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Ubiquitin-conjugating enzyme E2 G2

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-48'-linked polyubiquitination. Involved in endoplasmic reticulum-associated degradation (ERAD). Required for sterol-induced ubiquitination of 3-hydroxy-3-methylglutaryl coenzyme A reductase and its subsequent proteasomal degradation.

AlphaFold DB , UniProt , Accession G4LWV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 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
1M59.6Low89.4Confident183 Ų18374.5 Ų74.590%0.90141%0.413SS*.  0-39.30-68.3-151.1-80.500113.1G3 N4M1-G3 PolarHBondContact O-N 3.49Å; M1-N4 PolarHBondContact O-N 2.91Å
2A67.8Low90Very high52 Ų5268.8 Ų68.843%0.4338%0.381SS..Hα-helixtrans-49.7-30.2179.800000116.5N4 A5 L6A2-N4 VanDerWaalsContact C-N 3.31Å; A2-N4 PolarHBondContact O-N 2.88Å; A2-A5 PolarHBondContact O-N 3.26Å; A2-L6 PolarHBondContact O-N 2.95Å
3G86.4Confident90.6Very high47 Ų4768.9 Ų68.949%0.48537%0.373SS..Hα-helixtrans-63.9-29.8177.900000114.7M1 K7M1-G3 PolarHBondContact O-N 3.49Å; G3-K7 WeakPolarHBondContact O-CG 3.42Å; G3-K7 PolarHBondContact O-N 3.47Å
4N92.3Very high91Very high119 Ų11974.8 Ų74.864%0.63639%0.393SS*.Hα-helixtrans-78-39.5175.7-73.3-11000111.2M1 A2 K7 R8M1-N4 PolarHBondContact O-N 2.91Å; A2-N4 VanDerWaalsContact C-N 3.31Å; A2-N4 PolarHBondContact O-N 2.88Å; N4-K7 PolarHBondContact O-N 2.93Å; N4-R8 WeakPolarHBondContact O-CB 3.45Å; N4-R8 PolarHBondContact O-N 3.36Å
5A96.1Very high91.4Very high1 Ų178.5 Ų78.51%0.00841%0.408CS..Hα-helixtrans-59-47.7175.500000111.5A2 K7 R8 L9 F35 Y64A2-A5 PolarHBondContact O-N 3.26Å; A5-K7 PolarHBondContact O-N 3.38Å; A5-R8 WeakPolarHBondContact O-CB 3.4Å; A5-R8 PolarHBondContact O-N 3.28Å; A5-L9 WeakPolarHBondContact O-CG 3.19Å; A5-L9 PolarHBondContact O-N 2.75Å; A5-F35 HydrophobicContact CB-CE1 3.71Å; A5-F35 HydrophobicContact CB-CZ 3.9Å; A5-Y64 WeakPolarHBondContact CA-O 3.29Å; A5-Y64 WeakPolarHBondContact CB-O 3.45Å
6L96.2Very high91.7Very high63 Ų6374.6 Ų74.633%0.3339%0.387SS..Hα-helixtrans-59.8-46177.9-177.160.8000112.5A2 R8 L9 M10 F34A2-L6 PolarHBondContact O-N 2.95Å; L6-R8 VanDerWaalsContact C-N 3.3Å; L6-R8 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.38Å; L6-M10 HydrophobicContact CD1-CE 3.89Å; L6-M10 HydrophobicContact CD1-CG 4.31Å; L6-M10 HydrophobicContact CD1-SD 4.32Å; L6-M10 HydrophobicContact CD2-CE 4.27Å; L6-M10 HydrophobicContact CG-CE 4.04Å; L6-M10 HydrophobicContact CG-SD 4.09Å; L6-M10 WeakPolarHBondContact O-CB 3.49Å; L6-M10 WeakPolarHBondContact O-CG 3.06Å; L6-M10 PolarHBondContact O-N 3.41Å; L6-F34 HydrophobicContact CD1-CB 3.53Å; L6-F34 HydrophobicContact CD1-CD2 4.14Å; L6-F34 HydrophobicContact CD1-CG 3.9Å
7K96.1Very high91.8Very high150 Ų15075.3 Ų75.365%0.65240%0.396SS*.Hα-helixtrans-59.6-41.8177-74.8177-177.4-178.70111.8G3 N4 A5 A11G3-K7 WeakPolarHBondContact O-CG 3.42Å; G3-K7 PolarHBondContact O-N 3.47Å; N4-K7 PolarHBondContact O-N 2.93Å; A5-K7 PolarHBondContact O-N 3.38Å; K7-A11 WeakPolarHBondContact O-CB 3.03Å; K7-A11 PolarHBondContact O-N 3.01Å; K7-A11 VanDerWaalsContact O-N 3.11Å
8R97.4Very high92.1Very high67 Ų6777.4 Ų77.425%0.25341%0.412SS..Hα-helixtrans-63.4-48.7177.1177.867.6-171.8-97.5-19.3111N4 A5 L6 M10 A11 E12 Y64 P65 P112 Q114N4-R8 WeakPolarHBondContact O-CB 3.45Å; N4-R8 PolarHBondContact O-N 3.36Å; A5-R8 WeakPolarHBondContact O-CB 3.4Å; A5-R8 PolarHBondContact O-N 3.28Å; L6-R8 VanDerWaalsContact C-N 3.3Å; L6-R8 PolarHBondContact O-N 3.39Å; R8-M10 PolarHBondContact O-N 2.93Å; R8-A11 PolarHBondContact O-N 3.25Å; R8-E12 IonicContact CZ-OE1 3.62Å; R8-E12 IonicContact NE-OE1 2.96Å; R8-E12 PolarHBondContact NE-OE1 3.46Å; R8-E12 IonicContact NH2-OE1 3.28Å; R8-E12 PolarHBondContact NH2-OE1 3.36Å; R8-E12 PolarHBondContact O-N 3.05Å; R8-Y64 HydrophobicContact CB-CD1 4.41Å; R8-Y64 HydrophobicContact CB-CE1 4.41Å; R8-Y64 HydrophobicContact CG-CD1 3.95Å; R8-Y64 HydrophobicContact CG-CE1 3.56Å; R8-P65 HydrophobicContact CG-CB 4.43Å; R8-P65 HydrophobicContact CG-CG 4.25Å; R8-P112 PolarHBondContact NH1-O 3.48Å; R8-Q114 PolarHBondContact NH2-O 3.22Å
9L97.7Very high92.2Very high0 Ų079.3 Ų79.30%042%0.422CS..Hα-helixtrans-62.2-42.9179.9-69.8163.5000112.2A5 L6 A11 E12 Y13 F34 F35 W37 F60 Y64A5-L9 WeakPolarHBondContact O-CG 3.19Å; A5-L9 PolarHBondContact O-N 2.75Å; L6-L9 PolarHBondContact O-N 3.38Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 2.78Å; L9-E12 PolarHBondContact O-N 3.24Å; L9-Y13 WeakPolarHBondContact O-CB 3.21Å; L9-Y13 PolarHBondContact O-N 2.84Å; L9-F34 HydrophobicContact CB-CB 4.48Å; L9-F34 HydrophobicContact CB-CD1 4.45Å; L9-F35 HydrophobicContact CD1-CD1 3.94Å; L9-F35 HydrophobicContact CD1-CE1 3.99Å; L9-F35 HydrophobicContact CD1-CG 4.32Å; L9-F35 HydrophobicContact CD1-CZ 4.4Å; L9-W37 HydrophobicContact CB-CZ2 4.39Å; L9-W37 HydrophobicContact CD2-CZ2 4.33Å; L9-F60 HydrophobicContact CD1-CB 4.21Å; L9-F60 HydrophobicContact CD1-CG 4.33Å; L9-F60 HydrophobicContact CD2-CB 4.31Å; L9-F60 HydrophobicContact CD2-CD1 3.45Å; L9-F60 VanDerWaalsContact CD2-CD1 3.45Å; L9-F60 HydrophobicContact CD2-CD2 3.92Å; L9-F60 HydrophobicContact CD2-CE1 3.62Å; L9-F60 HydrophobicContact CD2-CE2 4.09Å; L9-F60 HydrophobicContact CD2-CG 3.61Å; L9-F60 HydrophobicContact CD2-CZ 3.94Å; L9-Y64 HydrophobicContact CD1-CD1 4.41Å; L9-Y64 HydrophobicContact CD2-CD1 3.72Å; L9-Y64 HydrophobicContact CD2-CE1 3.64Å; L9-Y64 HydrophobicContact CD2-CG 4.47Å; L9-Y64 HydrophobicContact CG-CD1 3.8Å; L9-Y64 HydrophobicContact CG-CE1 4.07Å
10M96.4Very high92.3Very high86 Ų8679.1 Ų79.142%0.42443%0.425SS..Hα-helixtrans-62.7-38.7175.1-73.4176.4162.700112.6L6 R8 K14 F34L6-M10 HydrophobicContact CD1-CE 3.89Å; L6-M10 HydrophobicContact CD1-CG 4.31Å; L6-M10 HydrophobicContact CD1-SD 4.32Å; L6-M10 HydrophobicContact CD2-CE 4.27Å; L6-M10 HydrophobicContact CG-CE 4.04Å; L6-M10 HydrophobicContact CG-SD 4.09Å; L6-M10 WeakPolarHBondContact O-CB 3.49Å; L6-M10 WeakPolarHBondContact O-CG 3.06Å; L6-M10 PolarHBondContact O-N 3.41Å; R8-M10 PolarHBondContact O-N 2.93Å; M10-K14 WeakPolarHBondContact O-CB 3.32Å; M10-K14 PolarHBondContact O-N 3.07Å; M10-F34 HydrophobicContact CE-CD2 4.06Å; M10-F34 HydrophobicContact CE-CE2 3.84Å; M10-F34 HydrophobicContact CE-CZ 4.22Å; M10-F34 HydrophobicContact CG-CD1 3.96Å; M10-F34 HydrophobicContact CG-CE1 3.78Å; M10-F34 HydrophobicContact CG-CE2 4.44Å; M10-F34 HydrophobicContact CG-CG 4.37Å; M10-F34 HydrophobicContact CG-CZ 4.04Å
11A96.9Very high92.5Very high51 Ų5176.1 Ų76.142%0.42141%0.41SS..Hα-helixtrans-66.5-44.617700000111.8K7 R8 L9 K14 Q15K7-A11 WeakPolarHBondContact O-CB 3.03Å; K7-A11 PolarHBondContact O-N 3.01Å; K7-A11 VanDerWaalsContact O-N 3.11Å; R8-A11 PolarHBondContact O-N 3.25Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 2.78Å; A11-K14 PolarHBondContact O-N 3.39Å; A11-Q15 WeakPolarHBondContact O-CG 3.47Å; A11-Q15 PolarHBondContact O-N 2.89Å
12E97.4Very high94.2Very high6 Ų676.6 Ų76.63%0.02841%0.41CS..Hα-helixtrans-65.7-39.9176-70.5-169.3-130.400112.3R8 L9 K14 Q15 L16 Y64 S115 V116R8-E12 IonicContact CZ-OE1 3.62Å; R8-E12 IonicContact NE-OE1 2.96Å; R8-E12 PolarHBondContact NE-OE1 3.46Å; R8-E12 IonicContact NH2-OE1 3.28Å; R8-E12 PolarHBondContact NH2-OE1 3.36Å; R8-E12 PolarHBondContact O-N 3.05Å; L9-E12 PolarHBondContact O-N 3.24Å; E12-K14 PolarHBondContact O-N 3.1Å; E12-Q15 PolarHBondContact O-N 2.7Å; E12-L16 PolarHBondContact O-N 3Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.43Å; E12-Y64 PolarHBondContact OE1-OH 3.2Å; E12-Y64 PolarHBondContact OE2-OH 3.05Å; E12-S115 WeakPolarHBondContact OE2-CA 3.47Å; E12-S115 WeakPolarHBondContact OE2-CB 3.33Å; E12-V116 WeakPolarHBondContact OE2-CG2 3.48Å; E12-V116 PolarHBondContact OE2-N 3.43Å
13Y97.5Very high95.5Very high71 Ų7176.1 Ų76.128%0.27841%0.41SS..Hα-helixtrans-59.2-48.3175178.4-127.9000110.8L9 Q15 L16 T17 P28 F34 W37L9-Y13 WeakPolarHBondContact O-CB 3.21Å; L9-Y13 PolarHBondContact O-N 2.84Å; Y13-Q15 VanDerWaalsContact C-N 3.28Å; Y13-Q15 PolarHBondContact O-N 3.4Å; Y13-L16 PolarHBondContact O-N 3.29Å; Y13-T17 PolarHBondContact O-N 3.22Å; Y13-T17 PolarHBondContact O-OG1 3.4Å; Y13-P28 HydrophobicContact CE1-CG 4.48Å; Y13-F34 AromaticContact CD1-CE1 3.84Å; Y13-F34 HydrophobicContact CD1-CE1 3.84Å; Y13-F34 HydrophobicContact CD1-CZ 4.22Å; Y13-F34 HydrophobicContact CG-CE1 4.23Å; Y13-W37 HydrophobicContact CD2-CH2 4.21Å; Y13-W37 HydrophobicContact CD2-CZ3 4.41Å; Y13-W37 HydrophobicContact CG-CH2 4.32Å
14K96.7Very high96.1Very high151 Ų15174.1 Ų74.166%0.65739%0.388SS*.Hα-helixtrans-57.1-41.9175.8-176.4-178.8178.7-178.40111.9M10 A11 E12 T17 V18M10-K14 WeakPolarHBondContact O-CB 3.32Å; M10-K14 PolarHBondContact O-N 3.07Å; A11-K14 PolarHBondContact O-N 3.39Å; E12-K14 PolarHBondContact O-N 3.1Å; K14-T17 PolarHBondContact O-N 2.69Å; K14-V18 HydrophobicContact CG-CG2 4.47Å; K14-V18 WeakPolarHBondContact O-CB 3.21Å; K14-V18 VanDerWaalsContact O-CG2 3.23Å; K14-V18 WeakPolarHBondContact O-CG2 2.95Å; K14-V18 PolarHBondContact O-N 3.42Å
15Q95.9Very high96.3Very high131 Ų13173.3 Ų73.361%0.61239%0.388SS*.Hα-helixtrans-64.2-47.1177.4-74.3-176.4-52.700111.8A11 E12 Y13 T17 V18 N19A11-Q15 WeakPolarHBondContact O-CG 3.47Å; A11-Q15 PolarHBondContact O-N 2.89Å; E12-Q15 PolarHBondContact O-N 2.7Å; Y13-Q15 VanDerWaalsContact C-N 3.28Å; Y13-Q15 PolarHBondContact O-N 3.4Å; Q15-T17 VanDerWaalsContact C-N 3.3Å; Q15-T17 PolarHBondContact O-N 3.12Å; Q15-V18 PolarHBondContact O-N 2.87Å; Q15-N19 PolarHBondContact O-N 3.49Å
16L96.1Very high96.4Very high15 Ų1574 Ų748%0.07939%0.394CS..Hα-helixtrans-63.7-32.6178-77.1166.6000112.9E12 Y13 P20 P21 A26 W37 V116 E117E12-L16 PolarHBondContact O-N 3Å; Y13-L16 PolarHBondContact O-N 3.29Å; L16-P20 VanDerWaalsContact O-CA 3.25Å; L16-P20 WeakPolarHBondContact O-CA 3.24Å; L16-P20 WeakPolarHBondContact O-CB 3.31Å; L16-P21 HydrophobicContact CD2-CG 4.33Å; L16-A26 HydrophobicContact CD1-CB 4.46Å; L16-W37 HydrophobicContact CD1-CH2 4.27Å; L16-W37 HydrophobicContact CD1-CZ3 3.67Å; L16-V116 HydrophobicContact CD1-CB 4.02Å; L16-V116 HydrophobicContact CD1-CG1 3.79Å; L16-E117 HydrophobicContact CD2-CB 3.95Å; L16-E117 HydrophobicContact CD2-CG 4.4Å
17T94.8Very high96.4Very high87 Ų8771.8 Ų71.853%0.53439%0.385SS..Hα-helixtrans-73.5-36.9174.5-50.40000112.5Y13 K14 Q15Y13-T17 PolarHBondContact O-N 3.22Å; Y13-T17 PolarHBondContact O-OG1 3.4Å; K14-T17 PolarHBondContact O-N 2.69Å; Q15-T17 VanDerWaalsContact C-N 3.3Å; Q15-T17 PolarHBondContact O-N 3.12Å
18V96Very high96.5Very high113 Ų11365.6 Ų65.669%0.68536%0.361SS*.Hα-helixtrans-77.1-37.3-177.8170.10000111.8K14 Q15K14-V18 HydrophobicContact CG-CG2 4.47Å; K14-V18 WeakPolarHBondContact O-CB 3.21Å; K14-V18 VanDerWaalsContact O-CG2 3.23Å; K14-V18 WeakPolarHBondContact O-CG2 2.95Å; K14-V18 PolarHBondContact O-N 3.42Å; Q15-V18 PolarHBondContact O-N 2.87Å
19N94.9Very high96.5Very high114 Ų11465.8 Ų65.861%0.6137%0.369SS*.SBendtrans-139.773.7-178.1-171.954.1000110.2Q15Q15-N19 PolarHBondContact O-N 3.49Å
20P94.1Very high96.3Very high74 Ų7468.5 Ų68.548%0.48138%0.383SS..PPolyproline II helixtrans-67.4136.817927-33.1000110.5L16L16-P20 VanDerWaalsContact O-CA 3.25Å; L16-P20 WeakPolarHBondContact O-CA 3.24Å; L16-P20 WeakPolarHBondContact O-CB 3.31Å
21P95.8Very high96Very high18 Ų1871.8 Ų71.812%0.11740%0.398CS..PPolyproline II helixtrans-61.2149.6168.8-18.930.7000111.2L16 G23 I24 E117 L121L16-P21 HydrophobicContact CD2-CG 4.33Å; P21-G23 PolarHBondContact O-N 3.22Å; P21-I24 HydrophobicContact CB-CB 4.2Å; P21-I24 HydrophobicContact CB-CD1 4.01Å; P21-I24 HydrophobicContact CB-CG1 4.37Å; P21-I24 HydrophobicContact CG-CD1 4.48Å; P21-I24 PolarHBondContact O-N 2.93Å; P21-I24 VanDerWaalsContact O-N 3.14Å; P21-E117 HydrophobicContact CG-CG 3.75Å; P21-L121 HydrophobicContact CB-CD2 4.15Å
22E94.9Very high95.9Very high193 Ų19379.8 Ų79.890%0.90242%0.417SS*.THydrogen-bonded Turntrans-58.8134.3177.8-174.7169.9-166.200111.4I24E22-I24 PolarHBondContact O-N 2.85Å
23G96.1Very high95.7Very high41 Ų4182.6 Ų82.642%0.42343%0.432SS..THydrogen-bonded Turntrans72.15.7-179.200000115.2P21 A42P21-G23 PolarHBondContact O-N 3.22Å; G23-A42 PolarHBondContact O-N 3.47Å
24I97.8Very high95.7Very high5 Ų580.2 Ų80.23%0.02642%0.424CS..EExtended strand (participates in β ladder)trans-125.2128.3-176.3-55.8179.3000110.7P21 E22 L40 L120 L121 V124P21-I24 HydrophobicContact CB-CB 4.2Å; P21-I24 HydrophobicContact CB-CD1 4.01Å; P21-I24 HydrophobicContact CB-CG1 4.37Å; P21-I24 HydrophobicContact CG-CD1 4.48Å; P21-I24 PolarHBondContact O-N 2.93Å; P21-I24 VanDerWaalsContact O-N 3.14Å; E22-I24 PolarHBondContact O-N 2.85Å; I24-L40 WeakPolarHBondContact CA-O 3.43Å; I24-L120 HydrophobicContact CD1-CB 3.88Å; I24-L120 HydrophobicContact CG2-CB 3.99Å; I24-L120 HydrophobicContact CG2-CD1 3.6Å; I24-L120 HydrophobicContact CG2-CG 4.3Å; I24-L121 HydrophobicContact CD1-CD2 4.13Å; I24-V124 HydrophobicContact CD1-CG2 3.78Å; I24-V124 HydrophobicContact CG1-CG2 4.21Å
25V96.9Very high95.7Very high103 Ų10375.4 Ų75.462%0.62440%0.403SS*.EExtended strand (participates in β ladder)trans-127.7131.6168.2-179.50000108A39 L40V25-A39 CarbonylContact O-C 3.59Å; V25-A39 WeakPolarHBondContact O-CA 3.48Å; V25-A39 VanDerWaalsContact O-CB 3.28Å; V25-A39 WeakPolarHBondContact O-CB 3.38Å; V25-L40 PolarHBondContact N-O 3.32Å; V25-L40 PolarHBondContact O-N 3.12Å
26A97.9Very high95.9Very high16 Ų1671.4 Ų71.413%0.13238%0.384CS..EExtended strand (participates in β ladder)trans-146145.8-17800000111.9L16 W37 E38 A39 L120L16-A26 HydrophobicContact CD1-CB 4.46Å; A26-W37 HydrophobicContact CB-CE3 4.35Å; A26-E38 WeakPolarHBondContact CA-O 3.38Å; A26-A39 HydrophobicContact CB-CB 3.53Å; A26-L120 HydrophobicContact CB-CD1 3.64Å
27G97.6Very high96Very high15 Ų1570.7 Ų70.716%0.15538%0.38CS..EExtended strand (participates in β ladder)trans-174.3170.6176.100000113.5W37 E38G27-W37 CarbonylContact O-C 3.55Å; G27-W37 WeakPolarHBondContact O-CA 3.43Å; G27-W37 WeakPolarHBondContact O-CB 3.42Å; G27-E38 PolarHBondContact N-O 2.94Å; G27-E38 PolarHBondContact O-N 3.45Å
28P97.9Very high96.1Very high21 Ų2170 Ų7014%0.13637%0.371CS..EExtended strand (participates in β ladder)trans-63.7140.4175.828.9-34.5000110.8Y13 D30 F34 E36Y13-P28 HydrophobicContact CE1-CG 4.48Å; P28-D30 PolarHBondContact O-N 3.14Å; P28-F34 HydrophobicContact CB-CD1 4.38Å; P28-F34 HydrophobicContact CB-CG 4.48Å; P28-F34 HydrophobicContact CG-CD1 4.27Å; P28-F34 HydrophobicContact CG-CE1 3.98Å; P28-F34 HydrophobicContact CG-CZ 4.15Å; P28-E36 WeakPolarHBondContact CA-O 3.31Å
29V96.9Very high96.2Very high71 Ų7164.7 Ų64.743%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-65.1-33.6176.7178.60000111.1E36 E38V29-E36 HydrophobicContact CG2-CG 4.03Å; V29-E36 PolarHBondContact N-O 3.33Å; V29-E38 HydrophobicContact CG2-CB 4.1Å; V29-E38 HydrophobicContact CG2-CG 3.6Å
30D94.6Very high96.4Very high56 Ų5663.4 Ų63.430%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-141.7131.3177.7-175-28.1000108.7P28 R32 N33P28-D30 PolarHBondContact O-N 3.14Å; D30-R32 PolarHBondContact O-N 3.02Å; D30-R32 VanDerWaalsContact OD1-CB 3.28Å; D30-R32 WeakPolarHBondContact OD1-CB 3.38Å; D30-R32 WeakPolarHBondContact OD1-CG 3.42Å; D30-R32 PolarHBondContact OD1-N 3.45Å; D30-R32 IonicContact OD1-NE 3.84Å; D30-R32 PolarHBondContact OD1-NE 3.28Å; D30-R32 VanDerWaalsContact OD1-NE 3.14Å; D30-R32 IonicContact OD2-CZ 3.19Å; D30-R32 VanDerWaalsContact OD2-CZ 3.22Å; D30-R32 IonicContact OD2-NE 3.9Å; D30-R32 PolarHBondContact OD2-NE 2.95Å; D30-R32 IonicContact OD2-NH2 3.79Å; D30-R32 PolarHBondContact OD2-NH2 2.9Å; D30-N33 CarbonylContact O-C 3.31Å; D30-N33 VanDerWaalsContact O-C 3.31Å; D30-N33 PolarHBondContact O-N 3.02Å
31E90.1Very high96.6Very high156 Ų15659.9 Ų59.973%0.72931%0.309SS*.THydrogen-bonded Turntrans-60.9-17178.2-62.6-17116400113.4F34E31-F34 WeakPolarHBondContact O-CD2 3.48Å; E31-F34 VanDerWaalsContact O-CE2 3.31Å; E31-F34 WeakPolarHBondContact O-CE2 3.38Å
32R93.1Very high96.7Very high218 Ų21860.9 Ų60.982%0.82332%0.319SS*.THydrogen-bonded Turntrans-79.3-21.3173.6-59.2175.9-651762.3112.9D30D30-R32 PolarHBondContact O-N 3.02Å; D30-R32 VanDerWaalsContact OD1-CB 3.28Å; D30-R32 WeakPolarHBondContact OD1-CB 3.38Å; D30-R32 WeakPolarHBondContact OD1-CG 3.42Å; D30-R32 PolarHBondContact OD1-N 3.45Å; D30-R32 IonicContact OD1-NE 3.84Å; D30-R32 PolarHBondContact OD1-NE 3.28Å; D30-R32 VanDerWaalsContact OD1-NE 3.14Å; D30-R32 IonicContact OD2-CZ 3.19Å; D30-R32 VanDerWaalsContact OD2-CZ 3.22Å; D30-R32 IonicContact OD2-NE 3.9Å; D30-R32 PolarHBondContact OD2-NE 2.95Å; D30-R32 IonicContact OD2-NH2 3.79Å; D30-R32 PolarHBondContact OD2-NH2 2.9Å
33N95Very high96.8Very high65 Ų6552.1 Ų52.135%0.34828%0.28SS..EExtended strand (participates in β ladder)trans-130.787.8-179.4-178.221.7000111.7D30 F35D30-N33 CarbonylContact O-C 3.31Å; D30-N33 VanDerWaalsContact O-C 3.31Å; D30-N33 PolarHBondContact O-N 3.02Å; N33-F35 PolarHBondContact O-N 3.33Å; N33-F35 VanDerWaalsContact O-N 3.16Å; N33-F35 WeakPolarHBondContact OD1-CB 3.36Å; N33-F35 PolarHBondContact OD1-N 3.04Å; N33-F35 VanDerWaalsContact OD1-N 3.13Å
34F96.4Very high96.8Very high22 Ų2251.2 Ų51.210%0.09627%0.267CS..EExtended strand (participates in β ladder)trans-70.6-3175.6-90-99.9000114.7L6 L9 M10 Y13 P28 E31 W37L6-F34 HydrophobicContact CD1-CB 3.53Å; L6-F34 HydrophobicContact CD1-CD2 4.14Å; L6-F34 HydrophobicContact CD1-CG 3.9Å; L9-F34 HydrophobicContact CB-CB 4.48Å; L9-F34 HydrophobicContact CB-CD1 4.45Å; M10-F34 HydrophobicContact CE-CD2 4.06Å; M10-F34 HydrophobicContact CE-CE2 3.84Å; M10-F34 HydrophobicContact CE-CZ 4.22Å; M10-F34 HydrophobicContact CG-CD1 3.96Å; M10-F34 HydrophobicContact CG-CE1 3.78Å; M10-F34 HydrophobicContact CG-CE2 4.44Å; M10-F34 HydrophobicContact CG-CG 4.37Å; M10-F34 HydrophobicContact CG-CZ 4.04Å; Y13-F34 AromaticContact CD1-CE1 3.84Å; Y13-F34 HydrophobicContact CD1-CE1 3.84Å; Y13-F34 HydrophobicContact CD1-CZ 4.22Å; Y13-F34 HydrophobicContact CG-CE1 4.23Å; P28-F34 HydrophobicContact CB-CD1 4.38Å; P28-F34 HydrophobicContact CB-CG 4.48Å; P28-F34 HydrophobicContact CG-CD1 4.27Å; P28-F34 HydrophobicContact CG-CE1 3.98Å; P28-F34 HydrophobicContact CG-CZ 4.15Å; E31-F34 WeakPolarHBondContact O-CD2 3.48Å; E31-F34 VanDerWaalsContact O-CE2 3.31Å; E31-F34 WeakPolarHBondContact O-CE2 3.38Å; F34-W37 PolarHBondContact O-NE1 2.81Å
35F97.7Very high96.7Very high49 Ų4959.2 Ų59.222%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-90.7-2.8-179.5-66.7-94.2000113.5A5 L9 N33 F60A5-F35 HydrophobicContact CB-CE1 3.71Å; A5-F35 HydrophobicContact CB-CZ 3.9Å; L9-F35 HydrophobicContact CD1-CD1 3.94Å; L9-F35 HydrophobicContact CD1-CE1 3.99Å; L9-F35 HydrophobicContact CD1-CG 4.32Å; L9-F35 HydrophobicContact CD1-CZ 4.4Å; N33-F35 PolarHBondContact O-N 3.33Å; N33-F35 VanDerWaalsContact O-N 3.16Å; N33-F35 WeakPolarHBondContact OD1-CB 3.36Å; N33-F35 PolarHBondContact OD1-N 3.04Å; N33-F35 VanDerWaalsContact OD1-N 3.13Å; F35-F60 HydrophobicContact CB-CB 4.44Å; F35-F60 HydrophobicContact CD1-CB 4.07Å; F35-F60 WeakPolarHBondContact O-CD2 3.41Å; F35-F60 PolarHBondContact O-N 3.29Å
36E98.3Very high96.6Very high47 Ų4757.9 Ų57.922%0.2231%0.311CS..EExtended strand (participates in β ladder)trans-126.7118.4173.7-174.6177.4-167.500109.3P28 V29 R57 L58P28-E36 WeakPolarHBondContact CA-O 3.31Å; V29-E36 HydrophobicContact CG2-CG 4.03Å; V29-E36 PolarHBondContact N-O 3.33Å; E36-R57 HydrophobicContact CG-CG 4.3Å; E36-R57 VanDerWaalsContact OE1-CD 3.27Å; E36-R57 WeakPolarHBondContact OE1-CD 3.33Å; E36-R57 IonicContact OE1-CZ 3.22Å; E36-R57 VanDerWaalsContact OE1-CZ 3.26Å; E36-R57 IonicContact OE1-NE 2.84Å; E36-R57 PolarHBondContact OE1-NE 3Å; E36-R57 IonicContact OE1-NH1 2.67Å; E36-R57 PolarHBondContact OE1-NH1 2.81Å; E36-L58 WeakPolarHBondContact CA-O 3.36Å
37W98.5Very high96.6Very high0 Ų058 Ų580%031%0.31CS..EExtended strand (participates in β ladder)trans-120.7154.4-179.9-70.433.7000110.5L9 Y13 L16 A26 G27 F34 R57 L58 F60 V116L9-W37 HydrophobicContact CB-CZ2 4.39Å; L9-W37 HydrophobicContact CD2-CZ2 4.33Å; Y13-W37 HydrophobicContact CD2-CH2 4.21Å; Y13-W37 HydrophobicContact CD2-CZ3 4.41Å; Y13-W37 HydrophobicContact CG-CH2 4.32Å; L16-W37 HydrophobicContact CD1-CH2 4.27Å; L16-W37 HydrophobicContact CD1-CZ3 3.67Å; A26-W37 HydrophobicContact CB-CE3 4.35Å; G27-W37 CarbonylContact O-C 3.55Å; G27-W37 WeakPolarHBondContact O-CA 3.43Å; G27-W37 WeakPolarHBondContact O-CB 3.42Å; F34-W37 PolarHBondContact O-NE1 2.81Å; W37-R57 CarbonylContact O-C 3.56Å; W37-R57 WeakPolarHBondContact O-CA 3.4Å; W37-L58 HydrophobicContact CB-CB 4.31Å; W37-L58 HydrophobicContact CB-CD1 4.41Å; W37-L58 PolarHBondContact N-O 3.25Å; W37-L58 PolarHBondContact O-N 3.04Å; W37-F60 HydrophobicContact CB-CE2 3.91Å; W37-F60 AromaticContact CD1-CD2 3.95Å; W37-F60 AromaticContact CD1-CE2 3.48Å; W37-F60 VanDerWaalsContact CD1-CE2 3.48Å; W37-F60 AromaticContact CD2-CE2 3.89Å; W37-F60 HydrophobicContact CD2-CE2 3.89Å; W37-F60 HydrophobicContact CD2-CZ 4.23Å; W37-F60 HydrophobicContact CG-CD2 4.38Å; W37-F60 AromaticContact CG-CE2 3.51Å; W37-F60 HydrophobicContact CG-CE2 3.51Å; W37-F60 HydrophobicContact CG-CZ 4.27Å; W37-F60 AromaticContact NE1-CE2 3.82Å; W37-V116 HydrophobicContact CE3-CG1 4.24Å; W37-V116 HydrophobicContact CZ3-CG1 4.02Å
38E98.3Very high96.5Very high73 Ų7358.9 Ų58.934%0.34131%0.313SS..EExtended strand (participates in β ladder)trans-116.3149.1163.5-79.8176.3-18000109.9A26 G27 V29 V56 R57 L74A26-E38 WeakPolarHBondContact CA-O 3.38Å; G27-E38 PolarHBondContact N-O 2.94Å; G27-E38 PolarHBondContact O-N 3.45Å; V29-E38 HydrophobicContact CG2-CB 4.1Å; V29-E38 HydrophobicContact CG2-CG 3.6Å; E38-V56 CarbonylContact C-O 3.45Å; E38-V56 VanDerWaalsContact CA-O 3.25Å; E38-V56 WeakPolarHBondContact CA-O 3.4Å; E38-R57 IonicContact OE1-CZ 3.75Å; E38-R57 IonicContact OE1-NE 2.83Å; E38-R57 PolarHBondContact OE1-NE 3.38Å; E38-R57 IonicContact OE1-NH2 2.84Å; E38-R57 PolarHBondContact OE1-NH2 3.45Å; E38-L74 HydrophobicContact CG-CD1 4.3Å
39A98.1Very high96.4Very high2 Ų257.9 Ų57.92%0.01731%0.307CS..EExtended strand (participates in β ladder)trans-135.6150.3170.500000111V25 A26 A55 V56 L58 L120V25-A39 CarbonylContact O-C 3.59Å; V25-A39 WeakPolarHBondContact O-CA 3.48Å; V25-A39 VanDerWaalsContact O-CB 3.28Å; V25-A39 WeakPolarHBondContact O-CB 3.38Å; A26-A39 HydrophobicContact CB-CB 3.53Å; A39-A55 WeakPolarHBondContact O-CA 3.31Å; A39-V56 HydrophobicContact CB-CG2 3.63Å; A39-V56 PolarHBondContact N-O 2.87Å; A39-V56 WeakPolarHBondContact O-CG2 3.48Å; A39-V56 PolarHBondContact O-N 3.28Å; A39-L58 HydrophobicContact CB-CD1 4.2Å; A39-L120 HydrophobicContact CB-CD1 4.31Å; A39-L120 HydrophobicContact CB-CD2 3.85Å
40L98Very high96.5Very high86 Ų8659.7 Ų59.745%0.4531%0.311SS..EExtended strand (participates in β ladder)trans-109.2127.3168.8-62.4-179.8000107.7I24 V25 V53 F54 A55I24-L40 WeakPolarHBondContact CA-O 3.43Å; V25-L40 PolarHBondContact N-O 3.32Å; V25-L40 PolarHBondContact O-N 3.12Å; L40-V53 HydrophobicContact CB-CG1 4.26Å; L40-V53 HydrophobicContact CD2-CG1 4.43Å; L40-F54 WeakPolarHBondContact CA-O 3.39Å; L40-A55 HydrophobicContact CD2-CB 3.7Å
41I98.1Very high96.5Very high0 Ų059.4 Ų59.40%032%0.321CS..EExtended strand (participates in β ladder)trans-120.2119.1-179.5-57.2175.7000108.1F54 V56 M71 L120 V123 V124I41-F54 PolarHBondContact N-O 3.48Å; I41-F54 PolarHBondContact O-N 2.87Å; I41-V56 HydrophobicContact CD1-CG1 4.3Å; I41-V56 HydrophobicContact CD1-CG2 4Å; I41-V56 HydrophobicContact CG1-CG2 4.38Å; I41-M71 HydrophobicContact CD1-CE 3.83Å; I41-L120 HydrophobicContact CD1-CD2 3.9Å; I41-L120 HydrophobicContact CG1-CD2 4.39Å; I41-V123 HydrophobicContact CD1-CB 4.15Å; I41-V123 HydrophobicContact CD1-CG1 3.72Å; I41-V124 HydrophobicContact CG2-CG2 3.52Å
42A97.7Very high96.9Very high40 Ų4052 Ų5233%0.33129%0.287SS..EExtended strand (participates in β ladder)trans-69.3137.8171.200000110.3G23 G52G23-A42 PolarHBondContact O-N 3.47Å; A42-G52 WeakPolarHBondContact CA-O 3.4Å
43G97.2Very high97.1Very high9 Ų944.6 Ų44.69%0.09327%0.266CS..PPolyproline II helixtrans-62.7129.617200000111F49 G52G43-F49 WeakPolarHBondContact CA-O 3.32Å; G43-G52 PolarHBondContact N-O 3.43Å
44P97.1Very high97.2Very high21 Ų2141.5 Ų41.514%0.13625%0.249CC..PPolyproline II helixtrans-65144.5-175.3-5.914.4000112.3T47 V124 L127 A128P44-T47 HydrophobicContact CB-CG2 3.74Å; P44-T47 HydrophobicContact CG-CG2 4.05Å; P44-T47 WeakPolarHBondContact O-CB 3.48Å; P44-T47 WeakPolarHBondContact O-CG2 3.46Å; P44-T47 PolarHBondContact O-N 3.18Å; P44-T47 PolarHBondContact O-OG1 3.29Å; P44-V124 HydrophobicContact CB-CG1 4.29Å; P44-V124 HydrophobicContact CG-CG1 3.87Å; P44-V124 WeakPolarHBondContact CG-O 3.42Å; P44-L127 HydrophobicContact CG-CB 4.12Å; P44-A128 HydrophobicContact CB-CB 4.45Å; P44-A128 HydrophobicContact CG-CB 4.21Å
45E96.1Very high97.3Very high173 Ų17341.6 Ų41.681%0.80825%0.254SS*.THydrogen-bonded Turntrans-61.9144.6175.8-64-172.9172.400111.8T47E45-T47 PolarHBondContact O-N 2.81Å
46G95.2Very high97.3Very high75 Ų7539.3 Ų39.377%0.77324%0.244SC*.THydrogen-bonded Turntrans767-178.300000114.4E50G46-E50 PolarHBondContact N-OE2 3.19Å
47T95.8Very high97.3Very high19 Ų1940.6 Ų40.612%0.11725%0.247CC..SBendtrans-110161-179.478.70000111.5P44 E45 F49 E50 A128P44-T47 HydrophobicContact CB-CG2 3.74Å; P44-T47 HydrophobicContact CG-CG2 4.05Å; P44-T47 WeakPolarHBondContact O-CB 3.48Å; P44-T47 WeakPolarHBondContact O-CG2 3.46Å; P44-T47 PolarHBondContact O-N 3.18Å; P44-T47 PolarHBondContact O-OG1 3.29Å; E45-T47 PolarHBondContact O-N 2.81Å; T47-F49 PolarHBondContact O-N 3Å; T47-F49 PolarHBondContact OG1-N 3.49Å; T47-E50 VanDerWaalsContact O-CB 3.32Å; T47-E50 WeakPolarHBondContact O-CB 3.25Å; T47-E50 PolarHBondContact O-N 3.31Å; T47-E50 PolarHBondContact OG1-N 2.98Å; T47-A128 HydrophobicContact CG2-CB 3.64Å
48P95.8Very high97.3Very high34 Ų3440.6 Ų40.622%0.22125%0.247CC..THydrogen-bonded Turntrans-60.1-12.7172.4-24.736.5000114.7F151 N152 A155P48-F151 HydrophobicContact CB-CE1 4.39Å; P48-F151 HydrophobicContact CG-CD1 4.34Å; P48-F151 HydrophobicContact CG-CE1 4.21Å; P48-N152 WeakPolarHBondContact CG-OD1 3.33Å; P48-A155 HydrophobicContact CB-CB 3.51Å
49F97.4Very high97.3Very high0 Ų040.2 Ų40.20%025%0.247CC..THydrogen-bonded Turntrans-99.4-1.8179.7-59.7-76.1000113.3G43 T47 G51 G52 F54 V77 H79 L127 F151 A155 V159G43-F49 WeakPolarHBondContact CA-O 3.32Å; T47-F49 PolarHBondContact O-N 3Å; T47-F49 PolarHBondContact OG1-N 3.49Å; F49-G51 PolarHBondContact O-N 3.29Å; F49-G52 PolarHBondContact O-N 3Å; F49-F54 HydrophobicContact CB-CE2 3.96Å; F49-F54 HydrophobicContact CB-CZ 3.98Å; F49-F54 HydrophobicContact CD1-CE2 4.45Å; F49-F54 AromaticContact CD1-CZ 3.82Å; F49-F54 HydrophobicContact CD1-CZ 3.82Å; F49-F54 HydrophobicContact CG-CZ 4.32Å; F49-V77 HydrophobicContact CD1-CG1 4.48Å; F49-V77 HydrophobicContact CE1-CG1 3.86Å; F49-H79 AromaticContact CE2-CD2 3.71Å; F49-H79 HydrophobicContact CZ-CB 4.42Å; F49-H79 AromaticContact CZ-CD2 3.71Å; F49-L127 HydrophobicContact CD1-CD2 4.41Å; F49-L127 HydrophobicContact CD2-CB 4.14Å; F49-L127 HydrophobicContact CD2-CD2 4.07Å; F49-L127 VanDerWaalsContact CD2-O 3.31Å; F49-L127 WeakPolarHBondContact CD2-O 3.05Å; F49-L127 HydrophobicContact CE1-CD2 4.5Å; F49-L127 HydrophobicContact CE2-CD2 4.17Å; F49-L127 HydrophobicContact CG-CD2 4.2Å; F49-L127 HydrophobicContact CZ-CD2 4.39Å; F49-F151 HydrophobicContact CE2-CE1 4.41Å; F49-F151 HydrophobicContact CE2-CZ 4.47Å; F49-F151 HydrophobicContact CZ-CE1 4.45Å; F49-F151 HydrophobicContact CZ-CZ 4.29Å; F49-A155 HydrophobicContact CD1-CB 4.11Å; F49-A155 HydrophobicContact CE1-CB 3.73Å; F49-A155 HydrophobicContact CZ-CB 3.95Å; F49-V159 WeakPolarHBondContact O-CG2 3.45Å
50E97.1Very high97.4Very high108 Ų10840.7 Ų40.751%0.50525%0.249SC..THydrogen-bonded Turntrans-49.3136179.3-177.6179.3146.200111.7G46 T47 G52G46-E50 PolarHBondContact N-OE2 3.19Å; T47-E50 VanDerWaalsContact O-CB 3.32Å; T47-E50 WeakPolarHBondContact O-CB 3.25Å; T47-E50 PolarHBondContact O-N 3.31Å; T47-E50 PolarHBondContact OG1-N 2.98Å; E50-G52 PolarHBondContact O-N 3.4Å
51G96.4Very high97.3Very high51 Ų5138.3 Ų38.353%0.52624%0.239SC..THydrogen-bonded Turntrans79.7-7.3-177.900000115F49F49-G51 PolarHBondContact O-N 3.29Å
52G97Very high97.2Very high1 Ų142.3 Ų42.31%0.0127%0.267CS..  trans-73.3155.1171.300000113A42 G43 F49 E50 S162A42-G52 WeakPolarHBondContact CA-O 3.4Å; G43-G52 PolarHBondContact N-O 3.43Å; F49-G52 PolarHBondContact O-N 3Å; E50-G52 PolarHBondContact O-N 3.4Å; G52-S162 WeakPolarHBondContact CA-OG 3.32Å
53V97.7Very high97.1Very high62 Ų6242.6 Ų42.638%0.37626%0.262SS..EExtended strand (participates in β ladder)trans-131.5102171.9-179.30000108.7L40 S162 L163L40-V53 HydrophobicContact CB-CG1 4.26Å; L40-V53 HydrophobicContact CD2-CG1 4.43Å; V53-S162 PolarHBondContact N-OG 2.99Å; V53-S162 VanDerWaalsContact O-CB 3.29Å; V53-S162 WeakPolarHBondContact O-CB 3.31Å; V53-L163 HydrophobicContact CB-CD2 4.36Å; V53-L163 HydrophobicContact CG2-CD2 4.09Å
54F98.1Very high97.1Very high0 Ų042.3 Ų42.30%026%0.259CS..EExtended strand (participates in β ladder)trans-97.5118.8-170.1-54.4-76.4000111.2L40 I41 F49 F73 V77 L127 V159L40-F54 WeakPolarHBondContact CA-O 3.39Å; I41-F54 PolarHBondContact N-O 3.48Å; I41-F54 PolarHBondContact O-N 2.87Å; F49-F54 HydrophobicContact CB-CE2 3.96Å; F49-F54 HydrophobicContact CB-CZ 3.98Å; F49-F54 HydrophobicContact CD1-CE2 4.45Å; F49-F54 AromaticContact CD1-CZ 3.82Å; F49-F54 HydrophobicContact CD1-CZ 3.82Å; F49-F54 HydrophobicContact CG-CZ 4.32Å; F54-F73 HydrophobicContact CB-CD1 3.82Å; F54-F73 HydrophobicContact CB-CE1 3.52Å; F54-F73 HydrophobicContact CD1-CE1 4.45Å; F54-F73 HydrophobicContact CG-CD1 4.43Å; F54-F73 AromaticContact CG-CE1 4Å; F54-F73 HydrophobicContact CG-CE1 4Å; F54-V77 HydrophobicContact CD1-CG2 3.71Å; F54-V77 HydrophobicContact CE1-CG2 4.08Å; F54-L127 HydrophobicContact CD2-CD1 4.12Å; F54-L127 HydrophobicContact CE2-CD1 4.33Å; F54-V159 HydrophobicContact CZ-CG2 4.2Å
55A97.9Very high97.1Very high24 Ų2442.4 Ų42.420%0.19826%0.259CS..EExtended strand (participates in β ladder)trans-81.6131.3172.400000110.6A39 L40 L74A39-A55 WeakPolarHBondContact O-CA 3.31Å; L40-A55 HydrophobicContact CD2-CB 3.7Å; A55-L74 HydrophobicContact CB-CB 4.2Å; A55-L74 HydrophobicContact CB-CD1 4.1Å; A55-L74 HydrophobicContact CB-CG 4.46Å; A55-L74 PolarHBondContact O-N 2.82Å
56V98.4Very high97.1Very high0 Ų038.7 Ų38.70%024%0.244CC..EExtended strand (participates in β ladder)trans-131.6151.7-179.8-62.40000110.4E38 A39 I41 L58 M71 Q72 F73 L120E38-V56 CarbonylContact C-O 3.45Å; E38-V56 VanDerWaalsContact CA-O 3.25Å; E38-V56 WeakPolarHBondContact CA-O 3.4Å; A39-V56 HydrophobicContact CB-CG2 3.63Å; A39-V56 PolarHBondContact N-O 2.87Å; A39-V56 WeakPolarHBondContact O-CG2 3.48Å; A39-V56 PolarHBondContact O-N 3.28Å; I41-V56 HydrophobicContact CD1-CG1 4.3Å; I41-V56 HydrophobicContact CD1-CG2 4Å; I41-V56 HydrophobicContact CG1-CG2 4.38Å; V56-L58 HydrophobicContact CG2-CD1 4.38Å; V56-M71 HydrophobicContact CB-CE 3.64Å; V56-M71 HydrophobicContact CB-CG 4.48Å; V56-M71 HydrophobicContact CG1-CE 3.54Å; V56-M71 HydrophobicContact CG2-CE 3.6Å; V56-Q72 CarbonylContact C-O 3.26Å; V56-Q72 VanDerWaalsContact CA-O 3.25Å; V56-Q72 WeakPolarHBondContact CA-O 3.47Å; V56-F73 HydrophobicContact CG1-CB 4.48Å; V56-F73 HydrophobicContact CG1-CD1 3.55Å; V56-F73 HydrophobicContact CG1-CD2 4.05Å; V56-F73 HydrophobicContact CG1-CE1 3.67Å; V56-F73 HydrophobicContact CG1-CE2 4.13Å; V56-F73 HydrophobicContact CG1-CG 3.77Å; V56-F73 HydrophobicContact CG1-CZ 3.95Å; V56-L120 HydrophobicContact CG2-CD2 4.47Å
57R98.4Very high97.1Very high75 Ų7537 Ų3728%0.28322%0.221SC..EExtended strand (participates in β ladder)trans-116.2132.9175-176170-67.9-171.58.7110.6E36 W37 E38 M71 Q72 L74E36-R57 HydrophobicContact CG-CG 4.3Å; E36-R57 VanDerWaalsContact OE1-CD 3.27Å; E36-R57 WeakPolarHBondContact OE1-CD 3.33Å; E36-R57 IonicContact OE1-CZ 3.22Å; E36-R57 VanDerWaalsContact OE1-CZ 3.26Å; E36-R57 IonicContact OE1-NE 2.84Å; E36-R57 PolarHBondContact OE1-NE 3Å; E36-R57 IonicContact OE1-NH1 2.67Å; E36-R57 PolarHBondContact OE1-NH1 2.81Å; W37-R57 CarbonylContact O-C 3.56Å; W37-R57 WeakPolarHBondContact O-CA 3.4Å; E38-R57 IonicContact OE1-CZ 3.75Å; E38-R57 IonicContact OE1-NE 2.83Å; E38-R57 PolarHBondContact OE1-NE 3.38Å; E38-R57 IonicContact OE1-NH2 2.84Å; E38-R57 PolarHBondContact OE1-NH2 3.45Å; R57-M71 WeakPolarHBondContact O-CA 3.42Å; R57-Q72 PolarHBondContact N-O 3.22Å; R57-Q72 PolarHBondContact O-N 3.12Å; R57-L74 HydrophobicContact CB-CD2 3.87Å; R57-L74 HydrophobicContact CB-CG 4.4Å
58L98.6Very high97.2Very high0 Ų037.1 Ų37.10%022%0.222CC..EExtended strand (participates in β ladder)trans-111.4126.7173.7-58.996.5000109.9E36 W37 A39 V56 F60 P69 K70 M71 V116 I119 L120E36-L58 WeakPolarHBondContact CA-O 3.36Å; W37-L58 HydrophobicContact CB-CB 4.31Å; W37-L58 HydrophobicContact CB-CD1 4.41Å; W37-L58 PolarHBondContact N-O 3.25Å; W37-L58 PolarHBondContact O-N 3.04Å; A39-L58 HydrophobicContact CB-CD1 4.2Å; V56-L58 HydrophobicContact CG2-CD1 4.38Å; L58-F60 HydrophobicContact CB-CE2 3.82Å; L58-F60 HydrophobicContact CB-CZ 3.99Å; L58-F60 HydrophobicContact CD2-CZ 4.29Å; L58-P69 HydrophobicContact CD2-CG 4.44Å; L58-K70 CarbonylContact C-O 3.42Å; L58-K70 WeakPolarHBondContact CA-O 3.32Å; L58-M71 HydrophobicContact CG-CG 4.39Å; L58-V116 HydrophobicContact CD2-CG1 4.39Å; L58-I119 HydrophobicContact CD2-CG2 4.35Å; L58-L120 HydrophobicContact CD1-CD2 4.35Å
59N98.3Very high97.3Very high64 Ų6435.7 Ų35.734%0.34221%0.212SC..EExtended strand (participates in β ladder)trans-112.5112.9175.5-71.2-86.8000109.2P69 K70N59-P69 CarbonylContact O-C 3.53Å; N59-P69 VanDerWaalsContact O-CA 3.22Å; N59-P69 WeakPolarHBondContact O-CA 3.45Å; N59-P69 WeakPolarHBondContact O-CB 3.4Å; N59-K70 PolarHBondContact N-O 3.22Å; N59-K70 PolarHBondContact O-N 3.02Å
60F98.2Very high97.3Very high13 Ų1343.7 Ų43.76%0.05725%0.247CC..  trans-89.2135.8-177.4-62.2-88.9000111L9 F35 W37 L58 Y64 P69 V116L9-F60 HydrophobicContact CD1-CB 4.21Å; L9-F60 HydrophobicContact CD1-CG 4.33Å; L9-F60 HydrophobicContact CD2-CB 4.31Å; L9-F60 HydrophobicContact CD2-CD1 3.45Å; L9-F60 VanDerWaalsContact CD2-CD1 3.45Å; L9-F60 HydrophobicContact CD2-CD2 3.92Å; L9-F60 HydrophobicContact CD2-CE1 3.62Å; L9-F60 HydrophobicContact CD2-CE2 4.09Å; L9-F60 HydrophobicContact CD2-CG 3.61Å; L9-F60 HydrophobicContact CD2-CZ 3.94Å; F35-F60 HydrophobicContact CB-CB 4.44Å; F35-F60 HydrophobicContact CD1-CB 4.07Å; F35-F60 WeakPolarHBondContact O-CD2 3.41Å; F35-F60 PolarHBondContact O-N 3.29Å; W37-F60 HydrophobicContact CB-CE2 3.91Å; W37-F60 AromaticContact CD1-CD2 3.95Å; W37-F60 AromaticContact CD1-CE2 3.48Å; W37-F60 VanDerWaalsContact CD1-CE2 3.48Å; W37-F60 AromaticContact CD2-CE2 3.89Å; W37-F60 HydrophobicContact CD2-CE2 3.89Å; W37-F60 HydrophobicContact CD2-CZ 4.23Å; W37-F60 HydrophobicContact CG-CD2 4.38Å; W37-F60 AromaticContact CG-CE2 3.51Å; W37-F60 HydrophobicContact CG-CE2 3.51Å; W37-F60 HydrophobicContact CG-CZ 4.27Å; W37-F60 AromaticContact NE1-CE2 3.82Å; L58-F60 HydrophobicContact CB-CE2 3.82Å; L58-F60 HydrophobicContact CB-CZ 3.99Å; L58-F60 HydrophobicContact CD2-CZ 4.29Å; F60-Y64 HydrophobicContact CD1-CD1 4.37Å; F60-Y64 AromaticContact CD1-CD2 3.74Å; F60-Y64 HydrophobicContact CD1-CD2 3.74Å; F60-Y64 HydrophobicContact CD1-CE1 4.38Å; F60-Y64 AromaticContact CD1-CE2 3.77Å; F60-Y64 HydrophobicContact CD1-CE2 3.77Å; F60-Y64 HydrophobicContact CD1-CG 4.06Å; F60-Y64 HydrophobicContact CE1-CD2 4.44Å; F60-Y64 HydrophobicContact CE1-CE2 4.01Å; F60-P69 HydrophobicContact CD1-CB 3.64Å; F60-P69 HydrophobicContact CD1-CG 4.13Å; F60-P69 HydrophobicContact CE1-CB 3.78Å; F60-P69 HydrophobicContact CE1-CG 3.89Å; F60-P69 HydrophobicContact CG-CB 4.18Å; F60-P69 HydrophobicContact CZ-CB 4.39Å; F60-V116 HydrophobicContact CE1-CG2 3.51Å; F60-V116 HydrophobicContact CZ-CG2 3.49Å; F60-V116 VanDerWaalsContact CZ-CG2 3.49Å
61P97.1Very high97.4Very high36 Ų3638.8 Ų38.823%0.23422%0.224CC..  trans-75.4160.8175.134.9-37.4000111D63 Y64 S67 P68P61-D63 WeakPolarHBondContact CB-OD1 3.31Å; P61-D63 WeakPolarHBondContact CG-OD1 3.49Å; P61-D63 PolarHBondContact O-N 2.95Å; P61-Y64 WeakPolarHBondContact O-CB 3.48Å; P61-Y64 PolarHBondContact O-N 3.3Å; P61-Y64 VanDerWaalsContact O-N 3.13Å; P61-S67 WeakPolarHBondContact CG-O 3.49Å; P61-P68 WeakPolarHBondContact CD-O 3.25Å
62S96Very high97.5Very high84 Ų8440 Ų4059%0.58722%0.216SC*.THydrogen-bonded Turntrans-69.8-13.3-176630000114.3
63D96Very high97.5Very high46 Ų4640.1 Ų40.125%0.24622%0.217CC..THydrogen-bonded Turntrans-102.37.2176.670.5-29.5000113.1P61 L66 S67P61-D63 WeakPolarHBondContact CB-OD1 3.31Å; P61-D63 WeakPolarHBondContact CG-OD1 3.49Å; P61-D63 PolarHBondContact O-N 2.95Å; D63-L66 HydrophobicContact CB-CB 4.44Å; D63-L66 HydrophobicContact CB-CD1 4.49Å; D63-L66 VanDerWaalsContact O-CB 3.25Å; D63-L66 WeakPolarHBondContact O-CB 3.49Å; D63-L66 WeakPolarHBondContact O-CG 3.46Å; D63-L66 PolarHBondContact O-N 2.95Å; D63-S67 WeakPolarHBondContact OD1-CB 3.42Å; D63-S67 WeakPolarHBondContact OD2-CB 3.42Å; D63-S67 PolarHBondContact OD2-OG 3.33Å
64Y97.5Very high97.5Very high3 Ų340.9 Ų40.91%0.01222%0.218CC..THydrogen-bonded Turntrans-49134.9174.7-175.3-99.6000111A5 R8 L9 E12 F60 P61 W110A5-Y64 WeakPolarHBondContact CA-O 3.29Å; A5-Y64 WeakPolarHBondContact CB-O 3.45Å; R8-Y64 HydrophobicContact CB-CD1 4.41Å; R8-Y64 HydrophobicContact CB-CE1 4.41Å; R8-Y64 HydrophobicContact CG-CD1 3.95Å; R8-Y64 HydrophobicContact CG-CE1 3.56Å; L9-Y64 HydrophobicContact CD1-CD1 4.41Å; L9-Y64 HydrophobicContact CD2-CD1 3.72Å; L9-Y64 HydrophobicContact CD2-CE1 3.64Å; L9-Y64 HydrophobicContact CD2-CG 4.47Å; L9-Y64 HydrophobicContact CG-CD1 3.8Å; L9-Y64 HydrophobicContact CG-CE1 4.07Å; E12-Y64 WeakPolarHBondContact OE1-CE1 3.43Å; E12-Y64 PolarHBondContact OE1-OH 3.2Å; E12-Y64 PolarHBondContact OE2-OH 3.05Å; F60-Y64 HydrophobicContact CD1-CD1 4.37Å; F60-Y64 AromaticContact CD1-CD2 3.74Å; F60-Y64 HydrophobicContact CD1-CD2 3.74Å; F60-Y64 HydrophobicContact CD1-CE1 4.38Å; F60-Y64 AromaticContact CD1-CE2 3.77Å; F60-Y64 HydrophobicContact CD1-CE2 3.77Å; F60-Y64 HydrophobicContact CD1-CG 4.06Å; F60-Y64 HydrophobicContact CE1-CD2 4.44Å; F60-Y64 HydrophobicContact CE1-CE2 4.01Å; P61-Y64 WeakPolarHBondContact O-CB 3.48Å; P61-Y64 PolarHBondContact O-N 3.3Å; P61-Y64 VanDerWaalsContact O-N 3.13Å; Y64-W110 HydrophobicContact CD2-CZ2 4.02Å; Y64-W110 AromaticContact CE2-CH2 3.51Å; Y64-W110 HydrophobicContact CE2-CH2 3.51Å; Y64-W110 AromaticContact CE2-CZ2 3.39Å; Y64-W110 HydrophobicContact CE2-CZ2 3.39Å
65P96.5Very high97.3Very high23 Ų2342.8 Ų42.815%0.14923%0.23CC..THydrogen-bonded Turncis-94208.539.3-38.1000115R8 W110 P112R8-P65 HydrophobicContact CG-CB 4.43Å; R8-P65 HydrophobicContact CG-CG 4.25Å; P65-W110 HydrophobicContact CB-CZ2 4.19Å; P65-W110 PolarHBondContact O-NE1 2.93Å; P65-P112 HydrophobicContact CB-CB 4.41Å; P65-P112 HydrophobicContact CG-CB 4.13Å
66L95.4Very high97Very high95 Ų9546.5 Ų46.550%0.49724%0.243SC..SBendtrans-67.6-40.3178.9-60.4179.6000111.9D63 P112D63-L66 HydrophobicContact CB-CB 4.44Å; D63-L66 HydrophobicContact CB-CD1 4.49Å; D63-L66 VanDerWaalsContact O-CB 3.25Å; D63-L66 WeakPolarHBondContact O-CB 3.49Å; D63-L66 WeakPolarHBondContact O-CG 3.46Å; D63-L66 PolarHBondContact O-N 2.95Å; L66-P112 HydrophobicContact CD2-CG 4.28Å
67S96.1Very high96.9Very high40 Ų4047 Ų4728%0.2825%0.246SC..SBendtrans-110.5147.2174.3-61.90000110.9P61 D63 W110P61-S67 WeakPolarHBondContact CG-O 3.49Å; D63-S67 WeakPolarHBondContact OD1-CB 3.42Å; D63-S67 WeakPolarHBondContact OD2-CB 3.42Å; D63-S67 PolarHBondContact OD2-OG 3.33Å; S67-W110 VanDerWaalsContact C-NE1 3.35Å
68P97.4Very high96.9Very high21 Ų2145 Ų4514%0.13624%0.24CC..PPolyproline II helixtrans-68.7155.8178.725.1-30.2000111.8P61 L93 W110P61-P68 WeakPolarHBondContact CD-O 3.25Å; P68-L93 VanDerWaalsContact CG-O 3.26Å; P68-L93 WeakPolarHBondContact CG-O 3.36Å; P68-W110 HydrophobicContact CB-CB 3.82Å; P68-W110 HydrophobicContact CB-CD2 3.53Å; P68-W110 HydrophobicContact CB-CE3 3.86Å; P68-W110 HydrophobicContact CB-CG 3.52Å; P68-W110 VanDerWaalsContact CD-CD1 3.47Å; P68-W110 HydrophobicContact CG-CB 3.88Å; P68-W110 HydrophobicContact CG-CD2 4.41Å; P68-W110 HydrophobicContact CG-CG 3.89Å
69P98.2Very high96.8Very high3 Ų345 Ų452%0.01924%0.24CC..PPolyproline II helixtrans-67160.8163.730.3-32.5000111.3L58 N59 F60 L93 I119L58-P69 HydrophobicContact CD2-CG 4.44Å; N59-P69 CarbonylContact O-C 3.53Å; N59-P69 VanDerWaalsContact O-CA 3.22Å; N59-P69 WeakPolarHBondContact O-CA 3.45Å; N59-P69 WeakPolarHBondContact O-CB 3.4Å; F60-P69 HydrophobicContact CD1-CB 3.64Å; F60-P69 HydrophobicContact CD1-CG 4.13Å; F60-P69 HydrophobicContact CE1-CB 3.78Å; F60-P69 HydrophobicContact CE1-CG 3.89Å; F60-P69 HydrophobicContact CG-CB 4.18Å; F60-P69 HydrophobicContact CZ-CB 4.39Å; P69-L93 HydrophobicContact CG-CD2 4.18Å; P69-L93 WeakPolarHBondContact O-CD2 3.49Å; P69-I119 HydrophobicContact CG-CD1 3.41Å; P69-I119 VanDerWaalsContact CG-CD1 3.41Å
70K98.1Very high96.7Very high168 Ų16842 Ų4273%0.7322%0.223SC*.EExtended strand (participates in β ladder)trans-93.7137.1163.5-66.8177.3-179.61780109.2L58 N59L58-K70 CarbonylContact C-O 3.42Å; L58-K70 WeakPolarHBondContact CA-O 3.32Å; N59-K70 PolarHBondContact N-O 3.22Å; N59-K70 PolarHBondContact O-N 3.02Å
71M98.2Very high96.6Very high6 Ų641.7 Ų41.73%0.0322%0.222CC..EExtended strand (participates in β ladder)trans-119.5138178.8-174.3173.1168.900111.4I41 V56 R57 L58 V88 L93 I119 L120 V123I41-M71 HydrophobicContact CD1-CE 3.83Å; V56-M71 HydrophobicContact CB-CE 3.64Å; V56-M71 HydrophobicContact CB-CG 4.48Å; V56-M71 HydrophobicContact CG1-CE 3.54Å; V56-M71 HydrophobicContact CG2-CE 3.6Å; R57-M71 WeakPolarHBondContact O-CA 3.42Å; L58-M71 HydrophobicContact CG-CG 4.39Å; M71-V88 HydrophobicContact CB-CB 4.27Å; M71-V88 HydrophobicContact CB-CG2 4.13Å; M71-V88 HydrophobicContact CE-CG2 4.34Å; M71-V88 HydrophobicContact CG-CB 4.4Å; M71-V88 HydrophobicContact CG-CG2 3.79Å; M71-V88 PolarHBondContact O-N 3.21Å; M71-V88 HydrophobicContact SD-CG2 4.19Å; M71-L93 HydrophobicContact CB-CD1 3.79Å; M71-I119 HydrophobicContact SD-CG2 3.98Å; M71-L120 HydrophobicContact CE-CD2 4.4Å; M71-V123 HydrophobicContact CE-CB 4.09Å; M71-V123 HydrophobicContact CE-CG1 3.82Å; M71-V123 HydrophobicContact CE-CG2 3.49Å; M71-V123 VanDerWaalsContact CE-CG2 3.49Å; M71-V123 HydrophobicContact SD-CG2 3.53Å; M71-V123 VanDerWaalsContact SD-CG2 3.53Å
72Q98.2Very high96.6Very high76 Ų7640 Ų4036%0.35521%0.211SC..EExtended strand (participates in β ladder)trans-142133179.9-175179.77.300110.9V56 R57 D85 G86V56-Q72 CarbonylContact C-O 3.26Å; V56-Q72 VanDerWaalsContact CA-O 3.25Å; V56-Q72 WeakPolarHBondContact CA-O 3.47Å; R57-Q72 PolarHBondContact N-O 3.22Å; R57-Q72 PolarHBondContact O-N 3.12Å; Q72-D85 PolarHBondContact NE2-O 3.4Å; Q72-G86 CarbonylContact C-O 3.47Å; Q72-G86 VanDerWaalsContact CA-O 3.29Å; Q72-G86 WeakPolarHBondContact CA-O 3.43Å
73F98.2Very high96.7Very high4 Ų439.7 Ų39.72%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-71.1135.2167.5-76.7-99.9000110.5F54 V56 T75 V77 I82 G86 V88 V123 M126F54-F73 HydrophobicContact CB-CD1 3.82Å; F54-F73 HydrophobicContact CB-CE1 3.52Å; F54-F73 HydrophobicContact CD1-CE1 4.45Å; F54-F73 HydrophobicContact CG-CD1 4.43Å; F54-F73 AromaticContact CG-CE1 4Å; F54-F73 HydrophobicContact CG-CE1 4Å; V56-F73 HydrophobicContact CG1-CB 4.48Å; V56-F73 HydrophobicContact CG1-CD1 3.55Å; V56-F73 HydrophobicContact CG1-CD2 4.05Å; V56-F73 HydrophobicContact CG1-CE1 3.67Å; V56-F73 HydrophobicContact CG1-CE2 4.13Å; V56-F73 HydrophobicContact CG1-CG 3.77Å; V56-F73 HydrophobicContact CG1-CZ 3.95Å; F73-T75 VanDerWaalsContact C-N 3.34Å; F73-V77 HydrophobicContact CB-CG2 4.26Å; F73-V77 HydrophobicContact CD1-CB 4.4Å; F73-V77 HydrophobicContact CD1-CG2 3.53Å; F73-V77 HydrophobicContact CE1-CG2 4.06Å; F73-V77 HydrophobicContact CG-CG2 4.01Å; F73-I82 HydrophobicContact CD2-CD1 3.62Å; F73-I82 HydrophobicContact CD2-CG1 4.13Å; F73-I82 HydrophobicContact CD2-CG2 4.13Å; F73-I82 HydrophobicContact CE1-CD1 4.34Å; F73-I82 HydrophobicContact CE2-CD1 3.31Å; F73-I82 HydrophobicContact CE2-CG1 3.92Å; F73-I82 HydrophobicContact CG-CD1 4.28Å; F73-I82 HydrophobicContact CZ-CD1 3.71Å; F73-G86 PolarHBondContact N-O 2.83Å; F73-V88 HydrophobicContact CD2-CG2 3.59Å; F73-V88 HydrophobicContact CE2-CG2 3.49Å; F73-V88 VanDerWaalsContact CE2-CG2 3.49Å; F73-V123 HydrophobicContact CE2-CG1 4.28Å; F73-V123 HydrophobicContact CZ-CG1 3.82Å; F73-M126 HydrophobicContact CE2-CE 4.43Å
74L96.8Very high96.6Very high77 Ų7743 Ų4340%0.40322%0.222SC..SBendtrans-84-13.1-179.7-62.3-176.6000112.9E38 A55 R57E38-L74 HydrophobicContact CG-CD1 4.3Å; A55-L74 HydrophobicContact CB-CB 4.2Å; A55-L74 HydrophobicContact CB-CD1 4.1Å; A55-L74 HydrophobicContact CB-CG 4.46Å; A55-L74 PolarHBondContact O-N 2.82Å; R57-L74 HydrophobicContact CB-CD2 3.87Å; R57-L74 HydrophobicContact CB-CG 4.4Å
75T92.8Very high96.5Very high41 Ų4146.4 Ų46.425%0.25224%0.24SC..SBendtrans-122159.5175.158.10000110.7F73 V77F73-T75 VanDerWaalsContact C-N 3.34Å; T75-V77 PolarHBondContact O-N 2.85Å
76E93.4Very high96.5Very high102 Ų10245.6 Ų45.648%0.47724%0.236SC..  trans-64.1119.1176.5-173.3-175.1135.500111.2R157 S158E76-R157 IonicContact OE1-CZ 2.78Å; E76-R157 IonicContact OE1-NH1 3.96Å; E76-R157 PolarHBondContact OE1-NH1 3.19Å; E76-R157 IonicContact OE1-NH2 2.8Å; E76-S158 PolarHBondContact O-OG 3.36Å
77V96.5Very high96.6Very high10 Ų1046.8 Ų46.86%0.06123%0.234CC..  trans-122.7120.6174.6-174.80000109.6F49 F54 F73 T75 H79 I82 S158F49-V77 HydrophobicContact CD1-CG1 4.48Å; F49-V77 HydrophobicContact CE1-CG1 3.86Å; F54-V77 HydrophobicContact CD1-CG2 3.71Å; F54-V77 HydrophobicContact CE1-CG2 4.08Å; F73-V77 HydrophobicContact CB-CG2 4.26Å; F73-V77 HydrophobicContact CD1-CB 4.4Å; F73-V77 HydrophobicContact CD1-CG2 3.53Å; F73-V77 HydrophobicContact CE1-CG2 4.06Å; F73-V77 HydrophobicContact CG-CG2 4.01Å; T75-V77 PolarHBondContact O-N 2.85Å; V77-H79 HydrophobicContact CG1-CB 4.25Å; V77-H79 PolarHBondContact O-N 3.48Å; V77-I82 HydrophobicContact CB-CD1 3.83Å; V77-I82 HydrophobicContact CG1-CD1 3.62Å; V77-S158 WeakPolarHBondContact CA-OG 3.36Å
78F96.9Very high96.6Very high33 Ų3345.5 Ų45.515%0.14522%0.224CC..  trans-83.396.9177.6-170.3-100.5000110.4A140 T143 F151 L154 S158F78-A140 HydrophobicContact CD1-CB 4.13Å; F78-A140 HydrophobicContact CD2-CB 4.34Å; F78-A140 HydrophobicContact CE1-CB 3.78Å; F78-A140 HydrophobicContact CE2-CB 4Å; F78-A140 HydrophobicContact CG-CB 4.41Å; F78-A140 HydrophobicContact CZ-CB 3.72Å; F78-T143 HydrophobicContact CE1-CG2 4.41Å; F78-F151 HydrophobicContact CD1-CD2 4.22Å; F78-F151 HydrophobicContact CD1-CE2 4.18Å; F78-F151 AromaticContact CE1-CD2 3.96Å; F78-F151 HydrophobicContact CE1-CD2 3.96Å; F78-F151 HydrophobicContact CE1-CE2 4.24Å; F78-L154 HydrophobicContact CB-CB 4.31Å; F78-L154 HydrophobicContact CD1-CB 3.61Å; F78-L154 HydrophobicContact CD1-CD1 3.94Å; F78-L154 HydrophobicContact CD1-CG 4.42Å; F78-L154 HydrophobicContact CE1-CB 4.05Å; F78-L154 HydrophobicContact CE1-CD1 3.51Å; F78-L154 HydrophobicContact CE1-CG 4.43Å; F78-L154 HydrophobicContact CE2-CD1 4.14Å; F78-L154 HydrophobicContact CG-CB 3.96Å; F78-L154 HydrophobicContact CG-CD1 4.41Å; F78-L154 HydrophobicContact CZ-CD1 3.61Å; F78-S158 PolarHBondContact N-OG 2.92Å
79H97.2Very high96.4Very high0 Ų045.5 Ų45.50%022%0.224CC..  trans-148.3141.2-174.9-168.5-90.4000112.4F49 V77 N81 I82 M126 N137 A140F49-H79 AromaticContact CE2-CD2 3.71Å; F49-H79 HydrophobicContact CZ-CB 4.42Å; F49-H79 AromaticContact CZ-CD2 3.71Å; V77-H79 HydrophobicContact CG1-CB 4.25Å; V77-H79 PolarHBondContact O-N 3.48Å; H79-N81 VanDerWaalsContact C-N 3.27Å; H79-N81 PolarHBondContact CE1-OD1 3.29Å; H79-N81 VanDerWaalsContact CE1-OD1 3.29Å; H79-N81 PolarHBondContact ND1-N 2.96Å; H79-N81 PolarHBondContact O-N 3.42Å; H79-I82 HydrophobicContact CB-CB 4Å; H79-I82 HydrophobicContact CB-CD1 3.58Å; H79-I82 HydrophobicContact CB-CG1 3.77Å; H79-I82 PolarHBondContact O-N 3.48Å; H79-I82 VanDerWaalsContact O-N 3.16Å; H79-M126 VanDerWaalsContact CE1-CG 3.48Å; H79-M126 WeakPolarHBondContact CE1-CG 3.41Å; H79-M126 PolarHBondContact CE1-O 2.9Å; H79-M126 PolarHBondContact NE2-O 2.91Å; H79-N137 WeakPolarHBondContact O-CB 3.47Å; H79-A140 VanDerWaalsContact C-CB 3.47Å
80P96.9Very high96.2Very high0 Ų046.3 Ų46.30%023%0.228CC..THydrogen-bonded Turntrans-54.4-37.4179-30.439000114.5P130 A135 A136 N137 A140 A141 W144 F151P80-P130 HydrophobicContact CB-CB 4.43Å; P80-P130 HydrophobicContact CG-CB 3.75Å; P80-A135 CarbonylContact O-C 3.57Å; P80-A135 WeakPolarHBondContact O-CA 3.4Å; P80-A136 PolarHBondContact O-N 2.96Å; P80-N137 PolarHBondContact O-N 2.8Å; P80-A140 HydrophobicContact CG-CB 4.26Å; P80-A141 HydrophobicContact CB-CB 4.12Å; P80-A141 HydrophobicContact CG-CB 4.49Å; P80-W144 HydrophobicContact CG-CB 4.3Å; P80-F151 HydrophobicContact CG-CE2 4.36Å
81N96.2Very high95.9Very high7 Ų740 Ų404%0.03721%0.206CC..THydrogen-bonded Turntrans-9712.4-177.8-53108.1000114.6H79 C89 I90 M126 N131H79-N81 VanDerWaalsContact C-N 3.27Å; H79-N81 PolarHBondContact CE1-OD1 3.29Å; H79-N81 VanDerWaalsContact CE1-OD1 3.29Å; H79-N81 PolarHBondContact ND1-N 2.96Å; H79-N81 PolarHBondContact O-N 3.42Å; N81-C89 PolarHBondContact O-N 3.02Å; N81-I90 HydrophobicContact CB-CG2 4.41Å; N81-M126 HydrophobicContact CB-CG 3.92Å; N81-M126 HydrophobicContact CB-SD 3.61Å; N81-N131 PolarHBondContact ND2-O 3.19Å; N81-N131 PolarHBondContact OD1-N 2.88Å; N81-N131 PolarHBondContact OD1-O 3.02Å
82I97.1Very high95.7Very high0 Ų040.2 Ų40.20%021%0.207CC..BIsolated β-bridgetrans-119.4121.7175.8-57.4172.9000108.5F73 V77 H79 R87 M126 N137F73-I82 HydrophobicContact CD2-CD1 3.62Å; F73-I82 HydrophobicContact CD2-CG1 4.13Å; F73-I82 HydrophobicContact CD2-CG2 4.13Å; F73-I82 HydrophobicContact CE1-CD1 4.34Å; F73-I82 HydrophobicContact CE2-CD1 3.31Å; F73-I82 HydrophobicContact CE2-CG1 3.92Å; F73-I82 HydrophobicContact CG-CD1 4.28Å; F73-I82 HydrophobicContact CZ-CD1 3.71Å; V77-I82 HydrophobicContact CB-CD1 3.83Å; V77-I82 HydrophobicContact CG1-CD1 3.62Å; H79-I82 HydrophobicContact CB-CB 4Å; H79-I82 HydrophobicContact CB-CD1 3.58Å; H79-I82 HydrophobicContact CB-CG1 3.77Å; H79-I82 PolarHBondContact O-N 3.48Å; H79-I82 VanDerWaalsContact O-N 3.16Å; I82-R87 WeakPolarHBondContact CA-O 3.35Å; I82-M126 HydrophobicContact CD1-CE 3.9Å; I82-M126 HydrophobicContact CG1-CE 3.94Å; I82-N137 VanDerWaalsContact O-CB 3.32Å; I82-N137 WeakPolarHBondContact O-CB 3.22Å
83Y96.3Very high95.6Very high79 Ų7937.5 Ų37.531%0.3120%0.195SC..  trans-63156.7175.2-73-81.5000110.8D85 G86 R87 C89 A136Y83-D85 WeakPolarHBondContact CB-OD1 3.33Å; Y83-D85 PolarHBondContact O-N 3.14Å; Y83-G86 WeakPolarHBondContact O-CA 3.41Å; Y83-G86 PolarHBondContact O-N 3.31Å; Y83-R87 HydrophobicContact CD2-CB 3.73Å; Y83-R87 WeakPolarHBondContact CD2-O 3.25Å; Y83-R87 HydrophobicContact CG-CB 4.36Å; Y83-R87 PolarHBondContact N-O 3.06Å; Y83-C89 HydrophobicContact CD2-CB 4.34Å; Y83-C89 HydrophobicContact CE2-CB 3.69Å; Y83-A136 HydrophobicContact CD1-CB 3.88Å; Y83-A136 WeakPolarHBondContact CD1-O 3.33Å; Y83-A136 HydrophobicContact CD2-CB 3.74Å; Y83-A136 HydrophobicContact CE1-CB 3.84Å; Y83-A136 HydrophobicContact CE2-CB 3.7Å; Y83-A136 HydrophobicContact CG-CB 3.82Å
84P93.8Very high95.3Very high115 Ų11539.7 Ų39.775%0.74721%0.205SC*.THydrogen-bonded Turntrans-56.4-22.3176.1-27.435.9000114.9G86P84-G86 VanDerWaalsContact C-N 3.32Å
85D95.4Very high95.1Very high74 Ų7438.9 Ų38.940%0.39621%0.21SC..THydrogen-bonded Turntrans-86.92.2174.665.111.5000113.9Q72 Y83 R87Q72-D85 PolarHBondContact NE2-O 3.4Å; Y83-D85 WeakPolarHBondContact CB-OD1 3.33Å; Y83-D85 PolarHBondContact O-N 3.14Å; D85-R87 VanDerWaalsContact CG-NE 3.35Å; D85-R87 WeakPolarHBondContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CG 3.46Å; D85-R87 IonicContact OD1-CZ 2.77Å; D85-R87 PolarHBondContact OD1-N 2.84Å; D85-R87 IonicContact OD1-NE 3.14Å; D85-R87 PolarHBondContact OD1-NE 3.26Å; D85-R87 IonicContact OD1-NH2 2.9Å; D85-R87 IonicContact OD2-CZ 3.8Å; D85-R87 IonicContact OD2-NE 2.73Å; D85-R87 PolarHBondContact OD2-NE 2.65Å; D85-R87 IonicContact OD2-NH2 3.94Å; D85-R87 PolarHBondContact OD2-NH2 3.14Å
86G97.1Very high94.8Very high6 Ų640.2 Ų40.26%0.06222%0.219CC..SBendtrans91.1-7179.200000114.8Q72 F73 Y83 P84 V88Q72-G86 CarbonylContact C-O 3.47Å; Q72-G86 VanDerWaalsContact CA-O 3.29Å; Q72-G86 WeakPolarHBondContact CA-O 3.43Å; F73-G86 PolarHBondContact N-O 2.83Å; Y83-G86 WeakPolarHBondContact O-CA 3.41Å; Y83-G86 PolarHBondContact O-N 3.31Å; P84-G86 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.21Å
87R97.4Very high94.4Very high120 Ų12037.2 Ų37.245%0.45322%0.216SC..BIsolated β-bridgetrans-61.4139.5178.1-73.8-179.2-68.8135.41.7111.1I82 Y83 D85I82-R87 WeakPolarHBondContact CA-O 3.35Å; Y83-R87 HydrophobicContact CD2-CB 3.73Å; Y83-R87 WeakPolarHBondContact CD2-O 3.25Å; Y83-R87 HydrophobicContact CG-CB 4.36Å; Y83-R87 PolarHBondContact N-O 3.06Å; D85-R87 VanDerWaalsContact CG-NE 3.35Å; D85-R87 WeakPolarHBondContact OD1-CB 3.28Å; D85-R87 WeakPolarHBondContact OD1-CG 3.46Å; D85-R87 IonicContact OD1-CZ 2.77Å; D85-R87 PolarHBondContact OD1-N 2.84Å; D85-R87 IonicContact OD1-NE 3.14Å; D85-R87 PolarHBondContact OD1-NE 3.26Å; D85-R87 IonicContact OD1-NH2 2.9Å; D85-R87 IonicContact OD2-CZ 3.8Å; D85-R87 IonicContact OD2-NE 2.73Å; D85-R87 PolarHBondContact OD2-NE 2.65Å; D85-R87 IonicContact OD2-NH2 3.94Å; D85-R87 PolarHBondContact OD2-NH2 3.14Å
88V96.4Very high93.6Very high14 Ų1443.1 Ų43.19%0.08525%0.247CC..BIsolated β-bridgetrans-93.6135.2179.7-171.40000110.4M71 F73 G86 I90 L93 V123 M126M71-V88 HydrophobicContact CB-CB 4.27Å; M71-V88 HydrophobicContact CB-CG2 4.13Å; M71-V88 HydrophobicContact CE-CG2 4.34Å; M71-V88 HydrophobicContact CG-CB 4.4Å; M71-V88 HydrophobicContact CG-CG2 3.79Å; M71-V88 PolarHBondContact O-N 3.21Å; M71-V88 HydrophobicContact SD-CG2 4.19Å; F73-V88 HydrophobicContact CD2-CG2 3.59Å; F73-V88 HydrophobicContact CE2-CG2 3.49Å; F73-V88 VanDerWaalsContact CE2-CG2 3.49Å; G86-V88 PolarHBondContact O-N 3.21Å; V88-I90 HydrophobicContact CG1-CD1 4.22Å; V88-I90 HydrophobicContact CG1-CG1 4.01Å; V88-I90 HydrophobicContact CG1-CG2 4.28Å; V88-L93 HydrophobicContact CB-CD1 4.08Å; V88-L93 HydrophobicContact CG1-CD1 4.19Å; V88-V123 HydrophobicContact CG1-CG2 4.43Å; V88-M126 HydrophobicContact CG1-CE 4.5Å; V88-M126 HydrophobicContact CG1-SD 3.86Å
89C93.5Very high92.8Very high20 Ų2042.7 Ų42.714%0.13525%0.246CC..  trans-122.288.2-179.2-164.10000110N81 Y83 A136N81-C89 PolarHBondContact O-N 3.02Å; Y83-C89 HydrophobicContact CD2-CB 4.34Å; Y83-C89 HydrophobicContact CE2-CB 3.69Å; C89-A136 HydrophobicContact CB-CB 3.7Å
90I92.8Very high91.9Very high20 Ų2047.9 Ų47.910%0.10328%0.28CS..  trans-135.5147.417654.8175.1000109.2N81 V88 I92 L93 V123 M126N81-I90 HydrophobicContact CB-CG2 4.41Å; V88-I90 HydrophobicContact CG1-CD1 4.22Å; V88-I90 HydrophobicContact CG1-CG1 4.01Å; V88-I90 HydrophobicContact CG1-CG2 4.28Å; I90-I92 VanDerWaalsContact C-N 3.26Å; I90-I92 HydrophobicContact CD1-CG2 3.57Å; I90-I92 HydrophobicContact CG1-CG2 3.82Å; I90-I92 PolarHBondContact O-N 3.43Å; I90-I92 VanDerWaalsContact O-N 3.14Å; I90-L93 HydrophobicContact CD1-CD1 4.25Å; I90-L93 HydrophobicContact CD1-CG 4.46Å; I90-L93 HydrophobicContact CG1-CB 4.43Å; I90-L93 HydrophobicContact CG1-CD1 3.83Å; I90-L93 HydrophobicContact CG1-CG 4Å; I90-L93 PolarHBondContact O-N 3.29Å; I90-V123 HydrophobicContact CD1-CG2 3.89Å; I90-M126 HydrophobicContact CG2-CB 4.21Å; I90-M126 HydrophobicContact CG2-CG 3.82Å; I90-M126 HydrophobicContact CG2-SD 3.52Å; I90-M126 VanDerWaalsContact CG2-SD 3.52Å
91S92.7Very high91.1Very high37 Ų3754.2 Ų54.226%0.25931%0.311SS..G310 helixtrans-50.6-41.4-173.2540000113.7L93 H94 E104 E108 R109S91-L93 PolarHBondContact O-N 3.42Å; S91-H94 WeakPolarHBondContact O-CB 3.28Å; S91-H94 PolarHBondContact O-N 3.17Å; S91-E104 WeakPolarHBondContact CA-OE1 3.36Å; S91-E104 VanDerWaalsContact CB-OE1 3.25Å; S91-E104 WeakPolarHBondContact CB-OE1 3.44Å; S91-E108 CarbonylContact C-O 3.34Å; S91-E108 VanDerWaalsContact C-O 3.26Å; S91-E108 WeakPolarHBondContact CB-O 3.44Å; S91-E108 PolarHBondContact OG-O 2.77Å; S91-R109 WeakPolarHBondContact O-CA 3.45Å
92I93.9Very high90.3Very high9 Ų956.8 Ų56.85%0.04634%0.339CS..G310 helixtrans-59.9-22179.1-164.6172000113.3I90 E108 W110 Q114 K118 I119I90-I92 VanDerWaalsContact C-N 3.26Å; I90-I92 HydrophobicContact CD1-CG2 3.57Å; I90-I92 HydrophobicContact CG1-CG2 3.82Å; I90-I92 PolarHBondContact O-N 3.43Å; I90-I92 VanDerWaalsContact O-N 3.14Å; I92-E108 WeakPolarHBondContact CA-O 3.37Å; I92-E108 PolarHBondContact N-O 3.14Å; I92-W110 HydrophobicContact CG1-CE3 4.49Å; I92-W110 WeakPolarHBondContact O-CB 3.07Å; I92-W110 VanDerWaalsContact O-CE3 3.3Å; I92-Q114 HydrophobicContact CD1-CB 4.36Å; I92-Q114 HydrophobicContact CD1-CG 4.16Å; I92-Q114 HydrophobicContact CG1-CB 4.42Å; I92-Q114 HydrophobicContact CG1-CG 4Å; I92-K118 HydrophobicContact CD1-CB 4.05Å; I92-I119 HydrophobicContact CD1-CG1 4.25Å; I92-I119 HydrophobicContact CG1-CG1 4.42Å
93L95.4Very high89.3Confident20 Ų2065.1 Ų65.111%0.10537%0.372CS..G310 helixtrans-95.9-3.5176.2-64.9174.2000113.2P68 P69 M71 V88 I90 S91 I119P68-L93 VanDerWaalsContact CG-O 3.26Å; P68-L93 WeakPolarHBondContact CG-O 3.36Å; P69-L93 HydrophobicContact CG-CD2 4.18Å; P69-L93 WeakPolarHBondContact O-CD2 3.49Å; M71-L93 HydrophobicContact CB-CD1 3.79Å; V88-L93 HydrophobicContact CB-CD1 4.08Å; V88-L93 HydrophobicContact CG1-CD1 4.19Å; I90-L93 HydrophobicContact CD1-CD1 4.25Å; I90-L93 HydrophobicContact CD1-CG 4.46Å; I90-L93 HydrophobicContact CG1-CB 4.43Å; I90-L93 HydrophobicContact CG1-CD1 3.83Å; I90-L93 HydrophobicContact CG1-CG 4Å; I90-L93 PolarHBondContact O-N 3.29Å; S91-L93 PolarHBondContact O-N 3.42Å; L93-I119 HydrophobicContact CD2-CD1 4.05Å; L93-I119 HydrophobicContact CD2-CG1 4.08Å; L93-I119 HydrophobicContact CD2-CG2 3.88Å; L93-I119 HydrophobicContact CG-CG2 4.47Å
94H93.4Very high88.5Confident49 Ų4963.1 Ų63.123%0.22737%0.365CS..SBendtrans-78.5145.8175-62.9166.7000110.8S91 E104 R109 W110S91-H94 WeakPolarHBondContact O-CB 3.28Å; S91-H94 PolarHBondContact O-N 3.17Å; H94-E104 IonicContact CE1-OE1 2.74Å; H94-E104 PolarHBondContact CE1-OE1 3.13Å; H94-E104 IonicContact CE1-OE2 3.46Å; H94-E104 IonicContact CG-OE2 3.26Å; H94-E104 VanDerWaalsContact ND1-CD 3.27Å; H94-E104 IonicContact ND1-OE1 3.16Å; H94-E104 PolarHBondContact ND1-OE1 3.24Å; H94-E104 IonicContact ND1-OE2 2.72Å; H94-E104 PolarHBondContact ND1-OE2 2.9Å; H94-R109 HydrophobicContact CB-CG 4.32Å; H94-W110 WeakPolarHBondContact O-CB 3.45Å; H94-W110 PolarHBondContact O-N 2.69Å; H94-W110 VanDerWaalsContact O-N 3.09Å
95A91.1Very high87.9Confident61 Ų6160.3 Ų60.350%0.50435%0.348SS..PPolyproline II helixtrans-55.2148.4-178.500000111.8
96P87.1Confident87Confident68 Ų6859.6 Ų59.644%0.44235%0.349SS..SBendtrans-61.2151.6178.125.9-34.8000111.7W110P96-W110 WeakPolarHBondContact CB-O 3.4Å
97G85.2Confident86.2Confident40 Ų4064.7 Ų64.741%0.41238%0.379SS..SBendtrans113.2-176.2178.900000112.6R109G97-R109 VanDerWaalsContact O-CD 3.26Å; G97-R109 WeakPolarHBondContact O-CD 3.47Å
98D80Confident85.6Confident134 Ų13463.6 Ų63.672%0.71738%0.379SS*.  trans-70.7141.8-179.9-60.8-38.1000110.8P100 R109D98-P100 VanDerWaalsContact O-CD 3.25Å; D98-P100 WeakPolarHBondContact O-CD 3.37Å; D98-R109 PolarHBondContact O-NH1 2.91Å
99D79.8Confident85.4Confident23 Ų2364 Ų6412%0.12338%0.379CS..  trans-64.4118.4171.5-175.815.5000110.6M101 G102 Y103 E104 R109D99-M101 PolarHBondContact O-N 3.41Å; D99-M101 PolarHBondContact OD1-N 3.05Å; D99-M101 VanDerWaalsContact OD1-N 3.12Å; D99-G102 PolarHBondContact O-N 3.39Å; D99-G102 PolarHBondContact OD2-N 2.93Å; D99-Y103 WeakPolarHBondContact OD2-CB 3.26Å; D99-Y103 PolarHBondContact OD2-N 2.93Å; D99-E104 HydrophobicContact CB-CB 4.22Å; D99-E104 PolarHBondContact OD2-N 2.8Å; D99-R109 VanDerWaalsContact CA-NH1 3.29Å; D99-R109 VanDerWaalsContact CB-CZ 3.46Å; D99-R109 VanDerWaalsContact CB-NH2 3.25Å; D99-R109 IonicContact OD1-CZ 3.41Å; D99-R109 IonicContact OD1-NH2 3.38Å; D99-R109 PolarHBondContact OD1-NH2 3.4Å; D99-R109 IonicContact OD2-NH2 2.68Å
100P78.5Confident85.5Confident110 Ų11063.1 Ų63.171%0.71437%0.373SS*.THydrogen-bonded Turntrans-54.2-27.8175-26.335.6000112.8D98D98-P100 VanDerWaalsContact O-CD 3.25Å; D98-P100 WeakPolarHBondContact O-CD 3.37Å
101M80.7Confident85.6Confident132 Ų13263.8 Ų63.865%0.6538%0.379SS*.THydrogen-bonded Turntrans-95.1-10.7-179.9-59.6-64105.700113.8D99 Y103D99-M101 PolarHBondContact O-N 3.41Å; D99-M101 PolarHBondContact OD1-N 3.05Å; D99-M101 VanDerWaalsContact OD1-N 3.12Å; M101-Y103 VanDerWaalsContact C-N 3.29Å; M101-Y103 HydrophobicContact CB-CD2 3.36Å; M101-Y103 HydrophobicContact CB-CE2 3.46Å; M101-Y103 VanDerWaalsContact CB-CE2 3.46Å; M101-Y103 HydrophobicContact CB-CG 4.43Å; M101-Y103 HydrophobicContact CG-CD2 4.34Å; M101-Y103 HydrophobicContact CG-CE2 4.2Å; M101-Y103 PolarHBondContact O-N 3.27Å
102G78.1Confident85.7Confident62 Ų6264.8 Ų64.864%0.63939%0.385SS*.SBendtrans69.316.8178.400000115.8D99D99-G102 PolarHBondContact O-N 3.39Å; D99-G102 PolarHBondContact OD2-N 2.93Å
103Y76.5Confident85.7Confident175 Ų17569.7 Ų69.769%0.68642%0.415SS*.SBendtrans-80.3-30.2176.6-64.2-64.2000112.3D99 M101D99-Y103 WeakPolarHBondContact OD2-CB 3.26Å; D99-Y103 PolarHBondContact OD2-N 2.93Å; M101-Y103 VanDerWaalsContact C-N 3.29Å; M101-Y103 HydrophobicContact CB-CD2 3.36Å; M101-Y103 HydrophobicContact CB-CE2 3.46Å; M101-Y103 VanDerWaalsContact CB-CE2 3.46Å; M101-Y103 HydrophobicContact CB-CG 4.43Å; M101-Y103 HydrophobicContact CG-CD2 4.34Å; M101-Y103 HydrophobicContact CG-CE2 4.2Å; M101-Y103 PolarHBondContact O-N 3.27Å
104E80.3Confident85.8Confident36 Ų3670 Ų7017%0.16842%0.416CS..SBendtrans-115.5143.4-174.9-58171.3144.200111.6S91 H94 D99 R109S91-E104 WeakPolarHBondContact CA-OE1 3.36Å; S91-E104 VanDerWaalsContact CB-OE1 3.25Å; S91-E104 WeakPolarHBondContact CB-OE1 3.44Å; H94-E104 IonicContact CE1-OE1 2.74Å; H94-E104 PolarHBondContact CE1-OE1 3.13Å; H94-E104 IonicContact CE1-OE2 3.46Å; H94-E104 IonicContact CG-OE2 3.26Å; H94-E104 VanDerWaalsContact ND1-CD 3.27Å; H94-E104 IonicContact ND1-OE1 3.16Å; H94-E104 PolarHBondContact ND1-OE1 3.24Å; H94-E104 IonicContact ND1-OE2 2.72Å; H94-E104 PolarHBondContact ND1-OE2 2.9Å; D99-E104 HydrophobicContact CB-CB 4.22Å; D99-E104 PolarHBondContact OD2-N 2.8Å; E104-R109 IonicContact OE2-CZ 3.78Å; E104-R109 VanDerWaalsContact OE2-CZ 3.28Å; E104-R109 IonicContact OE2-NE 2.82Å; E104-R109 PolarHBondContact OE2-NE 3.22Å; E104-R109 IonicContact OE2-NH2 3.13Å; E104-R109 PolarHBondContact OE2-NH2 3.24Å
105S80Confident85.9Confident56 Ų5668.6 Ų68.639%0.39241%0.411SS..  trans-76.8146.1169.4-176.10000110.6V107 E108S105-V107 PolarHBondContact O-N 2.93Å; S105-V107 WeakPolarHBondContact OG-CG2 3.13Å; S105-E108 PolarHBondContact N-OE2 2.9Å; S105-E108 WeakPolarHBondContact O-CB 3.33Å; S105-E108 PolarHBondContact O-N 3.44Å
106S76.8Confident86.2Confident59 Ų5965.7 Ų65.741%0.41339%0.387SS..THydrogen-bonded Turntrans-60.5-19.7176.756.40000113.4E108S106-E108 VanDerWaalsContact C-N 3.34Å
107V80.6Confident86.7Confident113 Ų11365.6 Ų65.669%0.68538%0.381SS*.THydrogen-bonded Turntrans-74.6-23.2174-53.40000113.5S105S105-V107 PolarHBondContact O-N 2.93Å; S105-V107 WeakPolarHBondContact OG-CG2 3.13Å
108E85.2Confident87.3Confident98 Ų9868 Ų6846%0.45838%0.38SS..THydrogen-bonded Turntrans-84.3-18.8177.8-61.6170.7152.200111.3S91 I92 S105 S106S91-E108 CarbonylContact C-O 3.34Å; S91-E108 VanDerWaalsContact C-O 3.26Å; S91-E108 WeakPolarHBondContact CB-O 3.44Å; S91-E108 PolarHBondContact OG-O 2.77Å; I92-E108 WeakPolarHBondContact CA-O 3.37Å; I92-E108 PolarHBondContact N-O 3.14Å; S105-E108 PolarHBondContact N-OE2 2.9Å; S105-E108 WeakPolarHBondContact O-CB 3.33Å; S105-E108 PolarHBondContact O-N 3.44Å; S106-E108 VanDerWaalsContact C-N 3.34Å
109R92Very high88.1Confident21 Ų2161.6 Ų61.68%0.07935%0.346CS..SBendtrans-80.6170.6-179.3-68.5-172156.4-158.4-2.1113.2S91 H94 G97 D98 D99 E104 S111S91-R109 WeakPolarHBondContact O-CA 3.45Å; H94-R109 HydrophobicContact CB-CG 4.32Å; G97-R109 VanDerWaalsContact O-CD 3.26Å; G97-R109 WeakPolarHBondContact O-CD 3.47Å; D98-R109 PolarHBondContact O-NH1 2.91Å; D99-R109 VanDerWaalsContact CA-NH1 3.29Å; D99-R109 VanDerWaalsContact CB-CZ 3.46Å; D99-R109 VanDerWaalsContact CB-NH2 3.25Å; D99-R109 IonicContact OD1-CZ 3.41Å; D99-R109 IonicContact OD1-NH2 3.38Å; D99-R109 PolarHBondContact OD1-NH2 3.4Å; D99-R109 IonicContact OD2-NH2 2.68Å; E104-R109 IonicContact OE2-CZ 3.78Å; E104-R109 VanDerWaalsContact OE2-CZ 3.28Å; E104-R109 IonicContact OE2-NE 2.82Å; E104-R109 PolarHBondContact OE2-NE 3.22Å; E104-R109 IonicContact OE2-NH2 3.13Å; E104-R109 PolarHBondContact OE2-NH2 3.24Å; R109-S111 PolarHBondContact O-N 3.16Å
110W95.9Very high88.9Confident3 Ų360.5 Ų60.51%0.01134%0.34CS..  trans-56.7138176.6-178.3-102.5000111.4Y64 P65 S67 P68 I92 H94 P96 Q114 I119Y64-W110 HydrophobicContact CD2-CZ2 4.02Å; Y64-W110 AromaticContact CE2-CH2 3.51Å; Y64-W110 HydrophobicContact CE2-CH2 3.51Å; Y64-W110 AromaticContact CE2-CZ2 3.39Å; Y64-W110 HydrophobicContact CE2-CZ2 3.39Å; P65-W110 HydrophobicContact CB-CZ2 4.19Å; P65-W110 PolarHBondContact O-NE1 2.93Å; S67-W110 VanDerWaalsContact C-NE1 3.35Å; P68-W110 HydrophobicContact CB-CB 3.82Å; P68-W110 HydrophobicContact CB-CD2 3.53Å; P68-W110 HydrophobicContact CB-CE3 3.86Å; P68-W110 HydrophobicContact CB-CG 3.52Å; P68-W110 VanDerWaalsContact CD-CD1 3.47Å; P68-W110 HydrophobicContact CG-CB 3.88Å; P68-W110 HydrophobicContact CG-CD2 4.41Å; P68-W110 HydrophobicContact CG-CG 3.89Å; I92-W110 HydrophobicContact CG1-CE3 4.49Å; I92-W110 WeakPolarHBondContact O-CB 3.07Å; I92-W110 VanDerWaalsContact O-CE3 3.3Å; H94-W110 WeakPolarHBondContact O-CB 3.45Å; H94-W110 PolarHBondContact O-N 2.69Å; H94-W110 VanDerWaalsContact O-N 3.09Å; P96-W110 WeakPolarHBondContact CB-O 3.4Å; W110-Q114 HydrophobicContact CD2-CB 4.43Å; W110-Q114 HydrophobicContact CE3-CB 3.71Å; W110-Q114 HydrophobicContact CE3-CG 4.14Å; W110-Q114 HydrophobicContact CH2-CB 3.95Å; W110-Q114 HydrophobicContact CZ3-CB 3.43Å; W110-Q114 VanDerWaalsContact CZ3-CB 3.43Å; W110-Q114 HydrophobicContact CZ3-CG 4.35Å; W110-I119 HydrophobicContact CE3-CD1 4.42Å; W110-I119 HydrophobicContact CH2-CD1 4.08Å; W110-I119 HydrophobicContact CZ3-CD1 3.49Å; W110-I119 VanDerWaalsContact CZ3-CD1 3.49Å; W110-I119 HydrophobicContact CZ3-CG1 3.98Å
111S94.2Very high89.8Confident34 Ų3458.8 Ų58.824%0.23832%0.324CS..  trans-146.3157.3166.758.50000109.3R109 V113 Q114R109-S111 PolarHBondContact O-N 3.16Å; S111-V113 PolarHBondContact O-N 3.15Å; S111-V113 WeakPolarHBondContact OG-CG2 3.37Å; S111-Q114 WeakPolarHBondContact O-CB 3.21Å; S111-Q114 WeakPolarHBondContact O-CG 3.41Å; S111-Q114 PolarHBondContact O-N 2.96Å
112P94.8Very high90.5Very high58 Ų5854.4 Ų54.438%0.37731%0.307SS..THydrogen-bonded Turntrans-59.2-11-179.4-28.636.8000115.9R8 P65 L66R8-P112 PolarHBondContact NH1-O 3.48Å; P65-P112 HydrophobicContact CB-CB 4.41Å; P65-P112 HydrophobicContact CG-CB 4.13Å; L66-P112 HydrophobicContact CD2-CG 4.28Å
113V95Very high91.4Very high111 Ų11151.4 Ų51.467%0.67328%0.276SS*.THydrogen-bonded Turntrans-85.3-9.8175-59.10000113.5S111 K118S111-V113 PolarHBondContact O-N 3.15Å; S111-V113 WeakPolarHBondContact OG-CG2 3.37Å; V113-K118 PolarHBondContact O-NZ 3.41Å
114Q96.2Very high92.4Very high28 Ų2844.7 Ų44.713%0.13125%0.253CS..  trans-74.5158170-56.7-6210.300110.3R8 I92 W110 S111R8-Q114 PolarHBondContact NH2-O 3.22Å; I92-Q114 HydrophobicContact CD1-CB 4.36Å; I92-Q114 HydrophobicContact CD1-CG 4.16Å; I92-Q114 HydrophobicContact CG1-CB 4.42Å; I92-Q114 HydrophobicContact CG1-CG 4Å; W110-Q114 HydrophobicContact CD2-CB 4.43Å; W110-Q114 HydrophobicContact CE3-CB 3.71Å; W110-Q114 HydrophobicContact CE3-CG 4.14Å; W110-Q114 HydrophobicContact CH2-CB 3.95Å; W110-Q114 HydrophobicContact CZ3-CB 3.43Å; W110-Q114 VanDerWaalsContact CZ3-CB 3.43Å; W110-Q114 HydrophobicContact CZ3-CG 4.35Å; S111-Q114 WeakPolarHBondContact O-CB 3.21Å; S111-Q114 WeakPolarHBondContact O-CG 3.41Å; S111-Q114 PolarHBondContact O-N 2.96Å
115S96.3Very high93.1Very high18 Ų1846.5 Ų46.513%0.12627%0.27CS..  trans-132.7164.5179.160.30000110.6E12 E117 K118 I119E12-S115 WeakPolarHBondContact OE2-CA 3.47Å; E12-S115 WeakPolarHBondContact OE2-CB 3.33Å; S115-E117 PolarHBondContact O-N 3.03Å; S115-K118 PolarHBondContact O-N 3.2Å; S115-K118 VanDerWaalsContact O-N 3.13Å; S115-K118 WeakPolarHBondContact OG-CG 3.46Å; S115-K118 PolarHBondContact OG-N 3.43Å; S115-I119 PolarHBondContact O-N 3.28Å
116V97.6Very high93.8Very high0 Ų044.3 Ų44.30%025%0.254CS..Hα-helixtrans-55.7-42.7171.7176.70000110.6E12 L16 W37 L58 F60 K118 I119 L120E12-V116 WeakPolarHBondContact OE2-CG2 3.48Å; E12-V116 PolarHBondContact OE2-N 3.43Å; L16-V116 HydrophobicContact CD1-CB 4.02Å; L16-V116 HydrophobicContact CD1-CG1 3.79Å; W37-V116 HydrophobicContact CE3-CG1 4.24Å; W37-V116 HydrophobicContact CZ3-CG1 4.02Å; L58-V116 HydrophobicContact CD2-CG1 4.39Å; F60-V116 HydrophobicContact CE1-CG2 3.51Å; F60-V116 HydrophobicContact CZ-CG2 3.49Å; F60-V116 VanDerWaalsContact CZ-CG2 3.49Å; V116-K118 PolarHBondContact O-N 3.13Å; V116-I119 WeakPolarHBondContact O-CB 3.29Å; V116-I119 PolarHBondContact O-N 3.03Å; V116-L120 HydrophobicContact CG1-CD1 3.83Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.25Å
117E97.5Very high94.7Very high67 Ų6741.5 Ų41.531%0.31323%0.234SC..Hα-helixtrans-53.4-50173.5179.6179.5-147.900112L16 P21 S115 I119 L120 L121L16-E117 HydrophobicContact CD2-CB 3.95Å; L16-E117 HydrophobicContact CD2-CG 4.4Å; P21-E117 HydrophobicContact CG-CG 3.75Å; S115-E117 PolarHBondContact O-N 3.03Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.17Å; E117-L120 PolarHBondContact O-N 2.89Å; E117-L121 HydrophobicContact CG-CD1 4.03Å; E117-L121 WeakPolarHBondContact O-CG 3.36Å; E117-L121 PolarHBondContact O-N 3.22Å
118K96.7Very high95.4Very high90 Ų9038 Ų3839%0.39122%0.216SC..Hα-helixtrans-65.4-35.5179.4-71.3-179.5-177.6175.20112.9I92 V113 S115 V116 S122I92-K118 HydrophobicContact CD1-CB 4.05Å; V113-K118 PolarHBondContact O-NZ 3.41Å; S115-K118 PolarHBondContact O-N 3.2Å; S115-K118 VanDerWaalsContact O-N 3.13Å; S115-K118 WeakPolarHBondContact OG-CG 3.46Å; S115-K118 PolarHBondContact OG-N 3.43Å; V116-K118 PolarHBondContact O-N 3.13Å; K118-S122 WeakPolarHBondContact O-CB 3.25Å; K118-S122 PolarHBondContact O-N 2.92Å; K118-S122 PolarHBondContact O-OG 2.94Å
119I97.3Very high95.7Very high0 Ų040.9 Ų40.90%023%0.23CC..Hα-helixtrans-60.3-50.6172.7-69.4160.7000109.8L58 P69 M71 I92 L93 W110 S115 V116 E117 L121 S122 V123L58-I119 HydrophobicContact CD2-CG2 4.35Å; P69-I119 HydrophobicContact CG-CD1 3.41Å; P69-I119 VanDerWaalsContact CG-CD1 3.41Å; M71-I119 HydrophobicContact SD-CG2 3.98Å; I92-I119 HydrophobicContact CD1-CG1 4.25Å; I92-I119 HydrophobicContact CG1-CG1 4.42Å; L93-I119 HydrophobicContact CD2-CD1 4.05Å; L93-I119 HydrophobicContact CD2-CG1 4.08Å; L93-I119 HydrophobicContact CD2-CG2 3.88Å; L93-I119 HydrophobicContact CG-CG2 4.47Å; W110-I119 HydrophobicContact CE3-CD1 4.42Å; W110-I119 HydrophobicContact CH2-CD1 4.08Å; W110-I119 HydrophobicContact CZ3-CD1 3.49Å; W110-I119 VanDerWaalsContact CZ3-CD1 3.49Å; W110-I119 HydrophobicContact CZ3-CG1 3.98Å; S115-I119 PolarHBondContact O-N 3.28Å; V116-I119 WeakPolarHBondContact O-CB 3.29Å; V116-I119 PolarHBondContact O-N 3.03Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.17Å; I119-L121 PolarHBondContact O-N 3.49Å; I119-S122 WeakPolarHBondContact O-CB 3.36Å; I119-S122 PolarHBondContact O-N 3.05Å; I119-S122 VanDerWaalsContact O-N 3.15Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 3.02Å
120L97.7Very high95.5Very high0 Ų040.5 Ų40.50%023%0.23CC..Hα-helixtrans-65.4-40.9-176.6-63.3170.1000111.5I24 A26 A39 I41 V56 L58 M71 V116 E117 S122 V123 V124I24-L120 HydrophobicContact CD1-CB 3.88Å; I24-L120 HydrophobicContact CG2-CB 3.99Å; I24-L120 HydrophobicContact CG2-CD1 3.6Å; I24-L120 HydrophobicContact CG2-CG 4.3Å; A26-L120 HydrophobicContact CB-CD1 3.64Å; A39-L120 HydrophobicContact CB-CD1 4.31Å; A39-L120 HydrophobicContact CB-CD2 3.85Å; I41-L120 HydrophobicContact CD1-CD2 3.9Å; I41-L120 HydrophobicContact CG1-CD2 4.39Å; V56-L120 HydrophobicContact CG2-CD2 4.47Å; L58-L120 HydrophobicContact CD1-CD2 4.35Å; M71-L120 HydrophobicContact CE-CD2 4.4Å; V116-L120 HydrophobicContact CG1-CD1 3.83Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.34Å; V116-L120 PolarHBondContact O-N 3.25Å; E117-L120 PolarHBondContact O-N 2.89Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.8Å; L120-V123 WeakPolarHBondContact O-CB 3.25Å; L120-V123 PolarHBondContact O-N 2.95Å; L120-V124 PolarHBondContact O-N 3.28Å
121L96.9Very high95Very high73 Ų7344 Ų4438%0.38225%0.249SC..Hα-helixtrans-61.7-40.5172-70.8172.7000112.1P21 I24 E117 I119 V123 V124 S125P21-L121 HydrophobicContact CB-CD2 4.15Å; I24-L121 HydrophobicContact CD1-CD2 4.13Å; E117-L121 HydrophobicContact CG-CD1 4.03Å; E117-L121 WeakPolarHBondContact O-CG 3.36Å; E117-L121 PolarHBondContact O-N 3.22Å; I119-L121 PolarHBondContact O-N 3.49Å; L121-V123 PolarHBondContact O-N 3.39Å; L121-V124 WeakPolarHBondContact O-CB 3.38Å; L121-V124 PolarHBondContact O-N 3.12Å; L121-S125 PolarHBondContact O-N 2.73Å; L121-S125 PolarHBondContact O-OG 3.41Å
122S95.9Very high94.4Very high40 Ų4044.7 Ų44.728%0.2825%0.25SS..Hα-helixtrans-63-31.8176.1-57.70000111.9K118 I119 L120 M126K118-S122 WeakPolarHBondContact O-CB 3.25Å; K118-S122 PolarHBondContact O-N 2.92Å; K118-S122 PolarHBondContact O-OG 2.94Å; I119-S122 WeakPolarHBondContact O-CB 3.36Å; I119-S122 PolarHBondContact O-N 3.05Å; I119-S122 VanDerWaalsContact O-N 3.15Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.8Å; S122-M126 VanDerWaalsContact O-CB 3.25Å; S122-M126 WeakPolarHBondContact O-CB 3.23Å; S122-M126 PolarHBondContact O-N 3.09Å
123V96.4Very high93.5Very high0 Ų050 Ų500%027%0.27CS..Hα-helixtrans-72.5-39.7175.3174.70000111.3I41 M71 F73 V88 I90 I119 L120 L121 S125 M126 L127I41-V123 HydrophobicContact CD1-CB 4.15Å; I41-V123 HydrophobicContact CD1-CG1 3.72Å; M71-V123 HydrophobicContact CE-CB 4.09Å; M71-V123 HydrophobicContact CE-CG1 3.82Å; M71-V123 HydrophobicContact CE-CG2 3.49Å; M71-V123 VanDerWaalsContact CE-CG2 3.49Å; M71-V123 HydrophobicContact SD-CG2 3.53Å; M71-V123 VanDerWaalsContact SD-CG2 3.53Å; F73-V123 HydrophobicContact CE2-CG1 4.28Å; F73-V123 HydrophobicContact CZ-CG1 3.82Å; V88-V123 HydrophobicContact CG1-CG2 4.43Å; I90-V123 HydrophobicContact CD1-CG2 3.89Å; I119-V123 WeakPolarHBondContact O-CG2 3.37Å; I119-V123 PolarHBondContact O-N 3.02Å; L120-V123 WeakPolarHBondContact O-CB 3.25Å; L120-V123 PolarHBondContact O-N 2.95Å; L121-V123 PolarHBondContact O-N 3.39Å; V123-S125 VanDerWaalsContact C-N 3.35Å; V123-M126 HydrophobicContact CG1-CE 4.11Å; V123-M126 WeakPolarHBondContact O-CB 3.25Å; V123-M126 PolarHBondContact O-N 3.05Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.03Å
124V96.7Very high92.6Very high34 Ų3447.1 Ų47.121%0.20626%0.255CS..Hα-helixtrans-59.2-47.4172.2173.10000110.2I24 I41 P44 L120 L121 M126 L127 A128I24-V124 HydrophobicContact CD1-CG2 3.78Å; I24-V124 HydrophobicContact CG1-CG2 4.21Å; I41-V124 HydrophobicContact CG2-CG2 3.52Å; P44-V124 HydrophobicContact CB-CG1 4.29Å; P44-V124 HydrophobicContact CG-CG1 3.87Å; P44-V124 WeakPolarHBondContact CG-O 3.42Å; L120-V124 PolarHBondContact O-N 3.28Å; L121-V124 WeakPolarHBondContact O-CB 3.38Å; L121-V124 PolarHBondContact O-N 3.12Å; V124-M126 PolarHBondContact O-N 2.88Å; V124-L127 PolarHBondContact O-N 3.25Å; V124-A128 PolarHBondContact O-N 3.01Å
125S95.3Very high92.2Very high74 Ų7447.4 Ų47.452%0.51726%0.262SS..Hα-helixtrans-61.2-43174.9-61.80000112.3L121 V123 L127 A128 E129L121-S125 PolarHBondContact O-N 2.73Å; L121-S125 PolarHBondContact O-OG 3.41Å; V123-S125 VanDerWaalsContact C-N 3.35Å; S125-L127 VanDerWaalsContact C-N 3.33Å; S125-L127 PolarHBondContact O-N 2.84Å; S125-A128 PolarHBondContact O-N 2.83Å; S125-A128 VanDerWaalsContact O-N 3.12Å; S125-E129 PolarHBondContact O-N 2.84Å
126M94.8Very high92Very high10 Ų1047.2 Ų47.25%0.04926%0.261CS..Hα-helixtrans-58.8-41.9176.6177.4-153.574.500112F73 H79 N81 I82 V88 I90 S122 V123 V124 A128 E129F73-M126 HydrophobicContact CE2-CE 4.43Å; H79-M126 VanDerWaalsContact CE1-CG 3.48Å; H79-M126 WeakPolarHBondContact CE1-CG 3.41Å; H79-M126 PolarHBondContact CE1-O 2.9Å; H79-M126 PolarHBondContact NE2-O 2.91Å; N81-M126 HydrophobicContact CB-CG 3.92Å; N81-M126 HydrophobicContact CB-SD 3.61Å; I82-M126 HydrophobicContact CD1-CE 3.9Å; I82-M126 HydrophobicContact CG1-CE 3.94Å; V88-M126 HydrophobicContact CG1-CE 4.5Å; V88-M126 HydrophobicContact CG1-SD 3.86Å; I90-M126 HydrophobicContact CG2-CB 4.21Å; I90-M126 HydrophobicContact CG2-CG 3.82Å; I90-M126 HydrophobicContact CG2-SD 3.52Å; I90-M126 VanDerWaalsContact CG2-SD 3.52Å; S122-M126 VanDerWaalsContact O-CB 3.25Å; S122-M126 WeakPolarHBondContact O-CB 3.23Å; S122-M126 PolarHBondContact O-N 3.09Å; V123-M126 HydrophobicContact CG1-CE 4.11Å; V123-M126 WeakPolarHBondContact O-CB 3.25Å; V123-M126 PolarHBondContact O-N 3.05Å; V124-M126 PolarHBondContact O-N 2.88Å; M126-A128 VanDerWaalsContact C-N 3.29Å; M126-A128 PolarHBondContact O-N 2.89Å; M126-E129 CarbonylContact O-C 3.48Å; M126-E129 PolarHBondContact O-N 3.49Å
127L95.8Very high91.9Very high0 Ų048.1 Ų48.10%027%0.266CS..Hα-helixtrans-64.9-33.8176.8-71.2173.2000112.3P44 F49 F54 V123 V124 S125P44-L127 HydrophobicContact CG-CB 4.12Å; F49-L127 HydrophobicContact CD1-CD2 4.41Å; F49-L127 HydrophobicContact CD2-CB 4.14Å; F49-L127 HydrophobicContact CD2-CD2 4.07Å; F49-L127 VanDerWaalsContact CD2-O 3.31Å; F49-L127 WeakPolarHBondContact CD2-O 3.05Å; F49-L127 HydrophobicContact CE1-CD2 4.5Å; F49-L127 HydrophobicContact CE2-CD2 4.17Å; F49-L127 HydrophobicContact CG-CD2 4.2Å; F49-L127 HydrophobicContact CZ-CD2 4.39Å; F54-L127 HydrophobicContact CD2-CD1 4.12Å; F54-L127 HydrophobicContact CE2-CD1 4.33Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.03Å; V124-L127 PolarHBondContact O-N 3.25Å; S125-L127 VanDerWaalsContact C-N 3.33Å; S125-L127 PolarHBondContact O-N 2.84Å
128A94.4Very high91.8Very high38 Ų3849.8 Ų49.831%0.31428%0.281SS..Hα-helixtrans-75.9-40.8177.700000112.7P44 T47 V124 S125 M126 P130P44-A128 HydrophobicContact CB-CB 4.45Å; P44-A128 HydrophobicContact CG-CB 4.21Å; T47-A128 HydrophobicContact CG2-CB 3.64Å; V124-A128 PolarHBondContact O-N 3.01Å; S125-A128 PolarHBondContact O-N 2.83Å; S125-A128 VanDerWaalsContact O-N 3.12Å; M126-A128 VanDerWaalsContact C-N 3.29Å; M126-A128 PolarHBondContact O-N 2.89Å; A128-P130 WeakPolarHBondContact O-CD 3.26Å
129E91.8Very high91.7Very high160 Ų16050.9 Ų50.975%0.74829%0.291SS*.SBendtrans-127.782.7-174.6-63.9-177.3174.500110.4S125 M126 N131S125-E129 PolarHBondContact O-N 2.84Å; M126-E129 CarbonylContact O-C 3.48Å; M126-E129 PolarHBondContact O-N 3.49Å; E129-N131 PolarHBondContact O-N 3.02Å
130P89Confident91.7Very high12 Ų1250.9 Ų50.98%0.07829%0.291CS..  trans-57.6128.2177.1-24.131000112.5P80 A128 W144 F151P80-P130 HydrophobicContact CB-CB 4.43Å; P80-P130 HydrophobicContact CG-CB 3.75Å; A128-P130 WeakPolarHBondContact O-CD 3.26Å; P130-W144 HydrophobicContact CB-CD2 4.22Å; P130-W144 HydrophobicContact CB-CZ2 4.21Å; P130-W144 HydrophobicContact CG-CD2 4.11Å; P130-W144 HydrophobicContact CG-CE3 4.04Å; P130-W144 HydrophobicContact CG-CH2 3.68Å; P130-W144 HydrophobicContact CG-CZ2 3.81Å; P130-W144 HydrophobicContact CG-CZ3 3.81Å; P130-F151 HydrophobicContact CG-CZ 4.38Å
131N84.2Confident91.5Very high77 Ų7750.9 Ų50.941%0.41229%0.291SS..  trans-92.4114.6172.3-179.9-22.4000109.7N81 E129 E133N81-N131 PolarHBondContact ND2-O 3.19Å; N81-N131 PolarHBondContact OD1-N 2.88Å; N81-N131 PolarHBondContact OD1-O 3.02Å; E129-N131 PolarHBondContact O-N 3.02Å; N131-E133 WeakPolarHBondContact OD1-CB 3.4Å; N131-E133 PolarHBondContact OD1-N 2.7Å
132D81.9Confident91.5Very high49 Ų4952.2 Ų52.226%0.26229%0.294SS..  trans-102.43.8-176.875-40.2000114.6A141 R145D132-A141 HydrophobicContact CB-CB 4.12Å; D132-R145 PolarHBondContact O-NH1 3.37Å; D132-R145 WeakPolarHBondContact OD2-CD 3.46Å; D132-R145 WeakPolarHBondContact OD2-CG 3.34Å; D132-R145 IonicContact OD2-CZ 3.67Å; D132-R145 IonicContact OD2-NE 3.78Å; D132-R145 IonicContact OD2-NH1 2.81Å; D132-R145 PolarHBondContact OD2-NH1 2.81Å
133E76.2Confident91.5Very high170 Ų17051.1 Ų51.179%0.79429%0.285SS*.THydrogen-bonded Turntrans-74.1-34.4176.1-60.5-171.816000111.8N131N131-E133 WeakPolarHBondContact OD1-CB 3.4Å; N131-E133 PolarHBondContact OD1-N 2.7Å
134S77.2Confident91.4Very high50 Ų5053.5 Ų53.535%0.3529%0.294SS..THydrogen-bonded Turntrans-129.263.3178.1-70.10000111.2A136S134-A136 PolarHBondContact O-N 3.4Å
135A86.7Confident91.3Very high33 Ų3358.2 Ų58.227%0.27331%0.308SS..  trans-72.5123.8-174.300000113.3P80 N137 A141P80-A135 CarbonylContact O-C 3.57Å; P80-A135 WeakPolarHBondContact O-CA 3.4Å; A135-N137 VanDerWaalsContact C-N 3.3Å; A135-A141 HydrophobicContact CB-CB 3.41Å; A135-A141 VanDerWaalsContact CB-CB 3.41Å
136A93Very high91.3Very high14 Ų1461.2 Ų61.212%0.11631%0.314CS..SBendtrans-71.6-25.5166.100000112.7P80 Y83 C89 S134P80-A136 PolarHBondContact O-N 2.96Å; Y83-A136 HydrophobicContact CD1-CB 3.88Å; Y83-A136 WeakPolarHBondContact CD1-O 3.33Å; Y83-A136 HydrophobicContact CD2-CB 3.74Å; Y83-A136 HydrophobicContact CE1-CB 3.84Å; Y83-A136 HydrophobicContact CE2-CB 3.7Å; Y83-A136 HydrophobicContact CG-CB 3.82Å; C89-A136 HydrophobicContact CB-CB 3.7Å; S134-A136 PolarHBondContact O-N 3.4Å
137N95.2Very high91.4Very high20 Ų2064 Ų6411%0.10733%0.329CS..  trans-126.5100.8176.2-178.2-18000109.8H79 P80 I82 A135 D139 A140 A141H79-N137 WeakPolarHBondContact O-CB 3.47Å; P80-N137 PolarHBondContact O-N 2.8Å; I82-N137 VanDerWaalsContact O-CB 3.32Å; I82-N137 WeakPolarHBondContact O-CB 3.22Å; A135-N137 VanDerWaalsContact C-N 3.3Å; N137-D139 VanDerWaalsContact C-N 3.3Å; N137-D139 PolarHBondContact O-N 2.77Å; N137-D139 PolarHBondContact OD1-N 2.89Å; N137-A140 HydrophobicContact CB-CB 3.94Å; N137-A140 PolarHBondContact O-N 2.85Å; N137-A140 PolarHBondContact OD1-N 2.84Å; N137-A141 PolarHBondContact O-N 2.92Å
138V94.4Very high91.3Very high102 Ų10268.6 Ų68.662%0.61835%0.349SS*.Hα-helixtrans-62.9-36.6-176.7179.40000111.7A141 K142V138-A141 PolarHBondContact O-N 2.74Å; V138-K142 VanDerWaalsContact O-CB 3.32Å; V138-K142 WeakPolarHBondContact O-CB 3.48Å; V138-K142 PolarHBondContact O-N 2.74Å
139D95.1Very high91.4Very high113 Ų11370.4 Ų70.460%0.60436%0.364SS*.Hα-helixtrans-68.6-40.5179-69.1-33000111.4N137 K142 T143N137-D139 VanDerWaalsContact C-N 3.3Å; N137-D139 PolarHBondContact O-N 2.77Å; N137-D139 PolarHBondContact OD1-N 2.89Å; D139-K142 PolarHBondContact O-N 3.2Å; D139-T143 VanDerWaalsContact O-CB 3.31Å; D139-T143 WeakPolarHBondContact O-CB 3.47Å; D139-T143 PolarHBondContact O-N 3.17Å; D139-T143 PolarHBondContact O-OG1 3.31Å
140A96.4Very high91.7Very high0 Ų069.9 Ų69.90%036%0.355CS..Hα-helixtrans-65.5-43.6174.600000111.6F78 H79 P80 N137 T143 W144F78-A140 HydrophobicContact CD1-CB 4.13Å; F78-A140 HydrophobicContact CD2-CB 4.34Å; F78-A140 HydrophobicContact CE1-CB 3.78Å; F78-A140 HydrophobicContact CE2-CB 4Å; F78-A140 HydrophobicContact CG-CB 4.41Å; F78-A140 HydrophobicContact CZ-CB 3.72Å; H79-A140 VanDerWaalsContact C-CB 3.47Å; P80-A140 HydrophobicContact CG-CB 4.26Å; N137-A140 HydrophobicContact CB-CB 3.94Å; N137-A140 PolarHBondContact O-N 2.85Å; N137-A140 PolarHBondContact OD1-N 2.84Å; A140-T143 PolarHBondContact O-N 3.06Å; A140-W144 VanDerWaalsContact O-CB 3.24Å; A140-W144 WeakPolarHBondContact O-CB 3.27Å; A140-W144 PolarHBondContact O-N 3.47Å
141A95.5Very high92.1Very high0 Ų069.3 Ų69.30%035%0.351CS..Hα-helixtrans-62.5-43.8175.500000112.6P80 D132 A135 N137 V138 W144 R145P80-A141 HydrophobicContact CB-CB 4.12Å; P80-A141 HydrophobicContact CG-CB 4.49Å; D132-A141 HydrophobicContact CB-CB 4.12Å; A135-A141 HydrophobicContact CB-CB 3.41Å; A135-A141 VanDerWaalsContact CB-CB 3.41Å; N137-A141 PolarHBondContact O-N 2.92Å; V138-A141 PolarHBondContact O-N 2.74Å; A141-W144 PolarHBondContact O-N 2.98Å; A141-R145 WeakPolarHBondContact O-CG 3.45Å; A141-R145 PolarHBondContact O-N 3.49Å; A141-R145 VanDerWaalsContact O-N 3.1Å
142K95.5Very high92.6Very high101 Ų10168.9 Ų68.944%0.43935%0.349SS..Hα-helixtrans-63-46.9175.9-174.5179.8177.1-179.60111.5V138 D139 W144 R145 E146V138-K142 VanDerWaalsContact O-CB 3.32Å; V138-K142 WeakPolarHBondContact O-CB 3.48Å; V138-K142 PolarHBondContact O-N 2.74Å; D139-K142 PolarHBondContact O-N 3.2Å; K142-W144 VanDerWaalsContact C-N 3.33Å; K142-W144 PolarHBondContact O-N 3.07Å; K142-R145 PolarHBondContact O-N 2.9Å; K142-E146 WeakPolarHBondContact CE-OE1 3.16Å; K142-E146 WeakPolarHBondContact CE-OE2 3.42Å; K142-E146 HydrophobicContact CG-CG 4.36Å; K142-E146 WeakPolarHBondContact CG-OE1 3.18Å; K142-E146 IonicContact NZ-OE2 3.22Å; K142-E146 WeakPolarHBondContact O-CB 3.36Å; K142-E146 PolarHBondContact O-N 2.81Å
143T96Very high93.3Very high16 Ų1670.3 Ų70.310%0.09836%0.363CS..Hα-helixtrans-63-41.2178.7-52.70000111F78 D139 A140 R145 E146 D147 R150 F151 L154F78-T143 HydrophobicContact CE1-CG2 4.41Å; D139-T143 VanDerWaalsContact O-CB 3.31Å; D139-T143 WeakPolarHBondContact O-CB 3.47Å; D139-T143 PolarHBondContact O-N 3.17Å; D139-T143 PolarHBondContact O-OG1 3.31Å; A140-T143 PolarHBondContact O-N 3.06Å; T143-R145 VanDerWaalsContact C-N 3.31Å; T143-R145 PolarHBondContact O-N 2.97Å; T143-E146 PolarHBondContact O-N 2.84Å; T143-D147 CarbonylContact O-C 3.5Å; T143-D147 WeakPolarHBondContact O-CA 3.37Å; T143-D147 PolarHBondContact O-N 2.74Å; T143-D147 VanDerWaalsContact O-O 3.04Å; T143-R150 HydrophobicContact CG2-CB 4Å; T143-R150 HydrophobicContact CG2-CG 3.86Å; T143-F151 HydrophobicContact CG2-CB 4.05Å; T143-L154 HydrophobicContact CG2-CD1 4.39Å
144W94.7Very high94.3Very high50 Ų5064.3 Ų64.319%0.18934%0.336CS..Hα-helixtrans-57.6-41.2174.9171.9-107.8000113.1P80 P130 A140 A141 K142 K148 F151P80-W144 HydrophobicContact CG-CB 4.3Å; P130-W144 HydrophobicContact CB-CD2 4.22Å; P130-W144 HydrophobicContact CB-CZ2 4.21Å; P130-W144 HydrophobicContact CG-CD2 4.11Å; P130-W144 HydrophobicContact CG-CE3 4.04Å; P130-W144 HydrophobicContact CG-CH2 3.68Å; P130-W144 HydrophobicContact CG-CZ2 3.81Å; P130-W144 HydrophobicContact CG-CZ3 3.81Å; A140-W144 VanDerWaalsContact O-CB 3.24Å; A140-W144 WeakPolarHBondContact O-CB 3.27Å; A140-W144 PolarHBondContact O-N 3.47Å; A141-W144 PolarHBondContact O-N 2.98Å; K142-W144 VanDerWaalsContact C-N 3.33Å; K142-W144 PolarHBondContact O-N 3.07Å; W144-K148 HydrophobicContact CD2-CD 4.47Å; W144-K148 HydrophobicContact CE3-CD 3.88Å; W144-K148 HydrophobicContact CZ3-CD 4.01Å; W144-F151 HydrophobicContact CB-CD2 3.81Å; W144-F151 HydrophobicContact CB-CE2 3.97Å; W144-F151 HydrophobicContact CB-CG 4.45Å; W144-F151 AromaticContact CE3-CD1 3.57Å; W144-F151 HydrophobicContact CE3-CD1 3.57Å; W144-F151 HydrophobicContact CE3-CD2 4.1Å; W144-F151 AromaticContact CE3-CE1 3.52Å; W144-F151 HydrophobicContact CE3-CE1 3.52Å; W144-F151 HydrophobicContact CE3-CE2 4.06Å; W144-F151 AromaticContact CE3-CG 3.86Å; W144-F151 HydrophobicContact CE3-CG 3.86Å; W144-F151 AromaticContact CE3-CZ 3.77Å; W144-F151 HydrophobicContact CE3-CZ 3.77Å; W144-F151 AromaticContact CZ3-CD1 3.91Å; W144-F151 HydrophobicContact CZ3-CD1 3.91Å; W144-F151 AromaticContact CZ3-CE1 3.7Å; W144-F151 HydrophobicContact CZ3-CE1 3.7Å; W144-F151 HydrophobicContact CZ3-CZ 4.26Å
145R93.4Very high95.2Very high133 Ų13362 Ų6250%0.50232%0.32SS..Hα-helixtrans-74.7-44.9178.4-75.5-169.8-70.8-93.23.4113.7D132 A141 K142 T143D132-R145 PolarHBondContact O-NH1 3.37Å; D132-R145 WeakPolarHBondContact OD2-CD 3.46Å; D132-R145 WeakPolarHBondContact OD2-CG 3.34Å; D132-R145 IonicContact OD2-CZ 3.67Å; D132-R145 IonicContact OD2-NE 3.78Å; D132-R145 IonicContact OD2-NH1 2.81Å; D132-R145 PolarHBondContact OD2-NH1 2.81Å; A141-R145 WeakPolarHBondContact O-CG 3.45Å; A141-R145 PolarHBondContact O-N 3.49Å; A141-R145 VanDerWaalsContact O-N 3.1Å; K142-R145 PolarHBondContact O-N 2.9Å; T143-R145 VanDerWaalsContact C-N 3.31Å; T143-R145 PolarHBondContact O-N 2.97Å
146E96Very high95.7Very high138 Ų13865 Ų6565%0.64533%0.331SS*.Hα-helixtrans-98.3-29.4-165.9-65.3178.2-167.400113.6K142 T143K142-E146 WeakPolarHBondContact CE-OE1 3.16Å; K142-E146 WeakPolarHBondContact CE-OE2 3.42Å; K142-E146 HydrophobicContact CG-CG 4.36Å; K142-E146 WeakPolarHBondContact CG-OE1 3.18Å; K142-E146 IonicContact NZ-OE2 3.22Å; K142-E146 WeakPolarHBondContact O-CB 3.36Å; K142-E146 PolarHBondContact O-N 2.81Å; T143-E146 PolarHBondContact O-N 2.84Å
147D96.4Very high95.8Very high69 Ų6968.8 Ų68.837%0.36934%0.342SS..  trans-146.780.7-172.4-170.9-13.1000111.6T143 A149 R150 F151T143-D147 CarbonylContact O-C 3.5Å; T143-D147 WeakPolarHBondContact O-CA 3.37Å; T143-D147 PolarHBondContact O-N 2.74Å; T143-D147 VanDerWaalsContact O-O 3.04Å; D147-A149 PolarHBondContact O-N 2.88Å; D147-A149 PolarHBondContact OD1-N 3.3Å; D147-R150 HydrophobicContact CB-CB 4Å; D147-R150 PolarHBondContact O-N 2.82Å; D147-R150 WeakPolarHBondContact OD1-CB 3.25Å; D147-R150 PolarHBondContact OD1-N 2.8Å; D147-R150 WeakPolarHBondContact OD2-CB 3.4Å; D147-F151 PolarHBondContact O-N 2.64Å
148K95Very high95.9Very high96 Ų9667.9 Ų67.942%0.41734%0.338SS..Hα-helixtrans-59.8-34.3-179.5-154.967.9159.1-155.30113W144 F151 N152W144-K148 HydrophobicContact CD2-CD 4.47Å; W144-K148 HydrophobicContact CE3-CD 3.88Å; W144-K148 HydrophobicContact CZ3-CD 4.01Å; K148-F151 PolarHBondContact O-N 2.85Å; K148-N152 WeakPolarHBondContact O-CB 3.41Å; K148-N152 PolarHBondContact O-N 2.89Å; K148-N152 PolarHBondContact O-OD1 3.41Å
149A96.8Very high96Very high75 Ų7563.5 Ų63.562%0.6231%0.311SS*.Hα-helixtrans-66.6-45.5179.700000110.7D147 N152 S153D147-A149 PolarHBondContact O-N 2.88Å; D147-A149 PolarHBondContact OD1-N 3.3Å; A149-N152 PolarHBondContact O-N 2.83Å; A149-S153 PolarHBondContact O-N 2.68Å
150R97.2Very high96.1Very high149 Ų14962.2 Ų62.256%0.56230%0.297SS*.Hα-helixtrans-64.3-40.7173.7-177.7177.1178.1180-1.4112.1T143 D147 N152 S153 L154T143-R150 HydrophobicContact CG2-CB 4Å; T143-R150 HydrophobicContact CG2-CG 3.86Å; D147-R150 HydrophobicContact CB-CB 4Å; D147-R150 PolarHBondContact O-N 2.82Å; D147-R150 WeakPolarHBondContact OD1-CB 3.25Å; D147-R150 PolarHBondContact OD1-N 2.8Å; D147-R150 WeakPolarHBondContact OD2-CB 3.4Å; R150-N152 VanDerWaalsContact C-N 3.34Å; R150-N152 PolarHBondContact O-N 3.38Å; R150-S153 PolarHBondContact O-N 3.49Å; R150-L154 HydrophobicContact CG-CD1 4.03Å; R150-L154 WeakPolarHBondContact O-CG 3.16Å; R150-L154 PolarHBondContact O-N 2.99Å
151F97Very high96.1Very high0 Ų064.3 Ų64.30%031%0.308CS..Hα-helixtrans-56.5-50.1174.9-175.2-88.4000111P48 F49 F78 P80 P130 T143 W144 D147 K148 S153 L154 A155P48-F151 HydrophobicContact CB-CE1 4.39Å; P48-F151 HydrophobicContact CG-CD1 4.34Å; P48-F151 HydrophobicContact CG-CE1 4.21Å; F49-F151 HydrophobicContact CE2-CE1 4.41Å; F49-F151 HydrophobicContact CE2-CZ 4.47Å; F49-F151 HydrophobicContact CZ-CE1 4.45Å; F49-F151 HydrophobicContact CZ-CZ 4.29Å; F78-F151 HydrophobicContact CD1-CD2 4.22Å; F78-F151 HydrophobicContact CD1-CE2 4.18Å; F78-F151 AromaticContact CE1-CD2 3.96Å; F78-F151 HydrophobicContact CE1-CD2 3.96Å; F78-F151 HydrophobicContact CE1-CE2 4.24Å; P80-F151 HydrophobicContact CG-CE2 4.36Å; P130-F151 HydrophobicContact CG-CZ 4.38Å; T143-F151 HydrophobicContact CG2-CB 4.05Å; W144-F151 HydrophobicContact CB-CD2 3.81Å; W144-F151 HydrophobicContact CB-CE2 3.97Å; W144-F151 HydrophobicContact CB-CG 4.45Å; W144-F151 AromaticContact CE3-CD1 3.57Å; W144-F151 HydrophobicContact CE3-CD1 3.57Å; W144-F151 HydrophobicContact CE3-CD2 4.1Å; W144-F151 AromaticContact CE3-CE1 3.52Å; W144-F151 HydrophobicContact CE3-CE1 3.52Å; W144-F151 HydrophobicContact CE3-CE2 4.06Å; W144-F151 AromaticContact CE3-CG 3.86Å; W144-F151 HydrophobicContact CE3-CG 3.86Å; W144-F151 AromaticContact CE3-CZ 3.77Å; W144-F151 HydrophobicContact CE3-CZ 3.77Å; W144-F151 AromaticContact CZ3-CD1 3.91Å; W144-F151 HydrophobicContact CZ3-CD1 3.91Å; W144-F151 AromaticContact CZ3-CE1 3.7Å; W144-F151 HydrophobicContact CZ3-CE1 3.7Å; W144-F151 HydrophobicContact CZ3-CZ 4.26Å; D147-F151 PolarHBondContact O-N 2.64Å; K148-F151 PolarHBondContact O-N 2.85Å; F151-S153 VanDerWaalsContact C-N 3.31Å; F151-S153 PolarHBondContact O-N 2.86Å; F151-L154 PolarHBondContact O-N 3.21Å; F151-L154 VanDerWaalsContact O-N 3.12Å; F151-A155 HydrophobicContact CE1-CB 4.38Å; F151-A155 WeakPolarHBondContact O-CB 3.15Å; F151-A155 PolarHBondContact O-N 3.11Å
152N96.1Very high96.1Very high68 Ų6865.3 Ų65.336%0.36432%0.315SS..Hα-helixtrans-61.8-38.7-179.9-68.70.1000112.1P48 K148 A149 R150 A155 L156P48-N152 WeakPolarHBondContact CG-OD1 3.33Å; K148-N152 WeakPolarHBondContact O-CB 3.41Å; K148-N152 PolarHBondContact O-N 2.89Å; K148-N152 PolarHBondContact O-OD1 3.41Å; A149-N152 PolarHBondContact O-N 2.83Å; R150-N152 VanDerWaalsContact C-N 3.34Å; R150-N152 PolarHBondContact O-N 3.38Å; N152-A155 PolarHBondContact O-N 3.04Å; N152-L156 WeakPolarHBondContact O-CB 3.43Å; N152-L156 PolarHBondContact O-N 2.72Å
153S96.5Very high96.1Very high80 Ų8064.5 Ų64.556%0.55932%0.315SS*.Hα-helixtrans-63.9-39.1174.8-1750000112.7A149 R150 F151 R157A149-S153 PolarHBondContact O-N 2.68Å; R150-S153 PolarHBondContact O-N 3.49Å; F151-S153 VanDerWaalsContact C-N 3.31Å; F151-S153 PolarHBondContact O-N 2.86Å; S153-R157 PolarHBondContact O-N 3.38Å; S153-R157 VanDerWaalsContact O-N 3.14Å
154L96.6Very high96Very high44 Ų4467.2 Ų67.223%0.2335%0.347CS..Hα-helixtrans-73.4-37.7178.2-69.9169.3000111.8F78 T143 R150 F151 R157 S158F78-L154 HydrophobicContact CB-CB 4.31Å; F78-L154 HydrophobicContact CD1-CB 3.61Å; F78-L154 HydrophobicContact CD1-CD1 3.94Å; F78-L154 HydrophobicContact CD1-CG 4.42Å; F78-L154 HydrophobicContact CE1-CB 4.05Å; F78-L154 HydrophobicContact CE1-CD1 3.51Å; F78-L154 HydrophobicContact CE1-CG 4.43Å; F78-L154 HydrophobicContact CE2-CD1 4.14Å; F78-L154 HydrophobicContact CG-CB 3.96Å; F78-L154 HydrophobicContact CG-CD1 4.41Å; F78-L154 HydrophobicContact CZ-CD1 3.61Å; T143-L154 HydrophobicContact CG2-CD1 4.39Å; R150-L154 HydrophobicContact CG-CD1 4.03Å; R150-L154 WeakPolarHBondContact O-CG 3.16Å; R150-L154 PolarHBondContact O-N 2.99Å; F151-L154 PolarHBondContact O-N 3.21Å; F151-L154 VanDerWaalsContact O-N 3.12Å; L154-R157 WeakPolarHBondContact O-CB 3.21Å; L154-R157 PolarHBondContact O-N 3.4Å; L154-S158 PolarHBondContact O-N 3.45Å; L154-S158 VanDerWaalsContact O-N 3.12Å
155A96.2Very high95.9Very high0 Ų068.7 Ų68.70%036%0.358CS..Hα-helixtrans-62.7-42.6172.100000111.4P48 F49 F151 N152 R157 S158 V159P48-A155 HydrophobicContact CB-CB 3.51Å; F49-A155 HydrophobicContact CD1-CB 4.11Å; F49-A155 HydrophobicContact CE1-CB 3.73Å; F49-A155 HydrophobicContact CZ-CB 3.95Å; F151-A155 HydrophobicContact CE1-CB 4.38Å; F151-A155 WeakPolarHBondContact O-CB 3.15Å; F151-A155 PolarHBondContact O-N 3.11Å; N152-A155 PolarHBondContact O-N 3.04Å; A155-R157 VanDerWaalsContact C-N 3.26Å; A155-R157 PolarHBondContact O-N 2.77Å; A155-S158 CarbonylContact O-C 3.15Å; A155-S158 WeakPolarHBondContact O-CA 3.34Å; A155-S158 VanDerWaalsContact O-CB 3.31Å; A155-S158 WeakPolarHBondContact O-CB 3.49Å; A155-S158 PolarHBondContact O-N 2.93Å; A155-V159 PolarHBondContact O-N 2.98Å
156L95.8Very high95.5Very high98 Ų9865.6 Ų65.651%0.51336%0.356SS..Hα-helixtrans-61.1-34.9174-177.463.6000112.2N152 V159 R160N152-L156 WeakPolarHBondContact O-CB 3.43Å; N152-L156 PolarHBondContact O-N 2.72Å; L156-V159 HydrophobicContact CD1-CB 4.47Å; L156-V159 WeakPolarHBondContact O-CB 3.49Å; L156-V159 PolarHBondContact O-N 3.41Å; L156-R160 WeakPolarHBondContact O-CG 3.48Å; L156-R160 PolarHBondContact O-N 2.89Å
157R96.5Very high94.5Very high93 Ų9360.7 Ų60.735%0.35134%0.339SS..Hα-helixtrans-61.7-44.3171.7-174.9177.4167.9-104.3-5.7111E76 S153 L154 A155 V159 R160 I161 A167E76-R157 IonicContact OE1-CZ 2.78Å; E76-R157 IonicContact OE1-NH1 3.96Å; E76-R157 PolarHBondContact OE1-NH1 3.19Å; E76-R157 IonicContact OE1-NH2 2.8Å; S153-R157 PolarHBondContact O-N 3.38Å; S153-R157 VanDerWaalsContact O-N 3.14Å; L154-R157 WeakPolarHBondContact O-CB 3.21Å; L154-R157 PolarHBondContact O-N 3.4Å; A155-R157 VanDerWaalsContact C-N 3.26Å; A155-R157 PolarHBondContact O-N 2.77Å; R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 3.3Å; R157-R160 PolarHBondContact O-N 2.69Å; R157-I161 HydrophobicContact CG-CD1 4.15Å; R157-I161 VanDerWaalsContact O-CG1 3.31Å; R157-I161 WeakPolarHBondContact O-CG1 3.32Å; R157-I161 PolarHBondContact O-N 3.13Å; R157-A167 HydrophobicContact CG-CB 3.82Å
158S96.7Very high93.1Very high1 Ų168 Ų681%0.00737%0.371CS..Hα-helixtrans-61.3-39.7173.2-65.10000112.6E76 V77 F78 L154 A155 I161 S162E76-S158 PolarHBondContact O-OG 3.36Å; V77-S158 WeakPolarHBondContact CA-OG 3.36Å; F78-S158 PolarHBondContact N-OG 2.92Å; L154-S158 PolarHBondContact O-N 3.45Å; L154-S158 VanDerWaalsContact O-N 3.12Å; A155-S158 CarbonylContact O-C 3.15Å; A155-S158 WeakPolarHBondContact O-CA 3.34Å; A155-S158 VanDerWaalsContact O-CB 3.31Å; A155-S158 WeakPolarHBondContact O-CB 3.49Å; A155-S158 PolarHBondContact O-N 2.93Å; S158-I161 PolarHBondContact O-N 2.86Å; S158-S162 WeakPolarHBondContact O-CB 3.48Å; S158-S162 PolarHBondContact O-N 3.02Å
159V97.2Very high93Very high9 Ų966.6 Ų66.66%0.05537%0.369CS..Hα-helixtrans-58.3-50.1173.2168.50000110.8F49 F54 A155 L156 R157 I161 S162 L163F49-V159 WeakPolarHBondContact O-CG2 3.45Å; F54-V159 HydrophobicContact CZ-CG2 4.2Å; A155-V159 PolarHBondContact O-N 2.98Å; L156-V159 HydrophobicContact CD1-CB 4.47Å; L156-V159 WeakPolarHBondContact O-CB 3.49Å; L156-V159 PolarHBondContact O-N 3.41Å; R157-V159 VanDerWaalsContact C-N 3.34Å; R157-V159 PolarHBondContact O-N 3.3Å; V159-I161 PolarHBondContact O-N 2.77Å; V159-S162 WeakPolarHBondContact O-CB 3.33Å; V159-S162 PolarHBondContact O-N 2.93Å; V159-S162 PolarHBondContact O-OG 3.03Å; V159-L163 HydrophobicContact CG1-CD1 4.21Å; V159-L163 WeakPolarHBondContact O-CG 3.28Å; V159-L163 PolarHBondContact O-N 3.35Å
160R97Very high92.8Very high86 Ų8666.1 Ų66.133%0.32536%0.356SS..Hα-helixtrans-59.4-45.8179-69.6170.269.681.3-12.2112.3L156 R157 S162 L163 G164 I165 S166 E168L156-R160 WeakPolarHBondContact O-CG 3.48Å; L156-R160 PolarHBondContact O-N 2.89Å; R157-R160 PolarHBondContact O-N 2.69Å; R160-S162 VanDerWaalsContact C-N 3.31Å; R160-S162 PolarHBondContact O-N 3.05Å; R160-L163 PolarHBondContact O-N 3.01Å; R160-L163 VanDerWaalsContact O-N 3.14Å; R160-G164 PolarHBondContact O-N 3.2Å; R160-I165 CarbonylContact C-O 3.55Å; R160-I165 HydrophobicContact CB-CB 4.2Å; R160-I165 HydrophobicContact CB-CG2 4.47Å; R160-I165 PolarHBondContact O-N 3.4Å; R160-S166 VanDerWaalsContact CZ-O 3.23Å; R160-S166 PolarHBondContact NE-O 3.44Å; R160-S166 PolarHBondContact NH2-O 3.13Å; R160-E168 PolarHBondContact NE-O 3.38Å; R160-E168 PolarHBondContact NH2-O 3.16Å
161I95.5Very high92.6Very high44 Ų4461.5 Ų61.523%0.22634%0.344CS..Hα-helixtrans-58.6-44.5176.5-68.3165.9000110.6R157 S158 V159 L163 G164 A167R157-I161 HydrophobicContact CG-CD1 4.15Å; R157-I161 VanDerWaalsContact O-CG1 3.31Å; R157-I161 WeakPolarHBondContact O-CG1 3.32Å; R157-I161 PolarHBondContact O-N 3.13Å; S158-I161 PolarHBondContact O-N 2.86Å; V159-I161 PolarHBondContact O-N 2.77Å; I161-L163 PolarHBondContact O-N 3.31Å; I161-G164 PolarHBondContact O-N 3.14Å; I161-A167 HydrophobicContact CD1-CB 4.09Å; I161-A167 HydrophobicContact CG1-CB 3.88Å
162S95.8Very high92.3Very high21 Ų2165.1 Ų65.115%0.14736%0.364CS..Hα-helixtrans-60.3-28.4179.883.80000113.1G52 V53 S158 V159 R160G52-S162 WeakPolarHBondContact CA-OG 3.32Å; V53-S162 PolarHBondContact N-OG 2.99Å; V53-S162 VanDerWaalsContact O-CB 3.29Å; V53-S162 WeakPolarHBondContact O-CB 3.31Å; S158-S162 WeakPolarHBondContact O-CB 3.48Å; S158-S162 PolarHBondContact O-N 3.02Å; V159-S162 WeakPolarHBondContact O-CB 3.33Å; V159-S162 PolarHBondContact O-N 2.93Å; V159-S162 PolarHBondContact O-OG 3.03Å; R160-S162 VanDerWaalsContact C-N 3.31Å; R160-S162 PolarHBondContact O-N 3.05Å
163L95.7Very high92.1Very high84 Ų8464.9 Ų64.944%0.4436%0.364SS..THydrogen-bonded Turntrans-93.33.3178.6-60.9175.6000113.5V53 V159 R160 I161 I165V53-L163 HydrophobicContact CB-CD2 4.36Å; V53-L163 HydrophobicContact CG2-CD2 4.09Å; V159-L163 HydrophobicContact CG1-CD1 4.21Å; V159-L163 WeakPolarHBondContact O-CG 3.28Å; V159-L163 PolarHBondContact O-N 3.35Å; R160-L163 PolarHBondContact O-N 3.01Å; R160-L163 VanDerWaalsContact O-N 3.14Å; I161-L163 PolarHBondContact O-N 3.31Å; L163-I165 HydrophobicContact CB-CD1 3.91Å; L163-I165 HydrophobicContact CB-CG1 4.01Å; L163-I165 HydrophobicContact CD1-CD1 4.14Å; L163-I165 PolarHBondContact O-N 2.9Å
164G93.4Very high91.8Very high74 Ų7463.9 Ų63.976%0.76335%0.351SS*.THydrogen-bonded Turntrans69.619.5-175.200000114.2R160 I161R160-G164 PolarHBondContact O-N 3.2Å; I161-G164 PolarHBondContact O-N 3.14Å
165I93.1Very high91.5Very high81 Ų8165.4 Ų65.442%0.41536%0.36SS..  trans-92.1143.9177-57172.1000108.6R160 L163 A167R160-I165 CarbonylContact C-O 3.55Å; R160-I165 HydrophobicContact CB-CB 4.2Å; R160-I165 HydrophobicContact CB-CG2 4.47Å; R160-I165 PolarHBondContact O-N 3.4Å; L163-I165 HydrophobicContact CB-CD1 3.91Å; L163-I165 HydrophobicContact CB-CG1 4.01Å; L163-I165 HydrophobicContact CD1-CD1 4.14Å; L163-I165 PolarHBondContact O-N 2.9Å; I165-A167 PolarHBondContact O-N 2.96Å
166S85.6Confident91.1Very high67 Ų6770.4 Ų70.447%0.46939%0.388SS..  trans-51.7136.9176.9-174.60000111.6R160 E168R160-S166 VanDerWaalsContact CZ-O 3.23Å; R160-S166 PolarHBondContact NE-O 3.44Å; R160-S166 PolarHBondContact NH2-O 3.13Å; S166-E168 PolarHBondContact O-N 2.84Å; S166-E168 PolarHBondContact OG-N 2.67Å
167A74.7Confident90.7Very high36 Ų3668.1 Ų68.130%0.29838%0.377SS..  trans-77.2-1.6-179.500000113.8R157 I161 I165R157-A167 HydrophobicContact CG-CB 3.82Å; I161-A167 HydrophobicContact CD1-CB 4.09Å; I161-A167 HydrophobicContact CG1-CB 3.88Å; I165-A167 PolarHBondContact O-N 2.96Å
168E67.3Low90.2Very high221 Ų22165.8 Ų65.8100%1.03338%0.38SS*.  trans-78.90173.9-61.6177.9166.300113.1R160 S166R160-E168 PolarHBondContact NE-O 3.38Å; R160-E168 PolarHBondContact NH2-O 3.16Å; S166-E168 PolarHBondContact O-N 2.84Å; S166-E168 PolarHBondContact OG-N 2.67Å

Retrieved 168 of 168 residues in 91.8 ms (Link to these results)

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