A0A096N9N6_PAPAN Loading...

Ubiquitin conjugating enzyme E2 V2

AlphaFold DB (Q15819), UniProt , Accession A0A096N9N6, Species PAPAN (Papio anubis, Olive baboon), Gene UBE2V2, Length 145 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
1M42.4Very low67.8Low236 Ų236111.5 Ų111.5100%1.16368%0.675SS**  0105.30-76.7-178-85.400107.4V3M1-V3 PolarHBondContact O-N 3.02Å; M1-V3 VanDerWaalsContact O-N 3.11Å
2A45.7Very low70.2Confident105 Ų105108 Ų10887%0.86865%0.65SS**  trans-71.1105.7173.100000106.9S4A2-S4 VanDerWaalsContact C-N 3.29Å; A2-S4 PolarHBondContact O-N 2.9Å
3V50.6Low72.1Confident122 Ų122110.2 Ų110.274%0.73965%0.646SS**  trans-62.4104.3164-175.70000103.9M1 T5M1-V3 PolarHBondContact O-N 3.02Å; M1-V3 VanDerWaalsContact O-N 3.11Å; V3-T5 PolarHBondContact O-N 3.18Å
4S49.3Very low73.8Confident104 Ų104105.4 Ų105.473%0.72761%0.611SS**  trans-56.797.1165.9148.70000105.3A2 G6A2-S4 VanDerWaalsContact C-N 3.29Å; A2-S4 PolarHBondContact O-N 2.9Å; S4-G6 PolarHBondContact O-N 3.02Å
5T54.4Low75.4Confident124 Ų12498.4 Ų98.476%0.76157%0.571SS**  trans-6875.9166.453.40000105.3V3 V7V3-T5 PolarHBondContact O-N 3.18Å; T5-V7 PolarHBondContact O-N 2.99Å
6G67.4Low76.8Confident56 Ų5697.8 Ų97.858%0.57756%0.564SS**  trans-54.9114.4-178.400000106.9S4 K8S4-G6 PolarHBondContact O-N 3.02Å; G6-K8 PolarHBondContact O-N 3.23Å
7V76.4Confident78Confident133 Ų13397.9 Ų97.981%0.80656%0.558SS**  trans-57.7113.7178.8175.30000106.6T5 V9T5-V7 PolarHBondContact O-N 2.99Å; V7-V9 PolarHBondContact O-N 2.56Å
8K82.9Confident79Confident148 Ų14892.7 Ų92.764%0.64353%0.528SS*.  trans-77.4107.5177.7-175.8179.2177.9-179.10107.8G6 E75G6-K8 PolarHBondContact O-N 3.23Å; K8-E75 WeakPolarHBondContact CE-OE1 3.47Å; K8-E75 IonicContact NZ-OE1 3.72Å; K8-E75 PolarHBondContact NZ-OE1 3.4Å; K8-E75 IonicContact NZ-OE2 2.59Å
9V87.8Confident80Confident84 Ų8488.7 Ų88.751%0.50951%0.505SS..  trans-60.3126.8174.1-179.80000108.4V7 F13V7-V9 PolarHBondContact O-N 2.56Å; V9-F13 HydrophobicContact CG1-CB 3.73Å
10P93.6Very high80.9Confident73 Ų7389.1 Ų89.147%0.47450%0.502SS..  trans-64.6147.7177.9-17.128.5000111.3N12 F13 R14P10-N12 VanDerWaalsContact C-N 3.27Å; P10-N12 PolarHBondContact O-N 3.07Å; P10-N12 VanDerWaalsContact O-N 3.14Å; P10-F13 HydrophobicContact CB-CD2 3.92Å; P10-F13 HydrophobicContact CG-CD2 3.73Å; P10-F13 HydrophobicContact CG-CE2 4.18Å; P10-F13 PolarHBondContact O-N 2.74Å; P10-R14 PolarHBondContact O-N 2.67Å
11R95.7Very high81.6Confident42 Ų4287.5 Ų87.516%0.15849%0.491CS..Hα-helixtrans-46.3-47.2-178.6171.3177.9170.9-71.11.6113.4F13 R14 L15 T42 T44 C69 G70 Y73R11-F13 PolarHBondContact O-N 3.04Å; R11-R14 WeakPolarHBondContact O-CB 3.27Å; R11-R14 PolarHBondContact O-N 2.88Å; R11-L15 HydrophobicContact CG-CD1 3.65Å; R11-L15 HydrophobicContact CG-CG 4.41Å; R11-L15 WeakPolarHBondContact O-CG 3.34Å; R11-L15 PolarHBondContact O-N 3.2Å; R11-T42 PolarHBondContact NH1-O 3.06Å; R11-T42 PolarHBondContact NH2-O 3.28Å; R11-T44 PolarHBondContact NH2-OG1 3.34Å; R11-T44 VanDerWaalsContact NH2-OG1 3.15Å; R11-C69 PolarHBondContact NH2-O 2.75Å; R11-G70 PolarHBondContact NE-O 2.91Å; R11-Y73 WeakPolarHBondContact CB-O 3.38Å; R11-Y73 WeakPolarHBondContact CD-O 3.47Å; R11-Y73 WeakPolarHBondContact CG-O 3.43Å
12N95.9Very high84.2Confident69 Ų6976.8 Ų76.837%0.36944%0.441SS..Hα-helixtrans-66.1-37-176.8-74.118.5000112.3P10 R14 L15 L16 L43P10-N12 VanDerWaalsContact C-N 3.27Å; P10-N12 PolarHBondContact O-N 3.07Å; P10-N12 VanDerWaalsContact O-N 3.14Å; N12-R14 VanDerWaalsContact C-N 3.34Å; N12-L15 PolarHBondContact O-N 3.45Å; N12-L16 WeakPolarHBondContact O-CB 3.34Å; N12-L16 VanDerWaalsContact O-CG 3.23Å; N12-L16 WeakPolarHBondContact O-CG 3.3Å; N12-L16 PolarHBondContact O-N 2.97Å; N12-L43 HydrophobicContact CB-CD1 4.38Å
13F95.7Very high86.5Confident136 Ų13678.4 Ų78.460%0.59643%0.431SS*.Hα-helixtrans-64.3-42.6175.3-76.9-86.8000111.2V9 P10 R11 L15 L16 E17V9-F13 HydrophobicContact CG1-CB 3.73Å; P10-F13 HydrophobicContact CB-CD2 3.92Å; P10-F13 HydrophobicContact CG-CD2 3.73Å; P10-F13 HydrophobicContact CG-CE2 4.18Å; P10-F13 PolarHBondContact O-N 2.74Å; R11-F13 PolarHBondContact O-N 3.04Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 3.29Å; F13-L16 PolarHBondContact O-N 2.84Å; F13-E17 PolarHBondContact O-N 3.14Å
14R96.2Very high88.5Confident44 Ų4479.3 Ų79.317%0.16642%0.424CS..Hα-helixtrans-58.2-45.9173.5172.159174.6-143.7-5.3111.7P10 R11 N12 E17 E18 Y73 P74 S112 Y113P10-R14 PolarHBondContact O-N 2.67Å; R11-R14 WeakPolarHBondContact O-CB 3.27Å; R11-R14 PolarHBondContact O-N 2.88Å; N12-R14 VanDerWaalsContact C-N 3.34Å; R14-E17 WeakPolarHBondContact O-CB 3.23Å; R14-E17 PolarHBondContact O-N 3.21Å; R14-E18 IonicContact CZ-OE1 3.6Å; R14-E18 IonicContact NE-OE1 3.2Å; R14-E18 PolarHBondContact NE-OE1 3.38Å; R14-E18 IonicContact NH2-OE1 3.99Å; R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.42Å; R14-E18 VanDerWaalsContact O-N 3.09Å; R14-Y73 HydrophobicContact CG-CE1 4.15Å; R14-P74 HydrophobicContact CG-CB 4.45Å; R14-P74 HydrophobicContact CG-CG 4.13Å; R14-S112 PolarHBondContact NH2-O 3.29Å; R14-Y113 PolarHBondContact NH2-O 3.43Å
15L97.8Very high90.5Very high0 Ų076.9 Ų76.90%042%0.416CS..Hα-helixtrans-71.7-33.4-178.6-72.9169000112.9R11 N12 F13 E18 L19 L43 W46 C69 Y73R11-L15 HydrophobicContact CG-CD1 3.65Å; R11-L15 HydrophobicContact CG-CG 4.41Å; R11-L15 WeakPolarHBondContact O-CG 3.34Å; R11-L15 PolarHBondContact O-N 3.2Å; N12-L15 PolarHBondContact O-N 3.45Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 3.29Å; L15-E18 PolarHBondContact O-N 3.02Å; L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 PolarHBondContact O-N 3.29Å; L15-L43 HydrophobicContact CB-CB 3.95Å; L15-L43 HydrophobicContact CB-CD1 3.8Å; L15-L43 HydrophobicContact CD1-CB 3.97Å; L15-L43 WeakPolarHBondContact CD1-O 3.49Å; L15-W46 HydrophobicContact CB-CZ2 4.15Å; L15-W46 HydrophobicContact CD2-CZ2 3.91Å; L15-W46 WeakPolarHBondContact O-CH2 3.3Å; L15-C69 HydrophobicContact CD1-CB 4.28Å; L15-C69 HydrophobicContact CD2-CB 3.87Å; L15-Y73 HydrophobicContact CD1-CD1 4.39Å; L15-Y73 HydrophobicContact CD2-CD1 3.63Å; L15-Y73 HydrophobicContact CD2-CE1 3.51Å; L15-Y73 HydrophobicContact CG-CD1 4.02Å; L15-Y73 HydrophobicContact CG-CE1 4.19Å
16L97Very high91.9Very high88 Ų8873.8 Ų73.846%0.46140%0.397SS..Hα-helixtrans-64.7-41172.5-75169.1000111.7N12 F13 E18 L19 E20 L43N12-L16 WeakPolarHBondContact O-CB 3.34Å; N12-L16 VanDerWaalsContact O-CG 3.23Å; N12-L16 WeakPolarHBondContact O-CG 3.3Å; N12-L16 PolarHBondContact O-N 2.97Å; F13-L16 PolarHBondContact O-N 2.84Å; L16-E18 VanDerWaalsContact C-N 3.35Å; L16-L19 WeakPolarHBondContact O-CB 3.45Å; L16-L19 PolarHBondContact O-N 3.01Å; L16-E20 WeakPolarHBondContact O-CB 3.4Å; L16-E20 PolarHBondContact O-N 3.45Å; L16-L43 HydrophobicContact CD2-CD1 3.91Å; L16-L43 HydrophobicContact CD2-CD2 4.49Å; L16-L43 HydrophobicContact CG-CD1 3.75Å
17E96.6Very high92.9Very high100 Ų10073.6 Ų73.647%0.46739%0.394SS..Hα-helixtrans-59.8-46.3173-177.4-178.5-165.600110.8F13 R14 L19 E20 E21F13-E17 PolarHBondContact O-N 3.14Å; R14-E17 WeakPolarHBondContact O-CB 3.23Å; R14-E17 PolarHBondContact O-N 3.21Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.59Å; E17-E20 PolarHBondContact O-N 3.07Å; E17-E21 PolarHBondContact O-N 2.86Å
18E97.7Very high93.7Very high4 Ų472 Ų722%0.01938%0.381CS..Hα-helixtrans-65.6-32.8176.3-67.9-172.8-135.400112.9R14 L15 L16 G22 W33 Y73 S114 I115R14-E18 IonicContact CZ-OE1 3.6Å; R14-E18 IonicContact NE-OE1 3.2Å; R14-E18 PolarHBondContact NE-OE1 3.38Å; R14-E18 IonicContact NH2-OE1 3.99Å; R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.42Å; R14-E18 VanDerWaalsContact O-N 3.09Å; L15-E18 PolarHBondContact O-N 3.02Å; L16-E18 VanDerWaalsContact C-N 3.35Å; E18-G22 PolarHBondContact O-N 3.24Å; E18-G22 VanDerWaalsContact O-N 3.1Å; E18-W33 PolarHBondContact O-NE1 2.94Å; E18-Y73 VanDerWaalsContact CD-OH 3.24Å; E18-Y73 WeakPolarHBondContact OE1-CE1 3.37Å; E18-Y73 PolarHBondContact OE1-OH 3.21Å; E18-Y73 PolarHBondContact OE2-OH 2.8Å; E18-Y73 VanDerWaalsContact OE2-OH 3.05Å; E18-S114 VanDerWaalsContact CD-CB 3.47Å; E18-S114 WeakPolarHBondContact OE2-CA 3.37Å; E18-S114 VanDerWaalsContact OE2-CB 3.24Å; E18-S114 WeakPolarHBondContact OE2-CB 3.5Å; E18-I115 WeakPolarHBondContact OE2-CG1 3.5Å; E18-I115 PolarHBondContact OE2-N 3.3Å
19L97.5Very high94.2Very high18 Ų1867.5 Ų67.59%0.09438%0.377CS..Hα-helixtrans-64.5-47173.5-175.755000110.9L15 L16 E17 E21 G22 Q23 L35 W46L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 PolarHBondContact O-N 3.29Å; L16-L19 WeakPolarHBondContact O-CB 3.45Å; L16-L19 PolarHBondContact O-N 3.01Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 2.59Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 2.97Å; L19-G22 PolarHBondContact O-N 2.57Å; L19-G22 VanDerWaalsContact O-N 3.15Å; L19-Q23 HydrophobicContact CD1-CG 4.23Å; L19-Q23 HydrophobicContact CG-CG 4.42Å; L19-Q23 WeakPolarHBondContact O-CG 3.35Å; L19-Q23 PolarHBondContact O-N 3.46Å; L19-L35 HydrophobicContact CD1-CD1 4.48Å; L19-L35 HydrophobicContact CD1-CG 4Å; L19-L35 HydrophobicContact CD2-CD1 3.85Å; L19-L35 HydrophobicContact CD2-CG 4.22Å; L19-W46 HydrophobicContact CB-CH2 3.62Å; L19-W46 HydrophobicContact CB-CZ3 4.05Å; L19-W46 HydrophobicContact CD1-CH2 4.05Å; L19-W46 HydrophobicContact CD1-CZ3 3.72Å; L19-W46 HydrophobicContact CG-CH2 4.37Å; L19-W46 HydrophobicContact CG-CZ3 4.48Å
20E97Very high94.6Very high95 Ų9564.6 Ų64.644%0.44436%0.36SS..Hα-helixtrans-61.6-41.5179.6-174.8178.8-170.800111.2L16 E17 G22 Q23 K24L16-E20 WeakPolarHBondContact O-CB 3.4Å; L16-E20 PolarHBondContact O-N 3.45Å; E17-E20 PolarHBondContact O-N 3.07Å; E20-G22 PolarHBondContact O-N 3.01Å; E20-Q23 PolarHBondContact O-N 2.94Å; E20-K24 VanDerWaalsContact CD-NZ 3.32Å; E20-K24 HydrophobicContact CG-CD 4.08Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 VanDerWaalsContact O-CG 3.3Å; E20-K24 WeakPolarHBondContact O-CG 3.38Å; E20-K24 PolarHBondContact O-N 2.68Å; E20-K24 WeakPolarHBondContact OE1-CE 3.19Å; E20-K24 IonicContact OE1-NZ 2.79Å; E20-K24 PolarHBondContact OE1-NZ 3.15Å
21E96.9Very high94.8Very high57 Ų5761.7 Ų61.727%0.26634%0.34SS..Hα-helixtrans-60.5-43.2173-73.1-168.1171.700112.5E17 L19 G25 V26 W33E17-E21 PolarHBondContact O-N 2.86Å; L19-E21 VanDerWaalsContact C-N 3.32Å; L19-E21 PolarHBondContact O-N 2.97Å; E21-G25 PolarHBondContact O-N 2.94Å; E21-V26 HydrophobicContact CB-CB 4.36Å; E21-V26 HydrophobicContact CB-CG2 4.2Å; E21-V26 HydrophobicContact CG-CG2 4.42Å; E21-V26 WeakPolarHBondContact O-CG2 3.42Å; E21-V26 PolarHBondContact O-N 2.74Å; E21-W33 HydrophobicContact CB-CZ2 3.82Å
22G95.8Very high94.9Very high11 Ų1162.4 Ų62.411%0.11335%0.352CS..Hα-helixtrans-62.7-47177.700000112.1E18 L19 E20 K24 G25E18-G22 PolarHBondContact O-N 3.24Å; E18-G22 VanDerWaalsContact O-N 3.1Å; L19-G22 PolarHBondContact O-N 2.57Å; L19-G22 VanDerWaalsContact O-N 3.15Å; E20-G22 PolarHBondContact O-N 3.01Å; G22-K24 PolarHBondContact O-N 2.83Å; G22-G25 PolarHBondContact O-N 2.81Å; G22-G25 VanDerWaalsContact O-N 3.09Å
23Q93.8Very high95Very high139 Ų13959.8 Ų59.865%0.6534%0.337SS*.Hα-helixtrans-66.6-35.1179.5-72.3177.1-18.800113.1L19 E20 G25L19-Q23 HydrophobicContact CD1-CG 4.23Å; L19-Q23 HydrophobicContact CG-CG 4.42Å; L19-Q23 WeakPolarHBondContact O-CG 3.35Å; L19-Q23 PolarHBondContact O-N 3.46Å; E20-Q23 PolarHBondContact O-N 2.94Å; Q23-G25 PolarHBondContact O-N 3.26Å
24K94.4Very high95.1Very high140 Ų14054.2 Ų54.261%0.60932%0.317SS*.THydrogen-bonded Turntrans-74.3-8.6174.1-73.1176.8-176.5172.40113.3E20 G22 V26E20-K24 VanDerWaalsContact CD-NZ 3.32Å; E20-K24 HydrophobicContact CG-CD 4.08Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 VanDerWaalsContact O-CG 3.3Å; E20-K24 WeakPolarHBondContact O-CG 3.38Å; E20-K24 PolarHBondContact O-N 2.68Å; E20-K24 WeakPolarHBondContact OE1-CE 3.19Å; E20-K24 IonicContact OE1-NZ 2.79Å; E20-K24 PolarHBondContact OE1-NZ 3.15Å; G22-K24 PolarHBondContact O-N 2.83Å; K24-V26 HydrophobicContact CB-CG2 3.92Å
25G89.7Confident95.2Very high53 Ų5353.1 Ų53.155%0.54632%0.315SS..THydrogen-bonded Turntrans66.337-176.900000112.9E21 G22 Q23 G27E21-G25 PolarHBondContact O-N 2.94Å; G22-G25 PolarHBondContact O-N 2.81Å; G22-G25 VanDerWaalsContact O-N 3.09Å; Q23-G25 PolarHBondContact O-N 3.26Å; G25-G27 PolarHBondContact O-N 3.21Å
26V84.7Confident95.1Very high60 Ų6057.4 Ų57.436%0.36434%0.335SS..  trans-67.1116.3-176.7-176.70000110.9E21 K24 K116E21-V26 HydrophobicContact CB-CB 4.36Å; E21-V26 HydrophobicContact CB-CG2 4.2Å; E21-V26 HydrophobicContact CG-CG2 4.42Å; E21-V26 WeakPolarHBondContact O-CG2 3.42Å; E21-V26 PolarHBondContact O-N 2.74Å; K24-V26 HydrophobicContact CB-CG2 3.92Å; V26-K116 WeakPolarHBondContact O-CE 3.37Å; V26-K116 PolarHBondContact O-NZ 2.97Å
27G87.4Confident95.1Very high51 Ų5156.4 Ų56.453%0.52633%0.33SS..SBendtrans145.9-155.417700000112G25 G29G25-G27 PolarHBondContact O-N 3.21Å; G27-G29 VanDerWaalsContact C-N 3.34Å
28D92.8Very high94.8Very high99 Ų9958 Ų5853%0.52934%0.342SS..SBendtrans-93.49.1175.966.5-6.5000112.9T30 R123D28-T30 HydrophobicContact CB-CG2 4.49Å; D28-T30 VanDerWaalsContact CG-OG1 3.23Å; D28-T30 PolarHBondContact O-N 2.76Å; D28-T30 WeakPolarHBondContact OD1-CB 3.26Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.34Å; D28-T30 PolarHBondContact OD1-N 2.77Å; D28-T30 PolarHBondContact OD1-OG1 3.01Å; D28-T30 WeakPolarHBondContact OD2-CG2 3.15Å; D28-T30 PolarHBondContact OD2-OG1 3.42Å; D28-R123 IonicContact OD2-NH1 3.76Å
29G93.8Very high94.6Very high54 Ų5466 Ų6656%0.55738%0.379SS*.SBendtrans73.73.2-177.200000114.8G27 I51G27-G29 VanDerWaalsContact C-N 3.34Å; G29-I51 WeakPolarHBondContact O-CD1 3.18Å
30T96.7Very high94.3Very high23 Ų2365.9 Ų65.914%0.14138%0.379CS..SBendtrans-88-13-177.669.30000113.9D28 I51 R123D28-T30 HydrophobicContact CB-CG2 4.49Å; D28-T30 VanDerWaalsContact CG-OG1 3.23Å; D28-T30 PolarHBondContact O-N 2.76Å; D28-T30 WeakPolarHBondContact OD1-CB 3.26Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.34Å; D28-T30 PolarHBondContact OD1-N 2.77Å; D28-T30 PolarHBondContact OD1-OG1 3.01Å; D28-T30 WeakPolarHBondContact OD2-CG2 3.15Å; D28-T30 PolarHBondContact OD2-OG1 3.42Å; T30-I51 PolarHBondContact O-N 2.85Å; T30-R123 VanDerWaalsContact CB-NE 3.35Å; T30-R123 WeakPolarHBondContact OG1-CD 3.49Å; T30-R123 VanDerWaalsContact OG1-CZ 3.29Å; T30-R123 PolarHBondContact OG1-NE 3.05Å; T30-R123 PolarHBondContact OG1-NH1 2.85Å; T30-R123 VanDerWaalsContact OG1-NH1 3.15Å
31V98.1Very high94.1Very high12 Ų1269.4 Ų69.47%0.07340%0.397CS..EExtended strand (participates in β ladder)trans-134.9146.5171.1-57.30000109.3W33 M49 I50 L119 Q120 R123V31-W33 HydrophobicContact CG2-CZ3 4.21Å; V31-M49 VanDerWaalsContact CA-O 3.26Å; V31-M49 WeakPolarHBondContact CA-O 3.33Å; V31-I50 HydrophobicContact CG1-CG1 4.04Å; V31-I50 HydrophobicContact CG1-CG2 4.43Å; V31-L119 HydrophobicContact CB-CB 4Å; V31-L119 HydrophobicContact CG1-CB 4.06Å; V31-L119 HydrophobicContact CG2-CB 4.34Å; V31-Q120 HydrophobicContact CG2-CG 3.95Å; V31-R123 HydrophobicContact CG1-CB 4.37Å
32S97.9Very high94Very high57 Ų5770 Ų7040%0.39941%0.405SS..EExtended strand (participates in β ladder)trans-144.1157.1173.859.20000110G48 M49 L119S32-G48 CarbonylContact O-C 3.47Å; S32-G48 WeakPolarHBondContact O-CA 3.43Å; S32-M49 PolarHBondContact N-O 2.74Å; S32-M49 PolarHBondContact O-N 3.46Å; S32-L119 WeakPolarHBondContact O-CD1 3.37Å
33W98.1Very high94.1Very high15 Ų1570 Ų706%0.05740%0.402CS..EExtended strand (participates in β ladder)trans-153.1155.5177.56297.1000110.7E18 E21 V31 W46 T47 I115 K116 L119E18-W33 PolarHBondContact O-NE1 2.94Å; E21-W33 HydrophobicContact CB-CZ2 3.82Å; V31-W33 HydrophobicContact CG2-CZ3 4.21Å; W33-W46 AromaticContact CD1-CE3 3.95Å; W33-W46 AromaticContact CD1-CZ3 3.83Å; W33-T47 CarbonylContact C-O 3.58Å; W33-T47 VanDerWaalsContact CA-O 3.23Å; W33-T47 WeakPolarHBondContact CA-O 3.46Å; W33-I115 HydrophobicContact CB-CG2 3.87Å; W33-I115 HydrophobicContact CD2-CG2 4.33Å; W33-I115 HydrophobicContact CG-CB 4.45Å; W33-I115 HydrophobicContact CG-CG2 3.72Å; W33-K116 HydrophobicContact CE3-CB 4.4Å; W33-K116 HydrophobicContact CH2-CB 3.49Å; W33-K116 VanDerWaalsContact CH2-CB 3.49Å; W33-K116 HydrophobicContact CH2-CD 3.63Å; W33-K116 HydrophobicContact CH2-CG 3.47Å; W33-K116 VanDerWaalsContact CH2-CG 3.47Å; W33-K116 HydrophobicContact CZ2-CB 3.73Å; W33-K116 HydrophobicContact CZ2-CD 4.28Å; W33-K116 HydrophobicContact CZ2-CG 4.21Å; W33-K116 HydrophobicContact CZ3-CB 3.84Å; W33-K116 HydrophobicContact CZ3-CD 4.34Å; W33-K116 HydrophobicContact CZ3-CG 3.74Å; W33-L119 HydrophobicContact CB-CD1 3.88Å; W33-L119 HydrophobicContact CD2-CD1 4.42Å; W33-L119 HydrophobicContact CE3-CD1 4Å; W33-L119 HydrophobicContact CG-CD1 4.4Å
34G97.7Very high94.3Very high18 Ų1864.7 Ų64.719%0.18638%0.379CS..EExtended strand (participates in β ladder)trans-164.9174.9176.400000110.6W46 T47G34-W46 VanDerWaalsContact C-CE3 3.44Å; G34-W46 CarbonylContact O-C 3.54Å; G34-W46 VanDerWaalsContact O-CA 3.27Å; G34-W46 WeakPolarHBondContact O-CA 3.36Å; G34-T47 PolarHBondContact N-O 2.82Å; G34-T47 PolarHBondContact O-N 3.1Å
35L97.8Very high94.5Very high22 Ų2263 Ų6312%0.11537%0.369CS..EExtended strand (participates in β ladder)trans-63.8147.4174.4-67.5175.3000110.3L19 D37 L43 W46L19-L35 HydrophobicContact CD1-CD1 4.48Å; L19-L35 HydrophobicContact CD1-CG 4Å; L19-L35 HydrophobicContact CD2-CD1 3.85Å; L19-L35 HydrophobicContact CD2-CG 4.22Å; L35-D37 VanDerWaalsContact C-N 3.33Å; L35-L43 HydrophobicContact CD1-CD2 3.67Å; L35-L43 HydrophobicContact CD2-CB 4.34Å; L35-L43 HydrophobicContact CD2-CD2 3.97Å; L35-L43 HydrophobicContact CG-CD2 4.39Å; L35-W46 HydrophobicContact CD2-CD2 3.91Å; L35-W46 HydrophobicContact CD2-CE3 4.25Å; L35-W46 HydrophobicContact CD2-CG 4.48Å; L35-W46 HydrophobicContact CD2-CH2 4.21Å; L35-W46 HydrophobicContact CD2-CZ2 3.81Å; L35-W46 HydrophobicContact CD2-CZ3 4.39Å
36E96.8Very high94.9Very high89 Ų8960.5 Ų60.542%0.41634%0.343SS..SBendtrans-72.3-33.6169.1174.6169.4-150.100111.8R45 K66E36-R45 HydrophobicContact CB-CB 4.18Å; E36-R45 PolarHBondContact N-O 2.89Å; E36-R45 IonicContact OE2-NE 2.94Å; E36-K66 WeakPolarHBondContact OE1-CE 2.94Å; E36-K66 IonicContact OE1-NZ 3.83Å; E36-K66 PolarHBondContact OE1-NZ 3.35Å; E36-K66 IonicContact OE2-NZ 3.76Å
37D95.3Very high95.6Very high68 Ų6859 Ų5936%0.36433%0.334SS..  trans-136114.9179.7177.56.2000107.7L35 E39 D40L35-D37 VanDerWaalsContact C-N 3.33Å; D37-E39 PolarHBondContact O-N 2.97Å; D37-E39 WeakPolarHBondContact OD1-CB 3.27Å; D37-E39 PolarHBondContact OD1-N 3.09Å; D37-D40 HydrophobicContact CB-CB 4.34Å; D37-D40 WeakPolarHBondContact O-CB 3.46Å; D37-D40 PolarHBondContact O-N 2.9Å
38D91.2Very high96.1Very high134 Ų13456.6 Ų56.672%0.71731%0.309SS*.THydrogen-bonded Turntrans-66.7-13.7-178.3-69.4-29.4000112.3
39E93.1Very high96.4Very high170 Ų17056 Ų5679%0.79430%0.304SS*.THydrogen-bonded Turntrans-88.4-5.6174.1-56.8-172.5171.100112.9D37 M41D37-E39 PolarHBondContact O-N 2.97Å; D37-E39 WeakPolarHBondContact OD1-CB 3.27Å; D37-E39 PolarHBondContact OD1-N 3.09Å; E39-M41 PolarHBondContact O-N 3.46Å
40D92.5Very high96.6Very high17 Ų1753.4 Ų53.49%0.09128%0.278CS..  trans-71.789.1177.6-178.116.2000112D37 T42 L43 T44 R45D37-D40 HydrophobicContact CB-CB 4.34Å; D37-D40 WeakPolarHBondContact O-CB 3.46Å; D37-D40 PolarHBondContact O-N 2.9Å; D40-T42 VanDerWaalsContact CG-OG1 3.3Å; D40-T42 PolarHBondContact O-N 3.5Å; D40-T42 VanDerWaalsContact O-N 3.07Å; D40-T42 WeakPolarHBondContact OD1-CA 3.45Å; D40-T42 VanDerWaalsContact OD1-CB 3.27Å; D40-T42 WeakPolarHBondContact OD1-CB 3.43Å; D40-T42 PolarHBondContact OD1-N 3.15Å; D40-T42 PolarHBondContact OD1-OG1 2.97Å; D40-T42 PolarHBondContact OD2-OG1 3.37Å; D40-L43 PolarHBondContact O-N 2.85Å; D40-T44 PolarHBondContact OD2-N 3.09Å; D40-R45 PolarHBondContact OD2-N 3.48Å
41M92.7Very high96.7Very high168 Ų16856 Ų5683%0.82829%0.29SS*.THydrogen-bonded Turntrans-61.5-15.8174.1-63.6-172.9-71.600113.8E39 L43E39-M41 PolarHBondContact O-N 3.46Å; M41-L43 VanDerWaalsContact C-N 3.31Å
42T94.8Very high96.6Very high70 Ų7055.7 Ų55.743%0.42929%0.289SS..THydrogen-bonded Turntrans-81.9-13.5176.277.60000112.4R11 D40 T44R11-T42 PolarHBondContact NH1-O 3.06Å; R11-T42 PolarHBondContact NH2-O 3.28Å; D40-T42 VanDerWaalsContact CG-OG1 3.3Å; D40-T42 PolarHBondContact O-N 3.5Å; D40-T42 VanDerWaalsContact O-N 3.07Å; D40-T42 WeakPolarHBondContact OD1-CA 3.45Å; D40-T42 VanDerWaalsContact OD1-CB 3.27Å; D40-T42 WeakPolarHBondContact OD1-CB 3.43Å; D40-T42 PolarHBondContact OD1-N 3.15Å; D40-T42 PolarHBondContact OD1-OG1 2.97Å; D40-T42 PolarHBondContact OD2-OG1 3.37Å; T42-T44 WeakPolarHBondContact CB-OG1 3.41Å; T42-T44 PolarHBondContact O-N 3.45Å; T42-T44 PolarHBondContact O-OG1 3.01Å; T42-T44 VanDerWaalsContact OG1-CB 3.3Å; T42-T44 WeakPolarHBondContact OG1-CB 3.46Å; T42-T44 PolarHBondContact OG1-OG1 3.14Å
43L97.5Very high96.7Very high11 Ų1153 Ų536%0.05827%0.27CS..  trans52.836.9-179.4-51.2171.7000111.6N12 L15 L16 L35 D40 M41 W46N12-L43 HydrophobicContact CB-CD1 4.38Å; L15-L43 HydrophobicContact CB-CB 3.95Å; L15-L43 HydrophobicContact CB-CD1 3.8Å; L15-L43 HydrophobicContact CD1-CB 3.97Å; L15-L43 WeakPolarHBondContact CD1-O 3.49Å; L16-L43 HydrophobicContact CD2-CD1 3.91Å; L16-L43 HydrophobicContact CD2-CD2 4.49Å; L16-L43 HydrophobicContact CG-CD1 3.75Å; L35-L43 HydrophobicContact CD1-CD2 3.67Å; L35-L43 HydrophobicContact CD2-CB 4.34Å; L35-L43 HydrophobicContact CD2-CD2 3.97Å; L35-L43 HydrophobicContact CG-CD2 4.39Å; D40-L43 PolarHBondContact O-N 2.85Å; M41-L43 VanDerWaalsContact C-N 3.31Å; L43-W46 HydrophobicContact CB-CZ2 4.34Å; L43-W46 PolarHBondContact O-NE1 3.04Å
44T97.7Very high96.6Very high27 Ų2755.6 Ų55.617%0.16629%0.289CS..  trans-92.7-42.1-168.3-62.80000111.2R11 D40 T42 E68 C69R11-T44 PolarHBondContact NH2-OG1 3.34Å; R11-T44 VanDerWaalsContact NH2-OG1 3.15Å; D40-T44 PolarHBondContact OD2-N 3.09Å; T42-T44 WeakPolarHBondContact CB-OG1 3.41Å; T42-T44 PolarHBondContact O-N 3.45Å; T42-T44 PolarHBondContact O-OG1 3.01Å; T42-T44 VanDerWaalsContact OG1-CB 3.3Å; T42-T44 WeakPolarHBondContact OG1-CB 3.46Å; T42-T44 PolarHBondContact OG1-OG1 3.14Å; T44-E68 HydrophobicContact CG2-CG 3.76Å; T44-E68 CarbonylContact O-C 3.57Å; T44-E68 WeakPolarHBondContact O-CA 3.41Å; T44-C69 PolarHBondContact O-N 2.95Å
45R98.4Very high96.6Very high105 Ų10565 Ų6540%0.39632%0.319SS..EExtended strand (participates in β ladder)trans-105.6126.5-174.1-65.3-173.6-59.6-75.8-5.8111.6E36 D40E36-R45 HydrophobicContact CB-CB 4.18Å; E36-R45 PolarHBondContact N-O 2.89Å; E36-R45 IonicContact OE2-NE 2.94Å; D40-R45 PolarHBondContact OD2-N 3.48Å
46W98.6Very high96.6Very high1 Ų164.7 Ų64.70%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-127.6149.6-175.4-6275.9000110.4L15 L19 W33 G34 L35 L43 K66 V67 I115L15-W46 HydrophobicContact CB-CZ2 4.15Å; L15-W46 HydrophobicContact CD2-CZ2 3.91Å; L15-W46 WeakPolarHBondContact O-CH2 3.3Å; L19-W46 HydrophobicContact CB-CH2 3.62Å; L19-W46 HydrophobicContact CB-CZ3 4.05Å; L19-W46 HydrophobicContact CD1-CH2 4.05Å; L19-W46 HydrophobicContact CD1-CZ3 3.72Å; L19-W46 HydrophobicContact CG-CH2 4.37Å; L19-W46 HydrophobicContact CG-CZ3 4.48Å; W33-W46 AromaticContact CD1-CE3 3.95Å; W33-W46 AromaticContact CD1-CZ3 3.83Å; G34-W46 VanDerWaalsContact C-CE3 3.44Å; G34-W46 CarbonylContact O-C 3.54Å; G34-W46 VanDerWaalsContact O-CA 3.27Å; G34-W46 WeakPolarHBondContact O-CA 3.36Å; L35-W46 HydrophobicContact CD2-CD2 3.91Å; L35-W46 HydrophobicContact CD2-CE3 4.25Å; L35-W46 HydrophobicContact CD2-CG 4.48Å; L35-W46 HydrophobicContact CD2-CH2 4.21Å; L35-W46 HydrophobicContact CD2-CZ2 3.81Å; L35-W46 HydrophobicContact CD2-CZ3 4.39Å; L43-W46 HydrophobicContact CB-CZ2 4.34Å; L43-W46 PolarHBondContact O-NE1 3.04Å; W46-K66 WeakPolarHBondContact O-CA 3.35Å; W46-V67 HydrophobicContact CB-CB 4.07Å; W46-V67 WeakPolarHBondContact CB-O 3.14Å; W46-V67 PolarHBondContact N-O 3.3Å; W46-V67 PolarHBondContact O-N 2.73Å; W46-I115 HydrophobicContact CB-CD1 4.43Å; W46-I115 HydrophobicContact CD2-CD1 3.49Å; W46-I115 VanDerWaalsContact CD2-CD1 3.49Å; W46-I115 HydrophobicContact CE3-CD1 3.78Å; W46-I115 HydrophobicContact CG-CD1 3.79Å; W46-I115 HydrophobicContact CH2-CD1 4.32Å; W46-I115 HydrophobicContact CZ2-CD1 4.14Å; W46-I115 HydrophobicContact CZ3-CD1 4.18Å
47T98.2Very high96.6Very high29 Ų2964 Ų6418%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-107.5127.2167.2-600000108.7W33 G34 L65 K66W33-T47 CarbonylContact C-O 3.58Å; W33-T47 VanDerWaalsContact CA-O 3.23Å; W33-T47 WeakPolarHBondContact CA-O 3.46Å; G34-T47 PolarHBondContact N-O 2.82Å; G34-T47 PolarHBondContact O-N 3.1Å; T47-L65 CarbonylContact C-O 3.54Å; T47-L65 WeakPolarHBondContact CA-O 3.41Å; T47-K66 PolarHBondContact OG1-NZ 3.43Å; T47-K66 VanDerWaalsContact OG1-NZ 3.14Å
48G98.4Very high96.8Very high0 Ų060.8 Ų60.80%030%0.3CS..EExtended strand (participates in β ladder)trans-107.7152.117200000111.2S32 S64 L65S32-G48 CarbonylContact O-C 3.47Å; S32-G48 WeakPolarHBondContact O-CA 3.43Å; G48-S64 CarbonylContact O-C 3.56Å; G48-S64 WeakPolarHBondContact O-CA 3.48Å; G48-L65 PolarHBondContact N-O 3.49Å; G48-L65 PolarHBondContact O-N 3.2Å
49M98.2Very high97.1Very high85 Ų8558 Ų5842%0.41928%0.282SS..EExtended strand (participates in β ladder)trans-130.1142.1170.8-58.3-172.7179.900110.4V31 S32 I62 Y63V31-M49 VanDerWaalsContact CA-O 3.26Å; V31-M49 WeakPolarHBondContact CA-O 3.33Å; S32-M49 PolarHBondContact N-O 2.74Å; S32-M49 PolarHBondContact O-N 3.46Å; M49-I62 HydrophobicContact CB-CG2 4.41Å; M49-I62 HydrophobicContact SD-CG2 4.43Å; M49-Y63 CarbonylContact C-O 3.6Å; M49-Y63 VanDerWaalsContact CA-O 3.31Å; M49-Y63 WeakPolarHBondContact CA-O 3.23Å
50I98.6Very high97.1Very high0 Ų056.6 Ų56.60%028%0.28CS..EExtended strand (participates in β ladder)trans-127.3124.4173.9-61175.3000108.4V31 Y63 L65 L119 L122 R123 M126V31-I50 HydrophobicContact CG1-CG1 4.04Å; V31-I50 HydrophobicContact CG1-CG2 4.43Å; I50-Y63 PolarHBondContact N-O 2.94Å; I50-Y63 PolarHBondContact O-N 2.95Å; I50-L65 HydrophobicContact CB-CD1 4.49Å; I50-L65 HydrophobicContact CD1-CD1 3.88Å; I50-L65 HydrophobicContact CD1-CD2 4.3Å; I50-L65 HydrophobicContact CG1-CD1 3.83Å; I50-L119 HydrophobicContact CD1-CD2 4.17Å; I50-L119 HydrophobicContact CG1-CB 4.42Å; I50-L119 HydrophobicContact CG1-CD2 4.21Å; I50-L122 HydrophobicContact CD1-CB 3.79Å; I50-L122 HydrophobicContact CD1-CD1 4.43Å; I50-R123 HydrophobicContact CG2-CB 3.79Å; I50-R123 HydrophobicContact CG2-CG 3.84Å; I50-M126 HydrophobicContact CB-CE 4.35Å; I50-M126 HydrophobicContact CD1-CE 4.2Å; I50-M126 HydrophobicContact CG2-CE 3.83Å; I50-M126 HydrophobicContact CG2-SD 3.95Å
51I98.2Very high97.4Very high79 Ų7958.5 Ų58.541%0.40529%0.286SS..EExtended strand (participates in β ladder)trans-81.2121.9167.2-56.3-179.9000107.9G29 T30 R123G29-I51 WeakPolarHBondContact O-CD1 3.18Å; T30-I51 PolarHBondContact O-N 2.85Å; I51-R123 PolarHBondContact O-NE 2.89Å
52G98Very high97.6Very high5 Ų555.5 Ų55.55%0.05227%0.273CS..PPolyproline II helixtrans-56.8131.4-178.800000112Y58 R61G52-Y58 WeakPolarHBondContact CA-O 3.27Å; G52-R61 PolarHBondContact N-O 2.77Å
53P98.1Very high97.8Very high0 Ų052.3 Ų52.30%025%0.252CS..PPolyproline II helixtrans-66.9148-174.624.5-33.6000112.5T56 M126 M127P53-T56 HydrophobicContact CB-CG2 4.32Å; P53-T56 HydrophobicContact CG-CG2 3.9Å; P53-T56 PolarHBondContact O-OG1 2.63Å; P53-M126 HydrophobicContact CG-CB 3.89Å; P53-M127 HydrophobicContact CB-CG 3.5Å; P53-M127 HydrophobicContact CB-SD 3.66Å; P53-M127 HydrophobicContact CG-CG 3.47Å; P53-M127 VanDerWaalsContact CG-CG 3.47Å; P53-M127 HydrophobicContact CG-SD 4.3Å
54P97.3Very high97.8Very high69 Ų6953 Ų5345%0.44826%0.259SS..THydrogen-bonded Turntrans-66.5154.1179.529.4-35.9000111.9T56 E59P54-T56 VanDerWaalsContact C-N 3.27Å; P54-T56 PolarHBondContact O-N 3.05Å; P54-E59 VanDerWaalsContact CA-CD 3.48Å; P54-E59 WeakPolarHBondContact CA-OE1 3.33Å; P54-E59 WeakPolarHBondContact CB-OE1 3.36Å
55R96.3Very high97.9Very high217 Ų21751.8 Ų51.882%0.81925%0.251SS*.THydrogen-bonded Turntrans62.431.1-178.1-52.3178-69.1-178.3-3.9113.6E59R55-E59 WeakPolarHBondContact CA-OE2 3.36Å; R55-E59 PolarHBondContact N-OE2 2.79Å
56T98.1Very high97.9Very high15 Ų1549.6 Ų49.69%0.09224%0.244CC..SBendtrans-134.3163.9174.574.60000109.8P53 P54 Y58 E59 M127 M132P53-T56 HydrophobicContact CB-CG2 4.32Å; P53-T56 HydrophobicContact CG-CG2 3.9Å; P53-T56 PolarHBondContact O-OG1 2.63Å; P54-T56 VanDerWaalsContact C-N 3.27Å; P54-T56 PolarHBondContact O-N 3.05Å; T56-Y58 PolarHBondContact O-N 3.11Å; T56-Y58 WeakPolarHBondContact OG1-CB 3.45Å; T56-Y58 WeakPolarHBondContact OG1-CD2 3.3Å; T56-Y58 PolarHBondContact OG1-N 2.79Å; T56-Y58 VanDerWaalsContact OG1-N 3.16Å; T56-E59 VanDerWaalsContact O-CB 3.25Å; T56-E59 WeakPolarHBondContact O-CB 3.37Å; T56-E59 PolarHBondContact O-N 3.3Å; T56-E59 VanDerWaalsContact O-N 3.08Å; T56-M127 HydrophobicContact CG2-CG 4.27Å; T56-M132 HydrophobicContact CG2-CB 4.02Å
57N98Very high97.9Very high74 Ų7449.7 Ų49.740%0.39625%0.245SC..THydrogen-bonded Turntrans-67.4-4.3172.9-72.9-4.6000113.7M132 K133 L134 Q136N57-M132 PolarHBondContact N-O 2.72Å; N57-K133 PolarHBondContact ND2-O 3.1Å; N57-L134 WeakPolarHBondContact CB-O 3.45Å; N57-L134 PolarHBondContact ND2-O 2.96Å; N57-Q136 HydrophobicContact CB-CG 4.16Å; N57-Q136 WeakPolarHBondContact O-CG 3.34Å
58Y98.1Very high97.9Very high0 Ų052.9 Ų52.90%026%0.258CS..THydrogen-bonded Turntrans-89.3-14.9174.3-50.3-83.5000112.4G52 T56 R61 Y63 I86 N87 M126 N131 Q136G52-Y58 WeakPolarHBondContact CA-O 3.27Å; T56-Y58 PolarHBondContact O-N 3.11Å; T56-Y58 WeakPolarHBondContact OG1-CB 3.45Å; T56-Y58 WeakPolarHBondContact OG1-CD2 3.3Å; T56-Y58 PolarHBondContact OG1-N 2.79Å; T56-Y58 VanDerWaalsContact OG1-N 3.16Å; Y58-R61 VanDerWaalsContact O-CB 3.32Å; Y58-R61 WeakPolarHBondContact O-CB 3.39Å; Y58-R61 PolarHBondContact O-N 3.44Å; Y58-Y63 HydrophobicContact CD1-CE2 4.09Å; Y58-Y63 AromaticContact CD1-CZ 3.79Å; Y58-Y63 WeakPolarHBondContact CD1-OH 3.24Å; Y58-I86 HydrophobicContact CD1-CD1 4.12Å; Y58-I86 HydrophobicContact CD1-CG1 4.26Å; Y58-I86 HydrophobicContact CE1-CD1 3.79Å; Y58-I86 HydrophobicContact CE1-CG1 3.77Å; Y58-N87 PolarHBondContact OH-O 3.39Å; Y58-M126 HydrophobicContact CD1-CG 4.26Å; Y58-M126 HydrophobicContact CD1-SD 4.37Å; Y58-M126 HydrophobicContact CD2-CB 3.71Å; Y58-M126 HydrophobicContact CD2-CG 4.22Å; Y58-M126 HydrophobicContact CE1-CG 4.31Å; Y58-M126 HydrophobicContact CE2-CB 3.81Å; Y58-M126 HydrophobicContact CE2-CG 4.28Å; Y58-M126 VanDerWaalsContact CE2-O 3.24Å; Y58-M126 WeakPolarHBondContact CE2-O 3.34Å; Y58-M126 HydrophobicContact CG-CB 4.19Å; Y58-M126 HydrophobicContact CG-CG 4.25Å; Y58-M126 HydrophobicContact CG-SD 4.28Å; Y58-N131 VanDerWaalsContact CE2-O 3.26Å; Y58-N131 WeakPolarHBondContact CE2-O 3.24Å; Y58-N131 PolarHBondContact OH-O 3.16Å; Y58-Q136 HydrophobicContact CD1-CG 4.14Å; Y58-Q136 HydrophobicContact CE1-CG 4.17Å; Y58-Q136 VanDerWaalsContact CE1-NE2 3.25Å; Y58-Q136 PolarHBondContact OH-NE2 3.07Å
59E97.5Very high97.9Very high75 Ų7552.9 Ų52.935%0.3526%0.258SS..THydrogen-bonded Turntrans-53.6144.9-174.3-176.1166-155.500112.6P54 R55 T56 R61P54-E59 VanDerWaalsContact CA-CD 3.48Å; P54-E59 WeakPolarHBondContact CA-OE1 3.33Å; P54-E59 WeakPolarHBondContact CB-OE1 3.36Å; R55-E59 WeakPolarHBondContact CA-OE2 3.36Å; R55-E59 PolarHBondContact N-OE2 2.79Å; T56-E59 VanDerWaalsContact O-CB 3.25Å; T56-E59 WeakPolarHBondContact O-CB 3.37Å; T56-E59 PolarHBondContact O-N 3.3Å; T56-E59 VanDerWaalsContact O-N 3.08Å; E59-R61 PolarHBondContact O-N 2.79Å
60N94.8Very high97.8Very high141 Ų14149.8 Ų49.875%0.75425%0.247SC*.THydrogen-bonded Turntrans62.517-177.3-55.3-43.8000115.4
61R97.6Very high97.8Very high57 Ų5755.8 Ų55.822%0.21529%0.286CS..  trans-116.5150.6177.1-57.2168.8179.4-135.81111.6G52 Y58 E59 Y63 P137G52-R61 PolarHBondContact N-O 2.77Å; Y58-R61 VanDerWaalsContact O-CB 3.32Å; Y58-R61 WeakPolarHBondContact O-CB 3.39Å; Y58-R61 PolarHBondContact O-N 3.44Å; E59-R61 PolarHBondContact O-N 2.79Å; R61-Y63 HydrophobicContact CB-CE2 3.74Å; R61-Y63 WeakPolarHBondContact CD-OH 3.44Å; R61-P137 PolarHBondContact NH1-O 3.4Å
62I97.5Very high97.7Very high106 Ų10659.1 Ų59.154%0.54430%0.298SS..EExtended strand (participates in β ladder)trans-110.2123.6173-57.6175000108.8M49M49-I62 HydrophobicContact CB-CG2 4.41Å; M49-I62 HydrophobicContact SD-CG2 4.43Å
63Y98.4Very high97.7Very high2 Ų259.1 Ų59.11%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-104.6117.1176.9-63.5-88.8000109.7M49 I50 Y58 R61 L65 F82 T84 I86 M126M49-Y63 CarbonylContact C-O 3.6Å; M49-Y63 VanDerWaalsContact CA-O 3.31Å; M49-Y63 WeakPolarHBondContact CA-O 3.23Å; I50-Y63 PolarHBondContact N-O 2.94Å; I50-Y63 PolarHBondContact O-N 2.95Å; Y58-Y63 HydrophobicContact CD1-CE2 4.09Å; Y58-Y63 AromaticContact CD1-CZ 3.79Å; Y58-Y63 WeakPolarHBondContact CD1-OH 3.24Å; R61-Y63 HydrophobicContact CB-CE2 3.74Å; R61-Y63 WeakPolarHBondContact CD-OH 3.44Å; Y63-L65 WeakPolarHBondContact O-CD1 3.47Å; Y63-F82 HydrophobicContact CD1-CE1 4.47Å; Y63-F82 HydrophobicContact CG-CE1 4.41Å; Y63-T84 HydrophobicContact CD1-CG2 3.87Å; Y63-T84 HydrophobicContact CE1-CG2 4.3Å; Y63-I86 HydrophobicContact CD1-CB 3.98Å; Y63-I86 HydrophobicContact CD1-CD1 4.05Å; Y63-I86 HydrophobicContact CD1-CG1 4.18Å; Y63-I86 HydrophobicContact CE1-CB 3.85Å; Y63-I86 HydrophobicContact CE1-CD1 4.03Å; Y63-I86 HydrophobicContact CE1-CG1 3.83Å; Y63-M126 HydrophobicContact CD2-CE 4.06Å; Y63-M126 HydrophobicContact CG-CE 4.28Å
64S98.4Very high97.6Very high27 Ų2760.1 Ų60.119%0.18930%0.303CS..EExtended strand (participates in β ladder)trans-89.1141.7172.6-178.60000110.4G48 V83 T84G48-S64 CarbonylContact O-C 3.56Å; G48-S64 WeakPolarHBondContact O-CA 3.48Å; S64-V83 PolarHBondContact O-N 2.96Å; S64-T84 PolarHBondContact N-OG1 3.16Å; S64-T84 PolarHBondContact O-N 3.39Å
65L98.5Very high97.6Very high0 Ų061.8 Ų61.80%031%0.305CS..EExtended strand (participates in β ladder)trans-133.9150.8180-51.690.8000109.9T47 G48 I50 Y63 V80 R81 F82 L119 L122T47-L65 CarbonylContact C-O 3.54Å; T47-L65 WeakPolarHBondContact CA-O 3.41Å; G48-L65 PolarHBondContact N-O 3.49Å; G48-L65 PolarHBondContact O-N 3.2Å; I50-L65 HydrophobicContact CB-CD1 4.49Å; I50-L65 HydrophobicContact CD1-CD1 3.88Å; I50-L65 HydrophobicContact CD1-CD2 4.3Å; I50-L65 HydrophobicContact CG1-CD1 3.83Å; Y63-L65 WeakPolarHBondContact O-CD1 3.47Å; L65-V80 HydrophobicContact CD2-CG1 3.87Å; L65-R81 CarbonylContact C-O 3.6Å; L65-R81 VanDerWaalsContact CA-O 3.25Å; L65-R81 WeakPolarHBondContact CA-O 3.27Å; L65-F82 HydrophobicContact CD1-CD1 4.47Å; L65-F82 HydrophobicContact CD1-CE1 4.2Å; L65-F82 HydrophobicContact CD2-CD1 3.88Å; L65-F82 HydrophobicContact CD2-CD2 3.87Å; L65-F82 HydrophobicContact CD2-CE1 3.61Å; L65-F82 HydrophobicContact CD2-CE2 3.59Å; L65-F82 HydrophobicContact CD2-CG 4.01Å; L65-F82 HydrophobicContact CD2-CZ 3.47Å; L65-F82 VanDerWaalsContact CD2-CZ 3.47Å; L65-F82 HydrophobicContact CG-CD1 3.78Å; L65-F82 HydrophobicContact CG-CD2 4.49Å; L65-F82 HydrophobicContact CG-CE1 3.83Å; L65-F82 HydrophobicContact CG-CG 4.13Å; L65-F82 HydrophobicContact CG-CZ 4.22Å; L65-L119 HydrophobicContact CD1-CD2 4.08Å; L65-L119 HydrophobicContact CD2-CD2 4.29Å; L65-L122 HydrophobicContact CD2-CD1 3.71Å
66K98.4Very high97.7Very high60 Ų6053 Ų5326%0.26128%0.278SS..EExtended strand (participates in β ladder)trans-98.3136.4161.8-63-65.2173.4179.50109E36 W46 T47 V80 R81 V83E36-K66 WeakPolarHBondContact OE1-CE 2.94Å; E36-K66 IonicContact OE1-NZ 3.83Å; E36-K66 PolarHBondContact OE1-NZ 3.35Å; E36-K66 IonicContact OE2-NZ 3.76Å; W46-K66 WeakPolarHBondContact O-CA 3.35Å; T47-K66 PolarHBondContact OG1-NZ 3.43Å; T47-K66 VanDerWaalsContact OG1-NZ 3.14Å; K66-V80 WeakPolarHBondContact O-CA 3.32Å; K66-R81 PolarHBondContact N-O 3.5Å; K66-R81 PolarHBondContact O-N 2.89Å; K66-V83 HydrophobicContact CD-CG2 4.38Å; K66-V83 HydrophobicContact CG-CG2 3.71Å
67V98.7Very high97.7Very high2 Ų254.6 Ų54.61%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-125.8126.2176.1-178.60000107.7W46 P78 S79 V80 I115W46-V67 HydrophobicContact CB-CB 4.07Å; W46-V67 WeakPolarHBondContact CB-O 3.14Å; W46-V67 PolarHBondContact N-O 3.3Å; W46-V67 PolarHBondContact O-N 2.73Å; V67-P78 HydrophobicContact CG1-CB 3.67Å; V67-P78 HydrophobicContact CG1-CG 4.05Å; V67-S79 CarbonylContact C-O 3.53Å; V67-S79 WeakPolarHBondContact CA-O 3.31Å; V67-V80 HydrophobicContact CG1-CG2 4.48Å; V67-V80 HydrophobicContact CG2-CG1 4.26Å; V67-V80 HydrophobicContact CG2-CG2 4.43Å; V67-I115 HydrophobicContact CG1-CG1 4.18Å; V67-I115 HydrophobicContact CG1-CG2 4.42Å
68E98.6Very high97.7Very high97 Ų9751.4 Ų51.445%0.45327%0.272SS..EExtended strand (participates in β ladder)trans-115.1112.1179.1-161.8-174115.800110.5T44 G70 P78 S79T44-E68 HydrophobicContact CG2-CG 3.76Å; T44-E68 CarbonylContact O-C 3.57Å; T44-E68 WeakPolarHBondContact O-CA 3.41Å; E68-G70 PolarHBondContact O-N 2.86Å; E68-P78 CarbonylContact O-C 3.6Å; E68-P78 WeakPolarHBondContact O-CA 3.25Å; E68-P78 WeakPolarHBondContact O-CB 3.33Å; E68-S79 VanDerWaalsContact CB-OG 3.27Å; E68-S79 WeakPolarHBondContact CB-OG 3.19Å; E68-S79 PolarHBondContact N-O 2.9Å; E68-S79 PolarHBondContact O-N 2.83Å
69C98.5Very high97.7Very high0 Ų054.1 Ų54.10%029%0.291CS..  trans-88.392.8175.7-68.70000109R11 L15 T44 Y73R11-C69 PolarHBondContact NH2-O 2.75Å; L15-C69 HydrophobicContact CD1-CB 4.28Å; L15-C69 HydrophobicContact CD2-CB 3.87Å; T44-C69 PolarHBondContact O-N 2.95Å; C69-Y73 HydrophobicContact CB-CD1 4.2Å; C69-Y73 HydrophobicContact CB-CD2 4.25Å; C69-Y73 HydrophobicContact CB-CG 3.91Å
70G97.3Very high97.8Very high19 Ų1950.7 Ų50.720%0.19628%0.276CS..  trans-60174.7-179.200000114.4R11 E68 K72 Y73R11-G70 PolarHBondContact NE-O 2.91Å; E68-G70 PolarHBondContact O-N 2.86Å; G70-K72 PolarHBondContact O-N 2.97Å; G70-Y73 VanDerWaalsContact O-CB 3.26Å; G70-Y73 WeakPolarHBondContact O-CB 3.42Å; G70-Y73 PolarHBondContact O-N 3Å
71P96.7Very high98Very high126 Ų12645.9 Ų45.982%0.81825%0.247SC*.THydrogen-bonded Turntrans-63.3-19.9-175.625.1-35.1000113.9
72K96.8Very high98Very high150 Ų15043.1 Ų43.165%0.65224%0.236SC*.THydrogen-bonded Turntrans-91.5-1.7176-67.1-175.5175.3-1800113.6G70 E75 A76G70-K72 PolarHBondContact O-N 2.97Å; K72-E75 CarbonylContact O-C 3.48Å; K72-E75 VanDerWaalsContact O-CA 3.3Å; K72-E75 WeakPolarHBondContact O-CA 3.46Å; K72-E75 VanDerWaalsContact O-CB 3.24Å; K72-E75 WeakPolarHBondContact O-CB 3.3Å; K72-E75 PolarHBondContact O-N 2.98Å; K72-A76 HydrophobicContact CB-CB 3.85Å; K72-A76 PolarHBondContact O-N 2.9Å
73Y98.1Very high98.1Very high4 Ų439.1 Ų39.12%0.01622%0.217CC..THydrogen-bonded Turntrans-63.7138.3175.5-173.1-89.7000110.5R11 R14 L15 E18 C69 G70 A76 P78 W109 S114R11-Y73 WeakPolarHBondContact CB-O 3.38Å; R11-Y73 WeakPolarHBondContact CD-O 3.47Å; R11-Y73 WeakPolarHBondContact CG-O 3.43Å; R14-Y73 HydrophobicContact CG-CE1 4.15Å; L15-Y73 HydrophobicContact CD1-CD1 4.39Å; L15-Y73 HydrophobicContact CD2-CD1 3.63Å; L15-Y73 HydrophobicContact CD2-CE1 3.51Å; L15-Y73 HydrophobicContact CG-CD1 4.02Å; L15-Y73 HydrophobicContact CG-CE1 4.19Å; E18-Y73 VanDerWaalsContact CD-OH 3.24Å; E18-Y73 WeakPolarHBondContact OE1-CE1 3.37Å; E18-Y73 PolarHBondContact OE1-OH 3.21Å; E18-Y73 PolarHBondContact OE2-OH 2.8Å; E18-Y73 VanDerWaalsContact OE2-OH 3.05Å; C69-Y73 HydrophobicContact CB-CD1 4.2Å; C69-Y73 HydrophobicContact CB-CD2 4.25Å; C69-Y73 HydrophobicContact CB-CG 3.91Å; G70-Y73 VanDerWaalsContact O-CB 3.26Å; G70-Y73 WeakPolarHBondContact O-CB 3.42Å; G70-Y73 PolarHBondContact O-N 3Å; Y73-A76 WeakPolarHBondContact CD2-O 3.44Å; Y73-P78 HydrophobicContact CD2-CB 4.41Å; Y73-P78 HydrophobicContact CE2-CB 4.39Å; Y73-P78 HydrophobicContact CE2-CG 4.25Å; Y73-W109 HydrophobicContact CD2-CZ2 4.2Å; Y73-W109 AromaticContact CE2-CH2 3.75Å; Y73-W109 HydrophobicContact CE2-CH2 3.75Å; Y73-W109 AromaticContact CE2-CZ2 3.53Å; Y73-W109 HydrophobicContact CE2-CZ2 3.53Å; Y73-S114 WeakPolarHBondContact OH-CA 3.42Å
74P97.1Very high98Very high21 Ų2140.2 Ų40.214%0.13622%0.224CC..THydrogen-bonded Turncis-92.212.52.139.4-39.2000114.3R14 A76 W109 N111R14-P74 HydrophobicContact CG-CB 4.45Å; R14-P74 HydrophobicContact CG-CG 4.13Å; P74-A76 PolarHBondContact O-N 2.88Å; P74-W109 PolarHBondContact O-NE1 2.83Å; P74-N111 PolarHBondContact O-OD1 2.86Å; P74-N111 VanDerWaalsContact O-OD1 3.1Å
75E96.6Very high98Very high105 Ų10542.1 Ų42.149%0.49123%0.228SC..THydrogen-bonded Turntrans-68.1-27.2174.3-64165.8-129.600113K8 K72 N111K8-E75 WeakPolarHBondContact CE-OE1 3.47Å; K8-E75 IonicContact NZ-OE1 3.72Å; K8-E75 PolarHBondContact NZ-OE1 3.4Å; K8-E75 IonicContact NZ-OE2 2.59Å; K72-E75 CarbonylContact O-C 3.48Å; K72-E75 VanDerWaalsContact O-CA 3.3Å; K72-E75 WeakPolarHBondContact O-CA 3.46Å; K72-E75 VanDerWaalsContact O-CB 3.24Å; K72-E75 WeakPolarHBondContact O-CB 3.3Å; K72-E75 PolarHBondContact O-N 2.98Å; E75-N111 WeakPolarHBondContact CA-OD1 3.46Å
76A97.6Very high98Very high31 Ų3142.1 Ų42.126%0.25623%0.228SC..SBendtrans-115.9148.4169.900000110.1K72 Y73 P74K72-A76 HydrophobicContact CB-CB 3.85Å; K72-A76 PolarHBondContact O-N 2.9Å; Y73-A76 WeakPolarHBondContact CD2-O 3.44Å; P74-A76 PolarHBondContact O-N 2.88Å
77P98.3Very high98Very high50 Ų5041.9 Ų41.933%0.32523%0.23SC..PPolyproline II helixtrans-63.5158.1175.626.7-34000111.6L106 W109P77-L106 HydrophobicContact CB-CD2 3.94Å; P77-W109 HydrophobicContact CB-CB 4.01Å; P77-W109 HydrophobicContact CB-CD2 3.57Å; P77-W109 HydrophobicContact CB-CE3 3.67Å; P77-W109 HydrophobicContact CB-CG 3.7Å; P77-W109 HydrophobicContact CB-CZ3 4.39Å; P77-W109 HydrophobicContact CG-CB 4.15Å; P77-W109 HydrophobicContact CG-CG 4.16Å
78P98.6Very high98Very high6 Ų642.1 Ų42.14%0.03923%0.231CC..PPolyproline II helixtrans-72.9157.217033.6-32.3000110.3V67 E68 Y73 V80 L106 V118V67-P78 HydrophobicContact CG1-CB 3.67Å; V67-P78 HydrophobicContact CG1-CG 4.05Å; E68-P78 CarbonylContact O-C 3.6Å; E68-P78 WeakPolarHBondContact O-CA 3.25Å; E68-P78 WeakPolarHBondContact O-CB 3.33Å; Y73-P78 HydrophobicContact CD2-CB 4.41Å; Y73-P78 HydrophobicContact CE2-CB 4.39Å; Y73-P78 HydrophobicContact CE2-CG 4.25Å; P78-V80 HydrophobicContact CG-CG2 4.48Å; P78-L106 HydrophobicContact CG-CD2 4.44Å; P78-V118 HydrophobicContact CG-CG2 4.3Å
79S98.5Very high98Very high58 Ų5841.3 Ų41.341%0.40623%0.23SC..EExtended strand (participates in β ladder)trans-82.2147162.881.60000109V67 E68V67-S79 CarbonylContact C-O 3.53Å; V67-S79 WeakPolarHBondContact CA-O 3.31Å; E68-S79 VanDerWaalsContact CB-OG 3.27Å; E68-S79 WeakPolarHBondContact CB-OG 3.19Å; E68-S79 PolarHBondContact N-O 2.9Å; E68-S79 PolarHBondContact O-N 2.83Å
80V98.8Very high97.9Very high3 Ų342.3 Ų42.32%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-135136.6-177.8-172.20000109.2L65 K66 V67 P78 M97 V98 L106 V118 L122L65-V80 HydrophobicContact CD2-CG1 3.87Å; K66-V80 WeakPolarHBondContact O-CA 3.32Å; V67-V80 HydrophobicContact CG1-CG2 4.48Å; V67-V80 HydrophobicContact CG2-CG1 4.26Å; V67-V80 HydrophobicContact CG2-CG2 4.43Å; P78-V80 HydrophobicContact CG-CG2 4.48Å; V80-M97 VanDerWaalsContact O-SD 3.33Å; V80-V98 HydrophobicContact CB-CB 4.06Å; V80-V98 HydrophobicContact CB-CG2 3.67Å; V80-V98 HydrophobicContact CG1-CG2 3.64Å; V80-V98 WeakPolarHBondContact O-CB 3.42Å; V80-V98 VanDerWaalsContact O-CG2 3.3Å; V80-V98 WeakPolarHBondContact O-CG2 3.26Å; V80-V98 PolarHBondContact O-N 3.05Å; V80-L106 HydrophobicContact CG2-CD1 4.38Å; V80-V118 HydrophobicContact CG2-CG1 3.84Å; V80-L122 HydrophobicContact CG1-CD1 4.13Å
81R98.6Very high98Very high39 Ų3942 Ų4215%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-140.3130.9175.6177.6-177138.6126.6-2.7109.9L65 K66 S95 G96 M97 N144L65-R81 CarbonylContact C-O 3.6Å; L65-R81 VanDerWaalsContact CA-O 3.25Å; L65-R81 WeakPolarHBondContact CA-O 3.27Å; K66-R81 PolarHBondContact N-O 3.5Å; K66-R81 PolarHBondContact O-N 2.89Å; R81-S95 WeakPolarHBondContact CD-O 3.4Å; R81-S95 WeakPolarHBondContact CG-O 3.42Å; R81-S95 PolarHBondContact NE-O 3.34Å; R81-S95 PolarHBondContact NH1-O 3.49Å; R81-G96 CarbonylContact C-O 3.58Å; R81-G96 WeakPolarHBondContact CA-O 3.4Å; R81-M97 HydrophobicContact CB-CE 4.2Å; R81-M97 HydrophobicContact CB-SD 4.33Å; R81-M97 HydrophobicContact CG-CE 4.49Å; R81-N144 PolarHBondContact NH1-O 3.3Å; R81-N144 PolarHBondContact NH2-O 2.99Å
82F98.6Very high98Very high0 Ų039.7 Ų39.70%022%0.215CC..EExtended strand (participates in β ladder)trans-69.7134.8168.4-80.7-95.7000110.8Y63 L65 I86 I91 G96 V98 L122 M126 Y143Y63-F82 HydrophobicContact CD1-CE1 4.47Å; Y63-F82 HydrophobicContact CG-CE1 4.41Å; L65-F82 HydrophobicContact CD1-CD1 4.47Å; L65-F82 HydrophobicContact CD1-CE1 4.2Å; L65-F82 HydrophobicContact CD2-CD1 3.88Å; L65-F82 HydrophobicContact CD2-CD2 3.87Å; L65-F82 HydrophobicContact CD2-CE1 3.61Å; L65-F82 HydrophobicContact CD2-CE2 3.59Å; L65-F82 HydrophobicContact CD2-CG 4.01Å; L65-F82 HydrophobicContact CD2-CZ 3.47Å; L65-F82 VanDerWaalsContact CD2-CZ 3.47Å; L65-F82 HydrophobicContact CG-CD1 3.78Å; L65-F82 HydrophobicContact CG-CD2 4.49Å; L65-F82 HydrophobicContact CG-CE1 3.83Å; L65-F82 HydrophobicContact CG-CG 4.13Å; L65-F82 HydrophobicContact CG-CZ 4.22Å; F82-I86 HydrophobicContact CB-CG2 4.04Å; F82-I86 HydrophobicContact CD1-CB 4.34Å; F82-I86 HydrophobicContact CD1-CD1 4.42Å; F82-I86 HydrophobicContact CD1-CG2 3.65Å; F82-I86 HydrophobicContact CD2-CG2 3.98Å; F82-I86 HydrophobicContact CE1-CD1 3.8Å; F82-I86 HydrophobicContact CE1-CG2 4.02Å; F82-I86 HydrophobicContact CE2-CG2 4.34Å; F82-I86 HydrophobicContact CG-CG2 3.61Å; F82-I86 HydrophobicContact CZ-CD1 4Å; F82-I86 HydrophobicContact CZ-CG2 4.35Å; F82-I91 HydrophobicContact CD2-CD1 3.99Å; F82-I91 HydrophobicContact CD2-CG1 4.3Å; F82-I91 HydrophobicContact CD2-CG2 4.02Å; F82-I91 HydrophobicContact CE2-CD1 3.65Å; F82-I91 HydrophobicContact CE2-CG1 4.11Å; F82-G96 PolarHBondContact N-O 3.28Å; F82-V98 HydrophobicContact CD2-CG2 4.06Å; F82-V98 HydrophobicContact CE2-CG2 4.12Å; F82-L122 HydrophobicContact CE2-CD1 4.28Å; F82-L122 HydrophobicContact CE2-CD2 4.42Å; F82-L122 HydrophobicContact CZ-CD1 4.38Å; F82-M126 HydrophobicContact CE1-CE 4.16Å; F82-M126 HydrophobicContact CZ-CE 4.22Å; F82-Y143 HydrophobicContact CB-CD2 4.32Å; F82-Y143 HydrophobicContact CB-CE2 3.91Å; F82-Y143 WeakPolarHBondContact O-CD2 3.44Å
83V98.4Very high97.9Very high22 Ų2237.6 Ų37.613%0.13321%0.211CC..SBendtrans-88-49.4167.5179.50000108.8S64 K66 T142 Y143S64-V83 PolarHBondContact O-N 2.96Å; K66-V83 HydrophobicContact CD-CG2 4.38Å; K66-V83 HydrophobicContact CG-CG2 3.71Å; V83-T142 HydrophobicContact CG1-CG2 4.13Å; V83-T142 CarbonylContact O-C 3.58Å; V83-T142 WeakPolarHBondContact O-CA 3.32Å; V83-T142 WeakPolarHBondContact O-CB 3.41Å; V83-Y143 PolarHBondContact O-N 2.71Å
84T98.2Very high97.8Very high24 Ų2442.6 Ų42.615%0.14725%0.246CC..BIsolated β-bridgetrans-70.3131.7173.7-52.40000109.9Y63 S64 I86 Y143Y63-T84 HydrophobicContact CD1-CG2 3.87Å; Y63-T84 HydrophobicContact CE1-CG2 4.3Å; S64-T84 PolarHBondContact N-OG1 3.16Å; S64-T84 PolarHBondContact O-N 3.39Å; T84-I86 PolarHBondContact O-N 3.05Å; T84-Y143 WeakPolarHBondContact O-CE2 3.31Å
85K98.2Very high97.8Very high67 Ų6743.3 Ų43.329%0.29125%0.252SS..  trans-60.9136.1175.2-72.1-164.3-173.4164.80111.1P137 Q141 T142 Y143K85-P137 HydrophobicContact CB-CB 4.12Å; K85-P137 HydrophobicContact CB-CG 3.95Å; K85-Q141 HydrophobicContact CB-CB 4.11Å; K85-Q141 HydrophobicContact CD-CB 3.95Å; K85-Q141 HydrophobicContact CG-CB 4.1Å; K85-Q141 PolarHBondContact N-O 2.98Å; K85-T142 VanDerWaalsContact CE-O 3.23Å; K85-T142 WeakPolarHBondContact CE-O 3.25Å; K85-Y143 VanDerWaalsContact CA-CE2 3.48Å; K85-Y143 HydrophobicContact CB-CE2 4.31Å; K85-Y143 HydrophobicContact CG-CD1 4.07Å; K85-Y143 HydrophobicContact CG-CD2 4.14Å; K85-Y143 HydrophobicContact CG-CE1 4.02Å; K85-Y143 HydrophobicContact CG-CE2 4.15Å; K85-Y143 HydrophobicContact CG-CG 4.13Å
86I98.5Very high97.9Very high0 Ų038.3 Ų38.30%023%0.228CC..  trans-146.7137.6-177.6-172.9176.2000108.8Y58 Y63 F82 T84 M88 I91 M126 Y143Y58-I86 HydrophobicContact CD1-CD1 4.12Å; Y58-I86 HydrophobicContact CD1-CG1 4.26Å; Y58-I86 HydrophobicContact CE1-CD1 3.79Å; Y58-I86 HydrophobicContact CE1-CG1 3.77Å; Y63-I86 HydrophobicContact CD1-CB 3.98Å; Y63-I86 HydrophobicContact CD1-CD1 4.05Å; Y63-I86 HydrophobicContact CD1-CG1 4.18Å; Y63-I86 HydrophobicContact CE1-CB 3.85Å; Y63-I86 HydrophobicContact CE1-CD1 4.03Å; Y63-I86 HydrophobicContact CE1-CG1 3.83Å; F82-I86 HydrophobicContact CB-CG2 4.04Å; F82-I86 HydrophobicContact CD1-CB 4.34Å; F82-I86 HydrophobicContact CD1-CD1 4.42Å; F82-I86 HydrophobicContact CD1-CG2 3.65Å; F82-I86 HydrophobicContact CD2-CG2 3.98Å; F82-I86 HydrophobicContact CE1-CD1 3.8Å; F82-I86 HydrophobicContact CE1-CG2 4.02Å; F82-I86 HydrophobicContact CE2-CG2 4.34Å; F82-I86 HydrophobicContact CG-CG2 3.61Å; F82-I86 HydrophobicContact CZ-CD1 4Å; F82-I86 HydrophobicContact CZ-CG2 4.35Å; T84-I86 PolarHBondContact O-N 3.05Å; I86-M88 HydrophobicContact CD1-CB 4.04Å; I86-M88 HydrophobicContact CD1-SD 4Å; I86-M88 HydrophobicContact CG1-CB 4.06Å; I86-I91 HydrophobicContact CG2-CB 4.48Å; I86-I91 HydrophobicContact CG2-CG1 4.36Å; I86-I91 HydrophobicContact CG2-CG2 3.96Å; I86-M126 HydrophobicContact CD1-CE 3.64Å; I86-Y143 PolarHBondContact N-OH 3.12Å; I86-Y143 PolarHBondContact O-OH 3.07Å
87N98.1Very high97.9Very high56 Ų5640.8 Ų40.830%0.29924%0.235SC..  trans-99.3108.5168.3-73.8-12.6000108.3Y58 L134 P135 Q136Y58-N87 PolarHBondContact OH-O 3.39Å; N87-L134 WeakPolarHBondContact O-CD1 3.47Å; N87-P135 WeakPolarHBondContact CB-O 3.39Å; N87-P135 PolarHBondContact ND2-O 2.99Å; N87-Q136 PolarHBondContact O-NE2 3.08Å
88M98.2Very high97.9Very high6 Ų638.9 Ų38.93%0.0322%0.223CC..  trans-157.5141.4-177.8-179.8178.6166.500110.2I86 G90 I91 L125 M126 N131I86-M88 HydrophobicContact CD1-CB 4.04Å; I86-M88 HydrophobicContact CD1-SD 4Å; I86-M88 HydrophobicContact CG1-CB 4.06Å; M88-G90 PolarHBondContact O-N 2.61Å; M88-I91 HydrophobicContact CB-CG1 3.88Å; M88-I91 HydrophobicContact CG-CG1 4.26Å; M88-I91 WeakPolarHBondContact O-CB 3.32Å; M88-I91 PolarHBondContact O-N 3.15Å; M88-I91 VanDerWaalsContact O-N 3.13Å; M88-I91 HydrophobicContact SD-CG1 4.48Å; M88-L125 HydrophobicContact CE-CB 3.19Å; M88-L125 HydrophobicContact CE-CD1 4.26Å; M88-L125 HydrophobicContact CE-CG 4.37Å; M88-M126 HydrophobicContact CE-CG 4.43Å; M88-M126 HydrophobicContact SD-CG 3.83Å; M88-N131 HydrophobicContact CG-CB 4.33Å
89N97.5Very high97.9Very high81 Ų8141.3 Ų41.343%0.43324%0.236SC..THydrogen-bonded Turntrans-58.5136.2176.6-71.7-7.3000110.8I91 E130 N131N89-I91 VanDerWaalsContact C-N 3.35Å; N89-E130 PolarHBondContact ND2-OE2 2.84Å; N89-N131 WeakPolarHBondContact CB-OD1 3.42Å; N89-N131 PolarHBondContact N-OD1 2.77Å
90G97.5Very high97.8Very high20 Ų2040.6 Ų40.621%0.20623%0.233CC..THydrogen-bonded Turntrans86.2-1-176.300000114.6M88 D99M88-G90 PolarHBondContact O-N 2.61Å; G90-D99 PolarHBondContact O-N 3.45Å
91I98.3Very high97.7Very high12 Ų1250 Ų506%0.06227%0.268CS..BIsolated β-bridgetrans-107.8131.3175.9-44.7-51000109.8F82 I86 M88 N89 N93 V98F82-I91 HydrophobicContact CD2-CD1 3.99Å; F82-I91 HydrophobicContact CD2-CG1 4.3Å; F82-I91 HydrophobicContact CD2-CG2 4.02Å; F82-I91 HydrophobicContact CE2-CD1 3.65Å; F82-I91 HydrophobicContact CE2-CG1 4.11Å; I86-I91 HydrophobicContact CG2-CB 4.48Å; I86-I91 HydrophobicContact CG2-CG1 4.36Å; I86-I91 HydrophobicContact CG2-CG2 3.96Å; M88-I91 HydrophobicContact CB-CG1 3.88Å; M88-I91 HydrophobicContact CG-CG1 4.26Å; M88-I91 WeakPolarHBondContact O-CB 3.32Å; M88-I91 PolarHBondContact O-N 3.15Å; M88-I91 VanDerWaalsContact O-N 3.13Å; M88-I91 HydrophobicContact SD-CG1 4.48Å; N89-I91 VanDerWaalsContact C-N 3.35Å; I91-N93 PolarHBondContact O-N 3.17Å; I91-V98 HydrophobicContact CD1-CB 4.26Å; I91-V98 HydrophobicContact CD1-CG1 4.1Å; I91-V98 HydrophobicContact CD1-CG2 3.82Å
92N97.5Very high97.7Very high78 Ų7851.1 Ų51.142%0.41728%0.282SS..  trans-72.8116.8176.2-178.8-79000110.8S94 S95 G96 M97N92-S94 PolarHBondContact O-N 3.02Å; N92-S94 VanDerWaalsContact O-N 3.09Å; N92-S94 PolarHBondContact OD1-N 3.29Å; N92-S95 WeakPolarHBondContact CB-OG 3.23Å; N92-S95 PolarHBondContact O-N 2.8Å; N92-S95 PolarHBondContact OD1-N 3.45Å; N92-S95 PolarHBondContact OD1-OG 2.96Å; N92-G96 WeakPolarHBondContact O-CA 3.47Å; N92-G96 PolarHBondContact O-N 3.03Å; N92-M97 HydrophobicContact CB-CB 4.29Å; N92-M97 PolarHBondContact N-O 3.45Å
93N95Very high97.6Very high107 Ų10751.2 Ų51.257%0.57228%0.283SS*.THydrogen-bonded Turntrans-65.7-11.8-175.9-69.5-18.1000115.5I91 Y143I91-N93 PolarHBondContact O-N 3.17Å; N93-Y143 WeakPolarHBondContact O-CE1 3.4Å
94S95.6Very high97.6Very high109 Ų10953 Ų5376%0.76230%0.295SS*.THydrogen-bonded Turntrans-99.1-27.5178.4-56.80000112.7N92N92-S94 PolarHBondContact O-N 3.02Å; N92-S94 VanDerWaalsContact O-N 3.09Å; N92-S94 PolarHBondContact OD1-N 3.29Å
95S96.9Very high97.6Very high36 Ų3652.6 Ų52.625%0.25229%0.292SS..THydrogen-bonded Turntrans-126.9-10.4-170.261.40000114.8R81 N92 M97R81-S95 WeakPolarHBondContact CD-O 3.4Å; R81-S95 WeakPolarHBondContact CG-O 3.42Å; R81-S95 PolarHBondContact NE-O 3.34Å; R81-S95 PolarHBondContact NH1-O 3.49Å; N92-S95 WeakPolarHBondContact CB-OG 3.23Å; N92-S95 PolarHBondContact O-N 2.8Å; N92-S95 PolarHBondContact OD1-N 3.45Å; N92-S95 PolarHBondContact OD1-OG 2.96Å; S95-M97 PolarHBondContact O-N 3.16Å; S95-M97 VanDerWaalsContact O-N 3.16Å; S95-M97 PolarHBondContact OG-N 3.27Å
96G97.9Very high97.6Very high0 Ų049.8 Ų49.80%028%0.28CS..  trans70.21.7-173.700000114.5R81 F82 N92 V98 Y143R81-G96 CarbonylContact C-O 3.58Å; R81-G96 WeakPolarHBondContact CA-O 3.4Å; F82-G96 PolarHBondContact N-O 3.28Å; N92-G96 WeakPolarHBondContact O-CA 3.47Å; N92-G96 PolarHBondContact O-N 3.03Å; G96-V98 PolarHBondContact O-N 2.79Å; G96-Y143 VanDerWaalsContact CA-CZ 3.46Å
97M98.2Very high97.6Very high82 Ų8252.4 Ų52.440%0.40430%0.302SS..BIsolated β-bridgetrans-63.3133.4-179.4-171.158.864.700110.6V80 R81 N92 S95V80-M97 VanDerWaalsContact O-SD 3.33Å; R81-M97 HydrophobicContact CB-CE 4.2Å; R81-M97 HydrophobicContact CB-SD 4.33Å; R81-M97 HydrophobicContact CG-CE 4.49Å; N92-M97 HydrophobicContact CB-CB 4.29Å; N92-M97 PolarHBondContact N-O 3.45Å; S95-M97 PolarHBondContact O-N 3.16Å; S95-M97 VanDerWaalsContact O-N 3.16Å; S95-M97 PolarHBondContact OG-N 3.27Å
98V98.7Very high97.6Very high11 Ų1157.4 Ų57.47%0.06732%0.321CS..BIsolated β-bridgetrans-83.2123176-1760000109.4V80 F82 I91 G96 A100 I103 L106 L122V80-V98 HydrophobicContact CB-CB 4.06Å; V80-V98 HydrophobicContact CB-CG2 3.67Å; V80-V98 HydrophobicContact CG1-CG2 3.64Å; V80-V98 WeakPolarHBondContact O-CB 3.42Å; V80-V98 VanDerWaalsContact O-CG2 3.3Å; V80-V98 WeakPolarHBondContact O-CG2 3.26Å; V80-V98 PolarHBondContact O-N 3.05Å; F82-V98 HydrophobicContact CD2-CG2 4.06Å; F82-V98 HydrophobicContact CE2-CG2 4.12Å; I91-V98 HydrophobicContact CD1-CB 4.26Å; I91-V98 HydrophobicContact CD1-CG1 4.1Å; I91-V98 HydrophobicContact CD1-CG2 3.82Å; G96-V98 PolarHBondContact O-N 2.79Å; V98-A100 PolarHBondContact O-N 3.44Å; V98-A100 VanDerWaalsContact O-N 3.14Å; V98-I103 HydrophobicContact CG1-CB 4.48Å; V98-I103 HydrophobicContact CG1-CD1 4.1Å; V98-I103 HydrophobicContact CG1-CG1 3.32Å; V98-L106 HydrophobicContact CG1-CD1 3.93Å; V98-L122 HydrophobicContact CG1-CD2 4.37Å
99D98.2Very high97.6Very high57 Ų5758.4 Ų58.431%0.30533%0.325SS..  trans-72.4105.4169.2-173.3-16.4000108.8G90 R101 S102 I103G90-D99 PolarHBondContact O-N 3.45Å; D99-R101 PolarHBondContact O-N 2.88Å; D99-R101 WeakPolarHBondContact OD1-CB 3.4Å; D99-R101 IonicContact OD1-CZ 3.58Å; D99-R101 PolarHBondContact OD1-N 2.82Å; D99-R101 IonicContact OD1-NE 2.71Å; D99-R101 PolarHBondContact OD1-NE 3Å; D99-R101 IonicContact OD1-NH2 2.68Å; D99-R101 IonicContact OD2-CZ 3.59Å; D99-R101 IonicContact OD2-NE 3.5Å; D99-R101 IonicContact OD2-NH2 3.84Å; D99-R101 PolarHBondContact OD2-NH2 2.87Å; D99-S102 WeakPolarHBondContact O-CB 3.26Å; D99-S102 PolarHBondContact O-N 3.33Å; D99-I103 PolarHBondContact O-N 3.14Å
100A97.2Very high97.6Very high42 Ų4259.3 Ų59.335%0.34733%0.326SS..THydrogen-bonded Turntrans-53.6-28.1-179.600000113.2V98 S102 L106 A107V98-A100 PolarHBondContact O-N 3.44Å; V98-A100 VanDerWaalsContact O-N 3.14Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-L106 HydrophobicContact CB-CB 3.97Å; A100-L106 HydrophobicContact CB-CD1 4.43Å; A100-L106 CarbonylContact O-C 3.51Å; A100-L106 WeakPolarHBondContact O-CB 3.4Å; A100-A107 WeakPolarHBondContact O-CA 3.46Å; A100-A107 WeakPolarHBondContact O-CB 3.36Å; A100-A107 PolarHBondContact O-N 2.98Å
101R97.3Very high97.4Very high200 Ų20062.7 Ų62.776%0.75534%0.34SS*.THydrogen-bonded Turntrans-76.1-24.6179.5-59.5171.8-62.1172.27112.7D99D99-R101 PolarHBondContact O-N 2.88Å; D99-R101 WeakPolarHBondContact OD1-CB 3.4Å; D99-R101 IonicContact OD1-CZ 3.58Å; D99-R101 PolarHBondContact OD1-N 2.82Å; D99-R101 IonicContact OD1-NE 2.71Å; D99-R101 PolarHBondContact OD1-NE 3Å; D99-R101 IonicContact OD1-NH2 2.68Å; D99-R101 IonicContact OD2-CZ 3.59Å; D99-R101 IonicContact OD2-NE 3.5Å; D99-R101 IonicContact OD2-NH2 3.84Å; D99-R101 PolarHBondContact OD2-NH2 2.87Å
102S97Very high97.3Very high64 Ų6466.4 Ų66.445%0.44837%0.366SS..THydrogen-bonded Turntrans-84.4-17.8179.2-590000112.9D99 A100D99-S102 WeakPolarHBondContact O-CB 3.26Å; D99-S102 PolarHBondContact O-N 3.33Å; A100-S102 VanDerWaalsContact C-N 3.34Å
103I98.1Very high97.3Very high1 Ų166.1 Ų66.11%0.00536%0.36CS..SBendtrans-103114.7-178.8-52-52000109.5V98 D99 V105 L106 A107 E121 L122 L125V98-I103 HydrophobicContact CG1-CB 4.48Å; V98-I103 HydrophobicContact CG1-CD1 4.1Å; V98-I103 HydrophobicContact CG1-CG1 3.32Å; D99-I103 PolarHBondContact O-N 3.14Å; I103-V105 VanDerWaalsContact C-N 3.33Å; I103-V105 HydrophobicContact CG2-CG2 3.98Å; I103-V105 PolarHBondContact O-N 3.48Å; I103-V105 VanDerWaalsContact O-N 3.16Å; I103-L106 HydrophobicContact CB-CB 4.24Å; I103-L106 HydrophobicContact CB-CD1 3.99Å; I103-L106 HydrophobicContact CB-CG 4.17Å; I103-L106 HydrophobicContact CG1-CD1 4.26Å; I103-L106 HydrophobicContact CG2-CD1 4.21Å; I103-L106 HydrophobicContact CG2-CG 4.14Å; I103-L106 PolarHBondContact O-N 3.43Å; I103-A107 WeakPolarHBondContact O-CB 3.35Å; I103-A107 PolarHBondContact O-N 3.37Å; I103-E121 HydrophobicContact CG2-CG 4.12Å; I103-L122 HydrophobicContact CD1-CD2 3.91Å; I103-L122 HydrophobicContact CG1-CD2 4.16Å; I103-L122 HydrophobicContact CG2-CD2 4.35Å; I103-L125 HydrophobicContact CD1-CD1 3.64Å; I103-L125 HydrophobicContact CG2-CD1 4.15Å
104P97.8Very high97.5Very high61 Ų6161.6 Ų61.640%0.39634%0.337SS..Hα-helixtrans-53.4-42.7-171-30.436.8000115L106 A107 K108P104-L106 VanDerWaalsContact C-N 3.31Å; P104-L106 PolarHBondContact O-N 3.45Å; P104-A107 PolarHBondContact O-N 3.16Å; P104-K108 PolarHBondContact O-N 3.11Å
105V98Very high97.6Very high14 Ų1456.5 Ų56.59%0.08530%0.301CS..Hα-helixtrans-69.3-28.2-179.6-61.80000112.9I103 W109 Y113 V117 V118 E121I103-V105 VanDerWaalsContact C-N 3.33Å; I103-V105 HydrophobicContact CG2-CG2 3.98Å; I103-V105 PolarHBondContact O-N 3.48Å; I103-V105 VanDerWaalsContact O-N 3.16Å; V105-W109 VanDerWaalsContact O-CA 3.26Å; V105-W109 WeakPolarHBondContact O-CA 3.32Å; V105-W109 PolarHBondContact O-N 2.82Å; V105-Y113 HydrophobicContact CB-CD2 4.14Å; V105-Y113 HydrophobicContact CB-CE2 4.19Å; V105-Y113 HydrophobicContact CG1-CE2 4.36Å; V105-V117 HydrophobicContact CB-CG1 4.41Å; V105-V117 HydrophobicContact CG1-CG1 3.95Å; V105-V118 HydrophobicContact CG2-CG2 4.2Å; V105-E121 HydrophobicContact CB-CB 4.42Å; V105-E121 HydrophobicContact CB-CG 4.35Å; V105-E121 HydrophobicContact CG1-CB 3.83Å; V105-E121 HydrophobicContact CG1-CG 3.77Å; V105-E121 HydrophobicContact CG2-CB 3.69Å; V105-E121 HydrophobicContact CG2-CG 3.76Å
106L98.4Very high97.7Very high8 Ų856.4 Ų56.44%0.04230%0.296CS..Hα-helixtrans-82.7-39.5175-61.3177.9000111P77 P78 V80 V98 A100 I103 P104 W109 V118P77-L106 HydrophobicContact CB-CD2 3.94Å; P78-L106 HydrophobicContact CG-CD2 4.44Å; V80-L106 HydrophobicContact CG2-CD1 4.38Å; V98-L106 HydrophobicContact CG1-CD1 3.93Å; A100-L106 HydrophobicContact CB-CB 3.97Å; A100-L106 HydrophobicContact CB-CD1 4.43Å; A100-L106 CarbonylContact O-C 3.51Å; A100-L106 WeakPolarHBondContact O-CB 3.4Å; I103-L106 HydrophobicContact CB-CB 4.24Å; I103-L106 HydrophobicContact CB-CD1 3.99Å; I103-L106 HydrophobicContact CB-CG 4.17Å; I103-L106 HydrophobicContact CG1-CD1 4.26Å; I103-L106 HydrophobicContact CG2-CD1 4.21Å; I103-L106 HydrophobicContact CG2-CG 4.14Å; I103-L106 PolarHBondContact O-N 3.43Å; P104-L106 VanDerWaalsContact C-N 3.31Å; P104-L106 PolarHBondContact O-N 3.45Å; L106-W109 HydrophobicContact CD2-CE3 4.38Å; L106-W109 HydrophobicContact CD2-CZ3 4.47Å; L106-V118 HydrophobicContact CD2-CG1 4.21Å; L106-V118 HydrophobicContact CD2-CG2 3.86Å
107A98.1Very high97.7Very high55 Ų5558.3 Ų58.346%0.45531%0.307SS..Hα-helixtrans-67.5-36.5-179.700000112.7A100 I103 P104A100-A107 WeakPolarHBondContact O-CA 3.46Å; A100-A107 WeakPolarHBondContact O-CB 3.36Å; A100-A107 PolarHBondContact O-N 2.98Å; I103-A107 WeakPolarHBondContact O-CB 3.35Å; I103-A107 PolarHBondContact O-N 3.37Å; P104-A107 PolarHBondContact O-N 3.16Å
108K97.9Very high97.7Very high162 Ų16254.4 Ų54.470%0.70429%0.288SS*.THydrogen-bonded Turntrans-115.541.3179.4-61.9-177.2180179.90111.1P104 Q110P104-K108 PolarHBondContact O-N 3.11Å; K108-Q110 PolarHBondContact O-N 2.98Å; K108-Q110 PolarHBondContact O-NE2 2.94Å; K108-Q110 VanDerWaalsContact O-NE2 3.11Å
109W98.3Very high97.7Very high27 Ų2753.9 Ų53.910%0.10229%0.285CS..  trans-48.3134-176.1-176.2-102000112.6Y73 P74 P77 V105 L106 Y113 V118Y73-W109 HydrophobicContact CD2-CZ2 4.2Å; Y73-W109 AromaticContact CE2-CH2 3.75Å; Y73-W109 HydrophobicContact CE2-CH2 3.75Å; Y73-W109 AromaticContact CE2-CZ2 3.53Å; Y73-W109 HydrophobicContact CE2-CZ2 3.53Å; P74-W109 PolarHBondContact O-NE1 2.83Å; P77-W109 HydrophobicContact CB-CB 4.01Å; P77-W109 HydrophobicContact CB-CD2 3.57Å; P77-W109 HydrophobicContact CB-CE3 3.67Å; P77-W109 HydrophobicContact CB-CG 3.7Å; P77-W109 HydrophobicContact CB-CZ3 4.39Å; P77-W109 HydrophobicContact CG-CB 4.15Å; P77-W109 HydrophobicContact CG-CG 4.16Å; V105-W109 VanDerWaalsContact O-CA 3.26Å; V105-W109 WeakPolarHBondContact O-CA 3.32Å; V105-W109 PolarHBondContact O-N 2.82Å; L106-W109 HydrophobicContact CD2-CE3 4.38Å; L106-W109 HydrophobicContact CD2-CZ3 4.47Å; W109-Y113 HydrophobicContact CE3-CD2 4.05Å; W109-Y113 WeakPolarHBondContact CH2-O 3.35Å; W109-Y113 WeakPolarHBondContact CZ2-O 3.42Å; W109-Y113 HydrophobicContact CZ3-CD2 4.41Å; W109-Y113 HydrophobicContact CZ3-CG 4.49Å; W109-V118 HydrophobicContact CH2-CG2 4.43Å; W109-V118 HydrophobicContact CZ3-CG2 3.72Å
110Q97.2Very high97.7Very high99 Ų9954.9 Ų54.946%0.46329%0.288SS..  trans-121.6143.6173.8-59-58.4-57.500108K108 S112 Y113K108-Q110 PolarHBondContact O-N 2.98Å; K108-Q110 PolarHBondContact O-NE2 2.94Å; K108-Q110 VanDerWaalsContact O-NE2 3.11Å; Q110-S112 PolarHBondContact O-N 3.44Å; Q110-Y113 HydrophobicContact CB-CD1 4.26Å; Q110-Y113 HydrophobicContact CB-CD2 4.01Å; Q110-Y113 HydrophobicContact CB-CE1 4.23Å; Q110-Y113 HydrophobicContact CB-CE2 3.97Å; Q110-Y113 HydrophobicContact CB-CG 4.15Å; Q110-Y113 HydrophobicContact CG-CD2 4.34Å; Q110-Y113 HydrophobicContact CG-CE1 4.31Å; Q110-Y113 HydrophobicContact CG-CE2 3.79Å; Q110-Y113 WeakPolarHBondContact O-CB 3.39Å; Q110-Y113 PolarHBondContact O-N 3.39Å
111N94.8Very high97.7Very high92 Ų9254.1 Ų54.149%0.49228%0.277SS..THydrogen-bonded Turntrans-61.1-16.3179.5-63.10.7000113.5P74 E75P74-N111 PolarHBondContact O-OD1 2.86Å; P74-N111 VanDerWaalsContact O-OD1 3.1Å; E75-N111 WeakPolarHBondContact CA-OD1 3.46Å
112S95.5Very high97.8Very high89 Ų8944.6 Ų44.662%0.62224%0.241SC*.THydrogen-bonded Turntrans-78.1-20173.6550000113.4R14 Q110R14-S112 PolarHBondContact NH2-O 3.29Å; Q110-S112 PolarHBondContact O-N 3.44Å
113Y98.1Very high97.9Very high73 Ų7343.3 Ų43.329%0.28623%0.227SC..  trans-71153.2177.4-62.9-17.7000111.8R14 V105 W109 Q110 V117R14-Y113 PolarHBondContact NH2-O 3.43Å; V105-Y113 HydrophobicContact CB-CD2 4.14Å; V105-Y113 HydrophobicContact CB-CE2 4.19Å; V105-Y113 HydrophobicContact CG1-CE2 4.36Å; W109-Y113 HydrophobicContact CE3-CD2 4.05Å; W109-Y113 WeakPolarHBondContact CH2-O 3.35Å; W109-Y113 WeakPolarHBondContact CZ2-O 3.42Å; W109-Y113 HydrophobicContact CZ3-CD2 4.41Å; W109-Y113 HydrophobicContact CZ3-CG 4.49Å; Q110-Y113 HydrophobicContact CB-CD1 4.26Å; Q110-Y113 HydrophobicContact CB-CD2 4.01Å; Q110-Y113 HydrophobicContact CB-CE1 4.23Å; Q110-Y113 HydrophobicContact CB-CE2 3.97Å; Q110-Y113 HydrophobicContact CB-CG 4.15Å; Q110-Y113 HydrophobicContact CG-CD2 4.34Å; Q110-Y113 HydrophobicContact CG-CE1 4.31Å; Q110-Y113 HydrophobicContact CG-CE2 3.79Å; Q110-Y113 WeakPolarHBondContact O-CB 3.39Å; Q110-Y113 PolarHBondContact O-N 3.39Å; Y113-V117 HydrophobicContact CD1-CG1 4.08Å; Y113-V117 HydrophobicContact CG-CG1 4.18Å
114S97.9Very high97.9Very high12 Ų1248.9 Ų48.98%0.08425%0.248CC..  trans-135.5170.5-172.258.60000111.4E18 Y73 K116 V117 V118E18-S114 VanDerWaalsContact CD-CB 3.47Å; E18-S114 WeakPolarHBondContact OE2-CA 3.37Å; E18-S114 VanDerWaalsContact OE2-CB 3.24Å; E18-S114 WeakPolarHBondContact OE2-CB 3.5Å; Y73-S114 WeakPolarHBondContact OH-CA 3.42Å; S114-K116 PolarHBondContact O-N 2.87Å; S114-V117 PolarHBondContact O-N 3.26Å; S114-V117 VanDerWaalsContact O-N 3.08Å; S114-V117 PolarHBondContact OG-N 2.98Å; S114-V118 WeakPolarHBondContact O-CG2 3.48Å; S114-V118 PolarHBondContact O-N 3.28Å
115I98.5Very high97.9Very high1 Ų147.1 Ų47.11%0.00524%0.235CC..Hα-helixtrans-52.1-45171.4-62.8170.4000109.9E18 W33 W46 V67 V117 V118 L119E18-I115 WeakPolarHBondContact OE2-CG1 3.5Å; E18-I115 PolarHBondContact OE2-N 3.3Å; W33-I115 HydrophobicContact CB-CG2 3.87Å; W33-I115 HydrophobicContact CD2-CG2 4.33Å; W33-I115 HydrophobicContact CG-CB 4.45Å; W33-I115 HydrophobicContact CG-CG2 3.72Å; W46-I115 HydrophobicContact CB-CD1 4.43Å; W46-I115 HydrophobicContact CD2-CD1 3.49Å; W46-I115 VanDerWaalsContact CD2-CD1 3.49Å; W46-I115 HydrophobicContact CE3-CD1 3.78Å; W46-I115 HydrophobicContact CG-CD1 3.79Å; W46-I115 HydrophobicContact CH2-CD1 4.32Å; W46-I115 HydrophobicContact CZ2-CD1 4.14Å; W46-I115 HydrophobicContact CZ3-CD1 4.18Å; V67-I115 HydrophobicContact CG1-CG1 4.18Å; V67-I115 HydrophobicContact CG1-CG2 4.42Å; I115-V117 PolarHBondContact O-N 2.9Å; I115-V118 WeakPolarHBondContact O-CB 3.43Å; I115-V118 PolarHBondContact O-N 3.17Å; I115-V118 VanDerWaalsContact O-N 3.16Å; I115-L119 HydrophobicContact CG2-CD1 4.09Å; I115-L119 HydrophobicContact CG2-CG 4.37Å; I115-L119 WeakPolarHBondContact O-CG 3.13Å; I115-L119 PolarHBondContact O-N 2.85Å
116K98Very high97.9Very high35 Ų3546.4 Ų46.415%0.15223%0.23CC..Hα-helixtrans-52.5-51.3174.8-177-177.3-174.7173.90112.5V26 W33 S114 V118 L119 Q120V26-K116 WeakPolarHBondContact O-CE 3.37Å; V26-K116 PolarHBondContact O-NZ 2.97Å; W33-K116 HydrophobicContact CE3-CB 4.4Å; W33-K116 HydrophobicContact CH2-CB 3.49Å; W33-K116 VanDerWaalsContact CH2-CB 3.49Å; W33-K116 HydrophobicContact CH2-CD 3.63Å; W33-K116 HydrophobicContact CH2-CG 3.47Å; W33-K116 VanDerWaalsContact CH2-CG 3.47Å; W33-K116 HydrophobicContact CZ2-CB 3.73Å; W33-K116 HydrophobicContact CZ2-CD 4.28Å; W33-K116 HydrophobicContact CZ2-CG 4.21Å; W33-K116 HydrophobicContact CZ3-CB 3.84Å; W33-K116 HydrophobicContact CZ3-CD 4.34Å; W33-K116 HydrophobicContact CZ3-CG 3.74Å; S114-K116 PolarHBondContact O-N 2.87Å; K116-V118 VanDerWaalsContact C-N 3.28Å; K116-V118 PolarHBondContact O-N 3.32Å; K116-L119 PolarHBondContact O-N 3Å; K116-Q120 HydrophobicContact CG-CG 4.43Å; K116-Q120 WeakPolarHBondContact O-CB 3.41Å; K116-Q120 VanDerWaalsContact O-CG 3.27Å; K116-Q120 WeakPolarHBondContact O-CG 3.48Å; K116-Q120 PolarHBondContact O-N 3.31Å
117V98Very high97.9Very high39 Ų3950 Ų5024%0.23625%0.248CC..Hα-helixtrans-61.8-39.3-179.3171.70000110.8V105 Y113 S114 I115 Q120 E121V105-V117 HydrophobicContact CB-CG1 4.41Å; V105-V117 HydrophobicContact CG1-CG1 3.95Å; Y113-V117 HydrophobicContact CD1-CG1 4.08Å; Y113-V117 HydrophobicContact CG-CG1 4.18Å; S114-V117 PolarHBondContact O-N 3.26Å; S114-V117 VanDerWaalsContact O-N 3.08Å; S114-V117 PolarHBondContact OG-N 2.98Å; I115-V117 PolarHBondContact O-N 2.9Å; V117-Q120 PolarHBondContact O-N 2.94Å; V117-E121 WeakPolarHBondContact O-CB 3.26Å; V117-E121 PolarHBondContact O-N 3.13Å
118V98.7Very high97.9Very high0 Ų048.8 Ų48.80%024%0.236CC..Hα-helixtrans-62.8-48.4176.4175.30000111.4P78 V80 V105 L106 W109 S114 I115 K116 Q120 E121 L122P78-V118 HydrophobicContact CG-CG2 4.3Å; V80-V118 HydrophobicContact CG2-CG1 3.84Å; V105-V118 HydrophobicContact CG2-CG2 4.2Å; L106-V118 HydrophobicContact CD2-CG1 4.21Å; L106-V118 HydrophobicContact CD2-CG2 3.86Å; W109-V118 HydrophobicContact CH2-CG2 4.43Å; W109-V118 HydrophobicContact CZ3-CG2 3.72Å; S114-V118 WeakPolarHBondContact O-CG2 3.48Å; S114-V118 PolarHBondContact O-N 3.28Å; I115-V118 WeakPolarHBondContact O-CB 3.43Å; I115-V118 PolarHBondContact O-N 3.17Å; I115-V118 VanDerWaalsContact O-N 3.16Å; K116-V118 VanDerWaalsContact C-N 3.28Å; K116-V118 PolarHBondContact O-N 3.32Å; V118-Q120 PolarHBondContact O-N 2.94Å; V118-E121 PolarHBondContact O-N 3.43Å; V118-L122 HydrophobicContact CG1-CD1 4.27Å; V118-L122 WeakPolarHBondContact O-CG 3.37Å; V118-L122 PolarHBondContact O-N 3.49Å
119L98.6Very high97.8Very high0 Ų050.5 Ų50.50%024%0.244CC..Hα-helixtrans-64.4-41.2178.7-64.6177.8000111.9V31 S32 W33 I50 L65 I115 K116 L122 R123V31-L119 HydrophobicContact CB-CB 4Å; V31-L119 HydrophobicContact CG1-CB 4.06Å; V31-L119 HydrophobicContact CG2-CB 4.34Å; S32-L119 WeakPolarHBondContact O-CD1 3.37Å; W33-L119 HydrophobicContact CB-CD1 3.88Å; W33-L119 HydrophobicContact CD2-CD1 4.42Å; W33-L119 HydrophobicContact CE3-CD1 4Å; W33-L119 HydrophobicContact CG-CD1 4.4Å; I50-L119 HydrophobicContact CD1-CD2 4.17Å; I50-L119 HydrophobicContact CG1-CB 4.42Å; I50-L119 HydrophobicContact CG1-CD2 4.21Å; L65-L119 HydrophobicContact CD1-CD2 4.08Å; L65-L119 HydrophobicContact CD2-CD2 4.29Å; I115-L119 HydrophobicContact CG2-CD1 4.09Å; I115-L119 HydrophobicContact CG2-CG 4.37Å; I115-L119 WeakPolarHBondContact O-CG 3.13Å; I115-L119 PolarHBondContact O-N 2.85Å; K116-L119 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 3.09Å; L119-R123 WeakPolarHBondContact O-CB 3.46Å; L119-R123 PolarHBondContact O-N 2.84Å
120Q98Very high97.7Very high79 Ų7955.9 Ų55.937%0.36927%0.27SS..Hα-helixtrans-63.1-40.7175.5-73.6179.9-33.300111.9V31 K116 V117 V118 R123 R124V31-Q120 HydrophobicContact CG2-CG 3.95Å; K116-Q120 HydrophobicContact CG-CG 4.43Å; K116-Q120 WeakPolarHBondContact O-CB 3.41Å; K116-Q120 VanDerWaalsContact O-CG 3.27Å; K116-Q120 WeakPolarHBondContact O-CG 3.48Å; K116-Q120 PolarHBondContact O-N 3.31Å; V117-Q120 PolarHBondContact O-N 2.94Å; V118-Q120 PolarHBondContact O-N 2.94Å; Q120-R123 PolarHBondContact O-N 3.08Å; Q120-R124 WeakPolarHBondContact O-CB 3.41Å; Q120-R124 PolarHBondContact O-N 3.2Å
121E98.2Very high97.8Very high26 Ų2651.4 Ų51.412%0.12125%0.249CC..Hα-helixtrans-68-42.1177.8-179.963.6-179.700111.9I103 V105 V117 V118 R123 R124 L125I103-E121 HydrophobicContact CG2-CG 4.12Å; V105-E121 HydrophobicContact CB-CB 4.42Å; V105-E121 HydrophobicContact CB-CG 4.35Å; V105-E121 HydrophobicContact CG1-CB 3.83Å; V105-E121 HydrophobicContact CG1-CG 3.77Å; V105-E121 HydrophobicContact CG2-CB 3.69Å; V105-E121 HydrophobicContact CG2-CG 3.76Å; V117-E121 WeakPolarHBondContact O-CB 3.26Å; V117-E121 PolarHBondContact O-N 3.13Å; V118-E121 PolarHBondContact O-N 3.43Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 3.47Å; E121-R124 WeakPolarHBondContact O-CB 3.24Å; E121-R124 PolarHBondContact O-N 2.92Å; E121-R124 IonicContact OE1-CZ 3.84Å; E121-R124 IonicContact OE1-NE 3.45Å; E121-R124 PolarHBondContact OE1-NE 3.47Å; E121-R124 IonicContact OE1-NH2 3.73Å; E121-R124 PolarHBondContact OE1-NH2 3.31Å; E121-R124 IonicContact OE2-CZ 2.57Å; E121-R124 IonicContact OE2-NE 2.75Å; E121-R124 PolarHBondContact OE2-NE 3.04Å; E121-R124 IonicContact OE2-NH2 3.64Å; E121-L125 HydrophobicContact CG-CD1 4.23Å; E121-L125 HydrophobicContact CG-CG 4.49Å; E121-L125 WeakPolarHBondContact O-CB 3.38Å; E121-L125 WeakPolarHBondContact O-CG 3.49Å; E121-L125 PolarHBondContact O-N 3.46Å
122L98.7Very high97.9Very high0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-58.7-45.6173.7-72.3171.6000110.9I50 L65 V80 F82 V98 I103 V118 L119 R124 L125 M126I50-L122 HydrophobicContact CD1-CB 3.79Å; I50-L122 HydrophobicContact CD1-CD1 4.43Å; L65-L122 HydrophobicContact CD2-CD1 3.71Å; V80-L122 HydrophobicContact CG1-CD1 4.13Å; F82-L122 HydrophobicContact CE2-CD1 4.28Å; F82-L122 HydrophobicContact CE2-CD2 4.42Å; F82-L122 HydrophobicContact CZ-CD1 4.38Å; V98-L122 HydrophobicContact CG1-CD2 4.37Å; I103-L122 HydrophobicContact CD1-CD2 3.91Å; I103-L122 HydrophobicContact CG1-CD2 4.16Å; I103-L122 HydrophobicContact CG2-CD2 4.35Å; V118-L122 HydrophobicContact CG1-CD1 4.27Å; V118-L122 WeakPolarHBondContact O-CG 3.37Å; V118-L122 PolarHBondContact O-N 3.49Å; L119-L122 PolarHBondContact O-N 3.09Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 2.76Å; L122-L125 PolarHBondContact O-N 3.02Å; L122-M126 WeakPolarHBondContact O-CG 3.43Å; L122-M126 PolarHBondContact O-N 3.48Å
123R98.3Very high98Very high37 Ų3753.1 Ų53.114%0.1424%0.243CC..Hα-helixtrans-62.2-39.9175.2-172.4176.3176.4-100.4-2.9112.3D28 T30 V31 I50 I51 L119 Q120 E121 L125 M126D28-R123 IonicContact OD2-NH1 3.76Å; T30-R123 VanDerWaalsContact CB-NE 3.35Å; T30-R123 WeakPolarHBondContact OG1-CD 3.49Å; T30-R123 VanDerWaalsContact OG1-CZ 3.29Å; T30-R123 PolarHBondContact OG1-NE 3.05Å; T30-R123 PolarHBondContact OG1-NH1 2.85Å; T30-R123 VanDerWaalsContact OG1-NH1 3.15Å; V31-R123 HydrophobicContact CG1-CB 4.37Å; I50-R123 HydrophobicContact CG2-CB 3.79Å; I50-R123 HydrophobicContact CG2-CG 3.84Å; I51-R123 PolarHBondContact O-NE 2.89Å; L119-R123 WeakPolarHBondContact O-CB 3.46Å; L119-R123 PolarHBondContact O-N 2.84Å; Q120-R123 PolarHBondContact O-N 3.08Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 3.47Å; R123-L125 VanDerWaalsContact C-N 3.33Å; R123-L125 PolarHBondContact O-N 3.45Å; R123-M126 WeakPolarHBondContact O-CB 3.45Å; R123-M126 PolarHBondContact O-N 2.71Å
124R98Very high98Very high118 Ų11852 Ų5245%0.44524%0.241SC..Hα-helixtrans-61.8-42.3175.2-167.8-164.967.274.51.2111.3Q120 E121 L122 M126 M127Q120-R124 WeakPolarHBondContact O-CB 3.41Å; Q120-R124 PolarHBondContact O-N 3.2Å; E121-R124 WeakPolarHBondContact O-CB 3.24Å; E121-R124 PolarHBondContact O-N 2.92Å; E121-R124 IonicContact OE1-CZ 3.84Å; E121-R124 IonicContact OE1-NE 3.45Å; E121-R124 PolarHBondContact OE1-NE 3.47Å; E121-R124 IonicContact OE1-NH2 3.73Å; E121-R124 PolarHBondContact OE1-NH2 3.31Å; E121-R124 IonicContact OE2-CZ 2.57Å; E121-R124 IonicContact OE2-NE 2.75Å; E121-R124 PolarHBondContact OE2-NE 3.04Å; E121-R124 IonicContact OE2-NH2 3.64Å; L122-R124 VanDerWaalsContact C-N 3.34Å; L122-R124 PolarHBondContact O-N 2.76Å; R124-M126 VanDerWaalsContact C-N 3.32Å; R124-M126 PolarHBondContact O-N 3.18Å; R124-M127 WeakPolarHBondContact O-CB 3.45Å; R124-M127 PolarHBondContact O-N 2.75Å
125L98.4Very high98Very high23 Ų2356 Ų5612%0.1227%0.267CS..Hα-helixtrans-68.5-27.6179-71.7171.6000112.8M88 I103 E121 L122 R123 M127 S128 N131M88-L125 HydrophobicContact CE-CB 3.19Å; M88-L125 HydrophobicContact CE-CD1 4.26Å; M88-L125 HydrophobicContact CE-CG 4.37Å; I103-L125 HydrophobicContact CD1-CD1 3.64Å; I103-L125 HydrophobicContact CG2-CD1 4.15Å; E121-L125 HydrophobicContact CG-CD1 4.23Å; E121-L125 HydrophobicContact CG-CG 4.49Å; E121-L125 WeakPolarHBondContact O-CB 3.38Å; E121-L125 WeakPolarHBondContact O-CG 3.49Å; E121-L125 PolarHBondContact O-N 3.46Å; L122-L125 PolarHBondContact O-N 3.02Å; R123-L125 VanDerWaalsContact C-N 3.33Å; R123-L125 PolarHBondContact O-N 3.45Å; L125-M127 PolarHBondContact O-N 3.21Å; L125-S128 VanDerWaalsContact O-CB 3.31Å; L125-S128 WeakPolarHBondContact O-CB 3.34Å; L125-S128 PolarHBondContact O-N 2.88Å; L125-S128 PolarHBondContact O-OG 3.08Å; L125-N131 VanDerWaalsContact O-CB 3.32Å; L125-N131 WeakPolarHBondContact O-CB 3.41Å; L125-N131 PolarHBondContact O-ND2 2.71Å
126M98.6Very high98Very high0 Ų057.1 Ų57.10%027%0.272CS..Hα-helixtrans-58.6-30.5168.7-67.8172.2-179.200112I50 P53 Y58 Y63 F82 I86 M88 L122 R123 R124 M132I50-M126 HydrophobicContact CB-CE 4.35Å; I50-M126 HydrophobicContact CD1-CE 4.2Å; I50-M126 HydrophobicContact CG2-CE 3.83Å; I50-M126 HydrophobicContact CG2-SD 3.95Å; P53-M126 HydrophobicContact CG-CB 3.89Å; Y58-M126 HydrophobicContact CD1-CG 4.26Å; Y58-M126 HydrophobicContact CD1-SD 4.37Å; Y58-M126 HydrophobicContact CD2-CB 3.71Å; Y58-M126 HydrophobicContact CD2-CG 4.22Å; Y58-M126 HydrophobicContact CE1-CG 4.31Å; Y58-M126 HydrophobicContact CE2-CB 3.81Å; Y58-M126 HydrophobicContact CE2-CG 4.28Å; Y58-M126 VanDerWaalsContact CE2-O 3.24Å; Y58-M126 WeakPolarHBondContact CE2-O 3.34Å; Y58-M126 HydrophobicContact CG-CB 4.19Å; Y58-M126 HydrophobicContact CG-CG 4.25Å; Y58-M126 HydrophobicContact CG-SD 4.28Å; Y63-M126 HydrophobicContact CD2-CE 4.06Å; Y63-M126 HydrophobicContact CG-CE 4.28Å; F82-M126 HydrophobicContact CE1-CE 4.16Å; F82-M126 HydrophobicContact CZ-CE 4.22Å; I86-M126 HydrophobicContact CD1-CE 3.64Å; M88-M126 HydrophobicContact CE-CG 4.43Å; M88-M126 HydrophobicContact SD-CG 3.83Å; L122-M126 WeakPolarHBondContact O-CG 3.43Å; L122-M126 PolarHBondContact O-N 3.48Å; R123-M126 WeakPolarHBondContact O-CB 3.45Å; R123-M126 PolarHBondContact O-N 2.71Å; R124-M126 VanDerWaalsContact C-N 3.32Å; R124-M126 PolarHBondContact O-N 3.18Å; M126-M132 VanDerWaalsContact O-CA 3.25Å; M126-M132 WeakPolarHBondContact O-CA 3.25Å; M126-M132 PolarHBondContact O-N 2.77Å
127M98.1Very high97.9Very high82 Ų8256.3 Ų56.340%0.40427%0.271SS..THydrogen-bonded Turntrans-86.3-3.1177.2-59.7-176.8-76.800113.8P53 T56 R124 L125P53-M127 HydrophobicContact CB-CG 3.5Å; P53-M127 HydrophobicContact CB-SD 3.66Å; P53-M127 HydrophobicContact CG-CG 3.47Å; P53-M127 VanDerWaalsContact CG-CG 3.47Å; P53-M127 HydrophobicContact CG-SD 4.3Å; T56-M127 HydrophobicContact CG2-CG 4.27Å; R124-M127 WeakPolarHBondContact O-CB 3.45Å; R124-M127 PolarHBondContact O-N 2.75Å; L125-M127 PolarHBondContact O-N 3.21Å
128S97.6Very high97.8Very high30 Ų3058.7 Ų58.721%0.2129%0.287CS..SBendtrans-67.2151.4177.471.50000111.1L125 E130 N131 M132L125-S128 VanDerWaalsContact O-CB 3.31Å; L125-S128 WeakPolarHBondContact O-CB 3.34Å; L125-S128 PolarHBondContact O-N 2.88Å; L125-S128 PolarHBondContact O-OG 3.08Å; S128-E130 PolarHBondContact O-N 3.45Å; S128-E130 VanDerWaalsContact O-N 3.12Å; S128-N131 PolarHBondContact O-N 3.06Å; S128-N131 PolarHBondContact OG-ND2 3.07Å; S128-M132 WeakPolarHBondContact O-CB 3.5Å; S128-M132 PolarHBondContact O-N 2.94Å
129K97.2Very high97.5Very high199 Ų19965.4 Ų65.487%0.86532%0.318SS*.THydrogen-bonded Turntrans-55-35-176.4-69.3-177.2179178.60113.2N131K129-N131 VanDerWaalsContact C-N 3.34Å
130E96.4Very high97.2Very high140 Ų14068.5 Ų68.565%0.65435%0.35SS*.THydrogen-bonded Turntrans-74.3-25.9-178.6-61.2176.4-17800112.6N89 S128 L134N89-E130 PolarHBondContact ND2-OE2 2.84Å; S128-E130 PolarHBondContact O-N 3.45Å; S128-E130 VanDerWaalsContact O-N 3.12Å; E130-L134 WeakPolarHBondContact O-CG 3.48Å
131N98.1Very high97.1Very high4 Ų468.2 Ų68.22%0.02135%0.348CS..THydrogen-bonded Turntrans-106.4-32.9-173.4-70.1-31.3000113.5Y58 M88 N89 L125 S128 K129 K133 L134Y58-N131 VanDerWaalsContact CE2-O 3.26Å; Y58-N131 WeakPolarHBondContact CE2-O 3.24Å; Y58-N131 PolarHBondContact OH-O 3.16Å; M88-N131 HydrophobicContact CG-CB 4.33Å; N89-N131 WeakPolarHBondContact CB-OD1 3.42Å; N89-N131 PolarHBondContact N-OD1 2.77Å; L125-N131 VanDerWaalsContact O-CB 3.32Å; L125-N131 WeakPolarHBondContact O-CB 3.41Å; L125-N131 PolarHBondContact O-ND2 2.71Å; S128-N131 PolarHBondContact O-N 3.06Å; S128-N131 PolarHBondContact OG-ND2 3.07Å; K129-N131 VanDerWaalsContact C-N 3.34Å; N131-K133 PolarHBondContact O-N 3.21Å; N131-K133 VanDerWaalsContact O-N 3.07Å; N131-L134 HydrophobicContact CB-CD1 4.39Å; N131-L134 WeakPolarHBondContact O-CB 3.44Å; N131-L134 PolarHBondContact O-N 3.29Å; N131-L134 VanDerWaalsContact O-N 3.08Å
132M97.8Very high97.1Very high55 Ų5570.6 Ų70.627%0.27137%0.365SS..THydrogen-bonded Turntrans-62.8-24-165.571.3178.2-62.300114.8T56 N57 M126 S128T56-M132 HydrophobicContact CG2-CB 4.02Å; N57-M132 PolarHBondContact N-O 2.72Å; M126-M132 VanDerWaalsContact O-CA 3.25Å; M126-M132 WeakPolarHBondContact O-CA 3.25Å; M126-M132 PolarHBondContact O-N 2.77Å; S128-M132 WeakPolarHBondContact O-CB 3.5Å; S128-M132 PolarHBondContact O-N 2.94Å
133K97.3Very high96.9Very high163 Ų16371 Ų7171%0.70937%0.366SS*.THydrogen-bonded Turntrans-110.18.4-179.9-57.3-166.7179.9-1790113.7N57 N131N57-K133 PolarHBondContact ND2-O 3.1Å; N131-K133 PolarHBondContact O-N 3.21Å; N131-K133 VanDerWaalsContact O-N 3.07Å
134L97.8Very high96.5Very high48 Ų4876.1 Ų76.125%0.25140%0.397SS..PPolyproline II helixtrans-63.8130.2178-70.3176.2000109.7N57 N87 E130 N131 Q136N57-L134 WeakPolarHBondContact CB-O 3.45Å; N57-L134 PolarHBondContact ND2-O 2.96Å; N87-L134 WeakPolarHBondContact O-CD1 3.47Å; E130-L134 WeakPolarHBondContact O-CG 3.48Å; N131-L134 HydrophobicContact CB-CD1 4.39Å; N131-L134 WeakPolarHBondContact O-CB 3.44Å; N131-L134 PolarHBondContact O-N 3.29Å; N131-L134 VanDerWaalsContact O-N 3.08Å; L134-Q136 PolarHBondContact O-N 3.08Å; L134-Q136 PolarHBondContact O-NE2 2.87Å; L134-Q136 VanDerWaalsContact O-NE2 3.08Å
135P97.6Very high95Very high97 Ų9779.6 Ų79.663%0.6342%0.424SS*.PPolyproline II helixtrans-57.7127.6171.6-22.833.5000109.3N87N87-P135 WeakPolarHBondContact CB-O 3.39Å; N87-P135 PolarHBondContact ND2-O 2.99Å
136Q97.9Very high94.8Very high25 Ų2582.5 Ų82.512%0.11744%0.439CS..PPolyproline II helixtrans-96.3151.2-179.3-65.4-54.1-5400111.2N57 Y58 N87 L134N57-Q136 HydrophobicContact CB-CG 4.16Å; N57-Q136 WeakPolarHBondContact O-CG 3.34Å; Y58-Q136 HydrophobicContact CD1-CG 4.14Å; Y58-Q136 HydrophobicContact CE1-CG 4.17Å; Y58-Q136 VanDerWaalsContact CE1-NE2 3.25Å; Y58-Q136 PolarHBondContact OH-NE2 3.07Å; N87-Q136 PolarHBondContact O-NE2 3.08Å; L134-Q136 PolarHBondContact O-N 3.08Å; L134-Q136 PolarHBondContact O-NE2 2.87Å; L134-Q136 VanDerWaalsContact O-NE2 3.08Å
137P96.6Very high94.6Very high18 Ų1886.8 Ų86.812%0.11746%0.463CS..PPolyproline II helixtrans-55.5158.1169.3-23.435.3000111.6R61 K85 E139R61-P137 PolarHBondContact NH1-O 3.4Å; K85-P137 HydrophobicContact CB-CB 4.12Å; K85-P137 HydrophobicContact CB-CG 3.95Å; P137-E139 PolarHBondContact O-N 2.77Å
138P95.6Very high94.4Very high89 Ų8987.1 Ų87.158%0.57847%0.466SS*.PPolyproline II helixtrans-48.5140.2166.9-27.832.9000111.9Q141P138-Q141 HydrophobicContact CB-CG 4.49Å; P138-Q141 VanDerWaalsContact CD-NE2 3.3Å; P138-Q141 PolarHBondContact O-N 3.2Å
139E93.8Very high94.2Very high141 Ų14190.4 Ų90.466%0.65948%0.481SS*.THydrogen-bonded Turntrans-60.2148.8179.3-170.3170.4-171.400111.5P137 Q141P137-E139 PolarHBondContact O-N 2.77Å; E139-Q141 VanDerWaalsContact C-N 3.26Å; E139-Q141 PolarHBondContact O-N 2.95Å
140G90.8Very high94Very high64 Ų6483.6 Ų83.666%0.6646%0.457SS*.THydrogen-bonded Turntrans80.6-7.2-179.200000115.3
141Q96.3Very high93.9Very high73 Ų7379.9 Ų79.934%0.34144%0.444SS..  trans-69.8137.3172.7-73.6-161.945.800111.9K85 P138 E139K85-Q141 HydrophobicContact CB-CB 4.11Å; K85-Q141 HydrophobicContact CD-CB 3.95Å; K85-Q141 HydrophobicContact CG-CB 4.1Å; K85-Q141 PolarHBondContact N-O 2.98Å; P138-Q141 HydrophobicContact CB-CG 4.49Å; P138-Q141 VanDerWaalsContact CD-NE2 3.3Å; P138-Q141 PolarHBondContact O-N 3.2Å; E139-Q141 VanDerWaalsContact C-N 3.26Å; E139-Q141 PolarHBondContact O-N 2.95Å
142T97.5Very high93.6Very high77 Ų7785.3 Ų85.347%0.47247%0.474SS..BIsolated β-bridgetrans-118.9154.5175.156.40000111.6V83 K85V83-T142 HydrophobicContact CG1-CG2 4.13Å; V83-T142 CarbonylContact O-C 3.58Å; V83-T142 WeakPolarHBondContact O-CA 3.32Å; V83-T142 WeakPolarHBondContact O-CB 3.41Å; K85-T142 VanDerWaalsContact CE-O 3.23Å; K85-T142 WeakPolarHBondContact CE-O 3.25Å
143Y95.6Very high93.3Very high7 Ų787.6 Ų87.63%0.02749%0.489CS..  trans-70.5146.8165.9-65.8-77.5000109.5F82 V83 T84 K85 I86 N93 G96 N145F82-Y143 HydrophobicContact CB-CD2 4.32Å; F82-Y143 HydrophobicContact CB-CE2 3.91Å; F82-Y143 WeakPolarHBondContact O-CD2 3.44Å; V83-Y143 PolarHBondContact O-N 2.71Å; T84-Y143 WeakPolarHBondContact O-CE2 3.31Å; K85-Y143 VanDerWaalsContact CA-CE2 3.48Å; K85-Y143 HydrophobicContact CB-CE2 4.31Å; K85-Y143 HydrophobicContact CG-CD1 4.07Å; K85-Y143 HydrophobicContact CG-CD2 4.14Å; K85-Y143 HydrophobicContact CG-CE1 4.02Å; K85-Y143 HydrophobicContact CG-CE2 4.15Å; K85-Y143 HydrophobicContact CG-CG 4.13Å; I86-Y143 PolarHBondContact N-OH 3.12Å; I86-Y143 PolarHBondContact O-OH 3.07Å; N93-Y143 WeakPolarHBondContact O-CE1 3.4Å; G96-Y143 VanDerWaalsContact CA-CZ 3.46Å; Y143-N145 PolarHBondContact O-N 3.45Å
144N89.1Confident92.9Very high145 Ų14581.3 Ų81.378%0.77547%0.471SS*.  trans-64.7132.4172.8-65.3-19.7000109.2R81R81-N144 PolarHBondContact NH1-O 3.3Å; R81-N144 PolarHBondContact NH2-O 2.99Å
145N66.7Low92.5Very high192 Ų19284.4 Ų84.4100%1.02749%0.491SS*.  trans-62.50174-83.3-1.1000111.7Y143Y143-N145 PolarHBondContact O-N 3.45Å

Retrieved 145 of 145 residues in 260.5 ms (Link to these results)

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