67-E71 WeakPolarHBondContact CG1-OE1 3.08Å; V67-E71 WeakPolarHBondContact O-CB 3.31Å; V67-E71 VanDerWaalsContact O-CG 3.32Å; V67-E71 WeakPolarHBondContact O-CG 3.38Å; V67-E71 PolarHBondContact O-N 2.78Å
68K92.9Very high90.7Very high83 Ų8363.5 Ų63.536%0.36130%0.303SS..Hα-helixtrans-65.1-15179-69.5171.2-175.9160.80114.4D64 Q66 R72D64-K68 WeakPolarHBondContact O-CB 3.32Å; D64-K68 WeakPolarHBondContact O-CG 3.48Å; D64-K68 PolarHBondContact O-N 2.86Å; D64-K68 WeakPolarHBondContact OD1-CE 3.48Å; D64-K68 IonicContact OD1-NZ 3.8Å; D64-K68 PolarHBondContact OD1-NZ 3.38Å; D64-K68 WeakPolarHBondContact OD2-CE 3.47Å; D64-K68 IonicContact OD2-NZ 2.61Å; D64-K68 PolarHBondContact OD2-NZ 3.49Å; Q66-K68 PolarHBondContact O-N 3.42Å; K68-R72 WeakPolarHBondContact O-CG 3.48Å; K68-R72 PolarHBondContact O-NH1 3.43Å
69A88.4Confident91.4Very high29 Ų2968 Ų6824%0.2431%0.305CS..Hα-helixtrans-83.2-43.1171.400000111.2K65 Q66 V67 R72 F73 V278K65-A69 WeakPolarHBondContact O-CB 3.22Å; K65-A69 PolarHBondContact O-N 3.1Å; Q66-A69 WeakPolarHBondContact O-CB 3.28Å; Q66-A69 PolarHBondContact O-N 2.95Å; V67-A69 PolarHBondContact O-N 2.82Å; V67-A69 VanDerWaalsContact O-N 3.09Å; A69-R72 PolarHBondContact O-N 3.46Å; A69-F73 PolarHBondContact O-N 3.03Å; A69-F73 VanDerWaalsContact O-N 3.16Å; A69-V278 HydrophobicContact CB-CG2 4.3Å
70I88.4Confident91.9Very high3 Ų366.7 Ų66.72%0.01530%0.295CS..Hα-helixtrans-67.4-45.5177.6-64158.5000110.6H37 E40 L41 L44 Q66 V67 R72 F73 M74H37-I70 HydrophobicContact CB-CG2 3.72Å; E40-I70 HydrophobicContact CB-CD1 4.4Å; E40-I70 HydrophobicContact CG-CD1 3.81Å; E40-I70 WeakPolarHBondContact OE1-CD1 3.46Å; L41-I70 HydrophobicContact CD1-CG2 4.29Å; L41-I70 HydrophobicContact CD2-CB 3.83Å; L41-I70 HydrophobicContact CD2-CD1 4.27Å; L41-I70 HydrophobicContact CD2-CG2 3.81Å; L41-I70 HydrophobicContact CG-CB 4.4Å; L41-I70 HydrophobicContact CG-CG2 3.81Å; L44-I70 HydrophobicContact CD1-CD1 3.36Å; Q66-I70 HydrophobicContact CG-CD1 3.8Å; Q66-I70 WeakPolarHBondContact O-CG1 3.1Å; Q66-I70 PolarHBondContact O-N 3.24Å; V67-I70 PolarHBondContact O-N 2.67Å; I70-R72 PolarHBondContact O-N 3.09Å; I70-R72 VanDerWaalsContact O-N 3.17Å; I70-F73 CarbonylContact O-C 3.59Å; I70-F73 WeakPolarHBondContact O-CA 3.49Å; I70-F73 WeakPolarHBondContact O-CB 3.41Å; I70-F73 PolarHBondContact O-N 3.35Å; I70-M74 HydrophobicContact CG2-CG 4.26Å; I70-M74 HydrophobicContact CG2-SD 4.04Å; I70-M74 PolarHBondContact O-N 2.81Å
71E93.6Very high92.4Very high70 Ų7065.8 Ų65.833%0.32729%0.29SS..Hα-helixtrans-54.9-32174.9-76.6175.9172.300114L41 V67 R75L41-E71 HydrophobicContact CD1-CG 4.15Å; L41-E71 HydrophobicContact CD2-CG 4.26Å; V67-E71 HydrophobicContact CG1-CG 4.19Å; V67-E71 WeakPolarHBondContact CG1-OE1 3.08Å; V67-E71 WeakPolarHBondContact O-CB 3.31Å; V67-E71 VanDerWaalsContact O-CG 3.32Å; V67-E71 WeakPolarHBondContact O-CG 3.38Å; V67-E71 PolarHBondContact O-N 2.78Å; E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 2.9Å; E71-R75 PolarHBondContact O-NH1 3.13Å
72R91.9Very high92.8Very high163 Ų16361.8 Ų61.862%0.61528%0.284SS*.Hα-helixtrans-81.8-29.3174.9-72.7-177.7-176.699.3-5.3112.4K68 A69 I70 R76K68-R72 WeakPolarHBondContact O-CG 3.48Å; K68-R72 PolarHBondContact O-NH1 3.43Å; A69-R72 PolarHBondContact O-N 3.46Å; I70-R72 PolarHBondContact O-N 3.09Å; I70-R72 VanDerWaalsContact O-N 3.17Å; R72-R76 PolarHBondContact O-N 2.72Å
73F90.1Very high93.2Very high51 Ų5160.3 Ų60.322%0.22428%0.276CS..Hα-helixtrans-74.2-39.4175.5-173.1-111000111.4Y33 H37 A69 I70 R76 L77 F266Y33-F73 HydrophobicContact CD1-CE1 4.07Å; Y33-F73 HydrophobicContact CE1-CE1 4.05Å; Y33-F73 HydrophobicContact CE1-CZ 4.31Å; H37-F73 AromaticContact CD2-CD1 3.79Å; H37-F73 AromaticContact CD2-CE1 3.79Å; H37-F73 AromaticContact NE2-CD1 3.76Å; H37-F73 AromaticContact NE2-CE1 3.54Å; A69-F73 PolarHBondContact O-N 3.03Å; A69-F73 VanDerWaalsContact O-N 3.16Å; I70-F73 CarbonylContact O-C 3.59Å; I70-F73 WeakPolarHBondContact O-CA 3.49Å; I70-F73 WeakPolarHBondContact O-CB 3.41Å; I70-F73 PolarHBondContact O-N 3.35Å; F73-R76 PolarHBondContact O-N 2.7Å; F73-L77 HydrophobicContact CD1-CD1 3.74Å; F73-L77 HydrophobicContact CD1-CG 4.45Å; F73-L77 HydrophobicContact CE1-CD1 3.52Å; F73-L77 HydrophobicContact CE1-CG 4.18Å; F73-L77 HydrophobicContact CZ-CD1 4.2Å; F73-L77 HydrophobicContact CZ-CG 4.41Å; F73-L77 PolarHBondContact O-N 2.89Å; F73-F266 HydrophobicContact CD2-CE2 4.33Å; F73-F266 AromaticContact CE2-CD2 3.89Å; F73-F266 HydrophobicContact CE2-CD2 3.89Å; F73-F266 AromaticContact CE2-CE2 3.57Å; F73-F266 HydrophobicContact CE2-CE2 3.57Å; F73-F266 HydrophobicContact CZ-CD2 4.34Å; F73-F266 AromaticContact CZ-CE2 3.94Å; F73-F266 HydrophobicContact CZ-CE2 3.94Å
74M93.7Very high93.7Very high16 Ų1659.8 Ų59.88%0.07927%0.274CS..Hα-helixtrans-60.4-47.9172.9-73.2-179.163.200111.6L34 H37 Q38 L41 I70 R76 L77 E78L34-M74 HydrophobicContact CD2-CB 4.08Å; L34-M74 HydrophobicContact CD2-CE 4.45Å; L34-M74 HydrophobicContact CD2-CG 4.22Å; H37-M74 HydrophobicContact CB-CG 3.77Å; H37-M74 HydrophobicContact CB-SD 3.77Å; Q38-M74 HydrophobicContact CB-CE 4.1Å; L41-M74 HydrophobicContact CD1-SD 3.62Å; L41-M74 HydrophobicContact CG-SD 4.37Å; I70-M74 HydrophobicContact CG2-CG 4.26Å; I70-M74 HydrophobicContact CG2-SD 4.04Å; I70-M74 PolarHBondContact O-N 2.81Å; M74-R76 PolarHBondContact O-N 2.92Å; M74-R76 VanDerWaalsContact O-N 3.16Å; M74-L77 CarbonylContact O-C 3.59Å; M74-L77 WeakPolarHBondContact O-CA 3.48Å; M74-L77 WeakPolarHBondContact O-CB 3.47Å; M74-L77 PolarHBondContact O-N 2.8Å; M74-E78 WeakPolarHBondContact CB-OE1 3.49Å; M74-E78 PolarHBondContact O-N 3.23Å
75R96Very high94.1Very high153 Ų15358.9 Ų58.958%0.57727%0.267SS*.Hα-helixtrans-57.9-30.8174-71.9179.9-176.188.6-6.6114.9E71 E78 F79E71-R75 WeakPolarHBondContact O-CG 3.3Å; E71-R75 PolarHBondContact O-N 2.9Å; E71-R75 PolarHBondContact O-NH1 3.13Å; R75-E78 VanDerWaalsContact CA-OE2 3.28Å; R75-E78 WeakPolarHBondContact CA-OE2 3.43Å; R75-F79 WeakPolarHBondContact O-CB 3.18Å; R75-F79 PolarHBondContact O-N 3.02Å
76R94.7Very high94.5Very high59 Ų5959.4 Ų59.422%0.22327%0.271CS..Hα-helixtrans-73.3-36.8171.2-74.9-17865.8176.73.2112.6R72 F73 M74 H80 F266 D270 S274R72-R76 PolarHBondContact O-N 2.72Å; F73-R76 PolarHBondContact O-N 2.7Å; M74-R76 PolarHBondContact O-N 2.92Å; M74-R76 VanDerWaalsContact O-N 3.16Å; R76-H80 WeakPolarHBondContact O-CB 3.4Å; R76-H80 PolarHBondContact O-N 3.27Å; R76-F266 HydrophobicContact CB-CE1 4.28Å; R76-F266 HydrophobicContact CB-CZ 3.82Å; R76-D270 IonicContact CZ-OD2 2.75Å; R76-D270 PolarHBondContact NH1-O 2.87Å; R76-D270 PolarHBondContact NH2-O 3.19Å; R76-D270 IonicContact NH2-OD1 2.7Å; R76-D270 IonicContact NH2-OD2 2.79Å; R76-D270 PolarHBondContact NH2-OD2 3.05Å; R76-S274 PolarHBondContact NH1-OG 3.4Å
77L95Very high94.9Very high0 Ų056.6 Ų56.60%026%0.258CS..Hα-helixtrans-70.7-38.1176-75.4168.1000112.2L30 Y33 L34 F73 M74 H80 L81 P265 F266L30-L77 HydrophobicContact CD2-CD2 4.01Å; Y33-L77 HydrophobicContact CD1-CD1 4.12Å; Y33-L77 HydrophobicContact CG-CD1 4.34Å; Y33-L77 HydrophobicContact CG-CD2 4.4Å; L34-L77 HydrophobicContact CD2-CB 3.5Å; L34-L77 VanDerWaalsContact CD2-CB 3.5Å; L34-L77 HydrophobicContact CD2-CD1 4.15Å; L34-L77 HydrophobicContact CG-CB 3.96Å; F73-L77 HydrophobicContact CD1-CD1 3.74Å; F73-L77 HydrophobicContact CD1-CG 4.45Å; F73-L77 HydrophobicContact CE1-CD1 3.52Å; F73-L77 HydrophobicContact CE1-CG 4.18Å; F73-L77 HydrophobicContact CZ-CD1 4.2Å; F73-L77 HydrophobicContact CZ-CG 4.41Å; F73-L77 PolarHBondContact O-N 2.89Å; M74-L77 CarbonylContact O-C 3.59Å; M74-L77 WeakPolarHBondContact O-CA 3.48Å; M74-L77 WeakPolarHBondContact O-CB 3.47Å; M74-L77 PolarHBondContact O-N 2.8Å; L77-H80 PolarHBondContact O-N 3.29Å; L77-L81 VanDerWaalsContact O-CB 3.24Å; L77-L81 WeakPolarHBondContact O-CB 3.36Å; L77-L81 PolarHBondContact O-N 3.5Å; L77-P265 HydrophobicContact CD2-CB 4.08Å; L77-P265 HydrophobicContact CD2-CG 3.71Å; L77-F266 HydrophobicContact CD2-CE2 3.77Å; L77-F266 HydrophobicContact CD2-CZ 3.89Å; L77-F266 HydrophobicContact CG-CE2 4.11Å; L77-F266 HydrophobicContact CG-CZ 4.13Å
78E97.5Very high95.3Very high78 Ų7857.9 Ų57.936%0.36426%0.261SS..Hα-helixtrans-59.7-55.7172-77.4140.8-148.600110.2L34 M74 R75 H80 L81 S82L34-E78 HydrophobicContact CD1-CG 4.18Å; L34-E78 HydrophobicContact CD2-CG 3.89Å; M74-E78 WeakPolarHBondContact CB-OE1 3.49Å; M74-E78 PolarHBondContact O-N 3.23Å; R75-E78 VanDerWaalsContact CA-OE2 3.28Å; R75-E78 WeakPolarHBondContact CA-OE2 3.43Å; E78-H80 VanDerWaalsContact C-N 3.31Å; E78-H80 PolarHBondContact O-N 2.79Å; E78-L81 WeakPolarHBondContact O-CB 3.42Å; E78-L81 PolarHBondContact O-N 2.94Å; E78-L81 VanDerWaalsContact O-N 3.16Å; E78-S82 PolarHBondContact O-N 3.15Å; E78-S82 PolarHBondContact O-OG 2.86Å
79F96.8Very high95.5Very high157 Ų15760.1 Ų60.169%0.68927%0.273SS*.Hα-helixtrans-57.5-41.3176.2178.6-97.5000113R75 S82 K83R75-F79 WeakPolarHBondContact O-CB 3.18Å; R75-F79 PolarHBondContact O-N 3.02Å; F79-S82 PolarHBondContact O-N 3.11Å; F79-K83 PolarHBondContact O-N 2.87Å
80H96.8Very high96Very high12 Ų1260.5 Ų60.56%0.05628%0.276CS..Hα-helixtrans-68.1-39177.6-176.6-159.7000112.3R76 L77 E78 K83 V84 Q145 P265 F266R76-H80 WeakPolarHBondContact O-CB 3.4Å; R76-H80 PolarHBondContact O-N 3.27Å; L77-H80 PolarHBondContact O-N 3.29Å; E78-H80 VanDerWaalsContact C-N 3.31Å; E78-H80 PolarHBondContact O-N 2.79Å; H80-K83 PolarHBondContact O-N 3.26Å; H80-V84 WeakPolarHBondContact O-CG2 3.41Å; H80-V84 PolarHBondContact O-N 3.41Å; H80-Q145 PolarHBondContact CE1-O 3.11Å; H80-Q145 PolarHBondContact NE2-O 2.95Å; H80-P265 PolarHBondContact CE1-O 3.34Å; H80-P265 PolarHBondContact ND1-O 3.19Å; H80-F266 HydrophobicContact CB-CE1 3.95Å; H80-F266 HydrophobicContact CB-CZ 4.36Å; H80-F266 AromaticContact ND1-CE1 3.78Å
81L97.6Very high96.4Very high18 Ų1860.4 Ų60.49%0.09428%0.275CS..Hα-helixtrans-59.9-49.1173.7176.560.2000110.9R27 L30 Q31 L34 L77 E78 K83 V84 E85R27-L81 HydrophobicContact CG-CD1 3.83Å; L30-L81 HydrophobicContact CB-CB 4.46Å; L30-L81 HydrophobicContact CB-CD1 4.08Å; L30-L81 HydrophobicContact CD1-CB 4.29Å; L30-L81 HydrophobicContact CD1-CD1 4.17Å; Q31-L81 HydrophobicContact CG-CD1 4.38Å; Q31-L81 HydrophobicContact CG-CD2 3.85Å; L34-L81 HydrophobicContact CD1-CD2 3.94Å; L77-L81 VanDerWaalsContact O-CB 3.24Å; L77-L81 WeakPolarHBondContact O-CB 3.36Å; L77-L81 PolarHBondContact O-N 3.5Å; E78-L81 WeakPolarHBondContact O-CB 3.42Å; E78-L81 PolarHBondContact O-N 2.94Å; E78-L81 VanDerWaalsContact O-N 3.16Å; L81-K83 VanDerWaalsContact C-N 3.3Å; L81-K83 PolarHBondContact O-N 3.39Å; L81-V84 PolarHBondContact O-N 3.02Å; L81-E85 HydrophobicContact CD1-CG 4.27Å; L81-E85 VanDerWaalsContact CD1-OE1 3.25Å; L81-E85 WeakPolarHBondContact CD1-OE1 3.33Å; L81-E85 WeakPolarHBondContact CG-OE1 3.49Å; L81-E85 VanDerWaalsContact O-CG 3.26Å; L81-E85 WeakPolarHBondContact O-CG 3.42Å; L81-E85 PolarHBondContact O-N 3.36Å
82S98.2Very high96.6Very high68 Ų6858.8 Ų58.848%0.47627%0.271SS..Hα-helixtrans-59.2-39.6175-570000112.3E78 F79 E85 E86E78-S82 PolarHBondContact O-N 3.15Å; E78-S82 PolarHBondContact O-OG 2.86Å; F79-S82 PolarHBondContact O-N 3.11Å; S82-E85 PolarHBondContact O-N 2.84Å; S82-E86 WeakPolarHBondContact O-CB 3.41Å; S82-E86 PolarHBondContact O-N 2.77Å
83K97.7Very high96.8Very high51 Ų5154.4 Ų54.422%0.22226%0.26CS..Hα-helixtrans-68-35.4177.2-172.650.5174.3169.70113.2F79 H80 L81 E85 E86 L87F79-K83 PolarHBondContact O-N 2.87Å; H80-K83 PolarHBondContact O-N 3.26Å; L81-K83 VanDerWaalsContact C-N 3.3Å; L81-K83 PolarHBondContact O-N 3.39Å; K83-E85 VanDerWaalsContact C-N 3.35Å; K83-E86 WeakPolarHBondContact CD-OE2 3.48Å; K83-E86 WeakPolarHBondContact CE-OE2 3.48Å; K83-E86 IonicContact NZ-OE1 2.9Å; K83-E86 PolarHBondContact NZ-OE1 2.78Å; K83-E86 IonicContact NZ-OE2 3.8Å; K83-E86 PolarHBondContact NZ-OE2 2.88Å; K83-L87 HydrophobicContact CD-CD1 4.5Å; K83-L87 HydrophobicContact CD-CG 4.37Å; K83-L87 HydrophobicContact CG-CD1 4.36Å; K83-L87 WeakPolarHBondContact O-CB 3.34Å; K83-L87 VanDerWaalsContact O-CG 3.26Å; K83-L87 WeakPolarHBondContact O-CG 3.49Å; K83-L87 PolarHBondContact O-N 2.87Å; K83-L87 VanDerWaalsContact O-N 3.11Å
84V98.3Very high97.1Very high0 Ų052.9 Ų52.90%025%0.253CS..Hα-helixtrans-67.9-36173.3161.90000111.6Y23 L26 L30 H80 L81 Y88 L142 Q145Y23-V84 HydrophobicContact CD2-CG1 3.93Å; Y23-V84 HydrophobicContact CE2-CG1 4.06Å; L26-V84 HydrophobicContact CD2-CB 4.46Å; L26-V84 HydrophobicContact CD2-CG1 3.73Å; L26-V84 HydrophobicContact CD2-CG2 3.81Å; L26-V84 HydrophobicContact CG-CG1 4.16Å; L30-V84 HydrophobicContact CD1-CB 4.35Å; L30-V84 HydrophobicContact CD1-CG2 4.12Å; H80-V84 WeakPolarHBondContact O-CG2 3.41Å; H80-V84 PolarHBondContact O-N 3.41Å; L81-V84 PolarHBondContact O-N 3.02Å; V84-Y88 PolarHBondContact O-N 2.81Å; V84-L142 HydrophobicContact CG1-CD1 4.34Å; V84-Q145 HydrophobicContact CG2-CB 3.94Å
85E98.4Very high97.2Very high44 Ų4454.4 Ų54.421%0.20626%0.258CS..Hα-helixtrans-69-47.8175.8-69167.4169.100111.2Y23 R27 L81 S82 K83 L87 Y88 E89Y23-E85 HydrophobicContact CE2-CG 4.28Å; R27-E85 IonicContact CZ-OE1 3.41Å; R27-E85 IonicContact NE-OE1 3.56Å; R27-E85 PolarHBondContact NE-OE1 2.99Å; R27-E85 IonicContact NH2-OE1 2.92Å; R27-E85 PolarHBondContact NH2-OE1 3.3Å; R27-E85 IonicContact NH2-OE2 2.61Å; L81-E85 HydrophobicContact CD1-CG 4.27Å; L81-E85 VanDerWaalsContact CD1-OE1 3.25Å; L81-E85 WeakPolarHBondContact CD1-OE1 3.33Å; L81-E85 WeakPolarHBondContact CG-OE1 3.49Å; L81-E85 VanDerWaalsContact O-CG 3.26Å; L81-E85 WeakPolarHBondContact O-CG 3.42Å; L81-E85 PolarHBondContact O-N 3.36Å; S82-E85 PolarHBondContact O-N 2.84Å; K83-E85 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 2.91Å; E85-Y88 PolarHBondContact O-N 2.84Å; E85-E89 PolarHBondContact O-N 2.97Å
86E98.3Very high97.3Very high105 Ų10553 Ų5349%0.49125%0.253SS..Hα-helixtrans-54.6-47.5174.3-172.4-149.5136.500112.5S82 K83 Y88 E89 A90S82-E86 WeakPolarHBondContact O-CB 3.41Å; S82-E86 PolarHBondContact O-N 2.77Å; K83-E86 WeakPolarHBondContact CD-OE2 3.48Å; K83-E86 WeakPolarHBondContact CE-OE2 3.48Å; K83-E86 IonicContact NZ-OE1 2.9Å; K83-E86 PolarHBondContact NZ-OE1 2.78Å; K83-E86 IonicContact NZ-OE2 3.8Å; K83-E86 PolarHBondContact NZ-OE2 2.88Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.11Å; E86-E89 PolarHBondContact O-N 2.61Å; E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.21Å
87L98.2Very high97.3Very high8 Ų851.2 Ų51.24%0.04225%0.248CC..Hα-helixtrans-65.5-35.9-180-74.1170.9000112.8K83 E85 Y91 L138 E141 L142 Q145K83-L87 HydrophobicContact CD-CD1 4.5Å; K83-L87 HydrophobicContact CD-CG 4.37Å; K83-L87 HydrophobicContact CG-CD1 4.36Å; K83-L87 WeakPolarHBondContact O-CB 3.34Å; K83-L87 VanDerWaalsContact O-CG 3.26Å; K83-L87 WeakPolarHBondContact O-CG 3.49Å; K83-L87 PolarHBondContact O-N 2.87Å; K83-L87 VanDerWaalsContact O-N 3.11Å; E85-L87 PolarHBondContact O-N 2.91Å; L87-Y91 PolarHBondContact O-N 2.86Å; L87-Y91 VanDerWaalsContact O-N 3.09Å; L87-L138 HydrophobicContact CD2-CD2 4.21Å; L87-E141 HydrophobicContact CD1-CG 4.09Å; L87-E141 HydrophobicContact CD2-CB 4.48Å; L87-E141 HydrophobicContact CD2-CG 3.89Å; L87-L142 HydrophobicContact CB-CD1 4.13Å; L87-L142 HydrophobicContact CD1-CD1 4.5Å; L87-Q145 HydrophobicContact CD1-CG 3.69Å
88Y98.6Very high97.3Very high48 Ų4852.5 Ų52.519%0.18825%0.253CS..Hα-helixtrans-72.5-37.7176.5176.9-97.5000112.1D20 Y23 V84 E85 E86 Y91 C92D20-Y88 PolarHBondContact OD1-OH 2.96Å; Y23-Y88 AromaticContact CD1-CD1 3.6Å; Y23-Y88 HydrophobicContact CD1-CD1 3.6Å; Y23-Y88 AromaticContact CD1-CD2 3.46Å; Y23-Y88 HydrophobicContact CD1-CD2 3.46Å; Y23-Y88 VanDerWaalsContact CD1-CD2 3.46Å; Y23-Y88 AromaticContact CD1-CE1 3.6Å; Y23-Y88 HydrophobicContact CD1-CE1 3.6Å; Y23-Y88 AromaticContact CD1-CE2 3.46Å; Y23-Y88 HydrophobicContact CD1-CE2 3.46Å; Y23-Y88 VanDerWaalsContact CD1-CE2 3.46Å; Y23-Y88 AromaticContact CD1-CG 3.5Å; Y23-Y88 HydrophobicContact CD1-CG 3.5Å; Y23-Y88 AromaticContact CD1-CZ 3.52Å; Y23-Y88 HydrophobicContact CD2-CD1 4.29Å; Y23-Y88 AromaticContact CD2-CD2 3.93Å; Y23-Y88 HydrophobicContact CD2-CD2 3.93Å; Y23-Y88 AromaticContact CD2-CG 3.66Å; Y23-Y88 HydrophobicContact CD2-CG 3.66Å; Y23-Y88 AromaticContact CE1-CD1 3.25Å; Y23-Y88 HydrophobicContact CE1-CD1 3.25Å; Y23-Y88 HydrophobicContact CE1-CD2 4.04Å; Y23-Y88 AromaticContact CE1-CE1 3.35Å; Y23-Y88 HydrophobicContact CE1-CE1 3.35Å; Y23-Y88 HydrophobicContact CE1-CE2 4.13Å; Y23-Y88 AromaticContact CE1-CG 3.6Å; Y23-Y88 HydrophobicContact CE1-CG 3.6Å; Y23-Y88 AromaticContact CE1-CZ 3.79Å; Y23-Y88 HydrophobicContact CE2-CD1 4.03Å; Y23-Y88 HydrophobicContact CE2-CD2 4.48Å; Y23-Y88 AromaticContact CE2-CG 3.78Å; Y23-Y88 HydrophobicContact CE2-CG 3.78Å; Y23-Y88 HydrophobicContact CG-CD1 4.08Å; Y23-Y88 AromaticContact CG-CD2 3.36Å; Y23-Y88 HydrophobicContact CG-CD2 3.36Å; Y23-Y88 HydrophobicContact CG-CE1 4.44Å; Y23-Y88 AromaticContact CG-CE2 3.79Å; Y23-Y88 HydrophobicContact CG-CE2 3.79Å; Y23-Y88 AromaticContact CG-CG 3.5Å; Y23-Y88 HydrophobicContact CG-CG 3.5Å; Y23-Y88 AromaticContact CZ-CD1 3.47Å; Y23-Y88 VanDerWaalsContact CZ-CD1 3.47Å; Y23-Y88 AromaticContact CZ-CG 3.71Å; V84-Y88 PolarHBondContact O-N 2.81Å; E85-Y88 PolarHBondContact O-N 2.84Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-Y88 PolarHBondContact O-N 3.11Å; Y88-Y91 WeakPolarHBondContact O-CB 3.27Å; Y88-Y91 PolarHBondContact O-N 3.47Å; Y88-C92 WeakPolarHBondContact CE1-SG 3.43Å; Y88-C92 VanDerWaalsContact CZ-SG 3.56Å; Y88-C92 PolarHBondContact O-N 3.15Å; Y88-C92 PolarHBondContact O-SG 3.37Å
89E98.1Very high97.2Very high129 Ų12951.7 Ų51.760%0.60325%0.251SS*.Hα-helixtrans-64-46.9173.8178.5148.5-124.500111.9E85 E86 Y91 C92 I93E85-E89 PolarHBondContact O-N 2.97Å; E86-E89 PolarHBondContact O-N 2.61Å; E89-Y91 PolarHBondContact O-N 2.95Å; E89-C92 WeakPolarHBondContact O-CB 3.35Å; E89-C92 PolarHBondContact O-N 3.08Å; E89-I93 HydrophobicContact CG-CD1 4.24Å; E89-I93 PolarHBondContact O-N 3.41Å
90A98.1Very high97.1Very high37 Ų3744.2 Ų44.231%0.30622%0.218SC..Hα-helixtrans-55.6-3917200000112E86 Q94 L138E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.21Å; A90-Q94 VanDerWaalsContact O-CB 3.24Å; A90-Q94 WeakPolarHBondContact O-CB 3.35Å; A90-Q94 PolarHBondContact O-N 2.8Å; A90-L138 HydrophobicContact CB-CD1 4.39Å; A90-L138 HydrophobicContact CB-CD2 4.24Å
91Y97.9Very high97Very high1 Ų143.7 Ų43.70%0.00422%0.216CC..Hα-helixtrans-67.6-39.2173.9-174.7-91.5000112.9P16 L19 L87 Y88 E89 Q94 R95 M135 L138 E139P16-Y91 WeakPolarHBondContact CA-OH 3.18Å; P16-Y91 HydrophobicContact CB-CE1 3.93Å; P16-Y91 HydrophobicContact CG-CE1 4.46Å; P16-Y91 WeakPolarHBondContact CG-OH 3.49Å; L19-Y91 HydrophobicContact CB-CE1 4.2Å; L19-Y91 HydrophobicContact CD2-CD1 3.42Å; L19-Y91 VanDerWaalsContact CD2-CD1 3.42Å; L19-Y91 HydrophobicContact CD2-CD2 3.57Å; L19-Y91 HydrophobicContact CD2-CE1 3.51Å; L19-Y91 HydrophobicContact CD2-CE2 3.65Å; L19-Y91 HydrophobicContact CD2-CG 3.42Å; L19-Y91 VanDerWaalsContact CD2-CG 3.42Å; L19-Y91 HydrophobicContact CG-CE1 4.48Å; L87-Y91 PolarHBondContact O-N 2.86Å; L87-Y91 VanDerWaalsContact O-N 3.09Å; Y88-Y91 WeakPolarHBondContact O-CB 3.27Å; Y88-Y91 PolarHBondContact O-N 3.47Å; E89-Y91 PolarHBondContact O-N 2.95Å; Y91-Q94 PolarHBondContact O-N 3.3Å; Y91-R95 WeakPolarHBondContact O-CB 3.27Å; Y91-R95 PolarHBondContact O-N 3.33Å; Y91-M135 HydrophobicContact CD1-CE 4.33Å; Y91-M135 HydrophobicContact CD2-CB 4.25Å; Y91-M135 HydrophobicContact CD2-CE 4.33Å; Y91-M135 HydrophobicContact CD2-CG 4.37Å; Y91-M135 HydrophobicContact CE1-CE 3.62Å; Y91-M135 HydrophobicContact CE2-CB 3.71Å; Y91-M135 HydrophobicContact CE2-CE 3.62Å; Y91-M135 HydrophobicContact CE2-CG 4.09Å; Y91-M135 WeakPolarHBondContact CE2-O 3.26Å; Y91-M135 WeakPolarHBondContact OH-CE 3.16Å; Y91-L138 HydrophobicContact CD2-CB 3.97Å; Y91-L138 HydrophobicContact CD2-CD1 4.46Å; Y91-E139 HydrophobicContact CD2-CG 4.45Å; Y91-E139 HydrophobicContact CE2-CG 3.67Å; Y91-E139 WeakPolarHBondContact CE2-OE1 3.45Å; Y91-E139 PolarHBondContact OH-OE1 3.02Å
92C97.3Very high96.9Very high36 Ų3645.3 Ų45.324%0.24323%0.228CC..Hα-helixtrans-64.7-44.7176.9-71.60000111.7Y88 E89 Q94 R95 R96Y88-C92 WeakPolarHBondContact CE1-SG 3.43Å; Y88-C92 VanDerWaalsContact CZ-SG 3.56Å; Y88-C92 PolarHBondContact O-N 3.15Å; Y88-C92 PolarHBondContact O-SG 3.37Å; E89-C92 WeakPolarHBondContact O-CB 3.35Å; E89-C92 PolarHBondContact O-N 3.08Å; C92-Q94 VanDerWaalsContact C-N 3.32Å; C92-Q94 PolarHBondContact O-N 3.49Å; C92-R95 PolarHBondContact O-N 2.94Å; C92-R96 WeakPolarHBondContact O-CG 3.4Å; C92-R96 PolarHBondContact O-N 2.87Å; C92-R96 VanDerWaalsContact O-N 3.08Å
93I96.6Very high96.7Very high72 Ų7246.5 Ų46.537%0.36923%0.225SC..Hα-helixtrans-55.6-50169.5-71.5165.2000109.7E89 R95 R96 L97 F486E89-I93 HydrophobicContact CG-CD1 4.24Å; E89-I93 PolarHBondContact O-N 3.41Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 2.93Å; I93-R96 WeakPolarHBondContact O-CB 3.35Å; I93-R96 PolarHBondContact O-N 2.81Å; I93-R96 VanDerWaalsContact O-N 3.15Å; I93-L97 HydrophobicContact CG2-CD1 4.14Å; I93-L97 HydrophobicContact CG2-CG 4.47Å; I93-L97 WeakPolarHBondContact O-CG 3.49Å; I93-L97 PolarHBondContact O-N 2.96Å; I93-F486 HydrophobicContact CB-CE2 4.44Å; I93-F486 HydrophobicContact CG1-CE2 4.24Å; I93-F486 HydrophobicContact CG2-CE2 3.99Å; I93-F486 HydrophobicContact CG2-CZ 4.37Å
94Q96.4Very high96.4Very high19 Ų1945.8 Ų45.89%0.08922%0.223CC..Hα-helixtrans-67.6-32.2-175.2-167.158.210100113.3A90 Y91 C92 R98 H134 M135 L138A90-Q94 VanDerWaalsContact O-CB 3.24Å; A90-Q94 WeakPolarHBondContact O-CB 3.35Å; A90-Q94 PolarHBondContact O-N 2.8Å; Y91-Q94 PolarHBondContact O-N 3.3Å; C92-Q94 VanDerWaalsContact C-N 3.32Å; C92-Q94 PolarHBondContact O-N 3.49Å; Q94-R98 WeakPolarHBondContact O-CB 3.4Å; Q94-R98 PolarHBondContact O-N 2.85Å; Q94-H134 HydrophobicContact CG-CB 3.71Å; Q94-H134 VanDerWaalsContact OE1-CB 3.28Å; Q94-H134 PolarHBondContact OE1-ND1 3Å; Q94-M135 HydrophobicContact CB-CG 4.13Å; Q94-M135 HydrophobicContact CG-CG 3.69Å; Q94-L138 HydrophobicContact CB-CD1 4.12Å; Q94-L138 HydrophobicContact CG-CD1 4.41Å
95R95.7Very high96.1Very high47 Ų4746.9 Ų46.918%0.17723%0.229CC..Hα-helixtrans-60.8-49.1169.1-174.3-177.3-170.41683.6111.1P16 E17 D20 Y91 C92 I93 L97 R98 D99 M135P16-R95 HydrophobicContact CB-CG 4.47Å; P16-R95 VanDerWaalsContact CB-NE 3.31Å; E17-R95 IonicContact OE1-CZ 3.8Å; E17-R95 IonicContact OE1-NH2 3.38Å; E17-R95 PolarHBondContact OE1-NH2 3.03Å; D20-R95 IonicContact OD1-CZ 3.04Å; D20-R95 IonicContact OD1-NH1 2.71Å; D20-R95 PolarHBondContact OD1-NH1 3.25Å; D20-R95 IonicContact OD2-CZ 3.83Å; D20-R95 IonicContact OD2-NH1 2.67Å; D20-R95 PolarHBondContact OD2-NH1 2.89Å; D20-R95 IonicContact OD2-NH2 3.26Å; D20-R95 PolarHBondContact OD2-NH2 2.88Å; Y91-R95 WeakPolarHBondContact O-CB 3.27Å; Y91-R95 PolarHBondContact O-N 3.33Å; C92-R95 PolarHBondContact O-N 2.94Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 2.93Å; R95-L97 PolarHBondContact O-N 2.85Å; R95-R98 PolarHBondContact O-N 3.39Å; R95-D99 WeakPolarHBondContact O-CB 3.45Å; R95-D99 VanDerWaalsContact O-CG 3.22Å; R95-D99 PolarHBondContact O-N 2.93Å; R95-M135 HydrophobicContact CB-CE 3.58Å; R95-M135 HydrophobicContact CB-SD 4.25Å; R95-M135 HydrophobicContact CG-CE 3.89Å
96R96.4Very high95.8Very high124 Ų12447.4 Ų47.447%0.46824%0.241SC..Hα-helixtrans-60.2-46.1177.8-67.9176.270.1140.210111.8C92 I93 D99 G100 F486C92-R96 WeakPolarHBondContact O-CG 3.4Å; C92-R96 PolarHBondContact O-N 2.87Å; C92-R96 VanDerWaalsContact O-N 3.08Å; I93-R96 WeakPolarHBondContact O-CB 3.35Å; I93-R96 PolarHBondContact O-N 2.81Å; I93-R96 VanDerWaalsContact O-N 3.15Å; R96-D99 PolarHBondContact O-N 2.97Å; R96-G100 PolarHBondContact O-N 2.82Å; R96-F486 HydrophobicContact CB-CD1 4.46Å; R96-F486 HydrophobicContact CB-CE1 3.74Å; R96-F486 HydrophobicContact CB-CZ 3.95Å; R96-F486 VanDerWaalsContact NE-CD1 3.27Å
97L95.9Very high95.4Very high22 Ų2242.5 Ų42.512%0.11522%0.219CC..Hα-helixtrans-59.8-45.8176.1-66.4177.1000112.3I93 R95 D99 A101 Y131 F484 F486 L487I93-L97 HydrophobicContact CG2-CD1 4.14Å; I93-L97 HydrophobicContact CG2-CG 4.47Å; I93-L97 WeakPolarHBondContact O-CG 3.49Å; I93-L97 PolarHBondContact O-N 2.96Å; R95-L97 PolarHBondContact O-N 2.85Å; L97-D99 PolarHBondContact O-N 3.48Å; L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 2.87Å; L97-Y131 VanDerWaalsContact C-CD2 3.43Å; L97-Y131 HydrophobicContact CB-CD1 4.33Å; L97-Y131 HydrophobicContact CB-CD2 3.82Å; L97-Y131 HydrophobicContact CB-CE1 4.27Å; L97-Y131 HydrophobicContact CB-CE2 3.77Å; L97-Y131 HydrophobicContact CB-CG 4.1Å; L97-Y131 HydrophobicContact CD1-CE1 4.19Å; L97-Y131 WeakPolarHBondContact O-CD2 3.36Å; L97-Y131 WeakPolarHBondContact O-CE2 3.36Å; L97-F484 HydrophobicContact CD2-CD1 3.69Å; L97-F484 HydrophobicContact CD2-CE1 3.68Å; L97-F486 HydrophobicContact CD2-CE1 4.38Å; L97-F486 HydrophobicContact CD2-CZ 3.83Å; L97-F486 HydrophobicContact CG-CZ 4.11Å; L97-L487 HydrophobicContact CD2-CD1 4.08Å
98R95.5Very high95Very high27 Ų2743.5 Ų43.510%0.10222%0.223CC..Hα-helixtrans-59.1-46.3175.4-173.3-158.863.1-163.3-1111.4Q94 R95 A101 S102 Y128 T132 M135Q94-R98 WeakPolarHBondContact O-CB 3.4Å; Q94-R98 PolarHBondContact O-N 2.85Å; R95-R98 PolarHBondContact O-N 3.39Å; R98-A101 PolarHBondContact O-N 3.47Å; R98-S102 WeakPolarHBondContact O-CB 3.46Å; R98-S102 PolarHBondContact O-N 3.37Å; R98-Y128 HydrophobicContact CG-CD2 3.82Å; R98-Y128 HydrophobicContact CG-CE2 3.71Å; R98-Y128 WeakPolarHBondContact O-CD2 3.49Å; R98-T132 WeakPolarHBondContact CD-OG1 3.05Å; R98-M135 HydrophobicContact CB-SD 3.98Å; R98-M135 VanDerWaalsContact CD-SD 3.58Å; R98-M135 HydrophobicContact CG-SD 4.33Å; R98-M135 PolarHBondContact NH1-SD 3.32Å
99D94.8Very high94.5Very high61 Ų6146.3 Ų46.333%0.32624%0.241SC..Hα-helixtrans-74-33-174.2-65.5-13.3000111.7R95 R96 L97 S102 K103R95-D99 WeakPolarHBondContact O-CB 3.45Å; R95-D99 VanDerWaalsContact O-CG 3.22Å; R95-D99 PolarHBondContact O-N 2.93Å; R96-D99 PolarHBondContact O-N 2.97Å; L97-D99 PolarHBondContact O-N 3.48Å; D99-S102 WeakPolarHBondContact O-CB 3.44Å; D99-S102 PolarHBondContact O-N 2.87Å; D99-K103 WeakPolarHBondContact O-CG 3.39Å; D99-K103 PolarHBondContact O-N 2.99Å
100G94.8Very high93.9Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-65.1-43167.800000113.1R96 S102 K103 M104 S483R96-G100 PolarHBondContact O-N 2.82Å; G100-S102 VanDerWaalsContact C-N 3.3Å; G100-S102 PolarHBondContact O-N 3.06Å; G100-K103 PolarHBondContact O-N 2.85Å; G100-M104 PolarHBondContact O-N 3.32Å; G100-S483 WeakPolarHBondContact CA-OG 3.24Å
101A95.1Very high92.9Very high1 Ų144.3 Ų44.31%0.00823%0.231CC..Hα-helixtrans-61.9-38.8173.100000111.8L97 R98 M104 V105 Y131L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 2.87Å; R98-A101 PolarHBondContact O-N 3.47Å; A101-M104 PolarHBondContact O-N 2.79Å; A101-V105 WeakPolarHBondContact O-CG2 3.28Å; A101-V105 PolarHBondContact O-N 3.01Å; A101-Y131 HydrophobicContact CB-CD2 3.99Å; A101-Y131 HydrophobicContact CB-CE2 4.06Å
102S94.3Very high91.6Very high52 Ų5249.8 Ų49.836%0.36427%0.265SS..Hα-helixtrans-60.4-45.1174-167.50000112.2R98 D99 G100 V105 A106R98-S102 WeakPolarHBondContact O-CB 3.46Å; R98-S102 PolarHBondContact O-N 3.37Å; D99-S102 WeakPolarHBondContact O-CB 3.44Å; D99-S102 PolarHBondContact O-N 2.87Å; G100-S102 VanDerWaalsContact C-N 3.3Å; G100-S102 PolarHBondContact O-N 3.06Å; S102-V105 PolarHBondContact O-N 2.89Å; S102-A106 PolarHBondContact O-N 3.04Å
103K93.9Very high90.2Very high93 Ų9349.9 Ų49.940%0.40427%0.272SS..Hα-helixtrans-60.7-45.5173.8-69.9171.6-179.9-178.30112.2D99 G100 V105 A106 A107 A480D99-K103 WeakPolarHBondContact O-CG 3.39Å; D99-K103 PolarHBondContact O-N 2.99Å; G100-K103 PolarHBondContact O-N 2.85Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-V105 PolarHBondContact O-N 2.75Å; K103-A106 WeakPolarHBondContact O-CB 3.35Å; K103-A106 PolarHBondContact O-N 2.94Å; K103-A106 VanDerWaalsContact O-N 3.16Å; K103-A107 PolarHBondContact O-N 2.81Å; K103-A480 HydrophobicContact CB-CB 3.72Å
104M92.3Very high89.4Confident36 Ų3649 Ų4918%0.17727%0.272CS..Hα-helixtrans-60.4-43.4175.5-72.7-166.1-67.300111.8G100 A101 A106 A107 F108 A124 A480 F484G100-M104 PolarHBondContact O-N 3.32Å; A101-M104 PolarHBondContact O-N 2.79Å; M104-A106 VanDerWaalsContact C-N 3.3Å; M104-A106 PolarHBondContact O-N 3.12Å; M104-A107 PolarHBondContact O-N 2.61Å; M104-F108 HydrophobicContact CB-CD2 4.21Å; M104-F108 HydrophobicContact CB-CE2 4.04Å; M104-F108 WeakPolarHBondContact O-CB 3.38Å; M104-F108 WeakPolarHBondContact O-CD2 3.36Å; M104-F108 WeakPolarHBondContact O-CG 3.37Å; M104-F108 PolarHBondContact O-N 3.22Å; M104-A124 HydrophobicContact CB-CB 3.93Å; M104-A124 HydrophobicContact CE-CB 4.49Å; M104-A480 HydrophobicContact CG-CB 3.71Å; M104-F484 HydrophobicContact CE-CE2 3.79Å; M104-F484 HydrophobicContact CE-CZ 3.72Å; M104-F484 HydrophobicContact SD-CE2 4.36Å
105V92.4Very high88.8Confident22 Ų2253.9 Ų53.913%0.13329%0.293CS..Hα-helixtrans-59.9-40.3174.5169.80000111.3A101 S102 K103 N109 L121 A124 N125A101-V105 WeakPolarHBondContact O-CG2 3.28Å; A101-V105 PolarHBondContact O-N 3.01Å; S102-V105 PolarHBondContact O-N 2.89Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-V105 PolarHBondContact O-N 2.75Å; V105-N109 WeakPolarHBondContact CG1-ND2 3.06Å; V105-N109 WeakPolarHBondContact O-CB 3.47Å; V105-N109 PolarHBondContact O-N 3.07Å; V105-N109 VanDerWaalsContact O-N 3.14Å; V105-N109 PolarHBondContact O-ND2 2.8Å; V105-L121 HydrophobicContact CG1-CD1 4.17Å; V105-A124 VanDerWaalsContact CG2-C 3.45Å; V105-A124 HydrophobicContact CG2-CB 3.68Å; V105-N125 HydrophobicContact CG2-CB 4.32Å
106A91.4Very high88.2Confident55 Ų5557.1 Ų57.146%0.45531%0.311SS..Hα-helixtrans-63.1-51.7175.100000111.9S102 K103 M104 F108 N109 L110S102-A106 PolarHBondContact O-N 3.04Å; K103-A106 WeakPolarHBondContact O-CB 3.35Å; K103-A106 PolarHBondContact O-N 2.94Å; K103-A106 VanDerWaalsContact O-N 3.16Å; M104-A106 VanDerWaalsContact C-N 3.3Å; M104-A106 PolarHBondContact O-N 3.12Å; A106-F108 PolarHBondContact O-N 3.04Å; A106-N109 PolarHBondContact O-N 3.44Å; A106-N109 VanDerWaalsContact O-N 3.17Å; A106-L110 PolarHBondContact O-N 2.68Å
107A89.9Confident87.6Confident3 Ų351.9 Ų51.93%0.02529%0.293CS..Hα-helixtrans-60.4-44.5-179.900000112.5K103 M104 N109 L110 A111 E476 V477K103-A107 PolarHBondContact O-N 2.81Å; M104-A107 PolarHBondContact O-N 2.61Å; A107-N109 VanDerWaalsContact C-N 3.3Å; A107-N109 PolarHBondContact O-N 2.83Å; A107-L110 PolarHBondContact O-N 2.8Å; A107-L110 VanDerWaalsContact O-N 3.12Å; A107-A111 PolarHBondContact O-N 2.69Å; A107-E476 HydrophobicContact CB-CB 3.91Å; A107-V477 HydrophobicContact CB-CG2 3.88Å
108F89.5Confident87.1Confident29 Ų2958.1 Ų58.113%0.12732%0.315CS..Hα-helixtrans-70.3-21.3177.7-68.5-55.9000114M104 A106 A111 A117 L121 A124 F473 V477M104-F108 HydrophobicContact CB-CD2 4.21Å; M104-F108 HydrophobicContact CB-CE2 4.04Å; M104-F108 WeakPolarHBondContact O-CB 3.38Å; M104-F108 WeakPolarHBondContact O-CD2 3.36Å; M104-F108 WeakPolarHBondContact O-CG 3.37Å; M104-F108 PolarHBondContact O-N 3.22Å; A106-F108 PolarHBondContact O-N 3.04Å; F108-A111 WeakPolarHBondContact O-CB 3.44Å; F108-A117 HydrophobicContact CD1-CB 4.37Å; F108-L121 HydrophobicContact CB-CB 3.86Å; F108-L121 HydrophobicContact CB-CD1 3.77Å; F108-L121 HydrophobicContact CB-CG 4.32Å; F108-L121 HydrophobicContact CG-CB 4.48Å; F108-A124 HydrophobicContact CD2-CB 4.31Å; F108-A124 HydrophobicContact CE2-CB 4.5Å; F108-F473 AromaticContact CD1-CE2 3.88Å; F108-F473 HydrophobicContact CD1-CE2 3.88Å; F108-F473 AromaticContact CD1-CZ 3.84Å; F108-F473 HydrophobicContact CD1-CZ 3.84Å; F108-F473 HydrophobicContact CE1-CE2 4.21Å; F108-F473 AromaticContact CE1-CZ 3.83Å; F108-F473 HydrophobicContact CE1-CZ 3.83Å; F108-V477 HydrophobicContact CE1-CG2 4.46Å
109N87.9Confident86.8Confident106 Ų10661.5 Ų61.557%0.56733%0.333SS*.Hα-helixtrans-76.9-24.3169.8-83.2-62.3000112.9V105 A106 A107V105-N109 WeakPolarHBondContact CG1-ND2 3.06Å; V105-N109 WeakPolarHBondContact O-CB 3.47Å; V105-N109 PolarHBondContact O-N 3.07Å; V105-N109 VanDerWaalsContact O-N 3.14Å; V105-N109 PolarHBondContact O-ND2 2.8Å; A106-N109 PolarHBondContact O-N 3.44Å; A106-N109 VanDerWaalsContact O-N 3.17Å; A107-N109 VanDerWaalsContact C-N 3.3Å; A107-N109 PolarHBondContact O-N 2.83Å
110L85.5Confident86.6Confident107 Ų10761 Ų6156%0.5633%0.334SS*.Hα-helixtrans-82.3-23.6171.8-64169.4000111.9A106 A107 E476A106-L110 PolarHBondContact O-N 2.68Å; A107-L110 PolarHBondContact O-N 2.8Å; A107-L110 VanDerWaalsContact O-N 3.12Å; L110-E476 VanDerWaalsContact CD1-OE2 3.23Å; L110-E476 WeakPolarHBondContact CD1-OE2 3.35Å
111A77.8Confident86.5Confident17 Ų1762.7 Ų62.714%0.1434%0.343CS..SBendtrans-62.9135.9176.900000113.3A107 F108 G113 A117 F473A107-A111 PolarHBondContact O-N 2.69Å; F108-A111 WeakPolarHBondContact O-CB 3.44Å; A111-G113 VanDerWaalsContact C-N 3.28Å; A111-G113 PolarHBondContact O-N 2.75Å; A111-A117 HydrophobicContact CB-CB 4.32Å; A111-F473 HydrophobicContact CB-CD2 3.69Å; A111-F473 HydrophobicContact CB-CE2 3.47Å; A111-F473 VanDerWaalsContact CB-CE2 3.47Å; A111-F473 HydrophobicContact CB-CG 4.33Å; A111-F473 HydrophobicContact CB-CZ 3.93Å
112T70.1Confident86.3Confident116 Ų11665.9 Ų65.971%0.71237%0.365SS*.  trans-80.568.9-177.3-47.60000113.1S114T112-S114 PolarHBondContact O-N 3.45Å; T112-S114 VanDerWaalsContact O-N 3.12Å
113G68.4Low86.3Confident39 Ų3968.3 Ų68.340%0.40237%0.37SS..  trans60.532.3146.900000118.7A111 R118A111-G113 VanDerWaalsContact C-N 3.28Å; A111-G113 PolarHBondContact O-N 2.75Å; G113-R118 VanDerWaalsContact C-NH1 3.34Å; G113-R118 PolarHBondContact O-NH1 3.47Å; G113-R118 PolarHBondContact O-NH2 3.13Å
114S80.1Confident86.2Confident52 Ų5264.2 Ų64.236%0.36435%0.354SS..  trans-68.8174.6165.576.50000111.7T112 E116 A117 R118T112-S114 PolarHBondContact O-N 3.45Å; T112-S114 VanDerWaalsContact O-N 3.12Å; S114-E116 WeakPolarHBondContact CB-OE2 3.27Å; S114-E116 PolarHBondContact OG-OE2 3.38Å; S114-A117 VanDerWaalsContact OG-CB 3.26Å; S114-A117 WeakPolarHBondContact OG-CB 3.34Å; S114-A117 PolarHBondContact OG-N 2.83Å; S114-R118 PolarHBondContact O-NH1 2.77Å
115K83.1Confident86.4Confident122 Ų12265.1 Ų65.153%0.5336%0.36SS..Hα-helixtrans-75.7-43.8176.2175.7179.8169.7-65.60110A117 R118 E119K115-A117 PolarHBondContact O-N 3.08Å; K115-R118 WeakPolarHBondContact O-CB 3.12Å; K115-R118 PolarHBondContact O-N 2.95Å; K115-R118 VanDerWaalsContact O-N 3.09Å; K115-E119 WeakPolarHBondContact CE-OE1 3.28Å; K115-E119 IonicContact NZ-OE1 2.63Å; K115-E119 PolarHBondContact NZ-OE1 3Å; K115-E119 IonicContact NZ-OE2 2.93Å; K115-E119 PolarHBondContact NZ-OE2 3.44Å; K115-E119 PolarHBondContact O-N 3.18Å
116E82.7Confident86.5Confident116 Ų11667.5 Ų67.554%0.54237%0.368SS..Hα-helixtrans-61.4-45.4-178.5-5766.2-143.800110S114 R118 E119 S120S114-E116 WeakPolarHBondContact CB-OE2 3.27Å; S114-E116 PolarHBondContact OG-OE2 3.38Å; E116-R118 VanDerWaalsContact C-N 3.29Å; E116-R118 PolarHBondContact O-N 2.89Å; E116-E119 PolarHBondContact O-N 2.88Å; E116-E119 VanDerWaalsContact O-N 3.13Å; E116-S120 PolarHBondContact O-N 3.2Å; E116-S120 PolarHBondContact O-OG 3.26Å; E116-S120 VanDerWaalsContact O-OG 3.13Å
117A83.6Confident86.7Confident13 Ų1365.2 Ų65.211%0.10735%0.35CS..Hα-helixtrans-64.9-28.8176.300000113.1F108 A111 S114 K115 L121F108-A117 HydrophobicContact CD1-CB 4.37Å; A111-A117 HydrophobicContact CB-CB 4.32Å; S114-A117 VanDerWaalsContact OG-CB 3.26Å; S114-A117 WeakPolarHBondContact OG-CB 3.34Å; S114-A117 PolarHBondContact OG-N 2.83Å; K115-A117 PolarHBondContact O-N 3.08Å; A117-L121 WeakPolarHBondContact O-CB 3.35Å; A117-L121 PolarHBondContact O-N 2.81Å
118R86.8Confident86.9Confident153 Ų15369.3 Ų69.358%0.57737%0.366SS*.Hα-helixtrans-73.8-35.5172.5-73.3-174.1-173.282.1-1.2112.3G113 S114 K115 E116 S122G113-R118 VanDerWaalsContact C-NH1 3.34Å; G113-R118 PolarHBondContact O-NH1 3.47Å; G113-R118 PolarHBondContact O-NH2 3.13Å; S114-R118 PolarHBondContact O-NH1 2.77Å; K115-R118 WeakPolarHBondContact O-CB 3.12Å; K115-R118 PolarHBondContact O-N 2.95Å; K115-R118 VanDerWaalsContact O-N 3.09Å; E116-R118 VanDerWaalsContact C-N 3.29Å; E116-R118 PolarHBondContact O-N 2.89Å; R118-S122 WeakPolarHBondContact O-CB 3.45Å; R118-S122 PolarHBondContact O-N 2.89Å
119E89.2Confident87.2Confident99 Ų9974.1 Ų74.146%0.46338%0.383SS..Hα-helixtrans-68.8-44.8176-74.1165-177.500110.1K115 E116 S122 E123K115-E119 WeakPolarHBondContact CE-OE1 3.28Å; K115-E119 IonicContact NZ-OE1 2.63Å; K115-E119 PolarHBondContact NZ-OE1 3Å; K115-E119 IonicContact NZ-OE2 2.93Å; K115-E119 PolarHBondContact NZ-OE2 3.44Å; K115-E119 PolarHBondContact O-N 3.18Å; E116-E119 PolarHBondContact O-N 2.88Å; E116-E119 VanDerWaalsContact O-N 3.13Å; E119-S122 WeakPolarHBondContact O-CB 3.35Å; E119-S122 PolarHBondContact O-N 3.01Å; E119-E123 PolarHBondContact O-N 2.82Å; E119-E123 VanDerWaalsContact O-N 3.12Å
120S90.1Very high87.6Confident51 Ų5172.9 Ų72.936%0.35737%0.374SS..Hα-helixtrans-63.4-40.4171.5-52.90000113.2E116 S122 E123 A124E116-S120 PolarHBondContact O-N 3.2Å; E116-S120 PolarHBondContact O-OG 3.26Å; E116-S120 VanDerWaalsContact O-OG 3.13Å; S120-S122 VanDerWaalsContact C-N 3.29Å; S120-S122 PolarHBondContact O-N 3.23Å; S120-E123 PolarHBondContact O-N 2.9Å; S120-A124 VanDerWaalsContact O-CB 3.3Å; S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 2.92Å
121L91.6Very high88.1Confident34 Ų3470.9 Ų70.918%0.17836%0.359CS..Hα-helixtrans-60.6-38.2173-179.162.3000111.8V105 F108 A117 N125V105-L121 HydrophobicContact CG1-CD1 4.17Å; F108-L121 HydrophobicContact CB-CB 3.86Å; F108-L121 HydrophobicContact CB-CD1 3.77Å; F108-L121 HydrophobicContact CB-CG 4.32Å; F108-L121 HydrophobicContact CG-CB 4.48Å; A117-L121 WeakPolarHBondContact O-CB 3.35Å; A117-L121 PolarHBondContact O-N 2.81Å; L121-N125 VanDerWaalsContact CD1-ND2 3.25Å; L121-N125 WeakPolarHBondContact CD1-ND2 3.29Å; L121-N125 WeakPolarHBondContact O-CB 3.25Å; L121-N125 PolarHBondContact O-N 2.98Å; L121-N125 PolarHBondContact O-ND2 2.92Å
122S92.4Very high88.9Confident69 Ų6971.4 Ų71.448%0.48336%0.361SS..Hα-helixtrans-64-49.9177.6-177.30000111.4R118 E119 S120 N125 K126R118-S122 WeakPolarHBondContact O-CB 3.45Å; R118-S122 PolarHBondContact O-N 2.89Å; E119-S122 WeakPolarHBondContact O-CB 3.35Å; E119-S122 PolarHBondContact O-N 3.01Å; S120-S122 VanDerWaalsContact C-N 3.29Å; S120-S122 PolarHBondContact O-N 3.23Å; S122-N125 PolarHBondContact O-N 2.85Å; S122-K126 WeakPolarHBondContact O-CB 3.38Å; S122-K126 PolarHBondContact O-N 3.37Å
123E92.9Very high90.1Very high102 Ų10271.5 Ų71.548%0.47735%0.353SS..Hα-helixtrans-68.9-37.3179-66.9-53.3108.300112.3E119 S120 N125 K126 G127E119-E123 PolarHBondContact O-N 2.82Å; E119-E123 VanDerWaalsContact O-N 3.12Å; S120-E123 PolarHBondContact O-N 2.9Å; E123-N125 PolarHBondContact O-N 3.05Å; E123-K126 WeakPolarHBondContact O-CB 3.5Å; E123-K126 PolarHBondContact O-N 3.09Å; E123-K126 VanDerWaalsContact O-N 3.14Å; E123-K126 IonicContact OE2-NZ 3.02Å; E123-K126 PolarHBondContact OE2-NZ 3.48Å; E123-G127 PolarHBondContact O-N 3.06Å
124A93.5Very high91.5Very high7 Ų774.4 Ų74.46%0.05836%0.356CS..Hα-helixtrans-63.1-40.5173.400000112.1M104 V105 F108 S120 K126 Y128M104-A124 HydrophobicContact CB-CB 3.93Å; M104-A124 HydrophobicContact CE-CB 4.49Å; V105-A124 VanDerWaalsContact CG2-C 3.45Å; V105-A124 HydrophobicContact CG2-CB 3.68Å; F108-A124 HydrophobicContact CD2-CB 4.31Å; F108-A124 HydrophobicContact CE2-CB 4.5Å; S120-A124 VanDerWaalsContact O-CB 3.3Å; S120-A124 WeakPolarHBondContact O-CB 3.35Å; S120-A124 PolarHBondContact O-N 2.92Å; A124-K126 VanDerWaalsContact C-N 3.32Å; A124-K126 PolarHBondContact O-N 2.93Å; A124-Y128 VanDerWaalsContact O-CB 3.32Å; A124-Y128 WeakPolarHBondContact O-CB 3.49Å; A124-Y128 PolarHBondContact O-N 2.86Å
125N94.8Very high92.2Very high55 Ų5571.9 Ų71.929%0.29434%0.339SS..Hα-helixtrans-67.2-32.1172.9-87.9-85.2000112.6V105 L121 S122 E123 R129V105-N125 HydrophobicContact CG2-CB 4.32Å; L121-N125 VanDerWaalsContact CD1-ND2 3.25Å; L121-N125 WeakPolarHBondContact CD1-ND2 3.29Å; L121-N125 WeakPolarHBondContact O-CB 3.25Å; L121-N125 PolarHBondContact O-N 2.98Å; L121-N125 PolarHBondContact O-ND2 2.92Å; S122-N125 PolarHBondContact O-N 2.85Å; E123-N125 PolarHBondContact O-N 3.05Å; N125-R129 WeakPolarHBondContact O-CG 3.05Å; N125-R129 PolarHBondContact O-N 3.47Å; N125-R129 PolarHBondContact O-NH1 2.91Å
126K95.6Very high92.8Very high72 Ų7266.8 Ų66.831%0.31332%0.318SS..Hα-helixtrans-69.3-54.9176.8-177.4-171122.3-153.60110.4S122 E123 A124 Y128 R129 E130S122-K126 WeakPolarHBondContact O-CB 3.38Å; S122-K126 PolarHBondContact O-N 3.37Å; E123-K126 WeakPolarHBondContact O-CB 3.5Å; E123-K126 PolarHBondContact O-N 3.09Å; E123-K126 VanDerWaalsContact O-N 3.14Å; E123-K126 IonicContact OE2-NZ 3.02Å; E123-K126 PolarHBondContact OE2-NZ 3.48Å; A124-K126 VanDerWaalsContact C-N 3.32Å; A124-K126 PolarHBondContact O-N 2.93Å; K126-Y128 VanDerWaalsContact C-N 3.32Å; K126-Y128 PolarHBondContact O-N 2.77Å; K126-R129 PolarHBondContact O-N 2.93Å; K126-E130 WeakPolarHBondContact CE-OE1 3.44Å; K126-E130 VanDerWaalsContact CE-OE2 3.28Å; K126-E130 WeakPolarHBondContact CE-OE2 3.32Å; K126-E130 HydrophobicContact CG-CG 4.47Å; K126-E130 VanDerWaalsContact CG-OE1 3.27Å; K126-E130 WeakPolarHBondContact CG-OE1 3.19Å; K126-E130 WeakPolarHBondContact O-CG 3.49Å; K126-E130 PolarHBondContact O-N 2.88Å
127G94.4Very high93.5Very high8 Ų864.4 Ų64.48%0.08231%0.314CS..Hα-helixtrans-54.7-45.6175.100000111.9E123 R129 E130 Y131E123-G127 PolarHBondContact O-N 3.06Å; G127-R129 VanDerWaalsContact C-N 3.28Å; G127-R129 PolarHBondContact O-N 3.13Å; G127-E130 PolarHBondContact O-N 2.72Å; G127-Y131 VanDerWaalsContact O-CB 3.22Å; G127-Y131 WeakPolarHBondContact O-CB 3.48Å; G127-Y131 WeakPolarHBondContact O-CD2 3.48Å; G127-Y131 PolarHBondContact O-N 2.89Å
128Y95.3Very high94.1Very high89 Ų8965.1 Ų65.135%0.34932%0.316SS..Hα-helixtrans-54.3-40175.4177.8-96.2000113.5R98 A124 K126 T132R98-Y128 HydrophobicContact CG-CD2 3.82Å; R98-Y128 HydrophobicContact CG-CE2 3.71Å; R98-Y128 WeakPolarHBondContact O-CD2 3.49Å; A124-Y128 VanDerWaalsContact O-CB 3.32Å; A124-Y128 WeakPolarHBondContact O-CB 3.49Å; A124-Y128 PolarHBondContact O-N 2.86Å; K126-Y128 VanDerWaalsContact C-N 3.32Å; K126-Y128 PolarHBondContact O-N 2.77Å; Y128-T132 VanDerWaalsContact O-CB 3.32Å; Y128-T132 WeakPolarHBondContact O-CB 3.4Å; Y128-T132 PolarHBondContact O-N 3.06Å; Y128-T132 VanDerWaalsContact O-N 3.09Å; Y128-T132 PolarHBondContact O-OG1 3.32Å
129R95.3Very high94.6Very high129 Ų12957.9 Ų57.949%0.48729%0.289SS..Hα-helixtrans-72.1-49.5176.1-68.4-173.1-50.5-84.80.7112N125 K126 G127 Y131 T132 E133N125-R129 WeakPolarHBondContact O-CG 3.05Å; N125-R129 PolarHBondContact O-N 3.47Å; N125-R129 PolarHBondContact O-NH1 2.91Å; K126-R129 PolarHBondContact O-N 2.93Å; G127-R129 VanDerWaalsContact C-N 3.28Å; G127-R129 PolarHBondContact O-N 3.13Å; R129-Y131 VanDerWaalsContact C-N 3.32Å; R129-Y131 PolarHBondContact O-N 3.27Å; R129-T132 WeakPolarHBondContact O-CA 3.4Å; R129-T132 WeakPolarHBondContact O-CB 3.3Å; R129-T132 PolarHBondContact O-N 2.85Å; R129-E133 WeakPolarHBondContact O-CG 3.24Å; R129-E133 PolarHBondContact O-N 3.14Å
130E95.4Very high94.8Very high81 Ų8156.8 Ų56.838%0.37929%0.286SS..Hα-helixtrans-56.9-46.8179.7-69.9166.8170.300110.4K126 G127 T132 E133 H134K126-E130 WeakPolarHBondContact CE-OE1 3.44Å; K126-E130 VanDerWaalsContact CE-OE2 3.28Å; K126-E130 WeakPolarHBondContact CE-OE2 3.32Å; K126-E130 HydrophobicContact CG-CG 4.47Å; K126-E130 VanDerWaalsContact CG-OE1 3.27Å; K126-E130 WeakPolarHBondContact CG-OE1 3.19Å; K126-E130 WeakPolarHBondContact O-CG 3.49Å; K126-E130 PolarHBondContact O-N 2.88Å; G127-E130 PolarHBondContact O-N 2.72Å; E130-T132 PolarHBondContact O-N 3.47Å; E130-E133 PolarHBondContact O-N 2.73Å; E130-H134 WeakPolarHBondContact O-CB 3.42Å; E130-H134 PolarHBondContact O-CD2 2.86Å; E130-H134 VanDerWaalsContact O-CG 3.28Å; E130-H134 PolarHBondContact O-N 3.49Å
131Y96.4Very high95.1Very high64 Ų6458.4 Ų58.425%0.25129%0.288SS..Hα-helixtrans-62.6-37.6173.9-59.5-25.3000113L97 A101 G127 R129 H134 M135L97-Y131 VanDerWaalsContact C-CD2 3.43Å; L97-Y131 HydrophobicContact CB-CD1 4.33Å; L97-Y131 HydrophobicContact CB-CD2 3.82Å; L97-Y131 HydrophobicContact CB-CE1 4.27Å; L97-Y131 HydrophobicContact CB-CE2 3.77Å; L97-Y131 HydrophobicContact CB-CG 4.1Å; L97-Y131 HydrophobicContact CD1-CE1 4.19Å; L97-Y131 WeakPolarHBondContact O-CD2 3.36Å; L97-Y131 WeakPolarHBondContact O-CE2 3.36Å; A101-Y131 HydrophobicContact CB-CD2 3.99Å; A101-Y131 HydrophobicContact CB-CE2 4.06Å; G127-Y131 VanDerWaalsContact O-CB 3.22Å; G127-Y131 WeakPolarHBondContact O-CB 3.48Å; G127-Y131 WeakPolarHBondContact O-CD2 3.48Å; G127-Y131 PolarHBondContact O-N 2.89Å; R129-Y131 VanDerWaalsContact C-N 3.32Å; R129-Y131 PolarHBondContact O-N 3.27Å; Y131-H134 PolarHBondContact O-N 2.94Å; Y131-M135 VanDerWaalsContact O-CG 3.3Å; Y131-M135 WeakPolarHBondContact O-CG 3.38Å; Y131-M135 PolarHBondContact O-N 3.14Å
132T95.8Very high95.3Very high28 Ų2856.9 Ų56.917%0.17228%0.28CS..Hα-helixtrans-66.8-40.4175.1-61.90000112P14 R98 Y128 R129 E130 M135 C136P14-T132 HydrophobicContact CG-CG2 4.04Å; R98-T132 WeakPolarHBondContact CD-OG1 3.05Å; Y128-T132 VanDerWaalsContact O-CB 3.32Å; Y128-T132 WeakPolarHBondContact O-CB 3.4Å; Y128-T132 PolarHBondContact O-N 3.06Å; Y128-T132 VanDerWaalsContact O-N 3.09Å; Y128-T132 PolarHBondContact O-OG1 3.32Å; R129-T132 WeakPolarHBondContact O-CA 3.4Å; R129-T132 WeakPolarHBondContact O-CB 3.3Å; R129-T132 PolarHBondContact O-N 2.85Å; E130-T132 PolarHBondContact O-N 3.47Å; T132-M135 PolarHBondContact O-N 3.15Å; T132-C136 PolarHBondContact O-N 3.34Å; T132-C136 VanDerWaalsContact O-N 3.13Å; T132-C136 PolarHBondContact O-SG 3.03Å
133E95.6Very high95.4Very high119 Ų11954.9 Ų54.956%0.55626%0.263SS*.Hα-helixtrans-68.6-36.8176.4-70.8174.5-157.400111.6R129 E130 C136 S137R129-E133 WeakPolarHBondContact O-CG 3.24Å; R129-E133 PolarHBondContact O-N 3.14Å; E130-E133 PolarHBondContact O-N 2.73Å; E133-C136 PolarHBondContact O-N 2.76Å; E133-S137 PolarHBondContact O-N 2.91Å; E133-S137 PolarHBondContact O-OG 3.26Å
134H96.3Very high95.5Very high99 Ų9953.5 Ų53.546%0.45827%0.265SS..Hα-helixtrans-64.4-45.9172.1-72.5-166.7000112.1Q94 E130 Y131 C136 S137 L138Q94-H134 HydrophobicContact CG-CB 3.71Å; Q94-H134 VanDerWaalsContact OE1-CB 3.28Å; Q94-H134 PolarHBondContact OE1-ND1 3Å; E130-H134 WeakPolarHBondContact O-CB 3.42Å; E130-H134 PolarHBondContact O-CD2 2.86Å; E130-H134 VanDerWaalsContact O-CG 3.28Å; E130-H134 PolarHBondContact O-N 3.49Å; Y131-H134 PolarHBondContact O-N 2.94Å; H134-C136 VanDerWaalsContact C-N 3.32Å; H134-C136 PolarHBondContact O-N 2.85Å; H134-S137 WeakPolarHBondContact O-CA 3.48Å; H134-S137 WeakPolarHBondContact O-CB 3.34Å; H134-S137 PolarHBondContact O-N 3.26Å; H134-L138 PolarHBondContact O-N 3.45Å
135M96.4Very high95.6Very high0 Ų055.8 Ų55.80%027%0.274CS..Hα-helixtrans-57.5-45.2175.5-72.1-177.576.800111.7P14 P16 Y91 Q94 R95 R98 Y131 T132 S137 L138 E139P14-M135 HydrophobicContact CB-CB 3.82Å; P14-M135 HydrophobicContact CB-CE 4.36Å; P14-M135 HydrophobicContact CG-CB 4.21Å; P14-M135 HydrophobicContact CG-SD 4.44Å; P16-M135 HydrophobicContact CB-CE 4.43Å; P16-M135 HydrophobicContact CG-CE 3.79Å; Y91-M135 HydrophobicContact CD1-CE 4.33Å; Y91-M135 HydrophobicContact CD2-CB 4.25Å; Y91-M135 HydrophobicContact CD2-CE 4.33Å; Y91-M135 HydrophobicContact CD2-CG 4.37Å; Y91-M135 HydrophobicContact CE1-CE 3.62Å; Y91-M135 HydrophobicContact CE2-CB 3.71Å; Y91-M135 HydrophobicContact CE2-CE 3.62Å; Y91-M135 HydrophobicContact CE2-CG 4.09Å; Y91-M135 WeakPolarHBondContact CE2-O 3.26Å; Y91-M135 WeakPolarHBondContact OH-CE 3.16Å; Q94-M135 HydrophobicContact CB-CG 4.13Å; Q94-M135 HydrophobicContact CG-CG 3.69Å; R95-M135 HydrophobicContact CB-CE 3.58Å; R95-M135 HydrophobicContact CB-SD 4.25Å; R95-M135 HydrophobicContact CG-CE 3.89Å; R98-M135 HydrophobicContact CB-SD 3.98Å; R98-M135 VanDerWaalsContact CD-SD 3.58Å; R98-M135 HydrophobicContact CG-SD 4.33Å; R98-M135 PolarHBondContact NH1-SD 3.32Å; Y131-M135 VanDerWaalsContact O-CG 3.3Å; Y131-M135 WeakPolarHBondContact O-CG 3.38Å; Y131-M135 PolarHBondContact O-N 3.14Å; T132-M135 PolarHBondContact O-N 3.15Å; M135-S137 PolarHBondContact O-N 2.99Å; M135-L138 PolarHBondContact O-N 2.99Å; M135-E139 WeakPolarHBondContact O-CG 3.35Å; M135-E139 PolarHBondContact O-N 2.92Å
136C95.4Very high95.6Very high14 Ų1453.3 Ų53.310%0.09526%0.261CS..Hα-helixtrans-64.9-27.4176.2-64.50000113.1K12 P14 T132 E133 H134 N140K12-C136 PolarHBondContact O-SG 3.27Å; P14-C136 VanDerWaalsContact CD-SG 3.52Å; T132-C136 PolarHBondContact O-N 3.34Å; T132-C136 VanDerWaalsContact O-N 3.13Å; T132-C136 PolarHBondContact O-SG 3.03Å; E133-C136 PolarHBondContact O-N 2.76Å; H134-C136 VanDerWaalsContact C-N 3.32Å; H134-C136 PolarHBondContact O-N 2.85Å; C136-N140 VanDerWaalsContact O-CG 3.23Å; C136-N140 PolarHBondContact O-N 3.13Å; C136-N140 PolarHBondContact O-ND2 3.42Å
137S96.3Very high95.6Very high67 Ų6750.2 Ų50.247%0.46925%0.249SC..Hα-helixtrans-72.7-48.7176.1-58.10000110.7E133 H134 M135 E139 N140 E141E133-S137 PolarHBondContact O-N 2.91Å; E133-S137 PolarHBondContact O-OG 3.26Å; H134-S137 WeakPolarHBondContact O-CA 3.48Å; H134-S137 WeakPolarHBondContact O-CB 3.34Å; H134-S137 PolarHBondContact O-N 3.26Å; M135-S137 PolarHBondContact O-N 2.99Å; S137-E139 VanDerWaalsContact C-N 3.29Å; S137-E139 PolarHBondContact O-N 3.27Å; S137-N140 PolarHBondContact O-N 3.42Å; S137-E141 PolarHBondContact O-N 3.21Å
138L97.1Very high95.6Very high28 Ų2850.4 Ų50.415%0.14725%0.248CC..Hα-helixtrans-59.8-35.4174.2-70.9166.7000112.4L87 A90 Y91 Q94 H134 M135 E141 L142L87-L138 HydrophobicContact CD2-CD2 4.21Å; A90-L138 HydrophobicContact CB-CD1 4.39Å; A90-L138 HydrophobicContact CB-CD2 4.24Å; Y91-L138 HydrophobicContact CD2-CB 3.97Å; Y91-L138 HydrophobicContact CD2-CD1 4.46Å; Q94-L138 HydrophobicContact CB-CD1 4.12Å; Q94-L138 HydrophobicContact CG-CD1 4.41Å; H134-L138 PolarHBondContact O-N 3.45Å; M135-L138 PolarHBondContact O-N 2.99Å; L138-E141 PolarHBondContact O-N 2.96Å; L138-L142 PolarHBondContact O-N 3.43Å
139E96.1Very high95.7Very high0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-61-44171-80.2169.9-162.600112.5P14 Q15 L19 Y91 M135 S137 E141 L142 E143P14-E139 WeakPolarHBondContact CA-OE1 3.26Å; P14-E139 WeakPolarHBondContact CB-OE1 3.41Å; Q15-E139 PolarHBondContact N-OE1 2.85Å; L19-E139 HydrophobicContact CD1-CG 4.14Å; L19-E139 HydrophobicContact CD2-CG 4.23Å; Y91-E139 HydrophobicContact CD2-CG 4.45Å; Y91-E139 HydrophobicContact CE2-CG 3.67Å; Y91-E139 WeakPolarHBondContact CE2-OE1 3.45Å; Y91-E139 PolarHBondContact OH-OE1 3.02Å; M135-E139 WeakPolarHBondContact O-CG 3.35Å; M135-E139 PolarHBondContact O-N 2.92Å; S137-E139 VanDerWaalsContact C-N 3.29Å; S137-E139 PolarHBondContact O-N 3.27Å; E139-E141 VanDerWaalsContact C-N 3.31Å; E139-L142 PolarHBondContact O-N 2.89Å; E139-E143 WeakPolarHBondContact O-CG 3.34Å; E139-E143 PolarHBondContact O-N 2.89Å
140N94.7Very high95.6Very high76 Ų7641.7 Ų41.741%0.40622%0.216SC..Hα-helixtrans-69.7-31.2176.2-55.1-50.7000111.7K12 C136 S137 E143 S144K12-N140 PolarHBondContact NZ-OD1 3.07Å; C136-N140 VanDerWaalsContact O-CG 3.23Å; C136-N140 PolarHBondContact O-N 3.13Å; C136-N140 PolarHBondContact O-ND2 3.42Å; S137-N140 PolarHBondContact O-N 3.42Å; N140-E143 PolarHBondContact O-N 2.79Å; N140-S144 PolarHBondContact O-N 3.25Å; N140-S144 VanDerWaalsContact O-N 3.13Å
141E95.8Very high95.6Very high85 Ų8537.9 Ų37.940%0.39720%0.199SC..Hα-helixtrans-69.3-43176-165.2167174.100110.6L87 S137 L138 E139 S144 Q145L87-E141 HydrophobicContact CD1-CG 4.09Å; L87-E141 HydrophobicContact CD2-CB 4.48Å; L87-E141 HydrophobicContact CD2-CG 3.89Å; S137-E141 PolarHBondContact O-N 3.21Å; L138-E141 PolarHBondContact O-N 2.96Å; E139-E141 VanDerWaalsContact C-N 3.31Å; E141-S144 WeakPolarHBondContact O-CB 3.05Å; E141-S144 PolarHBondContact O-N 3.45Å; E141-S144 PolarHBondContact O-OG 2.69Å; E141-Q145 PolarHBondContact O-N 3.26Å
142L95.8Very high95.4Very high2 Ų237.6 Ų37.61%0.0120%0.198CC..Hα-helixtrans-64.5-39.5171.2-15878.1000111.9L19 V84 L87 L138 E139 S144 Q145 M146L19-L142 HydrophobicContact CD1-CB 4.37Å; L19-L142 HydrophobicContact CD1-CD2 3.46Å; L19-L142 VanDerWaalsContact CD1-CD2 3.46Å; L19-L142 HydrophobicContact CD2-CD2 4.44Å; L19-L142 HydrophobicContact CG-CD2 3.97Å; V84-L142 HydrophobicContact CG1-CD1 4.34Å; L87-L142 HydrophobicContact CB-CD1 4.13Å; L87-L142 HydrophobicContact CD1-CD1 4.5Å; L138-L142 PolarHBondContact O-N 3.43Å; E139-L142 PolarHBondContact O-N 2.89Å; L142-S144 PolarHBondContact O-N 3.21Å; L142-Q145 PolarHBondContact O-N 3.41Å; L142-M146 WeakPolarHBondContact O-CG 3.32Å; L142-M146 PolarHBondContact O-N 2.88Å
143E94.8Very high95.1Very high27 Ų2737 Ų3713%0.12619%0.194CC..Hα-helixtrans-53.7-33.7171-76.1-176.3150.200111.4K12 E139 N140 M146 V207K12-E143 IonicContact NZ-OE1 2.77Å; K12-E143 IonicContact NZ-OE2 3.97Å; K12-E143 PolarHBondContact NZ-OE2 2.96Å; E139-E143 WeakPolarHBondContact O-CG 3.34Å; E139-E143 PolarHBondContact O-N 2.89Å; N140-E143 PolarHBondContact O-N 2.79Å; E143-M146 HydrophobicContact CG-SD 4.43Å; E143-V207 HydrophobicContact CG-CB 4.14Å; E143-V207 HydrophobicContact CG-CG2 3.61Å; E143-V207 PolarHBondContact OE1-N 3.36Å
144S93.9Very high94.4Very high73 Ų7335.2 Ų35.251%0.5118%0.184SC..Hα-helixtrans-73.6-26.5176.182.40000114.7N140 E141 L142N140-S144 PolarHBondContact O-N 3.25Å; N140-S144 VanDerWaalsContact O-N 3.13Å; E141-S144 WeakPolarHBondContact O-CB 3.05Å; E141-S144 PolarHBondContact O-N 3.45Å; E141-S144 PolarHBondContact O-OG 2.69Å; L142-S144 PolarHBondContact O-N 3.21Å
145Q95.4Very high92.8Very high56 Ų5636.1 Ų36.126%0.26219%0.192SC..Hα-helixtrans-87.1-13.4-179.6-59.1-50.7-79.100112.9H80 V84 L87 E141 L142 G147H80-Q145 PolarHBondContact CE1-O 3.11Å; H80-Q145 PolarHBondContact NE2-O 2.95Å; V84-Q145 HydrophobicContact CG2-CB 3.94Å; L87-Q145 HydrophobicContact CD1-CG 3.69Å; E141-Q145 PolarHBondContact O-N 3.26Å; L142-Q145 PolarHBondContact O-N 3.41Å; Q145-G147 PolarHBondContact O-N 2.84Å; Q145-G147 VanDerWaalsContact O-N 3.11Å
146M95.8Very high90.9Very high2 Ų240.4 Ų40.41%0.0122%0.218CC..SBendtrans-68-12-178-67.4161.482.200114.4V22 L26 L142 E143 P205 V207 F238 W263V22-M146 HydrophobicContact CG1-CE 3.3Å; V22-M146 HydrophobicContact CG1-SD 3.83Å; L26-M146 HydrophobicContact CD2-CG 3.94Å; L142-M146 WeakPolarHBondContact O-CG 3.32Å; L142-M146 PolarHBondContact O-N 2.88Å; E143-M146 HydrophobicContact CG-SD 4.43Å; M146-P205 HydrophobicContact CB-CB 3.55Å; M146-P205 HydrophobicContact CB-CG 3.74Å; M146-P205 HydrophobicContact CE-CB 3.62Å; M146-P205 HydrophobicContact CG-CB 4.33Å; M146-P205 HydrophobicContact SD-CB 4.17Å; M146-V207 HydrophobicContact SD-CG2 4.11Å; M146-F238 HydrophobicContact CB-CE1 4.28Å; M146-F238 HydrophobicContact CB-CZ 4.25Å; M146-F238 HydrophobicContact CE-CE2 4.14Å; M146-F238 HydrophobicContact CE-CZ 3.65Å; M146-F238 HydrophobicContact CG-CZ 4.36Å; M146-W263 PolarHBondContact O-NE1 3.4Å
147G94.8Very high89.4Confident7 Ų742.7 Ų42.77%0.07224%0.235CC..  trans81.3-136.3175.600000114.2Q145 P205 S264Q145-G147 PolarHBondContact O-N 2.84Å; Q145-G147 VanDerWaalsContact O-N 3.11Å; G147-P205 WeakPolarHBondContact O-CD 3.44Å; G147-S264 WeakPolarHBondContact CA-O 3.23Å
148E95.8Very high88.6Confident13 Ų1339.6 Ų39.66%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-139.4130.7-175.3-74-167.2122.300113.1H150 T202 W263 S264 R268E148-H150 IonicContact OE2-CE1 3.34Å; E148-H150 PolarHBondContact OE2-CE1 2.85Å; E148-H150 IonicContact OE2-NE2 2.72Å; E148-T202 HydrophobicContact CB-CG2 3.65Å; E148-T202 VanDerWaalsContact CD-CG2 3.41Å; E148-T202 HydrophobicContact CG-CG2 3.83Å; E148-T202 WeakPolarHBondContact OE1-CG2 3.5Å; E148-W263 CarbonylContact O-C 3.37Å; E148-W263 WeakPolarHBondContact O-CA 3.46Å; E148-S264 PolarHBondContact N-O 3.17Å; E148-S264 PolarHBondContact O-N 2.78Å; E148-R268 WeakPolarHBondContact OE1-CD 3.43Å; E148-R268 WeakPolarHBondContact OE1-CG 3.3Å; E148-R268 WeakPolarHBondContact OE2-CG 3.2Å; E148-R268 IonicContact OE2-NE 3.13Å
149F96.1Very high88.3Confident1 Ų138.3 Ų38.30%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-91.5109.2164.3-66.5-49.5000110.7V151 T202 F203 P205 M234 L237 F238 V261 W263F149-V151 HydrophobicContact CB-CG2 4.35Å; F149-V151 PolarHBondContact O-N 2.8Å; F149-T202 WeakPolarHBondContact O-CA 3.43Å; F149-F203 PolarHBondContact N-O 2.78Å; F149-F203 PolarHBondContact O-N 3.45Å; F149-P205 HydrophobicContact CD2-CB 4.27Å; F149-P205 HydrophobicContact CD2-CG 3.77Å; F149-P205 HydrophobicContact CE2-CB 3.87Å; F149-P205 HydrophobicContact CE2-CG 3.66Å; F149-P205 HydrophobicContact CG-CG 4.39Å; F149-P205 HydrophobicContact CZ-CG 4.19Å; F149-M234 HydrophobicContact CD2-CB 4.5Å; F149-M234 HydrophobicContact CD2-CE 3.75Å; F149-M234 HydrophobicContact CD2-SD 4Å; F149-M234 HydrophobicContact CE2-CB 3.87Å; F149-M234 HydrophobicContact CE2-CE 4.01Å; F149-M234 HydrophobicContact CE2-SD 4.33Å; F149-M234 HydrophobicContact CZ-CB 4.41Å; F149-L237 HydrophobicContact CD1-CB 4.22Å; F149-L237 HydrophobicContact CE1-CB 3.66Å; F149-L237 HydrophobicContact CZ-CB 3.95Å; F149-F238 HydrophobicContact CE1-CD1 4.09Å; F149-F238 HydrophobicContact CE1-CE1 4.09Å; F149-F238 HydrophobicContact CE2-CE1 4.39Å; F149-F238 HydrophobicContact CE2-CZ 4.2Å; F149-F238 AromaticContact CZ-CD1 3.9Å; F149-F238 HydrophobicContact CZ-CD1 3.9Å; F149-F238 HydrophobicContact CZ-CD2 4.32Å; F149-F238 AromaticContact CZ-CE1 3.58Å; F149-F238 HydrophobicContact CZ-CE1 3.58Å; F149-F238 HydrophobicContact CZ-CE2 4.05Å; F149-F238 HydrophobicContact CZ-CG 4.24Å; F149-F238 AromaticContact CZ-CZ 3.66Å; F149-F238 HydrophobicContact CZ-CZ 3.66Å; F149-V261 HydrophobicContact CB-CG1 4.06Å; F149-V261 HydrophobicContact CD1-CG1 4.12Å; F149-V261 HydrophobicContact CG-CG1 4.33Å; F149-W263 HydrophobicContact CD1-CB 3.83Å; F149-W263 AromaticContact CD1-CD1 3.81Å; F149-W263 HydrophobicContact CD1-CG 4.09Å; F149-W263 HydrophobicContact CE1-CB 3.89Å; F149-W263 AromaticContact CE1-CD1 3.7Å; F149-W263 AromaticContact CE1-CG 3.88Å; F149-W263 HydrophobicContact CE1-CG 3.88Å
150H94.9Very high87.8Confident34 Ų3439.7 Ų39.716%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-82.7108.5170.5-66.649.4000108.8E148 E200 V261 T262E148-H150 IonicContact OE2-CE1 3.34Å; E148-H150 PolarHBondContact OE2-CE1 2.85Å; E148-H150 IonicContact OE2-NE2 2.72Å; H150-E200 IonicContact CD2-OE1 2.63Å; H150-V261 WeakPolarHBondContact O-CA 3.4Å; H150-T262 WeakPolarHBondContact CB-O 3.26Å; H150-T262 PolarHBondContact N-O 3.16Å; H150-T262 PolarHBondContact O-N 3.01Å
151V94.9Very high87.3Confident1 Ų136.9 Ų36.91%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-107.5126.7-175.5-176.40000110.1F149 W182 E200 F201 F203 L259 V261F149-V151 HydrophobicContact CB-CG2 4.35Å; F149-V151 PolarHBondContact O-N 2.8Å; V151-W182 HydrophobicContact CB-CZ3 4.32Å; V151-W182 HydrophobicContact CG1-CZ3 3.82Å; V151-E200 CarbonylContact O-C 3.52Å; V151-E200 WeakPolarHBondContact O-CA 3.47Å; V151-F201 PolarHBondContact N-O 2.69Å; V151-F201 PolarHBondContact O-N 3.07Å; V151-F203 HydrophobicContact CB-CD2 4.27Å; V151-F203 HydrophobicContact CB-CE2 4.36Å; V151-F203 HydrophobicContact CG2-CD2 3.72Å; V151-F203 HydrophobicContact CG2-CE2 4.18Å; V151-L259 HydrophobicContact CG1-CB 4.46Å; V151-L259 HydrophobicContact CG1-CD1 4.15Å; V151-V261 HydrophobicContact CG1-CG2 4.21Å; V151-V261 HydrophobicContact CG2-CG1 4.1Å; V151-V261 HydrophobicContact CG2-CG2 4.05Å
152K91.9Very high85.6Confident57 Ų5740.1 Ų40.125%0.24822%0.22CC..EExtended strand (participates in β ladder)trans-117.2148.1176.7-67.3174.1-176.7167.60111.3E199 E200 L259 E260K152-E199 CarbonylContact C-O 3.53Å; K152-E199 VanDerWaalsContact CA-O 3.26Å; K152-E199 WeakPolarHBondContact CA-O 3.29Å; K152-E200 WeakPolarHBondContact CE-OE1 3.33Å; K152-E200 VanDerWaalsContact CE-OE2 3.29Å; K152-E200 WeakPolarHBondContact CE-OE2 3.33Å; K152-E200 HydrophobicContact CG-CB 3.93Å; K152-E200 HydrophobicContact CG-CG 3.76Å; K152-E200 IonicContact NZ-OE1 3.75Å; K152-L259 CarbonylContact O-C 3.56Å; K152-L259 VanDerWaalsContact O-CA 3.3Å; K152-L259 WeakPolarHBondContact O-CA 3.39Å; K152-E260 HydrophobicContact CB-CB 4.33Å; K152-E260 PolarHBondContact N-O 3.26Å; K152-E260 PolarHBondContact O-N 2.98Å
153M88.8Confident83.7Confident15 Ų1545.4 Ų45.47%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-79.3125.1166.1-170.3149.9-162.700109.1D155 L159 L184 W196 E199 L257M153-D155 PolarHBondContact O-N 3.06Å; M153-L159 HydrophobicContact CE-CB 4.25Å; M153-L184 HydrophobicContact CB-CD2 4.11Å; M153-L184 HydrophobicContact CG-CD2 4.41Å; M153-L184 HydrophobicContact SD-CD2 3.4Å; M153-L184 WeakPolarHBondContact SD-CD2 3.41Å; M153-W196 HydrophobicContact CE-CD2 3.86Å; M153-W196 HydrophobicContact CE-CE3 4.2Å; M153-W196 HydrophobicContact CE-CH2 3.67Å; M153-W196 HydrophobicContact CE-CZ2 3.24Å; M153-W196 HydrophobicContact CE-CZ3 4.11Å; M153-W196 HydrophobicContact SD-CD2 3.43Å; M153-W196 VanDerWaalsContact SD-CE2 3.52Å; M153-W196 HydrophobicContact SD-CE3 3.78Å; M153-W196 HydrophobicContact SD-CG 3.8Å; M153-W196 HydrophobicContact SD-CH2 4.34Å; M153-W196 HydrophobicContact SD-CZ2 4.02Å; M153-W196 HydrophobicContact SD-CZ3 4.22Å; M153-E199 PolarHBondContact N-O 3.33Å; M153-L257 HydrophobicContact CE-CD1 3.5Å; M153-L257 VanDerWaalsContact CE-CD1 3.5Å
154K82.5Confident82.5Confident82 Ų8250.1 Ų50.136%0.35728%0.28SS..PPolyproline II helixtrans-70.1128.4-174.4-166.4160.7-169167.20110.6G158 T244 N258K154-G158 WeakPolarHBondContact O-CA 3.45Å; K154-G158 PolarHBondContact O-N 3.14Å; K154-T244 HydrophobicContact CD-CG2 3.79Å; K154-T244 PolarHBondContact NZ-OG1 3.17Å; K154-N258 HydrophobicContact CB-CB 3.88Å; K154-N258 WeakPolarHBondContact CB-O 3.49Å; K154-N258 PolarHBondContact N-O 2.92Å
155D62.8Low82Confident118 Ų11848.3 Ų48.363%0.63127%0.265SS*.SBendtrans-67.7161.8-162.5-143.6-26.6000113.9M153 S157M153-D155 PolarHBondContact O-N 3.06Å; D155-S157 PolarHBondContact O-N 2.59Å
156V54.7Low81.5Confident90 Ų9049 Ų4955%0.54528%0.275SS..SBendtrans66-42-176.2-170.90000115.6Q194V156-Q194 PolarHBondContact O-N 3.32Å
157S65.5Low81.2Confident63 Ų6351.5 Ų51.544%0.44130%0.296SS..  trans-144.943.5-174.656.50000114.2D155 L159 N258D155-S157 PolarHBondContact O-N 2.59Å; S157-L159 CarbonylContact O-C 3.57Å; S157-L159 PolarHBondContact O-N 3.25Å; S157-L159 VanDerWaalsContact O-N 3.14Å; S157-N258 PolarHBondContact O-ND2 3.36Å
158G79.6Confident80.8Confident1 Ų153 Ų531%0.0131%0.311CS..SBendtrans-53.6-31.5-179.700000115K154 L257 N258K154-G158 WeakPolarHBondContact O-CA 3.45Å; K154-G158 PolarHBondContact O-N 3.14Å; G158-L257 CarbonylContact O-C 3.58Å; G158-L257 WeakPolarHBondContact O-CA 3.44Å; G158-N258 PolarHBondContact O-N 3.01Å
159L88.9Confident80.6Confident1 Ų154.1 Ų54.11%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-107.1114164.8-170.470.6000108.8M153 S157 L165 Y171 Q194 W196 V215 V255 L257M153-L159 HydrophobicContact CE-CB 4.25Å; S157-L159 CarbonylContact O-C 3.57Å; S157-L159 PolarHBondContact O-N 3.25Å; S157-L159 VanDerWaalsContact O-N 3.14Å; L159-L165 HydrophobicContact CD2-CD2 4.03Å; L159-L165 HydrophobicContact CG-CD1 4.38Å; L159-L165 HydrophobicContact CG-CD2 4.48Å; L159-L165 WeakPolarHBondContact O-CD1 3.45Å; L159-Y171 HydrophobicContact CD2-CD1 4.19Å; L159-Y171 HydrophobicContact CD2-CD2 3.9Å; L159-Y171 HydrophobicContact CD2-CE2 4.31Å; L159-Y171 HydrophobicContact CD2-CG 3.84Å; L159-Q194 PolarHBondContact O-NE2 3.45Å; L159-Q194 PolarHBondContact O-OE1 2.86Å; L159-W196 HydrophobicContact CB-CH2 4.24Å; L159-W196 HydrophobicContact CB-CZ2 3.88Å; L159-W196 HydrophobicContact CD2-CH2 4.48Å; L159-V215 HydrophobicContact CD1-CG1 4.28Å; L159-V215 HydrophobicContact CD1-CG2 4.5Å; L159-V215 HydrophobicContact CD2-CG1 4.17Å; L159-V255 HydrophobicContact CD1-CG1 3.7Å; L159-V255 HydrophobicContact CG-CG1 4.14Å; L159-L257 HydrophobicContact CD1-CD1 3.99Å
160A87.3Confident80.4Confident29 Ų2957.6 Ų57.624%0.2433%0.334CS..EExtended strand (participates in β ladder)trans-97.1137.217300000110V255 K256A160-V255 CarbonylContact O-C 3.59Å; A160-V255 VanDerWaalsContact O-CA 3.27Å; A160-V255 WeakPolarHBondContact O-CA 3.37Å; A160-K256 PolarHBondContact N-O 3.16Å; A160-K256 PolarHBondContact O-N 2.86Å
161G83Confident80.3Confident17 Ų1756.3 Ų56.318%0.17533%0.327CS..EExtended strand (participates in β ladder)trans-154.1105.9179.700000113A163 R164 T254G161-A163 PolarHBondContact O-N 3.4Å; G161-A163 VanDerWaalsContact O-N 3.12Å; G161-R164 PolarHBondContact O-N 3.48Å; G161-T254 WeakPolarHBondContact CA-O 3.41Å
162F61.3Low80.3Confident154 Ų15457.6 Ų57.668%0.67533%0.334SS*.THydrogen-bonded Turntrans-62.7114.2-174.7-66.3-81.8000111R164 T254F162-R164 PolarHBondContact O-N 2.84Å; F162-T254 PolarHBondContact N-O 2.85Å; F162-T254 VanDerWaalsContact N-O 3.07Å
163A55.4Low80.5Confident112 Ų11254.9 Ų54.993%0.92632%0.322SS*.THydrogen-bonded Turntrans53.219.5-176.600000115.7G161G161-A163 PolarHBondContact O-N 3.4Å; G161-A163 VanDerWaalsContact O-N 3.12Å
164R69.1Low80.8Confident127 Ų12756.1 Ų56.148%0.47933%0.329SS..THydrogen-bonded Turntrans-115.7-18.7-175.1-83.1-177.3163.1-167.3-12.4115.3G161 F162 Y171 T254G161-R164 PolarHBondContact O-N 3.48Å; F162-R164 PolarHBondContact O-N 2.84Å; R164-Y171 PolarHBondContact O-OH 3.49Å; R164-T254 PolarHBondContact NH1-OG1 3.07Å
165L82.9Confident81.5Confident34 Ų3452.2 Ų52.218%0.17831%0.312CS..  trans-100.4120.5177.7-48.7-178.6000108.8L159 Y171 V188L159-L165 HydrophobicContact CD2-CD2 4.03Å; L159-L165 HydrophobicContact CG-CD1 4.38Å; L159-L165 HydrophobicContact CG-CD2 4.48Å; L159-L165 WeakPolarHBondContact O-CD1 3.45Å; L165-Y171 HydrophobicContact CD2-CE1 4.34Å; L165-Y171 HydrophobicContact CD2-CE2 3.72Å; L165-Y171 VanDerWaalsContact CD2-OH 3.3Å; L165-Y171 WeakPolarHBondContact CD2-OH 3.45Å; L165-V188 HydrophobicContact CB-CG2 4.34Å
166C86.2Confident83.2Confident72 Ų7253 Ų5349%0.48631%0.306SS..  trans-115.3153-179.3-67.10000111.9G168 D169 V188C166-G168 PolarHBondContact O-N 2.84Å; C166-D169 WeakPolarHBondContact CA-OD2 3.4Å; C166-D169 WeakPolarHBondContact CB-OD2 3.38Å; C166-D169 PolarHBondContact N-OD2 2.95Å; C166-D169 VanDerWaalsContact O-CB 3.25Å; C166-D169 WeakPolarHBondContact O-CB 3.46Å; C166-D169 PolarHBondContact O-N 2.91Å; C166-D169 VanDerWaalsContact O-N 3.08Å; C166-V188 WeakPolarHBondContact O-CB 3.15Å; C166-V188 WeakPolarHBondContact O-CG1 3.18Å
167A88Confident85.2Confident54 Ų5449.1 Ų49.145%0.44628%0.281SS..THydrogen-bonded Turntrans-59.9123.1176.900000111.6V190A167-V190 HydrophobicContact CB-CG2 4.47Å
168G87.9Confident86.5Confident37 Ų3746.7 Ų46.738%0.38127%0.266SS..THydrogen-bonded Turntrans103.6-18.6-175.600000114.3C166 R187 V188C166-G168 PolarHBondContact O-N 2.84Å; G168-R187 PolarHBondContact O-NH1 3.09Å; G168-V188 PolarHBondContact N-O 2.88Å
169D90.6Very high87.2Confident38 Ų3857.9 Ų57.920%0.20331%0.308CS..  trans-60.9150.4-179.9-67.4-9.7000111.8C166 Y171 R187 V188C166-D169 WeakPolarHBondContact CA-OD2 3.4Å; C166-D169 WeakPolarHBondContact CB-OD2 3.38Å; C166-D169 PolarHBondContact N-OD2 2.95Å; C166-D169 VanDerWaalsContact O-CB 3.25Å; C166-D169 WeakPolarHBondContact O-CB 3.46Å; C166-D169 PolarHBondContact O-N 2.91Å; C166-D169 VanDerWaalsContact O-N 3.08Å; D169-Y171 HydrophobicContact CB-CE2 3.72Å; D169-Y171 PolarHBondContact OD2-OH 3.04Å; D169-R187 WeakPolarHBondContact O-CA 3.38Å; D169-V188 HydrophobicContact CB-CG2 4.28Å; D169-V188 PolarHBondContact O-N 3.28Å
170Q92.6Very high87.6Confident73 Ų7359.7 Ų59.734%0.34132%0.316SS..EExtended strand (participates in β ladder)trans-131.2137-179.3-76.8158.997.700109.9G186 R187 L218Q170-G186 CarbonylContact C-O 3.57Å; Q170-G186 VanDerWaalsContact CA-O 3.27Å; Q170-G186 WeakPolarHBondContact CA-O 3.47Å; Q170-R187 VanDerWaalsContact CD-CZ 3.46Å; Q170-R187 HydrophobicContact CG-CB 4.34Å; Q170-R187 HydrophobicContact CG-CG 4.36Å; Q170-L218 HydrophobicContact CB-CB 3.99Å; Q170-L218 HydrophobicContact CB-CD1 4.42Å; Q170-L218 PolarHBondContact O-N 3.27Å
171Y92.9Very high88Confident7 Ų766.5 Ų66.53%0.02734%0.336CS..EExtended strand (participates in β ladder)trans-130.6145.8-178.7-59.8-80.3000111L159 R164 L165 D169 R185 G186 V188 V215 T216 E217 V227L159-Y171 HydrophobicContact CD2-CD1 4.19Å; L159-Y171 HydrophobicContact CD2-CD2 3.9Å; L159-Y171 HydrophobicContact CD2-CE2 4.31Å; L159-Y171 HydrophobicContact CD2-CG 3.84Å; R164-Y171 PolarHBondContact O-OH 3.49Å; L165-Y171 HydrophobicContact CD2-CE1 4.34Å; L165-Y171 HydrophobicContact CD2-CE2 3.72Å; L165-Y171 VanDerWaalsContact CD2-OH 3.3Å; L165-Y171 WeakPolarHBondContact CD2-OH 3.45Å; D169-Y171 HydrophobicContact CB-CE2 3.72Å; D169-Y171 PolarHBondContact OD2-OH 3.04Å; Y171-R185 CarbonylContact O-C 3.43Å; Y171-R185 VanDerWaalsContact O-CA 3.28Å; Y171-R185 WeakPolarHBondContact O-CA 3.36Å; Y171-G186 PolarHBondContact N-O 2.93Å; Y171-G186 PolarHBondContact O-N 3.05Å; Y171-V188 HydrophobicContact CD2-CG2 4.45Å; Y171-V188 HydrophobicContact CE2-CG2 3.96Å; Y171-V215 HydrophobicContact CD1-CG1 4.44Å; Y171-T216 CarbonylContact C-O 3.58Å; Y171-T216 VanDerWaalsContact CA-O 3.28Å; Y171-T216 WeakPolarHBondContact CA-O 3.48Å; Y171-E217 HydrophobicContact CD1-CB 4.01Å; Y171-E217 HydrophobicContact CD1-CG 4.27Å; Y171-E217 HydrophobicContact CE1-CB 3.82Å; Y171-E217 HydrophobicContact CE1-CG 3.73Å; Y171-V227 HydrophobicContact CD1-CG2 4.11Å; Y171-V227 HydrophobicContact CE1-CG2 4.02Å
172E94.4Very high88.7Confident29 Ų2966 Ų6614%0.13633%0.329CS..EExtended strand (participates in β ladder)trans-110.6119.7165.5-177162125.400108.4R183 L184 R185 V215 T216 L218E172-R183 HydrophobicContact CG-CG 3.84Å; E172-R183 VanDerWaalsContact OE1-CD 3.3Å; E172-R183 WeakPolarHBondContact OE1-CD 3.36Å; E172-R183 IonicContact OE1-CZ 2.75Å; E172-R183 IonicContact OE1-NE 2.69Å; E172-R183 IonicContact OE1-NH1 3.64Å; E172-R183 PolarHBondContact OE1-NH1 3.34Å; E172-R183 IonicContact OE2-CZ 2.85Å; E172-R183 IonicContact OE2-NE 3.85Å; E172-R183 IonicContact OE2-NH1 2.68Å; E172-R183 PolarHBondContact OE2-NH1 3.11Å; E172-L184 CarbonylContact C-O 3.55Å; E172-L184 WeakPolarHBondContact CA-O 3.35Å; E172-R185 HydrophobicContact CB-CG 4.48Å; E172-R185 HydrophobicContact CG-CG 4.37Å; E172-R185 IonicContact OE2-CZ 2.8Å; E172-R185 IonicContact OE2-NE 2.61Å; E172-R185 PolarHBondContact OE2-NE 3.35Å; E172-R185 IonicContact OE2-NH2 3.2Å; E172-R185 PolarHBondContact OE2-NH2 2.81Å; E172-V215 WeakPolarHBondContact O-CA 3.41Å; E172-T216 PolarHBondContact N-O 2.85Å; E172-T216 PolarHBondContact O-N 2.71Å; E172-L218 HydrophobicContact CB-CD1 4.2Å; E172-L218 HydrophobicContact CB-CD2 4.02Å; E172-L218 HydrophobicContact CB-CG 4.35Å
173V95.3Very high90.3Very high0 Ų063.9 Ų63.90%032%0.316CS..EExtended strand (participates in β ladder)trans-100.5122.1171.1178.90000106.9M175 R183 L184 W196 I213 V215 L257V173-M175 HydrophobicContact CG1-CE 4.07Å; V173-M175 HydrophobicContact CG1-CG 4.31Å; V173-R183 CarbonylContact O-C 3.57Å; V173-R183 WeakPolarHBondContact O-CA 3.42Å; V173-L184 HydrophobicContact CB-CB 4.38Å; V173-L184 HydrophobicContact CB-CD1 4.24Å; V173-L184 HydrophobicContact CG1-CD1 4.23Å; V173-L184 PolarHBondContact N-O 2.88Å; V173-L184 PolarHBondContact O-N 2.8Å; V173-W196 HydrophobicContact CB-CZ3 4.4Å; V173-W196 HydrophobicContact CG2-CH2 3.81Å; V173-W196 HydrophobicContact CG2-CZ3 3.65Å; V173-I213 HydrophobicContact CG1-CG2 4.29Å; V173-V215 HydrophobicContact CG2-CG1 4.3Å; V173-V215 HydrophobicContact CG2-CG2 4.16Å; V173-L257 HydrophobicContact CG1-CD1 4.36Å; V173-L257 HydrophobicContact CG1-CD2 4.06Å; V173-L257 HydrophobicContact CG2-CD1 4.2Å
174L96.8Very high92.1Very high41 Ų4158.5 Ų58.522%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-117.9112.6178.7175.965.2000108.6R176 R181 R183 K214L174-R176 HydrophobicContact CD1-CG 4.48Å; L174-R176 HydrophobicContact CG-CG 4.33Å; L174-R181 HydrophobicContact CD1-CG 3.64Å; L174-R183 HydrophobicContact CD1-CB 4.02Å; L174-R183 HydrophobicContact CD1-CG 4.06Å; L174-K214 PolarHBondContact N-O 2.67Å; L174-K214 PolarHBondContact O-N 2.95Å
175M97.4Very high93.2Very high0 Ų057.2 Ų57.20%027%0.267CS..EExtended strand (participates in β ladder)trans-101.6139.4172.1-53.8-165.6-151.400109.9V173 R181 W182 L184 F203 L211 S212 I213 L257 L259V173-M175 HydrophobicContact CG1-CE 4.07Å; V173-M175 HydrophobicContact CG1-CG 4.31Å; M175-R181 WeakPolarHBondContact O-CA 3.43Å; M175-W182 HydrophobicContact CB-CB 4.4Å; M175-W182 HydrophobicContact CE-CE3 3.52Å; M175-W182 HydrophobicContact CE-CH2 4.38Å; M175-W182 HydrophobicContact CE-CZ3 3.39Å; M175-W182 HydrophobicContact CG-CE3 4.38Å; M175-W182 PolarHBondContact N-O 2.89Å; M175-W182 PolarHBondContact O-N 3.28Å; M175-W182 VanDerWaalsContact O-O 3.1Å; M175-W182 HydrophobicContact SD-CE3 3.66Å; M175-W182 HydrophobicContact SD-CZ3 3.97Å; M175-L184 HydrophobicContact CE-CD1 4.14Å; M175-F203 HydrophobicContact CB-CZ 4.03Å; M175-L211 HydrophobicContact CB-CD1 4.24Å; M175-S212 CarbonylContact C-O 3.48Å; M175-S212 WeakPolarHBondContact CA-O 2.98Å; M175-I213 HydrophobicContact CG-CG1 4.13Å; M175-I213 HydrophobicContact CG-CG2 4.37Å; M175-I213 HydrophobicContact SD-CD1 4.24Å; M175-I213 HydrophobicContact SD-CG1 4.39Å; M175-L257 HydrophobicContact CE-CD2 4Å; M175-L259 HydrophobicContact CE-CD1 3.9Å; M175-L259 HydrophobicContact CE-CD2 3.73Å; M175-L259 HydrophobicContact CE-CG 4.49Å; M175-L259 HydrophobicContact SD-CD1 4.14Å
176R97.5Very high93.6Very high135 Ų13555.9 Ų55.951%0.50926%0.261SS..EExtended strand (participates in β ladder)trans-136.6134.7178.5-68.7-171.262.5-165.3-9.7110.1L174 Q180 R181 S212L174-R176 HydrophobicContact CD1-CG 4.48Å; L174-R176 HydrophobicContact CG-CG 4.33Å; R176-Q180 WeakPolarHBondContact CA-O 3.36Å; R176-R181 HydrophobicContact CG-CG 4.16Å; R176-S212 PolarHBondContact N-O 3.31Å; R176-S212 PolarHBondContact O-N 3.3Å
177Y95.8Very high93.9Very high8 Ų858 Ų583%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-138.996.3176.5-168.1-127.9000108.4R179 Q180 F203 Q204 L206 E209 L211 M234Y177-R179 PolarHBondContact O-N 2.93Å; Y177-Q180 PolarHBondContact N-O 3.19Å; Y177-Q180 WeakPolarHBondContact O-CB 3.16Å; Y177-Q180 PolarHBondContact O-N 2.89Å; Y177-F203 HydrophobicContact CD1-CB 4.44Å; Y177-F203 HydrophobicContact CD1-CD1 4.34Å; Y177-F203 HydrophobicContact CG-CD1 4.49Å; Y177-Q204 VanDerWaalsContact CE1-O 3.3Å; Y177-Q204 WeakPolarHBondContact CE1-O 3.26Å; Y177-L206 HydrophobicContact CD1-CD1 3.86Å; Y177-L206 HydrophobicContact CD1-CG 4.1Å; Y177-L206 HydrophobicContact CE1-CB 3.74Å; Y177-L206 HydrophobicContact CE1-CD1 3.9Å; Y177-L206 HydrophobicContact CE1-CG 3.68Å; Y177-L206 HydrophobicContact CG-CD1 4.31Å; Y177-L206 PolarHBondContact OH-N 3.29Å; Y177-L206 PolarHBondContact OH-O 3.31Å; Y177-E209 HydrophobicContact CD2-CB 4.23Å; Y177-E209 HydrophobicContact CE2-CB 4.06Å; Y177-E209 VanDerWaalsContact CE2-O 3.27Å; Y177-E209 WeakPolarHBondContact CE2-O 3.42Å; Y177-L211 HydrophobicContact CD2-CB 4.22Å; Y177-M234 HydrophobicContact CD1-CE 3.74Å; Y177-M234 HydrophobicContact CD2-CE 3.86Å; Y177-M234 HydrophobicContact CE1-CE 3.39Å; Y177-M234 HydrophobicContact CE2-CE 3.52Å; Y177-M234 HydrophobicContact CG-CE 3.96Å
178G93.8Very high94Very high12 Ų1255.7 Ų55.712%0.12424%0.239CC..THydrogen-bonded Turntrans49.3-107.4-161.100000113.2E209G178-E209 WeakPolarHBondContact CA-OE1 2.96Å; G178-E209 VanDerWaalsContact CA-OE2 3.31Å; G178-E209 WeakPolarHBondContact CA-OE2 3.29Å; G178-E209 PolarHBondContact N-OE2 3.38Å
179R94.4Very high94.1Very high236 Ų23657.4 Ų57.489%0.89124%0.237SC*.THydrogen-bonded Turntrans-86.2-21.9179.6-58.1-175.2-175.2-153.61.9113.5Y177Y177-R179 PolarHBondContact O-N 2.93Å
180Q96.7Very high94Very high38 Ų3861.9 Ų61.918%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-75.5142.5-178.8-57.5174.177.400109.9R176 Y177 F203 Q204R176-Q180 WeakPolarHBondContact CA-O 3.36Å; Y177-Q180 PolarHBondContact N-O 3.19Å; Y177-Q180 WeakPolarHBondContact O-CB 3.16Å; Y177-Q180 PolarHBondContact O-N 2.89Å; Q180-F203 HydrophobicContact CB-CD1 3.82Å; Q180-F203 HydrophobicContact CB-CE1 4.06Å; Q180-F203 VanDerWaalsContact OE1-CA 3.28Å; Q180-Q204 PolarHBondContact NE2-O 2.9Å
181R96.3Very high93.6Very high173 Ų17362 Ų6265%0.65327%0.274SS*.EExtended strand (participates in β ladder)trans-151.9109.7-172.3-175.1-177.571.8168.90.3112.2L174 M175 R176L174-R181 HydrophobicContact CD1-CG 3.64Å; M175-R181 WeakPolarHBondContact O-CA 3.43Å; R176-R181 HydrophobicContact CG-CG 4.16Å
182W97.1Very high93.1Very high6 Ų667.1 Ų67.12%0.02330%0.303CS..EExtended strand (participates in β ladder)trans-100.3139.3170-174.332.9000109.8V151 M175 L184 S198 F201 F203V151-W182 HydrophobicContact CB-CZ3 4.32Å; V151-W182 HydrophobicContact CG1-CZ3 3.82Å; M175-W182 HydrophobicContact CB-CB 4.4Å; M175-W182 HydrophobicContact CE-CE3 3.52Å; M175-W182 HydrophobicContact CE-CH2 4.38Å; M175-W182 HydrophobicContact CE-CZ3 3.39Å; M175-W182 HydrophobicContact CG-CE3 4.38Å; M175-W182 PolarHBondContact N-O 2.89Å; M175-W182 PolarHBondContact O-N 3.28Å; M175-W182 VanDerWaalsContact O-O 3.1Å; M175-W182 HydrophobicContact SD-CE3 3.66Å; M175-W182 HydrophobicContact SD-CZ3 3.97Å; W182-L184 HydrophobicContact CD2-CD1 3.41Å; W182-L184 VanDerWaalsContact CD2-CD1 3.41Å; W182-L184 HydrophobicContact CD2-CG 4.07Å; W182-L184 VanDerWaalsContact CE2-CD1 3.49Å; W182-L184 HydrophobicContact CE3-CD1 3.8Å; W182-L184 HydrophobicContact CG-CD1 3.81Å; W182-L184 HydrophobicContact CH2-CD1 4.31Å; W182-L184 HydrophobicContact CH2-CD2 3.79Å; W182-L184 HydrophobicContact CH2-CG 4.33Å; W182-L184 HydrophobicContact CZ2-CD1 3.97Å; W182-L184 HydrophobicContact CZ2-CD2 3.56Å; W182-L184 HydrophobicContact CZ2-CG 3.74Å; W182-L184 HydrophobicContact CZ3-CD1 4.22Å; W182-L184 HydrophobicContact CZ3-CD2 4.35Å; W182-S198 PolarHBondContact NE1-OG 2.94Å; W182-F201 HydrophobicContact CB-CB 4.04Å; W182-F201 HydrophobicContact CB-CD1 3.89Å; W182-F201 HydrophobicContact CB-CD2 3.82Å; W182-F201 HydrophobicContact CB-CE1 4.29Å; W182-F201 HydrophobicContact CB-CE2 4.22Å; W182-F201 HydrophobicContact CB-CG 3.64Å; W182-F201 HydrophobicContact CB-CZ 4.45Å; W182-F201 AromaticContact CD1-CD2 3.59Å; W182-F201 AromaticContact CD1-CG 3.83Å; W182-F201 HydrophobicContact CD2-CB 3.33Å; W182-F201 AromaticContact CD2-CG 3.99Å; W182-F201 HydrophobicContact CD2-CG 3.99Å; W182-F201 HydrophobicContact CE3-CB 3.77Å; W182-F201 HydrophobicContact CG-CB 3.46Å; W182-F201 VanDerWaalsContact CG-CB 3.46Å; W182-F201 HydrophobicContact CG-CD1 4.27Å; W182-F201 AromaticContact CG-CD2 3.74Å; W182-F201 HydrophobicContact CG-CD2 3.74Å; W182-F201 AromaticContact CG-CG 3.57Å; W182-F201 HydrophobicContact CG-CG 3.57Å; W182-F201 HydrophobicContact CH2-CB 4.48Å; W182-F201 HydrophobicContact CZ2-CB 4.12Å; W182-F201 HydrophobicContact CZ3-CB 4.33Å; W182-F203 HydrophobicContact CB-CE2 4.48Å; W182-F203 HydrophobicContact CB-CZ 3.87Å; W182-F203 HydrophobicContact CE3-CE2 4.24Å
183R95.5Very high92.7Very high109 Ų10970.3 Ų70.341%0.41132%0.316SS..EExtended strand (participates in β ladder)trans-139.5118.8178.7-167-173.387.1150.7-9.1110E172 V173 L174E172-R183 HydrophobicContact CG-CG 3.84Å; E172-R183 VanDerWaalsContact OE1-CD 3.3Å; E172-R183 WeakPolarHBondContact OE1-CD 3.36Å; E172-R183 IonicContact OE1-CZ 2.75Å; E172-R183 IonicContact OE1-NE 2.69Å; E172-R183 IonicContact OE1-NH1 3.64Å; E172-R183 PolarHBondContact OE1-NH1 3.34Å; E172-R183 IonicContact OE2-CZ 2.85Å; E172-R183 IonicContact OE2-NE 3.85Å; E172-R183 IonicContact OE2-NH1 2.68Å; E172-R183 PolarHBondContact OE2-NH1 3.11Å; V173-R183 CarbonylContact O-C 3.57Å; V173-R183 WeakPolarHBondContact O-CA 3.42Å; L174-R183 HydrophobicContact CD1-CB 4.02Å; L174-R183 HydrophobicContact CD1-CG 4.06Å
184L93.8Very high92.4Very high0 Ų071 Ų710%032%0.319CS..EExtended strand (participates in β ladder)trans-111.1147-178.9-46.269.4000108.9M153 E172 V173 M175 W182 W196 D197 S198M153-L184 HydrophobicContact CB-CD2 4.11Å; M153-L184 HydrophobicContact CG-CD2 4.41Å; M153-L184 HydrophobicContact SD-CD2 3.4Å; M153-L184 WeakPolarHBondContact SD-CD2 3.41Å; E172-L184 CarbonylContact C-O 3.55Å; E172-L184 WeakPolarHBondContact CA-O 3.35Å; V173-L184 HydrophobicContact CB-CB 4.38Å; V173-L184 HydrophobicContact CB-CD1 4.24Å; V173-L184 HydrophobicContact CG1-CD1 4.23Å; V173-L184 PolarHBondContact N-O 2.88Å; V173-L184 PolarHBondContact O-N 2.8Å; M175-L184 HydrophobicContact CE-CD1 4.14Å; W182-L184 HydrophobicContact CD2-CD1 3.41Å; W182-L184 VanDerWaalsContact CD2-CD1 3.41Å; W182-L184 HydrophobicContact CD2-CG 4.07Å; W182-L184 VanDerWaalsContact CE2-CD1 3.49Å; W182-L184 HydrophobicContact CE3-CD1 3.8Å; W182-L184 HydrophobicContact CG-CD1 3.81Å; W182-L184 HydrophobicContact CH2-CD1 4.31Å; W182-L184 HydrophobicContact CH2-CD2 3.79Å; W182-L184 HydrophobicContact CH2-CG 4.33Å; W182-L184 HydrophobicContact CZ2-CD1 3.97Å; W182-L184 HydrophobicContact CZ2-CD2 3.56Å; W182-L184 HydrophobicContact CZ2-CG 3.74Å; W182-L184 HydrophobicContact CZ3-CD1 4.22Å; W182-L184 HydrophobicContact CZ3-CD2 4.35Å; L184-W196 HydrophobicContact CB-CE3 3.81Å; L184-W196 HydrophobicContact CB-CZ3 4.31Å; L184-W196 HydrophobicContact CD2-CE3 4.42Å; L184-D197 WeakPolarHBondContact CA-OD1 3.46Å; L184-S198 WeakPolarHBondContact CD2-O 3.22Å
185R92.4Very high92Very high100 Ų10073 Ų7338%0.37733%0.329SS..EExtended strand (participates in β ladder)trans-123.7121170.1-64.9178.5157.1-159.2-13.4110Y171 E172 W196 D197Y171-R185 CarbonylContact O-C 3.43Å; Y171-R185 VanDerWaalsContact O-CA 3.28Å; Y171-R185 WeakPolarHBondContact O-CA 3.36Å; E172-R185 HydrophobicContact CB-CG 4.48Å; E172-R185 HydrophobicContact CG-CG 4.37Å; E172-R185 IonicContact OE2-CZ 2.8Å; E172-R185 IonicContact OE2-NE 2.61Å; E172-R185 PolarHBondContact OE2-NE 3.35Å; E172-R185 IonicContact OE2-NH2 3.2Å; E172-R185 PolarHBondContact OE2-NH2 2.81Å; R185-W196 WeakPolarHBondContact O-CA 3.38Å; R185-D197 WeakPolarHBondContact CB-OD2 3.3Å; R185-D197 PolarHBondContact N-OD1 3.17Å; R185-D197 PolarHBondContact O-N 3.17Å
186G91.1Very high91.7Very high5 Ų574.4 Ų74.45%0.05234%0.335CS..EExtended strand (participates in β ladder)trans-107.7147.1-178.300000112.1Q170 Y171 I195 W196Q170-G186 CarbonylContact C-O 3.57Å; Q170-G186 VanDerWaalsContact CA-O 3.27Å; Q170-G186 WeakPolarHBondContact CA-O 3.47Å; Y171-G186 PolarHBondContact N-O 2.93Å; Y171-G186 PolarHBondContact O-N 3.05Å; G186-I195 CarbonylContact C-O 3.6Å; G186-I195 VanDerWaalsContact CA-O 3.26Å; G186-I195 WeakPolarHBondContact CA-O 3.26Å; G186-W196 VanDerWaalsContact CA-CZ3 3.4Å
187R91.1Very high91.4Very high117 Ų11772.8 Ų72.844%0.44234%0.336SS..EExtended strand (participates in β ladder)trans-119.9137.3162.7180-177.1-61.6-71.4-4.3109.5G168 D169 Q170 Q194 I195G168-R187 PolarHBondContact O-NH1 3.09Å; D169-R187 WeakPolarHBondContact O-CA 3.38Å; Q170-R187 VanDerWaalsContact CD-CZ 3.46Å; Q170-R187 HydrophobicContact CG-CB 4.34Å; Q170-R187 HydrophobicContact CG-CG 4.36Å; R187-Q194 WeakPolarHBondContact O-CA 3.09Å; R187-I195 PolarHBondContact N-O 2.85Å; R187-I195 PolarHBondContact O-N 3.04Å
188V91.1Very high91Very high5 Ų574.1 Ų74.13%0.0335%0.347CS..EExtended strand (participates in β ladder)trans-85.6120.2165.2-173.40000108.5L165 C166 G168 D169 Y171 Q194L165-V188 HydrophobicContact CB-CG2 4.34Å; C166-V188 WeakPolarHBondContact O-CB 3.15Å; C166-V188 WeakPolarHBondContact O-CG1 3.18Å; G168-V188 PolarHBondContact N-O 2.88Å; D169-V188 HydrophobicContact CB-CG2 4.28Å; D169-V188 PolarHBondContact O-N 3.28Å; Y171-V188 HydrophobicContact CD2-CG2 4.45Å; Y171-V188 HydrophobicContact CE2-CG2 3.96Å; V188-Q194 HydrophobicContact CG2-CG 4.36Å
189E90.1Very high90.5Very high73 Ų7379.7 Ų79.734%0.34137%0.369SS..  trans-77167.2175.7-70.5-160.1133.800112.9S191 N192 K193 I195E189-S191 WeakPolarHBondContact CB-OG 3.22Å; E189-S191 PolarHBondContact O-N 3.03Å; E189-S191 PolarHBondContact OE2-OG 3.07Å; E189-N192 WeakPolarHBondContact O-CA 3.28Å; E189-N192 PolarHBondContact O-N 2.76Å; E189-K193 WeakPolarHBondContact CB-O 3.49Å; E189-K193 PolarHBondContact N-O 3.15Å; E189-I195 HydrophobicContact CG-CD1 4.03Å; E189-I195 HydrophobicContact CG-CG1 4.35Å; E189-I195 WeakPolarHBondContact OE1-CD1 3.46Å
190V87.9Confident90.4Very high133 Ų13372.6 Ų72.681%0.80635%0.346SS*.THydrogen-bonded Turntrans-63.6-19.8167.8-170.80000112.3A167 N192A167-V190 HydrophobicContact CB-CG2 4.47Å; V190-N192 PolarHBondContact O-N 3.11Å
191S85.3Confident90.4Very high74 Ų7473.8 Ų73.852%0.51735%0.351SS..THydrogen-bonded Turntrans-74.7-6.2170.665.30000113.6E189 K193E189-S191 WeakPolarHBondContact CB-OG 3.22Å; E189-S191 PolarHBondContact O-N 3.03Å; E189-S191 PolarHBondContact OE2-OG 3.07Å; S191-K193 PolarHBondContact O-N 2.68Å; S191-K193 WeakPolarHBondContact OG-CB 3.26Å; S191-K193 PolarHBondContact OG-N 3.49Å; S191-K193 VanDerWaalsContact OG-N 3.07Å
192N81.9Confident90.3Very high116 Ų11667.3 Ų67.362%0.6233%0.331SS*.SBendtrans60.52.2-161.8-55-54.2000115.3E189 V190E189-N192 WeakPolarHBondContact O-CA 3.28Å; E189-N192 PolarHBondContact O-N 2.76Å; V190-N192 PolarHBondContact O-N 3.11Å
193K86.1Confident90.3Very high95 Ų9567 Ų6741%0.41333%0.329SS..  trans-65.3146.6167.3-164.8-163.9169-175.40109.1E189 S191E189-K193 WeakPolarHBondContact CB-O 3.49Å; E189-K193 PolarHBondContact N-O 3.15Å; S191-K193 PolarHBondContact O-N 2.68Å; S191-K193 WeakPolarHBondContact OG-CB 3.26Å; S191-K193 PolarHBondContact OG-N 3.49Å; S191-K193 VanDerWaalsContact OG-N 3.07Å
194Q88.5Confident90.3Very high15 Ų1566.4 Ų66.47%0.0733%0.331CS..EExtended strand (participates in β ladder)trans-98.9145.4168-6616819.500111.1V156 L159 R187 V188V156-Q194 PolarHBondContact O-N 3.32Å; L159-Q194 PolarHBondContact O-NE2 3.45Å; L159-Q194 PolarHBondContact O-OE1 2.86Å; R187-Q194 WeakPolarHBondContact O-CA 3.09Å; V188-Q194 HydrophobicContact CG2-CG 4.36Å
195I88.8Confident90.4Very high82 Ų8266.5 Ų66.542%0.42133%0.332SS..EExtended strand (participates in β ladder)trans-126.4130.5171.1-61.8178.1000107.3G186 R187 E189G186-I195 CarbonylContact C-O 3.6Å; G186-I195 VanDerWaalsContact CA-O 3.26Å; G186-I195 WeakPolarHBondContact CA-O 3.26Å; R187-I195 PolarHBondContact N-O 2.85Å; R187-I195 PolarHBondContact O-N 3.04Å; E189-I195 HydrophobicContact CG-CD1 4.03Å; E189-I195 HydrophobicContact CG-CG1 4.35Å; E189-I195 WeakPolarHBondContact OE1-CD1 3.46Å
196W90.7Very high90.5Very high31 Ų3163.3 Ų63.312%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-117.3152.4-178.9-62.690.1000110.4M153 L159 V173 L184 R185 G186M153-W196 HydrophobicContact CE-CD2 3.86Å; M153-W196 HydrophobicContact CE-CE3 4.2Å; M153-W196 HydrophobicContact CE-CH2 3.67Å; M153-W196 HydrophobicContact CE-CZ2 3.24Å; M153-W196 HydrophobicContact CE-CZ3 4.11Å; M153-W196 HydrophobicContact SD-CD2 3.43Å; M153-W196 VanDerWaalsContact SD-CE2 3.52Å; M153-W196 HydrophobicContact SD-CE3 3.78Å; M153-W196 HydrophobicContact SD-CG 3.8Å; M153-W196 HydrophobicContact SD-CH2 4.34Å; M153-W196 HydrophobicContact SD-CZ2 4.02Å; M153-W196 HydrophobicContact SD-CZ3 4.22Å; L159-W196 HydrophobicContact CB-CH2 4.24Å; L159-W196 HydrophobicContact CB-CZ2 3.88Å; L159-W196 HydrophobicContact CD2-CH2 4.48Å; V173-W196 HydrophobicContact CB-CZ3 4.4Å; V173-W196 HydrophobicContact CG2-CH2 3.81Å; V173-W196 HydrophobicContact CG2-CZ3 3.65Å; L184-W196 HydrophobicContact CB-CE3 3.81Å; L184-W196 HydrophobicContact CB-CZ3 4.31Å; L184-W196 HydrophobicContact CD2-CE3 4.42Å; R185-W196 WeakPolarHBondContact O-CA 3.38Å; G186-W196 VanDerWaalsContact CA-CZ3 3.4Å
197D91Very high90.6Very high100 Ų10063 Ų6354%0.53532%0.32SS..SBendtrans-84.8-8.3178.467.4-7.8000114.1L184 R185L184-D197 WeakPolarHBondContact CA-OD1 3.46Å; R185-D197 WeakPolarHBondContact CB-OD2 3.3Å; R185-D197 PolarHBondContact N-OD1 3.17Å; R185-D197 PolarHBondContact O-N 3.17Å
198S87.4Confident90.5Very high37 Ų3759.3 Ų59.326%0.25931%0.31SS..  trans-154.7131.2177.4-176.20000109.4W182 L184W182-S198 PolarHBondContact NE1-OG 2.94Å; L184-S198 WeakPolarHBondContact CD2-O 3.22Å
199E84.4Confident90.6Very high129 Ų12963.1 Ų63.160%0.60333%0.327SS*.  trans-111-26.8-170.3-66.5170.2173.200113.4K152 M153K152-E199 CarbonylContact C-O 3.53Å; K152-E199 VanDerWaalsContact CA-O 3.26Å; K152-E199 WeakPolarHBondContact CA-O 3.29Å; M153-E199 PolarHBondContact N-O 3.33Å
200E91.9Very high90.8Very high87 Ų8763.5 Ų63.541%0.40733%0.331SS..EExtended strand (participates in β ladder)trans-137.2145.3-177.9-175.1166-158.400111.5H150 V151 K152H150-E200 IonicContact CD2-OE1 2.63Å; V151-E200 CarbonylContact O-C 3.52Å; V151-E200 WeakPolarHBondContact O-CA 3.47Å; K152-E200 WeakPolarHBondContact CE-OE1 3.33Å; K152-E200 VanDerWaalsContact CE-OE2 3.29Å; K152-E200 WeakPolarHBondContact CE-OE2 3.33Å; K152-E200 HydrophobicContact CG-CB 3.93Å; K152-E200 HydrophobicContact CG-CG 3.76Å; K152-E200 IonicContact NZ-OE1 3.75Å
201F95.4Very high91.2Very high63 Ų6357.5 Ų57.528%0.27629%0.294SS..EExtended strand (participates in β ladder)trans-149.6145.9171.1-171.4-88.8000110.5V151 W182 F203V151-F201 PolarHBondContact N-O 2.69Å; V151-F201 PolarHBondContact O-N 3.07Å; W182-F201 HydrophobicContact CB-CB 4.04Å; W182-F201 HydrophobicContact CB-CD1 3.89Å; W182-F201 HydrophobicContact CB-CD2 3.82Å; W182-F201 HydrophobicContact CB-CE1 4.29Å; W182-F201 HydrophobicContact CB-CE2 4.22Å; W182-F201 HydrophobicContact CB-CG 3.64Å; W182-F201 HydrophobicContact CB-CZ 4.45Å; W182-F201 AromaticContact CD1-CD2 3.59Å; W182-F201 AromaticContact CD1-CG 3.83Å; W182-F201 HydrophobicContact CD2-CB 3.33Å; W182-F201 AromaticContact CD2-CG 3.99Å; W182-F201 HydrophobicContact CD2-CG 3.99Å; W182-F201 HydrophobicContact CE3-CB 3.77Å; W182-F201 HydrophobicContact CG-CB 3.46Å; W182-F201 VanDerWaalsContact CG-CB 3.46Å; W182-F201 HydrophobicContact CG-CD1 4.27Å; W182-F201 AromaticContact CG-CD2 3.74Å; W182-F201 HydrophobicContact CG-CD2 3.74Å; W182-F201 AromaticContact CG-CG 3.57Å; W182-F201 HydrophobicContact CG-CG 3.57Å; W182-F201 HydrophobicContact CH2-CB 4.48Å; W182-F201 HydrophobicContact CZ2-CB 4.12Å; W182-F201 HydrophobicContact CZ3-CB 4.33Å; F201-F203 HydrophobicContact CD1-CD1 4.1Å; F201-F203 AromaticContact CD1-CD2 3.77Å; F201-F203 HydrophobicContact CD1-CD2 3.77Å; F201-F203 AromaticContact CD1-CE1 3.92Å; F201-F203 HydrophobicContact CD1-CE1 3.92Å; F201-F203 AromaticContact CD1-CE2 3.59Å; F201-F203 HydrophobicContact CD1-CE2 3.59Å; F201-F203 HydrophobicContact CD1-CG 4.03Å; F201-F203 AromaticContact CD1-CZ 3.66Å; F201-F203 HydrophobicContact CD1-CZ 3.66Å; F201-F203 AromaticContact CE1-CD1 3.8Å; F201-F203 HydrophobicContact CE1-CD1 3.8Å; F201-F203 HydrophobicContact CE1-CD2 4.31Å; F201-F203 AromaticContact CE1-CE1 3.68Å; F201-F203 HydrophobicContact CE1-CE1 3.68Å; F201-F203 HydrophobicContact CE1-CE2 4.22Å; F201-F203 HydrophobicContact CE1-CG 4.12Å; F201-F203 AromaticContact CE1-CZ 3.9Å; F201-F203 HydrophobicContact CE1-CZ 3.9Å; F201-F203 HydrophobicContact CG-CE2 4.49Å
202T95.6Very high91.8Very high36 Ų3655.9 Ų55.922%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-104.9126.8177.9-49.10000110.8E148 F149E148-T202 HydrophobicContact CB-CG2 3.65Å; E148-T202 VanDerWaalsContact CD-CG2 3.41Å; E148-T202 HydrophobicContact CG-CG2 3.83Å; E148-T202 WeakPolarHBondContact OE1-CG2 3.5Å; F149-T202 WeakPolarHBondContact O-CA 3.43Å
203F96.3Very high92.5Very high0 Ų050.3 Ų50.30%025%0.254CS..EExtended strand (participates in β ladder)trans-107.2126.8172.9-68.7-84.2000110.2F149 V151 M175 Y177 Q180 W182 F201 L211F149-F203 PolarHBondContact N-O 2.78Å; F149-F203 PolarHBondContact O-N 3.45Å; V151-F203 HydrophobicContact CB-CD2 4.27Å; V151-F203 HydrophobicContact CB-CE2 4.36Å; V151-F203 HydrophobicContact CG2-CD2 3.72Å; V151-F203 HydrophobicContact CG2-CE2 4.18Å; M175-F203 HydrophobicContact CB-CZ 4.03Å; Y177-F203 HydrophobicContact CD1-CB 4.44Å; Y177-F203 HydrophobicContact CD1-CD1 4.34Å; Y177-F203 HydrophobicContact CG-CD1 4.49Å; Q180-F203 HydrophobicContact CB-CD1 3.82Å; Q180-F203 HydrophobicContact CB-CE1 4.06Å; Q180-F203 VanDerWaalsContact OE1-CA 3.28Å; W182-F203 HydrophobicContact CB-CE2 4.48Å; W182-F203 HydrophobicContact CB-CZ 3.87Å; W182-F203 HydrophobicContact CE3-CE2 4.24Å; F201-F203 HydrophobicContact CD1-CD1 4.1Å; F201-F203 AromaticContact CD1-CD2 3.77Å; F201-F203 HydrophobicContact CD1-CD2 3.77Å; F201-F203 AromaticContact CD1-CE1 3.92Å; F201-F203 HydrophobicContact CD1-CE1 3.92Å; F201-F203 AromaticContact CD1-CE2 3.59Å; F201-F203 HydrophobicContact CD1-CE2 3.59Å; F201-F203 HydrophobicContact CD1-CG 4.03Å; F201-F203 AromaticContact CD1-CZ 3.66Å; F201-F203 HydrophobicContact CD1-CZ 3.66Å; F201-F203 AromaticContact CE1-CD1 3.8Å; F201-F203 HydrophobicContact CE1-CD1 3.8Å; F201-F203 HydrophobicContact CE1-CD2 4.31Å; F201-F203 AromaticContact CE1-CE1 3.68Å; F201-F203 HydrophobicContact CE1-CE1 3.68Å; F201-F203 HydrophobicContact CE1-CE2 4.22Å; F201-F203 HydrophobicContact CE1-CG 4.12Å; F201-F203 AromaticContact CE1-CZ 3.9Å; F201-F203 HydrophobicContact CE1-CZ 3.9Å; F201-F203 HydrophobicContact CG-CE2 4.49Å; F203-L211 HydrophobicContact CE1-CD1 4.4Å; F203-L211 HydrophobicContact CE2-CD1 4.48Å; F203-L211 HydrophobicContact CZ-CD1 4.18Å
204Q95.3Very high93Very high97 Ų9749.6 Ų49.645%0.45325%0.251SS..  trans-69.2130.6161.6-73173.1-33.800108.3Y177 Q180 D267Y177-Q204 VanDerWaalsContact CE1-O 3.3Å; Y177-Q204 WeakPolarHBondContact CE1-O 3.26Å; Q180-Q204 PolarHBondContact NE2-O 2.9Å; Q204-D267 PolarHBondContact NE2-OD2 3.32Å
205P95.4Very high93.3Very high1 Ų148.9 Ų48.91%0.00625%0.247CC..  trans-61.9158.2175.5-21.934.8000112.2M146 G147 F149 F238M146-P205 HydrophobicContact CB-CB 3.55Å; M146-P205 HydrophobicContact CB-CG 3.74Å; M146-P205 HydrophobicContact CE-CB 3.62Å; M146-P205 HydrophobicContact CG-CB 4.33Å; M146-P205 HydrophobicContact SD-CB 4.17Å; G147-P205 WeakPolarHBondContact O-CD 3.44Å; F149-P205 HydrophobicContact CD2-CB 4.27Å; F149-P205 HydrophobicContact CD2-CG 3.77Å; F149-P205 HydrophobicContact CE2-CB 3.87Å; F149-P205 HydrophobicContact CE2-CG 3.66Å; F149-P205 HydrophobicContact CG-CG 4.39Å; F149-P205 HydrophobicContact CZ-CG 4.19Å; P205-F238 HydrophobicContact CB-CE1 4.43Å; P205-F238 HydrophobicContact CB-CZ 3.99Å; P205-F238 HydrophobicContact CG-CE1 4.2Å; P205-F238 HydrophobicContact CG-CZ 4.26Å
206L94.7Very high93.6Very high33 Ų3345.9 Ų45.917%0.17323%0.232CC..  trans-141.1143.1-179.9-63.5172.1000109.1Y177 E209Y177-L206 HydrophobicContact CD1-CD1 3.86Å; Y177-L206 HydrophobicContact CD1-CG 4.1Å; Y177-L206 HydrophobicContact CE1-CB 3.74Å; Y177-L206 HydrophobicContact CE1-CD1 3.9Å; Y177-L206 HydrophobicContact CE1-CG 3.68Å; Y177-L206 HydrophobicContact CG-CD1 4.31Å; Y177-L206 PolarHBondContact OH-N 3.29Å; Y177-L206 PolarHBondContact OH-O 3.31Å; L206-E209 HydrophobicContact CB-CB 4.1Å; L206-E209 HydrophobicContact CD1-CB 3.96Å; L206-E209 HydrophobicContact CD1-CG 3.98Å
207V93.4Very high93.7Very high0 Ų046.3 Ų46.30%024%0.236CC..SBendtrans-68.8-48.5-179.1170.20000110.3R18 L19 V22 E143 M146R18-V207 HydrophobicContact CG-CG1 4.01Å; R18-V207 WeakPolarHBondContact CG-O 3.37Å; R18-V207 PolarHBondContact NE-O 2.82Å; L19-V207 HydrophobicContact CB-CG1 4.42Å; L19-V207 HydrophobicContact CD1-CB 4.29Å; L19-V207 HydrophobicContact CD1-CG1 3.76Å; L19-V207 HydrophobicContact CD1-CG2 3.48Å; L19-V207 VanDerWaalsContact CD1-CG2 3.48Å; V22-V207 HydrophobicContact CG1-CG2 4.04Å; V22-V207 HydrophobicContact CG2-CB 4.44Å; V22-V207 HydrophobicContact CG2-CG1 4.22Å; E143-V207 HydrophobicContact CG-CB 4.14Å; E143-V207 HydrophobicContact CG-CG2 3.61Å; E143-V207 PolarHBondContact OE1-N 3.36Å; M146-V207 HydrophobicContact SD-CG2 4.11Å
208T90.1Very high93.7Very high39 Ų3942.9 Ų42.924%0.23922%0.217CC..SBendtrans-101.70.4-160.555.50000115.3Q15Q15-T208 HydrophobicContact CB-CG2 4.06Å; Q15-T208 HydrophobicContact CG-CG2 3.98Å
209E92.6Very high93.6Very high84 Ų8446.9 Ų46.939%0.39323%0.23SC..  trans-115.8154.5-172.4-69.9-86-174.600111.4Y177 G178 L206Y177-E209 HydrophobicContact CD2-CB 4.23Å; Y177-E209 HydrophobicContact CE2-CB 4.06Å; Y177-E209 VanDerWaalsContact CE2-O 3.27Å; Y177-E209 WeakPolarHBondContact CE2-O 3.42Å; G178-E209 WeakPolarHBondContact CA-OE1 2.96Å; G178-E209 VanDerWaalsContact CA-OE2 3.31Å; G178-E209 WeakPolarHBondContact CA-OE2 3.29Å; G178-E209 PolarHBondContact N-OE2 3.38Å; L206-E209 HydrophobicContact CB-CB 4.1Å; L206-E209 HydrophobicContact CD1-CB 3.96Å; L206-E209 HydrophobicContact CD1-CG 3.98Å
210L94.7Very high93.1Very high81 Ų8143.3 Ų43.342%0.42422%0.219SC..  trans-114.9148.8174.5-66177000110.4S212L210-S212 PolarHBondContact O-N 2.97Å; L210-S212 VanDerWaalsContact O-N 3.11Å
211L95.9Very high92.1Very high7 Ų747.7 Ų47.74%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-75.2104177.6179.966.6000109.1M175 Y177 F203 I213 S231 C232 M234M175-L211 HydrophobicContact CB-CD1 4.24Å; Y177-L211 HydrophobicContact CD2-CB 4.22Å; F203-L211 HydrophobicContact CE1-CD1 4.4Å; F203-L211 HydrophobicContact CE2-CD1 4.48Å; F203-L211 HydrophobicContact CZ-CD1 4.18Å; L211-I213 HydrophobicContact CD2-CD1 4.04Å; L211-I213 HydrophobicContact CD2-CG1 4.33Å; L211-I213 HydrophobicContact CG-CD1 4.3Å; L211-I213 HydrophobicContact CG-CG1 4.05Å; L211-S231 CarbonylContact O-C 3.56Å; L211-S231 WeakPolarHBondContact O-CA 3.49Å; L211-C232 PolarHBondContact N-O 3.33Å; L211-C232 PolarHBondContact O-N 3.18Å; L211-C232 PolarHBondContact O-SG 2.96Å; L211-M234 HydrophobicContact CB-CE 4.36Å; L211-M234 HydrophobicContact CB-CG 4.11Å; L211-M234 HydrophobicContact CB-SD 4.03Å; L211-M234 HydrophobicContact CD2-CG 4.47Å; L211-M234 HydrophobicContact CD2-SD 3.82Å; L211-M234 HydrophobicContact CG-SD 4.4Å
212S97.4Very high91.2Very high40 Ų4048.8 Ų48.828%0.2827%0.265SS..EExtended strand (participates in β ladder)trans-91.5120.9177.8-164.80000110.7M175 R176 L210 V230 S231M175-S212 CarbonylContact C-O 3.48Å; M175-S212 WeakPolarHBondContact CA-O 2.98Å; R176-S212 PolarHBondContact N-O 3.31Å; R176-S212 PolarHBondContact O-N 3.3Å; L210-S212 PolarHBondContact O-N 2.97Å; L210-S212 VanDerWaalsContact O-N 3.11Å; S212-V230 CarbonylContact C-O 3.49Å; S212-V230 WeakPolarHBondContact CA-O 3.47Å; S212-S231 WeakPolarHBondContact CB-OG 3.49Å; S212-S231 PolarHBondContact OG-OG 3.36Å
213I96.9Very high90.5Very high0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-116.9123.4-177-54.7-175.8000108.9V173 M175 L211 S229 V230 V247 I249 L257 L259V173-I213 HydrophobicContact CG1-CG2 4.29Å; M175-I213 HydrophobicContact CG-CG1 4.13Å; M175-I213 HydrophobicContact CG-CG2 4.37Å; M175-I213 HydrophobicContact SD-CD1 4.24Å; M175-I213 HydrophobicContact SD-CG1 4.39Å; L211-I213 HydrophobicContact CD2-CD1 4.04Å; L211-I213 HydrophobicContact CD2-CG1 4.33Å; L211-I213 HydrophobicContact CG-CD1 4.3Å; L211-I213 HydrophobicContact CG-CG1 4.05Å; I213-S229 CarbonylContact O-C 3.52Å; I213-S229 WeakPolarHBondContact O-CA 3.45Å; I213-S229 PolarHBondContact O-OG 2.98Å; I213-V230 HydrophobicContact CB-CG1 3.97Å; I213-V230 PolarHBondContact N-O 2.79Å; I213-V230 PolarHBondContact O-N 2.63Å; I213-V247 HydrophobicContact CD1-CG1 4.42Å; I213-I249 HydrophobicContact CG2-CD1 3.95Å; I213-L257 HydrophobicContact CD1-CD2 4.17Å; I213-L257 HydrophobicContact CG2-CD2 3.68Å; I213-L259 HydrophobicContact CD1-CD1 4.24Å
214K96.4Very high90.2Very high80 Ų8056.6 Ų56.635%0.34830%0.302SS..EExtended strand (participates in β ladder)trans-122.2131.2176.6-178.6178.8176.3178.80110.7L174 V226L174-K214 PolarHBondContact N-O 2.67Å; L174-K214 PolarHBondContact O-N 2.95Å; K214-V226 VanDerWaalsContact CE-CG2 3.41Å; K214-V226 HydrophobicContact CG-CG1 4.33Å
215V95.3Very high90Very high0 Ų054.9 Ų54.90%030%0.299CS..EExtended strand (participates in β ladder)trans-115.1130.9177.2-173.70000110.2L159 Y171 E172 V173 V227 G228 I249L159-V215 HydrophobicContact CD1-CG1 4.28Å; L159-V215 HydrophobicContact CD1-CG2 4.5Å; L159-V215 HydrophobicContact CD2-CG1 4.17Å; Y171-V215 HydrophobicContact CD1-CG1 4.44Å; E172-V215 WeakPolarHBondContact O-CA 3.41Å; V173-V215 HydrophobicContact CG2-CG1 4.3Å; V173-V215 HydrophobicContact CG2-CG2 4.16Å; V215-V227 HydrophobicContact CB-CB 4.31Å; V215-V227 HydrophobicContact CG1-CB 4.19Å; V215-V227 HydrophobicContact CG1-CG2 4.35Å; V215-V227 PolarHBondContact O-N 3.47Å; V215-G228 PolarHBondContact N-O 2.98Å; V215-G228 PolarHBondContact O-N 2.76Å; V215-I249 HydrophobicContact CB-CG2 3.74Å; V215-I249 HydrophobicContact CG2-CB 4.42Å; V215-I249 HydrophobicContact CG2-CD1 3.9Å; V215-I249 HydrophobicContact CG2-CG1 3.96Å; V215-I249 HydrophobicContact CG2-CG2 3.55Å
216T94.5Very high90Very high18 Ų1858.5 Ų58.511%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-133.2126.2-174-49.30000111Y171 E172 H224 V225Y171-T216 CarbonylContact C-O 3.58Å; Y171-T216 VanDerWaalsContact CA-O 3.28Å; Y171-T216 WeakPolarHBondContact CA-O 3.48Å; E172-T216 PolarHBondContact N-O 2.85Å; E172-T216 PolarHBondContact O-N 2.71Å; T216-H224 HydrophobicContact CG2-CB 3.83Å; T216-V225 CarbonylContact C-O 3.59Å; T216-V225 WeakPolarHBondContact CA-O 3.45Å; T216-V225 WeakPolarHBondContact CG2-O 3.25Å
217E93.1Very high89.9Confident41 Ų4158.4 Ų58.419%0.19232%0.321CS..EExtended strand (participates in β ladder)trans-81.9128.5176-171-171.1171.800110.6Y171 K219 H224 V225 V227Y171-E217 HydrophobicContact CD1-CB 4.01Å; Y171-E217 HydrophobicContact CD1-CG 4.27Å; Y171-E217 HydrophobicContact CE1-CB 3.82Å; Y171-E217 HydrophobicContact CE1-CG 3.73Å; E217-K219 VanDerWaalsContact CD-NZ 3.34Å; E217-K219 HydrophobicContact CG-CG 4.28Å; E217-K219 PolarHBondContact O-N 3.49Å; E217-K219 WeakPolarHBondContact OE1-CE 3.03Å; E217-K219 IonicContact OE1-NZ 2.79Å; E217-K219 PolarHBondContact OE1-NZ 3.08Å; E217-K219 WeakPolarHBondContact OE2-CE 3.06Å; E217-K219 IonicContact OE2-NZ 2.7Å; E217-K219 PolarHBondContact OE2-NZ 3.24Å; E217-H224 CarbonylContact O-C 3.5Å; E217-H224 WeakPolarHBondContact O-CA 3.31Å; E217-V225 HydrophobicContact CB-CB 4.42Å; E217-V225 PolarHBondContact N-O 3.28Å; E217-V225 PolarHBondContact O-N 3.32Å; E217-V227 HydrophobicContact CB-CG2 3.78Å
218L91.6Very high89.9Confident27 Ų2759 Ų5914%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-101.378.6-171.4-53.7-177.8000111.4Q170 E172 H224Q170-L218 HydrophobicContact CB-CB 3.99Å; Q170-L218 HydrophobicContact CB-CD1 4.42Å; Q170-L218 PolarHBondContact O-N 3.27Å; E172-L218 HydrophobicContact CB-CD1 4.2Å; E172-L218 HydrophobicContact CB-CD2 4.02Å; E172-L218 HydrophobicContact CB-CG 4.35Å; L218-H224 HydrophobicContact CD2-CB 4.45Å
219K84.4Confident90.2Very high121 Ų12160.4 Ų60.453%0.52634%0.339SS..  trans-72.7-37.8-174.3-61.9-173173.6172.50114.2E217 N223 V225E217-K219 VanDerWaalsContact CD-NZ 3.34Å; E217-K219 HydrophobicContact CG-CG 4.28Å; E217-K219 PolarHBondContact O-N 3.49Å; E217-K219 WeakPolarHBondContact OE1-CE 3.03Å; E217-K219 IonicContact OE1-NZ 2.79Å; E217-K219 PolarHBondContact OE1-NZ 3.08Å; E217-K219 WeakPolarHBondContact OE2-CE 3.06Å; E217-K219 IonicContact OE2-NZ 2.7Å; E217-K219 PolarHBondContact OE2-NZ 3.24Å; K219-N223 WeakPolarHBondContact CB-O 3.31Å; K219-N223 PolarHBondContact N-O 3.16Å; K219-N223 VanDerWaalsContact N-O 3.16Å; K219-V225 HydrophobicContact CD-CG2 3.91Å
220S73.7Confident90.3Very high54 Ų5458.2 Ų58.238%0.37833%0.331SS..SBendtrans-154.9177.2174.778.70000110.5A222 N223 H224S220-A222 PolarHBondContact O-N 2.98Å; S220-A222 PolarHBondContact OG-N 3.48Å; S220-N223 PolarHBondContact N-O 2.84Å; S220-N223 VanDerWaalsContact N-O 3.14Å; S220-N223 WeakPolarHBondContact OG-CB 3.47Å; S220-N223 PolarHBondContact OG-N 3.37Å; S220-N223 VanDerWaalsContact OG-N 3.07Å; S220-H224 PolarHBondContact O-CE1 3.22Å; S220-H224 PolarHBondContact O-ND1 3.45Å; S220-H224 VanDerWaalsContact O-ND1 3.11Å
221L71.5Confident90.4Very high180 Ų18057.7 Ų57.794%0.94233%0.334SS*.SBendtrans-58.1-17178.5-65.4174.8000115
222A76Confident90.3Very high85 Ų8558.9 Ų58.970%0.70234%0.342SS*.SBendtrans-126.4-24.1178.900000113.6S220S220-A222 PolarHBondContact O-N 2.98Å; S220-A222 PolarHBondContact OG-N 3.48Å
223N81.8Confident90Very high107 Ų10761.2 Ų61.257%0.57235%0.349SS*.  trans-98.8102.6-179-60.4-25.9000109.3K219 S220K219-N223 WeakPolarHBondContact CB-O 3.31Å; K219-N223 PolarHBondContact N-O 3.16Å; K219-N223 VanDerWaalsContact N-O 3.16Å; S220-N223 PolarHBondContact N-O 2.84Å; S220-N223 VanDerWaalsContact N-O 3.14Å; S220-N223 WeakPolarHBondContact OG-CB 3.47Å; S220-N223 PolarHBondContact OG-N 3.37Å; S220-N223 VanDerWaalsContact OG-N 3.07Å
224H89.9Confident89.8Confident93 Ų9361.7 Ų61.743%0.43135%0.351SS..EExtended strand (participates in β ladder)trans-117.7135.6173.8-63-11.4000108.9T216 E217 L218 S220T216-H224 HydrophobicContact CG2-CB 3.83Å; E217-H224 CarbonylContact O-C 3.5Å; E217-H224 WeakPolarHBondContact O-CA 3.31Å; L218-H224 HydrophobicContact CD2-CB 4.45Å; S220-H224 PolarHBondContact O-CE1 3.22Å; S220-H224 PolarHBondContact O-ND1 3.45Å; S220-H224 VanDerWaalsContact O-ND1 3.11Å
225V91.6Very high89.6Confident62 Ų6259.2 Ų59.238%0.37634%0.342SS..EExtended strand (participates in β ladder)trans-118.7124.4-174.9179.40000109.4T216 E217 K219 V227T216-V225 CarbonylContact C-O 3.59Å; T216-V225 WeakPolarHBondContact CA-O 3.45Å; T216-V225 WeakPolarHBondContact CG2-O 3.25Å; E217-V225 HydrophobicContact CB-CB 4.42Å; E217-V225 PolarHBondContact N-O 3.28Å; E217-V225 PolarHBondContact O-N 3.32Å; K219-V225 HydrophobicContact CD-CG2 3.91Å; V225-V227 PolarHBondContact O-N 3.14Å
226V93.6Very high89.4Confident76 Ų7665 Ų6546%0.46137%0.373SS..EExtended strand (participates in β ladder)trans-70.9119.2176-176.10000108.8K214K214-V226 VanDerWaalsContact CE-CG2 3.41Å; K214-V226 HydrophobicContact CG-CG1 4.33Å
227V92.6Very high89.4Confident31 Ų3164.8 Ų64.819%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-78.2-31.6177.3-179.50000110.5Y171 V215 E217 V225 V255Y171-V227 HydrophobicContact CD1-CG2 4.11Å; Y171-V227 HydrophobicContact CE1-CG2 4.02Å; V215-V227 HydrophobicContact CB-CB 4.31Å; V215-V227 HydrophobicContact CG1-CB 4.19Å; V215-V227 HydrophobicContact CG1-CG2 4.35Å; V215-V227 PolarHBondContact O-N 3.47Å; E217-V227 HydrophobicContact CB-CG2 3.78Å; V225-V227 PolarHBondContact O-N 3.14Å; V227-V255 HydrophobicContact CG1-CB 4.32Å; V227-V255 HydrophobicContact CG1-CG1 4.19Å; V227-V255 HydrophobicContact CG1-CG2 3.97Å
228G94.3Very high89.5Confident13 Ų1363.4 Ų63.413%0.13436%0.364CS..EExtended strand (participates in β ladder)trans170.4172.5174.900000111.7V215 I249V215-G228 PolarHBondContact N-O 2.98Å; V215-G228 PolarHBondContact O-N 2.76Å; G228-I249 CarbonylContact C-O 3.6Å; G228-I249 WeakPolarHBondContact CA-O 3.44Å
229S95.5Very high89.6Confident68 Ų6862.8 Ų62.848%0.47636%0.362SS..EExtended strand (participates in β ladder)trans-152.5133.9177.4-155.10000108.7I213 I249I213-S229 CarbonylContact O-C 3.52Å; I213-S229 WeakPolarHBondContact O-CA 3.45Å; I213-S229 PolarHBondContact O-OG 2.98Å; S229-I249 PolarHBondContact N-O 3.26Å
230V96.6Very high89.8Confident39 Ų3957.1 Ų57.124%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-135.7156.2-177.561.90000108.8S212 I213 V247 I249S212-V230 CarbonylContact C-O 3.49Å; S212-V230 WeakPolarHBondContact CA-O 3.47Å; I213-V230 HydrophobicContact CB-CG1 3.97Å; I213-V230 PolarHBondContact N-O 2.79Å; I213-V230 PolarHBondContact O-N 2.63Å; V230-V247 HydrophobicContact CG1-CG1 3.83Å; V230-I249 HydrophobicContact CG1-CD1 3.96Å
231S95.9Very high90.5Very high70 Ų7055.6 Ų55.649%0.4933%0.325SS..EExtended strand (participates in β ladder)trans-125.9134.7165.2-65.50000108.3L211 S212L211-S231 CarbonylContact O-C 3.56Å; L211-S231 WeakPolarHBondContact O-CA 3.49Å; S212-S231 WeakPolarHBondContact CB-OG 3.49Å; S212-S231 PolarHBondContact OG-OG 3.36Å
232C92.9Very high91.5Very high31 Ų3149.3 Ų49.321%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-129152-176.657.90000112.9L211L211-C232 PolarHBondContact N-O 3.33Å; L211-C232 PolarHBondContact O-N 3.18Å; L211-C232 PolarHBondContact O-SG 2.96Å
233E92.1Very high92.1Very high90 Ų9048 Ų4842%0.42128%0.275SS..  trans-63.2156.8168-164.892.9-104.100111R18 L235R18-E233 IonicContact CZ-OE1 3.17Å; R18-E233 IonicContact NH1-OE1 3.94Å; R18-E233 PolarHBondContact NH1-OE1 3.28Å; R18-E233 IonicContact NH2-OE1 2.76Å; R18-E233 PolarHBondContact NH2-OE1 3.17Å; E233-L235 HydrophobicContact CG-CB 3.97Å; E233-L235 HydrophobicContact CG-CD1 4.36Å; E233-L235 HydrophobicContact CG-CG 3.89Å
234M91.8Very high92.6Very high9 Ų946.4 Ų46.44%0.04427%0.268CS..  trans-128.19.6168.3-66.4-156.6-64.400114F149 Y177 L211 D236 L237F149-M234 HydrophobicContact CD2-CB 4.5Å; F149-M234 HydrophobicContact CD2-CE 3.75Å; F149-M234 HydrophobicContact CD2-SD 4Å; F149-M234 HydrophobicContact CE2-CB 3.87Å; F149-M234 HydrophobicContact CE2-CE 4.01Å; F149-M234 HydrophobicContact CE2-SD 4.33Å; F149-M234 HydrophobicContact CZ-CB 4.41Å; Y177-M234 HydrophobicContact CD1-CE 3.74Å; Y177-M234 HydrophobicContact CD2-CE 3.86Å; Y177-M234 HydrophobicContact CE1-CE 3.39Å; Y177-M234 HydrophobicContact CE2-CE 3.52Å; Y177-M234 HydrophobicContact CG-CE 3.96Å; L211-M234 HydrophobicContact CB-CE 4.36Å; L211-M234 HydrophobicContact CB-CG 4.11Å; L211-M234 HydrophobicContact CB-SD 4.03Å; L211-M234 HydrophobicContact CD2-CG 4.47Å; L211-M234 HydrophobicContact CD2-SD 3.82Å; L211-M234 HydrophobicContact CG-SD 4.4Å; M234-D236 PolarHBondContact O-N 3.43Å; M234-L237 HydrophobicContact CB-CD1 3.78Å; M234-L237 HydrophobicContact CB-CG 4.24Å; M234-L237 HydrophobicContact CG-CD1 3.72Å; M234-L237 VanDerWaalsContact O-CB 3.29Å; M234-L237 WeakPolarHBondContact O-CB 3.46Å; M234-L237 WeakPolarHBondContact O-CG 3.24Å; M234-L237 PolarHBondContact O-N 2.68Å; M234-L237 VanDerWaalsContact O-N 3.13Å; M234-L237 HydrophobicContact SD-CD1 4Å
235L92.9Very high92.7Very high28 Ų2844 Ų4415%0.14726%0.259CS..G310 helixtrans-63.3-41.3-178.4-62.9-173.9000112.7E21 V22 A25 E233 L237 F238E21-L235 HydrophobicContact CB-CD1 4.02Å; V22-L235 HydrophobicContact CB-CD2 4.41Å; V22-L235 HydrophobicContact CG2-CD2 3.77Å; A25-L235 HydrophobicContact CB-CB 3.88Å; A25-L235 HydrophobicContact CB-CD2 4.1Å; A25-L235 HydrophobicContact CB-CG 4.42Å; E233-L235 HydrophobicContact CG-CB 3.97Å; E233-L235 HydrophobicContact CG-CD1 4.36Å; E233-L235 HydrophobicContact CG-CG 3.89Å; L235-L237 PolarHBondContact O-N 3.21Å; L235-F238 HydrophobicContact CD2-CE2 4.17Å; L235-F238 WeakPolarHBondContact O-CD2 3.25Å; L235-F238 PolarHBondContact O-N 3.16Å
236D90.5Very high92.7Very high123 Ų12343.9 Ų43.966%0.65826%0.264SS*.G310 helixtrans-65-7.6176.5-65.5-46.8000114M234M234-D236 PolarHBondContact O-N 3.43Å
237L94.8Very high92.7Very high12 Ų1241.1 Ų41.16%0.06325%0.247CC..G310 helixtrans-88.6-9.4-178.3-46.4-175.3000112.6F149 M234 L235 C239 L245 V261F149-L237 HydrophobicContact CD1-CB 4.22Å; F149-L237 HydrophobicContact CE1-CB 3.66Å; F149-L237 HydrophobicContact CZ-CB 3.95Å; M234-L237 HydrophobicContact CB-CD1 3.78Å; M234-L237 HydrophobicContact CB-CG 4.24Å; M234-L237 HydrophobicContact CG-CD1 3.72Å; M234-L237 VanDerWaalsContact O-CB 3.29Å; M234-L237 WeakPolarHBondContact O-CB 3.46Å; M234-L237 WeakPolarHBondContact O-CG 3.24Å; M234-L237 PolarHBondContact O-N 2.68Å; M234-L237 VanDerWaalsContact O-N 3.13Å; M234-L237 HydrophobicContact SD-CD1 4Å; L235-L237 PolarHBondContact O-N 3.21Å; L237-C239 PolarHBondContact O-N 3.24Å; L237-C239 PolarHBondContact O-SG 3.05Å; L237-C239 VanDerWaalsContact O-SG 3.4Å; L237-L245 HydrophobicContact CD1-CD1 3.91Å; L237-L245 HydrophobicContact CD2-CD1 3.76Å; L237-L245 HydrophobicContact CD2-CD2 3.71Å; L237-L245 HydrophobicContact CD2-CG 4.24Å; L237-V261 HydrophobicContact CB-CG1 4.48Å; L237-V261 HydrophobicContact CD1-CB 4.37Å; L237-V261 HydrophobicContact CD1-CG1 4.06Å; L237-V261 HydrophobicContact CD1-CG2 4.24Å
238F95.9Very high92.7Very high12 Ų1242.3 Ų42.35%0.05325%0.252CS..  trans-69.975.8170.7-70.4-62.1000110.9A25 L26 G29 M146 F149 P205 L235 W263A25-F238 HydrophobicContact CB-CD2 3.84Å; A25-F238 WeakPolarHBondContact O-CB 3.21Å; L26-F238 HydrophobicContact CD1-CD1 4.03Å; L26-F238 HydrophobicContact CD1-CE1 4Å; G29-F238 WeakPolarHBondContact CA-O 3.41Å; M146-F238 HydrophobicContact CB-CE1 4.28Å; M146-F238 HydrophobicContact CB-CZ 4.25Å; M146-F238 HydrophobicContact CE-CE2 4.14Å; M146-F238 HydrophobicContact CE-CZ 3.65Å; M146-F238 HydrophobicContact CG-CZ 4.36Å; F149-F238 HydrophobicContact CE1-CD1 4.09Å; F149-F238 HydrophobicContact CE1-CE1 4.09Å; F149-F238 HydrophobicContact CE2-CE1 4.39Å; F149-F238 HydrophobicContact CE2-CZ 4.2Å; F149-F238 AromaticContact CZ-CD1 3.9Å; F149-F238 HydrophobicContact CZ-CD1 3.9Å; F149-F238 HydrophobicContact CZ-CD2 4.32Å; F149-F238 AromaticContact CZ-CE1 3.58Å; F149-F238 HydrophobicContact CZ-CE1 3.58Å; F149-F238 HydrophobicContact CZ-CE2 4.05Å; F149-F238 HydrophobicContact CZ-CG 4.24Å; F149-F238 AromaticContact CZ-CZ 3.66Å; F149-F238 HydrophobicContact CZ-CZ 3.66Å; P205-F238 HydrophobicContact CB-CE1 4.43Å; P205-F238 HydrophobicContact CB-CZ 3.99Å; P205-F238 HydrophobicContact CG-CE1 4.2Å; P205-F238 HydrophobicContact CG-CZ 4.26Å; L235-F238 HydrophobicContact CD2-CE2 4.17Å; L235-F238 WeakPolarHBondContact O-CD2 3.25Å; L235-F238 PolarHBondContact O-N 3.16Å; F238-W263 HydrophobicContact CB-CE3 4.46Å; F238-W263 HydrophobicContact CB-CZ3 4.36Å; F238-W263 AromaticContact CD1-CD2 3.91Å; F238-W263 HydrophobicContact CD1-CD2 3.91Å; F238-W263 AromaticContact CD1-CE2 3.52Å; F238-W263 HydrophobicContact CD1-CE3 4.4Å; F238-W263 HydrophobicContact CD1-CG 4.35Å; F238-W263 HydrophobicContact CD1-CH2 4.18Å; F238-W263 AromaticContact CD1-CZ2 3.7Å; F238-W263 HydrophobicContact CD1-CZ2 3.7Å; F238-W263 AromaticContact CD1-NE1 3.72Å; F238-W263 HydrophobicContact CE1-CZ2 4.27Å; F238-W263 AromaticContact CE1-NE1 3.78Å
239C92.6Very high92.7Very high15 Ų1541.8 Ų41.810%0.10125%0.246CC..SBendtrans-149.3154.5-175.365.60000112.6L237 L241 Q243 W263L237-C239 PolarHBondContact O-N 3.24Å; L237-C239 PolarHBondContact O-SG 3.05Å; L237-C239 VanDerWaalsContact O-SG 3.4Å; C239-L241 VanDerWaalsContact C-N 3.32Å; C239-L241 PolarHBondContact O-N 3.3Å; C239-L241 PolarHBondContact SG-O 3.5Å; C239-L241 VanDerWaalsContact SG-O 3.38Å; C239-Q243 WeakPolarHBondContact SG-CG 3.41Å; C239-Q243 PolarHBondContact SG-NE2 3.07Å; C239-W263 VanDerWaalsContact N-CE3 3.33Å
240P90Very high92.5Very high1 Ų139.5 Ų39.51%0.00623%0.229CC..SBendtrans-77.7-6.5-172.529.5-36.6000115.9Y33 V36 R295 F299Y33-P240 HydrophobicContact CD1-CB 3.93Å; Y33-P240 HydrophobicContact CD2-CB 3.83Å; Y33-P240 HydrophobicContact CE1-CB 4.08Å; Y33-P240 HydrophobicContact CE2-CB 3.98Å; Y33-P240 HydrophobicContact CG-CB 3.8Å; V36-P240 HydrophobicContact CB-CB 4.5Å; V36-P240 HydrophobicContact CB-CG 4.32Å; V36-P240 HydrophobicContact CG2-CB 4.44Å; V36-P240 HydrophobicContact CG2-CG 3.77Å; P240-R295 VanDerWaalsContact O-CZ 3.24Å; P240-R295 PolarHBondContact O-NH1 2.94Å; P240-R295 PolarHBondContact O-NH2 3.5Å; P240-F299 HydrophobicContact CG-CE2 4.5Å
241L87.9Confident92.2Very high23 Ų2345.9 Ų45.912%0.1226%0.262CS..SBendtrans-119.9147.6-177.1-67.2-170.6000111.9C239 Q243 R295 F299C239-L241 VanDerWaalsContact C-N 3.32Å; C239-L241 PolarHBondContact O-N 3.3Å; C239-L241 PolarHBondContact SG-O 3.5Å; C239-L241 VanDerWaalsContact SG-O 3.38Å; L241-Q243 PolarHBondContact O-N 3.36Å; L241-Q243 PolarHBondContact O-NE2 3.2Å; L241-R295 HydrophobicContact CD2-CG 4.08Å; L241-F299 HydrophobicContact CD1-CB 3.65Å; L241-F299 HydrophobicContact CD1-CD1 3.43Å; L241-F299 VanDerWaalsContact CD1-CD1 3.43Å; L241-F299 HydrophobicContact CD1-CD2 4.23Å; L241-F299 HydrophobicContact CD1-CE1 4.06Å; L241-F299 HydrophobicContact CD1-CG 3.51Å; L241-F299 HydrophobicContact CG-CD1 4.44Å; L241-F299 HydrophobicContact CG-CG 4.3Å
242P91.6Very high91.8Very high47 Ų4748.8 Ų48.831%0.30527%0.271SS..PPolyproline II helixtrans-57125.3172.8-22.933.1000112.4E260 V261 T262 L283P242-E260 HydrophobicContact CB-CG 4.11Å; P242-V261 CarbonylContact C-O 3.39Å; P242-V261 WeakPolarHBondContact CA-O 3.44Å; P242-T262 WeakPolarHBondContact CB-OG1 3.5Å; P242-T262 HydrophobicContact CG-CG2 4.27Å; P242-T262 WeakPolarHBondContact CG-OG1 3.37Å; P242-L283 HydrophobicContact CG-CD2 4.37Å
243Q90.4Very high91.6Very high59 Ų5948 Ų4828%0.27627%0.268SS..EExtended strand (participates in β ladder)trans-96.2129.8176.9-59.6-52.3-51.700110.9C239 L241 L245 E260 V261C239-Q243 WeakPolarHBondContact SG-CG 3.41Å; C239-Q243 PolarHBondContact SG-NE2 3.07Å; L241-Q243 PolarHBondContact O-N 3.36Å; L241-Q243 PolarHBondContact O-NE2 3.2Å; Q243-L245 HydrophobicContact CB-CD2 4.21Å; Q243-E260 CarbonylContact O-C 3.58Å; Q243-E260 VanDerWaalsContact O-CA 3.3Å; Q243-E260 WeakPolarHBondContact O-CA 3.37Å; Q243-V261 PolarHBondContact N-O 2.91Å; Q243-V261 PolarHBondContact O-N 3.01Å
244T91.1Very high91.4Very high72 Ų7245.5 Ų45.544%0.44226%0.259SS..EExtended strand (participates in β ladder)trans-86.6116.5165.1-65.90000109.5K154 L259K154-T244 HydrophobicContact CD-CG2 3.79Å; K154-T244 PolarHBondContact NZ-OG1 3.17Å; T244-L259 CarbonylContact C-O 3.58Å; T244-L259 WeakPolarHBondContact CA-O 3.44Å
245L91.8Very high91.3Very high44 Ų4445.1 Ų45.123%0.2326%0.257CS..EExtended strand (participates in β ladder)trans-101.9132.4175.4-52.8-179.2000109.8L237 Q243 V247 N258 L259 V261L237-L245 HydrophobicContact CD1-CD1 3.91Å; L237-L245 HydrophobicContact CD2-CD1 3.76Å; L237-L245 HydrophobicContact CD2-CD2 3.71Å; L237-L245 HydrophobicContact CD2-CG 4.24Å; Q243-L245 HydrophobicContact CB-CD2 4.21Å; L245-V247 HydrophobicContact CB-CG2 4.18Å; L245-N258 CarbonylContact O-C 3.53Å; L245-N258 WeakPolarHBondContact O-CA 3.25Å; L245-L259 HydrophobicContact CB-CB 4.47Å; L245-L259 PolarHBondContact N-O 2.9Å; L245-L259 PolarHBondContact O-N 3.24Å; L245-V261 HydrophobicContact CD1-CG2 3.65Å; L245-V261 HydrophobicContact CG-CG2 4.24Å
246A92.1Very high91.3Very high58 Ų5845.2 Ų45.248%0.47926%0.256SS..EExtended strand (participates in β ladder)trans-112.992.4169.800000108.2
247V93.1Very high91.4Very high19 Ų1939.3 Ų39.312%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-88.8122.8-172.1-169.90000110.3I213 V230 L245 I249 K256 L257I213-V247 HydrophobicContact CD1-CG1 4.42Å; V230-V247 HydrophobicContact CG1-CG1 3.83Å; L245-V247 HydrophobicContact CB-CG2 4.18Å; V247-I249 PolarHBondContact O-N 3.43Å; V247-K256 CarbonylContact O-C 3.56Å; V247-K256 VanDerWaalsContact O-CA 3.28Å; V247-K256 WeakPolarHBondContact O-CA 3.43Å; V247-L257 PolarHBondContact N-O 3.09Å; V247-L257 PolarHBondContact O-N 3.42Å
248D93.3Very high91.3Very high55 Ų5540.3 Ų40.329%0.29423%0.23SC..EExtended strand (participates in β ladder)trans-76.7119.1179.7-77.833.5000110.8G253 K256D248-G253 WeakPolarHBondContact OD2-CA 3.43Å; D248-K256 WeakPolarHBondContact OD1-CG 3.43Å; D248-K256 IonicContact OD1-NZ 3.8Å; D248-K256 PolarHBondContact OD1-NZ 3.05Å; D248-K256 IonicContact OD2-NZ 2.83Å; D248-K256 PolarHBondContact OD2-NZ 2.96Å
249I94.4Very high91.1Very high2 Ų239.8 Ų39.81%0.0123%0.228CC..SBendtrans-87-19.9-171.4-64-54000112.2I213 V215 G228 S229 V230 V247 V255 L257I213-I249 HydrophobicContact CG2-CD1 3.95Å; V215-I249 HydrophobicContact CB-CG2 3.74Å; V215-I249 HydrophobicContact CG2-CB 4.42Å; V215-I249 HydrophobicContact CG2-CD1 3.9Å; V215-I249 HydrophobicContact CG2-CG1 3.96Å; V215-I249 HydrophobicContact CG2-CG2 3.55Å; G228-I249 CarbonylContact C-O 3.6Å; G228-I249 WeakPolarHBondContact CA-O 3.44Å; S229-I249 PolarHBondContact N-O 3.26Å; V230-I249 HydrophobicContact CG1-CD1 3.96Å; V247-I249 PolarHBondContact O-N 3.43Å; I249-V255 HydrophobicContact CB-CB 4.42Å; I249-V255 HydrophobicContact CB-CG1 4.24Å; I249-V255 WeakPolarHBondContact CB-O 3.32Å; I249-V255 HydrophobicContact CG2-CG1 4.47Å; I249-V255 PolarHBondContact N-O 3.36Å; I249-L257 HydrophobicContact CD1-CB 3.77Å; I249-L257 HydrophobicContact CD1-CD2 4.4Å; I249-L257 HydrophobicContact CG1-CB 3.9Å
250N91.3Very high91.2Very high21 Ų2141.8 Ų41.811%0.11224%0.236CC..SBendtrans-139.7154.517354.569.3000111.3L252 G253 T254 V255N250-L252 PolarHBondContact O-N 3.14Å; N250-G253 PolarHBondContact O-N 3.41Å; N250-T254 PolarHBondContact ND2-OG1 2.74Å; N250-T254 PolarHBondContact OD1-N 2.86Å; N250-T254 PolarHBondContact OD1-OG1 3.27Å; N250-V255 WeakPolarHBondContact ND2-CB 3.48Å
251D90.1Very high91.4Very high172 Ų17242 Ų4292%0.9224%0.237SC*.THydrogen-bonded Turntrans-54.4-14-176.6-35.7-26.9000115.1
252L88.4Confident91.8Very high132 Ų13242.5 Ų42.569%0.69124%0.241SC*.THydrogen-bonded Turntrans-95.6-2.6178.8-56.1177.8000113.1N250 T254N250-L252 PolarHBondContact O-N 3.14Å; L252-T254 HydrophobicContact CB-CG2 3.74Å; L252-T254 PolarHBondContact O-N 2.82Å
253G87.3Confident92Very high14 Ų1440.4 Ų40.414%0.14423%0.227CC..SBendtrans60.711.3-175.400000115.4D248 N250 V255D248-G253 WeakPolarHBondContact OD2-CA 3.43Å; N250-G253 PolarHBondContact O-N 3.41Å; G253-V255 VanDerWaalsContact C-N 3.32Å; G253-V255 PolarHBondContact O-N 3.36Å
254T88.3Confident92.2Very high37 Ų3738.7 Ų38.723%0.22722%0.222CC..  trans-75.8-20.3-172.459.10000113.8G161 F162 R164 N250 L252G161-T254 WeakPolarHBondContact CA-O 3.41Å; F162-T254 PolarHBondContact N-O 2.85Å; F162-T254 VanDerWaalsContact N-O 3.07Å; R164-T254 PolarHBondContact NH1-OG1 3.07Å; N250-T254 PolarHBondContact ND2-OG1 2.74Å; N250-T254 PolarHBondContact OD1-N 2.86Å; N250-T254 PolarHBondContact OD1-OG1 3.27Å; L252-T254 HydrophobicContact CB-CG2 3.74Å; L252-T254 PolarHBondContact O-N 2.82Å
255V90.3Very high92.3Very high1 Ų135.4 Ų35.41%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-129.5127.2173.8-178.90000107.3L159 A160 V227 I249 N250 G253L159-V255 HydrophobicContact CD1-CG1 3.7Å; L159-V255 HydrophobicContact CG-CG1 4.14Å; A160-V255 CarbonylContact O-C 3.59Å; A160-V255 VanDerWaalsContact O-CA 3.27Å; A160-V255 WeakPolarHBondContact O-CA 3.37Å; V227-V255 HydrophobicContact CG1-CB 4.32Å; V227-V255 HydrophobicContact CG1-CG1 4.19Å; V227-V255 HydrophobicContact CG1-CG2 3.97Å; I249-V255 HydrophobicContact CB-CB 4.42Å; I249-V255 HydrophobicContact CB-CG1 4.24Å; I249-V255 WeakPolarHBondContact CB-O 3.32Å; I249-V255 HydrophobicContact CG2-CG1 4.47Å; I249-V255 PolarHBondContact N-O 3.36Å; N250-V255 WeakPolarHBondContact ND2-CB 3.48Å; G253-V255 VanDerWaalsContact C-N 3.32Å; G253-V255 PolarHBondContact O-N 3.36Å
256K91.8Very high92.3Very high30 Ų3034.1 Ų34.113%0.1319%0.194CC..EExtended strand (participates in β ladder)trans-128144.8-177.8-56.3-176178.8-78.20109.6A160 V247 D248A160-K256 PolarHBondContact N-O 3.16Å; A160-K256 PolarHBondContact O-N 2.86Å; V247-K256 CarbonylContact O-C 3.56Å; V247-K256 VanDerWaalsContact O-CA 3.28Å; V247-K256 WeakPolarHBondContact O-CA 3.43Å; D248-K256 WeakPolarHBondContact OD1-CG 3.43Å; D248-K256 IonicContact OD1-NZ 3.8Å; D248-K256 PolarHBondContact OD1-NZ 3.05Å; D248-K256 IonicContact OD2-NZ 2.83Å; D248-K256 PolarHBondContact OD2-NZ 2.96Å
257L92.8Very high91.5Very high0 Ų034.1 Ų34.10%019%0.186CC..EExtended strand (participates in β ladder)trans-108.6117176.1-174.676.2000109M153 G158 L159 V173 M175 I213 V247 I249 L259M153-L257 HydrophobicContact CE-CD1 3.5Å; M153-L257 VanDerWaalsContact CE-CD1 3.5Å; G158-L257 CarbonylContact O-C 3.58Å; G158-L257 WeakPolarHBondContact O-CA 3.44Å; L159-L257 HydrophobicContact CD1-CD1 3.99Å; V173-L257 HydrophobicContact CG1-CD1 4.36Å; V173-L257 HydrophobicContact CG1-CD2 4.06Å; V173-L257 HydrophobicContact CG2-CD1 4.2Å; M175-L257 HydrophobicContact CE-CD2 4Å; I213-L257 HydrophobicContact CD1-CD2 4.17Å; I213-L257 HydrophobicContact CG2-CD2 3.68Å; V247-L257 PolarHBondContact N-O 3.09Å; V247-L257 PolarHBondContact O-N 3.42Å; I249-L257 HydrophobicContact CD1-CB 3.77Å; I249-L257 HydrophobicContact CD1-CD2 4.4Å; I249-L257 HydrophobicContact CG1-CB 3.9Å; L257-L259 HydrophobicContact CD2-CD1 4.08Å; L257-L259 HydrophobicContact CD2-CD2 3.99Å; L257-L259 HydrophobicContact CD2-CG 4.13Å; L257-L259 HydrophobicContact CG-CD2 3.94Å; L257-L259 HydrophobicContact CG-CG 4.14Å
258N92.2Very high90.2Very high32 Ų3240.2 Ų40.217%0.17121%0.207CC..EExtended strand (participates in β ladder)trans-91.5113179.8-58.2-53.9000109.3K154 S157 G158 L245K154-N258 HydrophobicContact CB-CB 3.88Å; K154-N258 WeakPolarHBondContact CB-O 3.49Å; K154-N258 PolarHBondContact N-O 2.92Å; S157-N258 PolarHBondContact O-ND2 3.36Å; G158-N258 PolarHBondContact O-N 3.01Å; L245-N258 CarbonylContact O-C 3.53Å; L245-N258 WeakPolarHBondContact O-CA 3.25Å
259L93.1Very high88.4Confident2 Ų243.9 Ų43.91%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-117.1156.6177.3-56.4179.9000110.3V151 K152 M175 I213 T244 L245 L257V151-L259 HydrophobicContact CG1-CB 4.46Å; V151-L259 HydrophobicContact CG1-CD1 4.15Å; K152-L259 CarbonylContact O-C 3.56Å; K152-L259 VanDerWaalsContact O-CA 3.3Å; K152-L259 WeakPolarHBondContact O-CA 3.39Å; M175-L259 HydrophobicContact CE-CD1 3.9Å; M175-L259 HydrophobicContact CE-CD2 3.73Å; M175-L259 HydrophobicContact CE-CG 4.49Å; M175-L259 HydrophobicContact SD-CD1 4.14Å; I213-L259 HydrophobicContact CD1-CD1 4.24Å; T244-L259 CarbonylContact C-O 3.58Å; T244-L259 WeakPolarHBondContact CA-O 3.44Å; L245-L259 HydrophobicContact CB-CB 4.47Å; L245-L259 PolarHBondContact N-O 2.9Å; L245-L259 PolarHBondContact O-N 3.24Å; L257-L259 HydrophobicContact CD2-CD1 4.08Å; L257-L259 HydrophobicContact CD2-CD2 3.99Å; L257-L259 HydrophobicContact CD2-CG 4.13Å; L257-L259 HydrophobicContact CG-CD2 3.94Å; L257-L259 HydrophobicContact CG-CG 4.14Å
260E93.8Very high86.5Confident57 Ų5747.6 Ų47.627%0.26625%0.247SC..EExtended strand (participates in β ladder)trans-118.5125.2165.7179.9178.2102.900108.2K152 P242 Q243K152-E260 HydrophobicContact CB-CB 4.33Å; K152-E260 PolarHBondContact N-O 3.26Å; K152-E260 PolarHBondContact O-N 2.98Å; P242-E260 HydrophobicContact CB-CG 4.11Å; Q243-E260 CarbonylContact O-C 3.58Å; Q243-E260 VanDerWaalsContact O-CA 3.3Å; Q243-E260 WeakPolarHBondContact O-CA 3.37Å
261V95.1Very high84.6Confident4 Ų450 Ų502%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-118.8123.5-179.7-173.20000109.6F149 H150 V151 L237 P242 Q243 L245F149-V261 HydrophobicContact CB-CG1 4.06Å; F149-V261 HydrophobicContact CD1-CG1 4.12Å; F149-V261 HydrophobicContact CG-CG1 4.33Å; H150-V261 WeakPolarHBondContact O-CA 3.4Å; V151-V261 HydrophobicContact CG1-CG2 4.21Å; V151-V261 HydrophobicContact CG2-CG1 4.1Å; V151-V261 HydrophobicContact CG2-CG2 4.05Å; L237-V261 HydrophobicContact CB-CG1 4.48Å; L237-V261 HydrophobicContact CD1-CB 4.37Å; L237-V261 HydrophobicContact CD1-CG1 4.06Å; L237-V261 HydrophobicContact CD1-CG2 4.24Å; P242-V261 CarbonylContact C-O 3.39Å; P242-V261 WeakPolarHBondContact CA-O 3.44Å; Q243-V261 PolarHBondContact N-O 2.91Å; Q243-V261 PolarHBondContact O-N 3.01Å; L245-V261 HydrophobicContact CD1-CG2 3.65Å; L245-V261 HydrophobicContact CG-CG2 4.24Å
262T95.4Very high82.3Confident34 Ų3447 Ų4721%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-113.1122.8170.7-53.10000108.7H150 P242H150-T262 WeakPolarHBondContact CB-O 3.26Å; H150-T262 PolarHBondContact N-O 3.16Å; H150-T262 PolarHBondContact O-N 3.01Å; P242-T262 WeakPolarHBondContact CB-OG1 3.5Å; P242-T262 HydrophobicContact CG-CG2 4.27Å; P242-T262 WeakPolarHBondContact CG-OG1 3.37Å
263W96.3Very high80Confident3 Ų345.9 Ų45.91%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-82.8141.9171.5177.149.6000111L26 L30 Y33 M146 E148 F149 F238 C239 P265L26-W263 HydrophobicContact CD1-CH2 4.05Å; L26-W263 HydrophobicContact CD1-CZ2 3.58Å; L30-W263 HydrophobicContact CD2-CH2 3.77Å; L30-W263 HydrophobicContact CD2-CZ2 4.19Å; L30-W263 HydrophobicContact CG-CH2 3.99Å; Y33-W263 AromaticContact CD2-CE3 3.85Å; Y33-W263 HydrophobicContact CD2-CE3 3.85Å; Y33-W263 HydrophobicContact CD2-CH2 4.39Å; Y33-W263 AromaticContact CD2-CZ3 3.59Å; Y33-W263 HydrophobicContact CD2-CZ3 3.59Å; Y33-W263 HydrophobicContact CE2-CD2 4.4Å; Y33-W263 AromaticContact CE2-CE3 3.64Å; Y33-W263 HydrophobicContact CE2-CE3 3.64Å; Y33-W263 AromaticContact CE2-CZ3 3.89Å; Y33-W263 HydrophobicContact CE2-CZ3 3.89Å; Y33-W263 PolarHBondContact OH-O 3.22Å; M146-W263 PolarHBondContact O-NE1 3.4Å; E148-W263 CarbonylContact O-C 3.37Å; E148-W263 WeakPolarHBondContact O-CA 3.46Å; F149-W263 HydrophobicContact CD1-CB 3.83Å; F149-W263 AromaticContact CD1-CD1 3.81Å; F149-W263 HydrophobicContact CD1-CG 4.09Å; F149-W263 HydrophobicContact CE1-CB 3.89Å; F149-W263 AromaticContact CE1-CD1 3.7Å; F149-W263 AromaticContact CE1-CG 3.88Å; F149-W263 HydrophobicContact CE1-CG 3.88Å; F238-W263 HydrophobicContact CB-CE3 4.46Å; F238-W263 HydrophobicContact CB-CZ3 4.36Å; F238-W263 AromaticContact CD1-CD2 3.91Å; F238-W263 HydrophobicContact CD1-CD2 3.91Å; F238-W263 AromaticContact CD1-CE2 3.52Å; F238-W263 HydrophobicContact CD1-CE3 4.4Å; F238-W263 HydrophobicContact CD1-CG 4.35Å; F238-W263 HydrophobicContact CD1-CH2 4.18Å; F238-W263 AromaticContact CD1-CZ2 3.7Å; F238-W263 HydrophobicContact CD1-CZ2 3.7Å; F238-W263 AromaticContact CD1-NE1 3.72Å; F238-W263 HydrophobicContact CE1-CZ2 4.27Å; F238-W263 AromaticContact CE1-NE1 3.78Å; C239-W263 VanDerWaalsContact N-CE3 3.33Å; W263-P265 HydrophobicContact CH2-CB 3.98Å; W263-P265 HydrophobicContact CZ2-CB 3.66Å
264S94.6Very high77.7Confident23 Ų2347.6 Ų47.616%0.16126%0.258CS..EExtended strand (participates in β ladder)trans-116.1120.3164.8-178.50000108G147 E148 F266G147-S264 WeakPolarHBondContact CA-O 3.23Å; E148-S264 PolarHBondContact N-O 3.17Å; E148-S264 PolarHBondContact O-N 2.78Å; S264-F266 PolarHBondContact O-N 3.29Å; S264-F266 VanDerWaalsContact O-N 3.15Å; S264-F266 PolarHBondContact OG-O 3.05Å
265P94.1Very high75.3Confident3 Ų351.5 Ų51.52%0.01929%0.287CS..SBendtrans-74.55.2177.629.4-33.1000113.6L30 Y33 L77 H80 W263L30-P265 HydrophobicContact CD2-CB 3.68Å; Y33-P265 HydrophobicContact CD2-CG 4.05Å; Y33-P265 HydrophobicContact CE2-CG 3.82Å; Y33-P265 HydrophobicContact CG-CG 4.49Å; L77-P265 HydrophobicContact CD2-CB 4.08Å; L77-P265 HydrophobicContact CD2-CG 3.71Å; H80-P265 PolarHBondContact CE1-O 3.34Å; H80-P265 PolarHBondContact ND1-O 3.19Å; W263-P265 HydrophobicContact CH2-CB 3.98Å; W263-P265 HydrophobicContact CZ2-CB 3.66Å
266F90.1Very high72.8Confident18 Ų1854.3 Ų54.38%0.07931%0.307CS..SBendtrans-138.6142.8176.7-54.3-78.4000110.1F73 R76 L77 H80 S264F73-F266 HydrophobicContact CD2-CE2 4.33Å; F73-F266 AromaticContact CE2-CD2 3.89Å; F73-F266 HydrophobicContact CE2-CD2 3.89Å; F73-F266 AromaticContact CE2-CE2 3.57Å; F73-F266 HydrophobicContact CE2-CE2 3.57Å; F73-F266 HydrophobicContact CZ-CD2 4.34Å; F73-F266 AromaticContact CZ-CE2 3.94Å; F73-F266 HydrophobicContact CZ-CE2 3.94Å; R76-F266 HydrophobicContact CB-CE1 4.28Å; R76-F266 HydrophobicContact CB-CZ 3.82Å; L77-F266 HydrophobicContact CD2-CE2 3.77Å; L77-F266 HydrophobicContact CD2-CZ 3.89Å; L77-F266 HydrophobicContact CG-CE2 4.11Å; L77-F266 HydrophobicContact CG-CZ 4.13Å; H80-F266 HydrophobicContact CB-CE1 3.95Å; H80-F266 HydrophobicContact CB-CZ 4.36Å; H80-F266 AromaticContact ND1-CE1 3.78Å; S264-F266 PolarHBondContact O-N 3.29Å; S264-F266 VanDerWaalsContact O-N 3.15Å; S264-F266 PolarHBondContact OG-O 3.05Å
267D76.9Confident70.3Confident58 Ų5856.5 Ų56.531%0.3132%0.323SS..  trans-70.7168.8173.7-154.3-35.9000111.1Q204 D270 Q271Q204-D267 PolarHBondContact NE2-OD2 3.32Å; D267-D270 PolarHBondContact O-N 2.81Å; D267-Q271 PolarHBondContact O-N 3Å
268R64.7Low68Low146 Ų14658.7 Ų58.755%0.55134%0.336SS*.SBendtrans-71.5-35.6-170.6-42.8-17197.8-143.18.8112.8E148 D270 Q271E148-R268 WeakPolarHBondContact OE1-CD 3.43Å; E148-R268 WeakPolarHBondContact OE1-CG 3.3Å; E148-R268 WeakPolarHBondContact OE2-CG 3.2Å; E148-R268 IonicContact OE2-NE 3.13Å; R268-D270 PolarHBondContact O-N 3.33Å; R268-Q271 WeakPolarHBondContact O-CB 3.24Å; R268-Q271 PolarHBondContact O-N 3.12Å; R268-Q271 VanDerWaalsContact O-N 3.17Å
269D55.9Low65.5Low133 Ų13360.8 Ų60.871%0.71135%0.353SS*.G310 helixtrans-65.8-33.8175.8-71.2-25.7000110.7Q271 T272D269-Q271 PolarHBondContact O-N 3.16Å; D269-T272 WeakPolarHBondContact O-CB 3.44Å; D269-T272 VanDerWaalsContact O-CG2 3.25Å; D269-T272 WeakPolarHBondContact O-CG2 3.21Å; D269-T272 PolarHBondContact O-N 3.29Å; D269-T272 PolarHBondContact O-OG1 3.33Å
270D55.2Low62.8Low79 Ų7969.3 Ų69.342%0.42239%0.39SS..G310 helixtrans-76.2-6.3177.4-148.835.8000113.1R76 D267 R268R76-D270 IonicContact CZ-OD2 2.75Å; R76-D270 PolarHBondContact NH1-O 2.87Å; R76-D270 PolarHBondContact NH2-O 3.19Å; R76-D270 IonicContact NH2-OD1 2.7Å; R76-D270 IonicContact NH2-OD2 2.79Å; R76-D270 PolarHBondContact NH2-OD2 3.05Å; D267-D270 PolarHBondContact O-N 2.81Å; R268-D270 PolarHBondContact O-N 3.33Å
271Q50.6Low60.4Low71 Ų7172.8 Ų72.833%0.33240%0.401SS..G310 helixtrans-85.9-11.2170-64.31765300113.2D267 R268 D269 S273 S274 S275D267-Q271 PolarHBondContact O-N 3Å; R268-Q271 WeakPolarHBondContact O-CB 3.24Å; R268-Q271 PolarHBondContact O-N 3.12Å; R268-Q271 VanDerWaalsContact O-N 3.17Å; D269-Q271 PolarHBondContact O-N 3.16Å; Q271-S273 VanDerWaalsContact C-N 3.28Å; Q271-S273 PolarHBondContact O-N 3.08Å; Q271-S274 CarbonylContact O-C 3.58Å; Q271-S274 PolarHBondContact O-N 3.37Å; Q271-S275 PolarHBondContact O-N 3.26Å
272T40.8Very low58Low110 Ų11075.1 Ų75.168%0.67541%0.413SS*.G310 helixtrans-60.6-36.8-178.756.20000112.6D269 S274D269-T272 WeakPolarHBondContact O-CB 3.44Å; D269-T272 VanDerWaalsContact O-CG2 3.25Å; D269-T272 WeakPolarHBondContact O-CG2 3.21Å; D269-T272 PolarHBondContact O-N 3.29Å; D269-T272 PolarHBondContact O-OG1 3.33Å; T272-S274 PolarHBondContact O-N 2.9Å
273S40.8Very low55.4Low109 Ų10978.6 Ų78.676%0.76243%0.43SS*.G310 helixtrans-71.4-9.5174.7-600000114.7Q271Q271-S273 VanDerWaalsContact C-N 3.28Å; Q271-S273 PolarHBondContact O-N 3.08Å
274S39.3Very low52.6Low49 Ų4982 Ų8234%0.34345%0.454SS..G310 helixtrans-144.244.4-172.460.10000113.8R76 Q271 T272 S276R76-S274 PolarHBondContact NH1-OG 3.4Å; Q271-S274 CarbonylContact O-C 3.58Å; Q271-S274 PolarHBondContact O-N 3.37Å; T272-S274 PolarHBondContact O-N 2.9Å; S274-S276 PolarHBondContact O-N 2.86Å
275S37.5Very low49.8Very low119 Ų11986.1 Ų86.183%0.83247%0.474SS*.  trans-7166.6168.7-167.40000111.8Q271Q271-S275 PolarHBondContact O-N 3.26Å
276S38Very low47.3Very low60 Ų6094.8 Ų94.842%0.4251%0.514SS..SBendtrans-121.130.1-174.665.10000113.4S274 V278S274-S276 PolarHBondContact O-N 2.86Å; S276-V278 VanDerWaalsContact C-N 3.25Å; S276-V278 PolarHBondContact O-N 2.98Å
277T40.2Very low44.9Very low77 Ų7796.4 Ų96.447%0.47253%0.528SS..SBendtrans67.5-5.8166.471.30000118.4K280 R281T277-K280 PolarHBondContact O-N 3.03Å; T277-R281 PolarHBondContact O-N 2.9Å; T277-R281 PolarHBondContact OG1-NE 3.49Å; T277-R281 PolarHBondContact OG1-NH2 3.1Å
278V44.6Very low43.1Very low46 Ų4697.8 Ų97.828%0.27954%0.54SS..Hα-helixtrans-58.7-58.8-172.4-172.70000111.8A69 S276 K280 R281 L282A69-V278 HydrophobicContact CB-CG2 4.3Å; S276-V278 VanDerWaalsContact C-N 3.25Å; S276-V278 PolarHBondContact O-N 2.98Å; V278-K280 PolarHBondContact O-N 2.96Å; V278-R281 CarbonylContact O-C 3.6Å; V278-R281 PolarHBondContact O-N 2.96Å; V278-L282 HydrophobicContact CG1-CD1 4.09Å; V278-L282 HydrophobicContact CG1-CG 4.11Å; V278-L282 WeakPolarHBondContact O-CG 3.24Å; V278-L282 PolarHBondContact O-N 3.32Å
279S39.2Very low42.2Very low76 Ų7697.1 Ų97.153%0.53156%0.555SS.*Hα-helixtrans-56.9-27.7-178.4-38.60000114.2
280K36.3Very low41.5Very low180 Ų18098 Ų9878%0.78356%0.559SS**Hα-helixtrans-89.3-22.3176.9-67.4-176.8179.6176.40113.6T277 V278T277-K280 PolarHBondContact O-N 3.03Å; V278-K280 PolarHBondContact O-N 2.96Å
281R43.4Very low41Very low130 Ų13097.7 Ų97.749%0.49156%0.56SS.*Hα-helixtrans-86.6-24.7171-74.7-164.2-77.2146.7-6.4113.2T277 V278 L283 S284 N285T277-R281 PolarHBondContact O-N 2.9Å; T277-R281 PolarHBondContact OG1-NE 3.49Å; T277-R281 PolarHBondContact OG1-NH2 3.1Å; V278-R281 CarbonylContact O-C 3.6Å; V278-R281 PolarHBondContact O-N 2.96Å; R281-L283 PolarHBondContact O-N 3.21Å; R281-S284 CarbonylContact O-C 3.56Å; R281-S284 WeakPolarHBondContact O-CA 3.41Å; R281-S284 PolarHBondContact O-N 3.14Å; R281-N285 PolarHBondContact O-N 3.41Å
282L43.6Very low40.9Very low53 Ų5396.8 Ų96.828%0.27756%0.561SS.*THydrogen-bonded Turntrans-58.5-28.9171-74.3176.9000112.6V278V278-L282 HydrophobicContact CG1-CD1 4.09Å; V278-L282 HydrophobicContact CG1-CG 4.11Å; V278-L282 WeakPolarHBondContact O-CG 3.24Å; V278-L282 PolarHBondContact O-N 3.32Å
283L41.4Very low41.5Very low108 Ų10892.9 Ų92.957%0.56554%0.538SS*.THydrogen-bonded Turntrans-90.310.5173-61.9176.3000113.7P242 R281P242-L283 HydrophobicContact CG-CD2 4.37Å; R281-L283 PolarHBondContact O-N 3.21Å
284S37Very low42.3Very low73 Ų7391.7 Ų91.751%0.5152%0.521SS..  trans-149.627.5-172.5-77.30000114.6R281 Q286R281-S284 CarbonylContact O-C 3.56Å; R281-S284 WeakPolarHBondContact O-CA 3.41Å; R281-S284 PolarHBondContact O-N 3.14Å; S284-Q286 VanDerWaalsContact C-N 3.34Å; S284-Q286 PolarHBondContact O-N 3.45Å
285N35.8Very low43.2Very low110 Ų11091 Ų9159%0.58851%0.511SS*.  trans-67.197.9152-102.65.9000108R281 S287R281-N285 PolarHBondContact O-N 3.41Å; N285-S287 PolarHBondContact O-N 3.18Å
286Q43.1Very low44.3Very low185 Ų18588.3 Ų88.386%0.86449%0.486SS*.  trans-74.968.4-178.9-67.1-174.80.300112S284S284-Q286 VanDerWaalsContact C-N 3.34Å; S284-Q286 PolarHBondContact O-N 3.45Å
287S38.7Very low45.5Very low53 Ų5389.5 Ų89.537%0.37149%0.485SS..  trans-61.4150.9150.6-65.30000109.6N285 T291N285-S287 PolarHBondContact O-N 3.18Å; S287-T291 VanDerWaalsContact CB-O 3.24Å; S287-T291 WeakPolarHBondContact CB-O 3.39Å
288P38.9Very low46.5Very low87 Ų8787.2 Ų87.257%0.56547%0.47SS*.  trans-55.2150.6161.1-21.834000110.5D290 T291P288-D290 PolarHBondContact O-N 3.49Å; P288-T291 PolarHBondContact O-N 2.87Å
289P46.3Very low47.3Very low131 Ų13186.4 Ų86.485%0.85146%0.463SS*.THydrogen-bonded Turntrans-61.3-16.4-17124.3-35.1000114.9
290D40.9Very low48.4Very low152 Ų15288.5 Ų88.581%0.81346%0.46SS*.THydrogen-bonded Turntrans-93.26.6177.6-51.5-71.6000113.9P288P288-D290 PolarHBondContact O-N 3.49Å
291T43.8Very low49.5Very low72 Ų7283.1 Ų83.144%0.44245%0.445SS..SBendtrans-122.8113.2-179.1-56.10000111.4S287 P288S287-T291 VanDerWaalsContact CB-O 3.24Å; S287-T291 WeakPolarHBondContact CB-O 3.39Å; P288-T291 PolarHBondContact O-N 2.87Å
292P48.8Very low50.4Low52 Ų5277.6 Ų77.634%0.33843%0.425SS..  trans-63.5147.9-177.225.9-34.5000112E296 Q297P292-E296 WeakPolarHBondContact CA-OE2 3.44Å; P292-E296 HydrophobicContact CB-CB 4.27Å; P292-E296 HydrophobicContact CB-CG 4.29Å; P292-E296 VanDerWaalsContact CB-OE2 3.23Å; P292-E296 WeakPolarHBondContact CB-OE2 3.31Å; P292-Q297 HydrophobicContact CB-CG 4.15Å; P292-Q297 HydrophobicContact CG-CG 3.82Å; P292-Q297 PolarHBondContact O-NE2 3.01Å
293S54.5Low51.2Low28 Ų2879.1 Ų79.120%0.19643%0.433CS..  trans-64.6153.7-179.8-176.80000111.5R295 E296 Q297S293-R295 PolarHBondContact O-N 3.14Å; S293-E296 PolarHBondContact N-OE2 2.92Å; S293-E296 WeakPolarHBondContact O-CA 3.49Å; S293-E296 VanDerWaalsContact O-CB 3.24Å; S293-E296 WeakPolarHBondContact O-CB 3.39Å; S293-E296 PolarHBondContact O-N 3.24Å; S293-Q297 WeakPolarHBondContact O-CG 3.45Å; S293-Q297 PolarHBondContact O-N 2.97Å
294M56.4Low51.9Low85 Ų8581.8 Ų81.842%0.41944%0.44SS..Hα-helixtrans-51-43.8174.9-72.9-66.1-66.400111.9S43 E296 Q297 V298S43-M294 WeakPolarHBondContact OG-CE 3.5Å; M294-E296 PolarHBondContact O-N 3.01Å; M294-Q297 PolarHBondContact O-N 3.41Å; M294-V298 WeakPolarHBondContact O-CB 3.28Å; M294-V298 VanDerWaalsContact O-CG2 3.29Å; M294-V298 WeakPolarHBondContact O-CG2 3.5Å; M294-V298 PolarHBondContact O-N 3.23Å
295R59.3Low52.7Low33 Ų3384.9 Ų84.913%0.12544%0.441CS..Hα-helixtrans-61.5-32.4176.9-161-178.5-168.6-129.6-5.4112.9V36 P240 L241 S293 F299V36-R295 HydrophobicContact CG1-CG 3.68Å; P240-R295 VanDerWaalsContact O-CZ 3.24Å; P240-R295 PolarHBondContact O-NH1 2.94Å; P240-R295 PolarHBondContact O-NH2 3.5Å; L241-R295 HydrophobicContact CD2-CG 4.08Å; S293-R295 PolarHBondContact O-N 3.14Å; R295-F299 WeakPolarHBondContact O-CB 3.37Å; R295-F299 PolarHBondContact O-N 3.05Å; R295-F299 VanDerWaalsContact O-N 3.1Å
296E60.8Low53Low64 Ų6485 Ų8530%0.29944%0.438SS..Hα-helixtrans-79.9-42-179.1-159.2-166.6159.600111P292 S293 M294 V298 F299 Y300P292-E296 WeakPolarHBondContact CA-OE2 3.44Å; P292-E296 HydrophobicContact CB-CB 4.27Å; P292-E296 HydrophobicContact CB-CG 4.29Å; P292-E296 VanDerWaalsContact CB-OE2 3.23Å; P292-E296 WeakPolarHBondContact CB-OE2 3.31Å; S293-E296 PolarHBondContact N-OE2 2.92Å; S293-E296 WeakPolarHBondContact O-CA 3.49Å; S293-E296 VanDerWaalsContact O-CB 3.24Å; S293-E296 WeakPolarHBondContact O-CB 3.39Å; S293-E296 PolarHBondContact O-N 3.24Å; M294-E296 PolarHBondContact O-N 3.01Å; E296-V298 VanDerWaalsContact C-N 3.33Å; E296-V298 PolarHBondContact O-N 3.48Å; E296-F299 PolarHBondContact O-N 2.84Å; E296-Y300 HydrophobicContact CG-CD2 4.13Å; E296-Y300 HydrophobicContact CG-CE2 3.57Å; E296-Y300 WeakPolarHBondContact O-CD2 3.29Å; E296-Y300 PolarHBondContact O-N 3.41Å; E296-Y300 WeakPolarHBondContact OE1-CE2 3.43Å; E296-Y300 PolarHBondContact OE1-OH 2.89Å
297Q63.3Low52.8Low85 Ų8578.2 Ų78.240%0.39742%0.418SS..Hα-helixtrans-60.8-42.8172.1-64.5176.940.900111.6P292 S293 M294 S301P292-Q297 HydrophobicContact CB-CG 4.15Å; P292-Q297 HydrophobicContact CG-CG 3.82Å; P292-Q297 PolarHBondContact O-NE2 3.01Å; S293-Q297 WeakPolarHBondContact O-CG 3.45Å; S293-Q297 PolarHBondContact O-N 2.97Å; M294-Q297 PolarHBondContact O-N 3.41Å; Q297-S301 WeakPolarHBondContact O-CB 3.42Å; Q297-S301 PolarHBondContact O-N 2.84Å; Q297-S301 VanDerWaalsContact O-N 3.08Å; Q297-S301 PolarHBondContact O-OG 3.43Å
298V61.2Low52.7Low28 Ų2883.5 Ų83.517%0.1744%0.437CS..Hα-helixtrans-58-50.1172.3160.20000111L39 M294 E296 S301 L302L39-V298 HydrophobicContact CB-CG1 3.45Å; L39-V298 VanDerWaalsContact CB-CG1 3.45Å; L39-V298 HydrophobicContact CB-CG2 4.36Å; L39-V298 HydrophobicContact CD1-CG1 3.68Å; L39-V298 HydrophobicContact CG-CG1 4.18Å; M294-V298 WeakPolarHBondContact O-CB 3.28Å; M294-V298 VanDerWaalsContact O-CG2 3.29Å; M294-V298 WeakPolarHBondContact O-CG2 3.5Å; M294-V298 PolarHBondContact O-N 3.23Å; E296-V298 VanDerWaalsContact C-N 3.33Å; E296-V298 PolarHBondContact O-N 3.48Å; V298-S301 WeakPolarHBondContact O-CB 3.4Å; V298-S301 PolarHBondContact O-N 2.94Å; V298-S301 VanDerWaalsContact O-N 3.16Å; V298-L302 PolarHBondContact O-N 2.81Å
299F61.7Low52.5Low30 Ų3087.3 Ų87.313%0.13245%0.449CS..Hα-helixtrans-67.5-40.9-179.1-175.3-103.3000113.6V36 P240 L241 R295 E296 S301 L302 L303V36-F299 HydrophobicContact CG2-CD2 4.12Å; P240-F299 HydrophobicContact CG-CE2 4.5Å; L241-F299 HydrophobicContact CD1-CB 3.65Å; L241-F299 HydrophobicContact CD1-CD1 3.43Å; L241-F299 VanDerWaalsContact CD1-CD1 3.43Å; L241-F299 HydrophobicContact CD1-CD2 4.23Å; L241-F299 HydrophobicContact CD1-CE1 4.06Å; L241-F299 HydrophobicContact CD1-CG 3.51Å; L241-F299 HydrophobicContact CG-CD1 4.44Å; L241-F299 HydrophobicContact CG-CG 4.3Å; R295-F299 WeakPolarHBondContact O-CB 3.37Å; R295-F299 PolarHBondContact O-N 3.05Å; R295-F299 VanDerWaalsContact O-N 3.1Å; E296-F299 PolarHBondContact O-N 2.84Å; F299-S301 PolarHBondContact O-N 3.03Å; F299-L302 WeakPolarHBondContact O-CB 3.46Å; F299-L302 PolarHBondContact O-N 2.94Å; F299-L302 VanDerWaalsContact O-N 3.12Å; F299-L303 HydrophobicContact CD1-CD1 3.9Å; F299-L303 HydrophobicContact CD1-CG 4.2Å; F299-L303 HydrophobicContact CE1-CD1 3.46Å; F299-L303 VanDerWaalsContact CE1-CD1 3.46Å; F299-L303 HydrophobicContact CE1-CD2 4.33Å; F299-L303 HydrophobicContact CE1-CG 3.85Å; F299-L303 HydrophobicContact CZ-CD1 4.11Å; F299-L303 HydrophobicContact CZ-CD2 4.15Å; F299-L303 HydrophobicContact CZ-CG 4.09Å; F299-L303 PolarHBondContact O-N 3.17Å
300Y61.8Low51.9Low120 Ų12089.4 Ų89.447%0.47145%0.448SS..Hα-helixtrans-63.4-27.4172.3-71.3-49.7000112.7E296 L303 K304E296-Y300 HydrophobicContact CG-CD2 4.13Å; E296-Y300 HydrophobicContact CG-CE2 3.57Å; E296-Y300 WeakPolarHBondContact O-CD2 3.29Å; E296-Y300 PolarHBondContact O-N 3.41Å; E296-Y300 WeakPolarHBondContact OE1-CE2 3.43Å; E296-Y300 PolarHBondContact OE1-OH 2.89Å; Y300-L303 HydrophobicContact CD1-CD1 4.48Å; Y300-K304 WeakPolarHBondContact O-CB 3.29Å; Y300-K304 VanDerWaalsContact O-CG 3.26Å; Y300-K304 WeakPolarHBondContact O-CG 3.42Å; Y300-K304 PolarHBondContact O-N 2.91Å
301S59.2Low51.4Low67 Ų6789 Ų8947%0.46945%0.446SS..Hα-helixtrans-73.7-34.3173.9-56.30000111.8Q297 V298 F299 R305Q297-S301 WeakPolarHBondContact O-CB 3.42Å; Q297-S301 PolarHBondContact O-N 2.84Å; Q297-S301 VanDerWaalsContact O-N 3.08Å; Q297-S301 PolarHBondContact O-OG 3.43Å; V298-S301 WeakPolarHBondContact O-CB 3.4Å; V298-S301 PolarHBondContact O-N 2.94Å; V298-S301 VanDerWaalsContact O-N 3.16Å; F299-S301 PolarHBondContact O-N 3.03Å; S301-R305 PolarHBondContact O-N 2.92Å
302L61.3Low50.8Low13 Ų1389.1 Ų89.17%0.06846%0.46CS..Hα-helixtrans-68.1-50172.717862.9000112Q35 V298 F299 K304 R305 Q306Q35-L302 HydrophobicContact CG-CD2 4.42Å; V298-L302 PolarHBondContact O-N 2.81Å; F299-L302 WeakPolarHBondContact O-CB 3.46Å; F299-L302 PolarHBondContact O-N 2.94Å; F299-L302 VanDerWaalsContact O-N 3.12Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 2.94Å; L302-R305 WeakPolarHBondContact O-CB 3.41Å; L302-R305 PolarHBondContact O-N 3.16Å; L302-Q306 PolarHBondContact O-N 3.04Å
303L60.8Low49.9Very low85 Ų8592.4 Ų92.445%0.44548%0.48SS..Hα-helixtrans-57.1-40.5178.1-75.3-179.5000112.4F299 Y300 R305 Q306 G307F299-L303 HydrophobicContact CD1-CD1 3.9Å; F299-L303 HydrophobicContact CD1-CG 4.2Å; F299-L303 HydrophobicContact CE1-CD1 3.46Å; F299-L303 VanDerWaalsContact CE1-CD1 3.46Å; F299-L303 HydrophobicContact CE1-CD2 4.33Å; F299-L303 HydrophobicContact CE1-CG 3.85Å; F299-L303 HydrophobicContact CZ-CD1 4.11Å; F299-L303 HydrophobicContact CZ-CD2 4.15Å; F299-L303 HydrophobicContact CZ-CG 4.09Å; F299-L303 PolarHBondContact O-N 3.17Å; Y300-L303 HydrophobicContact CD1-CD1 4.48Å; L303-R305 PolarHBondContact O-N 3.41Å; L303-Q306 PolarHBondContact O-N 2.88Å; L303-G307 PolarHBondContact O-N 2.74Å
304K57.5Low48.7Very low164 Ų16496.3 Ų96.371%0.71350%0.502SS*.Hα-helixtrans-61.1-42.3175.4-78.6173.5-179.9179.40112.5Y300 L302Y300-K304 WeakPolarHBondContact O-CB 3.29Å; Y300-K304 VanDerWaalsContact O-CG 3.26Å; Y300-K304 WeakPolarHBondContact O-CG 3.42Å; Y300-K304 PolarHBondContact O-N 2.91Å; L302-K304 VanDerWaalsContact C-N 3.28Å; L302-K304 PolarHBondContact O-N 2.94Å
305R52.4Low47.5Very low138 Ų138104.4 Ų104.452%0.52153%0.528SS..Hα-helixtrans-65.9-39.5177.8-171.1-172.2-61.8144.1-1.2111.9S301 L302 L303 E308S301-R305 PolarHBondContact O-N 2.92Å; L302-R305 WeakPolarHBondContact O-CB 3.41Å; L302-R305 PolarHBondContact O-N 3.16Å; L303-R305 PolarHBondContact O-N 3.41Å; R305-E308 WeakPolarHBondContact O-CB 3.37Å; R305-E308 PolarHBondContact O-N 2.85Å
306Q41.5Very low45.9Very low112 Ų112107.4 Ų107.452%0.52356%0.555SS.*Hα-helixtrans-75.5-36.4-176.5-160.7160.423.500112.5L302 L303 E308 M309L302-Q306 PolarHBondContact O-N 3.04Å; L303-Q306 PolarHBondContact O-N 2.88Å; Q306-E308 PolarHBondContact O-N 2.92Å; Q306-E308 VanDerWaalsContact O-N 3.16Å; Q306-M309 PolarHBondContact O-N 3.31Å
307G39.4Very low44.1Very low44 Ų44112 Ų11245%0.45458%0.581SS.*THydrogen-bonded Turntrans-65.4-12.4173.600000115L303L303-G307 PolarHBondContact O-N 2.74Å
308E38Very low42.3Very low164 Ų164113 Ų11377%0.76660%0.598SS**THydrogen-bonded Turntrans-81.8-16.7177.7-143.4164.2-154.600112.6R305 Q306R305-E308 WeakPolarHBondContact O-CB 3.37Å; R305-E308 PolarHBondContact O-N 2.85Å; Q306-E308 PolarHBondContact O-N 2.92Å; Q306-E308 VanDerWaalsContact O-N 3.16Å
309M34.5Very low40.6Very low166 Ų166117.1 Ų117.182%0.81863%0.628SS**THydrogen-bonded Turntrans-92-17.9-176-60.3-175.376.500114.4Q306Q306-M309 PolarHBondContact O-N 3.31Å
310E32.6Very low38.9Very low176 Ų176125 Ų12582%0.82267%0.665SS**THydrogen-bonded Turntrans-103.1-26.7-172.1-161.3171.7172.300113.8G312E310-G312 VanDerWaalsContact C-N 3.32Å; E310-G312 PolarHBondContact O-N 3.13Å; E310-G312 VanDerWaalsContact O-N 3.07Å
311N30.1Very low37.5Very low144 Ų144124.4 Ų124.477%0.7768%0.678SS**  trans-88.763.2179.7-81.3-60.7000112.9T313N311-T313 PolarHBondContact O-N 3.32Å
312G31.5Very low36.2Very low73 Ų73127 Ų12775%0.75370%0.697SS**  trans-70.642.6-177.400000116.6E310E310-G312 VanDerWaalsContact C-N 3.32Å; E310-G312 PolarHBondContact O-N 3.13Å; E310-G312 VanDerWaalsContact O-N 3.07Å
313T29.8Very low35Very low121 Ų121134.2 Ų134.274%0.74274%0.735SS**  trans-145104.8166.2-20.20000113.8N311N311-T313 PolarHBondContact O-N 3.32Å
314V29.8Very low33.5Very low111 Ų111137.3 Ų137.367%0.67375%0.752SS**  trans38.2132.3130.1-159.90000115.8
315W31.2Very low32.4Very low254 Ų254133.9 Ų133.996%0.96275%0.749SS**  -144.9136.767.1-88.251.6000113.7
316S25.8Very low31.4Very low97 Ų97133.3 Ų133.368%0.67877%0.766SS**  trans-73.9151-179.9-410000113
317N23Very low31.2Very low161 Ų161133.5 Ų133.586%0.86178%0.78SS**  -166.3142.397.6-110.710.1000112.9
318S24.5Very low31.6Very low106 Ų106137.2 Ų137.274%0.74180%0.796SS**  trans-110.2144.5176.2-58.20000111.1
319S27.2Very low31.3Very low114 Ų114133.3 Ų133.380%0.79779%0.792SS**  trans74.3164.2145-57.20000121.4
320E24.9Very low31.3Very low195 Ų195133.8 Ų133.891%0.91180%0.796SS**  trans94.1142.6157.4-49.1-144.8111.500118.9
321S33.4Very low31.4Very low108 Ų108129.3 Ų129.376%0.75579%0.79SS**  trans-135.5160.4-156.652.20000111.4
322S31.6Very low31.5Very low122 Ų122131.4 Ų131.485%0.85380%0.795SS**  trans-155140.1161.7-50.70000111.6
323D36.2Very low31.4Very low163 Ų163136.9 Ų136.987%0.87280%0.8SS**  trans-94167.7175.5-56.9-81.7000112.8
324D29.6Very low31.3Very low150 Ų150137.3 Ų137.380%0.80280%0.803SS**  trans-146.3116.2137.1-164.618.2000114
325S33.9Very low31.5Very low92 Ų92139.2 Ų139.264%0.64380%0.804SS**  trans26.8119.3150.7-49.20000122.2
326S31.3Very low31.3Very low126 Ų126136.7 Ų136.788%0.88180%0.795SS**  178.9146.498-770000114.3
327S36.6Very low31.3Very low117 Ų117138.6 Ų138.682%0.81880%0.797SS**  trans-98.6166.9179.4-117.50000112.1
328P47.3Very low31.6Very low121 Ų121137.3 Ų137.379%0.78680%0.795SS**  cis-150.8172.743.443.2-22.7000120.5
329A32.9Very low31.6Very low83 Ų83136.1 Ų136.169%0.68679%0.791SS**  trans86.7102.5144.100000123
330L34.2Very low31.7Very low175 Ų175135.5 Ų135.592%0.91679%0.787SS**  trans80.7131.1134.5-68.4174.8000123.8
331A34.3Very low31.7Very low83 Ų83133.3 Ų133.369%0.68678%0.782SS**  trans84.579.1144.700000121.4
332H32.1Very low31.3Very low188 Ų188135.2 Ų135.287%0.8778%0.782SS**  trans58.795.7139.3-64-75.2000121.6
333H29Very low31.1Very low187 Ų187135.8 Ų135.887%0.86678%0.775SS**  trans57.1104.4137.3-147.5-37.3000119.4
334T29.4Very low30.6Very low130 Ų130136.2 Ų136.280%0.79877%0.772SS**  trans-89.7164.6173.7460000114.2
335Q32.8Very low30.4Very low152 Ų152133.9 Ų133.971%0.7177%0.773SS**  trans-81.4-170.8172-51.2159.8-23.600112.3
336R26.6Very low30Very low200 Ų200134.2 Ų134.276%0.75578%0.782SS**  trans111.4103.2138.5-153.1165.8-66-123.8-11.2113.8
337L27.4Very low30.3Very low138 Ų138134.5 Ų134.572%0.72378%0.781SS**  75.812866.4-71.7168.8000115.3
338T27.5Very low29.8Very low133 Ų133135.2 Ų135.282%0.81678%0.78SS**  trans66.9147.2146.853.80000120.7
339A25.8Very low29.1Very low81 Ų81135.7 Ų135.767%0.66978%0.781SS**  cis-171.2144.6-15.300000114.3
340S28.1Very low28.9Very low102 Ų102138.2 Ų138.271%0.71378%0.779SS**  trans64.4156.9137.7-57.10000124.3
341N26.1Very low28.8Very low149 Ų149137.5 Ų137.580%0.79778%0.775SS**  trans91138.6164.8-55-30.2000116.9
342L25.1Very low28.6Very low147 Ų147139.2 Ų139.277%0.7778%0.782SS**  cis-169.7167.6-16.1-163.871.1000109.9
343L26Very low28.5Very low134 Ų134134.8 Ų134.870%0.70278%0.778SS**  trans96.7106.1156.2-55.4174000122.7
344Q26.9Very low28.6Very low173 Ų173129.3 Ų129.381%0.80877%0.765SS**  53.8104.1122.9-65.7-179.6-51.300125.3
345A24.6Very low28.7Very low100 Ų100129.1 Ų129.183%0.82677%0.766SS**  84.9145.7108.800000125.5
346A25.3Very low28.6Very low100 Ų100130.4 Ų130.483%0.82677%0.772SS**  trans81.9156.7161.900000119
347P38.2Very low28.7Very low131 Ų131130.9 Ų130.985%0.85178%0.779SS**  cis-130.1-168.2-10.940.2-21.9000115.1
348T26.6Very low28.6Very low133 Ų133129.9 Ų129.982%0.81678%0.784SS**  trans-95.2148.5-175.8-500000114.5
349T32.8Very low28.6Very low131 Ų131129.5 Ų129.580%0.80479%0.786SS**  trans-71.7151.2173.1-39.10000113.3
350Q27.7Very low28.6Very low135 Ų135132.2 Ų132.263%0.63179%0.794SS**  trans-130142.8170.9-61.2-172.69700110
351L32.8Very low28.6Very low160 Ų160132.8 Ų132.884%0.83880%0.798SS**PPolyproline II helixtrans-79.8145.2171.4-84.877000110.6
352S29.3Very low28.8Very low120 Ų120132.2 Ų132.284%0.83980%0.801SS**PPolyproline II helixtrans-99.4130.6-179.5-176.70000111.1
353A30.7Very low29.7Very low94 Ų94130.4 Ų130.478%0.77780%0.798SS**PPolyproline II helixtrans-90.4124.6173.200000111
354A31.8Very low29.7Very low72 Ų72129 Ų12960%0.59580%0.799SS**PPolyproline II helixtrans-93.3120.2179.300000112.2H356A354-H356 PolarHBondContact O-N 3.47Å
355P31.5Very low29.7Very low127 Ų127128.5 Ų128.583%0.82580%0.801SS**  trans-91.290.4-179.634.3-33000112K357P355-K357 PolarHBondContact O-N 3.07Å
356H29.1Very low29.8Very low179 Ų179129.3 Ų129.383%0.82980%0.801SS**  trans-73124.6175.6-69.7-91.2000112.1A354A354-H356 PolarHBondContact O-N 3.47Å
357K29.6Very low29.9Very low209 Ų209129 Ų12991%0.90979%0.792SS**  trans-120.2128162.8-75.6-174.7177.5178.70109.1P355P355-K357 PolarHBondContact O-N 3.07Å
358S25.5Very low29.4Very low117 Ų117129.5 Ų129.582%0.81879%0.788SS**  trans-82.2146.117750.30000112.1
359S26.3Very low29.5Very low125 Ų125130.8 Ų130.887%0.87479%0.785SS**  trans-162.8128.4160.6-78.60000108.9
360V27.8Very low29.4Very low138 Ų138131.7 Ų131.784%0.83678%0.78SS**  trans-108.2131.8-179.3171.70000109.4
361S27.2Very low29.5Very low114 Ų114133.4 Ų133.480%0.79779%0.788SS**  trans178.2143139.6-79.20000112
362T29.9Very low29.4Very low137 Ų137131.9 Ų131.984%0.8479%0.785SS**  trans-128-172.8168.362.50000107.5
363P44.3Very low29.5Very low109 Ų109134.5 Ų134.571%0.70878%0.784SS**  cis-130.1178.2-12.241-26.5000113.7
364S25.9Very low29.6Very low104 Ų104137 Ų13773%0.72779%0.79SS**  166.3123.3126.1-75.70000116.4
365L27.5Very low29.6Very low163 Ų163143 Ų14385%0.85381%0.806SS**  trans56.2105137.2-55.5178000123.5
366S25.6Very low29.4Very low117 Ų117140.8 Ų140.882%0.81881%0.806SS**  76.2143.3115.2-155.10000124
367S27.7Very low29.4Very low94 Ų94138.7 Ų138.766%0.65781%0.805SS**  trans89.992.3150.9-167.20000121.6
368N28Very low29.3Very low142 Ų142135.4 Ų135.476%0.75980%0.798SS**  46.8141.1125.5-63.84.5000124.5
369Q29Very low29.5Very low160 Ų160135.7 Ų135.775%0.74879%0.794SS**  trans94.1110.1141.5-93.1-179.6-6400121.9
370E30.7Very low29.8Very low149 Ų149138.5 Ų138.570%0.69679%0.791SS**  64.7125.8129.8-76.8174.4134.100123.4
371E30.1Very low30.5Very low172 Ų172137.9 Ų137.980%0.80479%0.789SS**  trans98.5130.8132.1-87.7-164.2163.900123.6
372V29.8Very low30.6Very low127 Ų127140.3 Ų140.377%0.7779%0.788SS**  trans86.2131145.11700000120.3
373E30.8Very low31.7Very low175 Ų175138.1 Ų138.182%0.81878%0.777SS**  trans-80.1159.7177.1-49.1161.3118.400112
374T32.6Very low30.8Very low148 Ų148141.8 Ų141.891%0.90878%0.784SS**  -171.7158123.914.10000112.9
375E31.8Very low30.8Very low198 Ų198141.3 Ų141.393%0.92579%0.787SS**  trans-75.9159.3178.7-56.3177.9110.800113.1
376G28.5Very low31.1Very low80 Ų80140 Ų14083%0.82579%0.785SS**  trans-168.271.9179.500000115
377V28.6Very low32.2Very low135 Ų135139.4 Ų139.482%0.81878%0.779SS**  trans-84.8127172.21750000109.7
378D27.7Very low32.2Very low140 Ų140142.2 Ų142.275%0.74979%0.786SS**  -179.6151.1109-129.9-15000117.2
379V29Very low32.3Very low122 Ų122139 Ų13974%0.73979%0.787SS**  trans37.4132.4143.11580000125.1
380F34.3Very low32.3Very low185 Ų185138.4 Ų138.481%0.81178%0.784SS**  trans-39.3153.7157.5-89.9-90.6000116.6
381P40.5Very low32.3Very low124 Ų124138.5 Ų138.581%0.80579%0.788SS**  -157.4172.176.943.1-22.5000119.8
382Q30.1Very low32.4Very low165 Ų165139.9 Ų139.977%0.77179%0.786SS**  trans-95178.1159.8-81.9-101.410.400109.7
383P53.1Low32.5Very low92 Ų92139 Ų13960%0.59778%0.781SS**  cis-137.1-162.33.643.6-24.6000115.4
384E26.1Very low32.5Very low185 Ų185135.4 Ų135.486%0.86478%0.775SS**  trans71.3144.3155.2-74.6178.4176.600118.9
385A25.8Very low32.4Very low95 Ų95134.3 Ų134.379%0.78577%0.772SS**  cis-151.317612.200000113.8
386V32.4Very low32.3Very low136 Ų136129.8 Ų129.882%0.82476%0.763SS**  trans-114.1156.3175.2-145.50000111
387P48.9Very low32.4Very low104 Ų104132.7 Ų132.768%0.67576%0.759SS**  -150163.399.839.9-23.1000113.7
388N28Very low32.4Very low152 Ų152132.2 Ų132.281%0.81376%0.76SS**  cis-149.3155.733.9-65.2-87.1000108.3
389G29.7Very low32.4Very low76 Ų76129.2 Ų129.278%0.78476%0.763SS**  10113561.600000110.7
390H30.6Very low32.4Very low146 Ų146128.4 Ų128.468%0.67677%0.769SS**  cis-162176.56.2-168.471.3000112.6
391L28.9Very low32.3Very low151 Ų151124.5 Ų124.579%0.79177%0.771SS**  trans87.9114.2177.5-54.6168.6000115.3
392R34.3Very low31.7Very low202 Ų202124.4 Ų124.476%0.76276%0.764SS**  cis81137.923.6-63.9-162.2156.7-156.4-5115.7
393T30.6Very low31.7Very low109 Ų109126.5 Ų126.567%0.66976%0.764SS**  cis-169.9165.22.420.60000108.8
394S31.8Very low30.6Very low98 Ų98126.5 Ų126.569%0.68577%0.772SS**  cis176.9169.4-23.6-86.30000109.7
395C30.2Very low30.7Very low125 Ų125122.8 Ų122.885%0.84577%0.766SS**  trans73155.3165.2-64.40000117.6
396S28.5Very low31Very low104 Ų104123.6 Ų123.673%0.72776%0.761SS**  cis-154.3162.3-6.7-100.70000107.6
397D31.3Very low30.9Very low140 Ų140125.6 Ų125.675%0.74976%0.762SS**  cis106.4132.621.9-164.122.4000114.9
398C29.7Very low30.1Very low125 Ų125125 Ų12585%0.84576%0.76SS**  trans59.2149.5171.284.50000122.5
399G25.9Very low30.4Very low78 Ų78125.7 Ų125.780%0.80476%0.758SS**  trans161134.8169.500000114
400A29.9Very low30.5Very low104 Ų104128.4 Ų128.486%0.8676%0.755SS**  trans-155.5155.9-177.500000115.3
401A31.3Very low30.5Very low103 Ų103127.6 Ų127.685%0.85176%0.755SS**  trans81.1129.9155.300000123.2
402D29.5Very low30.6Very low123 Ų123127.1 Ų127.166%0.65875%0.752SS**  trans88.3129.4140.1-143.926.7000124.7
403R30.4Very low30.4Very low209 Ų209122.7 Ų122.779%0.78975%0.752SS**  trans65.1145.1147.8-98.3174-177.394.9-0.1126.5
404A29.1Very low30.6Very low91 Ų91126.4 Ų126.475%0.75276%0.761SS**  trans74129.4162.200000117.5
405S28.1Very low30.4Very low107 Ų107126.7 Ų126.775%0.74877%0.77SS**  78129.454-153.40000111.8
406V32.1Very low30.8Very low112 Ų112126.9 Ų126.968%0.67977%0.772SS**  cis-154.5160.818.9-132.50000111.6
407Q30.6Very low30.9Very low178 Ų178126.9 Ų126.983%0.83278%0.778SS**  trans64.9156.5155.3-69.4167.2-16.300117.5
408S32.8Very low31.5Very low91 Ų91129.3 Ų129.364%0.63679%0.785SS**  cis-139.6172.96.8-52.80000113
409E32.5Very low31.7Very low167 Ų167131.2 Ų131.278%0.7879%0.786SS**  trans15.4145.1131-62.1148.2170.400119.2
410D32Very low32.1Very low134 Ų134133.1 Ų133.172%0.71779%0.787SS**  cis-164.6161.416.4-128.4-0.4000115.2
411L31.5Very low31.9Very low129 Ų129131.4 Ų131.468%0.67578%0.779SS**  trans42.3128.6144-63.6173.6000125.6
412I30.3Very low31.7Very low141 Ų141131.8 Ų131.872%0.72378%0.775SS**  87.4115.7128-69.8171.2000122.2
413S29.6Very low31.7Very low109 Ų109130.7 Ų130.776%0.76278%0.775SS**  trans71.5152.2140.9-71.70000125.4
414E35.2Very low32.7Very low187 Ų187126 Ų12687%0.87477%0.772SS**  trans-63.7150.1176.2-50.8155.110800114.5
415A29Very low32.8Very low104 Ų104127.7 Ų127.786%0.8677%0.768SS**  trans-164.8142132.500000110.9
416S38.1Very low32.9Very low129 Ų129130.3 Ų130.390%0.90277%0.769SS**  trans-88.7141.1173.3-52.80000111.9
417A30.9Very low32.9Very low103 Ų103132.5 Ų132.585%0.85177%0.77SS**  trans-157.8133.8154.100000110.9
418E44.1Very low32.9Very low192 Ų192128.8 Ų128.890%0.89776%0.763SS**  trans-87.1161.4161.4-61-169.215000110.5
419L32.3Very low32.7Very low165 Ų165128.8 Ų128.886%0.86476%0.76SS**  trans-174118.7145-93.2168.1000104.9
420S35.3Very low32.7Very low118 Ų118129.1 Ų129.183%0.82576%0.761SS**  87.6137.261.1-171.80000113.9
421G24.9Very low32.4Very low67 Ų67128.4 Ų128.469%0.69176%0.762SS**  trans162.484.8-176.400000110.6
422C27.3Very low32.3Very low112 Ų112131.2 Ų131.276%0.75777%0.771SS**  73.913564.9-169.80000112
423C29.7Very low32.2Very low99 Ų99130.6 Ų130.667%0.66977%0.774SS**  cis-173.7-168.71.5-85.60000108
424P51Low32.2Very low110 Ų110132.3 Ų132.371%0.71477%0.774SS**  cis-114.9-125.5-3223.41000107.4
425D31.8Very low31.9Very low127 Ų127132.1 Ų132.168%0.67977%0.773SS**  cis-157.7176-14.6-125.5-18.5000106
426E30.7Very low31.9Very low163 Ų163134.2 Ų134.276%0.76277%0.765SS**  cis-142.5-147.412.2-148-145.188.900112.5
427F31.4Very low31.9Very low158 Ų158133.7 Ų133.769%0.69376%0.759SS**  trans-101.5176.3-167.8-90.8-113.6000113.4
428S30.5Very low31.7Very low100 Ų100134 Ų13470%0.69975%0.75SS**  cis-153.1163.923-154.40000117.1
429T28.8Very low31Very low91 Ų91129.1 Ų129.156%0.55874%0.743SS**  trans-47.6173.5168.463.20000116.1
430Q31.8Very low30.9Very low174 Ų174128.8 Ų128.881%0.81374%0.737SS**  cis-161177.931.6-147.8153.9109.800115
431T27.2Very low30.6Very low118 Ų118130.4 Ų130.472%0.72473%0.731SS**  trans-81.5157.6-173.949.70000115.8
432E28.5Very low30.8Very low189 Ų189132.6 Ų132.688%0.88373%0.731SS**  -169.5177.6112.2-112.8-176.3160.600113.8
433T27.8Very low30.9Very low127 Ų127136.2 Ų136.278%0.77974%0.737SS**  trans-132.5159-173.547.80000112.6
434L30.2Very low30.8Very low146 Ų146136.5 Ų136.576%0.76475%0.747SS**  trans131.3143.6132.3-150.277.9000116.2
435E28.4Very low29.8Very low182 Ų182140.6 Ų140.685%0.8576%0.756SS**  trans80.7149.4152.8-100.2164.8-137.700122.8
436E29.5Very low29.7Very low148 Ų148139.6 Ų139.669%0.69277%0.765SS**  trans-111.8165.8-175-160.8-155.3-110.900108.9T438E436-T438 PolarHBondContact OE2-N 2.89Å; E436-T438 PolarHBondContact OE2-OG1 3.42Å; E436-T438 VanDerWaalsContact OE2-OG1 3.08Å
437P38.8Very low29.6Very low119 Ų119137 Ų13777%0.77377%0.772SS**  -150.5127.7108.435.1-17.1000116.9
438T26Very low29.4Very low109 Ų109133 Ų13367%0.66978%0.776SS**  21.7129.6129.6-20000122.5E436E436-T438 PolarHBondContact OE2-N 2.89Å; E436-T438 PolarHBondContact OE2-OG1 3.42Å; E436-T438 VanDerWaalsContact OE2-OG1 3.08Å
439A30.2Very low29.2Very low89 Ų89137.9 Ų137.974%0.73678%0.784SS**  trans71.5153.5144.700000119.4
440E28.6Very low29.3Very low159 Ų159141.1 Ų141.174%0.74380%0.797SS**  cis-160.8176.3-0-141.7179.6-139.300112.6
441Q29.3Very low29.2Very low152 Ų152141.5 Ų141.571%0.7180%0.799SS**  trans85.3113.1150.9-73.7169.741.100124.2
442T29.1Very low29.3Very low113 Ų113143.6 Ų143.669%0.69380%0.801SS**  trans70112.1131.459.10000124.5
443E29.3Very low29.2Very low187 Ų187140.5 Ų140.587%0.87480%0.795SS**  31.6128.5120.1-57.4-179.3134.200122.3
444A29.1Very low29.3Very low105 Ų105143.6 Ų143.687%0.86880%0.801SS**  -177.8155.3115.500000113
445E29.3Very low29.5Very low196 Ų196145.6 Ų145.692%0.91681%0.806SS**  trans-86.8154.6176.1-55.3172.896.800113.7
446A28.5Very low29.7Very low106 Ų106142.1 Ų142.188%0.87680%0.802SS**  trans-174.8142.413300000113.2
447A28.7Very low29.8Very low110 Ų110144.4 Ų144.491%0.90981%0.809SS**  trans-80.2159.3-177.700000115.1
448G27.6Very low29.5Very low74 Ų74146.7 Ų146.776%0.76381%0.814SS**  trans-171.760.5-179.300000122
449K27.2Very low29.7Very low202 Ų202147.8 Ų147.888%0.87882%0.821SS**  trans76.1148.1144.8-154.8-179.5-177.6-172.70120.4
450L29.9Very low30.6Very low158 Ų158149 Ų14983%0.82782%0.821SS**  trans-83.8157.2175.6-52.188.8000113.3
451Q29.8Very low30.9Very low182 Ų182149 Ų14985%0.8583%0.826SS**  trans-155.9173.9133.7-126.2175.2-30.100114.3
452E30.1Very low31.1Very low162 Ų162145.5 Ų145.576%0.75782%0.823SS**  trans-86.6152.3-158.3-72.3163.184.800117.1
453T25.7Very low31.6Very low125 Ų125146.7 Ų146.777%0.76783%0.833SS**  trans37.4119.1130.6-45.90000120
454Q30.2Very low31.9Very low192 Ų192142.3 Ų142.390%0.89782%0.819SS**  trans-146131.7139.6-139.3169.739.600113.5
455E33.8Very low32.6Very low187 Ų187140.8 Ų140.887%0.87481%0.807SS**  trans-97.7132.2-179.7-177-166.4151.200110.1
456S33Very low33.4Very low109 Ų109137.6 Ų137.676%0.76280%0.803SS**  trans-146.768.1-172.252.60000116.3
457K30.8Very low34.1Very low196 Ų196139.8 Ų139.885%0.85279%0.793SS**  46.997.8128.4-164.1176.9-174.3176.70119.8
458L32.7Very low35Very low167 Ų167137.6 Ų137.687%0.87477%0.77SS**  trans9.7129148.1-75.2159.6000121.1
459T31.5Very low36.2Very low133 Ų133138.8 Ų138.882%0.81676%0.762SS**  trans-135.7145.7143.249.70000109.9
460P48.1Very low37.8Very low113 Ų113133.8 Ų133.873%0.73475%0.753SS**  trans-99.1-177.6-169.640.1-38000115.6
461D35.3Very low39.5Very low159 Ų159129 Ų12985%0.8574%0.736SS**  trans76.180.8161.3-59.5-22.1000119.9
462A32.7Very low41.4Very low79 Ų79122.5 Ų122.565%0.65371%0.711SS**  trans-143.9141138.400000109.4T464A462-T464 PolarHBondContact O-N 2.97Å
463P40.8Very low43.4Very low138 Ų138117.4 Ų117.490%0.89669%0.686SS**  trans-81.478.8-178.233.3-35000111.1
464T35.9Very low45.9Very low95 Ų95114.5 Ų114.558%0.58367%0.668SS**  trans-65.2138169.7-43.10000109.7A462 F467A462-T464 PolarHBondContact O-N 2.97Å; T464-F467 HydrophobicContact CG2-CD2 4.37Å; T464-F467 HydrophobicContact CG2-CE2 3.55Å; T464-F467 HydrophobicContact CG2-CZ 3.63Å
465A43.6Very low48.3Very low74 Ų74111.4 Ų111.461%0.61265%0.654SS**  trans-55.6148.1169.500000110.1F467A465-F467 PolarHBondContact O-N 3.3Å
466P45Very low50.6Low129 Ų129105.3 Ų105.384%0.83863%0.625SS**  trans-61.2112179.225.6-33.5000109.4
467F44.1Very low52.8Low151 Ų151101.3 Ų101.366%0.66260%0.596SS**PPolyproline II helixtrans-58.1139.3170-65.7-83.7000109T464 A465 T469T464-F467 HydrophobicContact CG2-CD2 4.37Å; T464-F467 HydrophobicContact CG2-CE2 3.55Å; T464-F467 HydrophobicContact CG2-CZ 3.63Å; A465-F467 PolarHBondContact O-N 3.3Å; F467-T469 PolarHBondContact O-N 2.89Å
468P46.8Very low55.3Low65 Ų6597.2 Ų97.242%0.42258%0.58SS.*PPolyproline II helixtrans-58.9116.3164.826.3-32000107.5
469T52.8Low57.7Low99 Ų9992.3 Ų92.361%0.60756%0.557SS**PPolyproline II helixtrans-62.8150.5169.943.50000108.3F467 A471 S472F467-T469 PolarHBondContact O-N 2.89Å; T469-A471 PolarHBondContact O-N 2.91Å; T469-S472 PolarHBondContact O-N 3.06Å
470S61.4Low60Low97 Ų9786 Ų8668%0.67852%0.518SS*.Hα-helixtrans-53.8-27.4-178.554.10000113.2F473 T474S470-F473 PolarHBondContact O-N 3.09Å; S470-T474 WeakPolarHBondContact O-CG2 3.26Å; S470-T474 PolarHBondContact O-N 2.9Å; S470-T474 PolarHBondContact O-OG1 3.36Å
471A65.2Low61.7Low57 Ų5785 Ų8547%0.47151%0.507SS..Hα-helixtrans-61.9-34.4174.100000114.7T469 T474 Q475T469-A471 PolarHBondContact O-N 2.91Å; A471-T474 WeakPolarHBondContact CA-OG1 3.49Å; A471-T474 PolarHBondContact O-OG1 2.99Å; A471-T474 VanDerWaalsContact O-OG1 3.13Å; A471-Q475 VanDerWaalsContact O-CB 3.31Å; A471-Q475 WeakPolarHBondContact O-CB 3.43Å; A471-Q475 PolarHBondContact O-N 2.88Å; A471-Q475 VanDerWaalsContact O-N 3.07Å
472S69.4Low63.8Low45 Ų4582.6 Ų82.632%0.31549%0.49SS..Hα-helixtrans-67.9-47.8175.3-162.20000109.8T469 T474 Q475 E476T469-S472 PolarHBondContact O-N 3.06Å; S472-T474 PolarHBondContact O-N 2.88Å; S472-Q475 PolarHBondContact O-N 3.47Å; S472-E476 WeakPolarHBondContact O-CB 3.43Å; S472-E476 WeakPolarHBondContact O-CG 3.4Å; S472-E476 PolarHBondContact O-N 2.74Å; S472-E476 PolarHBondContact OG-OE1 2.99Å
473F72.2Confident65.9Low56 Ų5679.7 Ų79.725%0.24647%0.465CS..Hα-helixtrans-63.4-41.4178.1169.2-109.9000112.8F108 A111 S470 E476 V477F108-F473 AromaticContact CD1-CE2 3.88Å; F108-F473 HydrophobicContact CD1-CE2 3.88Å; F108-F473 AromaticContact CD1-CZ 3.84Å; F108-F473 HydrophobicContact CD1-CZ 3.84Å; F108-F473 HydrophobicContact CE1-CE2 4.21Å; F108-F473 AromaticContact CE1-CZ 3.83Å; F108-F473 HydrophobicContact CE1-CZ 3.83Å; A111-F473 HydrophobicContact CB-CD2 3.69Å; A111-F473 HydrophobicContact CB-CE2 3.47Å; A111-F473 VanDerWaalsContact CB-CE2 3.47Å; A111-F473 HydrophobicContact CB-CG 4.33Å; A111-F473 HydrophobicContact CB-CZ 3.93Å; S470-F473 PolarHBondContact O-N 3.09Å; F473-E476 PolarHBondContact O-N 3.37Å; F473-V477 HydrophobicContact CD2-CG2 3.98Å; F473-V477 HydrophobicContact CE1-CG2 4.4Å; F473-V477 HydrophobicContact CE2-CG2 3.39Å; F473-V477 HydrophobicContact CZ-CG2 3.65Å; F473-V477 WeakPolarHBondContact O-CG2 3.48Å; F473-V477 PolarHBondContact O-N 2.87Å
474T78.2Confident67.9Low63 Ų6374.6 Ų74.639%0.38743%0.429SS..Hα-helixtrans-64.2-42.8174.652.80000111.1S470 A471 S472 E476 V477 E478S470-T474 WeakPolarHBondContact O-CG2 3.26Å; S470-T474 PolarHBondContact O-N 2.9Å; S470-T474 PolarHBondContact O-OG1 3.36Å; A471-T474 WeakPolarHBondContact CA-OG1 3.49Å; A471-T474 PolarHBondContact O-OG1 2.99Å; A471-T474 VanDerWaalsContact O-OG1 3.13Å; S472-T474 PolarHBondContact O-N 2.88Å; T474-E476 PolarHBondContact O-N 3.38Å; T474-V477 PolarHBondContact O-N 3.43Å; T474-E478 WeakPolarHBondContact O-CB 3.42Å; T474-E478 WeakPolarHBondContact O-CG 3.32Å; T474-E478 PolarHBondContact O-N 3.05Å
475Q80.9Confident69.9Low128 Ų12873.6 Ų73.660%0.59842%0.42SS*.Hα-helixtrans-63-40.8176.8-173.6174.99.700112.4A471 S472 V477 E478 T479A471-Q475 VanDerWaalsContact O-CB 3.31Å; A471-Q475 WeakPolarHBondContact O-CB 3.43Å; A471-Q475 PolarHBondContact O-N 2.88Å; A471-Q475 VanDerWaalsContact O-N 3.07Å; S472-Q475 PolarHBondContact O-N 3.47Å; Q475-V477 VanDerWaalsContact C-N 3.33Å; Q475-V477 PolarHBondContact O-N 3.22Å; Q475-E478 PolarHBondContact O-N 2.93Å; Q475-T479 PolarHBondContact O-N 3.32Å; Q475-T479 PolarHBondContact O-OG1 3.19Å
476E82.2Confident71.6Confident58 Ų5871.8 Ų71.827%0.27140%0.398SS..Hα-helixtrans-65.1-34.8176.2-71.2157.1-139.800112.4A107 L110 S472 F473 T474 A480A107-E476 HydrophobicContact CB-CB 3.91Å; L110-E476 VanDerWaalsContact CD1-OE2 3.23Å; L110-E476 WeakPolarHBondContact CD1-OE2 3.35Å; S472-E476 WeakPolarHBondContact O-CB 3.43Å; S472-E476 WeakPolarHBondContact O-CG 3.4Å; S472-E476 PolarHBondContact O-N 2.74Å; S472-E476 PolarHBondContact OG-OE1 2.99Å; F473-E476 PolarHBondContact O-N 3.37Å; T474-E476 PolarHBondContact O-N 3.38Å; E476-A480 WeakPolarHBondContact O-CB 3.4Å; E476-A480 PolarHBondContact O-N 3.05Å
477V80.2Confident73Confident26 Ų2669.8 Ų69.816%0.15838%0.38CS..Hα-helixtrans-76.8-39.7174171.90000111.7A107 F108 F473 T474 Q475 A480 L481A107-V477 HydrophobicContact CB-CG2 3.88Å; F108-V477 HydrophobicContact CE1-CG2 4.46Å; F473-V477 HydrophobicContact CD2-CG2 3.98Å; F473-V477 HydrophobicContact CE1-CG2 4.4Å; F473-V477 HydrophobicContact CE2-CG2 3.39Å; F473-V477 HydrophobicContact CZ-CG2 3.65Å; F473-V477 WeakPolarHBondContact O-CG2 3.48Å; F473-V477 PolarHBondContact O-N 2.87Å; T474-V477 PolarHBondContact O-N 3.43Å; Q475-V477 VanDerWaalsContact C-N 3.33Å; Q475-V477 PolarHBondContact O-N 3.22Å; V477-A480 CarbonylContact O-C 3.54Å; V477-A480 WeakPolarHBondContact O-CA 3.49Å; V477-A480 WeakPolarHBondContact O-CB 3.3Å; V477-A480 PolarHBondContact O-N 3.47Å; V477-A480 VanDerWaalsContact O-N 3.1Å; V477-L481 HydrophobicContact CG1-CD1 4.1Å; V477-L481 HydrophobicContact CG1-CG 4.39Å; V477-L481 WeakPolarHBondContact O-CG 3.33Å; V477-L481 PolarHBondContact O-N 3.44Å
478E81.4Confident74.1Confident110 Ų11067.9 Ų67.951%0.51438%0.377SS..Hα-helixtrans-58.5-50.3174.4-75.3158.1-175.800109.9T474 Q475 A480 L481 E482T474-E478 WeakPolarHBondContact O-CB 3.42Å; T474-E478 WeakPolarHBondContact O-CG 3.32Å; T474-E478 PolarHBondContact O-N 3.05Å; Q475-E478 PolarHBondContact O-N 2.93Å; E478-A480 PolarHBondContact O-N 2.8Å; E478-L481 PolarHBondContact O-N 3.09Å; E478-E482 WeakPolarHBondContact O-CG 3.46Å; E478-E482 PolarHBondContact O-N 3.39Å
479T83.4Confident74.4Confident64 Ų6470.1 Ų70.139%0.39338%0.38SS..Hα-helixtrans-70.4-12.3174.9-64.10000114.8Q475 E482Q475-T479 PolarHBondContact O-N 3.32Å; Q475-T479 PolarHBondContact O-OG1 3.19Å; T479-E482 VanDerWaalsContact CA-OE2 3.27Å; T479-E482 WeakPolarHBondContact CA-OE2 3.48Å; T479-E482 WeakPolarHBondContact CB-OE2 3.47Å; T479-E482 PolarHBondContact OG1-OE2 2.98Å; T479-E482 VanDerWaalsContact OG1-OE2 3.1Å
480A80.6Confident74.5Confident0 Ų068.8 Ų68.80%038%0.375CS..Hα-helixtrans-80-42.2164.800000111.3K103 M104 E476 V477 E478 S483 F484K103-A480 HydrophobicContact CB-CB 3.72Å; M104-A480 HydrophobicContact CG-CB 3.71Å; E476-A480 WeakPolarHBondContact O-CB 3.4Å; E476-A480 PolarHBondContact O-N 3.05Å; V477-A480 CarbonylContact O-C 3.54Å; V477-A480 WeakPolarHBondContact O-CA 3.49Å; V477-A480 WeakPolarHBondContact O-CB 3.3Å; V477-A480 PolarHBondContact O-N 3.47Å; V477-A480 VanDerWaalsContact O-N 3.1Å; E478-A480 PolarHBondContact O-N 2.8Å; A480-S483 PolarHBondContact O-N 2.82Å; A480-S483 PolarHBondContact O-OG 3.15Å; A480-F484 WeakPolarHBondContact O-CD2 3.11Å
481L82.8Confident74.1Confident93 Ų9370.5 Ų70.549%0.48738%0.376SS..Hα-helixtrans-67-39177.2-68.4172.5000112.3V477 E478 S483 F484V477-L481 HydrophobicContact CG1-CD1 4.1Å; V477-L481 HydrophobicContact CG1-CG 4.39Å; V477-L481 WeakPolarHBondContact O-CG 3.33Å; V477-L481 PolarHBondContact O-N 3.44Å; E478-L481 PolarHBondContact O-N 3.09Å; L481-S483 PolarHBondContact O-N 3.26Å; L481-F484 WeakPolarHBondContact O-CA 3.18Å; L481-F484 WeakPolarHBondContact O-CB 3.25Å; L481-F484 PolarHBondContact O-N 3.34Å
482E81.1Confident73.6Confident107 Ų10771.5 Ų71.550%0.538%0.377SS..G310 helixtrans-50.4-28.8172.3-74.8171170.400112.8E478 T479 F484 D485E478-E482 WeakPolarHBondContact O-CG 3.46Å; E478-E482 PolarHBondContact O-N 3.39Å; T479-E482 VanDerWaalsContact CA-OE2 3.27Å; T479-E482 WeakPolarHBondContact CA-OE2 3.48Å; T479-E482 WeakPolarHBondContact CB-OE2 3.47Å; T479-E482 PolarHBondContact OG1-OE2 2.98Å; T479-E482 VanDerWaalsContact OG1-OE2 3.1Å; E482-F484 VanDerWaalsContact C-N 3.25Å; E482-F484 PolarHBondContact O-N 3.34Å; E482-D485 WeakPolarHBondContact CA-OD2 3.49Å; E482-D485 WeakPolarHBondContact O-CB 3.22Å; E482-D485 PolarHBondContact O-N 3.34Å
483S76.9Confident72.9Confident18 Ų1874.9 Ų74.913%0.12639%0.387CS..G310 helixtrans-75.9-10.817864.50000115.2G100 A480 L481 F486G100-S483 WeakPolarHBondContact CA-OG 3.24Å; A480-S483 PolarHBondContact O-N 2.82Å; A480-S483 PolarHBondContact O-OG 3.15Å; L481-S483 PolarHBondContact O-N 3.26Å; S483-F486 WeakPolarHBondContact O-CD1 3.21Å; S483-F486 WeakPolarHBondContact O-CE1 3.47Å
484F81.6Confident72.1Confident31 Ų3178.7 Ų78.714%0.13641%0.406CS..G310 helixtrans-97.2-3.9171.8-63.4-89.4000113.2L97 M104 A480 L481 E482 F486 L487L97-F484 HydrophobicContact CD2-CD1 3.69Å; L97-F484 HydrophobicContact CD2-CE1 3.68Å; M104-F484 HydrophobicContact CE-CE2 3.79Å; M104-F484 HydrophobicContact CE-CZ 3.72Å; M104-F484 HydrophobicContact SD-CE2 4.36Å; A480-F484 WeakPolarHBondContact O-CD2 3.11Å; L481-F484 WeakPolarHBondContact O-CA 3.18Å; L481-F484 WeakPolarHBondContact O-CB 3.25Å; L481-F484 PolarHBondContact O-N 3.34Å; E482-F484 VanDerWaalsContact C-N 3.25Å; E482-F484 PolarHBondContact O-N 3.34Å; F484-F486 PolarHBondContact O-N 3.1Å; F484-L487 HydrophobicContact CB-CD1 4.37Å; F484-L487 HydrophobicContact CD1-CD1 4.2Å; F484-L487 WeakPolarHBondContact O-CB 3.3Å; F484-L487 WeakPolarHBondContact O-CG 3.46Å; F484-L487 PolarHBondContact O-N 3Å
485D77.6Confident71Confident75 Ų7581.9 Ų81.940%0.40142%0.416SS..G310 helixtrans-55.5-25.1-174.8-74.1-14.5000114.1E482 L487 N488 F489E482-D485 WeakPolarHBondContact CA-OD2 3.49Å; E482-D485 WeakPolarHBondContact O-CB 3.22Å; E482-D485 PolarHBondContact O-N 3.34Å; D485-L487 PolarHBondContact O-N 2.89Å; D485-N488 WeakPolarHBondContact O-CB 3.44Å; D485-N488 PolarHBondContact O-N 2.85Å; D485-N488 PolarHBondContact O-ND2 3.39Å; D485-F489 VanDerWaalsContact O-CD2 3.29Å; D485-F489 WeakPolarHBondContact O-CD2 3.36Å; D485-F489 WeakPolarHBondContact O-CE2 3.15Å
486F79.8Confident69.9Low36 Ų3681.4 Ų81.416%0.15841%0.414CS..G310 helixtrans-61.3-19.4175.374.9-82000114.2I93 R96 L97 S483 F484 N488I93-F486 HydrophobicContact CB-CE2 4.44Å; I93-F486 HydrophobicContact CG1-CE2 4.24Å; I93-F486 HydrophobicContact CG2-CE2 3.99Å; I93-F486 HydrophobicContact CG2-CZ 4.37Å; R96-F486 HydrophobicContact CB-CD1 4.46Å; R96-F486 HydrophobicContact CB-CE1 3.74Å; R96-F486 HydrophobicContact CB-CZ 3.95Å; R96-F486 VanDerWaalsContact NE-CD1 3.27Å; L97-F486 HydrophobicContact CD2-CE1 4.38Å; L97-F486 HydrophobicContact CD2-CZ 3.83Å; L97-F486 HydrophobicContact CG-CZ 4.11Å; S483-F486 WeakPolarHBondContact O-CD1 3.21Å; S483-F486 WeakPolarHBondContact O-CE1 3.47Å; F484-F486 PolarHBondContact O-N 3.1Å; F486-N488 PolarHBondContact O-N 2.61Å
487L75.5Confident68.6Low87 Ų8785.3 Ų85.346%0.45543%0.432SS..G310 helixtrans-75.6-8.6173.9-61.1176.2000113L97 F484 D485L97-L487 HydrophobicContact CD2-CD1 4.08Å; F484-L487 HydrophobicContact CB-CD1 4.37Å; F484-L487 HydrophobicContact CD1-CD1 4.2Å; F484-L487 WeakPolarHBondContact O-CB 3.3Å; F484-L487 WeakPolarHBondContact O-CG 3.46Å; F484-L487 PolarHBondContact O-N 3Å; D485-L487 PolarHBondContact O-N 2.89Å
488N66.7Low67.5Low110 Ų11090.8 Ų90.859%0.58846%0.456SS*.G310 helixtrans-987.6-179.8-53.2-43.2000113.1D485 F486D485-N488 WeakPolarHBondContact O-CB 3.44Å; D485-N488 PolarHBondContact O-N 2.85Å; D485-N488 PolarHBondContact O-ND2 3.39Å; F486-N488 PolarHBondContact O-N 2.61Å
489F53Low66.5Low113 Ų11391.3 Ų91.350%0.49646%0.459SS..SBendtrans-91.7-19-178-75-106.7000113.1D485 D491 V492 E493D485-F489 VanDerWaalsContact O-CD2 3.29Å; D485-F489 WeakPolarHBondContact O-CD2 3.36Å; D485-F489 WeakPolarHBondContact O-CE2 3.15Å; F489-D491 VanDerWaalsContact C-N 3.33Å; F489-D491 PolarHBondContact O-N 3.35Å; F489-V492 PolarHBondContact O-N 2.79Å; F489-E493 PolarHBondContact O-N 2.75Å
490S55.3Low65.2Low70 Ų7094 Ų9449%0.4947%0.467SS..Hα-helixtrans-54.8-45.5179.3-53.50000112.7V492 E494S490-V492 PolarHBondContact O-N 3.06Å; S490-E494 VanDerWaalsContact O-CB 3.28Å; S490-E494 WeakPolarHBondContact O-CB 3.35Å; S490-E494 PolarHBondContact O-N 3.5Å; S490-E494 VanDerWaalsContact O-N 3.11Å
491D53.4Low64.5Low133 Ų13399.9 Ų99.971%0.71149%0.494SS*.Hα-helixtrans-63.10178.1-64.625.5000114.6F489F489-D491 VanDerWaalsContact C-N 3.33Å; F489-D491 PolarHBondContact O-N 3.35Å
492V52.6Low63.8Low79 Ų79101.2 Ų101.248%0.47950%0.502SS..Hα-helixtrans-126.2-42179.6-174.80000111.6F489 S490 E494 E495 E496F489-V492 PolarHBondContact O-N 2.79Å; S490-V492 PolarHBondContact O-N 3.06Å; V492-E494 VanDerWaalsContact C-N 3.28Å; V492-E494 PolarHBondContact O-N 2.78Å; V492-E495 PolarHBondContact O-N 3.42Å; V492-E496 PolarHBondContact O-N 3.18Å; V492-E496 VanDerWaalsContact O-N 3.08Å
493E54.9Low63.2Low115 Ų115101.5 Ų101.554%0.53751%0.507SS..Hα-helixtrans-66.1-32.3175.2-69.4176.1162.900111.1F489 E495 E496 E497F489-E493 PolarHBondContact O-N 2.75Å; E493-E495 PolarHBondContact O-N 2.9Å; E493-E496 PolarHBondContact O-N 2.69Å; E493-E497 WeakPolarHBondContact O-CB 3.48Å; E493-E497 WeakPolarHBondContact O-CG 3.36Å; E493-E497 PolarHBondContact O-N 2.76Å
494E56.1Low62.6Low136 Ų136107.1 Ų107.164%0.63653%0.531SS*.Hα-helixtrans-66.2-34.6173.7-160.8168.2-13300112.1S490 V492 E498S490-E494 VanDerWaalsContact O-CB 3.28Å; S490-E494 WeakPolarHBondContact O-CB 3.35Å; S490-E494 PolarHBondContact O-N 3.5Å; S490-E494 VanDerWaalsContact O-N 3.11Å; V492-E494 VanDerWaalsContact C-N 3.28Å; V492-E494 PolarHBondContact O-N 2.78Å; E494-E498 PolarHBondContact O-N 3.47Å; E494-E498 VanDerWaalsContact O-N 3.14Å
495E55.9Low62.1Low131 Ų131110 Ų11061%0.61255%0.548SS*.Hα-helixtrans-74.1-29.9172.9-72.1-165.7165.200112.9V492 E493 Q499V492-E495 PolarHBondContact O-N 3.42Å; E493-E495 PolarHBondContact O-N 2.9Å; E495-Q499 PolarHBondContact O-N 2.87Å; E495-Q499 PolarHBondContact O-NE2 3.11Å
496E56.8Low61.7Low118 Ų118111.5 Ų111.555%0.55155%0.553SS**Hα-helixtrans-80.3-30.3175.6-71.6-169.4178.400112.4V492 E493 Q500V492-E496 PolarHBondContact O-N 3.18Å; V492-E496 VanDerWaalsContact O-N 3.08Å; E493-E496 PolarHBondContact O-N 2.69Å; E496-Q500 WeakPolarHBondContact O-CG 3.46Å; E496-Q500 PolarHBondContact O-N 2.79Å; E496-Q500 VanDerWaalsContact O-N 3.14Å; E496-Q500 PolarHBondContact O-NE2 3.42Å
497E55Low61.2Low140 Ų140117.4 Ų117.465%0.65458%0.58SS**Hα-helixtrans-71-43.3171.6-75.6-172172.900112.1E493 Q499 Q500 Q501E493-E497 WeakPolarHBondContact O-CB 3.48Å; E493-E497 WeakPolarHBondContact O-CG 3.36Å; E493-E497 PolarHBondContact O-N 2.76Å; E497-Q499 VanDerWaalsContact C-N 3.29Å; E497-Q499 PolarHBondContact O-N 3.46Å; E497-Q500 PolarHBondContact O-N 3.08Å; E497-Q501 WeakPolarHBondContact O-CB 3.34Å; E497-Q501 PolarHBondContact O-N 3.31Å
498E57.9Low60.8Low141 Ų141118.7 Ų118.766%0.65958%0.584SS**Hα-helixtrans-58.8-39.6174-78.2-167161.700112E494 Q501 D502E494-E498 PolarHBondContact O-N 3.47Å; E494-E498 VanDerWaalsContact O-N 3.14Å; E498-Q501 PolarHBondContact O-N 3.09Å; E498-D502 PolarHBondContact O-N 3.47Å
499Q59.1Low60.9Low121 Ų121118.9 Ų118.957%0.56558%0.582SS**Hα-helixtrans-68.2-38.9176.3-87.4164.7101.300113.3E495 E497 Q501 D502 D503E495-Q499 PolarHBondContact O-N 2.87Å; E495-Q499 PolarHBondContact O-NE2 3.11Å; E497-Q499 VanDerWaalsContact C-N 3.29Å; E497-Q499 PolarHBondContact O-N 3.46Å; Q499-Q501 VanDerWaalsContact C-N 3.34Å; Q499-D502 PolarHBondContact O-N 2.95Å; Q499-D503 PolarHBondContact O-N 2.93Å
500Q57.4Low61.6Low121 Ų121117.9 Ų117.957%0.56558%0.582SS**Hα-helixtrans-68.5-34.6175.1-76.5166.6101.700111.8E496 E497 D503 E504E496-Q500 WeakPolarHBondContact O-CG 3.46Å; E496-Q500 PolarHBondContact O-N 2.79Å; E496-Q500 VanDerWaalsContact O-N 3.14Å; E496-Q500 PolarHBondContact O-NE2 3.42Å; E497-Q500 PolarHBondContact O-N 3.08Å; Q500-D503 PolarHBondContact O-N 2.96Å; Q500-E504 WeakPolarHBondContact O-CG 3.42Å; Q500-E504 PolarHBondContact O-N 3.23Å
501Q65.1Low61.9Low122 Ų122116.5 Ų116.557%0.5758%0.578SS**Hα-helixtrans-65.2-45.6174.2-165.793.7102.500111.5E497 E498 Q499 E504 D505E497-Q501 WeakPolarHBondContact O-CB 3.34Å; E497-Q501 PolarHBondContact O-N 3.31Å; E498-Q501 PolarHBondContact O-N 3.09Å; Q499-Q501 VanDerWaalsContact C-N 3.34Å; Q501-E504 PolarHBondContact O-N 3.25Å; Q501-D505 PolarHBondContact O-N 3.16Å
502D68Low62.6Low121 Ų121115 Ų11565%0.64757%0.565SS**Hα-helixtrans-62.6-40.7175.6-96.6-4.2000111.8E498 Q499 Q506E498-D502 PolarHBondContact O-N 3.47Å; Q499-D502 PolarHBondContact O-N 2.95Å; D502-Q506 VanDerWaalsContact O-CB 3.29Å; D502-Q506 WeakPolarHBondContact O-CB 3.48Å; D502-Q506 PolarHBondContact O-N 2.89Å
503D68.8Low63.1Low114 Ų114116.7 Ų116.761%0.6157%0.568SS**Hα-helixtrans-68.8-38.5176.4-85.4-20.2000112.3Q499 Q500 Q506 E507Q499-D503 PolarHBondContact O-N 2.93Å; Q500-D503 PolarHBondContact O-N 2.96Å; D503-Q506 WeakPolarHBondContact O-CB 3.26Å; D503-Q506 PolarHBondContact O-N 2.77Å; D503-E507 PolarHBondContact O-N 3.23Å
504E64.9Low63.5Low136 Ų136117.7 Ų117.764%0.63657%0.572SS**Hα-helixtrans-67.1-42.2173.9-77.5-167.615900112.2Q500 Q501 Q506 E507 E508Q500-E504 WeakPolarHBondContact O-CG 3.42Å; Q500-E504 PolarHBondContact O-N 3.23Å; Q501-E504 PolarHBondContact O-N 3.25Å; E504-Q506 PolarHBondContact O-N 2.84Å; E504-E507 PolarHBondContact O-N 3.28Å; E504-E508 PolarHBondContact O-N 3.43Å
505D69.3Low63.9Low90 Ų90118 Ų11848%0.48157%0.574SS.*Hα-helixtrans-66.6-24.7174.1-102-12.3000112Q501 Q509Q501-D505 PolarHBondContact O-N 3.16Å; D505-Q509 WeakPolarHBondContact O-CB 3.37Å; D505-Q509 WeakPolarHBondContact O-CG 3.44Å; D505-Q509 PolarHBondContact O-N 3.41Å; D505-Q509 PolarHBondContact O-NE2 3.05Å
506Q71.1Confident64.5Low108 Ų108117 Ų11751%0.50557%0.573SS.*Hα-helixtrans-73.1-48.2172.2-170.877.8103.800111D502 D503 E504 Q509 D510D502-Q506 VanDerWaalsContact O-CB 3.29Å; D502-Q506 WeakPolarHBondContact O-CB 3.48Å; D502-Q506 PolarHBondContact O-N 2.89Å; D503-Q506 WeakPolarHBondContact O-CB 3.26Å; D503-Q506 PolarHBondContact O-N 2.77Å; E504-Q506 PolarHBondContact O-N 2.84Å; Q506-Q509 PolarHBondContact O-N 3.33Å; Q506-D510 PolarHBondContact O-N 2.93Å; Q506-D510 VanDerWaalsContact O-N 3.09Å
507E67.7Low64.8Low159 Ų159117.3 Ų117.374%0.74357%0.574SS**Hα-helixtrans-65.7-38.6176-72.7-157.616200112.5D503 E504 Q509 D510 G511D503-E507 PolarHBondContact O-N 3.23Å; E504-E507 PolarHBondContact O-N 3.28Å; E507-Q509 VanDerWaalsContact C-N 3.26Å; E507-Q509 PolarHBondContact O-N 3.38Å; E507-D510 PolarHBondContact O-N 2.97Å; E507-G511 PolarHBondContact O-N 3.38Å
508E68.7Low65.2Low115 Ų115114.7 Ų114.754%0.53757%0.565SS.*Hα-helixtrans-63.9-29.7174.3-101.6-140.2166.100112.6E504 K512E504-E508 PolarHBondContact O-N 3.43Å; E508-K512 WeakPolarHBondContact O-CD 3.35Å; E508-K512 VanDerWaalsContact O-CE 3.25Å; E508-K512 WeakPolarHBondContact O-CE 3.26Å; E508-K512 WeakPolarHBondContact O-CG 3.39Å; E508-K512 PolarHBondContact O-N 3.02Å; E508-K512 WeakPolarHBondContact OE2-CE 3.36Å; E508-K512 IonicContact OE2-NZ 2.73Å; E508-K512 PolarHBondContact OE2-NZ 3.25Å
509Q67.3Low65.5Low113 Ų113112.8 Ų112.853%0.52856%0.556SS.*Hα-helixtrans-78.3-41176.9-81.8174.791.100112.9D505 Q506 E507 Q513D505-Q509 WeakPolarHBondContact O-CB 3.37Å; D505-Q509 WeakPolarHBondContact O-CG 3.44Å; D505-Q509 PolarHBondContact O-N 3.41Å; D505-Q509 PolarHBondContact O-NE2 3.05Å; Q506-Q509 PolarHBondContact O-N 3.33Å; E507-Q509 VanDerWaalsContact C-N 3.26Å; E507-Q509 PolarHBondContact O-N 3.38Å; Q509-Q513 PolarHBondContact O-N 3.35Å; Q509-Q513 VanDerWaalsContact O-N 3.16Å
510D68.1Low65.9Low93 Ų93111.5 Ų111.550%0.49756%0.557SS.*Hα-helixtrans-70.7-37.8176.4-83.7-1.2000111.3Q506 E507 K512 Q513 E514Q506-D510 PolarHBondContact O-N 2.93Å; Q506-D510 VanDerWaalsContact O-N 3.09Å; E507-D510 PolarHBondContact O-N 2.97Å; D510-K512 PolarHBondContact O-N 2.92Å; D510-Q513 CarbonylContact O-C 3.53Å; D510-Q513 WeakPolarHBondContact O-CA 3.43Å; D510-Q513 WeakPolarHBondContact O-CB 3.49Å; D510-Q513 PolarHBondContact O-N 3.29Å; D510-Q513 VanDerWaalsContact O-N 3.09Å; D510-E514 PolarHBondContact O-N 2.9Å
511G62.7Low66.1Low40 Ų40111.9 Ų111.941%0.41256%0.558SS.*Hα-helixtrans-59.8-43.6173.700000113.3E507 Q513 E514 E515E507-G511 PolarHBondContact O-N 3.38Å; G511-Q513 VanDerWaalsContact C-N 3.29Å; G511-Q513 PolarHBondContact O-N 3.27Å; G511-E514 PolarHBondContact O-N 3.35Å; G511-E515 PolarHBondContact O-N 3.38Å
512K67.5Low65.9Low101 Ų101110.8 Ų110.844%0.43956%0.557SS.*Hα-helixtrans-64.3-33.6173.3-70.3161.2-161153.80112.1E508 D510 E515 D516E508-K512 WeakPolarHBondContact O-CD 3.35Å; E508-K512 VanDerWaalsContact O-CE 3.25Å; E508-K512 WeakPolarHBondContact O-CE 3.26Å; E508-K512 WeakPolarHBondContact O-CG 3.39Å; E508-K512 PolarHBondContact O-N 3.02Å; E508-K512 WeakPolarHBondContact OE2-CE 3.36Å; E508-K512 IonicContact OE2-NZ 2.73Å; E508-K512 PolarHBondContact OE2-NZ 3.25Å; D510-K512 PolarHBondContact O-N 2.92Å; K512-E515 PolarHBondContact O-N 3.18Å; K512-D516 PolarHBondContact O-N 3.42Å
513Q63.4Low65.8Low116 Ų116109.7 Ų109.754%0.54255%0.546SS..Hα-helixtrans-69.5-33.7174.2-111.6178.3110.500113Q509 D510 G511 Q517Q509-Q513 PolarHBondContact O-N 3.35Å; Q509-Q513 VanDerWaalsContact O-N 3.16Å; D510-Q513 CarbonylContact O-C 3.53Å; D510-Q513 WeakPolarHBondContact O-CA 3.43Å; D510-Q513 WeakPolarHBondContact O-CB 3.49Å; D510-Q513 PolarHBondContact O-N 3.29Å; D510-Q513 VanDerWaalsContact O-N 3.09Å; G511-Q513 VanDerWaalsContact C-N 3.29Å; G511-Q513 PolarHBondContact O-N 3.27Å; Q513-Q517 WeakPolarHBondContact O-CB 3.43Å; Q513-Q517 VanDerWaalsContact O-CG 3.26Å; Q513-Q517 WeakPolarHBondContact O-CG 3.47Å; Q513-Q517 PolarHBondContact O-N 3.19Å; Q513-Q517 PolarHBondContact O-NE2 3.08Å
514E63.5Low65.5Low135 Ų135109.6 Ų109.663%0.63154%0.54SS*.Hα-helixtrans-71.7-36.5170-70.5-153.2143.200112D510 G511 Q517 N518D510-E514 PolarHBondContact O-N 2.9Å; G511-E514 PolarHBondContact O-N 3.35Å; E514-Q517 PolarHBondContact O-N 2.85Å; E514-N518 PolarHBondContact O-N 3.3Å; E514-N518 PolarHBondContact O-ND2 3Å
515E64.1Low65.2Low143 Ų143106.3 Ų106.367%0.66853%0.529SS*.Hα-helixtrans-66.7-46.1178.3-159.3167.4-139.700111.8G511 K512 Q517 N518 E519G511-E515 PolarHBondContact O-N 3.38Å; K512-E515 PolarHBondContact O-N 3.18Å; E515-Q517 VanDerWaalsContact C-N 3.29Å; E515-Q517 PolarHBondContact O-N 2.99Å; E515-N518 PolarHBondContact O-N 3.11Å; E515-E519 PolarHBondContact O-N 3.4Å
516D67.3Low64.6Low110 Ų110108.8 Ų108.859%0.58854%0.538SS*.Hα-helixtrans-58.4-37.7172.2-94.1-7.2000112.5K512 T520K512-D516 PolarHBondContact O-N 3.42Å; D516-T520 WeakPolarHBondContact O-CB 3.19Å; D516-T520 PolarHBondContact O-N 3.04Å; D516-T520 VanDerWaalsContact O-N 3.08Å; D516-T520 PolarHBondContact O-OG1 3.26Å
517Q63.9Low64.1Low124 Ų124110.9 Ų110.958%0.57955%0.548SS*.Hα-helixtrans-71.3-40.8178.1-79.7175.399.400112.1Q513 E514 E515 T520 Q521Q513-Q517 WeakPolarHBondContact O-CB 3.43Å; Q513-Q517 VanDerWaalsContact O-CG 3.26Å; Q513-Q517 WeakPolarHBondContact O-CG 3.47Å; Q513-Q517 PolarHBondContact O-N 3.19Å; Q513-Q517 PolarHBondContact O-NE2 3.08Å; E514-Q517 PolarHBondContact O-N 2.85Å; E515-Q517 VanDerWaalsContact C-N 3.29Å; E515-Q517 PolarHBondContact O-N 2.99Å; Q517-T520 PolarHBondContact O-N 3.28Å; Q517-Q521 WeakPolarHBondContact O-CB 3.33Å; Q517-Q521 PolarHBondContact O-N 3.44Å
518N62.6Low63.6Low86 Ų86109 Ų10946%0.4654%0.539SS..Hα-helixtrans-66.3-45.6174.9-75.3-55.8000111.3E514 E515 T520 Q521 D522E514-N518 PolarHBondContact O-N 3.3Å; E514-N518 PolarHBondContact O-ND2 3Å; E515-N518 PolarHBondContact O-N 3.11Å; N518-T520 PolarHBondContact O-N 2.73Å; N518-Q521 PolarHBondContact O-N 2.84Å; N518-D522 PolarHBondContact O-N 2.98Å
519E65.8Low62.8Low100 Ų100108.8 Ų108.847%0.46754%0.542SS..Hα-helixtrans-63-31.8178-151-148.3178.800111.9E515 K523E515-E519 PolarHBondContact O-N 3.4Å; E519-K523 VanDerWaalsContact CD-CE 3.45Å; E519-K523 WeakPolarHBondContact O-CB 3.34Å; E519-K523 WeakPolarHBondContact O-CD 3.45Å; E519-K523 VanDerWaalsContact O-CG 3.24Å; E519-K523 WeakPolarHBondContact O-CG 3.24Å; E519-K523 PolarHBondContact O-N 3.34Å; E519-K523 WeakPolarHBondContact OE1-CE 3.5Å; E519-K523 IonicContact OE1-NZ 3.22Å; E519-K523 PolarHBondContact OE1-NZ 2.74Å; E519-K523 IonicContact OE2-NZ 2.92Å; E519-K523 PolarHBondContact OE2-NZ 3.28Å
520T66.4Low62.2Low95 Ų95107.8 Ų107.858%0.58354%0.54SS*.Hα-helixtrans-69.7-35.9171.9-60.60000112.4D516 Q517 N518 K524D516-T520 WeakPolarHBondContact O-CB 3.19Å; D516-T520 PolarHBondContact O-N 3.04Å; D516-T520 VanDerWaalsContact O-N 3.08Å; D516-T520 PolarHBondContact O-OG1 3.26Å; Q517-T520 PolarHBondContact O-N 3.28Å; N518-T520 PolarHBondContact O-N 2.73Å; T520-K524 WeakPolarHBondContact O-CB 3.4Å; T520-K524 PolarHBondContact O-N 3.19Å
521Q62.4Low61.6Low128 Ų128108.3 Ų108.360%0.59854%0.543SS*.Hα-helixtrans-75.5-39.5178.5-170.8173.8-66.700112.5Q517 N518 K524 T525Q517-Q521 WeakPolarHBondContact O-CB 3.33Å; Q517-Q521 PolarHBondContact O-N 3.44Å; N518-Q521 PolarHBondContact O-N 2.84Å; Q521-K524 PolarHBondContact O-N 3.02Å; Q521-T525 PolarHBondContact O-N 2.65Å; Q521-T525 PolarHBondContact O-OG1 3.24Å
522D60.3Low61.2Low100 Ų100111.9 Ų111.954%0.53555%0.552SS.*Hα-helixtrans-64.6-48.3176.2-75.1-18.6000110.8N518 K524 T525 E526N518-D522 PolarHBondContact O-N 2.98Å; D522-K524 PolarHBondContact O-N 2.89Å; D522-T525 CarbonylContact O-C 3.52Å; D522-T525 WeakPolarHBondContact O-CA 3.41Å; D522-T525 WeakPolarHBondContact O-CB 3.46Å; D522-T525 PolarHBondContact O-N 2.89Å; D522-E526 PolarHBondContact O-N 3.24Å
523K66.2Low60.6Low97 Ų97114.1 Ų114.142%0.42256%0.564SS.*Hα-helixtrans-56-39174-73.8166.7-173.3166.80112.7E519 T525 E526 E527E519-K523 VanDerWaalsContact CD-CE 3.45Å; E519-K523 WeakPolarHBondContact O-CB 3.34Å; E519-K523 WeakPolarHBondContact O-CD 3.45Å; E519-K523 VanDerWaalsContact O-CG 3.24Å; E519-K523 WeakPolarHBondContact O-CG 3.24Å; E519-K523 PolarHBondContact O-N 3.34Å; E519-K523 WeakPolarHBondContact OE1-CE 3.5Å; E519-K523 IonicContact OE1-NZ 3.22Å; E519-K523 PolarHBondContact OE1-NZ 2.74Å; E519-K523 IonicContact OE2-NZ 2.92Å; E519-K523 PolarHBondContact OE2-NZ 3.28Å; K523-T525 VanDerWaalsContact C-N 3.29Å; K523-T525 PolarHBondContact O-N 2.99Å; K523-E526 PolarHBondContact O-N 2.61Å; K523-E527 PolarHBondContact O-N 2.99Å
524K61.9Low60.1Low113 Ų113113.4 Ų113.449%0.49156%0.559SS.*Hα-helixtrans-68.8-29175.8-174.5-178170.8-63.70112.4T520 Q521 D522 E528T520-K524 WeakPolarHBondContact O-CB 3.4Å; T520-K524 PolarHBondContact O-N 3.19Å; Q521-K524 PolarHBondContact O-N 3.02Å; D522-K524 PolarHBondContact O-N 2.89Å; K524-E528 IonicContact NZ-OE1 3.8Å; K524-E528 PolarHBondContact NZ-OE1 3.49Å; K524-E528 IonicContact NZ-OE2 2.65Å; K524-E528 PolarHBondContact NZ-OE2 3.03Å; K524-E528 PolarHBondContact O-N 2.83Å
525T59Low59.3Low67 Ų67112.1 Ų112.141%0.41156%0.557SS.*Hα-helixtrans-76.2-41.6176.5-50.90000110.4Q521 D522 K523 E527 E528 D529Q521-T525 PolarHBondContact O-N 2.65Å; Q521-T525 PolarHBondContact O-OG1 3.24Å; D522-T525 CarbonylContact O-C 3.52Å; D522-T525 WeakPolarHBondContact O-CA 3.41Å; D522-T525 WeakPolarHBondContact O-CB 3.46Å; D522-T525 PolarHBondContact O-N 2.89Å; K523-T525 VanDerWaalsContact C-N 3.29Å; K523-T525 PolarHBondContact O-N 2.99Å; T525-E527 PolarHBondContact O-N 3.16Å; T525-E528 PolarHBondContact O-N 3.48Å; T525-E528 VanDerWaalsContact O-N 3.16Å; T525-D529 PolarHBondContact O-N 3.48Å
526E57.8Low58.8Low142 Ų142110.5 Ų110.566%0.66456%0.557SS**Hα-helixtrans-60.4-42171.9-66.5-174.3150.900112.1D522 K523 E528 D529 D530D522-E526 PolarHBondContact O-N 3.24Å; K523-E526 PolarHBondContact O-N 2.61Å; E526-E528 VanDerWaalsContact C-N 3.32Å; E526-E528 PolarHBondContact O-N 3.22Å; E526-D529 PolarHBondContact O-N 3.19Å; E526-D530 VanDerWaalsContact O-CB 3.28Å; E526-D530 WeakPolarHBondContact O-CB 3.28Å; E526-D530 PolarHBondContact O-N 3.43Å
527E60.3Low57.9Low151 Ų151113.7 Ų113.771%0.70657%0.568SS**Hα-helixtrans-65.9-28.6174.3-76.8-172175.300113.6K523 T525K523-E527 PolarHBondContact O-N 2.99Å; T525-E527 PolarHBondContact O-N 3.16Å
528E55.8Low57.2Low120 Ų120114 Ų11456%0.56157%0.572SS**Hα-helixtrans-79.3-36.6176.4-78.1-178.8172.800112.5K524 T525 E526K524-E528 IonicContact NZ-OE1 3.8Å; K524-E528 PolarHBondContact NZ-OE1 3.49Å; K524-E528 IonicContact NZ-OE2 2.65Å; K524-E528 PolarHBondContact NZ-OE2 3.03Å; K524-E528 PolarHBondContact O-N 2.83Å; T525-E528 PolarHBondContact O-N 3.48Å; T525-E528 VanDerWaalsContact O-N 3.16Å; E526-E528 VanDerWaalsContact C-N 3.32Å; E526-E528 PolarHBondContact O-N 3.22Å
529D53.6Low56.4Low111 Ų111118.6 Ų118.659%0.59459%0.588SS**Hα-helixtrans-68.1-41.2173.5-82.4-33.4000112T525 E526 D531 D532 E533T525-D529 PolarHBondContact O-N 3.48Å; E526-D529 PolarHBondContact O-N 3.19Å; D529-D531 VanDerWaalsContact C-N 3.3Å; D529-D531 PolarHBondContact O-N 3.16Å; D529-D532 PolarHBondContact O-N 3.34Å; D529-D532 VanDerWaalsContact O-N 3.16Å; D529-E533 PolarHBondContact O-N 3.48Å
530D54.2Low55.1Low92 Ų92119.1 Ų119.149%0.49260%0.603SS.*Hα-helixtrans-67.3-27.8-176-163.760000112.2E526 K534E526-D530 VanDerWaalsContact O-CB 3.28Å; E526-D530 WeakPolarHBondContact O-CB 3.28Å; E526-D530 PolarHBondContact O-N 3.43Å; D530-K534 VanDerWaalsContact C-NZ 3.26Å; D530-K534 VanDerWaalsContact CG-NZ 3.3Å; D530-K534 WeakPolarHBondContact O-CG 3.45Å; D530-K534 PolarHBondContact O-NZ 3.36Å; D530-K534 IonicContact OD2-NZ 3.36Å; D530-K534 PolarHBondContact OD2-NZ 2.65Å
531D54Low54.1Low103 Ų103124 Ų12455%0.55162%0.62SS**Hα-helixtrans-81.7-22.3174-105.913.9000113.8D529 K534 N535D529-D531 VanDerWaalsContact C-N 3.3Å; D529-D531 PolarHBondContact O-N 3.16Å; D531-K534 IonicContact OD1-NZ 2.78Å; D531-K534 PolarHBondContact OD1-NZ 3.02Å; D531-N535 PolarHBondContact O-N 3.19Å; D531-N535 PolarHBondContact O-ND2 3.43Å
532D54.2Low52.7Low115 Ų115121.2 Ų121.262%0.61563%0.625SS**Hα-helixtrans-77.6-37.2173.4-111.3-2.5000111.6D529 K534 N535 V536D529-D532 PolarHBondContact O-N 3.34Å; D529-D532 VanDerWaalsContact O-N 3.16Å; D532-K534 VanDerWaalsContact C-N 3.34Å; D532-K534 PolarHBondContact O-N 3.46Å; D532-N535 WeakPolarHBondContact O-CB 3.5Å; D532-N535 PolarHBondContact O-N 3.42Å; D532-V536 PolarHBondContact O-N 3.32Å
533E55.1Low51.3Low149 Ų149122.2 Ų122.270%0.69664%0.64SS**Hα-helixtrans-60.2-42.2171.3-79.8-14914200111.9D529 N535 V536D529-E533 PolarHBondContact O-N 3.48Å; E533-N535 PolarHBondContact O-N 2.73Å; E533-V536 PolarHBondContact O-N 3.25Å
534K53.1Low49.8Very low100 Ų100122.3 Ų122.344%0.43565%0.653SS.*Hα-helixtrans-63.8-25.8177.8-66.4-178-152.982.80113.3D530 D531 D532 I538D530-K534 VanDerWaalsContact C-NZ 3.26Å; D530-K534 VanDerWaalsContact CG-NZ 3.3Å; D530-K534 WeakPolarHBondContact O-CG 3.45Å; D530-K534 PolarHBondContact O-NZ 3.36Å; D530-K534 IonicContact OD2-NZ 3.36Å; D530-K534 PolarHBondContact OD2-NZ 2.65Å; D531-K534 IonicContact OD1-NZ 2.78Å; D531-K534 PolarHBondContact OD1-NZ 3.02Å; D532-K534 VanDerWaalsContact C-N 3.34Å; D532-K534 PolarHBondContact O-N 3.46Å; K534-I538 WeakPolarHBondContact O-CD1 3.4Å
535N47.8Very low48.5Very low108 Ų108123.4 Ų123.458%0.57866%0.664SS**Hα-helixtrans-72.9-26.3173.4-97.8-63.9000113.1D531 D532 E533D531-N535 PolarHBondContact O-N 3.19Å; D531-N535 PolarHBondContact O-ND2 3.43Å; D532-N535 WeakPolarHBondContact O-CB 3.5Å; D532-N535 PolarHBondContact O-N 3.42Å; E533-N535 PolarHBondContact O-N 2.73Å
536V53Low47.7Very low110 Ų110128.4 Ų128.467%0.66768%0.683SS**Hα-helixtrans-77.6-41.3-176.3175.70000112.1D532 E533 I538D532-V536 PolarHBondContact O-N 3.32Å; E533-V536 PolarHBondContact O-N 3.25Å; V536-I538 VanDerWaalsContact C-N 3.27Å; V536-I538 PolarHBondContact O-N 3.28Å
537E49.3Very low46.8Very low177 Ų177129.9 Ų129.983%0.82769%0.69SS**Hα-helixtrans-67-23.8-177-68.7-147.2127.400114.2F539E537-F539 PolarHBondContact O-N 3.17Å
538I49.1Very low45.8Very low131 Ų131131.2 Ų131.267%0.67270%0.696SS**THydrogen-bonded Turntrans-70.2-13.1-175.2-67.6173.5000112.9K534 V536K534-I538 WeakPolarHBondContact O-CD1 3.4Å; V536-I538 VanDerWaalsContact C-N 3.27Å; V536-I538 PolarHBondContact O-N 3.28Å
539F45.4Very low44.8Very low181 Ų181130.3 Ų130.379%0.79471%0.709SS**THydrogen-bonded Turntrans-107.125.4-169.8-105.7-76.9000116.6E537E537-F539 PolarHBondContact O-N 3.17Å
540S39.1Very low44Very low112 Ų112133.1 Ų133.178%0.78372%0.724SS**  trans-142.569.8176.2-75.60000115.1
541E43.4Very low43.1Very low197 Ų197132 Ų13292%0.92173%0.734SS**  trans-71.6138.8166.8-74.3-169.6118.300113.5
542G33.3Very low42.4Very low70 Ų70135.5 Ų135.572%0.72275%0.752SS**  99119.5123.600000120.1
543S32Very low41.8Very low121 Ų121137.1 Ų137.185%0.84676%0.756SS**  175.2143.310944.40000114
544S33.7Very low40.9Very low99 Ų99140.6 Ų140.669%0.69277%0.769SS**  trans47132.8136.2-171.60000120.9
545D35.8Very low40.3Very low136 Ų136141.9 Ų141.973%0.72778%0.78SS**  cis-164.9163.7-9.8-98.5-40.3000111.1
546E41.2Very low39.8Very low171 Ų171145.7 Ų145.780%0.79980%0.797SS**  trans32.8124.1151.3-60-178.3168.900122.8
547E39.7Very low39.1Very low174 Ų174149.2 Ų149.281%0.81381%0.806SS**  -177.9162.7110.8-96.9-71.9-16500113.2
548E39.2Very low38.9Very low179 Ų179144.7 Ų144.784%0.83680%0.799SS**  trans-85.7153.1-167-59.2-173.8125.600117.2
549A35.3Very low38.9Very low100 Ų100144.6 Ų144.683%0.82681%0.806SS**  167.8131.8111.300000116.5
550D35.3Very low38.6Very low171 Ų171145.2 Ų145.291%0.91481%0.812SS**  trans1.6117.6163.8-81.2-30.5000122.5
551G35.2Very low38.4Very low68 Ų68143 Ų14370%0.70181%0.807SS**  82106.194.300000121
552L40.9Very low37.8Very low176 Ų176144.2 Ų144.292%0.92181%0.809SS**  -177150.6110-97.5166.6000112.7
553E41.2Very low38.1Very low150 Ų150151.6 Ų151.670%0.70182%0.816SS**  trans-76.7150.1-177.9-56166.5105.900113.3
554F35.9Very low38.2Very low221 Ų221152.5 Ų152.597%0.96981%0.811SS**  trans-145.4115.8136.8-89.1-68000111.2
555L41Very low38.6Very low128 Ų128151.7 Ų151.767%0.6781%0.805SS**  trans-74.7147.3171.7-76.4151.9000111.4
556M37.5Very low38.8Very low188 Ų188151.6 Ų151.693%0.92681%0.805SS**  -167.6156108.7-102171.8-69.700112.5
557E37.8Very low38.8Very low184 Ų184151.5 Ų151.586%0.8680%0.804SS**  trans-109.5172.7-168.1-164.1174.7161.800110.8
558A44.8Very low39Very low82 Ų82148.3 Ų148.368%0.67879%0.793SS**  trans-70.9179.1177.300000112.6
559P50.2Low39Very low128 Ų128148.6 Ų148.683%0.83179%0.786SS**  -144.4169.890.439.5-24.7000115.8
560E39Very low38.8Very low194 Ų194152.3 Ų152.391%0.90778%0.784SS**  trans-80.2-178.8173-48167.2124.800112.2
561G34.3Very low39Very low66 Ų66149.9 Ų149.968%0.6878%0.78SS**  trans143.792149.300000116.8
562F31.5Very low39.1Very low222 Ų222155 Ų15597%0.97479%0.786SS**  trans-133.4123.4151.9-91-80.7000110
563R38.1Very low39.1Very low226 Ų226152.5 Ų152.585%0.85378%0.783SS**  trans-144.6134.1169.8-106.2-175.9157.4158-3.4108
564N35.6Very low38.8Very low140 Ų140154.3 Ų154.375%0.74978%0.784SS**  trans40.1145.7136.6-5639.1000120.7
565S42.1Very low38.8Very low81 Ų81150.6 Ų150.657%0.56677%0.769SS**  cis-174.2-179.8-13.8-85.60000108.2
566D39.2Very low38.5Very low135 Ų135150 Ų15072%0.72278%0.776SS**  trans75.8134.5148-49.9-38.8000122.5
567E41.6Very low38.5Very low169 Ų169145.9 Ų145.979%0.7977%0.766SS**  trans55.9148.7143.7-64.8173.98000120.3
568D43.6Very low38.6Very low107 Ų107143.6 Ų143.657%0.57276%0.764SS**  cis-162.4165.329.1-156.70.2000114.9
569R38.3Very low38.5Very low184 Ų184143.8 Ų143.869%0.69477%0.765SS**  trans45.3126.8158.1-64-146.8160.961.31.2126
570F32.3Very low38Very low179 Ų179145.5 Ų145.579%0.78577%0.768SS**  35130.5125.9-66.6-92.6000122.1
571S38Very low38.2Very low120 Ų120139.7 Ų139.784%0.83975%0.752SS**  -177.5154.797.7-74.20000113.6
572E37.6Very low38.6Very low176 Ų176145.7 Ų145.782%0.82276%0.763SS**  trans-75.2156.1174.2-54.4163.288.200113.2
573S42.3Very low39Very low123 Ų123141.7 Ų141.786%0.8675%0.751SS**  trans-172.897.3138.9-84.30000115.3
574R33.9Very low39.3Very low188 Ų188138.5 Ų138.571%0.70975%0.75SS**  trans17.3127.6135.4-55.1-176.180.4105.410.7122
575E35.3Very low39.2Very low143 Ų143135.2 Ų135.267%0.66875%0.75SS**  73.3149.7124.9-63.9166.4157.200123.3
576S36.4Very low39Very low115 Ų115140.2 Ų140.280%0.80476%0.764SS**  trans77.6157.1159.180.50000119.8
577S36Very low38.8Very low102 Ų102138.9 Ų138.971%0.71376%0.761SS**  cis-172.8141-3457.70000113
578V39.6Very low38.4Very low136 Ų136138.6 Ų138.682%0.82476%0.76SS**  trans67.5108.7142.7175.70000121.5
579A43.2Very low38.2Very low85 Ų85140.4 Ų140.470%0.70277%0.768SS**  trans78165.2132.200000125.2
580D39.8Very low39Very low165 Ų165137.5 Ų137.588%0.88277%0.773SS**  trans69.2148.2171.7-71.9-4.3000120.3
581A44Very low39.8Very low71 Ų71136.4 Ų136.459%0.58778%0.775SS**  cis-172.6172.7-2400000110.9
582Q41.8Very low40Very low193 Ų193138.4 Ų138.490%0.90278%0.776SS**  trans69.7159.3161.3-66.7171.723.100118
583D40.7Very low40.3Very low137 Ų137138.5 Ų138.573%0.73377%0.774SS**  cis-168.5170-25.417839.2000108.9
584L43Very low40.2Very low159 Ų159138.7 Ų138.783%0.83277%0.765SS**  trans141.6139.2145.3-73.5176.5000114.4
585G33.8Very low40.5Very low72 Ų72137.7 Ų137.774%0.74277%0.769SS**  trans-108.1-151.9175.800000113
586Q37.8Very low40.6Very low185 Ų185141 Ų14186%0.86478%0.775SS**  cis-178.3164.7-24.6-165.9179.9103.100106.5
587V35.1Very low40.6Very low108 Ų108146.3 Ų146.366%0.65578%0.778SS**  trans87.5107.1161.1-171.10000121.7
588E33.2Very low40.6Very low162 Ų162145.4 Ų145.476%0.75777%0.772SS**  39.9125.1127.3-58.7-17912200127.1
589I40.2Very low40.5Very low145 Ų145147 Ų14774%0.74477%0.77SS**  45.4127112.2-61.5172000119.1
590P55.3Low40.2Very low124 Ų124148.7 Ų148.781%0.80578%0.776SS**  -153.8178.180.941.4-20.3000119.8
591D48.8Very low40Very low156 Ų156144 Ų14483%0.83477%0.768SS**  trans-76.1165.3-178.9-57.1-84.6000117.1
592D42.3Very low39.6Very low161 Ų161149.5 Ų149.586%0.86179%0.787SS**  trans-152.6173.7148.9-140-26.7000113.8
593K42.6Very low39.2Very low179 Ų179143.7 Ų143.778%0.77878%0.779SS**  trans-107.3-166-166.7-52.5174.4-172.4164.20113.3
594D42.2Very low40.4Very low126 Ų126143.2 Ų143.267%0.67478%0.783SS**  cis-162.7-162.410.2-145.8-56.9000110.3
595E39Very low40.9Very low168 Ų168142 Ų14279%0.78579%0.785SS**  trans108.7158.9163.9-69.2-81.792.800119.8
596R37.5Very low41.1Very low213 Ų213141.6 Ų141.680%0.80478%0.781SS**  trans-142.8159.4-146-41.1175.4-172.6179.21117.9
597R35.9Very low41.3Very low225 Ų225142.3 Ų142.385%0.84978%0.784SS**  trans-178127.2138.8-98.1162.9176.8-88.51.1108.1
598S36.4Very low41.3Very low84 Ų84145.3 Ų145.359%0.58779%0.791SS**  62.4130.670.197.10000113
599E36.6Very low41.6Very low169 Ų169143.1 Ų143.179%0.7979%0.789SS**  cis-152-176.226.5-121.8138.1115.900115.1
600S37Very low41.5Very low120 Ų120140.2 Ų140.284%0.83978%0.781SS**  trans-72.5174.817547.20000114.8
601G35.5Very low40.8Very low68 Ų68142.2 Ų142.270%0.70178%0.78SS**  cis167.5-154.63.700000112.7
602D35.8Very low40.3Very low186 Ų186140.1 Ų140.1100%0.99577%0.768SS**  trans74.4167.6170.8-69.8-27000121.5
603G35.1Very low40.1Very low70 Ų70140.1 Ų140.172%0.72276%0.763SS**  trans-140.6-158.3-159.600000117.5
604P64.9Low40.1Very low128 Ų128136.5 Ų136.583%0.83176%0.76SS**  trans-96.8165.2-152.539.1-39.7000116.9
605P54.5Low41Very low133 Ų133136.4 Ų136.486%0.86477%0.767SS**  -139.5-178.899.540.1-28000113.2
606G37.8Very low41Very low64 Ų64134.2 Ų134.266%0.6677%0.77SS**  cis155151.4-800000113.3
607E40.8Very low41.4Very low200 Ų200130.6 Ų130.694%0.93577%0.771SS**  trans65149.4174.2-58.5-177119.900117.2
608E36.7Very low42.7Very low171 Ų171125.4 Ų125.480%0.79977%0.767SS**  cis-123.7-156.86.6-59.3-179.8-3.500111
609T37.6Very low43.1Very low116 Ų116131 Ų13171%0.71281%0.806SS**  cis-147.2176.4-5.6-22.80000112.2
610S38.7Very low43.4Very low83 Ų83129.1 Ų129.158%0.5881%0.807SS**  trans-45.5143.3178.758.80000124.1
611H40.3Very low43.8Very low167 Ų167129.6 Ų129.677%0.77381%0.805SS**  73.1147.4128.9-71.441.3000119.8
612D39.5Very low44.2Very low111 Ų111133 Ų13359%0.59481%0.811SS**  cis-150.3172.11.5-138.6-20.7000115.9
613Q38.2Very low44.7Very low162 Ų162129.9 Ų129.976%0.75780%0.8SS**  trans-27.5161.6162.2-75.1164.488.400119.2
614S42.1Very low45.3Very low103 Ų103133.6 Ų133.672%0.7281%0.805SS**  cis-171179.1-9.6600000109.7
615P60.4Low44Very low124 Ų124134 Ų13481%0.80580%0.803SS**  trans-107.3167.7-161.640.8-35.8000116.7
616S40.3Very low43.3Very low121 Ų121134.1 Ų134.185%0.84680%0.799SS**  trans-154.9133.3154.757.40000114.6
617T44.5Very low43.7Very low137 Ų137139.5 Ų139.584%0.8481%0.81SS**  trans-119.3-179.5158.154.90000107.4
618P63.3Low43.9Very low116 Ų116134.4 Ų134.475%0.75380%0.799SS**  cis-120.5174-33.837.6-25.2000111.8
619S45.4Very low44.6Very low202 Ų202131.1 Ų131.1100%1.41380%0.799SS**  trans-162.50146.9-76.50000109.9

Retrieved 619 of 619 residues in 491.1 ms (Link to these results)

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