A0A077Z0F4_TRITR Loading...

UQ con domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0F4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 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
1M53Low88.5Confident136 Ų13677.4 Ų77.467%0.6740%0.399SS*.  0128.70-73.1-145.2-115.200111K6 M34 D61M1-K6 WeakPolarHBondContact SD-CE 3.37Å; M1-M34 HydrophobicContact SD-CE 3.43Å; M1-M34 WeakPolarHBondContact SD-CE 3.46Å; M1-M34 HydrophobicContact SD-CG 4.05Å; M1-D61 WeakPolarHBondContact CA-OD1 3.38Å; M1-D61 WeakPolarHBondContact CA-OD2 3.49Å; M1-D61 WeakPolarHBondContact CB-OD1 3.39Å; M1-D61 VanDerWaalsContact CG-OD1 3.23Å; M1-D61 WeakPolarHBondContact CG-OD1 3.2Å
2S64.9Low89.2Confident45 Ų4571.5 Ų71.532%0.31537%0.369SS..  trans-73.9132.2176.9840000109.2A4 A5 D61S2-A4 PolarHBondContact O-N 3.2Å; S2-A5 PolarHBondContact O-N 2.88Å; S2-A5 PolarHBondContact OG-N 2.95Å; S2-D61 PolarHBondContact N-OD1 3.48Å; S2-D61 VanDerWaalsContact N-OD1 3.14Å; S2-D61 PolarHBondContact OG-O 2.89Å
3N85.2Confident89.8Confident142 Ų14269.2 Ų69.276%0.75936%0.355SS*.Hα-helixtrans-62.7-21.3176.1-81.8-22.8000112.2K7N3-K7 WeakPolarHBondContact O-CB 3.28Å; N3-K7 PolarHBondContact O-N 3.48Å; N3-K7 VanDerWaalsContact O-N 3.11Å
4A93.8Very high90.2Very high67 Ų6770.5 Ų70.555%0.55436%0.359SS*.Hα-helixtrans-68.7-48.3-179.900000112.6S2 K6 K7 R8S2-A4 PolarHBondContact O-N 3.2Å; A4-K6 PolarHBondContact O-N 3.38Å; A4-K7 PolarHBondContact O-N 3Å; A4-R8 PolarHBondContact O-N 2.82Å
5A96.4Very high90.6Very high0 Ų070.9 Ų70.90%036%0.357CS..Hα-helixtrans-60.6-46.4-179.400000111.5S2 K7 R8 L9 M34 Y63S2-A5 PolarHBondContact O-N 2.88Å; S2-A5 PolarHBondContact OG-N 2.95Å; A5-K7 PolarHBondContact O-N 3.38Å; A5-R8 PolarHBondContact O-N 3.27Å; A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.04Å; A5-M34 HydrophobicContact CB-CE 4.15Å; A5-Y63 WeakPolarHBondContact CA-O 3.27Å; A5-Y63 WeakPolarHBondContact CB-O 3.43Å
6K95.2Very high90.8Very high74 Ų7466.7 Ų66.732%0.32234%0.336SS..Hα-helixtrans-61.3-44.5176.1-67.2-172.3177.9-176.70112.4M1 A4 R8 L9 L10 L33 M34M1-K6 WeakPolarHBondContact SD-CE 3.37Å; A4-K6 PolarHBondContact O-N 3.38Å; K6-R8 VanDerWaalsContact C-N 3.32Å; K6-R8 PolarHBondContact O-N 2.89Å; K6-L9 PolarHBondContact O-N 3.19Å; K6-L10 WeakPolarHBondContact O-CG 3.3Å; K6-L10 PolarHBondContact O-N 3.45Å; K6-L33 HydrophobicContact CB-CD2 3.92Å; K6-L33 HydrophobicContact CG-CD2 4.16Å; K6-M34 HydrophobicContact CG-CE 3.95Å
7K96Very high91Very high139 Ų13972 Ų7260%0.60435%0.351SS*.Hα-helixtrans-60.2-43.8177.4-176.1178.7178-178.60111.2N3 A4 A5 L10 Q11N3-K7 WeakPolarHBondContact O-CB 3.28Å; N3-K7 PolarHBondContact O-N 3.48Å; N3-K7 VanDerWaalsContact O-N 3.11Å; A4-K7 PolarHBondContact O-N 3Å; A5-K7 PolarHBondContact O-N 3.38Å; K7-L10 PolarHBondContact O-N 3.05Å; K7-Q11 WeakPolarHBondContact O-CG 3.49Å; K7-Q11 PolarHBondContact O-N 2.95Å; K7-Q11 VanDerWaalsContact O-N 3.15Å
8R97.6Very high91.1Very high47 Ų4775 Ų7518%0.17737%0.368CS..Hα-helixtrans-63.1-46.2176.5178.761-171.8-89.8-10111.7A4 A5 K6 L10 Q11 D12 Y63 P64 P98 Y100A4-R8 PolarHBondContact O-N 2.82Å; A5-R8 PolarHBondContact O-N 3.27Å; K6-R8 VanDerWaalsContact C-N 3.32Å; K6-R8 PolarHBondContact O-N 2.89Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.24Å; R8-Q11 WeakPolarHBondContact O-CA 3.44Å; R8-Q11 WeakPolarHBondContact O-CB 3.47Å; R8-Q11 PolarHBondContact O-N 2.93Å; R8-D12 IonicContact CZ-OD1 3.85Å; R8-D12 IonicContact NE-OD1 3.19Å; R8-D12 PolarHBondContact NE-OD1 3.16Å; R8-D12 IonicContact NE-OD2 2.81Å; R8-D12 IonicContact NH2-OD1 3.38Å; R8-D12 PolarHBondContact O-N 3.46Å; R8-Y63 HydrophobicContact CB-CD1 4.4Å; R8-Y63 HydrophobicContact CB-CE1 4.36Å; R8-Y63 HydrophobicContact CG-CD1 4.01Å; R8-Y63 HydrophobicContact CG-CE1 3.58Å; R8-P64 HydrophobicContact CG-CB 4.35Å; R8-P64 HydrophobicContact CG-CG 4.15Å; R8-P98 PolarHBondContact NH1-O 3.22Å; R8-Y100 PolarHBondContact NH2-O 3.28Å
9L97.9Very high91.2Very high0 Ų077.3 Ų77.30%038%0.382CS..Hα-helixtrans-61.7-37178.3-72.6167.6000112.9A5 K6 Q11 D12 F13 L33 M34 W36 F59 Y63A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.04Å; K6-L9 PolarHBondContact O-N 3.19Å; L9-Q11 VanDerWaalsContact C-N 3.31Å; L9-D12 PolarHBondContact O-N 3.42Å; L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 3.29Å; L9-L33 HydrophobicContact CB-CD1 4.17Å; L9-L33 HydrophobicContact CB-CD2 4.16Å; L9-L33 HydrophobicContact CB-CG 4Å; L9-L33 HydrophobicContact CD1-CG 4.27Å; L9-M34 HydrophobicContact CD1-SD 3.58Å; L9-M34 VanDerWaalsContact CD1-SD 3.58Å; L9-W36 HydrophobicContact CB-CZ2 4.33Å; L9-W36 HydrophobicContact CD2-CZ2 4.23Å; L9-F59 HydrophobicContact CD1-CB 4.03Å; L9-F59 HydrophobicContact CD1-CD2 4.49Å; L9-F59 HydrophobicContact CD1-CG 4.14Å; L9-F59 HydrophobicContact CD2-CB 4.42Å; L9-F59 HydrophobicContact CD2-CD1 3.51Å; L9-F59 HydrophobicContact CD2-CD2 3.9Å; L9-F59 HydrophobicContact CD2-CE1 3.61Å; L9-F59 HydrophobicContact CD2-CE2 4.02Å; L9-F59 HydrophobicContact CD2-CG 3.67Å; L9-F59 HydrophobicContact CD2-CZ 3.88Å; L9-Y63 HydrophobicContact CD1-CD1 4.48Å; L9-Y63 HydrophobicContact CD2-CD1 3.7Å; L9-Y63 HydrophobicContact CD2-CE1 3.54Å; L9-Y63 HydrophobicContact CG-CD1 3.76Å; L9-Y63 HydrophobicContact CG-CE1 3.96Å
10L96.4Very high91.1Very high91 Ų9177.2 Ų77.248%0.47639%0.387SS..Hα-helixtrans-64.5-36.8172.6-70.3173.1000111.8K6 K7 R8 F13 Q14 L33K6-L10 WeakPolarHBondContact O-CG 3.3Å; K6-L10 PolarHBondContact O-N 3.45Å; K7-L10 PolarHBondContact O-N 3.05Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.24Å; L10-F13 PolarHBondContact O-N 3.49Å; L10-Q14 VanDerWaalsContact O-CG 3.29Å; L10-Q14 WeakPolarHBondContact O-CG 3.4Å; L10-Q14 PolarHBondContact O-N 2.91Å; L10-L33 HydrophobicContact CD2-CD1 4.09Å; L10-L33 HydrophobicContact CD2-CD2 4.09Å; L10-L33 HydrophobicContact CG-CD2 3.93Å
11Q96.8Very high91.1Very high110 Ų11074.9 Ų74.951%0.51438%0.378SS..Hα-helixtrans-65.1-46.9174.6-68.4171.1-37.800111.5K7 R8 L9 F13 Q14 K15K7-Q11 WeakPolarHBondContact O-CG 3.49Å; K7-Q11 PolarHBondContact O-N 2.95Å; K7-Q11 VanDerWaalsContact O-N 3.15Å; R8-Q11 WeakPolarHBondContact O-CA 3.44Å; R8-Q11 WeakPolarHBondContact O-CB 3.47Å; R8-Q11 PolarHBondContact O-N 2.93Å; L9-Q11 VanDerWaalsContact C-N 3.31Å; Q11-F13 VanDerWaalsContact C-N 3.26Å; Q11-F13 PolarHBondContact O-N 3.47Å; Q11-Q14 PolarHBondContact O-N 3.07Å; Q11-K15 PolarHBondContact O-N 3.4Å
12D97.4Very high93Very high7 Ų775.6 Ų75.64%0.03738%0.384CS..Hα-helixtrans-60-39176.9-64.94.5000111.1R8 L9 K15 I16 W36 Y63 V102R8-D12 IonicContact CZ-OD1 3.85Å; R8-D12 IonicContact NE-OD1 3.19Å; R8-D12 PolarHBondContact NE-OD1 3.16Å; R8-D12 IonicContact NE-OD2 2.81Å; R8-D12 IonicContact NH2-OD1 3.38Å; R8-D12 PolarHBondContact O-N 3.46Å; L9-D12 PolarHBondContact O-N 3.42Å; D12-K15 WeakPolarHBondContact O-CB 3.44Å; D12-K15 PolarHBondContact O-N 3.29Å; D12-I16 PolarHBondContact O-N 2.87Å; D12-I16 VanDerWaalsContact O-N 3.09Å; D12-W36 HydrophobicContact CB-CH2 4.49Å; D12-Y63 WeakPolarHBondContact OD2-CE1 3.44Å; D12-Y63 PolarHBondContact OD2-OH 2.87Å; D12-V102 HydrophobicContact CB-CB 4.32Å; D12-V102 HydrophobicContact CB-CG2 3.88Å
13F96.8Very high94.5Very high41 Ų4174.6 Ų74.618%0.1838%0.381CS..Hα-helixtrans-65.5-43.5177.3-175-131.7000112.1L9 L10 Q11 K15 R17 P28 W36L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 3.29Å; L10-F13 PolarHBondContact O-N 3.49Å; Q11-F13 VanDerWaalsContact C-N 3.26Å; Q11-F13 PolarHBondContact O-N 3.47Å; F13-K15 VanDerWaalsContact C-N 3.3Å; F13-K15 PolarHBondContact O-N 3Å; F13-R17 HydrophobicContact CD2-CG 4.15Å; F13-R17 HydrophobicContact CE2-CG 3.84Å; F13-R17 HydrophobicContact CZ-CG 4.09Å; F13-R17 WeakPolarHBondContact O-CB 3.44Å; F13-R17 VanDerWaalsContact O-CG 3.3Å; F13-R17 WeakPolarHBondContact O-CG 3.36Å; F13-R17 PolarHBondContact O-N 3.32Å; F13-P28 VanDerWaalsContact CD2-CD 3.48Å; F13-P28 HydrophobicContact CD2-CG 4.36Å; F13-P28 HydrophobicContact CE1-CG 4.39Å; F13-P28 HydrophobicContact CE2-CG 4.26Å; F13-P28 HydrophobicContact CG-CG 4.48Å; F13-P28 HydrophobicContact CZ-CG 4.23Å; F13-W36 HydrophobicContact CB-CH2 3.46Å; F13-W36 VanDerWaalsContact CB-CH2 3.46Å; F13-W36 HydrophobicContact CB-CZ2 3.98Å; F13-W36 HydrophobicContact CB-CZ3 4.34Å; F13-W36 AromaticContact CD2-CH2 3.96Å; F13-W36 HydrophobicContact CD2-CH2 3.96Å; F13-W36 HydrophobicContact CD2-CZ3 4.05Å; F13-W36 HydrophobicContact CG-CH2 4.12Å
14Q96.1Very high95Very high88 Ų8868.1 Ų68.141%0.41135%0.347SS..Hα-helixtrans-63.9-38.7175.7-66.8-61-2000111.3L10 Q11 R17 L18L10-Q14 VanDerWaalsContact O-CG 3.29Å; L10-Q14 WeakPolarHBondContact O-CG 3.4Å; L10-Q14 PolarHBondContact O-N 2.91Å; Q11-Q14 PolarHBondContact O-N 3.07Å; Q14-R17 PolarHBondContact O-N 3.41Å; Q14-L18 WeakPolarHBondContact O-CB 3.2Å; Q14-L18 WeakPolarHBondContact O-CG 3.22Å; Q14-L18 PolarHBondContact O-N 3.03Å
15K95.5Very high95Very high76 Ų7669.2 Ų69.233%0.3334%0.344SS..Hα-helixtrans-59.2-54.2177.7-170.3-171.4175.5-161.20111.4Q11 D12 F13 R17 L18 N19 D101 E103Q11-K15 PolarHBondContact O-N 3.4Å; D12-K15 WeakPolarHBondContact O-CB 3.44Å; D12-K15 PolarHBondContact O-N 3.29Å; F13-K15 VanDerWaalsContact C-N 3.3Å; F13-K15 PolarHBondContact O-N 3Å; K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 2.99Å; K15-L18 PolarHBondContact O-N 3.35Å; K15-N19 PolarHBondContact O-N 2.79Å; K15-D101 WeakPolarHBondContact CD-OD2 3.39Å; K15-D101 WeakPolarHBondContact CE-OD2 3.19Å; K15-D101 IonicContact NZ-OD1 2.84Å; K15-D101 IonicContact NZ-OD2 3.83Å; K15-D101 PolarHBondContact NZ-OD2 2.77Å; K15-E103 WeakPolarHBondContact CE-OE1 3.22Å; K15-E103 WeakPolarHBondContact CE-OE2 3.14Å; K15-E103 IonicContact NZ-OE1 2.76Å; K15-E103 PolarHBondContact NZ-OE1 3.39Å; K15-E103 IonicContact NZ-OE2 3.86Å; K15-E103 PolarHBondContact NZ-OE2 3.33Å
16I94.4Very high95.1Very high4 Ų469.4 Ų69.42%0.02135%0.345CS..Hα-helixtrans-62-38.3179.5-71.3171.1000111.7D12 N19 P20 A26 W36 V102 E103D12-I16 PolarHBondContact O-N 2.87Å; D12-I16 VanDerWaalsContact O-N 3.09Å; I16-N19 CarbonylContact O-C 3.55Å; I16-P20 WeakPolarHBondContact O-CA 3.18Å; I16-P20 WeakPolarHBondContact O-CB 3.4Å; I16-P20 WeakPolarHBondContact O-CD 3.48Å; I16-P20 VanDerWaalsContact O-N 3.11Å; I16-A26 HydrophobicContact CD1-CB 4.36Å; I16-W36 HydrophobicContact CD1-CZ3 4.35Å; I16-V102 HydrophobicContact CD1-CB 3.59Å; I16-V102 HydrophobicContact CD1-CG1 3.35Å; I16-E103 HydrophobicContact CD1-CB 4.45Å; I16-E103 HydrophobicContact CG1-CB 4.11Å
17R93.2Very high95.2Very high157 Ų15768.5 Ų68.559%0.59235%0.348SS*.Hα-helixtrans-67.9-37.3178.3-78.2-175.466.9-155.74.3113.6F13 Q14 K15F13-R17 HydrophobicContact CD2-CG 4.15Å; F13-R17 HydrophobicContact CE2-CG 3.84Å; F13-R17 HydrophobicContact CZ-CG 4.09Å; F13-R17 WeakPolarHBondContact O-CB 3.44Å; F13-R17 VanDerWaalsContact O-CG 3.3Å; F13-R17 WeakPolarHBondContact O-CG 3.36Å; F13-R17 PolarHBondContact O-N 3.32Å; Q14-R17 PolarHBondContact O-N 3.41Å; K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 2.99Å
18L93.9Very high95.2Very high126 Ų12663.3 Ų63.366%0.6633%0.329SS*.Hα-helixtrans-81.4-37.1-176.8-70.1171.9000111.7Q14 K15Q14-L18 WeakPolarHBondContact O-CB 3.2Å; Q14-L18 WeakPolarHBondContact O-CG 3.22Å; Q14-L18 PolarHBondContact O-N 3.03Å; K15-L18 PolarHBondContact O-N 3.35Å
19N92.2Very high95.1Very high118 Ų11866.8 Ų66.863%0.63135%0.345SS*.SBendtrans-136.674.8-179.1-57.7-61.3000109.6K15 I16K15-N19 PolarHBondContact O-N 2.79Å; I16-N19 CarbonylContact O-C 3.55Å
20P89.7Confident94.9Very high76 Ų7674.8 Ų74.849%0.49438%0.38SS..PPolyproline II helixtrans-64.6132.317926.3-33000109.7I16I16-P20 WeakPolarHBondContact O-CA 3.18Å; I16-P20 WeakPolarHBondContact O-CB 3.4Å; I16-P20 WeakPolarHBondContact O-CD 3.48Å; I16-P20 VanDerWaalsContact O-N 3.11Å
21P91.3Very high94.7Very high29 Ų2974.7 Ų74.719%0.18840%0.401CS..PPolyproline II helixtrans-73.7153.3176.9-2.219.2000110.3G23 V24 E103P21-G23 PolarHBondContact O-N 2.93Å; P21-V24 HydrophobicContact CB-CG2 3.57Å; P21-V24 HydrophobicContact CG-CG2 3.36Å; P21-V24 PolarHBondContact O-N 3.02Å; P21-E103 HydrophobicContact CG-CB 4.32Å; P21-E103 HydrophobicContact CG-CG 3.57Å
22D93.6Very high94.7Very high150 Ų15071.8 Ų71.880%0.80239%0.389SS*.THydrogen-bonded Turntrans-60.2126.5-179.4-72.9-18.1000111.1V24 Q110D22-V24 VanDerWaalsContact C-N 3.27Å; D22-V24 PolarHBondContact O-N 3.22Å; D22-Q110 PolarHBondContact O-NE2 3.44Å; D22-Q110 PolarHBondContact O-OE1 3.25Å
23G95.2Very high94.6Very high25 Ų2573.2 Ų73.226%0.25840%0.397SS..THydrogen-bonded Turntrans76.92.317500000115.4P21 I40 F41P21-G23 PolarHBondContact O-N 2.93Å; G23-I40 CarbonylContact O-C 3.57Å; G23-I40 WeakPolarHBondContact O-CA 3.24Å; G23-F41 WeakPolarHBondContact O-CD2 3.33Å; G23-F41 PolarHBondContact O-N 3.41Å
24V95.6Very high94.6Very high6 Ų672 Ų724%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-131.4145.2177.4-48.50000111.9P21 D22 V39 I40 L106 Q110P21-V24 HydrophobicContact CB-CG2 3.57Å; P21-V24 HydrophobicContact CG-CG2 3.36Å; P21-V24 PolarHBondContact O-N 3.02Å; D22-V24 VanDerWaalsContact C-N 3.27Å; D22-V24 PolarHBondContact O-N 3.22Å; V24-V39 WeakPolarHBondContact CA-O 3.32Å; V24-I40 HydrophobicContact CB-CG1 4.43Å; V24-I40 HydrophobicContact CG1-CG1 4Å; V24-I40 HydrophobicContact CG1-CG2 4.46Å; V24-L106 HydrophobicContact CB-CB 4.16Å; V24-L106 HydrophobicContact CG1-CB 4.4Å; V24-L106 HydrophobicContact CG2-CB 4.27Å; V24-Q110 HydrophobicContact CG1-CB 4.14Å; V24-Q110 HydrophobicContact CG1-CG 4.5Å
25N94.9Very high94.7Very high90 Ų9071.7 Ų71.748%0.48139%0.389SS..EExtended strand (participates in β ladder)trans-150.1150.8175.6-158.5-21.8000110.5A38 V39N25-A38 CarbonylContact O-C 3.6Å; N25-A38 WeakPolarHBondContact O-CA 3.31Å; N25-A38 WeakPolarHBondContact O-CB 3.11Å; N25-V39 PolarHBondContact N-O 3.21Å; N25-V39 PolarHBondContact O-N 3.25Å
26A97.1Very high94.8Very high3 Ų368.2 Ų68.23%0.02537%0.374CS..EExtended strand (participates in β ladder)trans-154.3151.2175.600000113.5I16 W36 K37 A38 V102 L106I16-A26 HydrophobicContact CD1-CB 4.36Å; A26-W36 HydrophobicContact CB-CE3 3.91Å; A26-W36 HydrophobicContact CB-CZ3 4.31Å; A26-K37 CarbonylContact C-O 3.54Å; A26-K37 VanDerWaalsContact CA-O 3.3Å; A26-K37 WeakPolarHBondContact CA-O 3.25Å; A26-A38 HydrophobicContact CB-CB 3.69Å; A26-V102 HydrophobicContact CB-CG1 4.05Å; A26-L106 HydrophobicContact CB-CD1 3.59Å
27S96.9Very high95Very high56 Ų5673.1 Ų73.139%0.39240%0.395SS..EExtended strand (participates in β ladder)trans-149.1148.8176.958.30000112.1W36 K37S27-W36 CarbonylContact O-C 3.48Å; S27-W36 VanDerWaalsContact O-CA 3.24Å; S27-W36 WeakPolarHBondContact O-CA 3.36Å; S27-W36 WeakPolarHBondContact O-CB 3.48Å; S27-K37 PolarHBondContact N-O 3.09Å; S27-K37 PolarHBondContact O-N 3.35Å
28P97.4Very high95.2Very high30 Ų3065.7 Ų65.720%0.19537%0.367CS..EExtended strand (participates in β ladder)trans-66.6146.3172.628.3-33.2000110.6F13 L33 W36F13-P28 VanDerWaalsContact CD2-CD 3.48Å; F13-P28 HydrophobicContact CD2-CG 4.36Å; F13-P28 HydrophobicContact CE1-CG 4.39Å; F13-P28 HydrophobicContact CE2-CG 4.26Å; F13-P28 HydrophobicContact CG-CG 4.48Å; F13-P28 HydrophobicContact CZ-CG 4.23Å; P28-L33 HydrophobicContact CB-CD1 4.01Å; P28-L33 HydrophobicContact CG-CD1 4.26Å; P28-W36 HydrophobicContact CB-CD2 4.27Å; P28-W36 HydrophobicContact CB-CG 4.32Å
29K95.7Very high95.3Very high120 Ų12061.7 Ų61.752%0.52235%0.348SS..EExtended strand (participates in β ladder)trans-65139.9171.8-173.1176.9179.2178.80109.2G31 D32 K35K29-G31 PolarHBondContact O-N 2.95Å; K29-G31 VanDerWaalsContact O-N 3.11Å; K29-D32 CarbonylContact O-C 3.56Å; K29-D32 PolarHBondContact O-N 2.99Å; K29-K35 HydrophobicContact CB-CB 4.42Å; K29-K35 WeakPolarHBondContact CB-O 3.5Å; K29-K35 PolarHBondContact N-O 3.23Å
30K92.6Very high95.6Very high167 Ų16756 Ų5673%0.72632%0.318SS*.THydrogen-bonded Turntrans-50120.1175-169.2177.2-177.5-179.80109.7D32 D161K30-D32 PolarHBondContact O-N 2.8Å; K30-D161 IonicContact NZ-OD1 3.33Å; K30-D161 PolarHBondContact NZ-OD1 2.9Å; K30-D161 IonicContact NZ-OD2 2.72Å; K30-D161 PolarHBondContact NZ-OD2 3.16Å
31G93.7Very high96Very high90 Ų9057.3 Ų57.393%0.92832%0.315SS*.THydrogen-bonded Turntrans82.8-4.7179.400000116.8K29K29-G31 PolarHBondContact O-N 2.95Å; K29-G31 VanDerWaalsContact O-N 3.11Å
32D95.2Very high96.3Very high49 Ų4956.4 Ų56.426%0.26231%0.312SS..EExtended strand (participates in β ladder)trans-140.195-178.7-169.6-5.3000112K29 K30 M34 K35K29-D32 CarbonylContact O-C 3.56Å; K29-D32 PolarHBondContact O-N 2.99Å; K30-D32 PolarHBondContact O-N 2.8Å; D32-M34 PolarHBondContact O-N 3.16Å; D32-M34 WeakPolarHBondContact OD1-CB 3.32Å; D32-M34 PolarHBondContact OD1-N 3.16Å; D32-K35 PolarHBondContact O-N 2.94Å; D32-K35 VanDerWaalsContact O-O 3.08Å; D32-K35 VanDerWaalsContact OD2-CD 3.28Å; D32-K35 WeakPolarHBondContact OD2-CD 3.44Å; D32-K35 WeakPolarHBondContact OD2-CE 3.36Å; D32-K35 WeakPolarHBondContact OD2-CG 3.45Å
33L95.9Very high96.5Very high37 Ų3750.3 Ų50.319%0.19428%0.28CS..EExtended strand (participates in β ladder)trans-64.9-17.6178.4-173.763000113.1K6 L9 L10 P28 K35 W36K6-L33 HydrophobicContact CB-CD2 3.92Å; K6-L33 HydrophobicContact CG-CD2 4.16Å; L9-L33 HydrophobicContact CB-CD1 4.17Å; L9-L33 HydrophobicContact CB-CD2 4.16Å; L9-L33 HydrophobicContact CB-CG 4Å; L9-L33 HydrophobicContact CD1-CG 4.27Å; L10-L33 HydrophobicContact CD2-CD1 4.09Å; L10-L33 HydrophobicContact CD2-CD2 4.09Å; L10-L33 HydrophobicContact CG-CD2 3.93Å; P28-L33 HydrophobicContact CB-CD1 4.01Å; P28-L33 HydrophobicContact CG-CD1 4.26Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-W36 HydrophobicContact CD1-CZ2 4.45Å; L33-W36 PolarHBondContact O-NE1 2.97Å
34M96.8Very high96.5Very high15 Ų1556.8 Ų56.87%0.07430%0.301CS..EExtended strand (participates in β ladder)trans-87-4-179.2-62.8-61.8-171.100112.8M1 A5 K6 L9 D32 F59M1-M34 HydrophobicContact SD-CE 3.43Å; M1-M34 WeakPolarHBondContact SD-CE 3.46Å; M1-M34 HydrophobicContact SD-CG 4.05Å; A5-M34 HydrophobicContact CB-CE 4.15Å; K6-M34 HydrophobicContact CG-CE 3.95Å; L9-M34 HydrophobicContact CD1-SD 3.58Å; L9-M34 VanDerWaalsContact CD1-SD 3.58Å; D32-M34 PolarHBondContact O-N 3.16Å; D32-M34 WeakPolarHBondContact OD1-CB 3.32Å; D32-M34 PolarHBondContact OD1-N 3.16Å; M34-F59 WeakPolarHBondContact O-CD2 3.48Å; M34-F59 PolarHBondContact O-N 3.18Å; M34-F59 HydrophobicContact SD-CB 4.06Å
35K98Very high96.5Very high82 Ų8263.9 Ų63.936%0.35734%0.339SS..EExtended strand (participates in β ladder)trans-127.1125.1177.4-65.5-175.2-172.51790110.2K29 D32 L33 M57K29-K35 HydrophobicContact CB-CB 4.42Å; K29-K35 WeakPolarHBondContact CB-O 3.5Å; K29-K35 PolarHBondContact N-O 3.23Å; D32-K35 PolarHBondContact O-N 2.94Å; D32-K35 VanDerWaalsContact O-O 3.08Å; D32-K35 VanDerWaalsContact OD2-CD 3.28Å; D32-K35 WeakPolarHBondContact OD2-CD 3.44Å; D32-K35 WeakPolarHBondContact OD2-CE 3.36Å; D32-K35 WeakPolarHBondContact OD2-CG 3.45Å; L33-K35 VanDerWaalsContact C-N 3.33Å; K35-M57 WeakPolarHBondContact CA-O 3.43Å
36W98.3Very high96.6Very high2 Ų260.2 Ų60.21%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-121.7145.6-177.5-69.947.3000110.5L9 D12 F13 I16 A26 S27 P28 L33 E56 M57 F59 V102L9-W36 HydrophobicContact CB-CZ2 4.33Å; L9-W36 HydrophobicContact CD2-CZ2 4.23Å; D12-W36 HydrophobicContact CB-CH2 4.49Å; F13-W36 HydrophobicContact CB-CH2 3.46Å; F13-W36 VanDerWaalsContact CB-CH2 3.46Å; F13-W36 HydrophobicContact CB-CZ2 3.98Å; F13-W36 HydrophobicContact CB-CZ3 4.34Å; F13-W36 AromaticContact CD2-CH2 3.96Å; F13-W36 HydrophobicContact CD2-CH2 3.96Å; F13-W36 HydrophobicContact CD2-CZ3 4.05Å; F13-W36 HydrophobicContact CG-CH2 4.12Å; I16-W36 HydrophobicContact CD1-CZ3 4.35Å; A26-W36 HydrophobicContact CB-CE3 3.91Å; A26-W36 HydrophobicContact CB-CZ3 4.31Å; S27-W36 CarbonylContact O-C 3.48Å; S27-W36 VanDerWaalsContact O-CA 3.24Å; S27-W36 WeakPolarHBondContact O-CA 3.36Å; S27-W36 WeakPolarHBondContact O-CB 3.48Å; P28-W36 HydrophobicContact CB-CD2 4.27Å; P28-W36 HydrophobicContact CB-CG 4.32Å; L33-W36 HydrophobicContact CD1-CZ2 4.45Å; L33-W36 PolarHBondContact O-NE1 2.97Å; W36-E56 WeakPolarHBondContact O-CA 3.27Å; W36-M57 HydrophobicContact CB-CB 4.24Å; W36-M57 PolarHBondContact N-O 2.97Å; W36-M57 PolarHBondContact O-N 3.3Å; W36-F59 HydrophobicContact CB-CE2 4.09Å; W36-F59 AromaticContact CD1-CD2 3.74Å; W36-F59 AromaticContact CD1-CE2 3.38Å; W36-F59 HydrophobicContact CD2-CE2 4.17Å; W36-F59 HydrophobicContact CG-CD2 4.42Å; W36-F59 AromaticContact CG-CE2 3.65Å; W36-F59 HydrophobicContact CG-CE2 3.65Å; W36-F59 HydrophobicContact CG-CZ 4.5Å; W36-F59 AromaticContact NE1-CE2 3.79Å; W36-V102 HydrophobicContact CE3-CG1 4.14Å; W36-V102 HydrophobicContact CH2-CG2 4.22Å; W36-V102 HydrophobicContact CZ3-CB 4.44Å; W36-V102 HydrophobicContact CZ3-CG1 3.99Å; W36-V102 HydrophobicContact CZ3-CG2 4.2Å
37K97.6Very high96.7Very high107 Ų10760.7 Ų60.747%0.46532%0.323SS..EExtended strand (participates in β ladder)trans-97.6136.8163.3-68.1-171.1174.7-175.70108A26 S27 N155A26-K37 CarbonylContact C-O 3.54Å; A26-K37 VanDerWaalsContact CA-O 3.3Å; A26-K37 WeakPolarHBondContact CA-O 3.25Å; S27-K37 PolarHBondContact N-O 3.09Å; S27-K37 PolarHBondContact O-N 3.35Å; K37-N155 PolarHBondContact NZ-OD1 3.39Å
38A97.6Very high96.7Very high2 Ų258.1 Ų58.12%0.01731%0.305CS..EExtended strand (participates in β ladder)trans-128.6156.6173.100000110.9N25 A26 M54 L55 M57 L106N25-A38 CarbonylContact O-C 3.6Å; N25-A38 WeakPolarHBondContact O-CA 3.31Å; N25-A38 WeakPolarHBondContact O-CB 3.11Å; A26-A38 HydrophobicContact CB-CB 3.69Å; A38-M54 CarbonylContact O-C 3.59Å; A38-M54 WeakPolarHBondContact O-CA 3.4Å; A38-L55 HydrophobicContact CB-CB 4.28Å; A38-L55 PolarHBondContact N-O 2.88Å; A38-L55 PolarHBondContact O-N 3.2Å; A38-M57 HydrophobicContact CB-SD 4.46Å; A38-L106 HydrophobicContact CB-CD1 3.93Å; A38-L106 HydrophobicContact CB-CD2 3.6Å; A38-L106 HydrophobicContact CB-CG 4.44Å
39V97.2Very high96.7Very high41 Ų4160 Ų6025%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-128.6132.3174.6-177.90000107.6V24 N25 I52 F53 M54V24-V39 WeakPolarHBondContact CA-O 3.32Å; N25-V39 PolarHBondContact N-O 3.21Å; N25-V39 PolarHBondContact O-N 3.25Å; V39-I52 HydrophobicContact CG1-CG2 3.72Å; V39-F53 CarbonylContact C-O 3.49Å; V39-F53 WeakPolarHBondContact CA-O 3.3Å; V39-M54 HydrophobicContact CG2-CG 4.42Å
40I97.6Very high96.8Very high0 Ų059.9 Ų59.90%032%0.316CS..EExtended strand (participates in β ladder)trans-120123.7170.6-66.7176.5000107.4G23 V24 F53 L55 L106 V109 Q110 L113G23-I40 CarbonylContact O-C 3.57Å; G23-I40 WeakPolarHBondContact O-CA 3.24Å; V24-I40 HydrophobicContact CB-CG1 4.43Å; V24-I40 HydrophobicContact CG1-CG1 4Å; V24-I40 HydrophobicContact CG1-CG2 4.46Å; I40-F53 PolarHBondContact N-O 3.03Å; I40-F53 PolarHBondContact O-N 3.07Å; I40-L55 HydrophobicContact CB-CD1 4.07Å; I40-L55 HydrophobicContact CD1-CD1 3.72Å; I40-L55 HydrophobicContact CD1-CD2 4.13Å; I40-L55 HydrophobicContact CG1-CD1 3.69Å; I40-L106 HydrophobicContact CD1-CD2 4.12Å; I40-L106 HydrophobicContact CG1-CD2 4.4Å; I40-V109 HydrophobicContact CD1-CB 3.76Å; I40-V109 HydrophobicContact CD1-CG1 3.57Å; I40-Q110 HydrophobicContact CG2-CB 3.84Å; I40-Q110 HydrophobicContact CG2-CG 3.91Å; I40-L113 HydrophobicContact CG2-CD1 4.15Å
41F97.5Very high97Very high102 Ų10252 Ų5245%0.44728%0.282SS..EExtended strand (participates in β ladder)trans-79.3136.6167.2-65.7-71.4000109.5G23 G51 I52 Q110G23-F41 WeakPolarHBondContact O-CD2 3.33Å; G23-F41 PolarHBondContact O-N 3.41Å; F41-G51 WeakPolarHBondContact CA-O 3.5Å; F41-I52 HydrophobicContact CD1-CG1 4.08Å; F41-I52 HydrophobicContact CE1-CD1 4.33Å; F41-I52 HydrophobicContact CE1-CG1 3.94Å; F41-I52 HydrophobicContact CE1-CG2 4.17Å; F41-Q110 PolarHBondContact O-NE2 2.86Å
42G97.7Very high97.2Very high11 Ų1149.8 Ų49.811%0.11325%0.248CC..PPolyproline II helixtrans-56131.6175.300000111.8Y48 G51G42-Y48 WeakPolarHBondContact CA-O 3.35Å; G42-G51 PolarHBondContact N-O 3.34Å
43P97.6Very high97.4Very high22 Ų2247.5 Ų47.514%0.14324%0.236CC..PPolyproline II helixtrans-62.6147.5178.3-18.430.2000111.7T46 E49 Q110 L113 D114P43-T46 HydrophobicContact CB-CG2 3.82Å; P43-T46 HydrophobicContact CG-CG2 4.42Å; P43-T46 PolarHBondContact O-OG1 3.16Å; P43-E49 WeakPolarHBondContact O-CA 3.14Å; P43-Q110 HydrophobicContact CG-CG 3.85Å; P43-L113 HydrophobicContact CG-CB 4.28Å; P43-D114 HydrophobicContact CB-CB 4.43Å; P43-D114 HydrophobicContact CG-CB 4.26Å
44K96.5Very high97.5Very high160 Ų16047.2 Ų47.270%0.69623%0.234SC*.THydrogen-bonded Turntrans-63.2152.8174.9-64.4-175.3178.7-178.10111.3T46K44-T46 PolarHBondContact O-N 2.9Å
45D95.7Very high97.5Very high156 Ų15646.6 Ų46.683%0.83423%0.231SC*.THydrogen-bonded Turntrans62.519.7178.7-55.9-59000113.5E49D45-E49 PolarHBondContact N-OE2 3.24Å
46T97Very high97.5Very high12 Ų1245 Ų457%0.07423%0.225CC..SBendtrans-117.2159174.477.20000110.8P43 K44 Y48 E49 D114P43-T46 HydrophobicContact CB-CG2 3.82Å; P43-T46 HydrophobicContact CG-CG2 4.42Å; P43-T46 PolarHBondContact O-OG1 3.16Å; K44-T46 PolarHBondContact O-N 2.9Å; T46-Y48 PolarHBondContact O-N 3.44Å; T46-Y48 WeakPolarHBondContact OG1-CB 3.4Å; T46-Y48 PolarHBondContact OG1-N 3.41Å; T46-Y48 VanDerWaalsContact OG1-N 3.15Å; T46-E49 VanDerWaalsContact O-CB 3.31Å; T46-E49 WeakPolarHBondContact O-CB 3.31Å; T46-E49 PolarHBondContact O-N 2.81Å; T46-E49 VanDerWaalsContact O-N 3.07Å; T46-E49 PolarHBondContact OG1-N 2.97Å; T46-D114 HydrophobicContact CG2-CB 4.22Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.43Å
47P97.7Very high97.5Very high14 Ų1444.9 Ų44.99%0.09122%0.224CC..THydrogen-bonded Turntrans-59-17.6170.9-23.935.3000113.9Y137 N138 V141 H142P47-Y137 HydrophobicContact CG-CE1 4.38Å; P47-N138 HydrophobicContact CB-CB 4.46Å; P47-N138 WeakPolarHBondContact CG-OD1 3.4Å; P47-V141 HydrophobicContact CB-CB 3.96Å; P47-V141 HydrophobicContact CB-CG1 3.82Å; P47-V141 HydrophobicContact CB-CG2 4.41Å; P47-V141 VanDerWaalsContact O-CG1 3.27Å; P47-V141 WeakPolarHBondContact O-CG1 3.45Å; P47-H142 PolarHBondContact O-ND1 2.83Å
48Y98.2Very high97.6Very high1 Ų142.1 Ų42.10%0.00421%0.214CC..THydrogen-bonded Turntrans-86.6-7.8179.4-63.1-79.5000113.7G42 T46 G51 F53 M76 F77 H78 L113 Y137 V141G42-Y48 WeakPolarHBondContact CA-O 3.35Å; T46-Y48 PolarHBondContact O-N 3.44Å; T46-Y48 WeakPolarHBondContact OG1-CB 3.4Å; T46-Y48 PolarHBondContact OG1-N 3.41Å; T46-Y48 VanDerWaalsContact OG1-N 3.15Å; Y48-G51 PolarHBondContact O-N 3.12Å; Y48-F53 HydrophobicContact CD1-CE2 4.18Å; Y48-F53 AromaticContact CD1-CZ 3.84Å; Y48-F53 HydrophobicContact CD1-CZ 3.84Å; Y48-M76 HydrophobicContact CE1-CE 4.31Å; Y48-F77 PolarHBondContact OH-O 3.5Å; Y48-H78 AromaticContact CE2-CD2 3.89Å; Y48-H78 AromaticContact CZ-CD2 3.61Å; Y48-H78 WeakPolarHBondContact OH-CA 3.35Å; Y48-H78 PolarHBondContact OH-CD2 2.85Å; Y48-L113 HydrophobicContact CD1-CD2 4.36Å; Y48-L113 HydrophobicContact CD2-CB 3.99Å; Y48-L113 VanDerWaalsContact CD2-O 3.25Å; Y48-L113 WeakPolarHBondContact CD2-O 3.41Å; Y48-L113 HydrophobicContact CE1-CD2 4.31Å; Y48-L113 HydrophobicContact CE2-CB 4.43Å; Y48-L113 WeakPolarHBondContact CE2-O 3.02Å; Y48-L113 HydrophobicContact CG-CB 4.3Å; Y48-Y137 PolarHBondContact OH-OH 3.3Å; Y48-V141 HydrophobicContact CD1-CG1 3.34Å; Y48-V141 HydrophobicContact CD2-CG1 4.23Å; Y48-V141 HydrophobicContact CE1-CB 4.33Å; Y48-V141 HydrophobicContact CE1-CG1 3.32Å; Y48-V141 HydrophobicContact CE1-CG2 4.04Å; Y48-V141 HydrophobicContact CE2-CG1 4.23Å; Y48-V141 HydrophobicContact CE2-CG2 4.5Å; Y48-V141 HydrophobicContact CG-CG1 3.79Å
49E97.9Very high97.6Very high70 Ų7042.4 Ų42.433%0.32722%0.215SC..THydrogen-bonded Turntrans-47.5143.5-179.1-174.5164.5-168.300111.8P43 D45 T46 G51P43-E49 WeakPolarHBondContact O-CA 3.14Å; D45-E49 PolarHBondContact N-OE2 3.24Å; T46-E49 VanDerWaalsContact O-CB 3.31Å; T46-E49 WeakPolarHBondContact O-CB 3.31Å; T46-E49 PolarHBondContact O-N 2.81Å; T46-E49 VanDerWaalsContact O-N 3.07Å; T46-E49 PolarHBondContact OG1-N 2.97Å; E49-G51 PolarHBondContact O-N 3.13Å; E49-G51 VanDerWaalsContact O-N 3.08Å
50D96.6Very high97.5Very high118 Ų11843.9 Ų43.963%0.63122%0.221SC*.THydrogen-bonded Turntrans63.21.1-172.9-58.4-40000116.2W149D50-W149 HydrophobicContact CB-CZ2 4.42Å; D50-W149 PolarHBondContact O-NE1 2.94Å
51G97.8Very high97.4Very high0 Ų046.6 Ų46.60%024%0.236CC..  trans-69.2143.4172.700000113.2F41 G42 Y48 E49F41-G51 WeakPolarHBondContact CA-O 3.5Å; G42-G51 PolarHBondContact N-O 3.34Å; Y48-G51 PolarHBondContact O-N 3.12Å; E49-G51 PolarHBondContact O-N 3.13Å; E49-G51 VanDerWaalsContact O-N 3.08Å
52I97.7Very high97.4Very high45 Ų4546.3 Ų46.323%0.23124%0.236CC..EExtended strand (participates in β ladder)trans-118.587.1176.9-50.8178.1000108.8V39 F41 S148 A152V39-I52 HydrophobicContact CG1-CG2 3.72Å; F41-I52 HydrophobicContact CD1-CG1 4.08Å; F41-I52 HydrophobicContact CE1-CD1 4.33Å; F41-I52 HydrophobicContact CE1-CG1 3.94Å; F41-I52 HydrophobicContact CE1-CG2 4.17Å; I52-S148 PolarHBondContact N-OG 2.92Å; I52-S148 WeakPolarHBondContact O-CB 3.31Å; I52-A152 HydrophobicContact CB-CB 4.5Å; I52-A152 HydrophobicContact CD1-CB 4.27Å; I52-A152 HydrophobicContact CG2-CB 4.13Å
53F98Very high97.4Very high0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-93.5119.6-172-52.8-68.9000110.9V39 I40 Y48 L55 F72 M76 L113 T144 V145V39-F53 CarbonylContact C-O 3.49Å; V39-F53 WeakPolarHBondContact CA-O 3.3Å; I40-F53 PolarHBondContact N-O 3.03Å; I40-F53 PolarHBondContact O-N 3.07Å; Y48-F53 HydrophobicContact CD1-CE2 4.18Å; Y48-F53 AromaticContact CD1-CZ 3.84Å; Y48-F53 HydrophobicContact CD1-CZ 3.84Å; F53-L55 WeakPolarHBondContact O-CD1 3.48Å; F53-F72 HydrophobicContact CB-CD1 3.99Å; F53-F72 HydrophobicContact CB-CE1 3.75Å; F53-F72 HydrophobicContact CG-CE1 4.49Å; F53-M76 HydrophobicContact CB-SD 4.35Å; F53-M76 HydrophobicContact CD1-CE 4.04Å; F53-M76 HydrophobicContact CD1-SD 3.35Å; F53-M76 WeakPolarHBondContact CD1-SD 3.14Å; F53-M76 HydrophobicContact CE1-CE 4.26Å; F53-M76 HydrophobicContact CE1-SD 3.83Å; F53-M76 HydrophobicContact CG-CE 4.26Å; F53-M76 HydrophobicContact CG-SD 3.96Å; F53-L113 HydrophobicContact CD2-CD1 4.02Å; F53-L113 HydrophobicContact CE2-CD1 4.25Å; F53-T144 HydrophobicContact CE1-CG2 4.17Å; F53-V145 HydrophobicContact CZ-CG2 4.07Å
54M97.7Very high97.3Very high32 Ų3246.2 Ų46.216%0.15823%0.233CC..EExtended strand (participates in β ladder)trans-90142.3176.2-66.6-170.4-67.200110.9A38 V39 F72 T73 S74 N151A38-M54 CarbonylContact O-C 3.59Å; A38-M54 WeakPolarHBondContact O-CA 3.4Å; V39-M54 HydrophobicContact CG2-CG 4.42Å; M54-F72 WeakPolarHBondContact O-CA 3.36Å; M54-T73 WeakPolarHBondContact CB-OG1 3.19Å; M54-T73 PolarHBondContact O-N 2.9Å; M54-T73 PolarHBondContact O-OG1 3.18Å; M54-S74 PolarHBondContact N-OG 3.41Å; M54-S74 PolarHBondContact O-N 2.94Å; M54-N151 HydrophobicContact CE-CB 3.39Å
55L98.1Very high97.4Very high2 Ų244.2 Ų44.21%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-130.8155.1177.7-54.391.3000110.9A38 I40 F53 V70 R71 F72 V109A38-L55 HydrophobicContact CB-CB 4.28Å; A38-L55 PolarHBondContact N-O 2.88Å; A38-L55 PolarHBondContact O-N 3.2Å; I40-L55 HydrophobicContact CB-CD1 4.07Å; I40-L55 HydrophobicContact CD1-CD1 3.72Å; I40-L55 HydrophobicContact CD1-CD2 4.13Å; I40-L55 HydrophobicContact CG1-CD1 3.69Å; F53-L55 WeakPolarHBondContact O-CD1 3.48Å; L55-V70 HydrophobicContact CD2-CG1 3.99Å; L55-R71 CarbonylContact C-O 3.47Å; L55-R71 VanDerWaalsContact CA-O 3.23Å; L55-R71 WeakPolarHBondContact CA-O 3.32Å; L55-R71 WeakPolarHBondContact CB-O 3.27Å; L55-F72 HydrophobicContact CD1-CD1 4.13Å; L55-F72 HydrophobicContact CD1-CE1 3.93Å; L55-F72 HydrophobicContact CD2-CD1 3.88Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.69Å; L55-F72 HydrophobicContact CD2-CE2 4.17Å; L55-F72 HydrophobicContact CD2-CG 4.21Å; L55-F72 HydrophobicContact CD2-CZ 3.86Å; L55-F72 HydrophobicContact CG-CD1 3.62Å; L55-F72 HydrophobicContact CG-CE1 3.76Å; L55-F72 HydrophobicContact CG-CG 4.19Å; L55-F72 HydrophobicContact CG-CZ 4.43Å; L55-V109 HydrophobicContact CD2-CG1 3.97Å
56E98.1Very high97.4Very high47 Ų4742.2 Ų42.222%0.2221%0.212CC..EExtended strand (participates in β ladder)trans-112.4134.4166.3-176.8177.7-125.500109.2W36 I58 V70 R71 T73W36-E56 WeakPolarHBondContact O-CA 3.27Å; E56-I58 HydrophobicContact CG-CD1 4.45Å; E56-I58 HydrophobicContact CG-CG1 4Å; E56-V70 WeakPolarHBondContact O-CA 3.35Å; E56-R71 HydrophobicContact CB-CG 4.24Å; E56-R71 PolarHBondContact N-O 3.25Å; E56-R71 PolarHBondContact O-N 2.89Å; E56-R71 IonicContact OE2-CZ 2.86Å; E56-R71 IonicContact OE2-NE 2.85Å; E56-R71 PolarHBondContact OE2-NE 3.03Å; E56-R71 IonicContact OE2-NH2 2.7Å; E56-R71 PolarHBondContact OE2-NH2 3.36Å; E56-T73 HydrophobicContact CB-CG2 3.9Å
57M98.5Very high97.5Very high0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-117.2126.5171.2-51.1176.873.200109.5K35 W36 A38 F59 P68 Q69 V70 V102 V105 L106K35-M57 WeakPolarHBondContact CA-O 3.43Å; W36-M57 HydrophobicContact CB-CB 4.24Å; W36-M57 PolarHBondContact N-O 2.97Å; W36-M57 PolarHBondContact O-N 3.3Å; A38-M57 HydrophobicContact CB-SD 4.46Å; M57-F59 HydrophobicContact CB-CE2 3.77Å; M57-F59 HydrophobicContact CB-CZ 3.97Å; M57-F59 HydrophobicContact CE-CZ 3.98Å; M57-F59 HydrophobicContact SD-CZ 4.43Å; M57-P68 HydrophobicContact CE-CG 3.96Å; M57-Q69 CarbonylContact C-O 3.33Å; M57-Q69 VanDerWaalsContact CA-O 3.31Å; M57-Q69 WeakPolarHBondContact CA-O 3.47Å; M57-V70 HydrophobicContact CE-CG2 4.02Å; M57-V70 HydrophobicContact CG-CG1 4.29Å; M57-V70 HydrophobicContact CG-CG2 4.22Å; M57-V102 HydrophobicContact CE-CG1 4.09Å; M57-V102 HydrophobicContact SD-CG1 3.8Å; M57-V105 HydrophobicContact CE-CB 4.13Å; M57-V105 HydrophobicContact CE-CG1 3.72Å; M57-L106 HydrophobicContact SD-CD1 4.37Å; M57-L106 HydrophobicContact SD-CD2 3.94Å; M57-L106 HydrophobicContact SD-CG 4.19Å
58I98.2Very high97.5Very high49 Ų4943 Ų4325%0.25122%0.218SC..EExtended strand (participates in β ladder)trans-117118.7-179.9-53.4177.3000108.9E56 P68 Q69E56-I58 HydrophobicContact CG-CD1 4.45Å; E56-I58 HydrophobicContact CG-CG1 4Å; I58-P68 WeakPolarHBondContact O-CA 3.48Å; I58-Q69 HydrophobicContact CB-CB 4.32Å; I58-Q69 PolarHBondContact N-O 3.33Å; I58-Q69 PolarHBondContact O-N 3.42Å
59F97.9Very high97.5Very high9 Ų949.7 Ų49.74%0.03925%0.249CC..  trans-99.8158.8178.6-55.3-92.3000110.3L9 M34 W36 M57 Y63 P68 V102L9-F59 HydrophobicContact CD1-CB 4.03Å; L9-F59 HydrophobicContact CD1-CD2 4.49Å; L9-F59 HydrophobicContact CD1-CG 4.14Å; L9-F59 HydrophobicContact CD2-CB 4.42Å; L9-F59 HydrophobicContact CD2-CD1 3.51Å; L9-F59 HydrophobicContact CD2-CD2 3.9Å; L9-F59 HydrophobicContact CD2-CE1 3.61Å; L9-F59 HydrophobicContact CD2-CE2 4.02Å; L9-F59 HydrophobicContact CD2-CG 3.67Å; L9-F59 HydrophobicContact CD2-CZ 3.88Å; M34-F59 WeakPolarHBondContact O-CD2 3.48Å; M34-F59 PolarHBondContact O-N 3.18Å; M34-F59 HydrophobicContact SD-CB 4.06Å; W36-F59 HydrophobicContact CB-CE2 4.09Å; W36-F59 AromaticContact CD1-CD2 3.74Å; W36-F59 AromaticContact CD1-CE2 3.38Å; W36-F59 HydrophobicContact CD2-CE2 4.17Å; W36-F59 HydrophobicContact CG-CD2 4.42Å; W36-F59 AromaticContact CG-CE2 3.65Å; W36-F59 HydrophobicContact CG-CE2 3.65Å; W36-F59 HydrophobicContact CG-CZ 4.5Å; W36-F59 AromaticContact NE1-CE2 3.79Å; M57-F59 HydrophobicContact CB-CE2 3.77Å; M57-F59 HydrophobicContact CB-CZ 3.97Å; M57-F59 HydrophobicContact CE-CZ 3.98Å; M57-F59 HydrophobicContact SD-CZ 4.43Å; F59-Y63 HydrophobicContact CD1-CD1 4.15Å; F59-Y63 AromaticContact CD1-CD2 3.73Å; F59-Y63 HydrophobicContact CD1-CD2 3.73Å; F59-Y63 HydrophobicContact CD1-CE1 4.3Å; F59-Y63 AromaticContact CD1-CE2 3.95Å; F59-Y63 HydrophobicContact CD1-CE2 3.95Å; F59-Y63 AromaticContact CD1-CG 3.86Å; F59-Y63 HydrophobicContact CD1-CG 3.86Å; F59-Y63 HydrophobicContact CE1-CD2 4.19Å; F59-Y63 HydrophobicContact CE1-CE1 4.35Å; F59-Y63 AromaticContact CE1-CE2 3.92Å; F59-Y63 HydrophobicContact CE1-CE2 3.92Å; F59-Y63 AromaticContact CE1-CZ 4Å; F59-P68 HydrophobicContact CD1-CB 3.64Å; F59-P68 HydrophobicContact CD1-CG 4.31Å; F59-P68 HydrophobicContact CE1-CB 3.56Å; F59-P68 HydrophobicContact CE1-CG 3.85Å; F59-P68 HydrophobicContact CG-CB 4.28Å; F59-P68 HydrophobicContact CZ-CB 4.09Å; F59-P68 HydrophobicContact CZ-CG 4.45Å; F59-V102 HydrophobicContact CE1-CG2 4.08Å; F59-V102 HydrophobicContact CZ-CG2 3.71Å
60N95.9Very high97.5Very high71 Ų7146.9 Ų46.938%0.3824%0.237SC..  trans-128.3175.9170.566.342000110.4Q62 Y63N60-Q62 PolarHBondContact O-N 2.82Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.32Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.48Å; N60-Q62 PolarHBondContact OD1-N 2.67Å; N60-Y63 WeakPolarHBondContact O-CB 3.23Å; N60-Y63 PolarHBondContact O-N 3.35Å
61D95.8Very high97.6Very high57 Ų5745.7 Ų45.731%0.30522%0.223SC..THydrogen-bonded Turntrans-62.8-9.3-177.6-79.1-36000115.3M1 S2M1-D61 WeakPolarHBondContact CA-OD1 3.38Å; M1-D61 WeakPolarHBondContact CA-OD2 3.49Å; M1-D61 WeakPolarHBondContact CB-OD1 3.39Å; M1-D61 VanDerWaalsContact CG-OD1 3.23Å; M1-D61 WeakPolarHBondContact CG-OD1 3.2Å; S2-D61 PolarHBondContact N-OD1 3.48Å; S2-D61 VanDerWaalsContact N-OD1 3.14Å; S2-D61 PolarHBondContact OG-O 2.89Å
62Q96.4Very high97.6Very high96 Ų9646 Ų4645%0.44922%0.224SC..THydrogen-bonded Turntrans-92.4-2.5176.5-56.1-69.1-75.700112.7N60 I65 K66N60-Q62 PolarHBondContact O-N 2.82Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.32Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.48Å; N60-Q62 PolarHBondContact OD1-N 2.67Å; Q62-I65 VanDerWaalsContact O-CA 3.29Å; Q62-I65 WeakPolarHBondContact O-CA 3.39Å; Q62-I65 WeakPolarHBondContact O-CB 3.28Å; Q62-I65 PolarHBondContact O-N 3Å; Q62-K66 HydrophobicContact CB-CB 4.03Å; Q62-K66 HydrophobicContact CB-CD 4.01Å; Q62-K66 HydrophobicContact CB-CG 3.85Å; Q62-K66 HydrophobicContact CG-CD 4.23Å; Q62-K66 PolarHBondContact O-N 3.3Å
63Y97.6Very high97.6Very high6 Ų646.9 Ų46.92%0.02423%0.232CC..THydrogen-bonded Turntrans-63.7134.6173.8-174.1-107.4000110.8A5 R8 L9 D12 F59 N60 W96A5-Y63 WeakPolarHBondContact CA-O 3.27Å; A5-Y63 WeakPolarHBondContact CB-O 3.43Å; R8-Y63 HydrophobicContact CB-CD1 4.4Å; R8-Y63 HydrophobicContact CB-CE1 4.36Å; R8-Y63 HydrophobicContact CG-CD1 4.01Å; R8-Y63 HydrophobicContact CG-CE1 3.58Å; L9-Y63 HydrophobicContact CD1-CD1 4.48Å; L9-Y63 HydrophobicContact CD2-CD1 3.7Å; L9-Y63 HydrophobicContact CD2-CE1 3.54Å; L9-Y63 HydrophobicContact CG-CD1 3.76Å; L9-Y63 HydrophobicContact CG-CE1 3.96Å; D12-Y63 WeakPolarHBondContact OD2-CE1 3.44Å; D12-Y63 PolarHBondContact OD2-OH 2.87Å; F59-Y63 HydrophobicContact CD1-CD1 4.15Å; F59-Y63 AromaticContact CD1-CD2 3.73Å; F59-Y63 HydrophobicContact CD1-CD2 3.73Å; F59-Y63 HydrophobicContact CD1-CE1 4.3Å; F59-Y63 AromaticContact CD1-CE2 3.95Å; F59-Y63 HydrophobicContact CD1-CE2 3.95Å; F59-Y63 AromaticContact CD1-CG 3.86Å; F59-Y63 HydrophobicContact CD1-CG 3.86Å; F59-Y63 HydrophobicContact CE1-CD2 4.19Å; F59-Y63 HydrophobicContact CE1-CE1 4.35Å; F59-Y63 AromaticContact CE1-CE2 3.92Å; F59-Y63 HydrophobicContact CE1-CE2 3.92Å; F59-Y63 AromaticContact CE1-CZ 4Å; N60-Y63 WeakPolarHBondContact O-CB 3.23Å; N60-Y63 PolarHBondContact O-N 3.35Å; Y63-W96 HydrophobicContact CD2-CZ2 4.31Å; Y63-W96 AromaticContact CE2-CH2 3.86Å; Y63-W96 HydrophobicContact CE2-CH2 3.86Å; Y63-W96 AromaticContact CE2-CZ2 3.9Å; Y63-W96 HydrophobicContact CE2-CZ2 3.9Å
64P97Very high97.5Very high25 Ų2547.1 Ų47.116%0.16223%0.234CC..THydrogen-bonded Turncis-94.49.95.238.7-37000114.9R8 K66 W96 P98R8-P64 HydrophobicContact CG-CB 4.35Å; R8-P64 HydrophobicContact CG-CG 4.15Å; P64-K66 VanDerWaalsContact C-N 3.27Å; P64-K66 PolarHBondContact O-N 2.98Å; P64-W96 WeakPolarHBondContact O-CZ2 3.3Å; P64-W96 PolarHBondContact O-NE1 2.91Å; P64-P98 HydrophobicContact CB-CB 4.24Å; P64-P98 HydrophobicContact CG-CB 4.18Å; P64-P98 VanDerWaalsContact O-CA 3.3Å; P64-P98 WeakPolarHBondContact O-CA 3.42Å; P64-P98 WeakPolarHBondContact O-CB 3.38Å
65I97.1Very high97.4Very high119 Ų11952.7 Ų52.761%0.6125%0.253SS*.THydrogen-bonded Turntrans-62.8-37.8176.9-55.2172.5000110.7Q62 W96Q62-I65 VanDerWaalsContact O-CA 3.29Å; Q62-I65 WeakPolarHBondContact O-CA 3.39Å; Q62-I65 WeakPolarHBondContact O-CB 3.28Å; Q62-I65 PolarHBondContact O-N 3Å; I65-W96 PolarHBondContact O-NE1 3.34Å
66K97Very high97.4Very high113 Ų11353.8 Ų53.849%0.49126%0.258SS..SBendtrans-109.7146.8171.7-65.2-168.2177.5-1730111.4Q62 P64Q62-K66 HydrophobicContact CB-CB 4.03Å; Q62-K66 HydrophobicContact CB-CD 4.01Å; Q62-K66 HydrophobicContact CB-CG 3.85Å; Q62-K66 HydrophobicContact CG-CD 4.23Å; Q62-K66 PolarHBondContact O-N 3.3Å; P64-K66 VanDerWaalsContact C-N 3.27Å; P64-K66 PolarHBondContact O-N 2.98Å
67P97.7Very high97.4Very high37 Ų3752.2 Ų52.224%0.2425%0.251CS..PPolyproline II helixtrans-65157.3175.826.5-33000111.7L92 W96P67-L92 HydrophobicContact CB-CD2 4.27Å; P67-L92 WeakPolarHBondContact CG-O 3.31Å; P67-W96 HydrophobicContact CB-CB 4.43Å; P67-W96 HydrophobicContact CB-CD2 3.52Å; P67-W96 HydrophobicContact CB-CE3 3.57Å; P67-W96 HydrophobicContact CB-CG 3.91Å; P67-W96 HydrophobicContact CB-CH2 4.47Å; P67-W96 HydrophobicContact CB-CZ2 4.44Å; P67-W96 HydrophobicContact CB-CZ3 4.05Å; P67-W96 HydrophobicContact CG-CB 4.33Å; P67-W96 HydrophobicContact CG-CD2 4.23Å; P67-W96 HydrophobicContact CG-CG 4.08Å
68P98.1Very high97.4Very high7 Ų752.2 Ų52.25%0.04525%0.251CS..PPolyproline II helixtrans-67.4156.8163.129.1-32.1000111.5M57 I58 F59 V70 L92M57-P68 HydrophobicContact CE-CG 3.96Å; I58-P68 WeakPolarHBondContact O-CA 3.48Å; F59-P68 HydrophobicContact CD1-CB 3.64Å; F59-P68 HydrophobicContact CD1-CG 4.31Å; F59-P68 HydrophobicContact CE1-CB 3.56Å; F59-P68 HydrophobicContact CE1-CG 3.85Å; F59-P68 HydrophobicContact CG-CB 4.28Å; F59-P68 HydrophobicContact CZ-CB 4.09Å; F59-P68 HydrophobicContact CZ-CG 4.45Å; P68-V70 HydrophobicContact CB-CG2 4.37Å; P68-V70 HydrophobicContact CG-CG2 4.06Å; P68-L92 HydrophobicContact CG-CD2 4.38Å
69Q97.9Very high97.4Very high141 Ų14149.9 Ų49.966%0.65924%0.239SC*.EExtended strand (participates in β ladder)trans-79.4131.9159.4-64.7178.6-6.800108.4M57 I58M57-Q69 CarbonylContact C-O 3.33Å; M57-Q69 VanDerWaalsContact CA-O 3.31Å; M57-Q69 WeakPolarHBondContact CA-O 3.47Å; I58-Q69 HydrophobicContact CB-CB 4.32Å; I58-Q69 PolarHBondContact N-O 3.33Å; I58-Q69 PolarHBondContact O-N 3.42Å
70V98.3Very high97.3Very high11 Ų1149.6 Ų49.67%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-127.2133.6180-172.90000109L55 E56 M57 P68 L87 L92 V105L55-V70 HydrophobicContact CD2-CG1 3.99Å; E56-V70 WeakPolarHBondContact O-CA 3.35Å; M57-V70 HydrophobicContact CE-CG2 4.02Å; M57-V70 HydrophobicContact CG-CG1 4.29Å; M57-V70 HydrophobicContact CG-CG2 4.22Å; P68-V70 HydrophobicContact CB-CG2 4.37Å; P68-V70 HydrophobicContact CG-CG2 4.06Å; V70-L87 HydrophobicContact CB-CD2 4.18Å; V70-L87 HydrophobicContact CG1-CD2 3.87Å; V70-L92 HydrophobicContact CB-CD1 3.87Å; V70-L92 HydrophobicContact CG2-CD1 3.85Å; V70-L92 HydrophobicContact CG2-CD2 4.04Å; V70-V105 HydrophobicContact CG2-CG1 4.01Å
71R98.1Very high97.4Very high93 Ų9346.4 Ų46.435%0.35122%0.221SC..EExtended strand (participates in β ladder)trans-145147173.668.6-174.7-173.194.21.3111L55 E56 G85 T86L55-R71 CarbonylContact C-O 3.47Å; L55-R71 VanDerWaalsContact CA-O 3.23Å; L55-R71 WeakPolarHBondContact CA-O 3.32Å; L55-R71 WeakPolarHBondContact CB-O 3.27Å; E56-R71 HydrophobicContact CB-CG 4.24Å; E56-R71 PolarHBondContact N-O 3.25Å; E56-R71 PolarHBondContact O-N 2.89Å; E56-R71 IonicContact OE2-CZ 2.86Å; E56-R71 IonicContact OE2-NE 2.85Å; E56-R71 PolarHBondContact OE2-NE 3.03Å; E56-R71 IonicContact OE2-NH2 2.7Å; E56-R71 PolarHBondContact OE2-NH2 3.36Å; R71-G85 CarbonylContact C-O 3.43Å; R71-G85 VanDerWaalsContact CA-O 3.23Å; R71-G85 WeakPolarHBondContact CA-O 3.49Å; R71-T86 HydrophobicContact CB-CG2 4.26Å
72F98.2Very high97.5Very high5 Ų548.8 Ų48.82%0.02223%0.226CC..EExtended strand (participates in β ladder)trans-68.5135.3164.3-72.2-85.2000110F53 M54 L55 M76 V81 G85 L87 V109 L113F53-F72 HydrophobicContact CB-CD1 3.99Å; F53-F72 HydrophobicContact CB-CE1 3.75Å; F53-F72 HydrophobicContact CG-CE1 4.49Å; M54-F72 WeakPolarHBondContact O-CA 3.36Å; L55-F72 HydrophobicContact CD1-CD1 4.13Å; L55-F72 HydrophobicContact CD1-CE1 3.93Å; L55-F72 HydrophobicContact CD2-CD1 3.88Å; L55-F72 HydrophobicContact CD2-CD2 4.34Å; L55-F72 HydrophobicContact CD2-CE1 3.69Å; L55-F72 HydrophobicContact CD2-CE2 4.17Å; L55-F72 HydrophobicContact CD2-CG 4.21Å; L55-F72 HydrophobicContact CD2-CZ 3.86Å; L55-F72 HydrophobicContact CG-CD1 3.62Å; L55-F72 HydrophobicContact CG-CE1 3.76Å; L55-F72 HydrophobicContact CG-CG 4.19Å; L55-F72 HydrophobicContact CG-CZ 4.43Å; F72-M76 HydrophobicContact CB-CG 3.58Å; F72-M76 HydrophobicContact CD1-CE 4.24Å; F72-M76 HydrophobicContact CD1-CG 3.75Å; F72-M76 HydrophobicContact CD1-SD 3.77Å; F72-M76 HydrophobicContact CD2-CG 3.81Å; F72-M76 HydrophobicContact CE1-CE 3.92Å; F72-M76 HydrophobicContact CE1-CG 4.37Å; F72-M76 HydrophobicContact CE1-SD 4.03Å; F72-M76 HydrophobicContact CE2-CE 4.35Å; F72-M76 HydrophobicContact CE2-CG 4.41Å; F72-M76 HydrophobicContact CG-CG 3.43Å; F72-M76 VanDerWaalsContact CG-CG 3.43Å; F72-M76 HydrophobicContact CG-SD 4.11Å; F72-M76 HydrophobicContact CZ-CE 3.97Å; F72-V81 HydrophobicContact CD2-CG1 3.93Å; F72-V81 HydrophobicContact CD2-CG2 4Å; F72-V81 HydrophobicContact CE2-CG2 3.78Å; F72-G85 PolarHBondContact N-O 2.67Å; F72-L87 HydrophobicContact CD2-CD2 4.33Å; F72-L87 HydrophobicContact CE2-CD2 4.17Å; F72-V109 HydrophobicContact CE2-CG1 4.02Å; F72-V109 HydrophobicContact CZ-CG1 3.6Å; F72-L113 HydrophobicContact CZ-CD2 4.47Å
73T97.2Very high97.5Very high65 Ų6549.6 Ų49.640%0.39925%0.25SC..SBendtrans-96.7-23.716657.60000111.2M54 E56M54-T73 WeakPolarHBondContact CB-OG1 3.19Å; M54-T73 PolarHBondContact O-N 2.9Å; M54-T73 PolarHBondContact O-OG1 3.18Å; E56-T73 HydrophobicContact CB-CG2 3.9Å
74S96.6Very high97.4Very high4 Ų454.1 Ų54.13%0.02827%0.274CS..SBendtrans-67.8148.1163.5-66.80000110M54M54-S74 PolarHBondContact N-OG 3.41Å; M54-S74 PolarHBondContact O-N 2.94Å
75R96.2Very high97.4Very high150 Ų15053.2 Ų53.257%0.56627%0.27SS*.  trans-62.2139.2167.8179.9161175.1-130.810.9108.6T144 E147R75-T144 WeakPolarHBondContact O-CG2 3.3Å; R75-E147 VanDerWaalsContact CD-OE2 3.28Å; R75-E147 WeakPolarHBondContact CD-OE2 3.45Å; R75-E147 IonicContact CZ-OE2 3.94Å; R75-E147 IonicContact NE-OE2 3.76Å; R75-E147 IonicContact NH1-OE1 3.72Å; R75-E147 PolarHBondContact NH1-OE1 3.07Å; R75-E147 IonicContact NH1-OE2 3.75Å; R75-E147 PolarHBondContact NH1-OE2 3.42Å
76M97.9Very high97.4Very high24 Ų2449.9 Ų49.912%0.11826%0.255CS..  trans-128.4143.9-179.1-68.2-56.5-72.800111.5Y48 F53 F72 V81 L113 T144Y48-M76 HydrophobicContact CE1-CE 4.31Å; F53-M76 HydrophobicContact CB-SD 4.35Å; F53-M76 HydrophobicContact CD1-CE 4.04Å; F53-M76 HydrophobicContact CD1-SD 3.35Å; F53-M76 WeakPolarHBondContact CD1-SD 3.14Å; F53-M76 HydrophobicContact CE1-CE 4.26Å; F53-M76 HydrophobicContact CE1-SD 3.83Å; F53-M76 HydrophobicContact CG-CE 4.26Å; F53-M76 HydrophobicContact CG-SD 3.96Å; F72-M76 HydrophobicContact CB-CG 3.58Å; F72-M76 HydrophobicContact CD1-CE 4.24Å; F72-M76 HydrophobicContact CD1-CG 3.75Å; F72-M76 HydrophobicContact CD1-SD 3.77Å; F72-M76 HydrophobicContact CD2-CG 3.81Å; F72-M76 HydrophobicContact CE1-CE 3.92Å; F72-M76 HydrophobicContact CE1-CG 4.37Å; F72-M76 HydrophobicContact CE1-SD 4.03Å; F72-M76 HydrophobicContact CE2-CE 4.35Å; F72-M76 HydrophobicContact CE2-CG 4.41Å; F72-M76 HydrophobicContact CG-CG 3.43Å; F72-M76 VanDerWaalsContact CG-CG 3.43Å; F72-M76 HydrophobicContact CG-SD 4.11Å; F72-M76 HydrophobicContact CZ-CE 3.97Å; M76-V81 HydrophobicContact CB-CB 4.26Å; M76-V81 HydrophobicContact CB-CG1 3.76Å; M76-V81 HydrophobicContact CG-CG1 4.18Å; M76-L113 HydrophobicContact CE-CD2 3.71Å; M76-T144 HydrophobicContact SD-CG2 4.32Å
77F98.2Very high97.3Very high14 Ų1445.1 Ų45.16%0.06124%0.235CC..  trans-123.297.3164.5-170.3-102.3000108.1Y48 E125 A126 L129 Y137 R140 V141 T144Y48-F77 PolarHBondContact OH-O 3.5Å; F77-E125 HydrophobicContact CZ-CG 4.48Å; F77-A126 HydrophobicContact CD1-CB 4.24Å; F77-A126 HydrophobicContact CD2-CB 4.36Å; F77-A126 HydrophobicContact CE1-CB 3.81Å; F77-A126 HydrophobicContact CE2-CB 3.93Å; F77-A126 HydrophobicContact CG-CB 4.5Å; F77-A126 VanDerWaalsContact CZ-CA 3.44Å; F77-A126 HydrophobicContact CZ-CB 3.63Å; F77-L129 HydrophobicContact CE1-CD1 4.41Å; F77-L129 HydrophobicContact CZ-CD1 3.96Å; F77-Y137 HydrophobicContact CD1-CD2 4.49Å; F77-Y137 HydrophobicContact CD1-CE2 4.43Å; F77-Y137 AromaticContact CE1-CD2 3.89Å; F77-Y137 HydrophobicContact CE1-CD2 3.89Å; F77-Y137 HydrophobicContact CE1-CE2 4.17Å; F77-R140 HydrophobicContact CD1-CB 3.57Å; F77-R140 HydrophobicContact CE1-CB 3.56Å; F77-R140 HydrophobicContact CE1-CG 4.28Å; F77-R140 HydrophobicContact CG-CB 4.12Å; F77-R140 HydrophobicContact CZ-CB 4.12Å; F77-R140 HydrophobicContact CZ-CG 4.45Å; F77-V141 HydrophobicContact CD1-CG2 4.06Å; F77-T144 WeakPolarHBondContact CB-OG1 3.4Å
78H98.1Very high97.1Very high0 Ų044.8 Ų44.80%023%0.233CC..  trans-152.9139.3-174.7-176-85.2000110.4Y48 N80 V81 L112 N123Y48-H78 AromaticContact CE2-CD2 3.89Å; Y48-H78 AromaticContact CZ-CD2 3.61Å; Y48-H78 WeakPolarHBondContact OH-CA 3.35Å; Y48-H78 PolarHBondContact OH-CD2 2.85Å; H78-N80 PolarHBondContact CE1-OD1 3.39Å; H78-N80 VanDerWaalsContact CE1-OD1 3.24Å; H78-N80 PolarHBondContact ND1-N 2.88Å; H78-N80 PolarHBondContact O-N 3.3Å; H78-N80 VanDerWaalsContact O-N 3.16Å; H78-V81 HydrophobicContact CB-CB 4.05Å; H78-V81 HydrophobicContact CB-CG2 3.79Å; H78-V81 PolarHBondContact O-N 3.07Å; H78-V81 VanDerWaalsContact O-N 3.16Å; H78-L112 PolarHBondContact CE1-O 3.46Å; H78-L112 PolarHBondContact NE2-O 3.32Å; H78-N123 WeakPolarHBondContact O-CB 3.34Å
79P97.6Very high96.8Very high0 Ų045.1 Ų45.10%023%0.234CC..THydrogen-bonded Turntrans-52.5-37-178.9-30.237.5000114.6P116 P121 A122 N123 A126 A127 F130 Y137P79-P116 HydrophobicContact CB-CB 4.37Å; P79-P116 HydrophobicContact CG-CB 3.83Å; P79-P121 CarbonylContact O-C 3.54Å; P79-P121 VanDerWaalsContact O-CA 3.32Å; P79-P121 WeakPolarHBondContact O-CA 3.42Å; P79-P121 WeakPolarHBondContact O-CB 3.41Å; P79-A122 PolarHBondContact O-N 2.96Å; P79-N123 PolarHBondContact O-N 2.85Å; P79-A126 HydrophobicContact CG-CB 4.27Å; P79-A127 HydrophobicContact CB-CB 4.1Å; P79-F130 HydrophobicContact CG-CB 4.31Å; P79-F130 HydrophobicContact CG-CG 4.5Å; P79-Y137 WeakPolarHBondContact CD-OH 3.33Å; P79-Y137 HydrophobicContact CG-CE2 4.24Å
80N97.4Very high96.6Very high4 Ų443.2 Ų43.22%0.02123%0.228CC..THydrogen-bonded Turntrans-99.310.8-176.9-52.2100.8000115.2H78 L87 C88 L112 N117H78-N80 PolarHBondContact CE1-OD1 3.39Å; H78-N80 VanDerWaalsContact CE1-OD1 3.24Å; H78-N80 PolarHBondContact ND1-N 2.88Å; H78-N80 PolarHBondContact O-N 3.3Å; H78-N80 VanDerWaalsContact O-N 3.16Å; N80-L87 WeakPolarHBondContact O-CA 3.23Å; N80-C88 PolarHBondContact O-N 2.76Å; N80-L112 HydrophobicContact CB-CD1 4.11Å; N80-L112 HydrophobicContact CB-CD2 3.91Å; N80-L112 HydrophobicContact CB-CG 4.28Å; N80-N117 PolarHBondContact ND2-O 3.24Å; N80-N117 PolarHBondContact OD1-N 2.88Å; N80-N117 PolarHBondContact OD1-O 3.39Å
81V97.8Very high96.4Very high3 Ų343.2 Ų43.22%0.01823%0.228CC..BIsolated β-bridgetrans-115.6126.9177.2-177.30000110.2F72 M76 H78 L87 N123F72-V81 HydrophobicContact CD2-CG1 3.93Å; F72-V81 HydrophobicContact CD2-CG2 4Å; F72-V81 HydrophobicContact CE2-CG2 3.78Å; M76-V81 HydrophobicContact CB-CB 4.26Å; M76-V81 HydrophobicContact CB-CG1 3.76Å; M76-V81 HydrophobicContact CG-CG1 4.18Å; H78-V81 HydrophobicContact CB-CB 4.05Å; H78-V81 HydrophobicContact CB-CG2 3.79Å; H78-V81 PolarHBondContact O-N 3.07Å; H78-V81 VanDerWaalsContact O-N 3.16Å; V81-L87 HydrophobicContact CG2-CB 4.24Å; V81-N123 WeakPolarHBondContact O-CB 3.42Å
82Y97.2Very high96.3Very high107 Ų10739.9 Ų39.942%0.4222%0.217SC..  trans-73.1163.7175.6-69.1-79.4000111.6D84 G85 T86 C88 A122Y82-D84 VanDerWaalsContact CB-OD1 3.31Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.33Å; Y82-D84 PolarHBondContact O-N 3.15Å; Y82-G85 PolarHBondContact O-N 2.72Å; Y82-T86 WeakPolarHBondContact CD2-O 3.4Å; Y82-T86 VanDerWaalsContact CD2-OG1 3.24Å; Y82-T86 WeakPolarHBondContact CD2-OG1 3.38Å; Y82-T86 PolarHBondContact N-O 2.99Å; Y82-C88 WeakPolarHBondContact CE2-SG 3.48Å; Y82-C88 PolarHBondContact OH-SG 3.08Å; Y82-A122 HydrophobicContact CD1-CB 3.71Å; Y82-A122 HydrophobicContact CD2-CB 3.73Å; Y82-A122 HydrophobicContact CE1-CB 3.67Å; Y82-A122 HydrophobicContact CE2-CB 3.71Å; Y82-A122 HydrophobicContact CG-CB 3.73Å
83A95.5Very high96Very high114 Ų11445.4 Ų45.494%0.94224%0.243SC*.THydrogen-bonded Turntrans-61.2-24.9179.600000114G85A83-G85 VanDerWaalsContact C-N 3.29Å
84D96.2Very high95.8Very high101 Ų10146.3 Ų46.354%0.5427%0.265SS..THydrogen-bonded Turntrans-85.81176.371.3-10.7000113.7Y82 T86Y82-D84 VanDerWaalsContact CB-OD1 3.31Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.33Å; Y82-D84 PolarHBondContact O-N 3.15Å; D84-T86 VanDerWaalsContact C-N 3.34Å; D84-T86 WeakPolarHBondContact OD1-CB 3.43Å; D84-T86 PolarHBondContact OD1-N 3.15Å; D84-T86 PolarHBondContact OD1-OG1 2.96Å
85G97.4Very high95.7Very high6 Ų648.2 Ų48.26%0.06228%0.281CS..SBendtrans87.1-6.9-179.500000114.6R71 F72 Y82 A83R71-G85 CarbonylContact C-O 3.43Å; R71-G85 VanDerWaalsContact CA-O 3.23Å; R71-G85 WeakPolarHBondContact CA-O 3.49Å; F72-G85 PolarHBondContact N-O 2.67Å; Y82-G85 PolarHBondContact O-N 2.72Å; A83-G85 VanDerWaalsContact C-N 3.29Å
86T96.6Very high95.8Very high48 Ų4842.8 Ų42.829%0.29426%0.261SS..BIsolated β-bridgetrans-65.2155.1171.562.20000110.2R71 Y82 D84R71-T86 HydrophobicContact CB-CG2 4.26Å; Y82-T86 WeakPolarHBondContact CD2-O 3.4Å; Y82-T86 VanDerWaalsContact CD2-OG1 3.24Å; Y82-T86 WeakPolarHBondContact CD2-OG1 3.38Å; Y82-T86 PolarHBondContact N-O 2.99Å; D84-T86 VanDerWaalsContact C-N 3.34Å; D84-T86 WeakPolarHBondContact OD1-CB 3.43Å; D84-T86 PolarHBondContact OD1-N 3.15Å; D84-T86 PolarHBondContact OD1-OG1 2.96Å
87L94.9Very high95.8Very high14 Ų1443.6 Ų43.67%0.07327%0.269CS..BIsolated β-bridgetrans-131.9146.2-171.964.5111.1000112.8V70 F72 N80 V81 L89 L92 V109 L112V70-L87 HydrophobicContact CB-CD2 4.18Å; V70-L87 HydrophobicContact CG1-CD2 3.87Å; F72-L87 HydrophobicContact CD2-CD2 4.33Å; F72-L87 HydrophobicContact CE2-CD2 4.17Å; N80-L87 WeakPolarHBondContact O-CA 3.23Å; V81-L87 HydrophobicContact CG2-CB 4.24Å; L87-L89 HydrophobicContact CD1-CB 3.37Å; L87-L89 HydrophobicContact CD1-CD2 4.11Å; L87-L89 HydrophobicContact CD1-CG 4.38Å; L87-L89 PolarHBondContact O-N 2.85Å; L87-L92 HydrophobicContact CD1-CD1 3.83Å; L87-L92 HydrophobicContact CG-CD1 4.31Å; L87-V109 HydrophobicContact CD1-CG2 4.09Å; L87-V109 HydrophobicContact CD2-CG2 4.36Å; L87-L112 HydrophobicContact CD1-CD2 4.39Å
88C93.1Very high95.8Very high29 Ų2945.9 Ų45.920%0.19629%0.285CS..  trans-89.2100.5170.5-70.40000109.1N80 Y82N80-C88 PolarHBondContact O-N 2.76Å; Y82-C88 WeakPolarHBondContact CE2-SG 3.48Å; Y82-C88 PolarHBondContact OH-SG 3.08Å
89L93.4Very high95.7Very high15 Ų1550 Ų508%0.07931%0.314CS..  trans-134.3126.5171.8-179.866.1000107.9L87 I91 L92 V109 L112L87-L89 HydrophobicContact CD1-CB 3.37Å; L87-L89 HydrophobicContact CD1-CD2 4.11Å; L87-L89 HydrophobicContact CD1-CG 4.38Å; L87-L89 PolarHBondContact O-N 2.85Å; L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.44Å; L89-I91 HydrophobicContact CD2-CD1 4.03Å; L89-I91 HydrophobicContact CD2-CG1 3.61Å; L89-I91 HydrophobicContact CG-CG1 3.67Å; L89-I91 PolarHBondContact O-N 2.81Å; L89-L92 HydrophobicContact CB-CD1 4.29Å; L89-L92 HydrophobicContact CB-CG 4.43Å; L89-L92 HydrophobicContact CD2-CD1 4.26Å; L89-L92 HydrophobicContact CD2-CG 4.25Å; L89-L92 PolarHBondContact O-N 3.07Å; L89-V109 HydrophobicContact CD2-CG2 3.85Å; L89-L112 HydrophobicContact CD1-CD2 4.5Å
90D92.4Very high95.7Very high100 Ų10053.4 Ų53.454%0.53533%0.327SS..G310 helixtrans-59.8-38.9-172.861.2-18.8000113.1L92 Q93 G94 A95D90-L92 PolarHBondContact O-N 3.09Å; D90-Q93 CarbonylContact O-C 3.59Å; D90-Q93 WeakPolarHBondContact O-CA 3.37Å; D90-Q93 PolarHBondContact O-N 3.42Å; D90-G94 PolarHBondContact O-N 3.44Å; D90-A95 HydrophobicContact CB-CB 4.21Å; D90-A95 WeakPolarHBondContact O-CB 3.21Å; D90-A95 PolarHBondContact O-N 2.98Å
91I94.8Very high95.7Very high11 Ų1154.1 Ų54.16%0.05633%0.331CS..G310 helixtrans-64.6-23.5177.166.5154.8000112.1L89 W96 Y100 V105 S108L89-I91 VanDerWaalsContact C-N 3.32Å; L89-I91 HydrophobicContact CD1-CG1 4.44Å; L89-I91 HydrophobicContact CD2-CD1 4.03Å; L89-I91 HydrophobicContact CD2-CG1 3.61Å; L89-I91 HydrophobicContact CG-CG1 3.67Å; L89-I91 PolarHBondContact O-N 2.81Å; I91-W96 WeakPolarHBondContact O-CA 3.38Å; I91-W96 WeakPolarHBondContact O-CB 3.41Å; I91-W96 VanDerWaalsContact O-CE3 3.25Å; I91-W96 PolarHBondContact O-N 3.44Å; I91-Y100 HydrophobicContact CB-CD2 4.36Å; I91-Y100 HydrophobicContact CB-CE2 3.98Å; I91-Y100 HydrophobicContact CG2-CE2 3.93Å; I91-V105 HydrophobicContact CD1-CG2 4.33Å; I91-S108 WeakPolarHBondContact CD1-OG 3.47Å
92L95Very high95.7Very high24 Ų2454 Ų5413%0.12633%0.33CS..G310 helixtrans-85.71.3173.3-63.4177.8000112.7P67 P68 V70 L87 L89 D90 V105P67-L92 HydrophobicContact CB-CD2 4.27Å; P67-L92 WeakPolarHBondContact CG-O 3.31Å; P68-L92 HydrophobicContact CG-CD2 4.38Å; V70-L92 HydrophobicContact CB-CD1 3.87Å; V70-L92 HydrophobicContact CG2-CD1 3.85Å; V70-L92 HydrophobicContact CG2-CD2 4.04Å; L87-L92 HydrophobicContact CD1-CD1 3.83Å; L87-L92 HydrophobicContact CG-CD1 4.31Å; L89-L92 HydrophobicContact CB-CD1 4.29Å; L89-L92 HydrophobicContact CB-CG 4.43Å; L89-L92 HydrophobicContact CD2-CD1 4.26Å; L89-L92 HydrophobicContact CD2-CG 4.25Å; L89-L92 PolarHBondContact O-N 3.07Å; D90-L92 PolarHBondContact O-N 3.09Å; L92-V105 HydrophobicContact CD2-CG1 3.97Å; L92-V105 HydrophobicContact CD2-CG2 4.28Å
93Q91.8Very high95.7Very high121 Ų12151 Ų5157%0.56532%0.32SS*.THydrogen-bonded Turntrans-129.7-115.9-175-59179.321.300110.2D90 A95D90-Q93 CarbonylContact O-C 3.59Å; D90-Q93 WeakPolarHBondContact O-CA 3.37Å; D90-Q93 PolarHBondContact O-N 3.42Å; Q93-A95 VanDerWaalsContact C-N 3.32Å; Q93-A95 PolarHBondContact O-N 3.37Å
94G93.4Very high95.7Very high84 Ų8446.9 Ų46.987%0.86629%0.286SS*.THydrogen-bonded Turntrans-72.9-19.4-173.800000114.7D90D90-G94 PolarHBondContact O-N 3.44Å
95A96Very high95.8Very high44 Ų4442 Ų4236%0.36426%0.26SS..THydrogen-bonded Turntrans-98.99.5-179.700000113.3D90 Q93 S97 Y100D90-A95 HydrophobicContact CB-CB 4.21Å; D90-A95 WeakPolarHBondContact O-CB 3.21Å; D90-A95 PolarHBondContact O-N 2.98Å; Q93-A95 VanDerWaalsContact C-N 3.32Å; Q93-A95 PolarHBondContact O-N 3.37Å; A95-S97 PolarHBondContact O-N 3.48Å; A95-Y100 WeakPolarHBondContact O-CE2 3.39Å
96W98Very high95.8Very high36 Ų3641.8 Ų41.814%0.13626%0.257CS..  trans-60.7133.8178.9177.7-103.9000112.1Y63 P64 I65 P67 I91 Y100 V105Y63-W96 HydrophobicContact CD2-CZ2 4.31Å; Y63-W96 AromaticContact CE2-CH2 3.86Å; Y63-W96 HydrophobicContact CE2-CH2 3.86Å; Y63-W96 AromaticContact CE2-CZ2 3.9Å; Y63-W96 HydrophobicContact CE2-CZ2 3.9Å; P64-W96 WeakPolarHBondContact O-CZ2 3.3Å; P64-W96 PolarHBondContact O-NE1 2.91Å; I65-W96 PolarHBondContact O-NE1 3.34Å; P67-W96 HydrophobicContact CB-CB 4.43Å; P67-W96 HydrophobicContact CB-CD2 3.52Å; P67-W96 HydrophobicContact CB-CE3 3.57Å; P67-W96 HydrophobicContact CB-CG 3.91Å; P67-W96 HydrophobicContact CB-CH2 4.47Å; P67-W96 HydrophobicContact CB-CZ2 4.44Å; P67-W96 HydrophobicContact CB-CZ3 4.05Å; P67-W96 HydrophobicContact CG-CB 4.33Å; P67-W96 HydrophobicContact CG-CD2 4.23Å; P67-W96 HydrophobicContact CG-CG 4.08Å; I91-W96 WeakPolarHBondContact O-CA 3.38Å; I91-W96 WeakPolarHBondContact O-CB 3.41Å; I91-W96 VanDerWaalsContact O-CE3 3.25Å; I91-W96 PolarHBondContact O-N 3.44Å; W96-Y100 AromaticContact CE3-CD2 3.94Å; W96-Y100 HydrophobicContact CE3-CD2 3.94Å; W96-Y100 HydrophobicContact CZ3-CD2 4.24Å; W96-Y100 HydrophobicContact CZ3-CG 4.42Å; W96-V105 HydrophobicContact CH2-CG2 4.49Å; W96-V105 HydrophobicContact CZ3-CG2 3.86Å
97S97.6Very high95.8Very high41 Ų4142 Ų4229%0.28726%0.258SS..  trans-125.9138.51701740000110A95 S99 Y100A95-S97 PolarHBondContact O-N 3.48Å; S97-S99 WeakPolarHBondContact CB-OG 3.3Å; S97-S99 PolarHBondContact O-N 2.6Å; S97-S99 PolarHBondContact OG-N 3Å; S97-S99 PolarHBondContact OG-OG 3.44Å; S97-Y100 WeakPolarHBondContact O-CD2 3.47Å; S97-Y100 PolarHBondContact O-N 3.39Å
98P97.1Very high95.9Very high61 Ų6142.9 Ų42.940%0.39627%0.266SS..THydrogen-bonded Turntrans-60.3-8.5172.5-2334000115.1R8 P64R8-P98 PolarHBondContact NH1-O 3.22Å; P64-P98 HydrophobicContact CB-CB 4.24Å; P64-P98 HydrophobicContact CG-CB 4.18Å; P64-P98 VanDerWaalsContact O-CA 3.3Å; P64-P98 WeakPolarHBondContact O-CA 3.42Å; P64-P98 WeakPolarHBondContact O-CB 3.38Å
99S97.1Very high96.1Very high87 Ų8741.6 Ų41.661%0.60826%0.257SS*.THydrogen-bonded Turntrans-73.5-24.6170.662.20000113.3S97S97-S99 WeakPolarHBondContact CB-OG 3.3Å; S97-S99 PolarHBondContact O-N 2.6Å; S97-S99 PolarHBondContact OG-N 3Å; S97-S99 PolarHBondContact OG-OG 3.44Å
100Y97.9Very high96.3Very high72 Ų7242.4 Ų42.428%0.28226%0.26SS..  trans-68.8142.1174.8-63-53.4000110.4R8 I91 A95 W96 S97 A104R8-Y100 PolarHBondContact NH2-O 3.28Å; I91-Y100 HydrophobicContact CB-CD2 4.36Å; I91-Y100 HydrophobicContact CB-CE2 3.98Å; I91-Y100 HydrophobicContact CG2-CE2 3.93Å; A95-Y100 WeakPolarHBondContact O-CE2 3.39Å; W96-Y100 AromaticContact CE3-CD2 3.94Å; W96-Y100 HydrophobicContact CE3-CD2 3.94Å; W96-Y100 HydrophobicContact CZ3-CD2 4.24Å; W96-Y100 HydrophobicContact CZ3-CG 4.42Å; S97-Y100 WeakPolarHBondContact O-CD2 3.47Å; S97-Y100 PolarHBondContact O-N 3.39Å; Y100-A104 HydrophobicContact CD1-CB 3.91Å
101D96.9Very high96.4Very high18 Ų1840.9 Ų40.910%0.09626%0.257CS..  trans-120-179.717457.516000110.2K15 E103 A104 V105K15-D101 WeakPolarHBondContact CD-OD2 3.39Å; K15-D101 WeakPolarHBondContact CE-OD2 3.19Å; K15-D101 IonicContact NZ-OD1 2.84Å; K15-D101 IonicContact NZ-OD2 3.83Å; K15-D101 PolarHBondContact NZ-OD2 2.77Å; D101-E103 PolarHBondContact O-N 2.89Å; D101-E103 PolarHBondContact OD1-N 3.45Å; D101-A104 PolarHBondContact O-N 3.19Å; D101-A104 WeakPolarHBondContact OD1-CB 3.49Å; D101-A104 PolarHBondContact OD1-N 3.34Å; D101-V105 WeakPolarHBondContact O-CG2 3.48Å; D101-V105 PolarHBondContact O-N 2.91Å; D101-V105 VanDerWaalsContact O-N 3.07Å
102V97.7Very high96.5Very high1 Ų141.2 Ų41.21%0.00626%0.259CS..Hα-helixtrans-56.1-39.9178.9179.10000111.9D12 I16 A26 W36 M57 F59 V105 L106D12-V102 HydrophobicContact CB-CB 4.32Å; D12-V102 HydrophobicContact CB-CG2 3.88Å; I16-V102 HydrophobicContact CD1-CB 3.59Å; I16-V102 HydrophobicContact CD1-CG1 3.35Å; A26-V102 HydrophobicContact CB-CG1 4.05Å; W36-V102 HydrophobicContact CE3-CG1 4.14Å; W36-V102 HydrophobicContact CH2-CG2 4.22Å; W36-V102 HydrophobicContact CZ3-CB 4.44Å; W36-V102 HydrophobicContact CZ3-CG1 3.99Å; W36-V102 HydrophobicContact CZ3-CG2 4.2Å; M57-V102 HydrophobicContact CE-CG1 4.09Å; M57-V102 HydrophobicContact SD-CG1 3.8Å; F59-V102 HydrophobicContact CE1-CG2 4.08Å; F59-V102 HydrophobicContact CZ-CG2 3.71Å; V102-V105 PolarHBondContact O-N 2.86Å; V102-L106 HydrophobicContact CG1-CD1 3.86Å; V102-L106 HydrophobicContact CG1-CG 4.46Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.14Å; V102-L106 PolarHBondContact O-N 2.69Å
103E96.3Very high96.5Very high44 Ų4440.3 Ų40.321%0.20625%0.254CS..Hα-helixtrans-61.4-53.6177.2163.8-178.612500111.3K15 I16 P21 D101 V105 L106 T107K15-E103 WeakPolarHBondContact CE-OE1 3.22Å; K15-E103 WeakPolarHBondContact CE-OE2 3.14Å; K15-E103 IonicContact NZ-OE1 2.76Å; K15-E103 PolarHBondContact NZ-OE1 3.39Å; K15-E103 IonicContact NZ-OE2 3.86Å; K15-E103 PolarHBondContact NZ-OE2 3.33Å; I16-E103 HydrophobicContact CD1-CB 4.45Å; I16-E103 HydrophobicContact CG1-CB 4.11Å; P21-E103 HydrophobicContact CG-CB 4.32Å; P21-E103 HydrophobicContact CG-CG 3.57Å; D101-E103 PolarHBondContact O-N 2.89Å; D101-E103 PolarHBondContact OD1-N 3.45Å; E103-V105 PolarHBondContact O-N 3.26Å; E103-L106 PolarHBondContact O-N 3.04Å; E103-L106 VanDerWaalsContact O-N 3.12Å; E103-T107 PolarHBondContact O-N 2.9Å; E103-T107 PolarHBondContact O-OG1 3.5Å; E103-T107 VanDerWaalsContact O-OG1 3.09Å
104A96.5Very high96.7Very high27 Ų2739.2 Ų39.222%0.22325%0.252CS..Hα-helixtrans-59.3-37.8-179.300000112.1Y100 D101 S108Y100-A104 HydrophobicContact CD1-CB 3.91Å; D101-A104 PolarHBondContact O-N 3.19Å; D101-A104 WeakPolarHBondContact OD1-CB 3.49Å; D101-A104 PolarHBondContact OD1-N 3.34Å; A104-S108 WeakPolarHBondContact O-CB 3.33Å; A104-S108 PolarHBondContact O-N 3.4Å; A104-S108 PolarHBondContact O-OG 3.06Å
105V97.8Very high96.7Very high0 Ų041.1 Ų41.10%024%0.243CC..Hα-helixtrans-63.5-49.5175.5171.80000111M57 V70 I91 L92 W96 D101 V102 E103 S108 V109M57-V105 HydrophobicContact CE-CB 4.13Å; M57-V105 HydrophobicContact CE-CG1 3.72Å; V70-V105 HydrophobicContact CG2-CG1 4.01Å; I91-V105 HydrophobicContact CD1-CG2 4.33Å; L92-V105 HydrophobicContact CD2-CG1 3.97Å; L92-V105 HydrophobicContact CD2-CG2 4.28Å; W96-V105 HydrophobicContact CH2-CG2 4.49Å; W96-V105 HydrophobicContact CZ3-CG2 3.86Å; D101-V105 WeakPolarHBondContact O-CG2 3.48Å; D101-V105 PolarHBondContact O-N 2.91Å; D101-V105 VanDerWaalsContact O-N 3.07Å; V102-V105 PolarHBondContact O-N 2.86Å; E103-V105 PolarHBondContact O-N 3.26Å; V105-S108 PolarHBondContact O-N 2.73Å; V105-V109 WeakPolarHBondContact O-CG2 3.39Å; V105-V109 PolarHBondContact O-N 2.83Å
106L97.8Very high96.5Very high1 Ų139.4 Ų39.41%0.00523%0.228CC..Hα-helixtrans-68.1-40.5-177.1-67.9170.9000112.5V24 A26 A38 I40 M57 V102 E103 S108 V109 Q110V24-L106 HydrophobicContact CB-CB 4.16Å; V24-L106 HydrophobicContact CG1-CB 4.4Å; V24-L106 HydrophobicContact CG2-CB 4.27Å; A26-L106 HydrophobicContact CB-CD1 3.59Å; A38-L106 HydrophobicContact CB-CD1 3.93Å; A38-L106 HydrophobicContact CB-CD2 3.6Å; A38-L106 HydrophobicContact CB-CG 4.44Å; I40-L106 HydrophobicContact CD1-CD2 4.12Å; I40-L106 HydrophobicContact CG1-CD2 4.4Å; M57-L106 HydrophobicContact SD-CD1 4.37Å; M57-L106 HydrophobicContact SD-CD2 3.94Å; M57-L106 HydrophobicContact SD-CG 4.19Å; V102-L106 HydrophobicContact CG1-CD1 3.86Å; V102-L106 HydrophobicContact CG1-CG 4.46Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.14Å; V102-L106 PolarHBondContact O-N 2.69Å; E103-L106 PolarHBondContact O-N 3.04Å; E103-L106 VanDerWaalsContact O-N 3.12Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.09Å; L106-V109 PolarHBondContact O-N 2.86Å; L106-Q110 PolarHBondContact O-N 3.22Å
107T96.5Very high96.1Very high51 Ų5141.5 Ų41.531%0.31324%0.242SC..Hα-helixtrans-61.2-41.1173.5-55.70000110.9E103 V109 Q110 S111E103-T107 PolarHBondContact O-N 2.9Å; E103-T107 PolarHBondContact O-OG1 3.5Å; E103-T107 VanDerWaalsContact O-OG1 3.09Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 2.86Å; T107-Q110 WeakPolarHBondContact O-CB 3.43Å; T107-Q110 PolarHBondContact O-N 3.19Å; T107-S111 PolarHBondContact O-N 3.31Å; T107-S111 PolarHBondContact O-OG 3.06Å
108S96.9Very high95.5Very high34 Ų3441 Ų4124%0.23824%0.237CC..Hα-helixtrans-65.3-36.7176.7-57.40000112.4I91 A104 V105 L106 S111 L112I91-S108 WeakPolarHBondContact CD1-OG 3.47Å; A104-S108 WeakPolarHBondContact O-CB 3.33Å; A104-S108 PolarHBondContact O-N 3.4Å; A104-S108 PolarHBondContact O-OG 3.06Å; V105-S108 PolarHBondContact O-N 2.73Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.09Å; S108-S111 PolarHBondContact O-N 3.29Å; S108-L112 PolarHBondContact O-N 2.87Å; S108-L112 VanDerWaalsContact O-N 3.07Å
109V97.4Very high94.8Very high1 Ų142.7 Ų42.71%0.00625%0.251CS..Hα-helixtrans-67.8-38173.41760000111.2I40 L55 F72 L87 L89 V105 L106 T107 L112 L113I40-V109 HydrophobicContact CD1-CB 3.76Å; I40-V109 HydrophobicContact CD1-CG1 3.57Å; L55-V109 HydrophobicContact CD2-CG1 3.97Å; F72-V109 HydrophobicContact CE2-CG1 4.02Å; F72-V109 HydrophobicContact CZ-CG1 3.6Å; L87-V109 HydrophobicContact CD1-CG2 4.09Å; L87-V109 HydrophobicContact CD2-CG2 4.36Å; L89-V109 HydrophobicContact CD2-CG2 3.85Å; V105-V109 WeakPolarHBondContact O-CG2 3.39Å; V105-V109 PolarHBondContact O-N 2.83Å; L106-V109 PolarHBondContact O-N 2.86Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 2.86Å; V109-L112 WeakPolarHBondContact O-CB 3.22Å; V109-L112 PolarHBondContact O-N 3.43Å; V109-L113 PolarHBondContact O-N 2.84Å
110Q97.2Very high94.2Very high33 Ų3342.9 Ų42.915%0.15425%0.252CS..Hα-helixtrans-64.4-44.3174.7-175.9-175.355.400111.3D22 V24 I40 F41 P43 L106 T107 L112 L113D22-Q110 PolarHBondContact O-NE2 3.44Å; D22-Q110 PolarHBondContact O-OE1 3.25Å; V24-Q110 HydrophobicContact CG1-CB 4.14Å; V24-Q110 HydrophobicContact CG1-CG 4.5Å; I40-Q110 HydrophobicContact CG2-CB 3.84Å; I40-Q110 HydrophobicContact CG2-CG 3.91Å; F41-Q110 PolarHBondContact O-NE2 2.86Å; P43-Q110 HydrophobicContact CG-CG 3.85Å; L106-Q110 PolarHBondContact O-N 3.22Å; T107-Q110 WeakPolarHBondContact O-CB 3.43Å; T107-Q110 PolarHBondContact O-N 3.19Å; Q110-L112 PolarHBondContact O-N 3.36Å; Q110-L113 WeakPolarHBondContact O-CB 3.19Å; Q110-L113 PolarHBondContact O-N 2.84Å; Q110-L113 VanDerWaalsContact O-N 3.07Å
111S95.7Very high93.8Very high67 Ų6741.9 Ų41.947%0.46926%0.255SS..Hα-helixtrans-60.5-33174.4-60.70000112.6T107 S108 L113 D114 D115T107-S111 PolarHBondContact O-N 3.31Å; T107-S111 PolarHBondContact O-OG 3.06Å; S108-S111 PolarHBondContact O-N 3.29Å; S111-L113 PolarHBondContact O-N 3.38Å; S111-D114 WeakPolarHBondContact O-CB 3.29Å; S111-D114 PolarHBondContact O-N 2.98Å; S111-D114 VanDerWaalsContact O-N 3.13Å; S111-D115 PolarHBondContact O-N 2.86Å
112L95.3Very high93.7Very high19 Ų1942 Ų4210%0.09926%0.258CS..Hα-helixtrans-63.3-30.3175.8-172.962.3000112.6H78 N80 L87 L89 S108 V109 Q110 D114 D115H78-L112 PolarHBondContact CE1-O 3.46Å; H78-L112 PolarHBondContact NE2-O 3.32Å; N80-L112 HydrophobicContact CB-CD1 4.11Å; N80-L112 HydrophobicContact CB-CD2 3.91Å; N80-L112 HydrophobicContact CB-CG 4.28Å; L87-L112 HydrophobicContact CD1-CD2 4.39Å; L89-L112 HydrophobicContact CD1-CD2 4.5Å; S108-L112 PolarHBondContact O-N 2.87Å; S108-L112 VanDerWaalsContact O-N 3.07Å; V109-L112 WeakPolarHBondContact O-CB 3.22Å; V109-L112 PolarHBondContact O-N 3.43Å; Q110-L112 PolarHBondContact O-N 3.36Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-D115 CarbonylContact O-C 3.55Å
113L96.5Very high93.7Very high4 Ų443.6 Ų43.62%0.02127%0.266CS..Hα-helixtrans-71-30.9174.9-60.2179.5000112.5I40 P43 Y48 F53 F72 M76 V109 Q110 S111I40-L113 HydrophobicContact CG2-CD1 4.15Å; P43-L113 HydrophobicContact CG-CB 4.28Å; Y48-L113 HydrophobicContact CD1-CD2 4.36Å; Y48-L113 HydrophobicContact CD2-CB 3.99Å; Y48-L113 VanDerWaalsContact CD2-O 3.25Å; Y48-L113 WeakPolarHBondContact CD2-O 3.41Å; Y48-L113 HydrophobicContact CE1-CD2 4.31Å; Y48-L113 HydrophobicContact CE2-CB 4.43Å; Y48-L113 WeakPolarHBondContact CE2-O 3.02Å; Y48-L113 HydrophobicContact CG-CB 4.3Å; F53-L113 HydrophobicContact CD2-CD1 4.02Å; F53-L113 HydrophobicContact CE2-CD1 4.25Å; F72-L113 HydrophobicContact CZ-CD2 4.47Å; M76-L113 HydrophobicContact CE-CD2 3.71Å; V109-L113 PolarHBondContact O-N 2.84Å; Q110-L113 WeakPolarHBondContact O-CB 3.19Å; Q110-L113 PolarHBondContact O-N 2.84Å; Q110-L113 VanDerWaalsContact O-N 3.07Å; S111-L113 PolarHBondContact O-N 3.38Å
114D94.4Very high93.6Very high98 Ų9844.9 Ų44.952%0.52428%0.284SS..Hα-helixtrans-76.7-45178-17343000111.6P43 T46 S111 L112 P116P43-D114 HydrophobicContact CB-CB 4.43Å; P43-D114 HydrophobicContact CG-CB 4.26Å; T46-D114 HydrophobicContact CG2-CB 4.22Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.43Å; S111-D114 WeakPolarHBondContact O-CB 3.29Å; S111-D114 PolarHBondContact O-N 2.98Å; S111-D114 VanDerWaalsContact O-N 3.13Å; L112-D114 VanDerWaalsContact C-N 3.34Å; D114-P116 WeakPolarHBondContact O-CD 3.47Å
115D93.9Very high93.7Very high125 Ų12546.9 Ų46.967%0.66829%0.289SS*.SBendtrans-121.981.2179.9-170.328.5000112.3S111 L112S111-D115 PolarHBondContact O-N 2.86Å; L112-D115 CarbonylContact O-C 3.55Å
116P92Very high93.7Very high8 Ų846.9 Ų46.95%0.05229%0.289CS..  trans-63140.4176.8-22.633.8000111.9P79 D114 P118 F130P79-P116 HydrophobicContact CB-CB 4.37Å; P79-P116 HydrophobicContact CG-CB 3.83Å; D114-P116 WeakPolarHBondContact O-CD 3.47Å; P116-P118 WeakPolarHBondContact O-CD 3.44Å; P116-F130 HydrophobicContact CB-CD2 4.4Å; P116-F130 HydrophobicContact CB-CE2 4.04Å; P116-F130 HydrophobicContact CB-CZ 4.32Å; P116-F130 HydrophobicContact CG-CD2 4.25Å; P116-F130 HydrophobicContact CG-CE2 3.68Å; P116-F130 HydrophobicContact CG-CZ 4.25Å
117N90.3Very high93.7Very high79 Ų7947 Ų4742%0.42229%0.291SS..  trans-99.4100.7174.5-179.7-2.6000111.3N80 S119N80-N117 PolarHBondContact ND2-O 3.24Å; N80-N117 PolarHBondContact OD1-N 2.88Å; N80-N117 PolarHBondContact OD1-O 3.39Å; N117-S119 VanDerWaalsContact C-N 3.28Å; N117-S119 PolarHBondContact O-N 3.03Å; N117-S119 WeakPolarHBondContact OD1-CB 3.41Å; N117-S119 PolarHBondContact OD1-N 3.24Å; N117-S119 PolarHBondContact OD1-OG 3.43Å
118P83.8Confident93.7Very high30 Ų3049.6 Ų49.620%0.19530%0.295CS..THydrogen-bonded Turntrans-81.9-0.2-178.336.6-39.6000113.9P116 S120 A127 F130 Q131P116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-S120 VanDerWaalsContact C-N 3.33Å; P118-S120 PolarHBondContact O-N 2.94Å; P118-A127 HydrophobicContact CB-CB 4.34Å; P118-F130 HydrophobicContact CB-CD1 4.35Å; P118-F130 HydrophobicContact CG-CD1 4.34Å; P118-F130 HydrophobicContact CG-CE1 4.35Å; P118-Q131 HydrophobicContact CB-CG 4.15Å; P118-Q131 HydrophobicContact CG-CG 4.4Å
119S84Confident93.7Very high97 Ų9748.2 Ų48.268%0.67829%0.285SS*.THydrogen-bonded Turntrans-73.6-21.7-173.3-47.80000113.8N117N117-S119 VanDerWaalsContact C-N 3.28Å; N117-S119 PolarHBondContact O-N 3.03Å; N117-S119 WeakPolarHBondContact OD1-CB 3.41Å; N117-S119 PolarHBondContact OD1-N 3.24Å; N117-S119 PolarHBondContact OD1-OG 3.43Å
120S83.9Confident93.7Very high91 Ų9150.6 Ų50.664%0.63630%0.295SS*.SBendtrans-150.375.5176.3-69.20000109.2P118P118-S120 VanDerWaalsContact C-N 3.33Å; P118-S120 PolarHBondContact O-N 2.94Å
121P89.8Confident93.6Very high52 Ų5254.9 Ų54.934%0.33832%0.315SS..  trans-81.8135.9-166.732.9-34.9000112.5P79 N123 A127P79-P121 CarbonylContact O-C 3.54Å; P79-P121 VanDerWaalsContact O-CA 3.32Å; P79-P121 WeakPolarHBondContact O-CA 3.42Å; P79-P121 WeakPolarHBondContact O-CB 3.41Å; P121-N123 VanDerWaalsContact C-N 3.27Å; P121-A127 HydrophobicContact CB-CB 3.34Å; P121-A127 HydrophobicContact CG-CB 3.62Å
122A94.3Very high93.7Very high19 Ų1958.1 Ų58.116%0.15732%0.323CS..SBendtrans-70.5-28166.300000111.8P79 Y82P79-A122 PolarHBondContact O-N 2.96Å; Y82-A122 HydrophobicContact CD1-CB 3.71Å; Y82-A122 HydrophobicContact CD2-CB 3.73Å; Y82-A122 HydrophobicContact CE1-CB 3.67Å; Y82-A122 HydrophobicContact CE2-CB 3.71Å; Y82-A122 HydrophobicContact CG-CB 3.73Å
123N96.7Very high93.8Very high35 Ų3560.7 Ų60.719%0.18734%0.337CS..SBendtrans-123.196.1176.3-177.1-18.7000109.6H78 P79 V81 P121 E125 A126 A127H78-N123 WeakPolarHBondContact O-CB 3.34Å; P79-N123 PolarHBondContact O-N 2.85Å; V81-N123 WeakPolarHBondContact O-CB 3.42Å; P121-N123 VanDerWaalsContact C-N 3.27Å; N123-E125 VanDerWaalsContact C-N 3.26Å; N123-E125 PolarHBondContact O-N 3.07Å; N123-E125 PolarHBondContact OD1-N 2.92Å; N123-A126 HydrophobicContact CB-CB 3.94Å; N123-A126 VanDerWaalsContact CG-CB 3.47Å; N123-A126 PolarHBondContact O-N 3.05Å; N123-A126 PolarHBondContact OD1-N 2.84Å; N123-A127 PolarHBondContact O-N 3.12Å
124A96.1Very high93.8Very high71 Ų7165.3 Ų65.359%0.58735%0.354SS*.Hα-helixtrans-58.6-36.1-177.900000112.8A127 R128A124-A127 PolarHBondContact O-N 3.47Å; A124-R128 VanDerWaalsContact O-CB 3.28Å; A124-R128 WeakPolarHBondContact O-CB 3.46Å; A124-R128 PolarHBondContact O-N 3.26Å
125E97.1Very high94Very high70 Ų7066.1 Ų66.133%0.32736%0.362SS..Hα-helixtrans-71.1-42.5179.2177.861.2179.700111.8F77 N123 A127 R128 L129F77-E125 HydrophobicContact CZ-CG 4.48Å; N123-E125 VanDerWaalsContact C-N 3.26Å; N123-E125 PolarHBondContact O-N 3.07Å; N123-E125 PolarHBondContact OD1-N 2.92Å; E125-A127 VanDerWaalsContact C-N 3.31Å; E125-A127 PolarHBondContact O-N 2.82Å; E125-R128 PolarHBondContact O-N 2.87Å; E125-R128 IonicContact OE1-CZ 3.38Å; E125-R128 IonicContact OE1-NH2 2.88Å; E125-R128 PolarHBondContact OE1-NH2 3.26Å; E125-R128 IonicContact OE2-CZ 3.2Å; E125-R128 IonicContact OE2-NE 3.98Å; E125-R128 PolarHBondContact OE2-NE 3.31Å; E125-R128 IonicContact OE2-NH2 2.95Å; E125-R128 PolarHBondContact OE2-NH2 3.24Å; E125-L129 HydrophobicContact CG-CD1 4.3Å; E125-L129 WeakPolarHBondContact O-CB 3.18Å; E125-L129 WeakPolarHBondContact O-CG 3.3Å; E125-L129 PolarHBondContact O-N 2.7Å
126A97.7Very high94.2Very high0 Ų062.9 Ų62.90%034%0.343CS..Hα-helixtrans-61.8-41.7174.800000111.4F77 P79 N123 F130 Y137F77-A126 HydrophobicContact CD1-CB 4.24Å; F77-A126 HydrophobicContact CD2-CB 4.36Å; F77-A126 HydrophobicContact CE1-CB 3.81Å; F77-A126 HydrophobicContact CE2-CB 3.93Å; F77-A126 HydrophobicContact CG-CB 4.5Å; F77-A126 VanDerWaalsContact CZ-CA 3.44Å; F77-A126 HydrophobicContact CZ-CB 3.63Å; P79-A126 HydrophobicContact CG-CB 4.27Å; N123-A126 HydrophobicContact CB-CB 3.94Å; N123-A126 VanDerWaalsContact CG-CB 3.47Å; N123-A126 PolarHBondContact O-N 3.05Å; N123-A126 PolarHBondContact OD1-N 2.84Å; A126-F130 WeakPolarHBondContact O-CB 3.49Å; A126-F130 PolarHBondContact O-N 2.7Å; A126-Y137 HydrophobicContact CB-CE2 4.37Å; A126-Y137 WeakPolarHBondContact O-CD2 3.37Å
127A97.3Very high94.5Very high4 Ų462.5 Ų62.53%0.03334%0.34CS..Hα-helixtrans-65.5-44176.800000112.8P79 P118 P121 N123 A124 E125 F130 Q131P79-A127 HydrophobicContact CB-CB 4.1Å; P118-A127 HydrophobicContact CB-CB 4.34Å; P121-A127 HydrophobicContact CB-CB 3.34Å; P121-A127 HydrophobicContact CG-CB 3.62Å; N123-A127 PolarHBondContact O-N 3.12Å; A124-A127 PolarHBondContact O-N 3.47Å; E125-A127 VanDerWaalsContact C-N 3.31Å; E125-A127 PolarHBondContact O-N 2.82Å; A127-F130 WeakPolarHBondContact O-CB 3.49Å; A127-F130 PolarHBondContact O-N 3.37Å; A127-Q131 WeakPolarHBondContact O-CG 3.1Å; A127-Q131 PolarHBondContact O-N 3.31Å
128R97.3Very high94.9Very high105 Ų10561 Ų6140%0.39633%0.332SS..Hα-helixtrans-60.5-49.6176.4-172.6-173.471.386.9-0.6111.2A124 E125 F130 Q131 E132A124-R128 VanDerWaalsContact O-CB 3.28Å; A124-R128 WeakPolarHBondContact O-CB 3.46Å; A124-R128 PolarHBondContact O-N 3.26Å; E125-R128 PolarHBondContact O-N 2.87Å; E125-R128 IonicContact OE1-CZ 3.38Å; E125-R128 IonicContact OE1-NH2 2.88Å; E125-R128 PolarHBondContact OE1-NH2 3.26Å; E125-R128 IonicContact OE2-CZ 3.2Å; E125-R128 IonicContact OE2-NE 3.98Å; E125-R128 PolarHBondContact OE2-NE 3.31Å; E125-R128 IonicContact OE2-NH2 2.95Å; E125-R128 PolarHBondContact OE2-NH2 3.24Å; R128-F130 VanDerWaalsContact C-N 3.33Å; R128-F130 PolarHBondContact O-N 3.29Å; R128-Q131 PolarHBondContact O-N 2.98Å; R128-E132 VanDerWaalsContact CG-CD 3.48Å; R128-E132 HydrophobicContact CG-CG 4.3Å; R128-E132 WeakPolarHBondContact CG-OE2 3.4Å; R128-E132 IonicContact NH1-OE2 2.7Å; R128-E132 PolarHBondContact NH1-OE2 2.9Å; R128-E132 VanDerWaalsContact O-CB 3.3Å; R128-E132 WeakPolarHBondContact O-CB 3.45Å; R128-E132 WeakPolarHBondContact O-CG 3.28Å; R128-E132 PolarHBondContact O-N 2.99Å
129L97.7Very high95.5Very high5 Ų565.3 Ų65.33%0.02635%0.348CS..Hα-helixtrans-64.6-37.5176.8-67.8-178.5000112F77 E125 Q131 N133 R134 E136 Y137 R140F77-L129 HydrophobicContact CE1-CD1 4.41Å; F77-L129 HydrophobicContact CZ-CD1 3.96Å; E125-L129 HydrophobicContact CG-CD1 4.3Å; E125-L129 WeakPolarHBondContact O-CB 3.18Å; E125-L129 WeakPolarHBondContact O-CG 3.3Å; E125-L129 PolarHBondContact O-N 2.7Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 2.74Å; L129-N133 HydrophobicContact CD2-CB 4.13Å; L129-N133 CarbonylContact O-C 2.91Å; L129-N133 WeakPolarHBondContact O-CA 3.22Å; L129-N133 PolarHBondContact O-N 3.38Å; L129-R134 PolarHBondContact O-N 2.81Å; L129-E136 HydrophobicContact CD1-CG 3.96Å; L129-E136 HydrophobicContact CD2-CB 4.31Å; L129-E136 HydrophobicContact CD2-CG 4.14Å; L129-Y137 HydrophobicContact CB-CD2 4.31Å; L129-R140 HydrophobicContact CD1-CG 4.39Å
130F96.8Very high96.2Very high50 Ų5064.5 Ų64.522%0.21933%0.33CS..Hα-helixtrans-57.9-41.9175.5-178.7-89.2000111.8P79 P116 P118 A126 A127 R128 Y137P79-F130 HydrophobicContact CG-CB 4.31Å; P79-F130 HydrophobicContact CG-CG 4.5Å; P116-F130 HydrophobicContact CB-CD2 4.4Å; P116-F130 HydrophobicContact CB-CE2 4.04Å; P116-F130 HydrophobicContact CB-CZ 4.32Å; P116-F130 HydrophobicContact CG-CD2 4.25Å; P116-F130 HydrophobicContact CG-CE2 3.68Å; P116-F130 HydrophobicContact CG-CZ 4.25Å; P118-F130 HydrophobicContact CB-CD1 4.35Å; P118-F130 HydrophobicContact CG-CD1 4.34Å; P118-F130 HydrophobicContact CG-CE1 4.35Å; A126-F130 WeakPolarHBondContact O-CB 3.49Å; A126-F130 PolarHBondContact O-N 2.7Å; A127-F130 WeakPolarHBondContact O-CB 3.49Å; A127-F130 PolarHBondContact O-N 3.37Å; R128-F130 VanDerWaalsContact C-N 3.33Å; R128-F130 PolarHBondContact O-N 3.29Å; F130-Y137 HydrophobicContact CB-CD2 3.79Å; F130-Y137 HydrophobicContact CB-CE2 3.85Å; F130-Y137 HydrophobicContact CB-CG 4.34Å; F130-Y137 HydrophobicContact CD2-CD1 4.37Å; F130-Y137 HydrophobicContact CD2-CD2 4.41Å; F130-Y137 AromaticContact CD2-CE1 3.97Å; F130-Y137 HydrophobicContact CD2-CE1 3.97Å; F130-Y137 AromaticContact CD2-CE2 3.98Å; F130-Y137 HydrophobicContact CD2-CE2 3.98Å; F130-Y137 AromaticContact CD2-CZ 3.73Å; F130-Y137 HydrophobicContact CG-CE2 4.42Å
131Q95.6Very high96.9Very high124 Ų12460.2 Ų60.258%0.57930%0.3SS*.Hα-helixtrans-82.2-41.1-179-69.1177.7-20.500113.6P118 A127 R128 L129P118-Q131 HydrophobicContact CB-CG 4.15Å; P118-Q131 HydrophobicContact CG-CG 4.4Å; A127-Q131 WeakPolarHBondContact O-CG 3.1Å; A127-Q131 PolarHBondContact O-N 3.31Å; R128-Q131 PolarHBondContact O-N 2.98Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 2.74Å
132E96.9Very high97.3Very high135 Ų13562.1 Ų62.163%0.63130%0.304SS*.Hα-helixtrans-102.6-27.2-168.4-61.3177.317600113.8R128R128-E132 VanDerWaalsContact CG-CD 3.48Å; R128-E132 HydrophobicContact CG-CG 4.3Å; R128-E132 WeakPolarHBondContact CG-OE2 3.4Å; R128-E132 IonicContact NH1-OE2 2.7Å; R128-E132 PolarHBondContact NH1-OE2 2.9Å; R128-E132 VanDerWaalsContact O-CB 3.3Å; R128-E132 WeakPolarHBondContact O-CB 3.45Å; R128-E132 WeakPolarHBondContact O-CG 3.28Å; R128-E132 PolarHBondContact O-N 2.99Å
133N97.4Very high97.4Very high73 Ų7364.3 Ų64.339%0.3931%0.313SS..  trans-150.175-173.2-171.6-12.4000111.8L129 V135 E136 Y137L129-N133 HydrophobicContact CD2-CB 4.13Å; L129-N133 CarbonylContact O-C 2.91Å; L129-N133 WeakPolarHBondContact O-CA 3.22Å; L129-N133 PolarHBondContact O-N 3.38Å; N133-V135 PolarHBondContact O-N 3.03Å; N133-V135 VanDerWaalsContact O-N 3.16Å; N133-V135 PolarHBondContact OD1-N 2.95Å; N133-E136 HydrophobicContact CB-CB 4.4Å; N133-E136 WeakPolarHBondContact ND2-CB 3.2Å; N133-E136 PolarHBondContact O-N 2.83Å; N133-E136 PolarHBondContact OD1-N 2.9Å; N133-Y137 PolarHBondContact O-N 2.85Å
134R96.8Very high97.5Very high100 Ų10062.9 Ų62.938%0.37731%0.305SS..Hα-helixtrans-57.4-30.4-178.8-170.358.9169.7173.2-2113.3L129 N138L129-R134 PolarHBondContact O-N 2.81Å; R134-N138 PolarHBondContact NE-OD1 2.93Å; R134-N138 WeakPolarHBondContact O-CB 2.99Å; R134-N138 PolarHBondContact O-N 3.09Å; R134-N138 PolarHBondContact O-OD1 3.37Å
135V98.1Very high97.6Very high116 Ų11659.8 Ų59.870%0.70328%0.279SS*.Hα-helixtrans-65.8-51.2178177.30000110.9N133 N138 K139N133-V135 PolarHBondContact O-N 3.03Å; N133-V135 VanDerWaalsContact O-N 3.16Å; N133-V135 PolarHBondContact OD1-N 2.95Å; V135-N138 PolarHBondContact O-N 2.91Å; V135-K139 PolarHBondContact O-N 3.44Å
136E98.3Very high97.6Very high56 Ų5661.6 Ų61.626%0.26229%0.287SS..Hα-helixtrans-68-37.5177.3-177.158.4-153.500111.2L129 N133 N138 K139 R140L129-E136 HydrophobicContact CD1-CG 3.96Å; L129-E136 HydrophobicContact CD2-CB 4.31Å; L129-E136 HydrophobicContact CD2-CG 4.14Å; N133-E136 HydrophobicContact CB-CB 4.4Å; N133-E136 WeakPolarHBondContact ND2-CB 3.2Å; N133-E136 PolarHBondContact O-N 2.83Å; N133-E136 PolarHBondContact OD1-N 2.9Å; E136-N138 PolarHBondContact O-N 3.41Å; E136-K139 PolarHBondContact O-N 2.52Å; E136-K139 IonicContact OE2-NZ 3Å; E136-R140 HydrophobicContact CG-CG 4.41Å; E136-R140 VanDerWaalsContact O-CG 3.22Å; E136-R140 WeakPolarHBondContact O-CG 3.43Å; E136-R140 PolarHBondContact O-N 2.91Å; E136-R140 WeakPolarHBondContact OE1-CD 3.24Å; E136-R140 WeakPolarHBondContact OE1-CG 3.35Å
137Y98.2Very high97.5Very high1 Ų164 Ų640%0.00430%0.298CS..Hα-helixtrans-54.1-54.2172.1178.1-90000111.6P47 Y48 F77 P79 A126 L129 F130 N133 K139 R140 V141P47-Y137 HydrophobicContact CG-CE1 4.38Å; Y48-Y137 PolarHBondContact OH-OH 3.3Å; F77-Y137 HydrophobicContact CD1-CD2 4.49Å; F77-Y137 HydrophobicContact CD1-CE2 4.43Å; F77-Y137 AromaticContact CE1-CD2 3.89Å; F77-Y137 HydrophobicContact CE1-CD2 3.89Å; F77-Y137 HydrophobicContact CE1-CE2 4.17Å; P79-Y137 WeakPolarHBondContact CD-OH 3.33Å; P79-Y137 HydrophobicContact CG-CE2 4.24Å; A126-Y137 HydrophobicContact CB-CE2 4.37Å; A126-Y137 WeakPolarHBondContact O-CD2 3.37Å; L129-Y137 HydrophobicContact CB-CD2 4.31Å; F130-Y137 HydrophobicContact CB-CD2 3.79Å; F130-Y137 HydrophobicContact CB-CE2 3.85Å; F130-Y137 HydrophobicContact CB-CG 4.34Å; F130-Y137 HydrophobicContact CD2-CD1 4.37Å; F130-Y137 HydrophobicContact CD2-CD2 4.41Å; F130-Y137 AromaticContact CD2-CE1 3.97Å; F130-Y137 HydrophobicContact CD2-CE1 3.97Å; F130-Y137 AromaticContact CD2-CE2 3.98Å; F130-Y137 HydrophobicContact CD2-CE2 3.98Å; F130-Y137 AromaticContact CD2-CZ 3.73Å; F130-Y137 HydrophobicContact CG-CE2 4.42Å; N133-Y137 PolarHBondContact O-N 2.85Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 2.82Å; Y137-R140 PolarHBondContact O-N 2.84Å; Y137-R140 VanDerWaalsContact O-N 3.09Å; Y137-V141 HydrophobicContact CD1-CG2 3.98Å; Y137-V141 HydrophobicContact CE1-CG2 3.5Å; Y137-V141 HydrophobicContact CE2-CG2 4.3Å; Y137-V141 WeakPolarHBondContact O-CG2 3.4Å; Y137-V141 PolarHBondContact O-N 2.95Å
138N98Very high97.5Very high46 Ų4663.9 Ų63.925%0.24630%0.298CS..Hα-helixtrans-60.3-41.7-178.6-71.63.8000111.1P47 R134 V135 E136 R140 V141 H142P47-N138 HydrophobicContact CB-CB 4.46Å; P47-N138 WeakPolarHBondContact CG-OD1 3.4Å; R134-N138 PolarHBondContact NE-OD1 2.93Å; R134-N138 WeakPolarHBondContact O-CB 2.99Å; R134-N138 PolarHBondContact O-N 3.09Å; R134-N138 PolarHBondContact O-OD1 3.37Å; V135-N138 PolarHBondContact O-N 2.91Å; E136-N138 PolarHBondContact O-N 3.41Å; N138-R140 VanDerWaalsContact C-N 3.32Å; N138-R140 PolarHBondContact O-N 3.47Å; N138-V141 PolarHBondContact O-N 3.35Å; N138-H142 PolarHBondContact O-CD2 3.19Å; N138-H142 PolarHBondContact O-N 3.25Å
139K98.3Very high97.3Very high121 Ų12164.3 Ų64.353%0.52630%0.299SS..Hα-helixtrans-58.1-43.2175.1-175.9-175.8174.9-169.80112.4V135 E136 Y137 H142 I143V135-K139 PolarHBondContact O-N 3.44Å; E136-K139 PolarHBondContact O-N 2.52Å; E136-K139 IonicContact OE2-NZ 3Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 2.82Å; K139-H142 PolarHBondContact O-N 2.83Å; K139-I143 WeakPolarHBondContact O-CG1 3.32Å; K139-I143 PolarHBondContact O-N 3.37Å
140R98.3Very high96.8Very high81 Ų8170.2 Ų70.231%0.30633%0.325SS..Hα-helixtrans-69-35.8178.2-64.5-67.8-66-82.1-5112.3F77 L129 E136 Y137 N138 T144F77-R140 HydrophobicContact CD1-CB 3.57Å; F77-R140 HydrophobicContact CE1-CB 3.56Å; F77-R140 HydrophobicContact CE1-CG 4.28Å; F77-R140 HydrophobicContact CG-CB 4.12Å; F77-R140 HydrophobicContact CZ-CB 4.12Å; F77-R140 HydrophobicContact CZ-CG 4.45Å; L129-R140 HydrophobicContact CD1-CG 4.39Å; E136-R140 HydrophobicContact CG-CG 4.41Å; E136-R140 VanDerWaalsContact O-CG 3.22Å; E136-R140 WeakPolarHBondContact O-CG 3.43Å; E136-R140 PolarHBondContact O-N 2.91Å; E136-R140 WeakPolarHBondContact OE1-CD 3.24Å; E136-R140 WeakPolarHBondContact OE1-CG 3.35Å; Y137-R140 PolarHBondContact O-N 2.84Å; Y137-R140 VanDerWaalsContact O-N 3.09Å; N138-R140 VanDerWaalsContact C-N 3.32Å; N138-R140 PolarHBondContact O-N 3.47Å; R140-T144 PolarHBondContact O-N 3.04Å; R140-T144 PolarHBondContact O-OG1 3.48Å
141V98.3Very high95.8Very high0 Ų070.6 Ų70.60%033%0.329CS..Hα-helixtrans-66.7-43.6172.4178.50000111.2P47 Y48 F77 Y137 N138 I143 T144 V145P47-V141 HydrophobicContact CB-CB 3.96Å; P47-V141 HydrophobicContact CB-CG1 3.82Å; P47-V141 HydrophobicContact CB-CG2 4.41Å; P47-V141 VanDerWaalsContact O-CG1 3.27Å; P47-V141 WeakPolarHBondContact O-CG1 3.45Å; Y48-V141 HydrophobicContact CD1-CG1 3.34Å; Y48-V141 HydrophobicContact CD2-CG1 4.23Å; Y48-V141 HydrophobicContact CE1-CB 4.33Å; Y48-V141 HydrophobicContact CE1-CG1 3.32Å; Y48-V141 HydrophobicContact CE1-CG2 4.04Å; Y48-V141 HydrophobicContact CE2-CG1 4.23Å; Y48-V141 HydrophobicContact CE2-CG2 4.5Å; Y48-V141 HydrophobicContact CG-CG1 3.79Å; F77-V141 HydrophobicContact CD1-CG2 4.06Å; Y137-V141 HydrophobicContact CD1-CG2 3.98Å; Y137-V141 HydrophobicContact CE1-CG2 3.5Å; Y137-V141 HydrophobicContact CE2-CG2 4.3Å; Y137-V141 WeakPolarHBondContact O-CG2 3.4Å; Y137-V141 PolarHBondContact O-N 2.95Å; N138-V141 PolarHBondContact O-N 3.35Å; V141-I143 VanDerWaalsContact C-N 3.29Å; V141-I143 PolarHBondContact O-N 2.77Å; V141-T144 CarbonylContact O-C 3.59Å; V141-T144 VanDerWaalsContact O-CA 3.3Å; V141-T144 WeakPolarHBondContact O-CA 3.41Å; V141-T144 WeakPolarHBondContact O-CB 3.39Å; V141-T144 PolarHBondContact O-N 3.5Å; V141-V145 HydrophobicContact CG1-CG2 4.42Å; V141-V145 PolarHBondContact O-N 3.29Å
142H97.7Very high94.6Very high92 Ų9266 Ų6643%0.42631%0.312SS..Hα-helixtrans-60.1-37.3177.8-70.9-45.9000113P47 N138 K139 T144 V145 E146P47-H142 PolarHBondContact O-ND1 2.83Å; N138-H142 PolarHBondContact O-CD2 3.19Å; N138-H142 PolarHBondContact O-N 3.25Å; K139-H142 PolarHBondContact O-N 2.83Å; H142-T144 PolarHBondContact O-N 3.47Å; H142-V145 WeakPolarHBondContact O-CB 3.21Å; H142-V145 PolarHBondContact O-N 2.92Å; H142-E146 WeakPolarHBondContact O-CG 3.29Å; H142-E146 PolarHBondContact O-N 3.14Å
143I97.7Very high93Very high66 Ų6663.8 Ų63.834%0.33831%0.308SS..Hα-helixtrans-59.2-39.5171.2-66.2165.6000110.8K139 V141 E146 E147K139-I143 WeakPolarHBondContact O-CG1 3.32Å; K139-I143 PolarHBondContact O-N 3.37Å; V141-I143 VanDerWaalsContact C-N 3.29Å; V141-I143 PolarHBondContact O-N 2.77Å; I143-E146 PolarHBondContact O-N 3.24Å; I143-E147 HydrophobicContact CG2-CG 4.49Å; I143-E147 WeakPolarHBondContact O-CB 3.34Å; I143-E147 VanDerWaalsContact O-CG 3.27Å; I143-E147 WeakPolarHBondContact O-CG 3.23Å; I143-E147 PolarHBondContact O-N 2.93Å
144T97.4Very high91.2Very high4 Ų466.5 Ų66.53%0.02532%0.32CS..Hα-helixtrans-67.2-39.4178-51.20000111.3F53 R75 M76 F77 R140 V141 H142 E147 S148F53-T144 HydrophobicContact CE1-CG2 4.17Å; R75-T144 WeakPolarHBondContact O-CG2 3.3Å; M76-T144 HydrophobicContact SD-CG2 4.32Å; F77-T144 WeakPolarHBondContact CB-OG1 3.4Å; R140-T144 PolarHBondContact O-N 3.04Å; R140-T144 PolarHBondContact O-OG1 3.48Å; V141-T144 CarbonylContact O-C 3.59Å; V141-T144 VanDerWaalsContact O-CA 3.3Å; V141-T144 WeakPolarHBondContact O-CA 3.41Å; V141-T144 WeakPolarHBondContact O-CB 3.39Å; V141-T144 PolarHBondContact O-N 3.5Å; H142-T144 PolarHBondContact O-N 3.47Å; T144-E147 PolarHBondContact O-N 3.45Å; T144-S148 PolarHBondContact O-N 2.94Å; T144-S148 VanDerWaalsContact O-N 3.07Å
145V98Very high89.1Confident6 Ų665.2 Ų65.24%0.03632%0.32CS..Hα-helixtrans-60.1-50.5173.1168.20000110.4F53 V141 H142 E147 S148 W149F53-V145 HydrophobicContact CZ-CG2 4.07Å; V141-V145 HydrophobicContact CG1-CG2 4.42Å; V141-V145 PolarHBondContact O-N 3.29Å; H142-V145 WeakPolarHBondContact O-CB 3.21Å; H142-V145 PolarHBondContact O-N 2.92Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.33Å; V145-S148 VanDerWaalsContact O-CB 3.27Å; V145-S148 WeakPolarHBondContact O-CB 3.38Å; V145-S148 PolarHBondContact O-N 3Å; V145-S148 VanDerWaalsContact O-N 3.09Å; V145-S148 PolarHBondContact O-OG 3.21Å; V145-W149 HydrophobicContact CG1-CH2 4.49Å; V145-W149 HydrophobicContact CG1-CZ2 3.69Å
146E97Very high86.9Confident108 Ų10867.4 Ų67.451%0.50532%0.323SS..Hα-helixtrans-61.7-38.9178.4-70-179.717800112.9H142 I143 S148 W149H142-E146 WeakPolarHBondContact O-CG 3.29Å; H142-E146 PolarHBondContact O-N 3.14Å; I143-E146 PolarHBondContact O-N 3.24Å; E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.03Å; E146-W149 HydrophobicContact CB-CE3 4.41Å; E146-W149 HydrophobicContact CB-CZ3 4.34Å; E146-W149 HydrophobicContact CG-CE3 4.47Å; E146-W149 HydrophobicContact CG-CH2 4.23Å; E146-W149 HydrophobicContact CG-CZ3 3.91Å; E146-W149 PolarHBondContact O-N 3.25Å
147E96.4Very high84.3Confident51 Ų5169.4 Ų69.424%0.23834%0.343CS..Hα-helixtrans-65-31.5176-76.6177.6170.700112.3R75 I143 T144 V145 W149 K150R75-E147 VanDerWaalsContact CD-OE2 3.28Å; R75-E147 WeakPolarHBondContact CD-OE2 3.45Å; R75-E147 IonicContact CZ-OE2 3.94Å; R75-E147 IonicContact NE-OE2 3.76Å; R75-E147 IonicContact NH1-OE1 3.72Å; R75-E147 PolarHBondContact NH1-OE1 3.07Å; R75-E147 IonicContact NH1-OE2 3.75Å; R75-E147 PolarHBondContact NH1-OE2 3.42Å; I143-E147 HydrophobicContact CG2-CG 4.49Å; I143-E147 WeakPolarHBondContact O-CB 3.34Å; I143-E147 VanDerWaalsContact O-CG 3.27Å; I143-E147 WeakPolarHBondContact O-CG 3.23Å; I143-E147 PolarHBondContact O-N 2.93Å; T144-E147 PolarHBondContact O-N 3.45Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.33Å; E147-W149 VanDerWaalsContact C-N 3.3Å; E147-W149 PolarHBondContact O-N 3.15Å; E147-K150 PolarHBondContact O-N 3.43Å
148S96.6Very high82Confident2 Ų273.8 Ų73.81%0.01437%0.374CS..Hα-helixtrans-63.2-35.1-179.1850000112.6I52 T144 V145 E146 K150 N151 A152I52-S148 PolarHBondContact N-OG 2.92Å; I52-S148 WeakPolarHBondContact O-CB 3.31Å; T144-S148 PolarHBondContact O-N 2.94Å; T144-S148 VanDerWaalsContact O-N 3.07Å; V145-S148 VanDerWaalsContact O-CB 3.27Å; V145-S148 WeakPolarHBondContact O-CB 3.38Å; V145-S148 PolarHBondContact O-N 3Å; V145-S148 VanDerWaalsContact O-N 3.09Å; V145-S148 PolarHBondContact O-OG 3.21Å; E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.03Å; S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 PolarHBondContact O-N 3.45Å; S148-N151 PolarHBondContact O-N 3.4Å; S148-A152 PolarHBondContact O-N 3.35Å
149W94.6Very high79.5Confident114 Ų11474.2 Ų74.243%0.43239%0.389SS..Hα-helixtrans-66.2-33.3179.8-54.5-27000113D50 V145 E146 E147 N151 A152 T153D50-W149 HydrophobicContact CB-CZ2 4.42Å; D50-W149 PolarHBondContact O-NE1 2.94Å; V145-W149 HydrophobicContact CG1-CH2 4.49Å; V145-W149 HydrophobicContact CG1-CZ2 3.69Å; E146-W149 HydrophobicContact CB-CE3 4.41Å; E146-W149 HydrophobicContact CB-CZ3 4.34Å; E146-W149 HydrophobicContact CG-CE3 4.47Å; E146-W149 HydrophobicContact CG-CH2 4.23Å; E146-W149 HydrophobicContact CG-CZ3 3.91Å; E146-W149 PolarHBondContact O-N 3.25Å; E147-W149 VanDerWaalsContact C-N 3.3Å; E147-W149 PolarHBondContact O-N 3.15Å; W149-N151 VanDerWaalsContact C-N 3.3Å; W149-N151 PolarHBondContact O-N 3.02Å; W149-A152 PolarHBondContact O-N 3.48Å; W149-T153 PolarHBondContact O-N 3.04Å; W149-T153 PolarHBondContact O-OG1 3.35Å
150K87.2Confident76.5Confident129 Ų12977.3 Ų77.356%0.56141%0.406SS*.Hα-helixtrans-66.1-35.7178.2-61.7177-174.7169.50111.4E147 S148 T153 M154E147-K150 PolarHBondContact O-N 3.43Å; S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 PolarHBondContact O-N 3.45Å; K150-T153 PolarHBondContact O-OG1 2.97Å; K150-M154 WeakPolarHBondContact O-CG 3.34Å; K150-M154 PolarHBondContact O-N 3.19Å
151N75.5Confident73.9Confident58 Ų5879 Ų7931%0.3142%0.421SS..Hα-helixtrans-78.1-32.2-179.5-63.3-27.5000112.2M54 S148 W149 N155M54-N151 HydrophobicContact CE-CB 3.39Å; S148-N151 PolarHBondContact O-N 3.4Å; W149-N151 VanDerWaalsContact C-N 3.3Å; W149-N151 PolarHBondContact O-N 3.02Å; N151-N155 PolarHBondContact O-N 3.22Å
152A70.2Confident71.1Confident26 Ų2688.5 Ų88.522%0.21546%0.462CS..Hα-helixtrans-62.7-45.7174.900000111.3I52 S148 W149 N155I52-A152 HydrophobicContact CB-CB 4.5Å; I52-A152 HydrophobicContact CD1-CB 4.27Å; I52-A152 HydrophobicContact CG2-CB 4.13Å; S148-A152 PolarHBondContact O-N 3.35Å; W149-A152 PolarHBondContact O-N 3.48Å; A152-N155 PolarHBondContact O-N 3.18Å
153T63.5Low68.3Low89 Ų8993.1 Ų93.155%0.54648%0.484SS..Hα-helixtrans-68.4-36.2-179.346.50000113.6W149 K150 N155 E156W149-T153 PolarHBondContact O-N 3.04Å; W149-T153 PolarHBondContact O-OG1 3.35Å; K150-T153 PolarHBondContact O-OG1 2.97Å; T153-N155 PolarHBondContact O-N 3.48Å; T153-E156 PolarHBondContact O-N 3.11Å
154M58.3Low65.5Low131 Ų13198.8 Ų98.865%0.64551%0.509SS*.Hα-helixtrans-68.2-33177.6-72.7-167-178.600113.3K150 E156 S157K150-M154 WeakPolarHBondContact O-CG 3.34Å; K150-M154 PolarHBondContact O-N 3.19Å; M154-E156 VanDerWaalsContact C-N 3.33Å; M154-E156 PolarHBondContact O-N 3.48Å; M154-S157 PolarHBondContact O-N 2.94Å; M154-S157 PolarHBondContact O-OG 3.48Å
155N53.3Low62.9Low72 Ų72107.8 Ų107.839%0.38555%0.551SS.*Hα-helixtrans-72.5-26.4-178.1-169.161.7000112.3K37 N151 A152 T153 S158K37-N155 PolarHBondContact NZ-OD1 3.39Å; N151-N155 PolarHBondContact O-N 3.22Å; A152-N155 PolarHBondContact O-N 3.18Å; T153-N155 PolarHBondContact O-N 3.48Å; N155-S158 PolarHBondContact O-OG 3.46Å
156E51.1Low60.4Low162 Ų162115.4 Ų115.476%0.75759%0.591SS**Hα-helixtrans-71.5-36.5173.1-66.7-172.1159.700112.4T153 M154 S158 G159T153-E156 PolarHBondContact O-N 3.11Å; M154-E156 VanDerWaalsContact C-N 3.33Å; M154-E156 PolarHBondContact O-N 3.48Å; E156-S158 PolarHBondContact O-N 3.11Å; E156-G159 PolarHBondContact O-N 2.99Å
157S45.2Very low57.7Low99 Ų99113.5 Ų113.569%0.69260%0.601SS**THydrogen-bonded Turntrans-71.5-8.9-178.467.10000115.4M154M154-S157 PolarHBondContact O-N 2.94Å; M154-S157 PolarHBondContact O-OG 3.48Å
158S50.1Low55.1Low92 Ų92118.9 Ų118.964%0.64363%0.631SS**THydrogen-bonded Turntrans-104.14.8-177.4650000114.4N155 E156N155-S158 PolarHBondContact O-OG 3.46Å; E156-S158 PolarHBondContact O-N 3.11Å
159G45Very low52.9Low56 Ų56123.5 Ų123.558%0.57766%0.663SS**  trans-98.310.4-171.300000117.1E156 D161E156-G159 PolarHBondContact O-N 2.99Å; G159-D161 VanDerWaalsContact C-N 3.28Å; G159-D161 PolarHBondContact O-N 3.33Å
160E36.1Very low50.6Low186 Ų186127.6 Ų127.687%0.86968%0.684SS**  trans-73.482.9173.1-72.2-177.9171.800110.4K162E160-K162 PolarHBondContact O-N 2.72Å; E160-K162 VanDerWaalsContact O-N 3.16Å
161D41.8Very low48.8Very low117 Ų117127.3 Ų127.363%0.62670%0.698SS**  trans-59110.4158.7-84.6-33.2000107.1K30 G159 E163K30-D161 IonicContact NZ-OD1 3.33Å; K30-D161 PolarHBondContact NZ-OD1 2.9Å; K30-D161 IonicContact NZ-OD2 2.72Å; K30-D161 PolarHBondContact NZ-OD2 3.16Å; G159-D161 VanDerWaalsContact C-N 3.28Å; G159-D161 PolarHBondContact O-N 3.33Å; D161-E163 PolarHBondContact O-N 3.18Å; D161-E163 VanDerWaalsContact O-N 3.09Å
162K39.7Very low47.3Very low198 Ų198133.5 Ų133.586%0.86173%0.725SS**  trans-59.1111.4169.1-71.4-179.5177.3178.70108.4E160 E164E160-K162 PolarHBondContact O-N 2.72Å; E160-K162 VanDerWaalsContact O-N 3.16Å; K162-E164 PolarHBondContact O-N 3.09Å
163E38.8Very low46.3Very low190 Ų190137.3 Ų137.389%0.88875%0.748SS**  trans-63.8110.2161.1-68.2-176.6163.700107.3D161 E165D161-E163 PolarHBondContact O-N 3.18Å; D161-E163 VanDerWaalsContact O-N 3.09Å; E163-E165 PolarHBondContact O-N 3.25Å; E163-E165 VanDerWaalsContact O-N 3.17Å
164E40.8Very low45.8Very low185 Ų185138 Ų13886%0.86476%0.756SS**  trans-69.9104.8168.2-73.3-175.7162.900107.8K162 D166K162-E164 PolarHBondContact O-N 3.09Å; E164-D166 PolarHBondContact O-N 3.17Å
165E41.5Very low45.4Very low192 Ų192137.6 Ų137.690%0.89776%0.761SS**  trans-62.8111.7163.2-82.6-176.2143.200108.9E163 G167E163-E165 PolarHBondContact O-N 3.25Å; E163-E165 VanDerWaalsContact O-N 3.17Å; E165-G167 PolarHBondContact O-N 2.93Å
166D45.7Very low45.3Very low167 Ų167139.6 Ų139.689%0.89378%0.781SS**  trans-62.696.9165-88.5-33.5000109.3E164 D168E164-D166 PolarHBondContact O-N 3.17Å; D166-D168 PolarHBondContact O-N 3.32Å
167G41Very low45Very low68 Ų68142.1 Ų142.170%0.70178%0.784SS**  trans-75.693.317400000112E165 S169E165-G167 PolarHBondContact O-N 2.93Å; G167-S169 PolarHBondContact O-N 3.18Å
168D40.4Very low45.3Very low164 Ų164143.5 Ų143.588%0.87779%0.79SS**  trans-75.4108.5162.2-174.323.2000109.6D166D166-D168 PolarHBondContact O-N 3.32Å
169S51.9Low45.2Very low98 Ų98148.7 Ų148.769%0.68580%0.796SS**  trans-133.2104.5174.944.70000113G167G167-S169 PolarHBondContact O-N 3.18Å
170K45.6Very low45.4Very low201 Ų201156.3 Ų156.387%0.87481%0.807SS**  trans62.7118.4134.6-66-179.9178.9174.40119.6
171S50.1Low45.8Very low123 Ų123153 Ų15386%0.8680%0.795SS**  -164.5110.6123.350.80000113.1
172Q44Very low46.3Very low188 Ų188155.6 Ų155.688%0.87980%0.803SS**  trans-91.8-177.1152.7-86-161.5-15.200108.8
173P47.7Very low47Very low105 Ų105161.4 Ų161.468%0.68282%0.819SS**  cis-137.2-168.3-4.622.54.4000114.6
174S54.4Low47.4Very low104 Ų104160 Ų16073%0.72782%0.816SS**  trans91.4140.9152.787.90000116.3
175T49Very low47.8Very low122 Ų122158.7 Ų158.775%0.74881%0.813SS**  cis-165.1167.6-1.828.80000108
176S51.3Low48.1Very low115 Ų115156.8 Ų156.880%0.80481%0.809SS**  trans97.595.8151.5-49.20000118.7
177R46Very low48.3Very low214 Ų214156.2 Ų156.281%0.80880%0.804SS**  trans-78.2163.2154.9-125.6179.6-179.8-163.52108.9
178P50.3Low48.7Very low128 Ų128161.8 Ų161.883%0.83181%0.81SS**  -151.5-17873.136.9-14.2000117.4
179R48.8Very low49.3Very low202 Ų202161.6 Ų161.676%0.76281%0.806SS**  trans-65.5168.8-169.5-65.7169.2160-145.9-3.3117.8
180R48.2Very low49.1Very low215 Ų215166.1 Ų166.181%0.81181%0.814SS**  trans102.6142.3148-73.6-174.6161-135.70.7113.3
181L45.8Very low49.4Very low117 Ų117163.5 Ų163.561%0.61381%0.81SS**  cis-173.3165.7-4.7-119.4159.5000106.2
182H50.5Low49.3Very low171 Ų171166.8 Ų166.879%0.79281%0.806SS**  trans84.4108.1161.1-66.727.2000119.2
183R56Low49.8Very low321 Ų321164.9 Ų164.9100%1.21180%0.799SS**  -157.3089.7-153.4177.4-171.8-1502.5110.1

Retrieved 183 of 183 residues in 1538.1 ms (Link to these results)

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