G4V5B9_SCHMA Loading...

Ribonuclease T(2)

AlphaFold DB , UniProt , Accession G4V5B9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 270 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
1M50.2Low53.9Low221 Ų221162.9 Ų162.9100%1.08981%0.812SS**  0103.30-82179.768.100108.6
2L51.7Low53.8Low161 Ų161157.2 Ų157.284%0.84380%0.795SS**  trans-155.694.3158.8-148.970.9000107.4L4L2-L4 PolarHBondContact O-N 3.23Å
3H56.6Low53.8Low173 Ų173154.7 Ų154.780%0.80179%0.792SS**  trans-73.4105.4175.4-70.8-66.4000108.1L5H3-L5 PolarHBondContact O-N 3.07Å
4L58Low53.2Low153 Ų153156.4 Ų156.480%0.80179%0.792SS**  trans-69.4100.1169.6-126.585.3000107.7L2 L6L2-L4 PolarHBondContact O-N 3.23Å; L4-L6 PolarHBondContact O-N 3Å; L4-L6 VanDerWaalsContact O-N 3.13Å
5L57.7Low52.8Low159 Ų159157.2 Ų157.283%0.83279%0.788SS**  trans-67.8103.3171.7-79.4157.4000108.7H3 L7H3-L5 PolarHBondContact O-N 3.07Å; L5-L7 PolarHBondContact O-N 3.13Å
6L56.8Low52.2Low141 Ų141157.9 Ų157.974%0.73879%0.788SS**  trans-65.494.1166.4-93.3129.5000108.9L4 F8L4-L6 PolarHBondContact O-N 3Å; L4-L6 VanDerWaalsContact O-N 3.13Å; L6-F8 HydrophobicContact CB-CE2 4.2Å; L6-F8 HydrophobicContact CD2-CZ 4.48Å; L6-F8 PolarHBondContact O-N 3.16Å; L6-F8 VanDerWaalsContact O-N 3.16Å
7L53.1Low51.4Low137 Ų137157.2 Ų157.272%0.71778%0.782SS**  trans-74.597.5166-72167.8000108L5 F9L5-L7 PolarHBondContact O-N 3.13Å; L7-F9 HydrophobicContact CB-CE2 4.33Å; L7-F9 WeakPolarHBondContact O-CD2 3.47Å; L7-F9 PolarHBondContact O-N 2.94Å
8F53.1Low51.1Low172 Ų172155.4 Ų155.475%0.75478%0.78SS**  trans-65.997165.9-74.9-86.3000108.3L6 L10L6-F8 HydrophobicContact CB-CE2 4.2Å; L6-F8 HydrophobicContact CD2-CZ 4.48Å; L6-F8 PolarHBondContact O-N 3.16Å; L6-F8 VanDerWaalsContact O-N 3.16Å; F8-L10 VanDerWaalsContact C-N 3.3Å; F8-L10 PolarHBondContact O-N 3Å
9F54.3Low50.8Low173 Ų173155.7 Ų155.776%0.75978%0.778SS**  trans-64.797163.2-69.2-82.9000107.5L7 N11L7-F9 HydrophobicContact CB-CE2 4.33Å; L7-F9 WeakPolarHBondContact O-CD2 3.47Å; L7-F9 PolarHBondContact O-N 2.94Å; F9-N11 PolarHBondContact O-N 2.87Å
10L52.8Low51Low164 Ų164150.6 Ų150.686%0.85977%0.767SS**  trans-64.987.1162.9-67.1172.1000106.7F8 P12F8-L10 VanDerWaalsContact C-N 3.3Å; F8-L10 PolarHBondContact O-N 3Å; L10-P12 VanDerWaalsContact O-CD 3.26Å; L10-P12 WeakPolarHBondContact O-CD 3.26Å
11N48.8Very low51.6Low138 Ų138152.2 Ų152.274%0.73877%0.771SS**  trans-63.9117.3163-87.4-37.3000106.3F9 V13F9-N11 PolarHBondContact O-N 2.87Å; N11-V13 PolarHBondContact O-N 2.83Å
12P52.5Low52.5Low94 Ų94148.3 Ų148.361%0.6175%0.745SS**  trans-62.6109.7169.626.4-29.2000105.8L10 F14L10-P12 VanDerWaalsContact O-CD 3.26Å; L10-P12 WeakPolarHBondContact O-CD 3.26Å; P12-F14 HydrophobicContact CG-CD2 4.44Å; P12-F14 HydrophobicContact CG-CE2 3.99Å; P12-F14 WeakPolarHBondContact O-CD2 3.45Å; P12-F14 PolarHBondContact O-N 2.92Å
13V53.4Low54.1Low125 Ų125145.3 Ų145.376%0.75873%0.726SS**  trans-62.496.3166.3177.40000104.6N11 F15N11-V13 PolarHBondContact O-N 2.83Å; V13-F15 HydrophobicContact CG1-CD2 4.48Å; V13-F15 PolarHBondContact O-N 2.9Å
14F46.4Very low55.7Low179 Ų179137 Ų13779%0.78569%0.688SS**  trans-60.899.9163.7-79-87.1000105.2P12 E16P12-F14 HydrophobicContact CG-CD2 4.44Å; P12-F14 HydrophobicContact CG-CE2 3.99Å; P12-F14 WeakPolarHBondContact O-CD2 3.45Å; P12-F14 PolarHBondContact O-N 2.92Å; F14-E16 PolarHBondContact O-N 2.87Å
15F46.2Very low57.4Low168 Ų168132.4 Ų132.474%0.73766%0.664SS**  trans-65.789.3165.8-132.6-93.8000105V13 H17V13-F15 HydrophobicContact CG1-CD2 4.48Å; V13-F15 PolarHBondContact O-N 2.9Å; F15-H17 PolarHBondContact O-N 2.86Å
16E43.8Very low59.1Low168 Ų168125 Ų12579%0.78563%0.625SS**  trans-59.998.1158.3-84.8-178160.800105.2F14 V18F14-E16 PolarHBondContact O-N 2.87Å; E16-V18 PolarHBondContact O-N 2.79Å
17H39.3Very low61Low147 Ų147118.3 Ų118.368%0.68159%0.59SS**  trans-57.293.9156.1-84.9-89.8000105.5F15 H19F15-H17 PolarHBondContact O-N 2.86Å; H17-H19 PolarHBondContact O-N 2.75Å
18V45.2Very low63.2Low125 Ų125112.3 Ų112.376%0.75856%0.559SS**  trans-6384157.5-177.80000104.3E16 G20E16-V18 PolarHBondContact O-N 2.79Å; V18-G20 PolarHBondContact O-N 2.83Å
19H45.7Very low65.3Low160 Ų160104.1 Ų104.174%0.74152%0.523SS*.  trans-58.893.7159.4-101-87.9000104.3H17 E21H17-H19 PolarHBondContact O-N 2.75Å; H19-E21 PolarHBondContact O-N 3.09Å; H19-E21 VanDerWaalsContact O-N 3.16Å
20G53.9Low67.4Low53 Ų5395.9 Ų95.955%0.54649%0.487SS..PPolyproline II helixtrans-49.8125.2159.200000106.1V18 R22V18-G20 PolarHBondContact O-N 2.83Å; G20-R22 PolarHBondContact O-N 3.16Å; G20-R22 VanDerWaalsContact O-N 3.09Å
21E64.8Low69.6Low186 Ų18688.1 Ų88.187%0.86945%0.446SS*.PPolyproline II helixtrans-52.2121.3174.9-71.3179.6156.200107.4H19 Q23H19-E21 PolarHBondContact O-N 3.09Å; H19-E21 VanDerWaalsContact O-N 3.16Å; E21-Q23 PolarHBondContact O-N 2.8Å
22R68.7Low72Confident139 Ų13982 Ų8253%0.52541%0.413SS..PPolyproline II helixtrans-53.9132.3175.5-77.6-173-89.5144-8108G20 W24 D119G20-R22 PolarHBondContact O-N 3.16Å; G20-R22 VanDerWaalsContact O-N 3.09Å; R22-W24 WeakPolarHBondContact CB-O 3.47Å; R22-W24 PolarHBondContact O-N 3.47Å; R22-D119 HydrophobicContact CG-CB 4.37Å
23Q84.6Confident74.2Confident97 Ų9777.5 Ų77.545%0.45338%0.384SS..SBendtrans-75-11179.1-51.7-176.2-5.800112E21 I61 D119E21-Q23 PolarHBondContact O-N 2.8Å; Q23-I61 VanDerWaalsContact O-CD1 3.32Å; Q23-I61 WeakPolarHBondContact O-CD1 3.17Å; Q23-I61 WeakPolarHBondContact O-CG1 3.32Å; Q23-D119 WeakPolarHBondContact CA-OD2 3.33Å; Q23-D119 WeakPolarHBondContact CB-OD2 3.37Å; Q23-D119 PolarHBondContact N-OD1 2.9Å; Q23-D119 PolarHBondContact N-OD2 3.29Å
24W91.5Very high76.3Confident0 Ų071.6 Ų71.60%035%0.348CS..  trans-150.5157.8174.858.5-85.4000112.7R22 H26 F27 P59 I61 P67 C115 D119 H120 P199R22-W24 WeakPolarHBondContact CB-O 3.47Å; R22-W24 PolarHBondContact O-N 3.47Å; W24-H26 VanDerWaalsContact CE3-C 3.46Å; W24-H26 VanDerWaalsContact CE3-O 3.29Å; W24-F27 AromaticContact CH2-CD2 3.68Å; W24-F27 HydrophobicContact CH2-CD2 3.68Å; W24-F27 HydrophobicContact CH2-CE1 4.25Å; W24-F27 AromaticContact CH2-CE2 3.16Å; W24-F27 HydrophobicContact CH2-CE2 3.16Å; W24-F27 HydrophobicContact CH2-CG 4.4Å; W24-F27 AromaticContact CH2-CZ 3.48Å; W24-F27 HydrophobicContact CH2-CZ 3.48Å; W24-F27 VanDerWaalsContact CH2-CZ 3.48Å; W24-F27 HydrophobicContact CZ2-CE1 4.46Å; W24-F27 AromaticContact CZ2-CE2 3.89Å; W24-F27 HydrophobicContact CZ2-CE2 3.89Å; W24-F27 AromaticContact CZ2-CZ 3.74Å; W24-F27 HydrophobicContact CZ2-CZ 3.74Å; W24-F27 HydrophobicContact CZ3-CD1 4.48Å; W24-F27 AromaticContact CZ3-CD2 3.69Å; W24-F27 HydrophobicContact CZ3-CD2 3.69Å; W24-F27 HydrophobicContact CZ3-CE1 4.47Å; W24-F27 AromaticContact CZ3-CE2 3.69Å; W24-F27 HydrophobicContact CZ3-CE2 3.69Å; W24-F27 HydrophobicContact CZ3-CG 4.1Å; W24-F27 HydrophobicContact CZ3-CZ 4.08Å; W24-P59 HydrophobicContact CB-CB 3.97Å; W24-P59 HydrophobicContact CD2-CB 3.87Å; W24-P59 HydrophobicContact CE3-CB 4.44Å; W24-P59 HydrophobicContact CG-CB 3.61Å; W24-I61 HydrophobicContact CB-CG1 4.36Å; W24-P67 HydrophobicContact CB-CG 4.26Å; W24-C115 PolarHBondContact NE1-O 2.73Å; W24-D119 HydrophobicContact CZ2-CB 4.24Å; W24-D119 PolarHBondContact NE1-OD2 3.34Å; W24-H120 HydrophobicContact CZ2-CB 4.03Å; W24-P199 HydrophobicContact CH2-CB 3.73Å; W24-P199 HydrophobicContact CH2-CG 3.92Å; W24-P199 HydrophobicContact CZ3-CB 4.1Å; W24-P199 HydrophobicContact CZ3-CG 3.79Å
25D92.5Very high78.7Confident55 Ų5563.6 Ų63.629%0.29431%0.314SS..SBendtrans-98.5-40.3-172-65.1-48.9000113.2S60 I61 W62 P199D25-S60 PolarHBondContact N-O 3.27Å; D25-I61 WeakPolarHBondContact OD2-CA 3.32Å; D25-W62 HydrophobicContact CB-CG 4.34Å; D25-W62 PolarHBondContact OD2-N 3.08Å; D25-P199 WeakPolarHBondContact O-CD 3.23Å
26H94.8Very high81Confident5 Ų555.6 Ų55.62%0.02328%0.279CS..EExtended strand (participates in β ladder)trans-152.1165-173.866.5-73000111.8W24 S60 W62 L197 I204W24-H26 VanDerWaalsContact CE3-C 3.46Å; W24-H26 VanDerWaalsContact CE3-O 3.29Å; H26-S60 VanDerWaalsContact CE1-CB 3.45Å; H26-S60 WeakPolarHBondContact CE1-CB 3.27Å; H26-S60 PolarHBondContact N-O 2.99Å; H26-S60 VanDerWaalsContact N-O 3.08Å; H26-S60 PolarHBondContact ND1-O 3.27Å; H26-S60 WeakPolarHBondContact NE2-CB 3.03Å; H26-S60 PolarHBondContact O-N 3.2Å; H26-W62 HydrophobicContact CB-CZ2 4.33Å; H26-W62 AromaticContact CD2-CH2 3.87Å; H26-W62 AromaticContact CE1-CD2 3.66Å; H26-W62 AromaticContact CE1-CE2 3.89Å; H26-W62 AromaticContact CE1-CE3 3.37Å; H26-W62 AromaticContact CE1-CH2 3.68Å; H26-W62 AromaticContact CE1-CZ2 3.95Å; H26-W62 AromaticContact CE1-CZ3 3.33Å; H26-W62 WeakPolarHBondContact CE1-CZ3 3.49Å; H26-W62 AromaticContact CG-CH2 3.94Å; H26-W62 AromaticContact CG-CZ2 3.85Å; H26-W62 AromaticContact ND1-CD2 3.73Å; H26-W62 AromaticContact ND1-CE2 3.55Å; H26-W62 AromaticContact ND1-CE3 3.9Å; H26-W62 AromaticContact ND1-CH2 3.83Å; H26-W62 AromaticContact ND1-CZ2 3.65Å; H26-W62 AromaticContact ND1-CZ3 3.91Å; H26-W62 AromaticContact NE2-CE3 3.99Å; H26-W62 AromaticContact NE2-CH2 3.71Å; H26-W62 AromaticContact NE2-CZ3 3.49Å; H26-W62 WeakPolarHBondContact NE2-CZ3 3.33Å; H26-L197 CarbonylContact C-O 3.5Å; H26-L197 WeakPolarHBondContact CA-O 3.35Å; H26-L197 VanDerWaalsContact CB-O 3.27Å; H26-L197 WeakPolarHBondContact CB-O 3.43Å; H26-I204 HydrophobicContact CB-CD1 3.77Å
27F96.8Very high83.5Confident0 Ų049.8 Ų49.80%025%0.25CS..EExtended strand (participates in β ladder)trans-93.2142.7165.3-74.5-71.6000110.9W24 L57 W58 P59 A116 H120 I123 C196 L197 L201W24-F27 AromaticContact CH2-CD2 3.68Å; W24-F27 HydrophobicContact CH2-CD2 3.68Å; W24-F27 HydrophobicContact CH2-CE1 4.25Å; W24-F27 AromaticContact CH2-CE2 3.16Å; W24-F27 HydrophobicContact CH2-CE2 3.16Å; W24-F27 HydrophobicContact CH2-CG 4.4Å; W24-F27 AromaticContact CH2-CZ 3.48Å; W24-F27 HydrophobicContact CH2-CZ 3.48Å; W24-F27 VanDerWaalsContact CH2-CZ 3.48Å; W24-F27 HydrophobicContact CZ2-CE1 4.46Å; W24-F27 AromaticContact CZ2-CE2 3.89Å; W24-F27 HydrophobicContact CZ2-CE2 3.89Å; W24-F27 AromaticContact CZ2-CZ 3.74Å; W24-F27 HydrophobicContact CZ2-CZ 3.74Å; W24-F27 HydrophobicContact CZ3-CD1 4.48Å; W24-F27 AromaticContact CZ3-CD2 3.69Å; W24-F27 HydrophobicContact CZ3-CD2 3.69Å; W24-F27 HydrophobicContact CZ3-CE1 4.47Å; W24-F27 AromaticContact CZ3-CE2 3.69Å; W24-F27 HydrophobicContact CZ3-CE2 3.69Å; W24-F27 HydrophobicContact CZ3-CG 4.1Å; W24-F27 HydrophobicContact CZ3-CZ 4.08Å; F27-L57 HydrophobicContact CB-CD1 3.7Å; F27-L57 HydrophobicContact CD1-CD1 3.79Å; F27-L57 HydrophobicContact CD1-CD2 4.21Å; F27-L57 HydrophobicContact CD1-CG 3.67Å; F27-L57 HydrophobicContact CE1-CD2 4.18Å; F27-L57 HydrophobicContact CE1-CG 4.07Å; F27-L57 HydrophobicContact CG-CD1 3.81Å; F27-L57 HydrophobicContact CG-CG 4.2Å; F27-W58 CarbonylContact C-O 3.52Å; F27-W58 WeakPolarHBondContact CA-O 3.33Å; F27-P59 HydrophobicContact CD1-CG 4.17Å; F27-P59 HydrophobicContact CE1-CB 4.5Å; F27-P59 HydrophobicContact CE1-CG 3.7Å; F27-A116 HydrophobicContact CE1-CB 4.01Å; F27-A116 HydrophobicContact CZ-CB 4.01Å; F27-H120 AromaticContact CE2-CD2 3.67Å; F27-I123 HydrophobicContact CZ-CD1 3.82Å; F27-C196 CarbonylContact O-C 3.51Å; F27-C196 VanDerWaalsContact O-CA 3.24Å; F27-C196 WeakPolarHBondContact O-CA 3.43Å; F27-L197 HydrophobicContact CB-CB 4.35Å; F27-L197 HydrophobicContact CB-CD1 4.21Å; F27-L197 PolarHBondContact N-O 3.23Å; F27-L197 PolarHBondContact O-N 3.39Å; F27-L201 HydrophobicContact CD2-CD2 3.8Å; F27-L201 HydrophobicContact CE2-CD2 3.82Å
28V97.5Very high86Confident11 Ų1143.4 Ų43.47%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-104.4110.1162.21780000107.5W58 S60 R194V28-W58 HydrophobicContact CB-CE3 4.44Å; V28-W58 HydrophobicContact CG1-CE3 4.19Å; V28-W58 PolarHBondContact N-O 3.41Å; V28-W58 PolarHBondContact O-N 3.06Å; V28-S60 WeakPolarHBondContact CG2-OG 3.49Å; V28-R194 HydrophobicContact CG1-CB 3.87Å; V28-R194 HydrophobicContact CG1-CG 4.24Å
29F98.7Very high88.2Confident0 Ų039.7 Ų39.70%020%0.196CC..EExtended strand (participates in β ladder)trans-93.6112.8174.9-172.5-119.5000109.8L31 I54 L57 I136 K137 V140 R194 I195 L197F29-L31 HydrophobicContact CD1-CD1 4.37Å; F29-L31 HydrophobicContact CD1-CD2 4.21Å; F29-L31 HydrophobicContact CD1-CG 4.08Å; F29-L31 HydrophobicContact CE1-CD1 4.04Å; F29-L31 HydrophobicContact CE1-CD2 3.51Å; F29-L31 HydrophobicContact CE1-CG 3.82Å; F29-L31 HydrophobicContact CZ-CD2 3.84Å; F29-I54 HydrophobicContact CE2-CD1 4.45Å; F29-I54 HydrophobicContact CE2-CG1 4.29Å; F29-I54 HydrophobicContact CE2-CG2 3.86Å; F29-I54 HydrophobicContact CZ-CD1 4.14Å; F29-I54 HydrophobicContact CZ-CG1 3.86Å; F29-I54 HydrophobicContact CZ-CG2 4.25Å; F29-L57 HydrophobicContact CB-CD1 4.06Å; F29-L57 HydrophobicContact CD2-CB 4.11Å; F29-L57 HydrophobicContact CD2-CD1 3.77Å; F29-L57 HydrophobicContact CG-CD1 4.35Å; F29-I136 HydrophobicContact CB-CG2 4.38Å; F29-I136 HydrophobicContact CD1-CG2 3.5Å; F29-I136 VanDerWaalsContact CD1-CG2 3.5Å; F29-I136 HydrophobicContact CD2-CG2 4.11Å; F29-I136 HydrophobicContact CE1-CB 4.31Å; F29-I136 HydrophobicContact CE1-CG2 3.59Å; F29-I136 HydrophobicContact CE2-CB 4.36Å; F29-I136 HydrophobicContact CE2-CG2 4.2Å; F29-I136 HydrophobicContact CG-CG2 3.74Å; F29-I136 HydrophobicContact CZ-CB 4.19Å; F29-I136 HydrophobicContact CZ-CG2 3.94Å; F29-K137 HydrophobicContact CE1-CB 4.37Å; F29-K137 HydrophobicContact CZ-CB 3.95Å; F29-V140 HydrophobicContact CD1-CG2 4.27Å; F29-V140 HydrophobicContact CE1-CG2 4.33Å; F29-R194 VanDerWaalsContact O-CA 3.29Å; F29-R194 WeakPolarHBondContact O-CA 3.43Å; F29-I195 PolarHBondContact N-O 2.77Å; F29-I195 PolarHBondContact O-N 3.46Å; F29-L197 HydrophobicContact CB-CD1 3.52Å
30S98.7Very high90.3Very high0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-101.3123.7-174.7177.20000111.6H55 G56 E192S30-H55 PolarHBondContact O-N 3.4Å; S30-H55 WeakPolarHBondContact OG-CB 3.33Å; S30-G56 PolarHBondContact N-O 3.44Å; S30-G56 PolarHBondContact O-N 3.31Å; S30-E192 VanDerWaalsContact OG-CG 3.24Å; S30-E192 WeakPolarHBondContact OG-CG 3.18Å; S30-E192 PolarHBondContact OG-OE1 3.33Å
31L98.9Very high91.8Very high0 Ų035 Ų350%016%0.16CC..EExtended strand (participates in β ladder)trans-115.9114.8175.8-65.9-179.4000109.8F29 F52 N53 I54 K137 V140 L142 E192 I193F29-L31 HydrophobicContact CD1-CD1 4.37Å; F29-L31 HydrophobicContact CD1-CD2 4.21Å; F29-L31 HydrophobicContact CD1-CG 4.08Å; F29-L31 HydrophobicContact CE1-CD1 4.04Å; F29-L31 HydrophobicContact CE1-CD2 3.51Å; F29-L31 HydrophobicContact CE1-CG 3.82Å; F29-L31 HydrophobicContact CZ-CD2 3.84Å; L31-F52 HydrophobicContact CB-CB 4.19Å; L31-F52 HydrophobicContact CB-CD1 4.2Å; L31-F52 HydrophobicContact CB-CG 4.49Å; L31-N53 CarbonylContact C-O 3.49Å; L31-N53 WeakPolarHBondContact CA-O 3.5Å; L31-I54 HydrophobicContact CD2-CG1 4.03Å; L31-K137 HydrophobicContact CD1-CD 4.3Å; L31-K137 HydrophobicContact CD2-CD 3.55Å; L31-V140 HydrophobicContact CD1-CG1 3.67Å; L31-L142 HydrophobicContact CB-CD2 4.17Å; L31-L142 HydrophobicContact CD1-CB 3.95Å; L31-L142 HydrophobicContact CD1-CD2 3.73Å; L31-E192 CarbonylContact O-C 2.98Å; L31-E192 VanDerWaalsContact O-CA 3.29Å; L31-E192 WeakPolarHBondContact O-CA 3.45Å; L31-E192 WeakPolarHBondContact O-CG 3.25Å; L31-I193 PolarHBondContact N-O 3.06Å; L31-I193 PolarHBondContact O-N 3.44Å
32E98.2Very high92.7Very high10 Ų1031.5 Ų31.55%0.04715%0.152CC..EExtended strand (participates in β ladder)trans-96.1154.3178.867.3-179.6171.800111.9P34 Y37 F52 N53 H55 L95 S191 E192E32-P34 WeakPolarHBondContact O-CD 3.25Å; E32-Y37 WeakPolarHBondContact OE2-CD2 3.44Å; E32-F52 WeakPolarHBondContact O-CA 3.3Å; E32-N53 HydrophobicContact CG-CB 3.88Å; E32-N53 PolarHBondContact N-O 3.42Å; E32-N53 PolarHBondContact O-N 3.19Å; E32-N53 PolarHBondContact OE1-ND2 2.91Å; E32-H55 HydrophobicContact CB-CB 4.16Å; E32-H55 HydrophobicContact CG-CB 4.04Å; E32-L95 HydrophobicContact CG-CD1 4.05Å; E32-L95 VanDerWaalsContact OE1-CD1 3.29Å; E32-L95 WeakPolarHBondContact OE1-CD1 2.98Å; E32-S191 CarbonylContact C-O 3.51Å; E32-S191 WeakPolarHBondContact CA-O 3.49Å; E32-E192 HydrophobicContact CB-CG 4.36Å
33W98.2Very high93.6Very high0 Ų026.7 Ų26.70%014%0.139CC..  trans-105.2105.7-177.1-171.5-119.3000111.1P35 T36 Y37 F52 L143 P153 S191 F266 P267 F269W33-P35 HydrophobicContact CD2-CG 4.4Å; W33-P35 HydrophobicContact CZ2-CG 4.08Å; W33-T36 PolarHBondContact O-N 2.89Å; W33-Y37 PolarHBondContact O-N 3.24Å; W33-Y37 VanDerWaalsContact O-N 3.08Å; W33-F52 HydrophobicContact CB-CD1 4.25Å; W33-F52 HydrophobicContact CB-CE1 3.97Å; W33-F52 HydrophobicContact CD2-CD1 4.5Å; W33-F52 HydrophobicContact CD2-CE1 4.21Å; W33-F52 HydrophobicContact CD2-CZ 4.25Å; W33-F52 HydrophobicContact CE3-CB 4.42Å; W33-F52 AromaticContact CE3-CD1 3.67Å; W33-F52 HydrophobicContact CE3-CD1 3.67Å; W33-F52 AromaticContact CE3-CD2 3.62Å; W33-F52 HydrophobicContact CE3-CD2 3.62Å; W33-F52 AromaticContact CE3-CE1 3.68Å; W33-F52 HydrophobicContact CE3-CE1 3.68Å; W33-F52 AromaticContact CE3-CE2 3.62Å; W33-F52 HydrophobicContact CE3-CE2 3.62Å; W33-F52 AromaticContact CE3-CG 3.63Å; W33-F52 HydrophobicContact CE3-CG 3.63Å; W33-F52 AromaticContact CE3-CZ 3.65Å; W33-F52 HydrophobicContact CE3-CZ 3.65Å; W33-F52 HydrophobicContact CG-CE1 4.36Å; W33-F52 HydrophobicContact CZ3-CD1 4.44Å; W33-F52 AromaticContact CZ3-CD2 3.54Å; W33-F52 HydrophobicContact CZ3-CD2 3.54Å; W33-F52 HydrophobicContact CZ3-CE1 4.49Å; W33-F52 AromaticContact CZ3-CE2 3.59Å; W33-F52 HydrophobicContact CZ3-CE2 3.59Å; W33-F52 AromaticContact CZ3-CG 3.99Å; W33-F52 HydrophobicContact CZ3-CG 3.99Å; W33-F52 HydrophobicContact CZ3-CZ 4.08Å; W33-L143 HydrophobicContact CH2-CD1 4.1Å; W33-L143 HydrophobicContact CH2-CD2 4.26Å; W33-L143 HydrophobicContact CZ3-CD1 4.43Å; W33-L143 HydrophobicContact CZ3-CD2 4.46Å; W33-P153 HydrophobicContact CH2-CG 3.76Å; W33-P153 HydrophobicContact CZ2-CB 4.01Å; W33-P153 HydrophobicContact CZ2-CG 3.61Å; W33-S191 PolarHBondContact N-O 2.81Å; W33-F266 HydrophobicContact CD2-CD2 4.33Å; W33-F266 AromaticContact CD2-CE2 3.6Å; W33-F266 HydrophobicContact CD2-CE2 3.6Å; W33-F266 AromaticContact CE2-CD2 3.85Å; W33-F266 AromaticContact CE2-CE2 3.31Å; W33-F266 AromaticContact CE3-CE2 3.93Å; W33-F266 HydrophobicContact CE3-CE2 3.93Å; W33-F266 HydrophobicContact CE3-CZ 4.5Å; W33-F266 HydrophobicContact CG-CE2 4.19Å; W33-F266 AromaticContact CH2-CE2 3.7Å; W33-F266 HydrophobicContact CH2-CE2 3.7Å; W33-F266 AromaticContact CH2-CZ 3.81Å; W33-F266 HydrophobicContact CH2-CZ 3.81Å; W33-F266 HydrophobicContact CZ2-CD2 4.13Å; W33-F266 AromaticContact CZ2-CE2 3.4Å; W33-F266 HydrophobicContact CZ2-CE2 3.4Å; W33-F266 AromaticContact CZ2-CZ 3.9Å; W33-F266 HydrophobicContact CZ2-CZ 3.9Å; W33-F266 AromaticContact CZ3-CE2 3.96Å; W33-F266 HydrophobicContact CZ3-CE2 3.96Å; W33-F266 HydrophobicContact CZ3-CZ 4.14Å; W33-F266 AromaticContact NE1-CD2 3.8Å; W33-F266 AromaticContact NE1-CE2 3.75Å; W33-P267 WeakPolarHBondContact CZ2-O 3.49Å; W33-P267 PolarHBondContact NE1-O 2.72Å; W33-F269 HydrophobicContact CH2-CD2 4.03Å; W33-F269 AromaticContact CH2-CE2 3.26Å; W33-F269 HydrophobicContact CH2-CE2 3.26Å; W33-F269 HydrophobicContact CH2-CZ 4.03Å; W33-F269 HydrophobicContact CZ2-CD2 4.01Å; W33-F269 AromaticContact CZ2-CE2 3.58Å; W33-F269 HydrophobicContact CZ2-CE2 3.58Å; W33-F269 HydrophobicContact CZ2-CZ 4.33Å; W33-F269 AromaticContact CZ3-CE2 3.78Å; W33-F269 HydrophobicContact CZ3-CE2 3.78Å; W33-F269 HydrophobicContact CZ3-CZ 4.13Å
34P97.5Very high93.7Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-55.5-39-172-24.732.8000115.5E32 T36 Y37 C38 I45 I49 N53 L95 F269E32-P34 WeakPolarHBondContact O-CD 3.25Å; P34-T36 VanDerWaalsContact C-N 3.29Å; P34-T36 PolarHBondContact O-N 3.33Å; P34-Y37 WeakPolarHBondContact O-CB 3.48Å; P34-Y37 PolarHBondContact O-N 2.84Å; P34-C38 PolarHBondContact O-N 3.43Å; P34-I45 VanDerWaalsContact C-CD1 3.49Å; P34-I45 HydrophobicContact CB-CD1 3.9Å; P34-I45 HydrophobicContact CB-CG1 4.17Å; P34-I45 HydrophobicContact CB-CG2 4.22Å; P34-I49 HydrophobicContact CB-CG2 4.35Å; P34-I49 HydrophobicContact CG-CG2 3.81Å; P34-N53 HydrophobicContact CG-CB 4.11Å; P34-L95 HydrophobicContact CB-CD1 4Å; P34-L95 HydrophobicContact CB-CD2 4.04Å; P34-L95 HydrophobicContact CG-CD1 4.08Å; P34-L95 HydrophobicContact CG-CD2 4.07Å; P34-F269 HydrophobicContact CB-CE1 3.97Å; P34-F269 HydrophobicContact CB-CZ 4.49Å; P34-F269 HydrophobicContact CG-CE1 4.11Å; P34-F269 HydrophobicContact CG-CZ 4.24Å
35P96.8Very high93.8Very high12 Ų1233.3 Ų33.38%0.07817%0.168CC..Hα-helixtrans-58-38.1176-28.737.6000114W33 F39 I45 P267 K268 F269W33-P35 HydrophobicContact CD2-CG 4.4Å; W33-P35 HydrophobicContact CZ2-CG 4.08Å; P35-F39 VanDerWaalsContact O-CB 3.22Å; P35-F39 WeakPolarHBondContact O-CB 3.42Å; P35-F39 PolarHBondContact O-N 2.84Å; P35-I45 HydrophobicContact CB-CD1 4.43Å; P35-I45 HydrophobicContact CG-CD1 4.15Å; P35-P267 HydrophobicContact CB-CB 4.26Å; P35-P267 HydrophobicContact CB-CG 4.07Å; P35-K268 WeakPolarHBondContact CB-O 3.43Å; P35-F269 HydrophobicContact CG-CB 4.4Å; P35-F269 HydrophobicContact CG-CD1 3.77Å; P35-F269 HydrophobicContact CG-CD2 4.05Å; P35-F269 HydrophobicContact CG-CE1 3.92Å; P35-F269 HydrophobicContact CG-CE2 4.2Å; P35-F269 HydrophobicContact CG-CG 3.81Å; P35-F269 HydrophobicContact CG-CZ 4.11Å
36T95.9Very high93.7Very high0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-74.1-42.7175.5-62.90000111W33 P34 C38 F39 I40 R189 L190 P267W33-T36 PolarHBondContact O-N 2.89Å; P34-T36 VanDerWaalsContact C-N 3.29Å; P34-T36 PolarHBondContact O-N 3.33Å; T36-C38 PolarHBondContact O-N 2.91Å; T36-F39 WeakPolarHBondContact O-CB 3.06Å; T36-F39 PolarHBondContact O-N 3.4Å; T36-I40 WeakPolarHBondContact O-CG1 3.45Å; T36-I40 PolarHBondContact O-N 3.32Å; T36-R189 HydrophobicContact CG2-CB 3.78Å; T36-R189 WeakPolarHBondContact OG1-CB 3.46Å; T36-L190 WeakPolarHBondContact CB-O 2.91Å; T36-L190 PolarHBondContact OG1-O 3.5Å; T36-P267 WeakPolarHBondContact OG1-CG 3.06Å
37Y94.9Very high93.5Very high45 Ų4543.1 Ų43.118%0.17621%0.207CC..Hα-helixtrans-54.3-54176.1-172.4-82.3000111.4E32 W33 P34 F39 I40 Q41 L95 I96E32-Y37 WeakPolarHBondContact OE2-CD2 3.44Å; W33-Y37 PolarHBondContact O-N 3.24Å; W33-Y37 VanDerWaalsContact O-N 3.08Å; P34-Y37 WeakPolarHBondContact O-CB 3.48Å; P34-Y37 PolarHBondContact O-N 2.84Å; Y37-F39 VanDerWaalsContact C-N 3.33Å; Y37-F39 PolarHBondContact O-N 3.06Å; Y37-I40 PolarHBondContact O-N 2.04Å; Y37-Q41 HydrophobicContact CD1-CB 4.38Å; Y37-Q41 HydrophobicContact CD1-CG 4.27Å; Y37-Q41 HydrophobicContact CE1-CB 3.99Å; Y37-Q41 HydrophobicContact CE1-CG 3.76Å; Y37-Q41 HydrophobicContact CE2-CG 4.47Å; Y37-Q41 PolarHBondContact O-N 3.35Å; Y37-L95 HydrophobicContact CD1-CB 3.6Å; Y37-L95 HydrophobicContact CD1-CD1 3.95Å; Y37-L95 HydrophobicContact CD1-CG 4.46Å; Y37-L95 HydrophobicContact CD2-CD1 4.04Å; Y37-L95 HydrophobicContact CE1-CB 3.64Å; Y37-L95 HydrophobicContact CG-CB 4.14Å; Y37-L95 HydrophobicContact CG-CD1 3.65Å; Y37-I96 HydrophobicContact CE1-CG1 4.05Å; Y37-I96 VanDerWaalsContact OH-CD1 3.26Å; Y37-I96 WeakPolarHBondContact OH-CD1 3.46Å; Y37-I96 WeakPolarHBondContact OH-CG1 3.47Å
38C93.2Very high93.2Very high13 Ų1345.8 Ų45.89%0.08823%0.226CC..Hα-helixtrans-73.2-21.9-179.8-73.30000113.9P34 T36 I40 T42 C43 I45P34-C38 PolarHBondContact O-N 3.43Å; T36-C38 PolarHBondContact O-N 2.91Å; C38-I40 VanDerWaalsContact C-N 3.3Å; C38-T42 WeakPolarHBondContact O-CA 3.16Å; C38-T42 PolarHBondContact O-N 2.95Å; C38-C43 WeakPolarHBondContact CA-SG 3.45Å; C38-C43 HydrophobicContact CB-CB 4.11Å; C38-C43 WeakPolarHBondContact CB-O 3.31Å; C38-C43 WeakPolarHBondContact CB-SG 3.49Å; C38-C43 PolarHBondContact O-N 3.4Å; C38-C43 WeakPolarHBondContact SG-CB 3.28Å; C38-C43 CovalentContact SG-SG 2.04Å; C38-C43 PolarHBondContact SG-SG 3.12Å; C38-I45 HydrophobicContact CB-CD1 4.22Å; C38-I45 HydrophobicContact CB-CG1 3.98Å; C38-I45 WeakPolarHBondContact SG-CG1 3.37Å
39F89.9Confident93Very high48 Ų4845.7 Ų45.721%0.21123%0.225CC..Hα-helixtrans-64.5-36.4166.2167.3-99.9000111.7P35 T36 Y37 R183 R189P35-F39 VanDerWaalsContact O-CB 3.22Å; P35-F39 WeakPolarHBondContact O-CB 3.42Å; P35-F39 PolarHBondContact O-N 2.84Å; T36-F39 WeakPolarHBondContact O-CB 3.06Å; T36-F39 PolarHBondContact O-N 3.4Å; Y37-F39 VanDerWaalsContact C-N 3.33Å; Y37-F39 PolarHBondContact O-N 3.06Å; F39-R183 HydrophobicContact CE1-CB 4.44Å; F39-R183 HydrophobicContact CE1-CG 3.84Å; F39-R183 HydrophobicContact CZ-CB 4.22Å; F39-R183 HydrophobicContact CZ-CG 3.83Å; F39-R183 PolarHBondContact O-NE 2.98Å; F39-R183 PolarHBondContact O-NH2 2.82Å; F39-R189 VanDerWaalsContact CE1-NH1 3.33Å
40I89.7Confident92.9Very high10 Ų1050.6 Ų50.65%0.05125%0.251CS..Hα-helixtrans-79-58.1177.9-62.4-49.5000111.4T36 Y37 C38 T42 R183 L254T36-I40 WeakPolarHBondContact O-CG1 3.45Å; T36-I40 PolarHBondContact O-N 3.32Å; Y37-I40 PolarHBondContact O-N 2.04Å; C38-I40 VanDerWaalsContact C-N 3.3Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.02Å; I40-R183 HydrophobicContact CD1-CG 4.19Å; I40-R183 PolarHBondContact O-NH2 2.91Å; I40-L254 HydrophobicContact CD1-CD1 3.54Å; I40-L254 HydrophobicContact CG1-CD1 4.18Å; I40-L254 HydrophobicContact CG2-CD1 3.65Å; I40-L254 HydrophobicContact CG2-CD2 3.62Å; I40-L254 HydrophobicContact CG2-CG 4.28Å
41Q87.1Confident92.9Very high103 Ų10352 Ų5248%0.48126%0.259SS..Hα-helixtrans-82.2-8.1-172.4-61.4-67.637.900114.2Y37Y37-Q41 HydrophobicContact CD1-CB 4.38Å; Y37-Q41 HydrophobicContact CD1-CG 4.27Å; Y37-Q41 HydrophobicContact CE1-CB 3.99Å; Y37-Q41 HydrophobicContact CE1-CG 3.76Å; Y37-Q41 HydrophobicContact CE2-CG 4.47Å; Y37-Q41 PolarHBondContact O-N 3.35Å
42T82.8Confident92.9Very high114 Ų11452.1 Ų52.170%0.69926%0.259SS*.THydrogen-bonded Turntrans59.370.7-178.1-44.20000111.5C38 I40 R183C38-T42 WeakPolarHBondContact O-CA 3.16Å; C38-T42 PolarHBondContact O-N 2.95Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 3.02Å; T42-R183 PolarHBondContact OG1-NH2 2.91Å
43C87.5Confident92.9Very high37 Ų3751.7 Ų51.725%0.2526%0.257CS..  trans-123.4170.9174.146.40000112.4C38 L95C38-C43 WeakPolarHBondContact CA-SG 3.45Å; C38-C43 HydrophobicContact CB-CB 4.11Å; C38-C43 WeakPolarHBondContact CB-O 3.31Å; C38-C43 WeakPolarHBondContact CB-SG 3.49Å; C38-C43 PolarHBondContact O-N 3.4Å; C38-C43 WeakPolarHBondContact SG-CB 3.28Å; C38-C43 CovalentContact SG-SG 2.04Å; C38-C43 PolarHBondContact SG-SG 3.12Å; C43-L95 PolarHBondContact SG-O 3.48Å; C43-L95 VanDerWaalsContact SG-O 3.38Å
44K87.7Confident92.9Very high200 Ų20051.7 Ų51.787%0.8726%0.257SS*.  trans-106.8119.5172.7-68.9-176.8179.7178.60109P46K44-P46 WeakPolarHBondContact O-CD 3.03Å
45I92.1Very high93Very high37 Ų3753.6 Ų53.619%0.1927%0.266CS..  trans-77.9124.6177.1-53.4163.8000107.8P34 P35 C38 I49 F269P34-I45 VanDerWaalsContact C-CD1 3.49Å; P34-I45 HydrophobicContact CB-CD1 3.9Å; P34-I45 HydrophobicContact CB-CG1 4.17Å; P34-I45 HydrophobicContact CB-CG2 4.22Å; P35-I45 HydrophobicContact CB-CD1 4.43Å; P35-I45 HydrophobicContact CG-CD1 4.15Å; C38-I45 HydrophobicContact CB-CD1 4.22Å; C38-I45 HydrophobicContact CB-CG1 3.98Å; C38-I45 WeakPolarHBondContact SG-CG1 3.37Å; I45-I49 HydrophobicContact CG2-CB 3.86Å; I45-I49 HydrophobicContact CG2-CG2 4.07Å; I45-F269 HydrophobicContact CD1-CD1 4.13Å; I45-F269 HydrophobicContact CD1-CE1 4.41Å; I45-F269 HydrophobicContact CG2-CD1 4.1Å; I45-F269 HydrophobicContact CG2-CE1 4.06Å
46P90.8Very high93Very high39 Ų3953 Ų5325%0.25326%0.262SS..  trans-61.9145.1172.5-2233.6000111.6K44 S48 I49 F98K44-P46 WeakPolarHBondContact O-CD 3.03Å; P46-S48 PolarHBondContact O-N 3.03Å; P46-I49 PolarHBondContact O-N 3.36Å; P46-F98 HydrophobicContact CG-CB 3.91Å; P46-F98 HydrophobicContact CG-CD1 3.91Å; P46-F98 HydrophobicContact CG-CD2 3.8Å; P46-F98 HydrophobicContact CG-CE1 4.38Å; P46-F98 HydrophobicContact CG-CE2 4.27Å; P46-F98 HydrophobicContact CG-CG 3.59Å
47Y90.6Very high93.1Very high226 Ų22653 Ų5389%0.88626%0.262SS*.THydrogen-bonded Turntrans-59.2-21177.9-67.3-69000114.2I49Y47-I49 PolarHBondContact O-N 2.74Å
48S90Very high93.2Very high56 Ų5651.4 Ų51.439%0.39226%0.256SS..THydrogen-bonded Turntrans-69.3-17.417550.60000113.5P46P46-S48 PolarHBondContact O-N 3.03Å
49I94.3Very high93.4Very high9 Ų950.8 Ų50.85%0.04625%0.252CS..  trans-104.1112.9177.4-56.7-175.3000109P34 I45 P46 Y47 A93 L95 F98 F269P34-I49 HydrophobicContact CB-CG2 4.35Å; P34-I49 HydrophobicContact CG-CG2 3.81Å; I45-I49 HydrophobicContact CG2-CB 3.86Å; I45-I49 HydrophobicContact CG2-CG2 4.07Å; P46-I49 PolarHBondContact O-N 3.36Å; Y47-I49 PolarHBondContact O-N 2.74Å; I49-A93 HydrophobicContact CD1-CB 3.56Å; I49-L95 HydrophobicContact CD1-CD2 4.03Å; I49-F98 HydrophobicContact CD1-CD2 3.77Å; I49-F98 HydrophobicContact CD1-CE2 3.73Å; I49-F98 HydrophobicContact CG1-CD2 4.49Å; I49-F98 HydrophobicContact CG1-CE2 4.01Å; I49-F269 HydrophobicContact CG2-CE1 4.2Å; I49-F269 WeakPolarHBondContact O-CD1 3.17Å; I49-F269 VanDerWaalsContact O-CE1 3.3Å; I49-F269 WeakPolarHBondContact O-CE1 3.49Å
50N96.2Very high93.6Very high104 Ų10448.8 Ų48.856%0.55624%0.243SC*.  trans-140.821.3-178.162.7-2.4000113F269N50-F269 VanDerWaalsContact O-CE2 3.32Å; N50-F269 WeakPolarHBondContact O-CE2 3.24Å
51D98.1Very high93.7Very high29 Ų2951.1 Ų51.116%0.15526%0.255CS..SBendtrans-143174.4-179.7-1707.8000109.7N53 K137 L143 F269D51-N53 PolarHBondContact O-N 2.94Å; D51-K137 IonicContact OD1-NZ 3.86Å; D51-K137 IonicContact OD2-NZ 3.67Å; D51-K137 PolarHBondContact OD2-NZ 3.27Å; D51-L143 HydrophobicContact CB-CD2 4.47Å; D51-L143 WeakPolarHBondContact OD1-CB 3.25Å; D51-F269 VanDerWaalsContact N-CZ 3.28Å; D51-F269 WeakPolarHBondContact O-CZ 3.42Å
52F98.7Very high93.8Very high2 Ų250.8 Ų50.81%0.00925%0.25CC..PPolyproline II helixtrans-54134.9167.4-75.5-91000110.7L31 E32 W33 K137 L142 L143 L146 L190 I193 F266L31-F52 HydrophobicContact CB-CB 4.19Å; L31-F52 HydrophobicContact CB-CD1 4.2Å; L31-F52 HydrophobicContact CB-CG 4.49Å; E32-F52 WeakPolarHBondContact O-CA 3.3Å; W33-F52 HydrophobicContact CB-CD1 4.25Å; W33-F52 HydrophobicContact CB-CE1 3.97Å; W33-F52 HydrophobicContact CD2-CD1 4.5Å; W33-F52 HydrophobicContact CD2-CE1 4.21Å; W33-F52 HydrophobicContact CD2-CZ 4.25Å; W33-F52 HydrophobicContact CE3-CB 4.42Å; W33-F52 AromaticContact CE3-CD1 3.67Å; W33-F52 HydrophobicContact CE3-CD1 3.67Å; W33-F52 AromaticContact CE3-CD2 3.62Å; W33-F52 HydrophobicContact CE3-CD2 3.62Å; W33-F52 AromaticContact CE3-CE1 3.68Å; W33-F52 HydrophobicContact CE3-CE1 3.68Å; W33-F52 AromaticContact CE3-CE2 3.62Å; W33-F52 HydrophobicContact CE3-CE2 3.62Å; W33-F52 AromaticContact CE3-CG 3.63Å; W33-F52 HydrophobicContact CE3-CG 3.63Å; W33-F52 AromaticContact CE3-CZ 3.65Å; W33-F52 HydrophobicContact CE3-CZ 3.65Å; W33-F52 HydrophobicContact CG-CE1 4.36Å; W33-F52 HydrophobicContact CZ3-CD1 4.44Å; W33-F52 AromaticContact CZ3-CD2 3.54Å; W33-F52 HydrophobicContact CZ3-CD2 3.54Å; W33-F52 HydrophobicContact CZ3-CE1 4.49Å; W33-F52 AromaticContact CZ3-CE2 3.59Å; W33-F52 HydrophobicContact CZ3-CE2 3.59Å; W33-F52 AromaticContact CZ3-CG 3.99Å; W33-F52 HydrophobicContact CZ3-CG 3.99Å; W33-F52 HydrophobicContact CZ3-CZ 4.08Å; F52-K137 WeakPolarHBondContact O-CE 3.43Å; F52-L142 HydrophobicContact CD1-CD2 3.77Å; F52-L142 HydrophobicContact CD2-CB 4.06Å; F52-L142 HydrophobicContact CD2-CD2 3.75Å; F52-L142 HydrophobicContact CD2-CG 3.87Å; F52-L142 HydrophobicContact CE1-CD2 3.79Å; F52-L142 HydrophobicContact CE2-CB 4.42Å; F52-L142 HydrophobicContact CE2-CD2 3.77Å; F52-L142 HydrophobicContact CE2-CG 3.78Å; F52-L142 HydrophobicContact CG-CD2 3.76Å; F52-L142 HydrophobicContact CG-CG 4.37Å; F52-L142 HydrophobicContact CZ-CD2 3.79Å; F52-L142 HydrophobicContact CZ-CG 4.2Å; F52-L143 HydrophobicContact CD2-CB 4.11Å; F52-L143 HydrophobicContact CE2-CB 4.33Å; F52-L146 HydrophobicContact CE2-CD1 4.07Å; F52-L146 HydrophobicContact CZ-CD1 4.23Å; F52-L190 HydrophobicContact CE1-CD2 4.42Å; F52-L190 HydrophobicContact CZ-CD2 4.07Å; F52-I193 HydrophobicContact CE1-CD1 4.5Å; F52-I193 HydrophobicContact CE1-CG1 4.43Å; F52-I193 HydrophobicContact CZ-CD1 4.34Å; F52-F266 HydrophobicContact CE2-CE2 4.12Å; F52-F266 AromaticContact CE2-CZ 3.86Å; F52-F266 HydrophobicContact CE2-CZ 3.86Å; F52-F266 AromaticContact CZ-CE2 3.77Å; F52-F266 HydrophobicContact CZ-CE2 3.77Å; F52-F266 AromaticContact CZ-CZ 3.91Å; F52-F266 HydrophobicContact CZ-CZ 3.91Å
53N98.5Very high93.8Very high2 Ų248.4 Ų48.41%0.01124%0.237CC..EExtended strand (participates in β ladder)trans-91.2144.6174.6-173.852.2000109.7L31 E32 P34 D51 H55 Q91 W92 A93 L95L31-N53 CarbonylContact C-O 3.49Å; L31-N53 WeakPolarHBondContact CA-O 3.5Å; E32-N53 HydrophobicContact CG-CB 3.88Å; E32-N53 PolarHBondContact N-O 3.42Å; E32-N53 PolarHBondContact O-N 3.19Å; E32-N53 PolarHBondContact OE1-ND2 2.91Å; P34-N53 HydrophobicContact CG-CB 4.11Å; D51-N53 PolarHBondContact O-N 2.94Å; N53-H55 PolarHBondContact O-N 2.9Å; N53-Q91 PolarHBondContact OD1-O 3.16Å; N53-W92 WeakPolarHBondContact OD1-CA 3.26Å; N53-A93 PolarHBondContact ND2-O 3.09Å; N53-A93 PolarHBondContact OD1-N 2.95Å; N53-L95 HydrophobicContact CB-CD1 4.44Å; N53-L95 HydrophobicContact CB-CD2 4.43Å
54I98.9Very high93.5Very high0 Ų052.2 Ų52.20%025%0.25CS..EExtended strand (participates in β ladder)trans-69.3121.2166.7-57.9168.8000107.5F29 L31 Q91 W92 L134 K137F29-I54 HydrophobicContact CE2-CD1 4.45Å; F29-I54 HydrophobicContact CE2-CG1 4.29Å; F29-I54 HydrophobicContact CE2-CG2 3.86Å; F29-I54 HydrophobicContact CZ-CD1 4.14Å; F29-I54 HydrophobicContact CZ-CG1 3.86Å; F29-I54 HydrophobicContact CZ-CG2 4.25Å; L31-I54 HydrophobicContact CD2-CG1 4.03Å; I54-Q91 WeakPolarHBondContact CB-O 3.34Å; I54-Q91 HydrophobicContact CD1-CB 4.41Å; I54-Q91 VanDerWaalsContact CG1-O 3.25Å; I54-Q91 WeakPolarHBondContact CG1-O 3.43Å; I54-Q91 PolarHBondContact N-O 2.95Å; I54-W92 HydrophobicContact CB-CB 3.94Å; I54-W92 HydrophobicContact CB-CD2 3.85Å; I54-W92 HydrophobicContact CB-CE3 4.27Å; I54-W92 HydrophobicContact CB-CG 3.71Å; I54-W92 HydrophobicContact CD1-CB 4.23Å; I54-W92 HydrophobicContact CD1-CD2 4.48Å; I54-W92 HydrophobicContact CD1-CE3 4.15Å; I54-W92 HydrophobicContact CG2-CD2 3.44Å; I54-W92 VanDerWaalsContact CG2-CD2 3.44Å; I54-W92 HydrophobicContact CG2-CE3 3.68Å; I54-W92 HydrophobicContact CG2-CG 3.86Å; I54-W92 HydrophobicContact CG2-CH2 4.22Å; I54-W92 HydrophobicContact CG2-CZ2 4.03Å; I54-W92 HydrophobicContact CG2-CZ3 4.08Å; I54-W92 PolarHBondContact O-NE1 2.85Å; I54-L134 HydrophobicContact CD1-CD2 4.28Å; I54-K137 HydrophobicContact CD1-CB 3.73Å; I54-K137 HydrophobicContact CD1-CG 4.14Å; I54-K137 HydrophobicContact CG1-CB 4.01Å; I54-K137 HydrophobicContact CG1-CD 4.03Å; I54-K137 HydrophobicContact CG1-CG 4.08Å
55H98.5Very high93.5Very high40 Ų4046.6 Ų46.619%0.18523%0.233CC..EExtended strand (participates in β ladder)trans-85.3-49.5166.9-175.9176.3000108.9S30 E32 N53 W92 F104 E192S30-H55 PolarHBondContact O-N 3.4Å; S30-H55 WeakPolarHBondContact OG-CB 3.33Å; E32-H55 HydrophobicContact CB-CB 4.16Å; E32-H55 HydrophobicContact CG-CB 4.04Å; N53-H55 PolarHBondContact O-N 2.9Å; H55-W92 PolarHBondContact O-NE1 3.23Å; H55-W92 VanDerWaalsContact O-NE1 3.08Å; H55-F104 WeakPolarHBondContact O-CZ 3.32Å; H55-E192 IonicContact CE1-OE2 2.68Å; H55-E192 IonicContact ND1-OE1 3.9Å; H55-E192 IonicContact ND1-OE2 3.77Å; H55-E192 PolarHBondContact ND1-OE2 2.87Å; H55-E192 VanDerWaalsContact ND1-OE2 3.11Å
56G98.5Very high93.2Very high0 Ų047.1 Ų47.10%024%0.235CC..EExtended strand (participates in β ladder)trans-177.2173.3175.800000116.8S30S30-G56 PolarHBondContact N-O 3.44Å; S30-G56 PolarHBondContact O-N 3.31Å
57L98.2Very high93.3Very high0 Ų046.4 Ų46.40%023%0.23CC..EExtended strand (participates in β ladder)trans-125.8103.5176.4177.570.1000109.1F27 F29 P59 Y129 I132 S133 I136F27-L57 HydrophobicContact CB-CD1 3.7Å; F27-L57 HydrophobicContact CD1-CD1 3.79Å; F27-L57 HydrophobicContact CD1-CD2 4.21Å; F27-L57 HydrophobicContact CD1-CG 3.67Å; F27-L57 HydrophobicContact CE1-CD2 4.18Å; F27-L57 HydrophobicContact CE1-CG 4.07Å; F27-L57 HydrophobicContact CG-CD1 3.81Å; F27-L57 HydrophobicContact CG-CG 4.2Å; F29-L57 HydrophobicContact CB-CD1 4.06Å; F29-L57 HydrophobicContact CD2-CB 4.11Å; F29-L57 HydrophobicContact CD2-CD1 3.77Å; F29-L57 HydrophobicContact CG-CD1 4.35Å; L57-P59 WeakPolarHBondContact O-CD 3.33Å; L57-Y129 HydrophobicContact CB-CE2 3.95Å; L57-Y129 HydrophobicContact CD2-CD2 4.25Å; L57-Y129 HydrophobicContact CD2-CE2 4.02Å; L57-Y129 HydrophobicContact CG-CE2 4.2Å; L57-Y129 WeakPolarHBondContact O-CE2 3.32Å; L57-Y129 PolarHBondContact O-OH 3.27Å; L57-I132 HydrophobicContact CD2-CG2 4.15Å; L57-S133 WeakPolarHBondContact CB-OG 3.25Å; L57-S133 VanDerWaalsContact CD2-OG 3.31Å; L57-S133 WeakPolarHBondContact CD2-OG 3.33Å; L57-I136 HydrophobicContact CD1-CD1 3.87Å; L57-I136 HydrophobicContact CD2-CD1 4.07Å
58W97.1Very high93.3Very high11 Ų1140.3 Ų40.34%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-113.1114.2-166.1-50-33.4000112.2F27 V28 S60 E108 H112F27-W58 CarbonylContact C-O 3.52Å; F27-W58 WeakPolarHBondContact CA-O 3.33Å; V28-W58 HydrophobicContact CB-CE3 4.44Å; V28-W58 HydrophobicContact CG1-CE3 4.19Å; V28-W58 PolarHBondContact N-O 3.41Å; V28-W58 PolarHBondContact O-N 3.06Å; W58-S60 PolarHBondContact O-N 3.45Å; W58-S60 PolarHBondContact O-OG 3.22Å; W58-E108 PolarHBondContact NE1-OE2 3.05Å; W58-H112 AromaticContact CD1-CD2 3.49Å; W58-H112 VanDerWaalsContact CD1-CD2 3.49Å; W58-H112 AromaticContact CD1-CE1 3.86Å; W58-H112 AromaticContact CD1-CG 3.29Å; W58-H112 AromaticContact CD1-ND1 3.56Å; W58-H112 AromaticContact CD1-NE2 3.92Å; W58-H112 HydrophobicContact CG-CB 4.4Å; W58-H112 AromaticContact CG-CE1 3.96Å; W58-H112 AromaticContact CG-CG 3.95Å; W58-H112 AromaticContact CG-ND1 3.75Å; W58-H112 AromaticContact NE1-CD2 3.54Å; W58-H112 AromaticContact NE1-CG 3.86Å; W58-H112 AromaticContact NE1-NE2 3.81Å
59P95.5Very high93.4Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-48.6131161.1-27.235.3000110.4W24 F27 L57 P67 C115 A116W24-P59 HydrophobicContact CB-CB 3.97Å; W24-P59 HydrophobicContact CD2-CB 3.87Å; W24-P59 HydrophobicContact CE3-CB 4.44Å; W24-P59 HydrophobicContact CG-CB 3.61Å; F27-P59 HydrophobicContact CD1-CG 4.17Å; F27-P59 HydrophobicContact CE1-CB 4.5Å; F27-P59 HydrophobicContact CE1-CG 3.7Å; L57-P59 WeakPolarHBondContact O-CD 3.33Å; P59-P67 HydrophobicContact CB-CG 4.2Å; P59-P67 WeakPolarHBondContact O-CD 3.37Å; P59-C115 HydrophobicContact CB-CB 4.16Å; P59-C115 HydrophobicContact CG-CB 4.03Å; P59-A116 HydrophobicContact CG-CB 3.86Å
60S94.6Very high93.2Very high5 Ų543.4 Ų43.44%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-143.4142.2-171.4-640000111.4D25 H26 V28 W58 T65D25-S60 PolarHBondContact N-O 3.27Å; H26-S60 VanDerWaalsContact CE1-CB 3.45Å; H26-S60 WeakPolarHBondContact CE1-CB 3.27Å; H26-S60 PolarHBondContact N-O 2.99Å; H26-S60 VanDerWaalsContact N-O 3.08Å; H26-S60 PolarHBondContact ND1-O 3.27Å; H26-S60 WeakPolarHBondContact NE2-CB 3.03Å; H26-S60 PolarHBondContact O-N 3.2Å; V28-S60 WeakPolarHBondContact CG2-OG 3.49Å; W58-S60 PolarHBondContact O-N 3.45Å; W58-S60 PolarHBondContact O-OG 3.22Å; S60-T65 CarbonylContact C-O 3.58Å
61I92.2Very high92.5Very high59 Ų5944.1 Ų44.130%0.30323%0.234SC..BIsolated β-bridgetrans-107.7135.1176.6-57.9162.4000107.8Q23 W24 D25 H64 T65 P67Q23-I61 VanDerWaalsContact O-CD1 3.32Å; Q23-I61 WeakPolarHBondContact O-CD1 3.17Å; Q23-I61 WeakPolarHBondContact O-CG1 3.32Å; W24-I61 HydrophobicContact CB-CG1 4.36Å; D25-I61 WeakPolarHBondContact OD2-CA 3.32Å; I61-H64 PolarHBondContact O-N 2.61Å; I61-T65 WeakPolarHBondContact CA-O 3.28Å; I61-T65 HydrophobicContact CD1-CG2 4.38Å; I61-T65 PolarHBondContact N-O 3.05Å; I61-T65 PolarHBondContact O-N 2.73Å; I61-P67 HydrophobicContact CD1-CG 4.43Å
62W89.4Confident91Very high96 Ų9646.1 Ų46.136%0.36425%0.245SC..THydrogen-bonded Turntrans-62.6148.5176.6-65.8120.3000112.2D25 H26 I204 D205 F207D25-W62 HydrophobicContact CB-CG 4.34Å; D25-W62 PolarHBondContact OD2-N 3.08Å; H26-W62 HydrophobicContact CB-CZ2 4.33Å; H26-W62 AromaticContact CD2-CH2 3.87Å; H26-W62 AromaticContact CE1-CD2 3.66Å; H26-W62 AromaticContact CE1-CE2 3.89Å; H26-W62 AromaticContact CE1-CE3 3.37Å; H26-W62 AromaticContact CE1-CH2 3.68Å; H26-W62 AromaticContact CE1-CZ2 3.95Å; H26-W62 AromaticContact CE1-CZ3 3.33Å; H26-W62 WeakPolarHBondContact CE1-CZ3 3.49Å; H26-W62 AromaticContact CG-CH2 3.94Å; H26-W62 AromaticContact CG-CZ2 3.85Å; H26-W62 AromaticContact ND1-CD2 3.73Å; H26-W62 AromaticContact ND1-CE2 3.55Å; H26-W62 AromaticContact ND1-CE3 3.9Å; H26-W62 AromaticContact ND1-CH2 3.83Å; H26-W62 AromaticContact ND1-CZ2 3.65Å; H26-W62 AromaticContact ND1-CZ3 3.91Å; H26-W62 AromaticContact NE2-CE3 3.99Å; H26-W62 AromaticContact NE2-CH2 3.71Å; H26-W62 AromaticContact NE2-CZ3 3.49Å; H26-W62 WeakPolarHBondContact NE2-CZ3 3.33Å; W62-I204 HydrophobicContact CZ2-CD1 4.08Å; W62-D205 WeakPolarHBondContact CH2-O 3.27Å; W62-F207 HydrophobicContact CE3-CB 3.49Å; W62-F207 VanDerWaalsContact CE3-CB 3.49Å; W62-F207 HydrophobicContact CE3-CG 4.34Å; W62-F207 HydrophobicContact CH2-CB 4.19Å; W62-F207 HydrophobicContact CZ3-CB 3.24Å; W62-F207 HydrophobicContact CZ3-CG 4.47Å
63P83.7Confident89.6Confident65 Ų6556.1 Ų56.142%0.42228%0.283SS..THydrogen-bonded Turncis-80.6-26.8-7.730.3-33.7000113.7F207P63-F207 HydrophobicContact CB-CD1 3.76Å; P63-F207 HydrophobicContact CB-CD2 4.36Å; P63-F207 HydrophobicContact CB-CE1 3.58Å; P63-F207 HydrophobicContact CB-CE2 4.24Å; P63-F207 HydrophobicContact CB-CG 4.13Å; P63-F207 HydrophobicContact CB-CZ 3.85Å
64H79.7Confident88.8Confident116 Ų11657.7 Ų57.754%0.53729%0.293SS..THydrogen-bonded Turntrans-150.616.9-166-61.9-55.9000114.7I61 F207I61-H64 PolarHBondContact O-N 2.61Å; H64-F207 AromaticContact CE1-CD1 3.42Å; H64-F207 VanDerWaalsContact CE1-CD1 3.42Å; H64-F207 WeakPolarHBondContact CE1-CD1 3.45Å; H64-F207 AromaticContact CE1-CE1 3.94Å; H64-F207 AromaticContact NE2-CD1 3.48Å; H64-F207 WeakPolarHBondContact NE2-CD1 3.2Å; H64-F207 AromaticContact NE2-CE1 3.49Å; H64-F207 WeakPolarHBondContact NE2-CE1 3.2Å
65T87.7Confident88.3Confident83 Ų8362 Ų6251%0.50932%0.32SS..BIsolated β-bridgetrans-98.2122.8-175.4-65.20000110.2S60 I61S60-T65 CarbonylContact C-O 3.58Å; I61-T65 WeakPolarHBondContact CA-O 3.28Å; I61-T65 HydrophobicContact CD1-CG2 4.38Å; I61-T65 PolarHBondContact N-O 3.05Å; I61-T65 PolarHBondContact O-N 2.73Å
66E87.3Confident88.1Confident48 Ų4861.5 Ų61.522%0.22432%0.318CS..  trans-99.3112.1172.4-73.1164.3-167.600108.9K68 H112E66-K68 VanDerWaalsContact CB-CE 3.47Å; E66-K68 WeakPolarHBondContact O-CG 3.32Å; E66-K68 PolarHBondContact O-N 2.73Å; E66-K68 WeakPolarHBondContact OE2-CE 3.33Å; E66-K68 IonicContact OE2-NZ 3.74Å; E66-K68 PolarHBondContact OE2-NZ 2.91Å; E66-H112 IonicContact OE2-CE1 3.11Å
67P91.6Very high88Confident23 Ų2367.8 Ų67.815%0.14934%0.341CS..  trans-56.7135.3165.525-34.9000109.9W24 P59 I61 C115W24-P67 HydrophobicContact CB-CG 4.26Å; P59-P67 HydrophobicContact CB-CG 4.2Å; P59-P67 WeakPolarHBondContact O-CD 3.37Å; I61-P67 HydrophobicContact CD1-CG 4.43Å; P67-C115 HydrophobicContact CB-CB 4.43Å; P67-C115 HydrophobicContact CG-CB 4.37Å; P67-C115 PolarHBondContact O-SG 2.84Å
68K91.6Very high87.9Confident98 Ų9869.8 Ų69.843%0.42635%0.352SS..  trans-134.6145.4-174.7-71.5167.3-167.6-177.80110E66 C70 K111E66-K68 VanDerWaalsContact CB-CE 3.47Å; E66-K68 WeakPolarHBondContact O-CG 3.32Å; E66-K68 PolarHBondContact O-N 2.73Å; E66-K68 WeakPolarHBondContact OE2-CE 3.33Å; E66-K68 IonicContact OE2-NZ 3.74Å; E66-K68 PolarHBondContact OE2-NZ 2.91Å; K68-C70 VanDerWaalsContact C-N 3.28Å; K68-C70 PolarHBondContact O-N 3.23Å; K68-K111 CarbonylContact C-O 3.53Å; K68-K111 VanDerWaalsContact CA-O 3.3Å; K68-K111 WeakPolarHBondContact CA-O 3.31Å; K68-K111 HydrophobicContact CB-CG 4.32Å; K68-K111 HydrophobicContact CG-CG 4.18Å
69N90.7Very high87.9Confident112 Ų11275.2 Ų75.260%0.59938%0.378SS*.SBendtrans54.641.9174.8-49.1-53.9000112.9K111N69-K111 PolarHBondContact N-O 2.71Å
70C90.9Very high87.9Confident19 Ų1977.9 Ų77.913%0.12839%0.392CS..  trans-58.4148.1-176.5-62.90000112.5K68 N72 V114 C115K68-C70 VanDerWaalsContact C-N 3.28Å; K68-C70 PolarHBondContact O-N 3.23Å; C70-N72 PolarHBondContact O-N 3.02Å; C70-V114 HydrophobicContact CB-CG2 4.33Å; C70-C115 HydrophobicContact CB-CB 3.92Å; C70-C115 WeakPolarHBondContact CB-SG 3Å; C70-C115 WeakPolarHBondContact SG-CA 3.38Å; C70-C115 WeakPolarHBondContact SG-CB 3.4Å; C70-C115 CovalentContact SG-SG 2.04Å; C70-C115 PolarHBondContact SG-SG 2.81Å
71S80.7Confident88.1Confident118 Ų11877.7 Ų77.783%0.82539%0.39SS*.SBendtrans-63.8-13.9-167.8-570000115.4R73S71-R73 PolarHBondContact O-N 2.87Å
72N68.3Low88.4Confident71 Ų7181 Ų8138%0.3840%0.402SS..  trans-77.772.9174.9-161.22.8000110.4C70 T74 I117C70-N72 PolarHBondContact O-N 3.02Å; N72-T74 PolarHBondContact O-N 2.05Å; N72-I117 VanDerWaalsContact ND2-CG2 3.33Å; N72-I117 WeakPolarHBondContact ND2-CG2 3.46Å
73R68Low88.8Confident213 Ų21381.4 Ų81.480%0.80442%0.418SS*.  trans-76.857.3-171.6-61.7-177.4-176.5-148.30.4112.6S71 P75S71-R73 PolarHBondContact O-N 2.87Å; R73-P75 WeakPolarHBondContact O-CD 3.47Å
74T81.2Confident89.5Confident35 Ų3579.1 Ų79.122%0.21540%0.402CS..  trans-60.3111.2165-58.10000107.3N72 F76 W109N72-T74 PolarHBondContact O-N 2.05Å; T74-F76 PolarHBondContact O-N 3Å; T74-W109 HydrophobicContact CG2-CZ2 4.36Å; T74-W109 PolarHBondContact O-NE1 2.92Å
75P88.4Confident90.4Very high89 Ų8976 Ų7658%0.57839%0.386SS*.  trans-66.9140.2-174.828.4-33.8000109.1R73 R77R73-P75 WeakPolarHBondContact O-CD 3.47Å; P75-R77 PolarHBondContact O-N 2.87Å
76F94.6Very high90.8Very high31 Ų3178 Ų7814%0.13639%0.393CS..  trans-58.7126171.7-178.7-100.8000110.4T74 I78 I81 W105 K106 W109 E126 F130T74-F76 PolarHBondContact O-N 3Å; F76-I78 HydrophobicContact CE1-CB 4.22Å; F76-I78 HydrophobicContact CE1-CD1 4.45Å; F76-I78 HydrophobicContact CZ-CD1 4.35Å; F76-I81 HydrophobicContact CE2-CD1 3.87Å; F76-I81 HydrophobicContact CZ-CD1 3.58Å; F76-I81 HydrophobicContact CZ-CG1 4.37Å; F76-W105 HydrophobicContact CE2-CB 4.11Å; F76-W105 HydrophobicContact CZ-CB 3.99Å; F76-K106 HydrophobicContact CB-CB 4.36Å; F76-K106 HydrophobicContact CB-CG 3.93Å; F76-K106 HydrophobicContact CD1-CB 3.67Å; F76-K106 HydrophobicContact CD1-CD 4.28Å; F76-K106 HydrophobicContact CD1-CG 3.92Å; F76-K106 HydrophobicContact CD2-CB 4.43Å; F76-K106 HydrophobicContact CE1-CB 3.96Å; F76-K106 HydrophobicContact CG-CB 3.9Å; F76-K106 HydrophobicContact CG-CG 4.01Å; F76-K106 HydrophobicContact CZ-CB 4.45Å; F76-W109 HydrophobicContact CD2-CB 3.93Å; F76-W109 HydrophobicContact CD2-CG 4.07Å; F76-E126 HydrophobicContact CD2-CB 4.38Å; F76-E126 HydrophobicContact CD2-CG 4.5Å; F76-F130 AromaticContact CE2-CE2 3.9Å; F76-F130 HydrophobicContact CE2-CE2 3.9Å; F76-F130 HydrophobicContact CE2-CZ 4.39Å
77R96Very high91.3Very high131 Ų13180 Ų8049%0.49441%0.405SS..  trans-123.1111.5172.6-65.3176.8-69.5-172.4-3.9109.3P75 E79 L80 E126P75-R77 PolarHBondContact O-N 2.87Å; R77-E79 PolarHBondContact O-N 3.33Å; R77-E79 VanDerWaalsContact O-N 3.1Å; R77-L80 HydrophobicContact CB-CG 4.36Å; R77-L80 VanDerWaalsContact NH2-CD1 3.29Å; R77-L80 PolarHBondContact O-N 2.95Å; R77-E126 WeakPolarHBondContact CA-OE1 3.27Å; R77-E126 WeakPolarHBondContact CB-OE1 2.84Å; R77-E126 PolarHBondContact N-OE1 3.34Å; R77-E126 IonicContact NE-OE1 3.76Å
78I96Very high91.6Very high43 Ų4379 Ų7922%0.22140%0.398CS..Hα-helixtrans-52.6-35.2177.3-174.160.2000112.7F76 L80 I81 K82 Y85 E102 W105F76-I78 HydrophobicContact CE1-CB 4.22Å; F76-I78 HydrophobicContact CE1-CD1 4.45Å; F76-I78 HydrophobicContact CZ-CD1 4.35Å; I78-L80 PolarHBondContact O-N 3.06Å; I78-I81 HydrophobicContact CD1-CD1 3.79Å; I78-I81 HydrophobicContact CD1-CG1 3.8Å; I78-I81 VanDerWaalsContact O-CG1 3.31Å; I78-I81 WeakPolarHBondContact O-CG1 3.48Å; I78-I81 PolarHBondContact O-N 3.31Å; I78-I81 VanDerWaalsContact O-N 3.09Å; I78-K82 PolarHBondContact O-N 2.96Å; I78-K82 VanDerWaalsContact O-N 3.08Å; I78-Y85 HydrophobicContact CD1-CD2 4.23Å; I78-Y85 HydrophobicContact CD1-CE2 4.24Å; I78-E102 HydrophobicContact CD1-CB 4.46Å; I78-E102 HydrophobicContact CD1-CG 3.73Å; I78-E102 HydrophobicContact CG1-CG 4.31Å; I78-W105 HydrophobicContact CD1-CE3 4.36Å; I78-W105 HydrophobicContact CD1-CZ3 4.33Å
79E97.5Very high91.8Very high125 Ų12576 Ų7658%0.58439%0.386SS*.Hα-helixtrans-60-28.5179-62.3-57.214900113.7R77 K82R77-E79 PolarHBondContact O-N 3.33Å; R77-E79 VanDerWaalsContact O-N 3.1Å; E79-K82 WeakPolarHBondContact OE2-CD 3.49Å; E79-K82 IonicContact OE2-NZ 3.37Å; E79-K82 PolarHBondContact OE2-NZ 2.79Å
80L97.1Very high92.1Very high56 Ų5676 Ų7629%0.29338%0.381SS..Hα-helixtrans-72.7-30.5177.8-74-171.4000112.7R77 I78 E126R77-L80 HydrophobicContact CB-CG 4.36Å; R77-L80 VanDerWaalsContact NH2-CD1 3.29Å; R77-L80 PolarHBondContact O-N 2.95Å; I78-L80 PolarHBondContact O-N 3.06Å; L80-E126 HydrophobicContact CB-CG 4.03Å; L80-E126 VanDerWaalsContact CD1-CD 3.49Å; L80-E126 HydrophobicContact CD1-CG 4.29Å; L80-E126 WeakPolarHBondContact CD1-OE1 3.02Å
81I97.8Very high92.4Very high0 Ų077.5 Ų77.50%039%0.386CS..Hα-helixtrans-98.6-4.2-17867.5164.6000112.9F76 I78 P83 I84 Y85 L88 W105 E126 F130F76-I81 HydrophobicContact CE2-CD1 3.87Å; F76-I81 HydrophobicContact CZ-CD1 3.58Å; F76-I81 HydrophobicContact CZ-CG1 4.37Å; I78-I81 HydrophobicContact CD1-CD1 3.79Å; I78-I81 HydrophobicContact CD1-CG1 3.8Å; I78-I81 VanDerWaalsContact O-CG1 3.31Å; I78-I81 WeakPolarHBondContact O-CG1 3.48Å; I78-I81 PolarHBondContact O-N 3.31Å; I78-I81 VanDerWaalsContact O-N 3.09Å; I81-P83 VanDerWaalsContact C-N 3.28Å; I81-I84 HydrophobicContact CB-CG1 4.27Å; I81-I84 CarbonylContact O-C 3.58Å; I81-I84 WeakPolarHBondContact O-CG1 3.3Å; I81-I84 PolarHBondContact O-N 2.87Å; I81-Y85 PolarHBondContact O-N 3.12Å; I81-Y85 VanDerWaalsContact O-N 3.15Å; I81-L88 HydrophobicContact CB-CD1 4.21Å; I81-L88 HydrophobicContact CD1-CD1 3.84Å; I81-W105 HydrophobicContact CD1-CD2 4.27Å; I81-W105 HydrophobicContact CD1-CE3 3.56Å; I81-W105 HydrophobicContact CD1-CZ3 4.09Å; I81-E126 HydrophobicContact CG2-CB 4.23Å; I81-E126 HydrophobicContact CG2-CG 3.8Å; I81-F130 HydrophobicContact CD1-CE2 4.45Å; I81-F130 HydrophobicContact CG2-CD2 3.63Å; I81-F130 HydrophobicContact CG2-CE2 4.22Å
82K97.6Very high93.2Very high128 Ų12871.9 Ų71.956%0.55735%0.346SS*.G310 helixtrans-48.9-39.6176.9-170.6175.9-169.7166.60114.3I78 E79 I84 Y85I78-K82 PolarHBondContact O-N 2.96Å; I78-K82 VanDerWaalsContact O-N 3.08Å; E79-K82 WeakPolarHBondContact OE2-CD 3.49Å; E79-K82 IonicContact OE2-NZ 3.37Å; E79-K82 PolarHBondContact OE2-NZ 2.79Å; K82-I84 PolarHBondContact O-N 2.8Å; K82-Y85 WeakPolarHBondContact O-CB 3.21Å; K82-Y85 PolarHBondContact O-N 2.84Å
83P98.2Very high94.6Very high106 Ų10668.5 Ų68.569%0.68833%0.328SS*.G310 helixtrans-61.1-24.3176.8-2536.4000114.7I81I81-P83 VanDerWaalsContact C-N 3.28Å
84I98.3Very high95.9Very high17 Ų1759.5 Ų59.59%0.08730%0.296CS..G310 helixtrans-114.713.8-178.461.4167.4000112.7I81 K82 N86 D87 L88 L127 F130 N131 L134I81-I84 HydrophobicContact CB-CG1 4.27Å; I81-I84 CarbonylContact O-C 3.58Å; I81-I84 WeakPolarHBondContact O-CG1 3.3Å; I81-I84 PolarHBondContact O-N 2.87Å; K82-I84 PolarHBondContact O-N 2.8Å; I84-N86 VanDerWaalsContact C-N 3.34Å; I84-N86 PolarHBondContact O-N 3.47Å; I84-D87 PolarHBondContact O-N 3.32Å; I84-D87 VanDerWaalsContact O-N 3.17Å; I84-L88 HydrophobicContact CD1-CD1 3.88Å; I84-L88 HydrophobicContact CD1-CG 4.14Å; I84-L88 HydrophobicContact CG1-CD1 3.92Å; I84-L88 HydrophobicContact CG1-CG 4.24Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 2.98Å; I84-L127 HydrophobicContact CD1-CD1 3.7Å; I84-L127 HydrophobicContact CG1-CD1 3.92Å; I84-L127 HydrophobicContact CG2-CD1 4.38Å; I84-F130 HydrophobicContact CD1-CB 3.64Å; I84-N131 WeakPolarHBondContact CG2-OD1 3.37Å; I84-L134 HydrophobicContact CB-CD1 4.41Å; I84-L134 HydrophobicContact CD1-CD1 4.13Å
85Y98Very high96.5Very high51 Ų5158.5 Ų58.520%0.229%0.29CS..Hα-helixtrans-54.5-47.6-175.2-174-79.4000112.3I78 I81 K82 D87 L88 Q89 E102 W105I78-Y85 HydrophobicContact CD1-CD2 4.23Å; I78-Y85 HydrophobicContact CD1-CE2 4.24Å; I81-Y85 PolarHBondContact O-N 3.12Å; I81-Y85 VanDerWaalsContact O-N 3.15Å; K82-Y85 WeakPolarHBondContact O-CB 3.21Å; K82-Y85 PolarHBondContact O-N 2.84Å; Y85-D87 PolarHBondContact O-N 3.14Å; Y85-L88 PolarHBondContact O-N 2.74Å; Y85-Q89 WeakPolarHBondContact O-CB 3.15Å; Y85-Q89 PolarHBondContact O-N 3.43Å; Y85-E102 HydrophobicContact CE2-CG 4.29Å; Y85-W105 HydrophobicContact CD1-CH2 4.48Å; Y85-W105 AromaticContact CD2-CH2 4Å; Y85-W105 HydrophobicContact CD2-CH2 4Å; Y85-W105 AromaticContact CD2-CZ3 3.65Å; Y85-W105 HydrophobicContact CD2-CZ3 3.65Å; Y85-W105 HydrophobicContact CE1-CH2 4.37Å; Y85-W105 AromaticContact CE2-CH2 3.91Å; Y85-W105 HydrophobicContact CE2-CH2 3.91Å; Y85-W105 AromaticContact CE2-CZ3 3.54Å; Y85-W105 HydrophobicContact CE2-CZ3 3.54Å; Y85-W105 HydrophobicContact CG-CH2 4.27Å; Y85-W105 HydrophobicContact CG-CZ3 4.34Å
86N96.4Very high96.6Very high124 Ų12460 Ų6066%0.66329%0.292SS*.Hα-helixtrans-67-36.3-178.3-68.9-20.5000112.5I84 Q89 K90I84-N86 VanDerWaalsContact C-N 3.34Å; I84-N86 PolarHBondContact O-N 3.47Å; N86-Q89 PolarHBondContact O-N 2.93Å; N86-K90 PolarHBondContact O-N 2.68Å; N86-K90 VanDerWaalsContact O-N 3.12Å
87D98Very high96.5Very high91 Ų9161.4 Ų61.449%0.48730%0.301SS..Hα-helixtrans-67.7-42.6176.4-68.7-36.9000110.5I84 Y85 K90 Q91 L134I84-D87 PolarHBondContact O-N 3.32Å; I84-D87 VanDerWaalsContact O-N 3.17Å; Y85-D87 PolarHBondContact O-N 3.14Å; D87-K90 PolarHBondContact O-N 3.01Å; D87-Q91 VanDerWaalsContact O-CB 3.32Å; D87-Q91 WeakPolarHBondContact O-CB 3.49Å; D87-Q91 WeakPolarHBondContact O-CG 2.9Å; D87-Q91 PolarHBondContact O-N 3.41Å; D87-L134 HydrophobicContact CB-CD1 3.97Å; D87-L134 HydrophobicContact CB-CD2 4.47Å
88L98.3Very high96.2Very high0 Ų057.2 Ų57.20%029%0.286CS..Hα-helixtrans-63.1-44.2173.4-70.6175000111.9I81 I84 Y85 K90 Q91 W92 A93 W105 F130 L134I81-L88 HydrophobicContact CB-CD1 4.21Å; I81-L88 HydrophobicContact CD1-CD1 3.84Å; I84-L88 HydrophobicContact CD1-CD1 3.88Å; I84-L88 HydrophobicContact CD1-CG 4.14Å; I84-L88 HydrophobicContact CG1-CD1 3.92Å; I84-L88 HydrophobicContact CG1-CG 4.24Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 2.98Å; Y85-L88 PolarHBondContact O-N 2.74Å; L88-K90 PolarHBondContact O-N 2.72Å; L88-Q91 PolarHBondContact O-N 2.74Å; L88-W92 HydrophobicContact CD2-CB 4.03Å; L88-W92 HydrophobicContact CD2-CE3 4.13Å; L88-W92 CarbonylContact O-C 3.17Å; L88-W92 VanDerWaalsContact O-CA 3.23Å; L88-W92 WeakPolarHBondContact O-CA 2.95Å; L88-W92 PolarHBondContact O-N 3.45Å; L88-A93 PolarHBondContact O-N 2.75Å; L88-W105 HydrophobicContact CB-CH2 3.81Å; L88-W105 HydrophobicContact CB-CZ2 3.39Å; L88-W105 HydrophobicContact CD1-CD2 4.46Å; L88-F130 HydrophobicContact CD1-CB 4.14Å; L88-F130 HydrophobicContact CD1-CD1 4.1Å; L88-F130 HydrophobicContact CD1-CD2 4.46Å; L88-F130 HydrophobicContact CD1-CG 3.97Å; L88-F130 HydrophobicContact CD2-CB 3.97Å; L88-F130 HydrophobicContact CD2-CD1 3.57Å; L88-F130 HydrophobicContact CD2-CE1 4.44Å; L88-F130 HydrophobicContact CD2-CG 4.01Å; L88-L134 HydrophobicContact CD2-CD1 4.06Å; L88-L134 HydrophobicContact CD2-CD2 4.2Å; L88-L134 HydrophobicContact CD2-CG 4.14Å; L88-L134 HydrophobicContact CG-CD1 4.35Å
89Q96.2Very high96Very high37 Ų3760.9 Ų60.917%0.17331%0.306CS..Hα-helixtrans-60.4-31.3178.2-165.4-179.5-300111.8Y85 N86 A93 F98 W105Y85-Q89 WeakPolarHBondContact O-CB 3.15Å; Y85-Q89 PolarHBondContact O-N 3.43Å; N86-Q89 PolarHBondContact O-N 2.93Å; Q89-A93 WeakPolarHBondContact O-CB 3.34Å; Q89-F98 HydrophobicContact CG-CD2 4.46Å; Q89-F98 HydrophobicContact CG-CE1 4.09Å; Q89-F98 HydrophobicContact CG-CE2 3.89Å; Q89-F98 HydrophobicContact CG-CZ 3.67Å; Q89-F98 PolarHBondContact NE2-O 2.64Å; Q89-F98 WeakPolarHBondContact O-CE2 3.29Å; Q89-W105 HydrophobicContact CB-CZ2 4.49Å
90K96.2Very high95.8Very high112 Ų11259.8 Ų59.849%0.48730%0.304SS..Hα-helixtrans-86.3-38.2178.8-167.2-175.8174.9179.90114N86 D87 L88N86-K90 PolarHBondContact O-N 2.68Å; N86-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 PolarHBondContact O-N 3.01Å; L88-K90 PolarHBondContact O-N 2.72Å
91Q97.9Very high95.8Very high49 Ų4957.1 Ų57.123%0.22929%0.29CS..Hα-helixtrans-105-24-170.1-59.6-58.7-63.800113.7N53 I54 D87 L88 L134N53-Q91 PolarHBondContact OD1-O 3.16Å; I54-Q91 WeakPolarHBondContact CB-O 3.34Å; I54-Q91 HydrophobicContact CD1-CB 4.41Å; I54-Q91 VanDerWaalsContact CG1-O 3.25Å; I54-Q91 WeakPolarHBondContact CG1-O 3.43Å; I54-Q91 PolarHBondContact N-O 2.95Å; D87-Q91 VanDerWaalsContact O-CB 3.32Å; D87-Q91 WeakPolarHBondContact O-CB 3.49Å; D87-Q91 WeakPolarHBondContact O-CG 2.9Å; D87-Q91 PolarHBondContact O-N 3.41Å; L88-Q91 PolarHBondContact O-N 2.74Å; Q91-L134 HydrophobicContact CB-CD2 3.59Å; Q91-L134 HydrophobicContact CG-CD2 4.05Å
92W98.2Very high95.7Very high0 Ų060.9 Ų60.90%031%0.308CS..SBendtrans-132.553.2179.4-160.8-23.1000109.4N53 I54 H55 L88 F104 W105 E108 Y129 F130 S133N53-W92 WeakPolarHBondContact OD1-CA 3.26Å; I54-W92 HydrophobicContact CB-CB 3.94Å; I54-W92 HydrophobicContact CB-CD2 3.85Å; I54-W92 HydrophobicContact CB-CE3 4.27Å; I54-W92 HydrophobicContact CB-CG 3.71Å; I54-W92 HydrophobicContact CD1-CB 4.23Å; I54-W92 HydrophobicContact CD1-CD2 4.48Å; I54-W92 HydrophobicContact CD1-CE3 4.15Å; I54-W92 HydrophobicContact CG2-CD2 3.44Å; I54-W92 VanDerWaalsContact CG2-CD2 3.44Å; I54-W92 HydrophobicContact CG2-CE3 3.68Å; I54-W92 HydrophobicContact CG2-CG 3.86Å; I54-W92 HydrophobicContact CG2-CH2 4.22Å; I54-W92 HydrophobicContact CG2-CZ2 4.03Å; I54-W92 HydrophobicContact CG2-CZ3 4.08Å; I54-W92 PolarHBondContact O-NE1 2.85Å; H55-W92 PolarHBondContact O-NE1 3.23Å; H55-W92 VanDerWaalsContact O-NE1 3.08Å; L88-W92 HydrophobicContact CD2-CB 4.03Å; L88-W92 HydrophobicContact CD2-CE3 4.13Å; L88-W92 CarbonylContact O-C 3.17Å; L88-W92 VanDerWaalsContact O-CA 3.23Å; L88-W92 WeakPolarHBondContact O-CA 2.95Å; L88-W92 PolarHBondContact O-N 3.45Å; W92-F104 AromaticContact CD1-CE1 3.45Å; W92-F104 VanDerWaalsContact CD1-CE1 3.45Å; W92-F104 AromaticContact NE1-CE1 3.42Å; W92-F104 AromaticContact NE1-CZ 3.77Å; W92-W105 PolarHBondContact O-NE1 2.96Å; W92-E108 HydrophobicContact CZ2-CB 3.83Å; W92-E108 HydrophobicContact CZ2-CG 3.91Å; W92-Y129 HydrophobicContact CH2-CD1 4.41Å; W92-Y129 AromaticContact CH2-CE1 3.53Å; W92-Y129 HydrophobicContact CH2-CE1 3.53Å; W92-Y129 AromaticContact CH2-CZ 3.84Å; W92-Y129 HydrophobicContact CZ2-CE1 4.4Å; W92-Y129 HydrophobicContact CZ3-CE1 4.14Å; W92-F130 HydrophobicContact CD2-CD1 4.23Å; W92-F130 HydrophobicContact CD2-CE1 4.09Å; W92-F130 AromaticContact CE3-CD1 3.48Å; W92-F130 HydrophobicContact CE3-CD1 3.48Å; W92-F130 VanDerWaalsContact CE3-CD1 3.48Å; W92-F130 AromaticContact CE3-CE1 3.74Å; W92-F130 HydrophobicContact CE3-CE1 3.74Å; W92-F130 HydrophobicContact CH2-CD1 4.09Å; W92-F130 AromaticContact CH2-CE1 3.85Å; W92-F130 HydrophobicContact CH2-CE1 3.85Å; W92-F130 HydrophobicContact CZ2-CE1 4.17Å; W92-F130 AromaticContact CZ3-CD1 3.37Å; W92-F130 HydrophobicContact CZ3-CD1 3.37Å; W92-F130 AromaticContact CZ3-CE1 3.59Å; W92-F130 HydrophobicContact CZ3-CE1 3.59Å; W92-S133 VanDerWaalsContact CZ3-OG 3.3Å; W92-S133 WeakPolarHBondContact CZ3-OG 3.24Å
93A97Very high95.7Very high0 Ų060.8 Ų60.80%031%0.313CS..  trans-67.7152.4-178.300000111.8I49 N53 L88 Q89 L95 F98 F104I49-A93 HydrophobicContact CD1-CB 3.56Å; N53-A93 PolarHBondContact ND2-O 3.09Å; N53-A93 PolarHBondContact OD1-N 2.95Å; L88-A93 PolarHBondContact O-N 2.75Å; Q89-A93 WeakPolarHBondContact O-CB 3.34Å; A93-L95 HydrophobicContact CB-CD2 4.3Å; A93-L95 PolarHBondContact O-N 3.11Å; A93-F98 HydrophobicContact CB-CD2 4.03Å; A93-F98 HydrophobicContact CB-CE2 4.26Å; A93-F104 WeakPolarHBondContact O-CE1 3.45Å
94N95.4Very high95.6Very high24 Ų2457.3 Ų57.313%0.12829%0.287CS..  trans-81.1109.1156.9176.9-2.4000108.2I96 D97 F98 P101 F104N94-I96 PolarHBondContact O-N 3.41Å; N94-I96 WeakPolarHBondContact OD1-CB 3.48Å; N94-I96 PolarHBondContact OD1-N 2.93Å; N94-D97 WeakPolarHBondContact CB-O 3.03Å; N94-D97 PolarHBondContact ND2-O 3.4Å; N94-D97 CarbonylContact O-C 3.39Å; N94-D97 VanDerWaalsContact O-C 3.29Å; N94-D97 PolarHBondContact O-N 3.48Å; N94-D97 PolarHBondContact OD1-N 2.85Å; N94-F98 WeakPolarHBondContact O-CA 3.11Å; N94-F98 PolarHBondContact O-N 2.91Å; N94-P101 HydrophobicContact CB-CB 3.97Å; N94-F104 HydrophobicContact CB-CB 3.91Å; N94-F104 HydrophobicContact CB-CD1 4.13Å; N94-F104 HydrophobicContact CB-CG 4.33Å
95L93.1Very high95.6Very high15 Ų1556.5 Ų56.58%0.07928%0.283CS..SBendtrans-71.9-11-177.6-62.8-176.6000114E32 P34 Y37 C43 I49 N53 A93E32-L95 HydrophobicContact CG-CD1 4.05Å; E32-L95 VanDerWaalsContact OE1-CD1 3.29Å; E32-L95 WeakPolarHBondContact OE1-CD1 2.98Å; P34-L95 HydrophobicContact CB-CD1 4Å; P34-L95 HydrophobicContact CB-CD2 4.04Å; P34-L95 HydrophobicContact CG-CD1 4.08Å; P34-L95 HydrophobicContact CG-CD2 4.07Å; Y37-L95 HydrophobicContact CD1-CB 3.6Å; Y37-L95 HydrophobicContact CD1-CD1 3.95Å; Y37-L95 HydrophobicContact CD1-CG 4.46Å; Y37-L95 HydrophobicContact CD2-CD1 4.04Å; Y37-L95 HydrophobicContact CE1-CB 3.64Å; Y37-L95 HydrophobicContact CG-CB 4.14Å; Y37-L95 HydrophobicContact CG-CD1 3.65Å; C43-L95 PolarHBondContact SG-O 3.48Å; C43-L95 VanDerWaalsContact SG-O 3.38Å; I49-L95 HydrophobicContact CD1-CD2 4.03Å; N53-L95 HydrophobicContact CB-CD1 4.44Å; N53-L95 HydrophobicContact CB-CD2 4.43Å; A93-L95 HydrophobicContact CB-CD2 4.3Å; A93-L95 PolarHBondContact O-N 3.11Å
96I90.9Very high95.6Very high121 Ų12159 Ų5962%0.62130%0.295SS*.SBendtrans-84.9-47.7172.9-60.8172.7000110.2Y37 N94Y37-I96 HydrophobicContact CE1-CG1 4.05Å; Y37-I96 VanDerWaalsContact OH-CD1 3.26Å; Y37-I96 WeakPolarHBondContact OH-CD1 3.46Å; Y37-I96 WeakPolarHBondContact OH-CG1 3.47Å; N94-I96 PolarHBondContact O-N 3.41Å; N94-I96 WeakPolarHBondContact OD1-CB 3.48Å; N94-I96 PolarHBondContact OD1-N 2.93Å
97D92.1Very high95.6Very high60 Ų6057.5 Ų57.532%0.32128%0.284SS..  trans-13691.2-176.7-172-13.8000109.8N94 D99 N100N94-D97 WeakPolarHBondContact CB-O 3.03Å; N94-D97 PolarHBondContact ND2-O 3.4Å; N94-D97 CarbonylContact O-C 3.39Å; N94-D97 VanDerWaalsContact O-C 3.29Å; N94-D97 PolarHBondContact O-N 3.48Å; N94-D97 PolarHBondContact OD1-N 2.85Å; D97-D99 VanDerWaalsContact C-N 3.26Å; D97-D99 PolarHBondContact O-N 3.16Å; D97-D99 PolarHBondContact OD1-N 2.83Å; D97-N100 CarbonylContact O-C 3.51Å; D97-N100 PolarHBondContact O-N 2.93Å; D97-N100 PolarHBondContact OD1-N 3.24Å; D97-N100 PolarHBondContact OD1-ND2 3.25Å; D97-N100 VanDerWaalsContact OD1-ND2 3.14Å; D97-N100 PolarHBondContact OD2-ND2 3.39Å
98F90.5Very high95.6Very high43 Ų4353.3 Ų53.319%0.18926%0.261CS..SBendtrans-67.1-27.7-177.9179.9-96.6000113.2P46 I49 Q89 A93 N94P46-F98 HydrophobicContact CG-CB 3.91Å; P46-F98 HydrophobicContact CG-CD1 3.91Å; P46-F98 HydrophobicContact CG-CD2 3.8Å; P46-F98 HydrophobicContact CG-CE1 4.38Å; P46-F98 HydrophobicContact CG-CE2 4.27Å; P46-F98 HydrophobicContact CG-CG 3.59Å; I49-F98 HydrophobicContact CD1-CD2 3.77Å; I49-F98 HydrophobicContact CD1-CE2 3.73Å; I49-F98 HydrophobicContact CG1-CD2 4.49Å; I49-F98 HydrophobicContact CG1-CE2 4.01Å; Q89-F98 HydrophobicContact CG-CD2 4.46Å; Q89-F98 HydrophobicContact CG-CE1 4.09Å; Q89-F98 HydrophobicContact CG-CE2 3.89Å; Q89-F98 HydrophobicContact CG-CZ 3.67Å; Q89-F98 PolarHBondContact NE2-O 2.64Å; Q89-F98 WeakPolarHBondContact O-CE2 3.29Å; A93-F98 HydrophobicContact CB-CD2 4.03Å; A93-F98 HydrophobicContact CB-CE2 4.26Å; N94-F98 WeakPolarHBondContact O-CA 3.11Å; N94-F98 PolarHBondContact O-N 2.91Å
99D91.4Very high95.5Very high119 Ų11953.3 Ų53.364%0.63626%0.261SS*.SBendtrans-81-25.9-177.2-65.7-31.9000111.1D97 P101D97-D99 VanDerWaalsContact C-N 3.26Å; D97-D99 PolarHBondContact O-N 3.16Å; D97-D99 PolarHBondContact OD1-N 2.83Å; D99-P101 VanDerWaalsContact C-CD 3.47Å; D99-P101 WeakPolarHBondContact O-CD 3.47Å
100N93.6Very high95.5Very high102 Ų10253.8 Ų53.855%0.54527%0.269SS..  trans-124.669.7178.8-49.6-80.4000112.3D97 E102D97-N100 CarbonylContact O-C 3.51Å; D97-N100 PolarHBondContact O-N 2.93Å; D97-N100 PolarHBondContact OD1-N 3.24Å; D97-N100 PolarHBondContact OD1-ND2 3.25Å; D97-N100 VanDerWaalsContact OD1-ND2 3.14Å; D97-N100 PolarHBondContact OD2-ND2 3.39Å; N100-E102 VanDerWaalsContact C-N 3.34Å; N100-E102 PolarHBondContact O-N 3.41Å
101P95.8Very high95.4Very high0 Ų051 Ų510%026%0.256CS..  trans-80.6-9.9-175.734.7-38.8000114.5N94 D99 D103 F104 W105N94-P101 HydrophobicContact CB-CB 3.97Å; D99-P101 VanDerWaalsContact C-CD 3.47Å; D99-P101 WeakPolarHBondContact O-CD 3.47Å; P101-D103 VanDerWaalsContact C-N 3.34Å; P101-D103 PolarHBondContact O-N 3.14Å; P101-F104 WeakPolarHBondContact O-CB 3.4Å; P101-F104 PolarHBondContact O-N 3.48Å; P101-W105 HydrophobicContact CB-CD2 4.27Å; P101-W105 HydrophobicContact CB-CH2 3.94Å; P101-W105 HydrophobicContact CB-CZ2 3.51Å; P101-W105 HydrophobicContact CB-CZ3 4.43Å; P101-W105 HydrophobicContact CG-CE3 4.36Å; P101-W105 HydrophobicContact CG-CH2 3.31Å; P101-W105 HydrophobicContact CG-CZ2 3.42Å; P101-W105 VanDerWaalsContact CG-CZ2 3.42Å; P101-W105 HydrophobicContact CG-CZ3 3.81Å; P101-W105 PolarHBondContact O-N 2.84Å
102E97.1Very high95.3Very high80 Ų8048.7 Ų48.737%0.37425%0.246SC..Hα-helixtrans-60-39.1-169.5-59.4-173-16800113.9I78 Y85 N100 F104 W105 K106I78-E102 HydrophobicContact CD1-CB 4.46Å; I78-E102 HydrophobicContact CD1-CG 3.73Å; I78-E102 HydrophobicContact CG1-CG 4.31Å; Y85-E102 HydrophobicContact CE2-CG 4.29Å; N100-E102 VanDerWaalsContact C-N 3.34Å; N100-E102 PolarHBondContact O-N 3.41Å; E102-F104 VanDerWaalsContact C-N 3.26Å; E102-F104 PolarHBondContact O-N 2.88Å; E102-W105 HydrophobicContact CG-CE3 4.43Å; E102-W105 HydrophobicContact CG-CZ3 4.41Å; E102-W105 PolarHBondContact O-N 3.02Å; E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.21Å; E102-K106 PolarHBondContact O-N 2.95Å
103D96.5Very high95.1Very high125 Ų12548.7 Ų48.767%0.66825%0.246SC*.Hα-helixtrans-64.8-33.4178.6-83.6-24.7000112P101 H107P101-D103 VanDerWaalsContact C-N 3.34Å; P101-D103 PolarHBondContact O-N 3.14Å; D103-H107 WeakPolarHBondContact O-CB 3.41Å; D103-H107 PolarHBondContact O-N 3.3Å
104F97.4Very high95Very high33 Ų3348.9 Ų48.915%0.14525%0.247CC..Hα-helixtrans-69.4-46.1175.4178.3-130.8000111.2H55 W92 A93 N94 P101 E102 K106 H107 E108H55-F104 WeakPolarHBondContact O-CZ 3.32Å; W92-F104 AromaticContact CD1-CE1 3.45Å; W92-F104 VanDerWaalsContact CD1-CE1 3.45Å; W92-F104 AromaticContact NE1-CE1 3.42Å; W92-F104 AromaticContact NE1-CZ 3.77Å; A93-F104 WeakPolarHBondContact O-CE1 3.45Å; N94-F104 HydrophobicContact CB-CB 3.91Å; N94-F104 HydrophobicContact CB-CD1 4.13Å; N94-F104 HydrophobicContact CB-CG 4.33Å; P101-F104 WeakPolarHBondContact O-CB 3.4Å; P101-F104 PolarHBondContact O-N 3.48Å; E102-F104 VanDerWaalsContact C-N 3.26Å; E102-F104 PolarHBondContact O-N 2.88Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 2.95Å; F104-H107 WeakPolarHBondContact O-CB 3.09Å; F104-H107 PolarHBondContact O-N 2.88Å; F104-H107 VanDerWaalsContact O-N 3.14Å; F104-E108 HydrophobicContact CD2-CG 4.21Å; F104-E108 HydrophobicContact CE2-CG 3.76Å; F104-E108 HydrophobicContact CZ-CG 4.06Å; F104-E108 PolarHBondContact O-N 2.83Å
105W98.3Very high94.9Very high0 Ų047.8 Ų47.80%024%0.241CC..Hα-helixtrans-62.4-41.6175.8-59-26.3000112.3F76 I78 I81 Y85 L88 Q89 W92 P101 E102 H107 E108 W109 F130F76-W105 HydrophobicContact CE2-CB 4.11Å; F76-W105 HydrophobicContact CZ-CB 3.99Å; I78-W105 HydrophobicContact CD1-CE3 4.36Å; I78-W105 HydrophobicContact CD1-CZ3 4.33Å; I81-W105 HydrophobicContact CD1-CD2 4.27Å; I81-W105 HydrophobicContact CD1-CE3 3.56Å; I81-W105 HydrophobicContact CD1-CZ3 4.09Å; Y85-W105 HydrophobicContact CD1-CH2 4.48Å; Y85-W105 AromaticContact CD2-CH2 4Å; Y85-W105 HydrophobicContact CD2-CH2 4Å; Y85-W105 AromaticContact CD2-CZ3 3.65Å; Y85-W105 HydrophobicContact CD2-CZ3 3.65Å; Y85-W105 HydrophobicContact CE1-CH2 4.37Å; Y85-W105 AromaticContact CE2-CH2 3.91Å; Y85-W105 HydrophobicContact CE2-CH2 3.91Å; Y85-W105 AromaticContact CE2-CZ3 3.54Å; Y85-W105 HydrophobicContact CE2-CZ3 3.54Å; Y85-W105 HydrophobicContact CG-CH2 4.27Å; Y85-W105 HydrophobicContact CG-CZ3 4.34Å; L88-W105 HydrophobicContact CB-CH2 3.81Å; L88-W105 HydrophobicContact CB-CZ2 3.39Å; L88-W105 HydrophobicContact CD1-CD2 4.46Å; Q89-W105 HydrophobicContact CB-CZ2 4.49Å; W92-W105 PolarHBondContact O-NE1 2.96Å; P101-W105 HydrophobicContact CB-CD2 4.27Å; P101-W105 HydrophobicContact CB-CH2 3.94Å; P101-W105 HydrophobicContact CB-CZ2 3.51Å; P101-W105 HydrophobicContact CB-CZ3 4.43Å; P101-W105 HydrophobicContact CG-CE3 4.36Å; P101-W105 HydrophobicContact CG-CH2 3.31Å; P101-W105 HydrophobicContact CG-CZ2 3.42Å; P101-W105 VanDerWaalsContact CG-CZ2 3.42Å; P101-W105 HydrophobicContact CG-CZ3 3.81Å; P101-W105 PolarHBondContact O-N 2.84Å; E102-W105 HydrophobicContact CG-CE3 4.43Å; E102-W105 HydrophobicContact CG-CZ3 4.41Å; E102-W105 PolarHBondContact O-N 3.02Å; W105-H107 VanDerWaalsContact C-N 3.3Å; W105-H107 PolarHBondContact O-N 2.78Å; W105-E108 PolarHBondContact O-N 2.98Å; W105-W109 WeakPolarHBondContact O-CB 3.33Å; W105-W109 PolarHBondContact O-N 3.29Å; W105-F130 HydrophobicContact CB-CE1 4.17Å; W105-F130 HydrophobicContact CB-CE2 4.45Å; W105-F130 HydrophobicContact CB-CZ 3.7Å; W105-F130 HydrophobicContact CG-CE1 4.33Å; W105-F130 HydrophobicContact CG-CZ 4.31Å
106K97.2Very high94.8Very high105 Ų10547.1 Ų47.146%0.45724%0.238SC..Hα-helixtrans-59.5-41.6173.8178.8177.5175.9-174.70111.6F76 E102 F104 S110F76-K106 HydrophobicContact CB-CB 4.36Å; F76-K106 HydrophobicContact CB-CG 3.93Å; F76-K106 HydrophobicContact CD1-CB 3.67Å; F76-K106 HydrophobicContact CD1-CD 4.28Å; F76-K106 HydrophobicContact CD1-CG 3.92Å; F76-K106 HydrophobicContact CD2-CB 4.43Å; F76-K106 HydrophobicContact CE1-CB 3.96Å; F76-K106 HydrophobicContact CG-CB 3.9Å; F76-K106 HydrophobicContact CG-CG 4.01Å; F76-K106 HydrophobicContact CZ-CB 4.45Å; E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.21Å; E102-K106 PolarHBondContact O-N 2.95Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 2.95Å; K106-S110 WeakPolarHBondContact O-CB 3.4Å; K106-S110 PolarHBondContact O-N 3.34Å; K106-S110 PolarHBondContact O-OG 3.42Å
107H96.6Very high94.7Very high92 Ų9242.6 Ų42.643%0.42622%0.215SC..Hα-helixtrans-61.5-52.9175.6-17882.5000111.1D103 F104 W105 W109 S110 K111D103-H107 WeakPolarHBondContact O-CB 3.41Å; D103-H107 PolarHBondContact O-N 3.3Å; F104-H107 WeakPolarHBondContact O-CB 3.09Å; F104-H107 PolarHBondContact O-N 2.88Å; F104-H107 VanDerWaalsContact O-N 3.14Å; W105-H107 VanDerWaalsContact C-N 3.3Å; W105-H107 PolarHBondContact O-N 2.78Å; H107-W109 VanDerWaalsContact C-N 3.35Å; H107-W109 PolarHBondContact O-N 2.69Å; H107-S110 PolarHBondContact O-N 2.92Å; H107-K111 WeakPolarHBondContact NE2-CD 3.27Å; H107-K111 PolarHBondContact NE2-NZ 3.3Å; H107-K111 WeakPolarHBondContact O-CB 3.37Å; H107-K111 PolarHBondContact O-N 2.71Å
108E97.8Very high94Very high3 Ų342.5 Ų42.51%0.01422%0.219CC..Hα-helixtrans-61.9-41.6-178.1-72-57.6108.700112W58 W92 F104 W105 H112 G113W58-E108 PolarHBondContact NE1-OE2 3.05Å; W92-E108 HydrophobicContact CZ2-CB 3.83Å; W92-E108 HydrophobicContact CZ2-CG 3.91Å; F104-E108 HydrophobicContact CD2-CG 4.21Å; F104-E108 HydrophobicContact CE2-CG 3.76Å; F104-E108 HydrophobicContact CZ-CG 4.06Å; F104-E108 PolarHBondContact O-N 2.83Å; W105-E108 PolarHBondContact O-N 2.98Å; E108-H112 WeakPolarHBondContact O-CA 3.42Å; E108-H112 WeakPolarHBondContact O-CB 3.47Å; E108-H112 PolarHBondContact O-N 3.36Å; E108-H112 IonicContact OE1-CD2 2.69Å; E108-H112 IonicContact OE2-CD2 2.78Å; E108-G113 PolarHBondContact O-N 2.68Å
109W96.8Very high93.4Very high0 Ų042.2 Ų42.20%022%0.219CC..Hα-helixtrans-63.2-56.1173.1171.9-106000112.3T74 F76 W105 H107 K111 G113 V114 I117 I123 E126 Y129 F130T74-W109 HydrophobicContact CG2-CZ2 4.36Å; T74-W109 PolarHBondContact O-NE1 2.92Å; F76-W109 HydrophobicContact CD2-CB 3.93Å; F76-W109 HydrophobicContact CD2-CG 4.07Å; W105-W109 WeakPolarHBondContact O-CB 3.33Å; W105-W109 PolarHBondContact O-N 3.29Å; H107-W109 VanDerWaalsContact C-N 3.35Å; H107-W109 PolarHBondContact O-N 2.69Å; W109-K111 VanDerWaalsContact C-N 3.27Å; W109-K111 PolarHBondContact O-N 3.5Å; W109-G113 WeakPolarHBondContact O-CA 3.29Å; W109-G113 PolarHBondContact O-N 2.75Å; W109-V114 HydrophobicContact CD2-CG1 4.33Å; W109-V114 HydrophobicContact CZ2-CG1 3.99Å; W109-V114 PolarHBondContact O-N 3.21Å; W109-I117 HydrophobicContact CH2-CD1 3.59Å; W109-I117 HydrophobicContact CH2-CG1 3.86Å; W109-I117 HydrophobicContact CZ2-CD1 3.81Å; W109-I123 HydrophobicContact CZ3-CG2 4.46Å; W109-E126 HydrophobicContact CD2-CB 3.67Å; W109-E126 HydrophobicContact CE3-CB 3.92Å; W109-E126 HydrophobicContact CG-CB 4.07Å; W109-E126 HydrophobicContact CH2-CB 4.48Å; W109-E126 VanDerWaalsContact CH2-N 3.34Å; W109-E126 HydrophobicContact CZ2-CB 4.25Å; W109-E126 HydrophobicContact CZ3-CB 4.34Å; W109-Y129 AromaticContact CE3-CD1 3.86Å; W109-Y129 HydrophobicContact CE3-CD1 3.86Å; W109-Y129 AromaticContact CE3-CG 3.92Å; W109-Y129 HydrophobicContact CE3-CG 3.92Å; W109-Y129 HydrophobicContact CZ3-CD1 4.41Å; W109-Y129 HydrophobicContact CZ3-CG 4Å; W109-F130 HydrophobicContact CB-CE2 4.37Å; W109-F130 HydrophobicContact CB-CZ 4.41Å
110S95.1Very high93Very high46 Ų4636.9 Ų36.932%0.32219%0.19SC..Hα-helixtrans-67.7-29.9-170.4-54.40000112.5K106 H107 V114K106-S110 WeakPolarHBondContact O-CB 3.4Å; K106-S110 PolarHBondContact O-N 3.34Å; K106-S110 PolarHBondContact O-OG 3.42Å; H107-S110 PolarHBondContact O-N 2.92Å; S110-V114 WeakPolarHBondContact O-CG2 3.33Å
111K94.8Very high92.6Very high53 Ų5337.7 Ų37.723%0.2320%0.201CC..Hα-helixtrans-89.3-42.3-179.3-175.4177.9163.2-142.30112.2K68 N69 H107 W109K68-K111 CarbonylContact C-O 3.53Å; K68-K111 VanDerWaalsContact CA-O 3.3Å; K68-K111 WeakPolarHBondContact CA-O 3.31Å; K68-K111 HydrophobicContact CB-CG 4.32Å; K68-K111 HydrophobicContact CG-CG 4.18Å; N69-K111 PolarHBondContact N-O 2.71Å; H107-K111 WeakPolarHBondContact NE2-CD 3.27Å; H107-K111 PolarHBondContact NE2-NZ 3.3Å; H107-K111 WeakPolarHBondContact O-CB 3.37Å; H107-K111 PolarHBondContact O-N 2.71Å; W109-K111 VanDerWaalsContact C-N 3.27Å; W109-K111 PolarHBondContact O-N 3.5Å
112H95.3Very high92.3Very high2 Ų243 Ų431%0.00923%0.229CC..THydrogen-bonded Turntrans-116.1-50.2-171-61.2-74.6000112.6W58 E66 E108 V114 C115W58-H112 AromaticContact CD1-CD2 3.49Å; W58-H112 VanDerWaalsContact CD1-CD2 3.49Å; W58-H112 AromaticContact CD1-CE1 3.86Å; W58-H112 AromaticContact CD1-CG 3.29Å; W58-H112 AromaticContact CD1-ND1 3.56Å; W58-H112 AromaticContact CD1-NE2 3.92Å; W58-H112 HydrophobicContact CG-CB 4.4Å; W58-H112 AromaticContact CG-CE1 3.96Å; W58-H112 AromaticContact CG-CG 3.95Å; W58-H112 AromaticContact CG-ND1 3.75Å; W58-H112 AromaticContact NE1-CD2 3.54Å; W58-H112 AromaticContact NE1-CG 3.86Å; W58-H112 AromaticContact NE1-NE2 3.81Å; E66-H112 IonicContact OE2-CE1 3.11Å; E108-H112 WeakPolarHBondContact O-CA 3.42Å; E108-H112 WeakPolarHBondContact O-CB 3.47Å; E108-H112 PolarHBondContact O-N 3.36Å; E108-H112 IonicContact OE1-CD2 2.69Å; E108-H112 IonicContact OE2-CD2 2.78Å; H112-V114 PolarHBondContact O-N 3.39Å; H112-C115 WeakPolarHBondContact O-CB 3.45Å; H112-C115 PolarHBondContact O-N 2.66Å
113G94.9Very high92.1Very high0 Ų039.3 Ų39.30%021%0.212CC..G310 helixtrans-58.7-39.6-175.200000114.7E108 W109 C115 A116 Y129E108-G113 PolarHBondContact O-N 2.68Å; W109-G113 WeakPolarHBondContact O-CA 3.29Å; W109-G113 PolarHBondContact O-N 2.75Å; G113-C115 PolarHBondContact O-N 2.87Å; G113-C115 VanDerWaalsContact O-N 3.12Å; G113-A116 WeakPolarHBondContact O-CB 3.34Å; G113-A116 PolarHBondContact O-N 2.82Å; G113-Y129 VanDerWaalsContact CA-CE2 3.5Å
114V94Very high91.9Very high4 Ų436.6 Ų36.62%0.02420%0.203CC..G310 helixtrans-59.7-24.5176.8-660000113.8C70 W109 S110 H112 A116C70-V114 HydrophobicContact CB-CG2 4.33Å; W109-V114 HydrophobicContact CD2-CG1 4.33Å; W109-V114 HydrophobicContact CZ2-CG1 3.99Å; W109-V114 PolarHBondContact O-N 3.21Å; S110-V114 WeakPolarHBondContact O-CG2 3.33Å; H112-V114 PolarHBondContact O-N 3.39Å; V114-A116 VanDerWaalsContact C-N 3.3Å
115C93.1Very high91.7Very high1 Ų136.8 Ų36.81%0.00721%0.205CC..G310 helixtrans-75.9-18.7176.8-63.40000112.8W24 P59 P67 C70 H112 G113W24-C115 PolarHBondContact NE1-O 2.73Å; P59-C115 HydrophobicContact CB-CB 4.16Å; P59-C115 HydrophobicContact CG-CB 4.03Å; P67-C115 HydrophobicContact CB-CB 4.43Å; P67-C115 HydrophobicContact CG-CB 4.37Å; P67-C115 PolarHBondContact O-SG 2.84Å; C70-C115 HydrophobicContact CB-CB 3.92Å; C70-C115 WeakPolarHBondContact CB-SG 3Å; C70-C115 WeakPolarHBondContact SG-CA 3.38Å; C70-C115 WeakPolarHBondContact SG-CB 3.4Å; C70-C115 CovalentContact SG-SG 2.04Å; C70-C115 PolarHBondContact SG-SG 2.81Å; H112-C115 WeakPolarHBondContact O-CB 3.45Å; H112-C115 PolarHBondContact O-N 2.66Å; G113-C115 PolarHBondContact O-N 2.87Å; G113-C115 VanDerWaalsContact O-N 3.12Å
116A92.3Very high91.6Very high0 Ų036.8 Ų36.80%021%0.205CC..THydrogen-bonded Turntrans-78-24.2178.200000112.9F27 P59 G113 V114 S118 D119 H120 I123F27-A116 HydrophobicContact CE1-CB 4.01Å; F27-A116 HydrophobicContact CZ-CB 4.01Å; P59-A116 HydrophobicContact CG-CB 3.86Å; G113-A116 WeakPolarHBondContact O-CB 3.34Å; G113-A116 PolarHBondContact O-N 2.82Å; V114-A116 VanDerWaalsContact C-N 3.3Å; A116-S118 VanDerWaalsContact C-N 3.34Å; A116-S118 PolarHBondContact O-N 2.82Å; A116-D119 PolarHBondContact O-N 3.31Å; A116-H120 WeakPolarHBondContact O-CB 3.19Å; A116-H120 PolarHBondContact O-N 3.36Å; A116-I123 HydrophobicContact CB-CB 4.35Å; A116-I123 HydrophobicContact CB-CD1 3.79Å; A116-I123 HydrophobicContact CB-CG2 4.03Å
117I88.8Confident91.6Very high27 Ų2733.9 Ų33.914%0.13819%0.194CC..THydrogen-bonded Turntrans-60.3-40.8-170-57.9173.6000112.6N72 W109 D119 I123N72-I117 VanDerWaalsContact ND2-CG2 3.33Å; N72-I117 WeakPolarHBondContact ND2-CG2 3.46Å; W109-I117 HydrophobicContact CH2-CD1 3.59Å; W109-I117 HydrophobicContact CH2-CG1 3.86Å; W109-I117 HydrophobicContact CZ2-CD1 3.81Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-D119 PolarHBondContact O-N 3.4Å; I117-I123 WeakPolarHBondContact CA-O 2.8Å; I117-I123 HydrophobicContact CG1-CG2 4.45Å
118S76.2Confident91.6Very high58 Ų5831.5 Ų31.541%0.40619%0.185SC..THydrogen-bonded Turntrans-70.3-29.7-172.5-53.50000113.4A116A116-S118 VanDerWaalsContact C-N 3.34Å; A116-S118 PolarHBondContact O-N 2.82Å
119D78.8Confident91.6Very high36 Ų3631.3 Ų31.319%0.19318%0.184CC..THydrogen-bonded Turntrans-122.4-9.6-169.3-50.5-50.2000114.4R22 Q23 W24 A116 I117R22-D119 HydrophobicContact CG-CB 4.37Å; Q23-D119 WeakPolarHBondContact CA-OD2 3.33Å; Q23-D119 WeakPolarHBondContact CB-OD2 3.37Å; Q23-D119 PolarHBondContact N-OD1 2.9Å; Q23-D119 PolarHBondContact N-OD2 3.29Å; W24-D119 HydrophobicContact CZ2-CB 4.24Å; W24-D119 PolarHBondContact NE1-OD2 3.34Å; A116-D119 PolarHBondContact O-N 3.31Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-D119 PolarHBondContact O-N 3.4Å
120H82.3Confident91.7Very high7 Ų731.3 Ų31.33%0.03218%0.184CC..  trans-101.8118.7176.3-162-92.4000111.3W24 F27 A116 L122 I123 P199W24-H120 HydrophobicContact CZ2-CB 4.03Å; F27-H120 AromaticContact CE2-CD2 3.67Å; A116-H120 WeakPolarHBondContact O-CB 3.19Å; A116-H120 PolarHBondContact O-N 3.36Å; H120-L122 PolarHBondContact ND1-N 2.97Å; H120-L122 PolarHBondContact O-N 2.8Å; H120-I123 HydrophobicContact CB-CB 4.14Å; H120-I123 HydrophobicContact CB-CD1 4.07Å; H120-I123 HydrophobicContact CB-CG1 4.28Å; H120-I123 PolarHBondContact ND1-N 3.22Å; H120-I123 PolarHBondContact O-N 2.79Å; H120-P199 PolarHBondContact CD2-O 3.4Å; H120-P199 PolarHBondContact NE2-O 3.02Å
121P85Confident91.9Very high120 Ų12032.3 Ų32.378%0.77919%0.186SC*.THydrogen-bonded Turntrans-65.9-17.8-173.426.7-35.1000114.1
122L89.6Confident92Very high111 Ų11130.9 Ų30.958%0.58118%0.18SC*.THydrogen-bonded Turntrans-104.8-7.8-178.6-53.7175.1000114.3H120 D128 I132H120-L122 PolarHBondContact ND1-N 2.97Å; H120-L122 PolarHBondContact O-N 2.8Å; L122-D128 VanDerWaalsContact O-CB 3.31Å; L122-D128 WeakPolarHBondContact O-CB 3.14Å; L122-I132 HydrophobicContact CB-CD1 3.91Å
123I93.1Very high92.2Very high2 Ų230.8 Ų30.81%0.0118%0.18CC..  trans-105.9103-179.8-64.2165.1000108F27 W109 A116 I117 H120 Y129 I132F27-I123 HydrophobicContact CZ-CD1 3.82Å; W109-I123 HydrophobicContact CZ3-CG2 4.46Å; A116-I123 HydrophobicContact CB-CB 4.35Å; A116-I123 HydrophobicContact CB-CD1 3.79Å; A116-I123 HydrophobicContact CB-CG2 4.03Å; I117-I123 WeakPolarHBondContact CA-O 2.8Å; I117-I123 HydrophobicContact CG1-CG2 4.45Å; H120-I123 HydrophobicContact CB-CB 4.14Å; H120-I123 HydrophobicContact CB-CD1 4.07Å; H120-I123 HydrophobicContact CB-CG1 4.28Å; H120-I123 PolarHBondContact ND1-N 3.22Å; H120-I123 PolarHBondContact O-N 2.79Å; I123-Y129 HydrophobicContact CD1-CD2 4.46Å; I123-I132 HydrophobicContact CD1-CD1 4.03Å; I123-I132 HydrophobicContact CG1-CD1 3.43Å; I123-I132 VanDerWaalsContact CG1-CD1 3.43Å
124S92.3Very high92.4Very high69 Ų6932 Ų3248%0.48319%0.186SC..SBendtrans-109.6-20.7177.271.40000113.2D128S124-D128 WeakPolarHBondContact CB-OD2 3.27Å; S124-D128 PolarHBondContact N-OD2 2.91Å; S124-D128 PolarHBondContact OG-OD2 3.38Å
125N94.2Very high92.6Very high36 Ų3634.7 Ų34.719%0.19321%0.209CC..SBendtrans-155.8179.3-174.562.966.9000110.5L127 D128 Y129N125-L127 PolarHBondContact O-N 3.17Å; N125-L127 WeakPolarHBondContact OD1-CA 3.49Å; N125-L127 VanDerWaalsContact OD1-CB 3.27Å; N125-L127 WeakPolarHBondContact OD1-CB 3.25Å; N125-L127 PolarHBondContact OD1-N 2.95Å; N125-D128 PolarHBondContact N-OD2 3.47Å; N125-D128 PolarHBondContact ND2-OD2 3.48Å; N125-D128 VanDerWaalsContact ND2-OD2 3.11Å; N125-D128 PolarHBondContact O-N 3.34Å; N125-D128 PolarHBondContact OD1-N 2.89Å; N125-D128 VanDerWaalsContact OD1-N 3.14Å; N125-Y129 PolarHBondContact O-N 3.33Å
126E95.7Very high92.9Very high0 Ų035 Ų350%021%0.21CC..Hα-helixtrans-62.3-39.4-178.958-90.5-134.900113.3F76 R77 L80 I81 W109 D128 Y129 F130F76-E126 HydrophobicContact CD2-CB 4.38Å; F76-E126 HydrophobicContact CD2-CG 4.5Å; R77-E126 WeakPolarHBondContact CA-OE1 3.27Å; R77-E126 WeakPolarHBondContact CB-OE1 2.84Å; R77-E126 PolarHBondContact N-OE1 3.34Å; R77-E126 IonicContact NE-OE1 3.76Å; L80-E126 HydrophobicContact CB-CG 4.03Å; L80-E126 VanDerWaalsContact CD1-CD 3.49Å; L80-E126 HydrophobicContact CD1-CG 4.29Å; L80-E126 WeakPolarHBondContact CD1-OE1 3.02Å; I81-E126 HydrophobicContact CG2-CB 4.23Å; I81-E126 HydrophobicContact CG2-CG 3.8Å; W109-E126 HydrophobicContact CD2-CB 3.67Å; W109-E126 HydrophobicContact CE3-CB 3.92Å; W109-E126 HydrophobicContact CG-CB 4.07Å; W109-E126 HydrophobicContact CH2-CB 4.48Å; W109-E126 VanDerWaalsContact CH2-N 3.34Å; W109-E126 HydrophobicContact CZ2-CB 4.25Å; W109-E126 HydrophobicContact CZ3-CB 4.34Å; E126-D128 VanDerWaalsContact C-N 3.33Å; E126-D128 PolarHBondContact O-N 3.36Å; E126-Y129 PolarHBondContact O-N 3.45Å; E126-F130 HydrophobicContact CB-CD2 4.24Å; E126-F130 HydrophobicContact CB-CE2 4.15Å; E126-F130 WeakPolarHBondContact O-CD2 2.79Å; E126-F130 PolarHBondContact O-N 3.29Å
127L97.5Very high93.2Very high44 Ų4435.2 Ų35.223%0.2321%0.211CC..Hα-helixtrans-61.3-42.9179175.462.7000111.1I84 N125 N131I84-L127 HydrophobicContact CD1-CD1 3.7Å; I84-L127 HydrophobicContact CG1-CD1 3.92Å; I84-L127 HydrophobicContact CG2-CD1 4.38Å; N125-L127 PolarHBondContact O-N 3.17Å; N125-L127 WeakPolarHBondContact OD1-CA 3.49Å; N125-L127 VanDerWaalsContact OD1-CB 3.27Å; N125-L127 WeakPolarHBondContact OD1-CB 3.25Å; N125-L127 PolarHBondContact OD1-N 2.95Å; L127-N131 VanDerWaalsContact CD1-ND2 3.35Å; L127-N131 WeakPolarHBondContact CD1-ND2 3.22Å; L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.45Å; L127-N131 PolarHBondContact O-N 3.46Å; L127-N131 PolarHBondContact O-ND2 3.41Å
128D96.8Very high93.6Very high42 Ų4238.3 Ų38.323%0.22524%0.235CC..Hα-helixtrans-62.4-45.9176.8-61.7-26.1000111.5L122 S124 N125 E126 F130 N131 I132L122-D128 VanDerWaalsContact O-CB 3.31Å; L122-D128 WeakPolarHBondContact O-CB 3.14Å; S124-D128 WeakPolarHBondContact CB-OD2 3.27Å; S124-D128 PolarHBondContact N-OD2 2.91Å; S124-D128 PolarHBondContact OG-OD2 3.38Å; N125-D128 PolarHBondContact N-OD2 3.47Å; N125-D128 PolarHBondContact ND2-OD2 3.48Å; N125-D128 VanDerWaalsContact ND2-OD2 3.11Å; N125-D128 PolarHBondContact O-N 3.34Å; N125-D128 PolarHBondContact OD1-N 2.89Å; N125-D128 VanDerWaalsContact OD1-N 3.14Å; E126-D128 VanDerWaalsContact C-N 3.33Å; E126-D128 PolarHBondContact O-N 3.36Å; D128-F130 PolarHBondContact O-N 2.83Å; D128-N131 PolarHBondContact O-N 3.39Å; D128-I132 WeakPolarHBondContact O-CB 3.49Å; D128-I132 WeakPolarHBondContact O-CG1 3.24Å; D128-I132 PolarHBondContact O-N 3.23Å
129Y97.5Very high94.7Very high0 Ų042.3 Ų42.30%024%0.242CC..Hα-helixtrans-60.3-45.4179.5172.2-102.8000112.4L57 W92 W109 G113 I123 N125 E126 S133L57-Y129 HydrophobicContact CB-CE2 3.95Å; L57-Y129 HydrophobicContact CD2-CD2 4.25Å; L57-Y129 HydrophobicContact CD2-CE2 4.02Å; L57-Y129 HydrophobicContact CG-CE2 4.2Å; L57-Y129 WeakPolarHBondContact O-CE2 3.32Å; L57-Y129 PolarHBondContact O-OH 3.27Å; W92-Y129 HydrophobicContact CH2-CD1 4.41Å; W92-Y129 AromaticContact CH2-CE1 3.53Å; W92-Y129 HydrophobicContact CH2-CE1 3.53Å; W92-Y129 AromaticContact CH2-CZ 3.84Å; W92-Y129 HydrophobicContact CZ2-CE1 4.4Å; W92-Y129 HydrophobicContact CZ3-CE1 4.14Å; W109-Y129 AromaticContact CE3-CD1 3.86Å; W109-Y129 HydrophobicContact CE3-CD1 3.86Å; W109-Y129 AromaticContact CE3-CG 3.92Å; W109-Y129 HydrophobicContact CE3-CG 3.92Å; W109-Y129 HydrophobicContact CZ3-CD1 4.41Å; W109-Y129 HydrophobicContact CZ3-CG 4Å; G113-Y129 VanDerWaalsContact CA-CE2 3.5Å; I123-Y129 HydrophobicContact CD1-CD2 4.46Å; N125-Y129 PolarHBondContact O-N 3.33Å; E126-Y129 PolarHBondContact O-N 3.45Å; Y129-S133 WeakPolarHBondContact O-CB 3.45Å; Y129-S133 PolarHBondContact O-N 2.93Å; Y129-S133 VanDerWaalsContact O-N 3.08Å; Y129-S133 PolarHBondContact O-OG 3.22Å
130F98.6Very high95.6Very high0 Ų040.6 Ų40.60%023%0.233CC..Hα-helixtrans-69.5-42.8177.8-77.3-61.5000112.3F76 I81 I84 L88 W92 W105 W109 E126 D128 I132 S133 L134F76-F130 AromaticContact CE2-CE2 3.9Å; F76-F130 HydrophobicContact CE2-CE2 3.9Å; F76-F130 HydrophobicContact CE2-CZ 4.39Å; I81-F130 HydrophobicContact CD1-CE2 4.45Å; I81-F130 HydrophobicContact CG2-CD2 3.63Å; I81-F130 HydrophobicContact CG2-CE2 4.22Å; I84-F130 HydrophobicContact CD1-CB 3.64Å; L88-F130 HydrophobicContact CD1-CB 4.14Å; L88-F130 HydrophobicContact CD1-CD1 4.1Å; L88-F130 HydrophobicContact CD1-CD2 4.46Å; L88-F130 HydrophobicContact CD1-CG 3.97Å; L88-F130 HydrophobicContact CD2-CB 3.97Å; L88-F130 HydrophobicContact CD2-CD1 3.57Å; L88-F130 HydrophobicContact CD2-CE1 4.44Å; L88-F130 HydrophobicContact CD2-CG 4.01Å; W92-F130 HydrophobicContact CD2-CD1 4.23Å; W92-F130 HydrophobicContact CD2-CE1 4.09Å; W92-F130 AromaticContact CE3-CD1 3.48Å; W92-F130 HydrophobicContact CE3-CD1 3.48Å; W92-F130 VanDerWaalsContact CE3-CD1 3.48Å; W92-F130 AromaticContact CE3-CE1 3.74Å; W92-F130 HydrophobicContact CE3-CE1 3.74Å; W92-F130 HydrophobicContact CH2-CD1 4.09Å; W92-F130 AromaticContact CH2-CE1 3.85Å; W92-F130 HydrophobicContact CH2-CE1 3.85Å; W92-F130 HydrophobicContact CZ2-CE1 4.17Å; W92-F130 AromaticContact CZ3-CD1 3.37Å; W92-F130 HydrophobicContact CZ3-CD1 3.37Å; W92-F130 AromaticContact CZ3-CE1 3.59Å; W92-F130 HydrophobicContact CZ3-CE1 3.59Å; W105-F130 HydrophobicContact CB-CE1 4.17Å; W105-F130 HydrophobicContact CB-CE2 4.45Å; W105-F130 HydrophobicContact CB-CZ 3.7Å; W105-F130 HydrophobicContact CG-CE1 4.33Å; W105-F130 HydrophobicContact CG-CZ 4.31Å; W109-F130 HydrophobicContact CB-CE2 4.37Å; W109-F130 HydrophobicContact CB-CZ 4.41Å; E126-F130 HydrophobicContact CB-CD2 4.24Å; E126-F130 HydrophobicContact CB-CE2 4.15Å; E126-F130 WeakPolarHBondContact O-CD2 2.79Å; E126-F130 PolarHBondContact O-N 3.29Å; D128-F130 PolarHBondContact O-N 2.83Å; F130-I132 PolarHBondContact O-N 2.97Å; F130-S133 PolarHBondContact O-N 2.79Å; F130-L134 WeakPolarHBondContact O-CG 3.21Å; F130-L134 PolarHBondContact O-N 3.08Å
131N98.5Very high96.4Very high67 Ų6743.5 Ų43.536%0.35825%0.248SC..Hα-helixtrans-60.8-44.8175.8-86.4-35.3000112.5I84 L127 D128 S133 L134 A135I84-N131 WeakPolarHBondContact CG2-OD1 3.37Å; L127-N131 VanDerWaalsContact CD1-ND2 3.35Å; L127-N131 WeakPolarHBondContact CD1-ND2 3.22Å; L127-N131 VanDerWaalsContact O-CB 3.28Å; L127-N131 WeakPolarHBondContact O-CB 3.45Å; L127-N131 PolarHBondContact O-N 3.46Å; L127-N131 PolarHBondContact O-ND2 3.41Å; D128-N131 PolarHBondContact O-N 3.39Å; N131-S133 VanDerWaalsContact C-N 3.3Å; N131-S133 PolarHBondContact O-N 2.86Å; N131-L134 PolarHBondContact O-N 2.92Å; N131-A135 WeakPolarHBondContact O-CB 3.28Å; N131-A135 PolarHBondContact O-N 2.91Å
132I98Very high97Very high22 Ų2237.8 Ų37.811%0.11321%0.211CC..Hα-helixtrans-60.9-43.2176.2-78.7165000110.3L57 L122 I123 D128 F130 L134 A135 I136 L201L57-I132 HydrophobicContact CD2-CG2 4.15Å; L122-I132 HydrophobicContact CB-CD1 3.91Å; I123-I132 HydrophobicContact CD1-CD1 4.03Å; I123-I132 HydrophobicContact CG1-CD1 3.43Å; I123-I132 VanDerWaalsContact CG1-CD1 3.43Å; D128-I132 WeakPolarHBondContact O-CB 3.49Å; D128-I132 WeakPolarHBondContact O-CG1 3.24Å; D128-I132 PolarHBondContact O-N 3.23Å; F130-I132 PolarHBondContact O-N 2.97Å; I132-L134 PolarHBondContact O-N 3.4Å; I132-A135 PolarHBondContact O-N 2.95Å; I132-I136 HydrophobicContact CG2-CD1 3.63Å; I132-I136 HydrophobicContact CG2-CG1 4.28Å; I132-I136 WeakPolarHBondContact O-CG1 3.35Å; I132-I136 PolarHBondContact O-N 2.99Å; I132-L201 HydrophobicContact CG1-CD1 4.48Å; I132-L201 HydrophobicContact CG2-CD1 3.66Å; I132-L201 HydrophobicContact CG2-CD2 4.27Å
133S98.7Very high97.5Very high0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans-63.7-41.1178.4-58.40000112.7L57 W92 Y129 F130 N131 I136 K137L57-S133 WeakPolarHBondContact CB-OG 3.25Å; L57-S133 VanDerWaalsContact CD2-OG 3.31Å; L57-S133 WeakPolarHBondContact CD2-OG 3.33Å; W92-S133 VanDerWaalsContact CZ3-OG 3.3Å; W92-S133 WeakPolarHBondContact CZ3-OG 3.24Å; Y129-S133 WeakPolarHBondContact O-CB 3.45Å; Y129-S133 PolarHBondContact O-N 2.93Å; Y129-S133 VanDerWaalsContact O-N 3.08Å; Y129-S133 PolarHBondContact O-OG 3.22Å; F130-S133 PolarHBondContact O-N 2.79Å; N131-S133 VanDerWaalsContact C-N 3.3Å; N131-S133 PolarHBondContact O-N 2.86Å; S133-I136 PolarHBondContact O-N 3.24Å; S133-K137 PolarHBondContact O-N 2.79Å
134L98.8Very high97.7Very high25 Ų2535.8 Ų35.813%0.13121%0.205CC..Hα-helixtrans-63-42.2173.3-70.1171.9000111.7I54 I84 D87 L88 Q91 F130 N131 I132 K137 S138I54-L134 HydrophobicContact CD1-CD2 4.28Å; I84-L134 HydrophobicContact CB-CD1 4.41Å; I84-L134 HydrophobicContact CD1-CD1 4.13Å; D87-L134 HydrophobicContact CB-CD1 3.97Å; D87-L134 HydrophobicContact CB-CD2 4.47Å; L88-L134 HydrophobicContact CD2-CD1 4.06Å; L88-L134 HydrophobicContact CD2-CD2 4.2Å; L88-L134 HydrophobicContact CD2-CG 4.14Å; L88-L134 HydrophobicContact CG-CD1 4.35Å; Q91-L134 HydrophobicContact CB-CD2 3.59Å; Q91-L134 HydrophobicContact CG-CD2 4.05Å; F130-L134 WeakPolarHBondContact O-CG 3.21Å; F130-L134 PolarHBondContact O-N 3.08Å; N131-L134 PolarHBondContact O-N 2.92Å; I132-L134 PolarHBondContact O-N 3.4Å; L134-K137 PolarHBondContact O-N 2.95Å; L134-S138 PolarHBondContact O-N 2.96Å
135A98.6Very high98Very high61 Ų6135.6 Ų35.650%0.50419%0.194SC..Hα-helixtrans-64.1-41.5175.800000111.9N131 I132 S138 R139N131-A135 WeakPolarHBondContact O-CB 3.28Å; N131-A135 PolarHBondContact O-N 2.91Å; I132-A135 PolarHBondContact O-N 2.95Å; A135-S138 PolarHBondContact O-N 3.18Å; A135-R139 WeakPolarHBondContact O-CB 3.35Å; A135-R139 PolarHBondContact O-N 2.84Å
136I98.7Very high98.2Very high7 Ų733.9 Ų33.94%0.03618%0.184CC..Hα-helixtrans-62.6-47.1174.2-65.1162.9000109.9F29 L57 I132 S133 S138 R139 V140 L197 L201F29-I136 HydrophobicContact CB-CG2 4.38Å; F29-I136 HydrophobicContact CD1-CG2 3.5Å; F29-I136 VanDerWaalsContact CD1-CG2 3.5Å; F29-I136 HydrophobicContact CD2-CG2 4.11Å; F29-I136 HydrophobicContact CE1-CB 4.31Å; F29-I136 HydrophobicContact CE1-CG2 3.59Å; F29-I136 HydrophobicContact CE2-CB 4.36Å; F29-I136 HydrophobicContact CE2-CG2 4.2Å; F29-I136 HydrophobicContact CG-CG2 3.74Å; F29-I136 HydrophobicContact CZ-CB 4.19Å; F29-I136 HydrophobicContact CZ-CG2 3.94Å; L57-I136 HydrophobicContact CD1-CD1 3.87Å; L57-I136 HydrophobicContact CD2-CD1 4.07Å; I132-I136 HydrophobicContact CG2-CD1 3.63Å; I132-I136 HydrophobicContact CG2-CG1 4.28Å; I132-I136 WeakPolarHBondContact O-CG1 3.35Å; I132-I136 PolarHBondContact O-N 2.99Å; S133-I136 PolarHBondContact O-N 3.24Å; I136-S138 VanDerWaalsContact C-N 3.3Å; I136-S138 PolarHBondContact O-N 3.4Å; I136-R139 PolarHBondContact O-N 2.96Å; I136-R139 VanDerWaalsContact O-N 3.17Å; I136-V140 HydrophobicContact CG2-CG2 3.96Å; I136-V140 WeakPolarHBondContact O-CB 3.28Å; I136-V140 VanDerWaalsContact O-CG2 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.42Å; I136-V140 PolarHBondContact O-N 2.88Å; I136-L197 HydrophobicContact CD1-CD2 4.33Å; I136-L197 HydrophobicContact CG1-CD2 4.28Å; I136-L197 HydrophobicContact CG2-CD1 4.41Å; I136-L197 HydrophobicContact CG2-CD2 3.97Å; I136-L201 HydrophobicContact CD1-CD2 4.16Å
137K98.7Very high98.3Very high5 Ų538 Ų382%0.02220%0.204CC..Hα-helixtrans-54.3-47.1176.3178.562.6175.261.30111.9F29 L31 D51 F52 I54 S133 L134 V140 N141F29-K137 HydrophobicContact CE1-CB 4.37Å; F29-K137 HydrophobicContact CZ-CB 3.95Å; L31-K137 HydrophobicContact CD1-CD 4.3Å; L31-K137 HydrophobicContact CD2-CD 3.55Å; D51-K137 IonicContact OD1-NZ 3.86Å; D51-K137 IonicContact OD2-NZ 3.67Å; D51-K137 PolarHBondContact OD2-NZ 3.27Å; F52-K137 WeakPolarHBondContact O-CE 3.43Å; I54-K137 HydrophobicContact CD1-CB 3.73Å; I54-K137 HydrophobicContact CD1-CG 4.14Å; I54-K137 HydrophobicContact CG1-CB 4.01Å; I54-K137 HydrophobicContact CG1-CD 4.03Å; I54-K137 HydrophobicContact CG1-CG 4.08Å; S133-K137 PolarHBondContact O-N 2.79Å; L134-K137 PolarHBondContact O-N 2.95Å; K137-V140 PolarHBondContact O-N 2.91Å; K137-N141 PolarHBondContact O-N 3.35Å
138S98.5Very high98.2Very high93 Ų9340.1 Ų40.165%0.6522%0.222SC*.Hα-helixtrans-61.4-45.7177.8-178.50000111.9L134 A135 I136 N141L134-S138 PolarHBondContact O-N 2.96Å; A135-S138 PolarHBondContact O-N 3.18Å; I136-S138 VanDerWaalsContact C-N 3.3Å; I136-S138 PolarHBondContact O-N 3.4Å; S138-N141 WeakPolarHBondContact O-CB 3.5Å
139R98.4Very high98.1Very high142 Ų14240.3 Ų40.354%0.53623%0.225SC..Hα-helixtrans-65.4-39.8176.6178.9-179.5165140.9-1.8112.6A135 I136 R145 F203A135-R139 WeakPolarHBondContact O-CB 3.35Å; A135-R139 PolarHBondContact O-N 2.84Å; I136-R139 PolarHBondContact O-N 2.96Å; I136-R139 VanDerWaalsContact O-N 3.17Å; R139-R145 PolarHBondContact O-NH2 2.83Å; R139-F203 HydrophobicContact CG-CZ 4.08Å
140V98.7Very high97.9Very high0 Ų045.3 Ų45.30%026%0.26CS..Hα-helixtrans-65.8-48179.1165.50000110.4F29 L31 I136 K137 L142 R145 F172 I195 F203F29-V140 HydrophobicContact CD1-CG2 4.27Å; F29-V140 HydrophobicContact CE1-CG2 4.33Å; L31-V140 HydrophobicContact CD1-CG1 3.67Å; I136-V140 HydrophobicContact CG2-CG2 3.96Å; I136-V140 WeakPolarHBondContact O-CB 3.28Å; I136-V140 VanDerWaalsContact O-CG2 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.42Å; I136-V140 PolarHBondContact O-N 2.88Å; K137-V140 PolarHBondContact O-N 2.91Å; V140-L142 VanDerWaalsContact C-N 3.26Å; V140-L142 HydrophobicContact CG1-CB 3.85Å; V140-L142 PolarHBondContact O-N 3.27Å; V140-R145 VanDerWaalsContact O-CD 3.24Å; V140-R145 WeakPolarHBondContact O-CD 3.49Å; V140-R145 PolarHBondContact O-NE 3.08Å; V140-F172 HydrophobicContact CG1-CE1 4.09Å; V140-F172 HydrophobicContact CG1-CZ 4.01Å; V140-I195 HydrophobicContact CB-CD1 4.27Å; V140-I195 HydrophobicContact CG1-CD1 3.41Å; V140-I195 VanDerWaalsContact CG1-CD1 3.41Å; V140-I195 HydrophobicContact CG2-CD1 3.78Å; V140-F203 HydrophobicContact CG2-CE1 3.74Å; V140-F203 HydrophobicContact CG2-CZ 3.81Å
141N98.3Very high97.7Very high67 Ų6745.6 Ų45.636%0.35826%0.261SS..  trans43.950177.8-164.15.9000113.4K137 S138 L143 S144 R145K137-N141 PolarHBondContact O-N 3.35Å; S138-N141 WeakPolarHBondContact O-CB 3.5Å; N141-L143 PolarHBondContact O-N 2.82Å; N141-S144 WeakPolarHBondContact ND2-CB 3.47Å; N141-S144 PolarHBondContact ND2-OG 3.1Å; N141-S144 PolarHBondContact O-N 2.77Å; N141-S144 VanDerWaalsContact OD1-CB 3.22Å; N141-S144 WeakPolarHBondContact OD1-CB 3.31Å; N141-S144 PolarHBondContact OD1-OG 3.35Å; N141-R145 WeakPolarHBondContact O-CG 3.3Å; N141-R145 PolarHBondContact O-N 2.05Å
142L98.7Very high97.5Very high0 Ų045.8 Ų45.80%027%0.265CS..Hα-helixtrans-58.3-49.4-162.4179.957.6000113.5L31 F52 V140 R145 L146 L168 F172 I193L31-L142 HydrophobicContact CB-CD2 4.17Å; L31-L142 HydrophobicContact CD1-CB 3.95Å; L31-L142 HydrophobicContact CD1-CD2 3.73Å; F52-L142 HydrophobicContact CD1-CD2 3.77Å; F52-L142 HydrophobicContact CD2-CB 4.06Å; F52-L142 HydrophobicContact CD2-CD2 3.75Å; F52-L142 HydrophobicContact CD2-CG 3.87Å; F52-L142 HydrophobicContact CE1-CD2 3.79Å; F52-L142 HydrophobicContact CE2-CB 4.42Å; F52-L142 HydrophobicContact CE2-CD2 3.77Å; F52-L142 HydrophobicContact CE2-CG 3.78Å; F52-L142 HydrophobicContact CG-CD2 3.76Å; F52-L142 HydrophobicContact CG-CG 4.37Å; F52-L142 HydrophobicContact CZ-CD2 3.79Å; F52-L142 HydrophobicContact CZ-CG 4.2Å; V140-L142 VanDerWaalsContact C-N 3.26Å; V140-L142 HydrophobicContact CG1-CB 3.85Å; V140-L142 PolarHBondContact O-N 3.27Å; L142-R145 PolarHBondContact O-N 3.38Å; L142-L146 HydrophobicContact CD1-CD1 4.19Å; L142-L146 HydrophobicContact CD1-CG 4.29Å; L142-L146 HydrophobicContact CG-CD1 4.22Å; L142-L146 WeakPolarHBondContact O-CG 3.46Å; L142-L146 PolarHBondContact O-N 2.84Å; L142-L168 HydrophobicContact CD1-CD2 3.85Å; L142-F172 HydrophobicContact CD1-CE2 3.88Å; L142-F172 HydrophobicContact CD1-CZ 3.88Å; L142-I193 HydrophobicContact CD1-CD1 4.28Å; L142-I193 HydrophobicContact CD2-CB 3.82Å; L142-I193 HydrophobicContact CD2-CD1 3.99Å; L142-I193 HydrophobicContact CD2-CG1 4.27Å; L142-I193 HydrophobicContact CD2-CG2 4.14Å
143L98.6Very high97.4Very high18 Ų1845.6 Ų45.69%0.09427%0.265CS..Hα-helixtrans-61.2-51.8-179.1-179.959.7000110.9W33 D51 F52 N141 R145 L146 E147 P153 F266W33-L143 HydrophobicContact CH2-CD1 4.1Å; W33-L143 HydrophobicContact CH2-CD2 4.26Å; W33-L143 HydrophobicContact CZ3-CD1 4.43Å; W33-L143 HydrophobicContact CZ3-CD2 4.46Å; D51-L143 HydrophobicContact CB-CD2 4.47Å; D51-L143 WeakPolarHBondContact OD1-CB 3.25Å; F52-L143 HydrophobicContact CD2-CB 4.11Å; F52-L143 HydrophobicContact CE2-CB 4.33Å; N141-L143 PolarHBondContact O-N 2.82Å; L143-R145 PolarHBondContact O-N 2.79Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.11Å; L143-E147 HydrophobicContact CD1-CG 4.12Å; L143-E147 HydrophobicContact CG-CG 4.33Å; L143-E147 VanDerWaalsContact O-CG 3.3Å; L143-E147 WeakPolarHBondContact O-CG 3.41Å; L143-E147 PolarHBondContact O-N 2.55Å; L143-P153 HydrophobicContact CD1-CG 4Å; L143-F266 HydrophobicContact CD1-CE1 4.21Å; L143-F266 HydrophobicContact CD1-CZ 3.85Å
144S98.6Very high96.9Very high53 Ų5348 Ų4837%0.37128%0.278SS..Hα-helixtrans-57.6-36.2178.6-50.80000112.8N141 E147 S148N141-S144 WeakPolarHBondContact ND2-CB 3.47Å; N141-S144 PolarHBondContact ND2-OG 3.1Å; N141-S144 PolarHBondContact O-N 2.77Å; N141-S144 VanDerWaalsContact OD1-CB 3.22Å; N141-S144 WeakPolarHBondContact OD1-CB 3.31Å; N141-S144 PolarHBondContact OD1-OG 3.35Å; S144-E147 PolarHBondContact O-N 2.96Å; S144-S148 PolarHBondContact O-N 3.14Å
145R98.6Very high96.4Very high65 Ų6550.4 Ų50.425%0.24529%0.291CS..Hα-helixtrans-68.2-39.4175.2-74.8-169.7-165.5-143.12.1112.6R139 V140 N141 L142 L143 S148 L171R139-R145 PolarHBondContact O-NH2 2.83Å; V140-R145 VanDerWaalsContact O-CD 3.24Å; V140-R145 WeakPolarHBondContact O-CD 3.49Å; V140-R145 PolarHBondContact O-NE 3.08Å; N141-R145 WeakPolarHBondContact O-CG 3.3Å; N141-R145 PolarHBondContact O-N 2.05Å; L142-R145 PolarHBondContact O-N 3.38Å; L143-R145 PolarHBondContact O-N 2.79Å; R145-S148 PolarHBondContact O-OG 2.9Å; R145-L171 HydrophobicContact CB-CD1 4.08Å; R145-L171 HydrophobicContact CB-CD2 4.07Å; R145-L171 HydrophobicContact CB-CG 4.5Å; R145-L171 PolarHBondContact NH1-O 3.15Å; R145-L171 WeakPolarHBondContact O-CD1 3.41Å; R145-L171 WeakPolarHBondContact O-CD2 3.44Å
146L98Very high95.8Very high0 Ų055.2 Ų55.20%031%0.307CS..Hα-helixtrans-65.5-42.1174-72.1171.6000110.9F52 L142 L143 S148 V149 S150 I151 L164 L168 L171 F266F52-L146 HydrophobicContact CE2-CD1 4.07Å; F52-L146 HydrophobicContact CZ-CD1 4.23Å; L142-L146 HydrophobicContact CD1-CD1 4.19Å; L142-L146 HydrophobicContact CD1-CG 4.29Å; L142-L146 HydrophobicContact CG-CD1 4.22Å; L142-L146 WeakPolarHBondContact O-CG 3.46Å; L142-L146 PolarHBondContact O-N 2.84Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.11Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.44Å; L146-V149 CarbonylContact O-C 3.59Å; L146-V149 WeakPolarHBondContact O-CG2 3.49Å; L146-V149 PolarHBondContact O-N 3.43Å; L146-V149 VanDerWaalsContact O-N 3.16Å; L146-S150 PolarHBondContact O-N 2.98Å; L146-I151 CarbonylContact C-O 3.46Å; L146-I151 HydrophobicContact CB-CB 4.1Å; L146-I151 HydrophobicContact CB-CG2 4.24Å; L146-I151 WeakPolarHBondContact CB-O 3.45Å; L146-I151 HydrophobicContact CD2-CB 4.25Å; L146-I151 HydrophobicContact CD2-CD1 4.19Å; L146-I151 HydrophobicContact CD2-CG2 4.12Å; L146-I151 WeakPolarHBondContact O-CA 3.37Å; L146-I151 WeakPolarHBondContact O-CB 3.03Å; L146-I151 PolarHBondContact O-N 2.98Å; L146-L164 HydrophobicContact CD2-CD1 3.88Å; L146-L168 HydrophobicContact CD2-CD2 3.87Å; L146-L168 HydrophobicContact CD2-CG 4.34Å; L146-L171 HydrophobicContact CD2-CD1 4.33Å; L146-F266 HydrophobicContact CD1-CE1 4.15Å; L146-F266 HydrophobicContact CD1-CZ 4.2Å
147E96.7Very high95.2Very high88 Ų8858.7 Ų58.741%0.41133%0.329SS..Hα-helixtrans-64.4-34.8179-66.6-179.4153.900112.3L143 S144 V149 S150 I151 T152L143-E147 HydrophobicContact CD1-CG 4.12Å; L143-E147 HydrophobicContact CG-CG 4.33Å; L143-E147 VanDerWaalsContact O-CG 3.3Å; L143-E147 WeakPolarHBondContact O-CG 3.41Å; L143-E147 PolarHBondContact O-N 2.55Å; S144-E147 PolarHBondContact O-N 2.96Å; E147-V149 PolarHBondContact O-N 2.97Å; E147-S150 PolarHBondContact O-N 3.36Å; E147-I151 PolarHBondContact N-O 3.34Å; E147-T152 HydrophobicContact CB-CG2 4.49Å; E147-T152 HydrophobicContact CG-CG2 4.02Å
148S96.2Very high94.7Very high88 Ų8861.4 Ų61.462%0.61535%0.346SS*.Hα-helixtrans-64.5-19.917779.20000113.7S144 R145 L146S144-S148 PolarHBondContact O-N 3.14Å; R145-S148 PolarHBondContact O-OG 2.9Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.44Å
149V94.6Very high94.2Very high46 Ų4658.2 Ų58.228%0.27932%0.321SS..THydrogen-bonded Turntrans-10823.3172.1-610000112.3L146 E147 I151 Q167 L171L146-V149 CarbonylContact O-C 3.59Å; L146-V149 WeakPolarHBondContact O-CG2 3.49Å; L146-V149 PolarHBondContact O-N 3.43Å; L146-V149 VanDerWaalsContact O-N 3.16Å; E147-V149 PolarHBondContact O-N 2.97Å; V149-I151 HydrophobicContact CG2-CD1 4.13Å; V149-I151 HydrophobicContact CG2-CG1 4.2Å; V149-I151 PolarHBondContact O-N 2.84Å; V149-Q167 HydrophobicContact CG2-CB 4.32Å; V149-L171 HydrophobicContact CG1-CD2 3.98Å; V149-L171 HydrophobicContact CG1-CG 4.44Å; V149-L171 HydrophobicContact CG2-CD1 3.99Å
150S93.6Very high93.8Very high105 Ų10557.4 Ų57.473%0.73432%0.322SS*.THydrogen-bonded Turntrans62.919177.3-54.30000115.3L146 E147 T152L146-S150 PolarHBondContact O-N 2.98Å; E147-S150 PolarHBondContact O-N 3.36Å; S150-T152 PolarHBondContact O-N 3.33Å
151I94.5Very high93.5Very high6 Ų660.2 Ų60.23%0.03133%0.332CS..  trans-90.899.6169.4-61.9175.2000107.9L146 E147 V149 L159 M163 L164 Q167 F266L146-I151 CarbonylContact C-O 3.46Å; L146-I151 HydrophobicContact CB-CB 4.1Å; L146-I151 HydrophobicContact CB-CG2 4.24Å; L146-I151 WeakPolarHBondContact CB-O 3.45Å; L146-I151 HydrophobicContact CD2-CB 4.25Å; L146-I151 HydrophobicContact CD2-CD1 4.19Å; L146-I151 HydrophobicContact CD2-CG2 4.12Å; L146-I151 WeakPolarHBondContact O-CA 3.37Å; L146-I151 WeakPolarHBondContact O-CB 3.03Å; L146-I151 PolarHBondContact O-N 2.98Å; E147-I151 PolarHBondContact N-O 3.34Å; V149-I151 HydrophobicContact CG2-CD1 4.13Å; V149-I151 HydrophobicContact CG2-CG1 4.2Å; V149-I151 PolarHBondContact O-N 2.84Å; I151-L159 HydrophobicContact CG2-CD1 3.79Å; I151-L159 HydrophobicContact CG2-CD2 4.4Å; I151-M163 HydrophobicContact CD1-CE 4.36Å; I151-L164 HydrophobicContact CD1-CD1 3.97Å; I151-L164 HydrophobicContact CG2-CD1 4.41Å; I151-Q167 HydrophobicContact CD1-CB 3.83Å; I151-Q167 HydrophobicContact CD1-CG 3.93Å; I151-F266 HydrophobicContact CG2-CD1 4.08Å; I151-F266 HydrophobicContact CG2-CE1 4.37Å
152T94.2Very high93Very high70 Ų7060.8 Ų60.843%0.42934%0.335SS..  trans-114.7153.1179.452.90000110.5E147 S150 N154E147-T152 HydrophobicContact CB-CG2 4.49Å; E147-T152 HydrophobicContact CG-CG2 4.02Å; S150-T152 PolarHBondContact O-N 3.33Å; T152-N154 PolarHBondContact O-N 2.66Å
153P95.7Very high92.7Very high19 Ų1964.4 Ų64.412%0.12335%0.353CS..  trans-56.1126.1171.7-24.433.1000111.6W33 L143 F266 K268W33-P153 HydrophobicContact CH2-CG 3.76Å; W33-P153 HydrophobicContact CZ2-CB 4.01Å; W33-P153 HydrophobicContact CZ2-CG 3.61Å; L143-P153 HydrophobicContact CD1-CG 4Å; P153-F266 CarbonylContact C-O 3.57Å; P153-F266 WeakPolarHBondContact CA-O 3.22Å; P153-F266 HydrophobicContact CB-CD1 4.38Å; P153-F266 HydrophobicContact CB-CE1 4.36Å; P153-F266 HydrophobicContact CB-CZ 4.5Å; P153-F266 HydrophobicContact CG-CD1 4.15Å; P153-F266 HydrophobicContact CG-CE1 3.65Å; P153-F266 HydrophobicContact CG-CE2 4.14Å; P153-F266 HydrophobicContact CG-CZ 3.66Å; P153-K268 HydrophobicContact CB-CB 4.39Å; P153-K268 HydrophobicContact CB-CG 3.96Å; P153-K268 WeakPolarHBondContact O-CE 3.36Å; P153-K268 WeakPolarHBondContact O-CG 3.19Å
154N88.5Confident92.5Very high51 Ų5163.5 Ų63.527%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-149123-179.8-164.8-28.6000111.5T152 L156 V157 I265 F266T152-N154 PolarHBondContact O-N 2.66Å; N154-L156 VanDerWaalsContact C-N 3.32Å; N154-L156 PolarHBondContact OD1-N 2.92Å; N154-V157 HydrophobicContact CB-CB 4.47Å; N154-I265 WeakPolarHBondContact O-CG2 3.32Å; N154-F266 CarbonylContact C-O 3.56Å; N154-F266 PolarHBondContact N-O 3.41Å
155N88.9Confident92.3Very high74 Ų7463 Ų6340%0.39634%0.342SS..EExtended strand (participates in β ladder)trans-78.8-13.9179.8-67.8-22.6000113.8P267 K268N155-P267 WeakPolarHBondContact OD1-CA 3.46Å; N155-P267 WeakPolarHBondContact OD1-CB 3.46Å; N155-K268 PolarHBondContact OD1-N 3.05Å
156L85.3Confident92.1Very high162 Ų16264.5 Ų64.585%0.84835%0.354SS*.EExtended strand (participates in β ladder)trans-108.5-9-170-57.9179.5000113.7N154N154-L156 VanDerWaalsContact C-N 3.32Å; N154-L156 PolarHBondContact OD1-N 2.92Å
157V86Confident91.9Very high81 Ų8167.2 Ų67.249%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-125.6136.7-174.5179.90000109.3N154N154-V157 HydrophobicContact CB-CB 4.47Å
158T89Confident92Very high62 Ų6263 Ų6338%0.3835%0.347SS..EExtended strand (participates in β ladder)trans-90.1142.4171.855.20000110.9E263 L264 I265T158-E263 PolarHBondContact OG1-OE2 3.05Å; T158-L264 CarbonylContact C-O 3.46Å; T158-L264 WeakPolarHBondContact CA-O 3.4Å; T158-I265 HydrophobicContact CG2-CG1 4.15Å
159L87.5Confident92Very high25 Ų2563.3 Ų63.313%0.13134%0.337CS..EExtended strand (participates in β ladder)trans-95.4140168.4-59.7174.5000108.4I151 M163 E263 L264 F266I151-L159 HydrophobicContact CG2-CD1 3.79Å; I151-L159 HydrophobicContact CG2-CD2 4.4Å; L159-M163 HydrophobicContact CB-CE 4.38Å; L159-M163 HydrophobicContact CD2-CE 3.87Å; L159-E263 WeakPolarHBondContact O-CA 3.44Å; L159-L264 HydrophobicContact CB-CD2 4.33Å; L159-L264 HydrophobicContact CB-CG 4.42Å; L159-L264 PolarHBondContact N-O 2.84Å; L159-L264 WeakPolarHBondContact O-CD2 3.48Å; L159-L264 PolarHBondContact O-N 3.08Å; L159-F266 HydrophobicContact CD1-CB 3.75Å
160K89.7Confident92.1Very high126 Ų12666.5 Ų66.555%0.54835%0.353SS..EExtended strand (participates in β ladder)trans-73.9130.4165.9-67.5-171.7177.6-1730109.3D162 M163 L164K160-D162 PolarHBondContact O-N 2.73Å; K160-M163 HydrophobicContact CB-CB 3.99Å; K160-M163 WeakPolarHBondContact O-CB 3.34Å; K160-M163 PolarHBondContact O-N 2.88Å; K160-L164 PolarHBondContact O-N 3.41Å
161R91.6Very high92.3Very high59 Ų5963.1 Ų63.122%0.22333%0.326CS..Hα-helixtrans-54.6-48.1179.5-176.9-174.556.665.813.3112.6L164 L165 I178 C260 P261 E262 L264R161-L164 PolarHBondContact O-N 3.01Å; R161-L165 HydrophobicContact CG-CD1 4.2Å; R161-L165 WeakPolarHBondContact O-CG 3.26Å; R161-L165 PolarHBondContact O-N 2.99Å; R161-I178 HydrophobicContact CG-CD1 3.74Å; R161-C260 WeakPolarHBondContact CD-O 3.33Å; R161-C260 HydrophobicContact CG-CB 4.23Å; R161-P261 VanDerWaalsContact CB-O 3.26Å; R161-P261 WeakPolarHBondContact CB-O 3.17Å; R161-P261 WeakPolarHBondContact CD-O 3.02Å; R161-E262 WeakPolarHBondContact CB-O 3.3Å; R161-E262 PolarHBondContact N-O 2.72Å; R161-L264 HydrophobicContact CB-CD2 4.07Å
162D88.8Confident92.5Very high79 Ų7963.2 Ų63.242%0.42233%0.327SS..Hα-helixtrans-67.1-38.8-178.2-68.1-36000111.3K160 L164 L165 D166K160-D162 PolarHBondContact O-N 2.73Å; D162-L164 PolarHBondContact O-N 3.11Å; D162-L165 PolarHBondContact O-N 3.46Å; D162-D166 WeakPolarHBondContact O-CB 3.24Å; D162-D166 VanDerWaalsContact O-CG 3.24Å; D162-D166 PolarHBondContact O-N 3.39Å
163M91.6Very high92.7Very high75 Ų7564.9 Ų64.937%0.36934%0.341SS..Hα-helixtrans-61.2-43.8172.7-177.4-15775.800111.7I151 L159 K160 D166 Q167I151-M163 HydrophobicContact CD1-CE 4.36Å; L159-M163 HydrophobicContact CB-CE 4.38Å; L159-M163 HydrophobicContact CD2-CE 3.87Å; K160-M163 HydrophobicContact CB-CB 3.99Å; K160-M163 WeakPolarHBondContact O-CB 3.34Å; K160-M163 PolarHBondContact O-N 2.88Å; M163-D166 PolarHBondContact O-N 3.05Å; M163-Q167 VanDerWaalsContact O-CG 3.31Å; M163-Q167 WeakPolarHBondContact O-CG 3.26Å; M163-Q167 PolarHBondContact O-N 3.2Å
164L95.1Very high92.8Very high0 Ų064.6 Ų64.60%034%0.339CS..Hα-helixtrans-62.2-44.5176.8176.559.8000111.3L146 I151 K160 R161 D162 Q167 L168 I178 L190 L264L146-L164 HydrophobicContact CD2-CD1 3.88Å; I151-L164 HydrophobicContact CD1-CD1 3.97Å; I151-L164 HydrophobicContact CG2-CD1 4.41Å; K160-L164 PolarHBondContact O-N 3.41Å; R161-L164 PolarHBondContact O-N 3.01Å; D162-L164 PolarHBondContact O-N 3.11Å; L164-Q167 PolarHBondContact O-N 3.38Å; L164-L168 HydrophobicContact CD1-CD1 3.88Å; L164-L168 HydrophobicContact CD1-CG 4.14Å; L164-L168 HydrophobicContact CG-CD1 3.81Å; L164-L168 WeakPolarHBondContact O-CB 3.05Å; L164-L168 WeakPolarHBondContact O-CD1 3.14Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 3Å; L164-I178 HydrophobicContact CD2-CD1 4.15Å; L164-L190 HydrophobicContact CD2-CD1 4.31Å; L164-L264 HydrophobicContact CD2-CD1 3.9Å; L164-L264 HydrophobicContact CD2-CD2 4.45Å
165L95.1Very high93.1Very high43 Ų4364.5 Ų64.523%0.22534%0.339CS..Hα-helixtrans-62.7-42.8176.4-75.5169.1000112.3R161 D162 L168 K169 I178R161-L165 HydrophobicContact CG-CD1 4.2Å; R161-L165 WeakPolarHBondContact O-CG 3.26Å; R161-L165 PolarHBondContact O-N 2.99Å; D162-L165 PolarHBondContact O-N 3.46Å; L165-L168 PolarHBondContact O-N 3.3Å; L165-K169 WeakPolarHBondContact O-CB 3.28Å; L165-K169 PolarHBondContact O-N 3.2Å; L165-I178 HydrophobicContact CD1-CD1 4.18Å; L165-I178 HydrophobicContact CD2-CD1 3.82Å; L165-I178 HydrophobicContact CD2-CG1 3.93Å; L165-I178 HydrophobicContact CD2-CG2 4.07Å; L165-I178 HydrophobicContact CG-CD1 3.68Å; L165-I178 HydrophobicContact CG-CG1 4.3Å
166D94.2Very high93.5Very high95 Ų9561.2 Ų61.251%0.50832%0.321SS..Hα-helixtrans-63.5-43177.5-72.7-20.8000111.4D162 M163 K169 N170D162-D166 WeakPolarHBondContact O-CB 3.24Å; D162-D166 VanDerWaalsContact O-CG 3.24Å; D162-D166 PolarHBondContact O-N 3.39Å; M163-D166 PolarHBondContact O-N 3.05Å; D166-K169 PolarHBondContact O-N 3.19Å; D166-N170 VanDerWaalsContact O-CG 3.23Å; D166-N170 PolarHBondContact O-N 2.93Å; D166-N170 PolarHBondContact O-ND2 2.84Å
167Q94.2Very high94Very high58 Ų5855.1 Ų55.127%0.27129%0.289SS..Hα-helixtrans-65.7-44.3176.1-69-57.9-3500111.9V149 I151 M163 L164 K169 N170 L171V149-Q167 HydrophobicContact CG2-CB 4.32Å; I151-Q167 HydrophobicContact CD1-CB 3.83Å; I151-Q167 HydrophobicContact CD1-CG 3.93Å; M163-Q167 VanDerWaalsContact O-CG 3.31Å; M163-Q167 WeakPolarHBondContact O-CG 3.26Å; M163-Q167 PolarHBondContact O-N 3.2Å; L164-Q167 PolarHBondContact O-N 3.38Å; Q167-K169 VanDerWaalsContact C-N 3.29Å; Q167-K169 PolarHBondContact O-N 3.41Å; Q167-N170 PolarHBondContact O-N 2.68Å; Q167-N170 VanDerWaalsContact O-N 3.16Å; Q167-L171 WeakPolarHBondContact O-CB 3.49Å; Q167-L171 VanDerWaalsContact O-CG 3.24Å; Q167-L171 WeakPolarHBondContact O-CG 3.35Å; Q167-L171 PolarHBondContact O-N 2.93Å
168L97.7Very high94.5Very high0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-59.7-42174.6-73.4163.8000111.3L142 L146 L164 L165 N170 L171 F172 V176 I178 I193L142-L168 HydrophobicContact CD1-CD2 3.85Å; L146-L168 HydrophobicContact CD2-CD2 3.87Å; L146-L168 HydrophobicContact CD2-CG 4.34Å; L164-L168 HydrophobicContact CD1-CD1 3.88Å; L164-L168 HydrophobicContact CD1-CG 4.14Å; L164-L168 HydrophobicContact CG-CD1 3.81Å; L164-L168 WeakPolarHBondContact O-CB 3.05Å; L164-L168 WeakPolarHBondContact O-CD1 3.14Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 3Å; L165-L168 PolarHBondContact O-N 3.3Å; L168-N170 VanDerWaalsContact C-N 3.34Å; L168-N170 PolarHBondContact O-N 3.21Å; L168-L171 PolarHBondContact O-N 3.08Å; L168-F172 HydrophobicContact CD2-CD2 4.33Å; L168-F172 HydrophobicContact CD2-CE2 3.82Å; L168-F172 VanDerWaalsContact O-CD2 3.25Å; L168-F172 WeakPolarHBondContact O-CD2 2.96Å; L168-F172 PolarHBondContact O-N 3.09Å; L168-V176 HydrophobicContact CB-CG2 3.62Å; L168-V176 HydrophobicContact CD1-CG2 3.68Å; L168-V176 HydrophobicContact CG-CG2 4.13Å; L168-I178 HydrophobicContact CD1-CG2 3.67Å; L168-I193 HydrophobicContact CD1-CD1 3.91Å; L168-I193 HydrophobicContact CD2-CD1 4.16Å
169K97.2Very high94.8Very high93 Ų9351.1 Ų51.140%0.40426%0.26SS..Hα-helixtrans-61-42175-175.8177.1-177.6173.50112.1L165 D166 Q167 S173 V174L165-K169 WeakPolarHBondContact O-CB 3.28Å; L165-K169 PolarHBondContact O-N 3.2Å; D166-K169 PolarHBondContact O-N 3.19Å; Q167-K169 VanDerWaalsContact C-N 3.29Å; Q167-K169 PolarHBondContact O-N 3.41Å; K169-S173 WeakPolarHBondContact O-CA 3.17Å; K169-S173 PolarHBondContact O-N 3.37Å; K169-V174 WeakPolarHBondContact CA-O 3.38Å
170N96.1Very high95Very high114 Ų11450 Ų5061%0.6125%0.254SS*.Hα-helixtrans-65.6-40175.6-67.3-23.7000111.9D166 Q167 L168D166-N170 VanDerWaalsContact O-CG 3.23Å; D166-N170 PolarHBondContact O-N 2.93Å; D166-N170 PolarHBondContact O-ND2 2.84Å; Q167-N170 PolarHBondContact O-N 2.68Å; Q167-N170 VanDerWaalsContact O-N 3.16Å; L168-N170 VanDerWaalsContact C-N 3.34Å; L168-N170 PolarHBondContact O-N 3.21Å
171L97.9Very high95.1Very high33 Ų3344 Ų4417%0.17323%0.227CC..Hα-helixtrans-69.2-32.2-178.9-72.8167.3000113.6R145 L146 V149 Q167 L168R145-L171 HydrophobicContact CB-CD1 4.08Å; R145-L171 HydrophobicContact CB-CD2 4.07Å; R145-L171 HydrophobicContact CB-CG 4.5Å; R145-L171 PolarHBondContact NH1-O 3.15Å; R145-L171 WeakPolarHBondContact O-CD1 3.41Å; R145-L171 WeakPolarHBondContact O-CD2 3.44Å; L146-L171 HydrophobicContact CD2-CD1 4.33Å; V149-L171 HydrophobicContact CG1-CD2 3.98Å; V149-L171 HydrophobicContact CG1-CG 4.44Å; V149-L171 HydrophobicContact CG2-CD1 3.99Å; Q167-L171 WeakPolarHBondContact O-CB 3.49Å; Q167-L171 VanDerWaalsContact O-CG 3.24Å; Q167-L171 WeakPolarHBondContact O-CG 3.35Å; Q167-L171 PolarHBondContact O-N 2.93Å; L168-L171 PolarHBondContact O-N 3.08Å
172F98Very high94.9Very high8 Ų842 Ų424%0.03522%0.221CC..Hα-helixtrans-111.7-8.5-176.7-63.6-68.9000114.1V140 L142 L168 V174 V176 I195 F203V140-F172 HydrophobicContact CG1-CE1 4.09Å; V140-F172 HydrophobicContact CG1-CZ 4.01Å; L142-F172 HydrophobicContact CD1-CE2 3.88Å; L142-F172 HydrophobicContact CD1-CZ 3.88Å; L168-F172 HydrophobicContact CD2-CD2 4.33Å; L168-F172 HydrophobicContact CD2-CE2 3.82Å; L168-F172 VanDerWaalsContact O-CD2 3.25Å; L168-F172 WeakPolarHBondContact O-CD2 2.96Å; L168-F172 PolarHBondContact O-N 3.09Å; F172-V174 HydrophobicContact CB-CG2 3.88Å; F172-V174 PolarHBondContact O-N 2.87Å; F172-V176 HydrophobicContact CD2-CG1 4.15Å; F172-I195 HydrophobicContact CD1-CD1 4.45Å; F172-I195 HydrophobicContact CE1-CD1 3.97Å; F172-I195 HydrophobicContact CE2-CD1 4.09Å; F172-I195 HydrophobicContact CZ-CD1 3.78Å; F172-F203 HydrophobicContact CD1-CD2 4.1Å; F172-F203 AromaticContact CD1-CE2 3.85Å; F172-F203 HydrophobicContact CD1-CE2 3.85Å; F172-F203 HydrophobicContact CD1-CZ 4.3Å; F172-F203 HydrophobicContact CE1-CE2 4.4Å
173S97.8Very high94.8Very high105 Ų10541.5 Ų41.573%0.73421%0.213SC*.SBendtrans59.415.9-171.7-57.20000114.8K169K169-S173 WeakPolarHBondContact O-CA 3.17Å; K169-S173 PolarHBondContact O-N 3.37Å
174V97.7Very high94.2Very high14 Ų1440.4 Ų40.49%0.08521%0.207CC..SBendtrans-144.6157.7-178.6-62.20000110.7K169 F172 F203 D205K169-V174 WeakPolarHBondContact CA-O 3.38Å; F172-V174 HydrophobicContact CB-CG2 3.88Å; F172-V174 PolarHBondContact O-N 2.87Å; V174-F203 HydrophobicContact CG1-CB 4.38Å; V174-F203 HydrophobicContact CG2-CB 3.88Å; V174-D205 WeakPolarHBondContact CA-OD1 3.15Å
175N96.6Very high93.2Very high49 Ų4944.5 Ų44.526%0.26223%0.225SC..  trans-74.8134.6173.7-59.5-74.5000110.5D205 C206N175-D205 WeakPolarHBondContact CB-OD1 3.28Å; N175-D205 PolarHBondContact N-OD1 3.37Å; N175-D205 PolarHBondContact ND2-OD1 3.27Å; N175-C206 PolarHBondContact O-N 3.31Å
176V96.9Very high92.6Very high4 Ų445.8 Ų45.82%0.02423%0.23CC..  trans-115.5169.2177-56.30000110.3L168 F172 I178 I193 R194 I195L168-V176 HydrophobicContact CB-CG2 3.62Å; L168-V176 HydrophobicContact CD1-CG2 3.68Å; L168-V176 HydrophobicContact CG-CG2 4.13Å; F172-V176 HydrophobicContact CD2-CG1 4.15Å; V176-I178 HydrophobicContact CG2-CG2 4.44Å; V176-I193 HydrophobicContact CG2-CG2 4.34Å; V176-R194 WeakPolarHBondContact CB-O 3.26Å; V176-I195 HydrophobicContact CG1-CG1 3.96Å
177L95.2Very high92.2Very high34 Ų3444 Ų4418%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-105.9140.4173.7-52.4174.5000109.9Y179 I193 R194 C206 T208L177-Y179 HydrophobicContact CB-CE2 3.65Å; L177-Y179 HydrophobicContact CD1-CE2 4.46Å; L177-I193 CarbonylContact O-C 3.52Å; L177-I193 WeakPolarHBondContact O-CA 3.46Å; L177-R194 HydrophobicContact CB-CB 4.18Å; L177-R194 PolarHBondContact N-O 2.89Å; L177-R194 PolarHBondContact O-N 3.27Å; L177-C206 HydrophobicContact CD1-CB 4.16Å; L177-C206 HydrophobicContact CD2-CB 3.95Å; L177-C206 HydrophobicContact CG-CB 3.69Å; L177-T208 HydrophobicContact CD2-CG2 3.68Å
178I96Very high91.9Very high15 Ų1541.4 Ų41.48%0.07721%0.213CC..EExtended strand (participates in β ladder)trans-125.8135.2175.564.1178000110.4R161 L164 L165 L168 V176 L190 E192 I193 C260R161-I178 HydrophobicContact CG-CD1 3.74Å; L164-I178 HydrophobicContact CD2-CD1 4.15Å; L165-I178 HydrophobicContact CD1-CD1 4.18Å; L165-I178 HydrophobicContact CD2-CD1 3.82Å; L165-I178 HydrophobicContact CD2-CG1 3.93Å; L165-I178 HydrophobicContact CD2-CG2 4.07Å; L165-I178 HydrophobicContact CG-CD1 3.68Å; L165-I178 HydrophobicContact CG-CG1 4.3Å; L168-I178 HydrophobicContact CD1-CG2 3.67Å; V176-I178 HydrophobicContact CG2-CG2 4.44Å; I178-L190 HydrophobicContact CB-CD1 4.45Å; I178-E192 WeakPolarHBondContact CA-O 3.28Å; I178-I193 HydrophobicContact CG2-CD1 4.33Å; I178-I193 HydrophobicContact CG2-CG1 4.02Å; I178-C260 HydrophobicContact CD1-CB 4.18Å; I178-C260 HydrophobicContact CG1-CB 4.18Å
179Y94.9Very high91.8Very high45 Ų4543.2 Ų43.218%0.17622%0.219CC..EExtended strand (participates in β ladder)trans-125.9146.6-180-58.5-96.5000110.1L177 S191 E192 R194 N257 V258L177-Y179 HydrophobicContact CB-CE2 3.65Å; L177-Y179 HydrophobicContact CD1-CE2 4.46Å; Y179-S191 PolarHBondContact O-N 2.91Å; Y179-E192 HydrophobicContact CD2-CB 4.31Å; Y179-E192 PolarHBondContact N-O 3.33Å; Y179-E192 PolarHBondContact O-N 2.84Å; Y179-E192 VanDerWaalsContact O-N 3.08Å; Y179-R194 HydrophobicContact CD2-CG 4.24Å; Y179-R194 HydrophobicContact CE2-CG 3.82Å; Y179-N257 WeakPolarHBondContact CD1-O 3.49Å; Y179-V258 CarbonylContact C-O 3.52Å; Y179-V258 VanDerWaalsContact CA-O 3.26Å; Y179-V258 WeakPolarHBondContact CA-O 3.48Å
180C93.1Very high91.8Very high0 Ų038.8 Ų38.80%020%0.2CC..EExtended strand (participates in β ladder)trans-128.5156.2-179.1-73.10000110.9R189 N257 V258 C260 L264C180-R189 CarbonylContact C-O 3.5Å; C180-R189 WeakPolarHBondContact CA-O 3.44Å; C180-R189 VanDerWaalsContact CB-O 3.28Å; C180-R189 WeakPolarHBondContact CB-O 3.42Å; C180-N257 PolarHBondContact O-N 3.08Å; C180-V258 PolarHBondContact N-O 2.74Å; C180-V258 WeakPolarHBondContact O-CG2 3.27Å; C180-V258 PolarHBondContact O-N 2.76Å; C180-C260 HydrophobicContact CB-CB 3.95Å; C180-C260 WeakPolarHBondContact CB-SG 3.48Å; C180-C260 PolarHBondContact N-SG 3.06Å; C180-C260 WeakPolarHBondContact SG-CB 3.32Å; C180-C260 CovalentContact SG-SG 2.05Å; C180-C260 PolarHBondContact SG-SG 2.91Å; C180-L264 VanDerWaalsContact SG-CD1 3.51Å
181S92.3Very high91.8Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-125.5146.9172.3-60.50000110.5R189 S191 S255 N256 N257S181-R189 PolarHBondContact N-O 3.06Å; S181-R189 PolarHBondContact O-N 3.18Å; S181-S191 WeakPolarHBondContact OG-CB 3.25Å; S181-S191 PolarHBondContact OG-OG 3.17Å; S181-S255 CarbonylContact C-O 3.38Å; S181-S255 VanDerWaalsContact CA-O 3.25Å; S181-S255 WeakPolarHBondContact CA-O 3.16Å; S181-N256 WeakPolarHBondContact OG-CA 3.4Å; S181-N256 PolarHBondContact OG-OD1 2.94Å; S181-N257 PolarHBondContact OG-N 2.97Å
182M86.9Confident91.9Very high17 Ų1732.1 Ų32.18%0.08417%0.165CC..EExtended strand (participates in β ladder)trans-151.2143.5-178.755.7-172.665.200111.7F223 L254 S255 P261M182-F223 HydrophobicContact SD-CE1 4.12Å; M182-F223 HydrophobicContact SD-CZ 3.55Å; M182-F223 VanDerWaalsContact SD-CZ 3.55Å; M182-L254 WeakPolarHBondContact O-CD1 3.35Å; M182-S255 PolarHBondContact N-O 3.45Å; M182-S255 PolarHBondContact O-N 2.04Å; M182-P261 HydrophobicContact CE-CB 4.46Å; M182-P261 HydrophobicContact CE-CG 3.76Å
183R85.9Confident91.9Very high70 Ų7031.7 Ų31.726%0.26416%0.163SC..EExtended strand (participates in β ladder)trans-89.4156161.3-64.4-178.4176.9-177.3-6.2108.4F39 I40 T42 H185 Q186F39-R183 HydrophobicContact CE1-CB 4.44Å; F39-R183 HydrophobicContact CE1-CG 3.84Å; F39-R183 HydrophobicContact CZ-CB 4.22Å; F39-R183 HydrophobicContact CZ-CG 3.83Å; F39-R183 PolarHBondContact O-NE 2.98Å; F39-R183 PolarHBondContact O-NH2 2.82Å; I40-R183 HydrophobicContact CD1-CG 4.19Å; I40-R183 PolarHBondContact O-NH2 2.91Å; T42-R183 PolarHBondContact OG1-NH2 2.91Å; R183-H185 PolarHBondContact O-N 2.93Å; R183-Q186 WeakPolarHBondContact O-CB 3.46Å; R183-Q186 PolarHBondContact O-N 2.79Å
184K79Confident91.9Very high52 Ų5228.5 Ų28.523%0.22614%0.135CC..THydrogen-bonded Turntrans-47.8137.2177.6-163.1-178.1177.8165.10111.9Q186 Q249 I253K184-Q186 PolarHBondContact O-N 2.57Å; K184-Q186 VanDerWaalsContact O-N 3.11Å; K184-Q249 HydrophobicContact CD-CB 4.19Å; K184-I253 HydrophobicContact CB-CB 4.33Å; K184-I253 HydrophobicContact CD-CB 4.49Å; K184-I253 HydrophobicContact CD-CD1 4.39Å; K184-I253 HydrophobicContact CD-CG1 4.49Å; K184-I253 PolarHBondContact N-O 3.06Å
185H74.5Confident91.9Very high85 Ų8527.9 Ų27.939%0.39413%0.131SC..THydrogen-bonded Turntrans60.89.9-179.4-54.2-61000116.1R183 C246R183-H185 PolarHBondContact O-N 2.93Å; H185-C246 PolarHBondContact CD2-O 3.1Å
186Q82Confident92Very high71 Ų7125.6 Ų25.633%0.33212%0.119SC..SBendtrans-107.3149.1172.8-61.2-159.927.200110.9R183 K184 R189R183-Q186 WeakPolarHBondContact O-CB 3.46Å; R183-Q186 PolarHBondContact O-N 2.79Å; K184-Q186 PolarHBondContact O-N 2.57Å; K184-Q186 VanDerWaalsContact O-N 3.11Å; Q186-R189 VanDerWaalsContact OE1-CZ 3.31Å
187P85.6Confident92Very high58 Ų5825.5 Ų25.538%0.37712%0.118SC..  trans-59.6151174.425.1-34.4000111.2R189 I265P187-R189 PolarHBondContact O-N 3.38Å; P187-R189 PolarHBondContact O-NH1 3.3Å; P187-I265 HydrophobicContact CB-CD1 3.99Å; P187-I265 HydrophobicContact CB-CG1 4.08Å; P187-I265 HydrophobicContact CG-CD1 3.3Å; P187-I265 HydrophobicContact CG-CG1 3.96Å
188G89.6Confident92Very high3 Ų325.4 Ų25.43%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-58.3136.117100000110.7L264 I265G188-L264 CarbonylContact O-C 3.29Å; G188-L264 VanDerWaalsContact O-CA 3.27Å; G188-L264 WeakPolarHBondContact O-CA 3.2Å; G188-I265 PolarHBondContact O-N 3.28Å
189R94.6Very high91.8Very high38 Ų3826 Ų2614%0.14312%0.123CC..EExtended strand (participates in β ladder)trans-113.7133175.1-68.7177174.983.6-11.1109.5T36 F39 C180 S181 Q186 P187 S191 I265 P267T36-R189 HydrophobicContact CG2-CB 3.78Å; T36-R189 WeakPolarHBondContact OG1-CB 3.46Å; F39-R189 VanDerWaalsContact CE1-NH1 3.33Å; C180-R189 CarbonylContact C-O 3.5Å; C180-R189 WeakPolarHBondContact CA-O 3.44Å; C180-R189 VanDerWaalsContact CB-O 3.28Å; C180-R189 WeakPolarHBondContact CB-O 3.42Å; S181-R189 PolarHBondContact N-O 3.06Å; S181-R189 PolarHBondContact O-N 3.18Å; Q186-R189 VanDerWaalsContact OE1-CZ 3.31Å; P187-R189 PolarHBondContact O-N 3.38Å; P187-R189 PolarHBondContact O-NH1 3.3Å; R189-S191 PolarHBondContact O-N 3.28Å; R189-S191 VanDerWaalsContact O-N 3.1Å; R189-I265 CarbonylContact C-O 3.52Å; R189-I265 VanDerWaalsContact CA-O 3.27Å; R189-I265 WeakPolarHBondContact CA-O 3.33Å; R189-I265 HydrophobicContact CG-CB 4.19Å; R189-P267 HydrophobicContact CB-CG 4.26Å; R189-P267 HydrophobicContact CG-CG 4.43Å
190L97Very high91.8Very high0 Ų028.4 Ų28.40%015%0.146CC..EExtended strand (participates in β ladder)trans-54.7116.6175.8-176.663.8000108.9T36 F52 L164 I178 I193 L264 I265 F266T36-L190 WeakPolarHBondContact CB-O 2.91Å; T36-L190 PolarHBondContact OG1-O 3.5Å; F52-L190 HydrophobicContact CE1-CD2 4.42Å; F52-L190 HydrophobicContact CZ-CD2 4.07Å; L164-L190 HydrophobicContact CD2-CD1 4.31Å; I178-L190 HydrophobicContact CB-CD1 4.45Å; L190-I193 HydrophobicContact CD1-CD1 4.25Å; L190-I193 HydrophobicContact CD1-CG1 3.97Å; L190-I193 HydrophobicContact CD2-CD1 4Å; L190-I193 HydrophobicContact CD2-CG1 4.39Å; L190-L264 HydrophobicContact CB-CD1 3.89Å; L190-L264 HydrophobicContact CD1-CD1 4Å; L190-L264 HydrophobicContact CG-CD1 4.49Å; L190-I265 PolarHBondContact N-O 2.9Å; L190-F266 HydrophobicContact CB-CD2 4.28Å; L190-F266 HydrophobicContact CD2-CD2 3.66Å; L190-F266 HydrophobicContact CD2-CE2 3.91Å; L190-F266 HydrophobicContact CD2-CG 4.17Å
191S97Very high91.9Very high6 Ų630 Ų304%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-108-40.7-175-165.90000111.2E32 W33 Y179 S181 R189 N257E32-S191 CarbonylContact C-O 3.51Å; E32-S191 WeakPolarHBondContact CA-O 3.49Å; W33-S191 PolarHBondContact N-O 2.81Å; Y179-S191 PolarHBondContact O-N 2.91Å; S181-S191 WeakPolarHBondContact OG-CB 3.25Å; S181-S191 PolarHBondContact OG-OG 3.17Å; R189-S191 PolarHBondContact O-N 3.28Å; R189-S191 VanDerWaalsContact O-N 3.1Å; S191-N257 WeakPolarHBondContact CB-OD1 3.44Å; S191-N257 PolarHBondContact OG-OD1 3.14Å
192E98.3Very high92.1Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-152.2141.8-172.7-153.5169.9119.700110.9S30 L31 E32 H55 I178 Y179 R194 N257S30-E192 VanDerWaalsContact OG-CG 3.24Å; S30-E192 WeakPolarHBondContact OG-CG 3.18Å; S30-E192 PolarHBondContact OG-OE1 3.33Å; L31-E192 CarbonylContact O-C 2.98Å; L31-E192 VanDerWaalsContact O-CA 3.29Å; L31-E192 WeakPolarHBondContact O-CA 3.45Å; L31-E192 WeakPolarHBondContact O-CG 3.25Å; E32-E192 HydrophobicContact CB-CG 4.36Å; H55-E192 IonicContact CE1-OE2 2.68Å; H55-E192 IonicContact ND1-OE1 3.9Å; H55-E192 IonicContact ND1-OE2 3.77Å; H55-E192 PolarHBondContact ND1-OE2 2.87Å; H55-E192 VanDerWaalsContact ND1-OE2 3.11Å; I178-E192 WeakPolarHBondContact CA-O 3.28Å; Y179-E192 HydrophobicContact CD2-CB 4.31Å; Y179-E192 PolarHBondContact N-O 3.33Å; Y179-E192 PolarHBondContact O-N 2.84Å; Y179-E192 VanDerWaalsContact O-N 3.08Å; E192-R194 HydrophobicContact CG-CG 4.42Å; E192-R194 IonicContact OE1-CZ 2.84Å; E192-R194 IonicContact OE1-NE 3.16Å; E192-R194 PolarHBondContact OE1-NE 3.11Å; E192-R194 IonicContact OE1-NH2 3.98Å; E192-R194 PolarHBondContact OE1-NH2 2.97Å; E192-N257 PolarHBondContact OE2-ND2 3Å
193I98.5Very high92.7Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-121.6128.7167.3-61.8-171.5000107.3L31 F52 L142 L168 V176 L177 I178 L190L31-I193 PolarHBondContact N-O 3.06Å; L31-I193 PolarHBondContact O-N 3.44Å; F52-I193 HydrophobicContact CE1-CD1 4.5Å; F52-I193 HydrophobicContact CE1-CG1 4.43Å; F52-I193 HydrophobicContact CZ-CD1 4.34Å; L142-I193 HydrophobicContact CD1-CD1 4.28Å; L142-I193 HydrophobicContact CD2-CB 3.82Å; L142-I193 HydrophobicContact CD2-CD1 3.99Å; L142-I193 HydrophobicContact CD2-CG1 4.27Å; L142-I193 HydrophobicContact CD2-CG2 4.14Å; L168-I193 HydrophobicContact CD1-CD1 3.91Å; L168-I193 HydrophobicContact CD2-CD1 4.16Å; V176-I193 HydrophobicContact CG2-CG2 4.34Å; L177-I193 CarbonylContact O-C 3.52Å; L177-I193 WeakPolarHBondContact O-CA 3.46Å; I178-I193 HydrophobicContact CG2-CD1 4.33Å; I178-I193 HydrophobicContact CG2-CG1 4.02Å; L190-I193 HydrophobicContact CD1-CD1 4.25Å; L190-I193 HydrophobicContact CD1-CG1 3.97Å; L190-I193 HydrophobicContact CD2-CD1 4Å; L190-I193 HydrophobicContact CD2-CG1 4.39Å
194R98.1Very high93.2Very high38 Ų3834.6 Ų34.614%0.14318%0.179CC..EExtended strand (participates in β ladder)trans-114.8131.5177.4-49.9-176.2-177.7-177.5-11.1111.1V28 F29 V176 L177 Y179 E192V28-R194 HydrophobicContact CG1-CB 3.87Å; V28-R194 HydrophobicContact CG1-CG 4.24Å; F29-R194 VanDerWaalsContact O-CA 3.29Å; F29-R194 WeakPolarHBondContact O-CA 3.43Å; V176-R194 WeakPolarHBondContact CB-O 3.26Å; L177-R194 HydrophobicContact CB-CB 4.18Å; L177-R194 PolarHBondContact N-O 2.89Å; L177-R194 PolarHBondContact O-N 3.27Å; Y179-R194 HydrophobicContact CD2-CG 4.24Å; Y179-R194 HydrophobicContact CE2-CG 3.82Å; E192-R194 HydrophobicContact CG-CG 4.42Å; E192-R194 IonicContact OE1-CZ 2.84Å; E192-R194 IonicContact OE1-NE 3.16Å; E192-R194 PolarHBondContact OE1-NE 3.11Å; E192-R194 IonicContact OE1-NH2 3.98Å; E192-R194 PolarHBondContact OE1-NH2 2.97Å
195I98.4Very high94.1Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-115.6132.1179.6-59.8167.1000107.8F29 V140 F172 V176 F203F29-I195 PolarHBondContact N-O 2.77Å; F29-I195 PolarHBondContact O-N 3.46Å; V140-I195 HydrophobicContact CB-CD1 4.27Å; V140-I195 HydrophobicContact CG1-CD1 3.41Å; V140-I195 VanDerWaalsContact CG1-CD1 3.41Å; V140-I195 HydrophobicContact CG2-CD1 3.78Å; F172-I195 HydrophobicContact CD1-CD1 4.45Å; F172-I195 HydrophobicContact CE1-CD1 3.97Å; F172-I195 HydrophobicContact CE2-CD1 4.09Å; F172-I195 HydrophobicContact CZ-CD1 3.78Å; V176-I195 HydrophobicContact CG1-CG1 3.96Å; I195-F203 HydrophobicContact CG2-CD1 3.72Å; I195-F203 HydrophobicContact CG2-CE1 4.13Å; I195-F203 HydrophobicContact CG2-CG 4.38Å
196C98Very high95.1Very high2 Ų232.2 Ų32.21%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-94.4139.3179.9-61.40000110.1F27 I204 C206F27-C196 CarbonylContact O-C 3.51Å; F27-C196 VanDerWaalsContact O-CA 3.24Å; F27-C196 WeakPolarHBondContact O-CA 3.43Å; C196-I204 HydrophobicContact CB-CG1 3.96Å; C196-I204 PolarHBondContact O-N 3.46Å; C196-C206 HydrophobicContact CB-CB 4.02Å; C196-C206 WeakPolarHBondContact CB-SG 3.4Å; C196-C206 PolarHBondContact N-SG 2.93Å; C196-C206 WeakPolarHBondContact SG-CA 3.1Å; C196-C206 WeakPolarHBondContact SG-CB 3.34Å; C196-C206 CovalentContact SG-SG 2.05Å; C196-C206 PolarHBondContact SG-SG 3.19Å
197L97.5Very high95.2Very high1 Ų133 Ų331%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-126.5141.1177.9-49.696.6000110.7H26 F27 F29 I136 L201 E202 F203H26-L197 CarbonylContact C-O 3.5Å; H26-L197 WeakPolarHBondContact CA-O 3.35Å; H26-L197 VanDerWaalsContact CB-O 3.27Å; H26-L197 WeakPolarHBondContact CB-O 3.43Å; F27-L197 HydrophobicContact CB-CB 4.35Å; F27-L197 HydrophobicContact CB-CD1 4.21Å; F27-L197 PolarHBondContact N-O 3.23Å; F27-L197 PolarHBondContact O-N 3.39Å; F29-L197 HydrophobicContact CB-CD1 3.52Å; I136-L197 HydrophobicContact CD1-CD2 4.33Å; I136-L197 HydrophobicContact CG1-CD2 4.28Å; I136-L197 HydrophobicContact CG2-CD1 4.41Å; I136-L197 HydrophobicContact CG2-CD2 3.97Å; L197-L201 HydrophobicContact CD2-CB 4.45Å; L197-L201 WeakPolarHBondContact CD2-O 3.34Å; L197-E202 CarbonylContact C-O 3.51Å; L197-E202 WeakPolarHBondContact CA-O 3.36Å; L197-F203 HydrophobicContact CD2-CD1 3.92Å; L197-F203 HydrophobicContact CD2-CE1 3.98Å; L197-F203 HydrophobicContact CG-CD1 4.2Å
198N94.9Very high94.6Very high32 Ų3233.9 Ų33.917%0.17118%0.179CC..  trans-68.2170.6168.469.715.7000110.5S200 L201 E202 I204N198-S200 PolarHBondContact O-N 3.49Å; N198-S200 VanDerWaalsContact OD1-C 3.24Å; N198-S200 VanDerWaalsContact OD1-CA 3.28Å; N198-S200 WeakPolarHBondContact OD1-CA 3.29Å; N198-S200 WeakPolarHBondContact OD1-CB 3.42Å; N198-S200 PolarHBondContact OD1-N 3.19Å; N198-L201 WeakPolarHBondContact O-CA 3.31Å; N198-L201 PolarHBondContact O-N 3.36Å; N198-L201 PolarHBondContact OD1-N 3.16Å; N198-L201 VanDerWaalsContact OD1-N 3.09Å; N198-E202 PolarHBondContact N-O 2.72Å; N198-E202 PolarHBondContact ND2-OE2 3.25Å; N198-E202 PolarHBondContact OD1-N 2.89Å; N198-I204 HydrophobicContact CB-CD1 4.27Å; N198-I204 HydrophobicContact CB-CG2 3.84Å
199P92.5Very high93Very high29 Ų2934.6 Ų34.619%0.18818%0.184CC..THydrogen-bonded Turntrans-61.5-13.8176.3-24.935000114.9W24 D25 H120 L201W24-P199 HydrophobicContact CH2-CB 3.73Å; W24-P199 HydrophobicContact CH2-CG 3.92Å; W24-P199 HydrophobicContact CZ3-CB 4.1Å; W24-P199 HydrophobicContact CZ3-CG 3.79Å; D25-P199 WeakPolarHBondContact O-CD 3.23Å; H120-P199 PolarHBondContact CD2-O 3.4Å; H120-P199 PolarHBondContact NE2-O 3.02Å; P199-L201 VanDerWaalsContact C-N 3.28Å
200S93.4Very high90.6Very high94 Ų9437.4 Ų37.466%0.65721%0.209SC*.THydrogen-bonded Turntrans-89.48.4171.5-56.10000112.9N198 E202N198-S200 PolarHBondContact O-N 3.49Å; N198-S200 VanDerWaalsContact OD1-C 3.24Å; N198-S200 VanDerWaalsContact OD1-CA 3.28Å; N198-S200 WeakPolarHBondContact OD1-CA 3.29Å; N198-S200 WeakPolarHBondContact OD1-CB 3.42Å; N198-S200 PolarHBondContact OD1-N 3.19Å; S200-E202 VanDerWaalsContact C-N 3.26Å; S200-E202 PolarHBondContact O-N 2.89Å
201L95.6Very high87.8Confident33 Ų3339.9 Ų39.917%0.17323%0.23CC..SBendtrans63.425.7179.6-48.9179.2000114.2F27 I132 I136 L197 N198 P199F27-L201 HydrophobicContact CD2-CD2 3.8Å; F27-L201 HydrophobicContact CE2-CD2 3.82Å; I132-L201 HydrophobicContact CG1-CD1 4.48Å; I132-L201 HydrophobicContact CG2-CD1 3.66Å; I132-L201 HydrophobicContact CG2-CD2 4.27Å; I136-L201 HydrophobicContact CD1-CD2 4.16Å; L197-L201 HydrophobicContact CD2-CB 4.45Å; L197-L201 WeakPolarHBondContact CD2-O 3.34Å; N198-L201 WeakPolarHBondContact O-CA 3.31Å; N198-L201 PolarHBondContact O-N 3.36Å; N198-L201 PolarHBondContact OD1-N 3.16Å; N198-L201 VanDerWaalsContact OD1-N 3.09Å; P199-L201 VanDerWaalsContact C-N 3.28Å
202E97.5Very high85.1Confident109 Ų10942 Ų4251%0.50924%0.24SC..  trans-91.3144.1170.9-53.2178.6138.600110.3L197 N198 S200 I204L197-E202 CarbonylContact C-O 3.51Å; L197-E202 WeakPolarHBondContact CA-O 3.36Å; N198-E202 PolarHBondContact N-O 2.72Å; N198-E202 PolarHBondContact ND2-OE2 3.25Å; N198-E202 PolarHBondContact OD1-N 2.89Å; S200-E202 VanDerWaalsContact C-N 3.26Å; S200-E202 PolarHBondContact O-N 2.89Å; E202-I204 PolarHBondContact O-N 2.85Å
203F98.3Very high82.3Confident32 Ų3249.8 Ų49.814%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-64.3132178.1-54.8-39.4000110.6R139 V140 F172 V174 I195 L197R139-F203 HydrophobicContact CG-CZ 4.08Å; V140-F203 HydrophobicContact CG2-CE1 3.74Å; V140-F203 HydrophobicContact CG2-CZ 3.81Å; F172-F203 HydrophobicContact CD1-CD2 4.1Å; F172-F203 AromaticContact CD1-CE2 3.85Å; F172-F203 HydrophobicContact CD1-CE2 3.85Å; F172-F203 HydrophobicContact CD1-CZ 4.3Å; F172-F203 HydrophobicContact CE1-CE2 4.4Å; V174-F203 HydrophobicContact CG1-CB 4.38Å; V174-F203 HydrophobicContact CG2-CB 3.88Å; I195-F203 HydrophobicContact CG2-CD1 3.72Å; I195-F203 HydrophobicContact CG2-CE1 4.13Å; I195-F203 HydrophobicContact CG2-CG 4.38Å; L197-F203 HydrophobicContact CD2-CD1 3.92Å; L197-F203 HydrophobicContact CD2-CE1 3.98Å; L197-F203 HydrophobicContact CG-CD1 4.2Å
204I97.7Very high79.3Confident43 Ų4354.6 Ų54.622%0.22130%0.299CS..EExtended strand (participates in β ladder)trans-131163.8175.160.7171.5000109.8H26 W62 C196 N198 E202 C206H26-I204 HydrophobicContact CB-CD1 3.77Å; W62-I204 HydrophobicContact CZ2-CD1 4.08Å; C196-I204 HydrophobicContact CB-CG1 3.96Å; C196-I204 PolarHBondContact O-N 3.46Å; N198-I204 HydrophobicContact CB-CD1 4.27Å; N198-I204 HydrophobicContact CB-CG2 3.84Å; E202-I204 PolarHBondContact O-N 2.85Å; I204-C206 PolarHBondContact O-N 3.12Å
205D96.7Very high76.5Confident85 Ų8557 Ų5746%0.45532%0.315SS..  trans-58.6124.1172.7-76-43.7000110.8W62 V174 N175W62-D205 WeakPolarHBondContact CH2-O 3.27Å; V174-D205 WeakPolarHBondContact CA-OD1 3.15Å; N175-D205 WeakPolarHBondContact CB-OD1 3.28Å; N175-D205 PolarHBondContact N-OD1 3.37Å; N175-D205 PolarHBondContact ND2-OD1 3.27Å
206C94.7Very high73.7Confident2 Ų260.6 Ų60.61%0.01433%0.331CS..  trans-66.7140160-71.40000110N175 L177 C196 I204 T208N175-C206 PolarHBondContact O-N 3.31Å; L177-C206 HydrophobicContact CD1-CB 4.16Å; L177-C206 HydrophobicContact CD2-CB 3.95Å; L177-C206 HydrophobicContact CG-CB 3.69Å; C196-C206 HydrophobicContact CB-CB 4.02Å; C196-C206 WeakPolarHBondContact CB-SG 3.4Å; C196-C206 PolarHBondContact N-SG 2.93Å; C196-C206 WeakPolarHBondContact SG-CA 3.1Å; C196-C206 WeakPolarHBondContact SG-CB 3.34Å; C196-C206 CovalentContact SG-SG 2.05Å; C196-C206 PolarHBondContact SG-SG 3.19Å; I204-C206 PolarHBondContact O-N 3.12Å; C206-T208 PolarHBondContact O-N 3.32Å
207F85.5Confident71Confident87 Ų8766.4 Ų66.438%0.38236%0.358SS..  trans-64.2112.1174.7-176.2-90.1000110.3W62 P63 H64W62-F207 HydrophobicContact CE3-CB 3.49Å; W62-F207 VanDerWaalsContact CE3-CB 3.49Å; W62-F207 HydrophobicContact CE3-CG 4.34Å; W62-F207 HydrophobicContact CH2-CB 4.19Å; W62-F207 HydrophobicContact CZ3-CB 3.24Å; W62-F207 HydrophobicContact CZ3-CG 4.47Å; P63-F207 HydrophobicContact CB-CD1 3.76Å; P63-F207 HydrophobicContact CB-CD2 4.36Å; P63-F207 HydrophobicContact CB-CE1 3.58Å; P63-F207 HydrophobicContact CB-CE2 4.24Å; P63-F207 HydrophobicContact CB-CG 4.13Å; P63-F207 HydrophobicContact CB-CZ 3.85Å; H64-F207 AromaticContact CE1-CD1 3.42Å; H64-F207 VanDerWaalsContact CE1-CD1 3.42Å; H64-F207 WeakPolarHBondContact CE1-CD1 3.45Å; H64-F207 AromaticContact CE1-CE1 3.94Å; H64-F207 AromaticContact NE2-CD1 3.48Å; H64-F207 WeakPolarHBondContact NE2-CD1 3.2Å; H64-F207 AromaticContact NE2-CE1 3.49Å; H64-F207 WeakPolarHBondContact NE2-CE1 3.2Å
208T72.7Confident68.1Low77 Ų7771 Ų7147%0.47238%0.383SS..  trans-110108.8168.7540000105.6L177 C206 S210L177-T208 HydrophobicContact CD2-CG2 3.68Å; C206-T208 PolarHBondContact O-N 3.32Å; T208-S210 PolarHBondContact O-N 2.95Å
209S55.2Low65.4Low19 Ų1974.1 Ų74.113%0.13340%0.395CS..  trans-61.9131.2178.7560000109A211 N212 K213S209-A211 PolarHBondContact O-N 2.82Å; S209-N212 VanDerWaalsContact O-CA 3.3Å; S209-N212 WeakPolarHBondContact O-CA 3.44Å; S209-N212 VanDerWaalsContact O-CB 3.25Å; S209-N212 WeakPolarHBondContact O-CB 3.29Å; S209-N212 PolarHBondContact O-N 2.76Å; S209-N212 WeakPolarHBondContact OG-CA 3.47Å; S209-N212 WeakPolarHBondContact OG-CB 3.39Å; S209-N212 PolarHBondContact OG-N 2.71Å; S209-N212 PolarHBondContact OG-ND2 3.46Å; S209-N212 PolarHBondContact OG-OD1 3.17Å; S209-K213 PolarHBondContact O-N 3.46Å
210S44.4Very low63.2Low97 Ų9775.4 Ų75.468%0.67840%0.404SS*.Hα-helixtrans-59.9-29.1163.942.50000110.4T208 N212 K213T208-S210 PolarHBondContact O-N 2.95Å; S210-N212 VanDerWaalsContact C-N 3.26Å; S210-N212 PolarHBondContact O-N 2.75Å; S210-K213 VanDerWaalsContact O-CB 3.25Å; S210-K213 WeakPolarHBondContact O-CB 3.25Å; S210-K213 PolarHBondContact O-N 3.31Å
211A38.9Very low60.7Low52 Ų5275 Ų7543%0.4340%0.395SS..Hα-helixtrans-64.8-24.6166.600000113.3S209 K213 I214 N215S209-A211 PolarHBondContact O-N 2.82Å; A211-K213 VanDerWaalsContact C-N 3.31Å; A211-I214 CarbonylContact O-C 3.6Å; A211-I214 WeakPolarHBondContact O-CA 3.25Å; A211-I214 WeakPolarHBondContact O-CB 3.5Å; A211-I214 PolarHBondContact O-N 3.45Å; A211-I214 VanDerWaalsContact O-N 3.12Å; A211-N215 PolarHBondContact O-N 3.27Å
212N39.5Very low58.1Low49 Ų4979.6 Ų79.626%0.26242%0.415SS..Hα-helixtrans-73.4-16.1165.2-84-15.1000112.3S209 S210 I214 H216S209-N212 VanDerWaalsContact O-CA 3.3Å; S209-N212 WeakPolarHBondContact O-CA 3.44Å; S209-N212 VanDerWaalsContact O-CB 3.25Å; S209-N212 WeakPolarHBondContact O-CB 3.29Å; S209-N212 PolarHBondContact O-N 2.76Å; S209-N212 WeakPolarHBondContact OG-CA 3.47Å; S209-N212 WeakPolarHBondContact OG-CB 3.39Å; S209-N212 PolarHBondContact OG-N 2.71Å; S209-N212 PolarHBondContact OG-ND2 3.46Å; S209-N212 PolarHBondContact OG-OD1 3.17Å; S210-N212 VanDerWaalsContact C-N 3.26Å; S210-N212 PolarHBondContact O-N 2.75Å; N212-I214 PolarHBondContact O-N 2.77Å; N212-H216 VanDerWaalsContact C-CD2 3.48Å; N212-H216 VanDerWaalsContact O-CA 3.26Å; N212-H216 WeakPolarHBondContact O-CA 3.48Å; N212-H216 WeakPolarHBondContact O-CB 3.48Å; N212-H216 PolarHBondContact O-CD2 3.08Å; N212-H216 PolarHBondContact O-N 3.04Å
213K40.5Very low55.5Low164 Ų16476.6 Ų76.671%0.71340%0.401SS*.Hα-helixtrans-61-39.2161.8-68-178.9174.91800110.2S209 S210 A211 Q217S209-K213 PolarHBondContact O-N 3.46Å; S210-K213 VanDerWaalsContact O-CB 3.25Å; S210-K213 WeakPolarHBondContact O-CB 3.25Å; S210-K213 PolarHBondContact O-N 3.31Å; A211-K213 VanDerWaalsContact C-N 3.31Å; K213-Q217 VanDerWaalsContact O-CB 3.29Å; K213-Q217 WeakPolarHBondContact O-CB 3.4Å; K213-Q217 PolarHBondContact O-N 2.87Å
214I35.7Very low52.7Low102 Ų10280.3 Ų80.352%0.52341%0.414SS..Hα-helixtrans-77.3-44.6177.7-56.7173.2000111.7A211 N212 Q217 L218A211-I214 CarbonylContact O-C 3.6Å; A211-I214 WeakPolarHBondContact O-CA 3.25Å; A211-I214 WeakPolarHBondContact O-CB 3.5Å; A211-I214 PolarHBondContact O-N 3.45Å; A211-I214 VanDerWaalsContact O-N 3.12Å; N212-I214 PolarHBondContact O-N 2.77Å; I214-Q217 CarbonylContact O-C 3.53Å; I214-Q217 WeakPolarHBondContact O-CA 3.09Å; I214-Q217 WeakPolarHBondContact O-CB 3.32Å; I214-Q217 PolarHBondContact O-N 3.19Å; I214-Q217 VanDerWaalsContact O-N 3.14Å; I214-L218 HydrophobicContact CG2-CD1 4.01Å; I214-L218 HydrophobicContact CG2-CG 4.44Å; I214-L218 WeakPolarHBondContact O-CB 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.06Å; I214-L218 PolarHBondContact O-N 3.39Å
215N38.1Very low50.2Low88 Ų8885.3 Ų85.347%0.47143%0.434SS..Hα-helixtrans-72.4-27.5175.4-76.9-22.2000112.6A211 F219A211-N215 PolarHBondContact O-N 3.27Å; N215-F219 WeakPolarHBondContact O-CA 3.5Å; N215-F219 WeakPolarHBondContact O-CB 3.3Å; N215-F219 PolarHBondContact O-N 2.74Å
216H41.4Very low47.7Very low75 Ų7585.3 Ų85.335%0.34744%0.438SS..Hα-helixtrans-71.3-33.7166.1-70.3-54.2000109.8N212 S220 P259N212-H216 VanDerWaalsContact C-CD2 3.48Å; N212-H216 VanDerWaalsContact O-CA 3.26Å; N212-H216 WeakPolarHBondContact O-CA 3.48Å; N212-H216 WeakPolarHBondContact O-CB 3.48Å; N212-H216 PolarHBondContact O-CD2 3.08Å; N212-H216 PolarHBondContact O-N 3.04Å; H216-S220 VanDerWaalsContact O-CA 3.27Å; H216-S220 WeakPolarHBondContact O-CA 3.47Å; H216-S220 WeakPolarHBondContact O-CB 3.17Å; H216-S220 PolarHBondContact O-N 3.31Å; H216-P259 VanDerWaalsContact CE1-CB 3.49Å; H216-P259 WeakPolarHBondContact CE1-CB 3.22Å
217Q39.6Very low45.1Very low124 Ų12487.5 Ų87.558%0.57945%0.451SS*.Hα-helixtrans-71.4-37.4172.8-147.1166.911.900111.6K213 I214 N221K213-Q217 VanDerWaalsContact O-CB 3.29Å; K213-Q217 WeakPolarHBondContact O-CB 3.4Å; K213-Q217 PolarHBondContact O-N 2.87Å; I214-Q217 CarbonylContact O-C 3.53Å; I214-Q217 WeakPolarHBondContact O-CA 3.09Å; I214-Q217 WeakPolarHBondContact O-CB 3.32Å; I214-Q217 PolarHBondContact O-N 3.19Å; I214-Q217 VanDerWaalsContact O-N 3.14Å; Q217-N221 WeakPolarHBondContact O-CA 3.43Å; Q217-N221 WeakPolarHBondContact O-CB 3.4Å; Q217-N221 PolarHBondContact O-N 3.48Å; Q217-N221 PolarHBondContact O-ND2 3.45Å
218L37.5Very low43Very low99 Ų9986.8 Ų86.852%0.51845%0.446SS..Hα-helixtrans-76.8-41.5176.9-71.8169.4000112.4I214 N221 H222I214-L218 HydrophobicContact CG2-CD1 4.01Å; I214-L218 HydrophobicContact CG2-CG 4.44Å; I214-L218 WeakPolarHBondContact O-CB 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.06Å; I214-L218 PolarHBondContact O-N 3.39Å; L218-N221 PolarHBondContact O-N 3.48Å; L218-H222 WeakPolarHBondContact O-CA 3.22Å; L218-H222 WeakPolarHBondContact O-CB 3.39Å; L218-H222 PolarHBondContact O-N 3.42Å
219F38.8Very low41.3Very low97 Ų9785.4 Ų85.443%0.42545%0.447SS..Hα-helixtrans-66.3-48170.9-175-94.4000108.9N215 N221 H222 F223N215-F219 WeakPolarHBondContact O-CA 3.5Å; N215-F219 WeakPolarHBondContact O-CB 3.3Å; N215-F219 PolarHBondContact O-N 2.74Å; F219-N221 VanDerWaalsContact C-N 3.33Å; F219-N221 PolarHBondContact O-N 3.41Å; F219-H222 PolarHBondContact O-N 3.06Å; F219-F223 HydrophobicContact CD1-CB 4.21Å; F219-F223 HydrophobicContact CE1-CB 4.15Å; F219-F223 HydrophobicContact CE1-CD2 4.21Å; F219-F223 HydrophobicContact CE1-CG 4.15Å; F219-F223 HydrophobicContact CZ-CB 4.49Å; F219-F223 HydrophobicContact CZ-CD2 4.11Å; F219-F223 HydrophobicContact CZ-CG 4.46Å; F219-F223 WeakPolarHBondContact O-CA 3.48Å; F219-F223 WeakPolarHBondContact O-CB 3.36Å; F219-F223 PolarHBondContact O-N 3.41Å
220S45.7Very low40.4Very low55 Ų5590.9 Ų90.939%0.38547%0.47SS..Hα-helixtrans-57-46171.7-173.90000110.4H216 Y224H216-S220 VanDerWaalsContact O-CA 3.27Å; H216-S220 WeakPolarHBondContact O-CA 3.47Å; H216-S220 WeakPolarHBondContact O-CB 3.17Å; H216-S220 PolarHBondContact O-N 3.31Å; S220-Y224 VanDerWaalsContact O-CA 3.27Å; S220-Y224 WeakPolarHBondContact O-CA 3.32Å; S220-Y224 WeakPolarHBondContact O-CB 3.27Å; S220-Y224 PolarHBondContact O-N 3.27Å
221N41.4Very low40.4Very low86 Ų8691.8 Ų91.846%0.4648%0.477SS..Hα-helixtrans-69.5-39179.7-75-25.5000113.8Q217 L218 F219 K225Q217-N221 WeakPolarHBondContact O-CA 3.43Å; Q217-N221 WeakPolarHBondContact O-CB 3.4Å; Q217-N221 PolarHBondContact O-N 3.48Å; Q217-N221 PolarHBondContact O-ND2 3.45Å; L218-N221 PolarHBondContact O-N 3.48Å; F219-N221 VanDerWaalsContact C-N 3.33Å; F219-N221 PolarHBondContact O-N 3.41Å; N221-K225 WeakPolarHBondContact O-CB 3.47Å; N221-K225 WeakPolarHBondContact O-CG 3.46Å; N221-K225 PolarHBondContact O-N 3.28Å
222H40.6Very low40.2Very low130 Ų13093.3 Ų93.360%0.60248%0.481SS*.Hα-helixtrans-76.1-44.9179.2-173.568.7000110.6L218 F219 K225 T226L218-H222 WeakPolarHBondContact O-CA 3.22Å; L218-H222 WeakPolarHBondContact O-CB 3.39Å; L218-H222 PolarHBondContact O-N 3.42Å; F219-H222 PolarHBondContact O-N 3.06Å; H222-K225 CarbonylContact O-C 3.59Å; H222-K225 WeakPolarHBondContact O-CB 3.44Å; H222-K225 PolarHBondContact O-N 3.43Å; H222-T226 WeakPolarHBondContact O-CB 3.19Å; H222-T226 PolarHBondContact O-N 3.06Å; H222-T226 PolarHBondContact O-OG1 3.05Å
223F43.5Very low40.4Very low46 Ų4693 Ų9320%0.20248%0.482CS..Hα-helixtrans-62.1-44.2171-176-100.6000111.3M182 F219 K225 T226 V227M182-F223 HydrophobicContact SD-CE1 4.12Å; M182-F223 HydrophobicContact SD-CZ 3.55Å; M182-F223 VanDerWaalsContact SD-CZ 3.55Å; F219-F223 HydrophobicContact CD1-CB 4.21Å; F219-F223 HydrophobicContact CE1-CB 4.15Å; F219-F223 HydrophobicContact CE1-CD2 4.21Å; F219-F223 HydrophobicContact CE1-CG 4.15Å; F219-F223 HydrophobicContact CZ-CB 4.49Å; F219-F223 HydrophobicContact CZ-CD2 4.11Å; F219-F223 HydrophobicContact CZ-CG 4.46Å; F219-F223 WeakPolarHBondContact O-CA 3.48Å; F219-F223 WeakPolarHBondContact O-CB 3.36Å; F219-F223 PolarHBondContact O-N 3.41Å; F223-K225 VanDerWaalsContact C-N 3.32Å; F223-K225 PolarHBondContact O-N 3.23Å; F223-T226 CarbonylContact O-C 3.54Å; F223-T226 PolarHBondContact O-N 3.47Å; F223-T226 VanDerWaalsContact O-N 3.11Å; F223-V227 HydrophobicContact CD1-CG2 4.07Å; F223-V227 HydrophobicContact CD2-CG2 4.05Å; F223-V227 HydrophobicContact CE1-CG2 3.77Å; F223-V227 HydrophobicContact CE2-CG2 3.74Å; F223-V227 HydrophobicContact CG-CG2 4.19Å; F223-V227 HydrophobicContact CZ-CG2 3.58Å; F223-V227 VanDerWaalsContact O-CB 3.26Å; F223-V227 WeakPolarHBondContact O-CB 3.27Å; F223-V227 VanDerWaalsContact O-CG2 3.28Å; F223-V227 WeakPolarHBondContact O-CG2 3.48Å; F223-V227 PolarHBondContact O-N 2.87Å
224Y39.6Very low40.1Very low109 Ų10992.5 Ų92.543%0.42748%0.48SS..Hα-helixtrans-64.3-36.9173.3-170.8-81000110.6S220 Y228 G229S220-Y224 VanDerWaalsContact O-CA 3.27Å; S220-Y224 WeakPolarHBondContact O-CA 3.32Å; S220-Y224 WeakPolarHBondContact O-CB 3.27Å; S220-Y224 PolarHBondContact O-N 3.27Å; Y224-Y228 HydrophobicContact CD1-CD2 4.28Å; Y224-Y228 AromaticContact CD2-CD2 3.37Å; Y224-Y228 HydrophobicContact CD2-CD2 3.37Å; Y224-Y228 AromaticContact CD2-CE2 3.83Å; Y224-Y228 HydrophobicContact CD2-CE2 3.83Å; Y224-Y228 HydrophobicContact CD2-CG 4.22Å; Y224-Y228 HydrophobicContact CE1-CD2 4.49Å; Y224-Y228 HydrophobicContact CE1-CG 4.49Å; Y224-Y228 AromaticContact CE2-CD2 3.63Å; Y224-Y228 HydrophobicContact CE2-CD2 3.63Å; Y224-Y228 HydrophobicContact CE2-CE2 4.03Å; Y224-Y228 HydrophobicContact CE2-CG 4.14Å; Y224-Y228 AromaticContact CG-CD2 3.71Å; Y224-Y228 HydrophobicContact CG-CD2 3.71Å; Y224-Y228 HydrophobicContact CG-CG 4.42Å; Y224-Y228 CarbonylContact O-C 3.51Å; Y224-Y228 WeakPolarHBondContact O-CA 3.47Å; Y224-Y228 WeakPolarHBondContact O-CB 3.35Å; Y224-Y228 PolarHBondContact O-N 3.43Å; Y224-G229 PolarHBondContact O-N 3.38Å; Y224-G229 VanDerWaalsContact O-N 3.08Å
225K43.6Very low40.1Very low148 Ų14890.7 Ų90.764%0.64348%0.476SS*.Hα-helixtrans-67-36.3169.4-83.6175.8176.8-1780112.9N221 H222 F223 G229N221-K225 WeakPolarHBondContact O-CB 3.47Å; N221-K225 WeakPolarHBondContact O-CG 3.46Å; N221-K225 PolarHBondContact O-N 3.28Å; H222-K225 CarbonylContact O-C 3.59Å; H222-K225 WeakPolarHBondContact O-CB 3.44Å; H222-K225 PolarHBondContact O-N 3.43Å; F223-K225 VanDerWaalsContact C-N 3.32Å; F223-K225 PolarHBondContact O-N 3.23Å; K225-G229 WeakPolarHBondContact O-CA 3.45Å; K225-G229 PolarHBondContact O-N 3.3Å
226T45.5Very low40.3Very low86 Ų8694.8 Ų94.853%0.52850%0.497SS..Hα-helixtrans-77.7-35.7-178.5-59.30000111.8H222 F223H222-T226 WeakPolarHBondContact O-CB 3.19Å; H222-T226 PolarHBondContact O-N 3.06Å; H222-T226 PolarHBondContact O-OG1 3.05Å; F223-T226 CarbonylContact O-C 3.54Å; F223-T226 PolarHBondContact O-N 3.47Å; F223-T226 VanDerWaalsContact O-N 3.11Å
227V40.5Very low39.9Very low47 Ų4796.1 Ų96.129%0.28551%0.506SS..Hα-helixtrans-88.2-42.3179.6177.50000111.9F223F223-V227 HydrophobicContact CD1-CG2 4.07Å; F223-V227 HydrophobicContact CD2-CG2 4.05Å; F223-V227 HydrophobicContact CE1-CG2 3.77Å; F223-V227 HydrophobicContact CE2-CG2 3.74Å; F223-V227 HydrophobicContact CG-CG2 4.19Å; F223-V227 HydrophobicContact CZ-CG2 3.58Å; F223-V227 VanDerWaalsContact O-CB 3.26Å; F223-V227 WeakPolarHBondContact O-CB 3.27Å; F223-V227 VanDerWaalsContact O-CG2 3.28Å; F223-V227 WeakPolarHBondContact O-CG2 3.48Å; F223-V227 PolarHBondContact O-N 2.87Å
228Y40.4Very low40.2Very low73 Ų7396 Ų9629%0.28652%0.516SS..Hα-helixtrans-114.6-10.3-175.8-57.8-78.6000115Y224 H230 Y241Y224-Y228 HydrophobicContact CD1-CD2 4.28Å; Y224-Y228 AromaticContact CD2-CD2 3.37Å; Y224-Y228 HydrophobicContact CD2-CD2 3.37Å; Y224-Y228 AromaticContact CD2-CE2 3.83Å; Y224-Y228 HydrophobicContact CD2-CE2 3.83Å; Y224-Y228 HydrophobicContact CD2-CG 4.22Å; Y224-Y228 HydrophobicContact CE1-CD2 4.49Å; Y224-Y228 HydrophobicContact CE1-CG 4.49Å; Y224-Y228 AromaticContact CE2-CD2 3.63Å; Y224-Y228 HydrophobicContact CE2-CD2 3.63Å; Y224-Y228 HydrophobicContact CE2-CE2 4.03Å; Y224-Y228 HydrophobicContact CE2-CG 4.14Å; Y224-Y228 AromaticContact CG-CD2 3.71Å; Y224-Y228 HydrophobicContact CG-CD2 3.71Å; Y224-Y228 HydrophobicContact CG-CG 4.42Å; Y224-Y228 CarbonylContact O-C 3.51Å; Y224-Y228 WeakPolarHBondContact O-CA 3.47Å; Y224-Y228 WeakPolarHBondContact O-CB 3.35Å; Y224-Y228 PolarHBondContact O-N 3.43Å; Y228-H230 PolarHBondContact O-N 3Å; Y228-Y241 HydrophobicContact CE1-CE1 4.21Å
229G36.1Very low40.2Very low48 Ų48101.4 Ų101.450%0.49553%0.53SS..  trans-78.84.8-178.600000115Y224 K225 S231Y224-G229 PolarHBondContact O-N 3.38Å; Y224-G229 VanDerWaalsContact O-N 3.08Å; K225-G229 WeakPolarHBondContact O-CA 3.45Å; K225-G229 PolarHBondContact O-N 3.3Å; G229-S231 PolarHBondContact O-N 3.14Å
230H37.2Very low39.8Very low133 Ų133101.9 Ų101.962%0.61654%0.536SS*.SBendtrans-68.4122.4156-72.877.1000107.6Y228 V232 C233Y228-H230 PolarHBondContact O-N 3Å; H230-V232 PolarHBondContact O-N 3.38Å; H230-C233 PolarHBondContact O-N 3.11Å
231S43.5Very low39.4Very low117 Ų117107.7 Ų107.782%0.81855%0.551SS**THydrogen-bonded Turntrans-55.9-3.3-174.847.80000115.6G229G229-S231 PolarHBondContact O-N 3.14Å
232V35.6Very low39.1Very low84 Ų84112 Ų11251%0.50957%0.569SS.*THydrogen-bonded Turntrans-99.4-12.7-178.6-169.30000112.9H230 I245H230-V232 PolarHBondContact O-N 3.38Å; V232-I245 HydrophobicContact CG1-CD1 4.25Å
233C43.7Very low38.8Very low43 Ų43107.7 Ų107.729%0.29155%0.553SS.*SBendtrans-94.4-6.1-179.8-61.20000114H230 S235 C246H230-C233 PolarHBondContact O-N 3.11Å; C233-S235 PolarHBondContact O-N 3.07Å; C233-C246 VanDerWaalsContact SG-SG 3.66Å
234K35Very low38.7Very low153 Ų153109.9 Ų109.967%0.66557%0.572SS**  trans-86.798.6171.3-84.5-174.5173.4-1770109.8
235S35.1Very low38.6Very low64 Ų64110.5 Ų110.545%0.44858%0.581SS.*  trans-86.5131.6156.51710000108.6C233 L237C233-S235 PolarHBondContact O-N 3.07Å; S235-L237 PolarHBondContact O-N 3.43Å; S235-L237 PolarHBondContact OG-N 3.37Å; S235-L237 VanDerWaalsContact OG-N 3.14Å; S235-L237 PolarHBondContact OG-O 3.47Å
236L41.3Very low38.5Very low173 Ų173104.9 Ų104.991%0.90656%0.56SS**SBendtrans-81.517.3171.3-81.5164.1000112.7
237L33.7Very low38.3Very low103 Ų103107.1 Ų107.154%0.53957%0.568SS.*SBendtrans-124.4119.4179.2-66.9172.2000111S235 W239S235-L237 PolarHBondContact O-N 3.43Å; S235-L237 PolarHBondContact OG-N 3.37Å; S235-L237 VanDerWaalsContact OG-N 3.14Å; S235-L237 PolarHBondContact OG-O 3.47Å; L237-W239 VanDerWaalsContact C-N 3.31Å; L237-W239 PolarHBondContact O-N 2.98Å
238P46.4Very low38.3Very low121 Ų121111.7 Ų111.779%0.78659%0.591SS**THydrogen-bonded Turntrans-64.8-9.4-163.6-25.434000119
239W35.9Very low38.2Very low213 Ų213113.2 Ų113.281%0.80760%0.601SS**THydrogen-bonded Turntrans-11712.6-174.849.474.4000114.8L237L237-W239 VanDerWaalsContact C-N 3.31Å; L237-W239 PolarHBondContact O-N 2.98Å
240L31Very low38.4Very low108 Ų108115 Ų11557%0.56560%0.604SS**  trans-118.686.9-180-82.5161.3000111.8
241Y37.5Very low39.1Very low177 Ų177112.2 Ų112.269%0.69460%0.599SS**  trans-91.9104.5148.5-93.2-89.4000107.4Y228Y228-Y241 HydrophobicContact CE1-CE1 4.21Å
242Q34.5Very low39.4Very low177 Ų177112 Ų11283%0.82759%0.593SS**  trans175.289148.3-96.3162.146.200109
243S35Very low40.5Very low38 Ų38113 Ų11327%0.26659%0.594SS.*  trans-92.2125.4156173.50000107.9I245 C246S243-I245 PolarHBondContact O-N 3.04Å; S243-I245 PolarHBondContact OG-N 3.26Å; S243-C246 VanDerWaalsContact O-CB 3.27Å; S243-C246 WeakPolarHBondContact O-CB 3.41Å; S243-C246 PolarHBondContact O-N 2.85Å
244P41.8Very low41.6Very low93 Ų93114.7 Ų114.760%0.60460%0.6SS**G310 helixtrans-57.3-20.9177.2-24.733.2000114.1C246 L247P244-C246 PolarHBondContact O-N 2.91Å; P244-L247 WeakPolarHBondContact O-CB 3.49Å; P244-L247 PolarHBondContact O-N 2.86Å
245I37.2Very low43.6Very low121 Ų121108.6 Ų108.662%0.62158%0.577SS**G310 helixtrans-65.5-23.3174.9-60.7170.5000111.2V232 S243 L247V232-I245 HydrophobicContact CG1-CD1 4.25Å; S243-I245 PolarHBondContact O-N 3.04Å; S243-I245 PolarHBondContact OG-N 3.26Å; I245-L247 VanDerWaalsContact C-N 3.31Å
246C41.3Very low45.8Very low31 Ų31109.1 Ų109.121%0.20958%0.575CS.*G310 helixtrans-75.3-17.1173.5-59.80000113.4H185 C233 S243 P244H185-C246 PolarHBondContact CD2-O 3.1Å; C233-C246 VanDerWaalsContact SG-SG 3.66Å; S243-C246 VanDerWaalsContact O-CB 3.27Å; S243-C246 WeakPolarHBondContact O-CB 3.41Å; S243-C246 PolarHBondContact O-N 2.85Å; P244-C246 PolarHBondContact O-N 2.91Å
247L41.9Very low47.8Very low133 Ų133103.1 Ų103.170%0.69654%0.543SS*.THydrogen-bonded Turntrans-88.9-19.6-177-65.8170.4000113P244 I245P244-L247 WeakPolarHBondContact O-CB 3.49Å; P244-L247 PolarHBondContact O-N 2.86Å; I245-L247 VanDerWaalsContact C-N 3.31Å
248N39.2Very low50.3Low143 Ų14399.6 Ų99.677%0.76553%0.526SS*.SBendtrans-10115.9-169.9-78.2-5.7000115.2
249Q38.7Very low52.2Low105 Ų10596.2 Ų96.249%0.49150%0.504SS..SBendtrans-93.4133.6169.9-68.6-93.7-52.100109.2K184 S251K184-Q249 HydrophobicContact CD-CB 4.19Å; Q249-S251 PolarHBondContact O-N 2.94Å
250P41.7Very low54.7Low86 Ų8686.6 Ų86.656%0.55847%0.469SS*.  trans-52.7132.2174.1-13.920.1000109.7T252P250-T252 HydrophobicContact CB-CG2 4.07Å; P250-T252 PolarHBondContact O-N 3.21Å
251S51.3Low57.4Low74 Ų7483.3 Ų83.352%0.51745%0.454SS..THydrogen-bonded Turntrans-70.121-174520000114.5Q249 I253Q249-S251 PolarHBondContact O-N 2.94Å; S251-I253 PolarHBondContact O-N 3.04Å
252T50.1Low59.8Low113 Ų11381.3 Ų81.369%0.69345%0.451SS*.THydrogen-bonded Turntrans-76.6-22.3-164.253.40000114.9P250 L254P250-T252 HydrophobicContact CB-CG2 4.07Å; P250-T252 PolarHBondContact O-N 3.21Å; T252-L254 PolarHBondContact O-N 3.21Å; T252-L254 VanDerWaalsContact O-N 3.11Å
253I57.5Low62.5Low103 Ų10377.3 Ų77.353%0.52843%0.433SS..  trans-76.8106.8177.2-57.2178.2000108.6K184 S251K184-I253 HydrophobicContact CB-CB 4.33Å; K184-I253 HydrophobicContact CD-CB 4.49Å; K184-I253 HydrophobicContact CD-CD1 4.39Å; K184-I253 HydrophobicContact CD-CG1 4.49Å; K184-I253 PolarHBondContact N-O 3.06Å; S251-I253 PolarHBondContact O-N 3.04Å
254L67Low65.1Low80 Ų8075.5 Ų75.542%0.41942%0.42SS..EExtended strand (participates in β ladder)trans-102.1123.7175.8171.160.5000109I40 M182 T252 N256I40-L254 HydrophobicContact CD1-CD1 3.54Å; I40-L254 HydrophobicContact CG1-CD1 4.18Å; I40-L254 HydrophobicContact CG2-CD1 3.65Å; I40-L254 HydrophobicContact CG2-CD2 3.62Å; I40-L254 HydrophobicContact CG2-CG 4.28Å; M182-L254 WeakPolarHBondContact O-CD1 3.35Å; T252-L254 PolarHBondContact O-N 3.21Å; T252-L254 VanDerWaalsContact O-N 3.11Å; L254-N256 HydrophobicContact CD1-CB 4.3Å; L254-N256 HydrophobicContact CD2-CB 4.35Å; L254-N256 HydrophobicContact CG-CB 4.14Å
255S77Confident67.6Low24 Ų2471.9 Ų71.917%0.16840%0.395CS..EExtended strand (participates in β ladder)trans-103.3114.1160.2-62.10000107.3S181 M182S181-S255 CarbonylContact C-O 3.38Å; S181-S255 VanDerWaalsContact CA-O 3.25Å; S181-S255 WeakPolarHBondContact CA-O 3.16Å; M182-S255 PolarHBondContact N-O 3.45Å; M182-S255 PolarHBondContact O-N 2.04Å
256N81.2Confident70.3Confident76 Ų7666.2 Ų66.241%0.40637%0.366SS..EExtended strand (participates in β ladder)trans-112.6130-177.2-168.233.1000109.9S181 L254 V258S181-N256 WeakPolarHBondContact OG-CA 3.4Å; S181-N256 PolarHBondContact OG-OD1 2.94Å; L254-N256 HydrophobicContact CD1-CB 4.3Å; L254-N256 HydrophobicContact CD2-CB 4.35Å; L254-N256 HydrophobicContact CG-CB 4.14Å; N256-V258 VanDerWaalsContact C-N 3.32Å; N256-V258 PolarHBondContact O-N 2.85Å
257N83.4Confident72.9Confident46 Ų4665 Ų6525%0.24636%0.358CS..EExtended strand (participates in β ladder)trans49.948.6179.3-77.5-8.2000113.6Y179 C180 S181 S191 E192Y179-N257 WeakPolarHBondContact CD1-O 3.49Å; C180-N257 PolarHBondContact O-N 3.08Å; S181-N257 PolarHBondContact OG-N 2.97Å; S191-N257 WeakPolarHBondContact CB-OD1 3.44Å; S191-N257 PolarHBondContact OG-OD1 3.14Å; E192-N257 PolarHBondContact OE2-ND2 3Å
258V86.5Confident75.4Confident29 Ų2963.7 Ų63.718%0.17635%0.346CS..EExtended strand (participates in β ladder)trans-96162.3172.5-630000110.3Y179 C180 N256 C260Y179-V258 CarbonylContact C-O 3.52Å; Y179-V258 VanDerWaalsContact CA-O 3.26Å; Y179-V258 WeakPolarHBondContact CA-O 3.48Å; C180-V258 PolarHBondContact N-O 2.74Å; C180-V258 WeakPolarHBondContact O-CG2 3.27Å; C180-V258 PolarHBondContact O-N 2.76Å; N256-V258 VanDerWaalsContact C-N 3.32Å; N256-V258 PolarHBondContact O-N 2.85Å; V258-C260 PolarHBondContact O-N 3.36Å
259P87.1Confident78Confident51 Ų5159.3 Ų59.333%0.33132%0.321SS..EExtended strand (participates in β ladder)trans-52.2137.7169.9-26.435.4000111.6H216H216-P259 VanDerWaalsContact CE1-CB 3.49Å; H216-P259 WeakPolarHBondContact CE1-CB 3.22Å
260C88Confident80Confident10 Ų1064 Ų647%0.06835%0.349CS..PPolyproline II helixtrans-61.4144.1-177.3-71.90000112.6R161 I178 C180 V258 L264R161-C260 WeakPolarHBondContact CD-O 3.33Å; R161-C260 HydrophobicContact CG-CB 4.23Å; I178-C260 HydrophobicContact CD1-CB 4.18Å; I178-C260 HydrophobicContact CG1-CB 4.18Å; C180-C260 HydrophobicContact CB-CB 3.95Å; C180-C260 WeakPolarHBondContact CB-SG 3.48Å; C180-C260 PolarHBondContact N-SG 3.06Å; C180-C260 WeakPolarHBondContact SG-CB 3.32Å; C180-C260 CovalentContact SG-SG 2.05Å; C180-C260 PolarHBondContact SG-SG 2.91Å; V258-C260 PolarHBondContact O-N 3.36Å; C260-L264 HydrophobicContact CB-CD1 4.5Å
261P88.4Confident82Confident39 Ų3962.9 Ų62.925%0.25334%0.339SS..  trans-67.7174.2167.831.9-37.6000111.3R161 M182 E263R161-P261 VanDerWaalsContact CB-O 3.26Å; R161-P261 WeakPolarHBondContact CB-O 3.17Å; R161-P261 WeakPolarHBondContact CD-O 3.02Å; M182-P261 HydrophobicContact CE-CB 4.46Å; M182-P261 HydrophobicContact CE-CG 3.76Å; P261-E263 VanDerWaalsContact CG-O 3.25Å; P261-E263 WeakPolarHBondContact CG-O 3.43Å; P261-E263 PolarHBondContact O-N 3.49Å
262E87.9Confident83.6Confident136 Ų13662.3 Ų62.364%0.63633%0.329SS*.SBendtrans-57.3-34.9179.4-173.5176.3178.700113.7R161R161-E262 WeakPolarHBondContact CB-O 3.3Å; R161-E262 PolarHBondContact N-O 2.72Å
263E89.8Confident85.4Confident93 Ų9359.4 Ų59.444%0.43531%0.309SS..EExtended strand (participates in β ladder)trans-125.9136.2173.9-68.9-167.3-176.300111.2T158 L159 P261T158-E263 PolarHBondContact OG1-OE2 3.05Å; L159-E263 WeakPolarHBondContact O-CA 3.44Å; P261-E263 VanDerWaalsContact CG-O 3.25Å; P261-E263 WeakPolarHBondContact CG-O 3.43Å; P261-E263 PolarHBondContact O-N 3.49Å
264L90.5Very high87.1Confident0 Ų056.9 Ų56.90%030%0.296CS..EExtended strand (participates in β ladder)trans-138.5157.1-176.866.5153.9000111.5T158 L159 R161 L164 C180 G188 L190 C260T158-L264 CarbonylContact C-O 3.46Å; T158-L264 WeakPolarHBondContact CA-O 3.4Å; L159-L264 HydrophobicContact CB-CD2 4.33Å; L159-L264 HydrophobicContact CB-CG 4.42Å; L159-L264 PolarHBondContact N-O 2.84Å; L159-L264 WeakPolarHBondContact O-CD2 3.48Å; L159-L264 PolarHBondContact O-N 3.08Å; R161-L264 HydrophobicContact CB-CD2 4.07Å; L164-L264 HydrophobicContact CD2-CD1 3.9Å; L164-L264 HydrophobicContact CD2-CD2 4.45Å; C180-L264 VanDerWaalsContact SG-CD1 3.51Å; G188-L264 CarbonylContact O-C 3.29Å; G188-L264 VanDerWaalsContact O-CA 3.27Å; G188-L264 WeakPolarHBondContact O-CA 3.2Å; L190-L264 HydrophobicContact CB-CD1 3.89Å; L190-L264 HydrophobicContact CD1-CD1 4Å; L190-L264 HydrophobicContact CG-CD1 4.49Å; C260-L264 HydrophobicContact CB-CD1 4.5Å
265I93.7Very high88.3Confident16 Ų1655.4 Ų55.48%0.08229%0.288CS..EExtended strand (participates in β ladder)trans-95.5137.9170.3-65.3-173.1000108.5N154 T158 P187 G188 R189 L190 P267N154-I265 WeakPolarHBondContact O-CG2 3.32Å; T158-I265 HydrophobicContact CG2-CG1 4.15Å; P187-I265 HydrophobicContact CB-CD1 3.99Å; P187-I265 HydrophobicContact CB-CG1 4.08Å; P187-I265 HydrophobicContact CG-CD1 3.3Å; P187-I265 HydrophobicContact CG-CG1 3.96Å; G188-I265 PolarHBondContact O-N 3.28Å; R189-I265 CarbonylContact C-O 3.52Å; R189-I265 VanDerWaalsContact CA-O 3.27Å; R189-I265 WeakPolarHBondContact CA-O 3.33Å; R189-I265 HydrophobicContact CG-CB 4.19Å; L190-I265 PolarHBondContact N-O 2.9Å; I265-P267 HydrophobicContact CG2-CB 4.22Å; I265-P267 VanDerWaalsContact O-CD 3.27Å; I265-P267 WeakPolarHBondContact O-CD 3.26Å
266F94.6Very high89.1Confident3 Ų357.5 Ų57.51%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-102.590.9165.4178.9-156.4000107.8W33 F52 L143 L146 I151 P153 N154 L159 L190W33-F266 HydrophobicContact CD2-CD2 4.33Å; W33-F266 AromaticContact CD2-CE2 3.6Å; W33-F266 HydrophobicContact CD2-CE2 3.6Å; W33-F266 AromaticContact CE2-CD2 3.85Å; W33-F266 AromaticContact CE2-CE2 3.31Å; W33-F266 AromaticContact CE3-CE2 3.93Å; W33-F266 HydrophobicContact CE3-CE2 3.93Å; W33-F266 HydrophobicContact CE3-CZ 4.5Å; W33-F266 HydrophobicContact CG-CE2 4.19Å; W33-F266 AromaticContact CH2-CE2 3.7Å; W33-F266 HydrophobicContact CH2-CE2 3.7Å; W33-F266 AromaticContact CH2-CZ 3.81Å; W33-F266 HydrophobicContact CH2-CZ 3.81Å; W33-F266 HydrophobicContact CZ2-CD2 4.13Å; W33-F266 AromaticContact CZ2-CE2 3.4Å; W33-F266 HydrophobicContact CZ2-CE2 3.4Å; W33-F266 AromaticContact CZ2-CZ 3.9Å; W33-F266 HydrophobicContact CZ2-CZ 3.9Å; W33-F266 AromaticContact CZ3-CE2 3.96Å; W33-F266 HydrophobicContact CZ3-CE2 3.96Å; W33-F266 HydrophobicContact CZ3-CZ 4.14Å; W33-F266 AromaticContact NE1-CD2 3.8Å; W33-F266 AromaticContact NE1-CE2 3.75Å; F52-F266 HydrophobicContact CE2-CE2 4.12Å; F52-F266 AromaticContact CE2-CZ 3.86Å; F52-F266 HydrophobicContact CE2-CZ 3.86Å; F52-F266 AromaticContact CZ-CE2 3.77Å; F52-F266 HydrophobicContact CZ-CE2 3.77Å; F52-F266 AromaticContact CZ-CZ 3.91Å; F52-F266 HydrophobicContact CZ-CZ 3.91Å; L143-F266 HydrophobicContact CD1-CE1 4.21Å; L143-F266 HydrophobicContact CD1-CZ 3.85Å; L146-F266 HydrophobicContact CD1-CE1 4.15Å; L146-F266 HydrophobicContact CD1-CZ 4.2Å; I151-F266 HydrophobicContact CG2-CD1 4.08Å; I151-F266 HydrophobicContact CG2-CE1 4.37Å; P153-F266 CarbonylContact C-O 3.57Å; P153-F266 WeakPolarHBondContact CA-O 3.22Å; P153-F266 HydrophobicContact CB-CD1 4.38Å; P153-F266 HydrophobicContact CB-CE1 4.36Å; P153-F266 HydrophobicContact CB-CZ 4.5Å; P153-F266 HydrophobicContact CG-CD1 4.15Å; P153-F266 HydrophobicContact CG-CE1 3.65Å; P153-F266 HydrophobicContact CG-CE2 4.14Å; P153-F266 HydrophobicContact CG-CZ 3.66Å; N154-F266 CarbonylContact C-O 3.56Å; N154-F266 PolarHBondContact N-O 3.41Å; L159-F266 HydrophobicContact CD1-CB 3.75Å; L190-F266 HydrophobicContact CB-CD2 4.28Å; L190-F266 HydrophobicContact CD2-CD2 3.66Å; L190-F266 HydrophobicContact CD2-CE2 3.91Å; L190-F266 HydrophobicContact CD2-CG 4.17Å
267P95.3Very high89.6Confident6 Ų656.2 Ų56.24%0.03929%0.288CS..PPolyproline II helixtrans-72.8146.5-164.625.4-32000112.9W33 P35 T36 N155 R189 I265W33-P267 WeakPolarHBondContact CZ2-O 3.49Å; W33-P267 PolarHBondContact NE1-O 2.72Å; P35-P267 HydrophobicContact CB-CB 4.26Å; P35-P267 HydrophobicContact CB-CG 4.07Å; T36-P267 WeakPolarHBondContact OG1-CG 3.06Å; N155-P267 WeakPolarHBondContact OD1-CA 3.46Å; N155-P267 WeakPolarHBondContact OD1-CB 3.46Å; R189-P267 HydrophobicContact CB-CG 4.26Å; R189-P267 HydrophobicContact CG-CG 4.43Å; I265-P267 HydrophobicContact CG2-CB 4.22Å; I265-P267 VanDerWaalsContact O-CD 3.27Å; I265-P267 WeakPolarHBondContact O-CD 3.26Å
268K94Very high90.1Very high104 Ų10457 Ų5745%0.45229%0.292SS..PPolyproline II helixtrans-68.7155.6173.2-65.8-173.1174.3-171.90111.4P35 P153 N155P35-K268 WeakPolarHBondContact CB-O 3.43Å; P153-K268 HydrophobicContact CB-CB 4.39Å; P153-K268 HydrophobicContact CB-CG 3.96Å; P153-K268 WeakPolarHBondContact O-CE 3.36Å; P153-K268 WeakPolarHBondContact O-CG 3.19Å; N155-K268 PolarHBondContact OD1-N 3.05Å
269F94.3Very high90.4Very high52 Ų5259.3 Ų59.323%0.22830%0.301CS..PPolyproline II helixtrans-58.9143.4156.4-70.5-91.5000109.7W33 P34 P35 I45 I49 N50 D51W33-F269 HydrophobicContact CH2-CD2 4.03Å; W33-F269 AromaticContact CH2-CE2 3.26Å; W33-F269 HydrophobicContact CH2-CE2 3.26Å; W33-F269 HydrophobicContact CH2-CZ 4.03Å; W33-F269 HydrophobicContact CZ2-CD2 4.01Å; W33-F269 AromaticContact CZ2-CE2 3.58Å; W33-F269 HydrophobicContact CZ2-CE2 3.58Å; W33-F269 HydrophobicContact CZ2-CZ 4.33Å; W33-F269 AromaticContact CZ3-CE2 3.78Å; W33-F269 HydrophobicContact CZ3-CE2 3.78Å; W33-F269 HydrophobicContact CZ3-CZ 4.13Å; P34-F269 HydrophobicContact CB-CE1 3.97Å; P34-F269 HydrophobicContact CB-CZ 4.49Å; P34-F269 HydrophobicContact CG-CE1 4.11Å; P34-F269 HydrophobicContact CG-CZ 4.24Å; P35-F269 HydrophobicContact CG-CB 4.4Å; P35-F269 HydrophobicContact CG-CD1 3.77Å; P35-F269 HydrophobicContact CG-CD2 4.05Å; P35-F269 HydrophobicContact CG-CE1 3.92Å; P35-F269 HydrophobicContact CG-CE2 4.2Å; P35-F269 HydrophobicContact CG-CG 3.81Å; P35-F269 HydrophobicContact CG-CZ 4.11Å; I45-F269 HydrophobicContact CD1-CD1 4.13Å; I45-F269 HydrophobicContact CD1-CE1 4.41Å; I45-F269 HydrophobicContact CG2-CD1 4.1Å; I45-F269 HydrophobicContact CG2-CE1 4.06Å; I49-F269 HydrophobicContact CG2-CE1 4.2Å; I49-F269 WeakPolarHBondContact O-CD1 3.17Å; I49-F269 VanDerWaalsContact O-CE1 3.3Å; I49-F269 WeakPolarHBondContact O-CE1 3.49Å; N50-F269 VanDerWaalsContact O-CE2 3.32Å; N50-F269 WeakPolarHBondContact O-CE2 3.24Å; D51-F269 VanDerWaalsContact N-CZ 3.28Å; D51-F269 WeakPolarHBondContact O-CZ 3.42Å
270N81.6Confident90.7Very high202 Ų20260.1 Ų60.1100%1.0830%0.299SS*.  trans-79.40175.7-71.1-28.1000111.3

Retrieved 270 of 270 residues in 57.8 ms (Link to these results)

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