A0A096M5W9_POEFO Loading...

Pyroglutamyl-peptidase I like

AlphaFold DB , UniProt , Accession A0A096M5W9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 168 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.1Low80.6Confident122 Ų122140.4 Ų140.460%0.60169%0.692SS**  0116.60-74.2171.8152.200107.6Q149M1-Q149 HydrophobicContact CE-CB 3.74Å; M1-Q149 HydrophobicContact CE-CG 3.56Å; M1-Q149 HydrophobicContact SD-CG 4.18Å
2G48.2Very low82Confident65 Ų65132.4 Ų132.467%0.6765%0.654SS**  trans-67.5162.2-175.600000113R4G2-R4 PolarHBondContact O-N 3.37Å
3Q53.8Low83.1Confident208 Ų208126.3 Ų126.397%0.97263%0.63SS**THydrogen-bonded Turntrans-60.534.1-165.5-70.9171.4-22.500118.1
4R75.8Confident84.1Confident242 Ų242122 Ų12291%0.91361%0.614SS**THydrogen-bonded Turntrans-140.16.2-178.8-82.1-168.4-172179.53.1117.2G2G2-R4 PolarHBondContact O-N 3.37Å
5I83.7Confident85Confident79 Ų79114.2 Ų114.241%0.40558%0.575SS.*  trans-117.3107.8179.3-58.2167.8000109.2V7 L156I5-V7 HydrophobicContact CG2-CG2 4.01Å; I5-L156 HydrophobicContact CD1-CD1 3.6Å; I5-L156 HydrophobicContact CG1-CD1 4.35Å; I5-L156 HydrophobicContact CG2-CD1 4.48Å
6D91.4Very high85.8Confident168 Ų168107.4 Ų107.490%0.89854%0.541SS*.  trans-81.8122.2169.3-66.5-37.8000109.5
7V93.8Very high86.4Confident97 Ų97105.8 Ų105.859%0.58854%0.541SS*.  trans-106.9121.2-178.4-176.60000109.3I5 I9I5-V7 HydrophobicContact CG2-CG2 4.01Å; V7-I9 HydrophobicContact CG1-CG1 3.93Å
8Y96.9Very high87Confident132 Ų132101.9 Ų101.952%0.51853%0.525SS..  trans-101.7126.5168.2-179.8-94.8000109.6K10 L26 L30Y8-K10 HydrophobicContact CD1-CB 4.5Å; Y8-K10 HydrophobicContact CE1-CB 3.86Å; Y8-L26 HydrophobicContact CD1-CD2 4.36Å; Y8-L26 HydrophobicContact CE1-CD1 4.34Å; Y8-L26 HydrophobicContact CE1-CD2 3.56Å; Y8-L30 HydrophobicContact CD1-CD2 3.76Å; Y8-L30 HydrophobicContact CD2-CD2 4.5Å; Y8-L30 HydrophobicContact CG-CD2 3.73Å
9I97.2Very high87.6Confident147 Ų14796.6 Ų96.675%0.75450%0.498SS*.  trans-110.3130.1-177.5-56.3176.5000109.1V7V7-I9 HydrophobicContact CG1-CG1 3.93Å
10K97.8Very high88Confident106 Ų10695.4 Ų95.446%0.46149%0.49SS..  trans-135.8126.3175-177.167.7176.5-175.20110.6Y8 L12 I22 L26Y8-K10 HydrophobicContact CD1-CB 4.5Å; Y8-K10 HydrophobicContact CE1-CB 3.86Å; K10-L12 HydrophobicContact CG-CD2 4.25Å; K10-I22 HydrophobicContact CG-CG2 4.26Å; K10-L26 HydrophobicContact CB-CD1 4.23Å; K10-L26 HydrophobicContact CG-CD1 4.14Å
11E98.1Very high88.5Confident178 Ų17897.7 Ų97.783%0.83249%0.493SS*.PPolyproline II helixtrans-80.2131.9165.1-168.7178.8151.600109.8
12L97.6Very high90.8Very high45 Ų4592.9 Ų92.924%0.23647%0.469CS..PPolyproline II helixtrans-101.5136179-64.7175.8000110.2K10 T19 I22 I23 A115K10-L12 HydrophobicContact CG-CD2 4.25Å; L12-T19 HydrophobicContact CD1-CG2 4.43Å; L12-I22 HydrophobicContact CD2-CB 4.21Å; L12-I22 HydrophobicContact CD2-CG2 3.64Å; L12-I23 HydrophobicContact CD1-CD1 3.92Å; L12-I23 HydrophobicContact CD1-CG1 4.14Å; L12-I23 HydrophobicContact CD2-CG1 4.31Å; L12-A115 HydrophobicContact CD1-CB 4.15Å
13P96.4Very high93.2Very high53 Ų5390 Ų9034%0.34444%0.438SS..PPolyproline II helixtrans-68.7150.8174.330.3-34.3000110.4S15 S18 T19 I22P13-S15 PolarHBondContact O-N 2.83Å; P13-S18 VanDerWaalsContact CG-CB 3.46Å; P13-T19 PolarHBondContact O-OG1 3.37Å; P13-I22 HydrophobicContact CG-CD1 4.1Å
14V96Very high95.3Very high66 Ų6680.9 Ų80.940%0.440%0.399SS..SBendtrans-79.955.5174-166.90000110.2D62 V63 Y110 L111V14-D62 WeakPolarHBondContact O-CB 3.48Å; V14-V63 HydrophobicContact CB-CG1 3.85Å; V14-V63 HydrophobicContact CG1-CG1 4.02Å; V14-V63 VanDerWaalsContact O-CG2 3.24Å; V14-V63 WeakPolarHBondContact O-CG2 3.4Å; V14-V63 PolarHBondContact O-N 3.36Å; V14-Y110 HydrophobicContact CG1-CE1 3.69Å; V14-Y110 VanDerWaalsContact CG1-OH 3.29Å; V14-Y110 WeakPolarHBondContact CG1-OH 3.48Å; V14-L111 HydrophobicContact CG1-CB 4.22Å; V14-L111 HydrophobicContact CG1-CG 3.89Å
15S97.7Very high96.4Very high5 Ų573.9 Ų73.94%0.03538%0.376CS..  trans-136.9129.6179.8167.70000110.1P13 S17 T19 D62P13-S15 PolarHBondContact O-N 2.83Å; S15-S17 PolarHBondContact OG-OG 3.41Å; S15-T19 WeakPolarHBondContact O-CB 3.39Å; S15-T19 PolarHBondContact O-N 3.3Å; S15-T19 PolarHBondContact O-OG1 3.31Å; S15-D62 VanDerWaalsContact CA-OD2 3.24Å; S15-D62 WeakPolarHBondContact CA-OD2 3.48Å; S15-D62 PolarHBondContact OG-OD2 3.44Å
16Y97.9Very high97.1Very high6 Ų671.9 Ų71.92%0.02437%0.366CS..Hα-helixtrans-62-51.5-174.1-71.1-72.3000111.9S18 T19 Q20 Y58 T60 D62 F66 P68 Y110 L111 F114Y16-S18 PolarHBondContact O-N 3.37Å; Y16-T19 PolarHBondContact O-N 3.28Å; Y16-Q20 WeakPolarHBondContact O-CB 3.49Å; Y16-Q20 PolarHBondContact O-N 3.22Å; Y16-Y58 HydrophobicContact CE1-CD1 4.25Å; Y16-Y58 HydrophobicContact CE1-CG 4.32Å; Y16-T60 WeakPolarHBondContact CE2-O 3.27Å; Y16-T60 PolarHBondContact OH-O 2.87Å; Y16-D62 HydrophobicContact CD2-CB 3.64Å; Y16-D62 HydrophobicContact CE2-CB 3.8Å; Y16-D62 PolarHBondContact N-OD2 3.05Å; Y16-F66 WeakPolarHBondContact CD2-O 3.38Å; Y16-F66 WeakPolarHBondContact CE2-O 3.42Å; Y16-P68 HydrophobicContact CD1-CG 3.46Å; Y16-P68 VanDerWaalsContact CD1-CG 3.46Å; Y16-P68 HydrophobicContact CD2-CG 3.97Å; Y16-P68 HydrophobicContact CE1-CG 3.65Å; Y16-P68 HydrophobicContact CE2-CG 4.18Å; Y16-P68 HydrophobicContact CG-CG 3.6Å; Y16-Y110 WeakPolarHBondContact OH-CD2 3.42Å; Y16-L111 HydrophobicContact CD1-CD1 4.25Å; Y16-L111 HydrophobicContact CD1-CD2 3.57Å; Y16-L111 HydrophobicContact CD2-CD2 4.02Å; Y16-L111 HydrophobicContact CE1-CD2 3.32Å; Y16-L111 HydrophobicContact CE2-CD2 3.75Å; Y16-L111 HydrophobicContact CG-CD2 3.94Å; Y16-L111 VanDerWaalsContact CZ-CD2 3.4Å; Y16-F114 HydrophobicContact CD1-CB 4.19Å; Y16-F114 AromaticContact CD1-CD1 3.87Å; Y16-F114 HydrophobicContact CD1-CD1 3.87Å; Y16-F114 AromaticContact CD1-CD2 3.38Å; Y16-F114 HydrophobicContact CD1-CD2 3.38Å; Y16-F114 HydrophobicContact CD1-CE1 4.04Å; Y16-F114 AromaticContact CD1-CE2 3.53Å; Y16-F114 HydrophobicContact CD1-CE2 3.53Å; Y16-F114 AromaticContact CD1-CG 3.56Å; Y16-F114 HydrophobicContact CD1-CG 3.56Å; Y16-F114 AromaticContact CD1-CZ 3.9Å; Y16-F114 HydrophobicContact CD1-CZ 3.9Å; Y16-F114 HydrophobicContact CE1-CB 4.07Å; Y16-F114 AromaticContact CE1-CD2 3.65Å; Y16-F114 HydrophobicContact CE1-CD2 3.65Å; Y16-F114 HydrophobicContact CE1-CE2 4.18Å; Y16-F114 AromaticContact CE1-CG 3.88Å; Y16-F114 HydrophobicContact CE1-CG 3.88Å; Y16-F114 HydrophobicContact CG-CE2 4.37Å; Y16-F114 HydrophobicContact CG-CZ 4.49Å; Y16-F114 WeakPolarHBondContact O-CE1 3.35Å
17S96.1Very high97.4Very high79 Ų7965 Ų6555%0.55233%0.328SS*.Hα-helixtrans-63-44.5-176.857.60000112.2S15 R21S15-S17 PolarHBondContact OG-OG 3.41Å; S17-R21 WeakPolarHBondContact O-CB 3.43Å; S17-R21 PolarHBondContact O-N 3.29Å; S17-R21 VanDerWaalsContact O-N 3.14Å
18S97.4Very high97.6Very high36 Ų3667.1 Ų67.125%0.25233%0.331SS..Hα-helixtrans-67.6-42.1178.9-64.10000111.7P13 Y16 R21 I22P13-S18 VanDerWaalsContact CG-CB 3.46Å; Y16-S18 PolarHBondContact O-N 3.37Å; S18-R21 PolarHBondContact O-N 3.13Å; S18-I22 WeakPolarHBondContact O-CB 3.31Å; S18-I22 WeakPolarHBondContact O-CD1 3.33Å; S18-I22 WeakPolarHBondContact O-CG1 3.48Å; S18-I22 PolarHBondContact O-N 2.75Å
19T97.8Very high97.7Very high1 Ų165.5 Ų65.51%0.00634%0.335CS..Hα-helixtrans-60.3-50.7177.2-66.80000111.4L12 P13 S15 Y16 R21 I22 I23 L111 F114 A115L12-T19 HydrophobicContact CD1-CG2 4.43Å; P13-T19 PolarHBondContact O-OG1 3.37Å; S15-T19 WeakPolarHBondContact O-CB 3.39Å; S15-T19 PolarHBondContact O-N 3.3Å; S15-T19 PolarHBondContact O-OG1 3.31Å; Y16-T19 PolarHBondContact O-N 3.28Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 3.47Å; T19-I22 PolarHBondContact O-N 3.18Å; T19-I23 HydrophobicContact CG2-CD1 3.63Å; T19-I23 HydrophobicContact CG2-CG1 4.42Å; T19-I23 WeakPolarHBondContact O-CB 3.46Å; T19-I23 WeakPolarHBondContact O-CG1 3.28Å; T19-I23 PolarHBondContact O-N 2.76Å; T19-L111 HydrophobicContact CG2-CD1 4.42Å; T19-L111 WeakPolarHBondContact OG1-CD1 3.27Å; T19-F114 HydrophobicContact CG2-CD1 4.18Å; T19-F114 HydrophobicContact CG2-CE1 4.5Å; T19-A115 HydrophobicContact CG2-CB 3.73Å
20Q97.2Very high97.6Very high72 Ų7262.6 Ų62.634%0.33632%0.32SS..Hα-helixtrans-58.3-47.4-179.9-172.2174.3-14.500111.2Y16 A24 F114Y16-Q20 WeakPolarHBondContact O-CB 3.49Å; Y16-Q20 PolarHBondContact O-N 3.22Å; Q20-A24 WeakPolarHBondContact O-CB 3.45Å; Q20-A24 PolarHBondContact O-N 3.03Å; Q20-F114 HydrophobicContact CB-CE1 3.98Å; Q20-F114 HydrophobicContact CB-CZ 4.26Å
21R98.1Very high97.6Very high145 Ų14567.4 Ų67.455%0.54734%0.336SS..Hα-helixtrans-61.1-50.9178.9-176.6178.859.775.2-1.2112.2S17 S18 T19 I23 A24 E25S17-R21 WeakPolarHBondContact O-CB 3.43Å; S17-R21 PolarHBondContact O-N 3.29Å; S17-R21 VanDerWaalsContact O-N 3.14Å; S18-R21 PolarHBondContact O-N 3.13Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 3.47Å; R21-I23 PolarHBondContact O-N 3.48Å; R21-A24 PolarHBondContact O-N 3.29Å; R21-E25 IonicContact NH1-OE2 3.69Å; R21-E25 WeakPolarHBondContact O-CB 3.5Å; R21-E25 PolarHBondContact O-N 3.5Å
22I98.6Very high97.5Very high21 Ų2160.5 Ų60.511%0.10831%0.306CS..Hα-helixtrans-62.3-44.6-177.7-69164.7000110.7K10 L12 P13 S18 T19 E25 L26K10-I22 HydrophobicContact CG-CG2 4.26Å; L12-I22 HydrophobicContact CD2-CB 4.21Å; L12-I22 HydrophobicContact CD2-CG2 3.64Å; P13-I22 HydrophobicContact CG-CD1 4.1Å; S18-I22 WeakPolarHBondContact O-CB 3.31Å; S18-I22 WeakPolarHBondContact O-CD1 3.33Å; S18-I22 WeakPolarHBondContact O-CG1 3.48Å; S18-I22 PolarHBondContact O-N 2.75Å; T19-I22 PolarHBondContact O-N 3.18Å; I22-E25 PolarHBondContact O-N 3.12Å; I22-L26 HydrophobicContact CG2-CD1 3.92Å; I22-L26 HydrophobicContact CG2-CG 4.32Å; I22-L26 WeakPolarHBondContact O-CB 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.3Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 3.23Å
23I98.5Very high97.4Very high4 Ų462.6 Ų62.62%0.02131%0.313CS..Hα-helixtrans-64-47.2-179.6-72.8176.2000110.9L12 T19 R21 E25 L26 W27 A115 S119L12-I23 HydrophobicContact CD1-CD1 3.92Å; L12-I23 HydrophobicContact CD1-CG1 4.14Å; L12-I23 HydrophobicContact CD2-CG1 4.31Å; T19-I23 HydrophobicContact CG2-CD1 3.63Å; T19-I23 HydrophobicContact CG2-CG1 4.42Å; T19-I23 WeakPolarHBondContact O-CB 3.46Å; T19-I23 WeakPolarHBondContact O-CG1 3.28Å; T19-I23 PolarHBondContact O-N 2.76Å; R21-I23 PolarHBondContact O-N 3.48Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.37Å; I23-L26 PolarHBondContact O-N 3.45Å; I23-W27 VanDerWaalsContact O-CD1 3.28Å; I23-W27 PolarHBondContact O-N 3.3Å; I23-A115 HydrophobicContact CD1-CB 3.81Å; I23-A115 WeakPolarHBondContact CD1-O 3.33Å; I23-S119 WeakPolarHBondContact CG2-OG 3.44Å
24A98.3Very high97.5Very high17 Ų1761.3 Ų61.314%0.1430%0.302CS..Hα-helixtrans-58.1-45.6177.500000111.3Q20 R21 W27 Q28Q20-A24 WeakPolarHBondContact O-CB 3.45Å; Q20-A24 PolarHBondContact O-N 3.03Å; R21-A24 PolarHBondContact O-N 3.29Å; A24-W27 PolarHBondContact O-N 2.9Å; A24-Q28 VanDerWaalsContact O-CG 3.26Å; A24-Q28 WeakPolarHBondContact O-CG 3.48Å; A24-Q28 PolarHBondContact O-N 3.01Å; A24-Q28 VanDerWaalsContact O-N 3.07Å
25E98.4Very high97.6Very high95 Ų9559.1 Ų59.144%0.44429%0.291SS..Hα-helixtrans-61.9-44.5178-174.9179.7175.300112.2R21 I22 I23 Q28 T29R21-E25 IonicContact NH1-OE2 3.69Å; R21-E25 WeakPolarHBondContact O-CB 3.5Å; R21-E25 PolarHBondContact O-N 3.5Å; I22-E25 PolarHBondContact O-N 3.12Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.37Å; E25-Q28 PolarHBondContact O-N 3.26Å; E25-T29 HydrophobicContact CG-CG2 4.22Å; E25-T29 WeakPolarHBondContact O-CB 3.48Å; E25-T29 WeakPolarHBondContact O-CG2 3.47Å; E25-T29 PolarHBondContact O-N 3.16Å; E25-T29 PolarHBondContact O-OG1 3.3Å
26L98.4Very high97.6Very high36 Ų3661.1 Ų61.119%0.18830%0.303CS..Hα-helixtrans-63.4-43.2178.1-73.1174.3000112Y8 K10 I22 I23 Q28 L30 R31Y8-L26 HydrophobicContact CD1-CD2 4.36Å; Y8-L26 HydrophobicContact CE1-CD1 4.34Å; Y8-L26 HydrophobicContact CE1-CD2 3.56Å; K10-L26 HydrophobicContact CB-CD1 4.23Å; K10-L26 HydrophobicContact CG-CD1 4.14Å; I22-L26 HydrophobicContact CG2-CD1 3.92Å; I22-L26 HydrophobicContact CG2-CG 4.32Å; I22-L26 WeakPolarHBondContact O-CB 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.3Å; I22-L26 WeakPolarHBondContact O-CG 3.37Å; I22-L26 PolarHBondContact O-N 3.23Å; I23-L26 PolarHBondContact O-N 3.45Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.15Å; L26-L30 VanDerWaalsContact O-CB 3.28Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 PolarHBondContact O-N 3.2Å; L26-R31 PolarHBondContact O-N 3.27Å
27W98.3Very high97.7Very high25 Ų2561.9 Ų61.910%0.09531%0.307CS..Hα-helixtrans-64-35176.7-83.4106.4000112.6I23 A24 R31 P32 A35 S119 H122 G123 R126I23-W27 VanDerWaalsContact O-CD1 3.28Å; I23-W27 PolarHBondContact O-N 3.3Å; A24-W27 PolarHBondContact O-N 2.9Å; W27-R31 WeakPolarHBondContact O-CA 3.26Å; W27-P32 HydrophobicContact CD2-CG 4.03Å; W27-P32 HydrophobicContact CE3-CG 3.69Å; W27-P32 HydrophobicContact CH2-CG 4.02Å; W27-P32 HydrophobicContact CZ2-CG 4.34Å; W27-P32 HydrophobicContact CZ3-CG 3.69Å; W27-P32 VanDerWaalsContact CZ3-O 3.26Å; W27-P32 WeakPolarHBondContact CZ3-O 3.18Å; W27-A35 HydrophobicContact CH2-CB 4.31Å; W27-A35 HydrophobicContact CZ2-CB 3.54Å; W27-S119 PolarHBondContact NE1-OG 3.49Å; W27-H122 HydrophobicContact CB-CB 3.95Å; W27-H122 HydrophobicContact CG-CB 3.9Å; W27-G123 VanDerWaalsContact CZ3-CA 3.49Å; W27-R126 HydrophobicContact CH2-CB 4.1Å; W27-R126 VanDerWaalsContact CH2-O 3.23Å; W27-R126 WeakPolarHBondContact CH2-O 3.36Å; W27-R126 WeakPolarHBondContact CZ2-O 3.24Å
28Q97.7Very high97.8Very high141 Ų14162.5 Ų62.566%0.65930%0.304SS*.Hα-helixtrans-74.6-43.2178-72.41733.700113A24 E25 L26 R31A24-Q28 VanDerWaalsContact O-CG 3.26Å; A24-Q28 WeakPolarHBondContact O-CG 3.48Å; A24-Q28 PolarHBondContact O-N 3.01Å; A24-Q28 VanDerWaalsContact O-N 3.07Å; E25-Q28 PolarHBondContact O-N 3.26Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.15Å; Q28-R31 WeakPolarHBondContact O-CG 3.46Å
29T97.8Very high97.7Very high98 Ų9861.4 Ų61.460%0.60130%0.297SS*.Hα-helixtrans-91-49.6-170.156.80000112.7E25E25-T29 HydrophobicContact CG-CG2 4.22Å; E25-T29 WeakPolarHBondContact O-CB 3.48Å; E25-T29 WeakPolarHBondContact O-CG2 3.47Å; E25-T29 PolarHBondContact O-N 3.16Å; E25-T29 PolarHBondContact O-OG1 3.3Å
30L96.4Very high97.5Very high85 Ų8566.4 Ų66.445%0.44532%0.323SS..THydrogen-bonded Turntrans-80.6-27.7-178.8-177.964.1000112Y8 L26 P32Y8-L30 HydrophobicContact CD1-CD2 3.76Å; Y8-L30 HydrophobicContact CD2-CD2 4.5Å; Y8-L30 HydrophobicContact CG-CD2 3.73Å; L26-L30 VanDerWaalsContact O-CB 3.28Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 PolarHBondContact O-N 3.2Å; L30-P32 HydrophobicContact CD2-CB 4.48Å
31R96.1Very high97.3Very high208 Ų20863.6 Ų63.679%0.78531%0.313SS*.  trans47.854.3-177.2-58178.666171.71.8112.4L26 W27 Q28L26-R31 PolarHBondContact O-N 3.27Å; W27-R31 WeakPolarHBondContact O-CA 3.26Å; Q28-R31 WeakPolarHBondContact O-CG 3.46Å
32P96.7Very high96.7Very high32 Ų3268 Ų6821%0.20833%0.329CS..  trans-62.9148-173.927.2-33.4000111.8W27 L30 F34W27-P32 HydrophobicContact CD2-CG 4.03Å; W27-P32 HydrophobicContact CE3-CG 3.69Å; W27-P32 HydrophobicContact CH2-CG 4.02Å; W27-P32 HydrophobicContact CZ2-CG 4.34Å; W27-P32 HydrophobicContact CZ3-CG 3.69Å; W27-P32 VanDerWaalsContact CZ3-O 3.26Å; W27-P32 WeakPolarHBondContact CZ3-O 3.18Å; L30-P32 HydrophobicContact CD2-CB 4.48Å; P32-F34 PolarHBondContact O-N 3.48Å
33K95.7Very high96.2Very high90 Ų9070.1 Ų70.139%0.39136%0.357SS..SBendtrans-61.1-37.2171.2178.7-179.8173.6-174.30111E160K33-E160 IonicContact NZ-OE1 2.87Å; K33-E160 PolarHBondContact NZ-OE1 3.42Å
34F97.8Very high95.9Very high25 Ų2571 Ų7111%0.1136%0.363CS..  trans-159.4145.4-176.3-163.8-120.2000110.3P32 V36 V85 R126 A128 M155 L156 L159P32-F34 PolarHBondContact O-N 3.48Å; F34-V36 HydrophobicContact CD1-CG2 3.67Å; F34-V36 HydrophobicContact CE1-CG2 3.69Å; F34-V85 HydrophobicContact CE1-CG2 4.4Å; F34-V85 HydrophobicContact CE2-CG2 3.8Å; F34-V85 HydrophobicContact CZ-CB 4.45Å; F34-V85 HydrophobicContact CZ-CG2 3.51Å; F34-R126 HydrophobicContact CD2-CB 3.94Å; F34-R126 WeakPolarHBondContact CD2-O 3.49Å; F34-R126 HydrophobicContact CE2-CB 4.5Å; F34-A128 HydrophobicContact CE1-CB 3.73Å; F34-A128 HydrophobicContact CZ-CB 3.66Å; F34-M155 HydrophobicContact CE1-CB 4.02Å; F34-M155 HydrophobicContact CE1-SD 4.03Å; F34-L156 HydrophobicContact CB-CD2 4.17Å; F34-L159 HydrophobicContact CB-CD1 3.7Å; F34-L159 HydrophobicContact CD1-CD1 4.29Å; F34-L159 HydrophobicContact CD2-CD1 3.48Å; F34-L159 VanDerWaalsContact CD2-CD1 3.48Å; F34-L159 HydrophobicContact CD2-CD2 4.16Å; F34-L159 HydrophobicContact CD2-CG 4.38Å; F34-L159 HydrophobicContact CE2-CD1 4.12Å; F34-L159 HydrophobicContact CE2-CD2 4.2Å; F34-L159 HydrophobicContact CG-CD1 3.59Å
35A98.4Very high95.7Very high20 Ų2072.7 Ų72.717%0.16537%0.374CS..EExtended strand (participates in β ladder)trans-112.8134171.900000110.9W27 R126 A127 A128W27-A35 HydrophobicContact CH2-CB 4.31Å; W27-A35 HydrophobicContact CZ2-CB 3.54Å; A35-R126 PolarHBondContact N-O 2.98Å; A35-R126 VanDerWaalsContact N-O 3.13Å; A35-A127 HydrophobicContact CB-CB 4.3Å; A35-A127 CarbonylContact O-C 3.48Å; A35-A127 WeakPolarHBondContact O-CA 3.26Å; A35-A128 PolarHBondContact O-N 3.46Å
36V98.6Very high95.5Very high47 Ų4770.7 Ų70.729%0.28537%0.366SS..EExtended strand (participates in β ladder)trans-117.5115.5173.5-176.50000108.2F34 L38 A128 I130 I152 M155F34-V36 HydrophobicContact CD1-CG2 3.67Å; F34-V36 HydrophobicContact CE1-CG2 3.69Å; V36-L38 HydrophobicContact CG1-CD2 4.22Å; V36-A128 HydrophobicContact CG2-CB 4.45Å; V36-I130 HydrophobicContact CG1-CD1 3.76Å; V36-I130 HydrophobicContact CG1-CG1 4.18Å; V36-I152 HydrophobicContact CG1-CD1 4.3Å; V36-I152 HydrophobicContact CG1-CG1 4.23Å; V36-I152 HydrophobicContact CG2-CG1 4.23Å; V36-M155 HydrophobicContact CG2-SD 4.37Å
37H98.6Very high95.5Very high23 Ų2369 Ų6911%0.10636%0.357CS..EExtended strand (participates in β ladder)trans-92.5139.5175.4-68.4-91.3000110S119 A128 F129 I130H37-S119 PolarHBondContact CE1-OG 2.76Å; H37-S119 VanDerWaalsContact CE1-OG 3.31Å; H37-S119 VanDerWaalsContact NE2-CB 3.27Å; H37-S119 WeakPolarHBondContact NE2-CB 3.33Å; H37-S119 PolarHBondContact NE2-OG 2.74Å; H37-A128 PolarHBondContact N-O 3.34Å; H37-F129 HydrophobicContact CB-CB 4.33Å; H37-F129 HydrophobicContact CB-CD2 3.23Å; H37-F129 HydrophobicContact CB-CE2 3.69Å; H37-F129 HydrophobicContact CB-CG 4.04Å; H37-F129 WeakPolarHBondContact O-CA 3.25Å; H37-I130 PolarHBondContact O-N 2.83Å
38L98.1Very high95.5Very high92 Ų9269.2 Ų69.248%0.48236%0.36SS..EExtended strand (participates in β ladder)trans-118137.8174.4-55.9-178.6000109V36 I130 I132 L148V36-L38 HydrophobicContact CG1-CD2 4.22Å; L38-I130 WeakPolarHBondContact CA-O 3.32Å; L38-I130 HydrophobicContact CD2-CB 3.78Å; L38-I130 HydrophobicContact CD2-CD1 4.08Å; L38-I130 HydrophobicContact CD2-CG1 4.3Å; L38-I130 HydrophobicContact CD2-CG2 4.49Å; L38-I132 HydrophobicContact CD2-CG2 4.45Å; L38-L148 HydrophobicContact CD1-CD1 4.21Å; L38-L148 HydrophobicContact CD2-CD1 4.48Å; L38-L148 HydrophobicContact CD2-CD2 4.29Å
39G96.6Very high95.6Very high12 Ų1262.5 Ų62.512%0.12433%0.328CS..EExtended strand (participates in β ladder)trans-147.9152.1171.300000111.8A41 I130 H131 I132G39-A41 PolarHBondContact O-N 3.41Å; G39-I130 PolarHBondContact N-O 3.21Å; G39-I130 VanDerWaalsContact N-O 3.15Å; G39-H131 CarbonylContact O-C 3.57Å; G39-H131 WeakPolarHBondContact O-CA 3.23Å; G39-I132 WeakPolarHBondContact O-CG1 3.28Å; G39-I132 PolarHBondContact O-N 3.41Å
40I94.3Very high95.6Very high106 Ų10658 Ų5854%0.54430%0.301SS..EExtended strand (participates in β ladder)trans-80.4121.5-177.5-63.6170.3000109.6R42 I132I40-R42 PolarHBondContact O-N 2.75Å; I40-I132 HydrophobicContact CG1-CD1 4.24Å; I40-I132 HydrophobicContact CG1-CG1 4.15Å
41A91.4Very high95.7Very high14 Ų1454.8 Ų54.812%0.11628%0.283CS..EExtended strand (participates in β ladder)trans-83.298.8165.900000109.8G39 G43 S44 I48 H131 I132 S134G39-A41 PolarHBondContact O-N 3.41Å; A41-G43 PolarHBondContact O-N 2.86Å; A41-S44 WeakPolarHBondContact O-CB 3.42Å; A41-S44 PolarHBondContact O-N 2.75Å; A41-I48 HydrophobicContact CB-CD1 4.38Å; A41-H131 HydrophobicContact CB-CB 3.79Å; A41-I132 PolarHBondContact N-O 2.79Å; A41-S134 PolarHBondContact O-OG 3.38Å
42R86.8Confident95.8Very high236 Ų23645.1 Ų45.189%0.89125%0.247SC*.THydrogen-bonded Turntrans-57.4126.7-178.7-65.1-178.370.1177.12.2111I40 S44I40-R42 PolarHBondContact O-N 2.75Å; R42-S44 PolarHBondContact O-N 3.32Å
43G87.8Confident95.9Very high67 Ų6743.6 Ų43.669%0.69124%0.237SC*.THydrogen-bonded Turntrans79.3-5.2179.900000114.9A41 S134A41-G43 PolarHBondContact O-N 2.86Å; G43-S134 PolarHBondContact N-OG 3.03Å
44S91.4Very high96.1Very high21 Ų2141.1 Ų41.115%0.14723%0.227CC..  trans-83.5139.3177-175.80000111.5A41 R42 L46 P133 S134 S135A41-S44 WeakPolarHBondContact O-CB 3.42Å; A41-S44 PolarHBondContact O-N 2.75Å; R42-S44 PolarHBondContact O-N 3.32Å; S44-L46 PolarHBondContact OG-N 2.98Å; S44-L46 PolarHBondContact OG-O 3.01Å; S44-P133 CarbonylContact O-C 3.42Å; S44-P133 VanDerWaalsContact O-CA 3.26Å; S44-P133 WeakPolarHBondContact O-CA 3.41Å; S44-P133 VanDerWaalsContact O-CB 3.25Å; S44-P133 WeakPolarHBondContact O-CB 3.46Å; S44-S134 PolarHBondContact O-N 3.36Å; S44-S135 PolarHBondContact O-N 2.87Å; S44-S135 PolarHBondContact O-OG 3.19Å
45S93.7Very high96.1Very high53 Ų5340 Ų4037%0.37122%0.221SC..  trans-98-0.4164.362.70000113.2S135S45-S135 WeakPolarHBondContact CA-O 3.46Å
46L95.9Very high96.1Very high53 Ų5341 Ų4128%0.27723%0.227SC..SBendtrans-101.4148.7-175.4-48.4178.8000111.1S44 I48 D100 V102S44-L46 PolarHBondContact OG-N 2.98Å; S44-L46 PolarHBondContact OG-O 3.01Å; L46-I48 HydrophobicContact CB-CG1 4.31Å; L46-D100 HydrophobicContact CD2-CB 3.69Å; L46-V102 HydrophobicContact CB-CG2 4.32Å; L46-V102 HydrophobicContact CD1-CG1 4.24Å; L46-V102 HydrophobicContact CD1-CG2 4.08Å
47V97.9Very high96Very high0 Ų040.4 Ų40.40%023%0.231CC..EExtended strand (participates in β ladder)trans-84.6125160.1174.90000108L49 D100 V101 V102 I130 H131 P133 L138 L144 L147 I151V47-L49 HydrophobicContact CG1-CD2 4.22Å; V47-D100 PolarHBondContact N-O 3.25Å; V47-V101 HydrophobicContact CB-CG2 4.26Å; V47-V101 HydrophobicContact CG1-CG1 4.36Å; V47-V101 WeakPolarHBondContact O-CA 3.34Å; V47-V102 PolarHBondContact O-N 3.26Å; V47-I130 HydrophobicContact CG1-CG2 3.57Å; V47-H131 WeakPolarHBondContact CA-O 3.2Å; V47-P133 HydrophobicContact CG2-CG 4.42Å; V47-L138 HydrophobicContact CG2-CD1 4.4Å; V47-L144 HydrophobicContact CG2-CD1 3.95Å; V47-L147 HydrophobicContact CG2-CD2 3.98Å; V47-I151 HydrophobicContact CG1-CD1 4.03Å
48I98.4Very high95.9Very high31 Ų3139.3 Ų39.316%0.15923%0.226CC..EExtended strand (participates in β ladder)trans-116.2122.5-177.4-46.7170.3000109.1A41 L46 E50 V102 S104 I130 H131A41-I48 HydrophobicContact CB-CD1 4.38Å; L46-I48 HydrophobicContact CB-CG1 4.31Å; I48-E50 WeakPolarHBondContact CG2-OE1 3.21Å; I48-V102 CarbonylContact C-O 3.46Å; I48-V102 WeakPolarHBondContact CA-O 3.05Å; I48-V102 HydrophobicContact CB-CG2 4.16Å; I48-V102 HydrophobicContact CG1-CG2 3.77Å; I48-V102 HydrophobicContact CG2-CG2 4.15Å; I48-S104 VanDerWaalsContact CG2-CB 3.43Å; I48-I130 WeakPolarHBondContact O-CA 3.41Å; I48-H131 HydrophobicContact CB-CB 3.98Å; I48-H131 HydrophobicContact CD1-CB 4.4Å; I48-H131 HydrophobicContact CG1-CB 4.44Å; I48-H131 PolarHBondContact N-O 3.4Å; I48-H131 PolarHBondContact O-N 2.89Å
49L98.7Very high95.8Very high0 Ų039 Ų390%023%0.231CC..EExtended strand (participates in β ladder)trans-94.1111.2176.1-51.2-176.1000109.4V47 M87 I90 V101 V102 H103 S104 I130 I151 M155V47-L49 HydrophobicContact CG1-CD2 4.22Å; L49-M87 HydrophobicContact CB-CB 3.86Å; L49-M87 HydrophobicContact CB-CG 4.2Å; L49-M87 HydrophobicContact CB-SD 4.09Å; L49-I90 HydrophobicContact CD1-CB 3.88Å; L49-I90 HydrophobicContact CD1-CG2 3.65Å; L49-V101 HydrophobicContact CD1-CG1 3.86Å; L49-V101 HydrophobicContact CD2-CG1 4.36Å; L49-V101 HydrophobicContact CG-CG1 3.89Å; L49-V102 PolarHBondContact N-O 3.31Å; L49-H103 WeakPolarHBondContact O-CA 3.12Å; L49-S104 PolarHBondContact O-N 2.95Å; L49-I130 HydrophobicContact CD2-CD1 4.42Å; L49-I130 HydrophobicContact CD2-CG1 3.99Å; L49-I130 HydrophobicContact CD2-CG2 4.07Å; L49-I151 HydrophobicContact CD2-CD1 4.33Å; L49-I151 HydrophobicContact CD2-CG2 3.93Å; L49-M155 HydrophobicContact CD2-CE 4.21Å
50E98.6Very high95.8Very high4 Ų442 Ų422%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-87118.4-175.8-58.2-65.3168.500111.2I48 S104 D106 A107 Y116 F129 H131I48-E50 WeakPolarHBondContact CG2-OE1 3.21Å; E50-S104 WeakPolarHBondContact OE2-CB 3.2Å; E50-S104 PolarHBondContact OE2-OG 2.99Å; E50-D106 PolarHBondContact OE2-N 3.46Å; E50-A107 HydrophobicContact CB-CB 4.05Å; E50-A107 HydrophobicContact CG-CB 3.72Å; E50-A107 PolarHBondContact OE2-N 3.07Å; E50-Y116 HydrophobicContact CB-CD1 4.45Å; E50-Y116 HydrophobicContact CB-CE1 3.95Å; E50-Y116 PolarHBondContact O-OH 2.86Å; E50-F129 HydrophobicContact CB-CB 4.12Å; E50-F129 HydrophobicContact CG-CB 4.35Å; E50-F129 HydrophobicContact CG-CD1 3.94Å; E50-F129 PolarHBondContact N-O 2.84Å; E50-H131 IonicContact OE1-CE1 3.97Å; E50-H131 IonicContact OE1-CG 2.68Å; E50-H131 IonicContact OE1-ND1 3.67Å; E50-H131 PolarHBondContact OE1-ND1 3.25Å
51Q98.7Very high95.9Very high16 Ų1645.1 Ų45.18%0.07525%0.252CS..  trans-77.8-34179.8-175.964.26600112.8D82 S83 V85 M87 S104 R105 Y116Q51-D82 VanDerWaalsContact O-CA 3.31Å; Q51-D82 WeakPolarHBondContact O-CA 3.39Å; Q51-S83 PolarHBondContact NE2-O 2.9Å; Q51-S83 PolarHBondContact O-N 3.39Å; Q51-V85 PolarHBondContact NE2-O 3.01Å; Q51-V85 PolarHBondContact OE1-O 3.3Å; Q51-M87 HydrophobicContact CB-CB 4.43Å; Q51-M87 HydrophobicContact CB-CG 4.4Å; Q51-S104 WeakPolarHBondContact CB-O 3.42Å; Q51-S104 PolarHBondContact N-O 3.27Å; Q51-R105 HydrophobicContact CB-CG 4.03Å; Q51-R105 HydrophobicContact CG-CG 4.48Å; Q51-Y116 PolarHBondContact O-OH 3.47Å
52T98.7Very high96.2Very high5 Ų544.8 Ų44.83%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-130.4125.7-163.2-52.40000110.5K80 L81 D82T52-K80 HydrophobicContact CG2-CB 3.86Å; T52-K80 HydrophobicContact CG2-CD 4.39Å; T52-K80 HydrophobicContact CG2-CG 4.49Å; T52-L81 WeakPolarHBondContact CA-O 3.45Å; T52-D82 VanDerWaalsContact CB-OD1 3.29Å; T52-D82 WeakPolarHBondContact CB-OD1 3.39Å; T52-D82 VanDerWaalsContact CG2-OD1 3.26Å; T52-D82 WeakPolarHBondContact CG2-OD1 3.45Å; T52-D82 PolarHBondContact OG1-OD1 2.83Å
53G98.6Very high96.6Very high0 Ų038.6 Ų38.60%024%0.237CC..EExtended strand (participates in β ladder)trans-94.9149.316400000110.6K80 L81 D113G53-K80 VanDerWaalsContact O-CA 3.28Å; G53-K80 WeakPolarHBondContact O-CA 3.29Å; G53-L81 PolarHBondContact N-O 3.08Å; G53-L81 PolarHBondContact O-N 3.05Å; G53-D113 WeakPolarHBondContact CA-OD1 3.14Å
54K98.5Very high96.9Very high39 Ų3938.4 Ų38.417%0.1722%0.224CC..EExtended strand (participates in β ladder)trans-116151-179.4-69.1165.1-175.21770110.8Y58 K80 D106 D113 Y117K54-Y58 PolarHBondContact O-OH 3.39Å; K54-K80 HydrophobicContact CG-CB 4.39Å; K54-D106 IonicContact NZ-OD1 2.86Å; K54-D106 PolarHBondContact NZ-OD1 3.01Å; K54-D106 VanDerWaalsContact NZ-OD1 3.13Å; K54-D106 IonicContact NZ-OD2 2.76Å; K54-D106 PolarHBondContact NZ-OD2 2.76Å; K54-D113 PolarHBondContact N-OD1 2.99Å; K54-D113 PolarHBondContact N-OD2 3.41Å; K54-Y117 WeakPolarHBondContact O-CB 3.32Å; K54-Y117 WeakPolarHBondContact O-CD2 3.43Å; K54-Y117 VanDerWaalsContact O-CG 3.29Å
55N98.4Very high97.1Very high0 Ų041 Ų410%024%0.242CC..SBendtrans-93.9-10.1-175.9-165.622.3000113.5R72 C73 I74 G77 P78 E79 Y117N55-R72 CarbonylContact O-C 3.55Å; N55-R72 WeakPolarHBondContact O-CA 3.37Å; N55-R72 WeakPolarHBondContact O-CB 3.5Å; N55-C73 PolarHBondContact O-N 3.41Å; N55-C73 WeakPolarHBondContact OD1-CB 3.44Å; N55-C73 PolarHBondContact OD1-N 3.28Å; N55-I74 PolarHBondContact ND2-O 3.28Å; N55-I74 PolarHBondContact OD1-N 2.93Å; N55-I74 PolarHBondContact OD1-O 3.48Å; N55-G77 PolarHBondContact ND2-O 3.27Å; N55-P78 WeakPolarHBondContact CB-O 3.47Å; N55-E79 PolarHBondContact N-O 2.78Å; N55-Y117 HydrophobicContact CB-CD1 4.45Å; N55-Y117 HydrophobicContact CB-CD2 4.18Å; N55-Y117 HydrophobicContact CB-CE1 3.86Å; N55-Y117 HydrophobicContact CB-CE2 3.53Å; N55-Y117 VanDerWaalsContact CG-OH 3.29Å; N55-Y117 PolarHBondContact ND2-OH 2.87Å; N55-Y117 WeakPolarHBondContact OD1-CE1 3.4Å
56S97.6Very high97.2Very high41 Ų4145 Ų4529%0.28725%0.253SS..BIsolated β-bridgetrans-144.3159.7-16863.80000113.7H71 R109S56-H71 CarbonylContact C-O 3.58Å; S56-H71 WeakPolarHBondContact CA-O 3.31Å; S56-R109 VanDerWaalsContact O-CD 3.25Å; S56-R109 WeakPolarHBondContact O-CD 3.45Å; S56-R109 PolarHBondContact O-NE 2.85Å
57G96.4Very high97.1Very high35 Ų3544.5 Ų44.536%0.36125%0.254SS..  trans103.715.5178.100000113.6S59 H71 R109G57-S59 PolarHBondContact O-N 3.38Å; G57-S59 VanDerWaalsContact O-N 3.08Å; G57-H71 PolarHBondContact N-O 3.49Å; G57-R109 WeakPolarHBondContact O-CB 3.28Å
58Y97.1Very high96.9Very high0 Ų045.2 Ų45.20%026%0.259CS..  trans-78.785.7178.4-55.2-66.2000111.6Y16 K54 P68 H71 C73 R109 D113 F114Y16-Y58 HydrophobicContact CE1-CD1 4.25Å; Y16-Y58 HydrophobicContact CE1-CG 4.32Å; K54-Y58 PolarHBondContact O-OH 3.39Å; Y58-P68 HydrophobicContact CD2-CG 4.34Å; Y58-P68 HydrophobicContact CG-CG 4.29Å; Y58-H71 WeakPolarHBondContact CD2-O 3.26Å; Y58-H71 PolarHBondContact N-O 3.27Å; Y58-H71 VanDerWaalsContact N-O 3.17Å; Y58-H71 WeakPolarHBondContact O-CB 3.28Å; Y58-H71 PolarHBondContact O-ND1 2.97Å; Y58-C73 HydrophobicContact CE2-CB 3.97Å; Y58-R109 HydrophobicContact CD1-CB 4.46Å; Y58-D113 HydrophobicContact CE1-CB 4.37Å; Y58-D113 WeakPolarHBondContact CE1-OD2 3.3Å; Y58-D113 PolarHBondContact OH-OD2 3.23Å; Y58-F114 HydrophobicContact CD1-CB 4.41Å; Y58-F114 HydrophobicContact CD1-CD2 4.33Å; Y58-F114 AromaticContact CD2-CD2 3.88Å; Y58-F114 HydrophobicContact CD2-CD2 3.88Å; Y58-F114 HydrophobicContact CD2-CE2 4.44Å; Y58-F114 HydrophobicContact CE1-CB 3.84Å; Y58-F114 HydrophobicContact CE1-CD2 4.21Å; Y58-F114 AromaticContact CE2-CD2 3.7Å; Y58-F114 HydrophobicContact CE2-CD2 3.7Å; Y58-F114 HydrophobicContact CE2-CE2 4.46Å; Y58-F114 HydrophobicContact CG-CD2 4.17Å; Y58-F114 AromaticContact CZ-CD2 3.87Å; Y58-F114 WeakPolarHBondContact OH-CA 3.5Å; Y58-F114 PolarHBondContact OH-N 3.09Å
59S95.9Very high96.6Very high85 Ų8549.5 Ų49.559%0.59429%0.286SS*.  trans-101.5-15.9178.557.30000113.9G57 C67G57-S59 PolarHBondContact O-N 3.38Å; G57-S59 VanDerWaalsContact O-N 3.08Å; S59-C67 PolarHBondContact O-SG 3.27Å
60T96.6Very high96.4Very high76 Ų7655.1 Ų55.147%0.46632%0.316SS..SBendtrans-78.5125.7178.3-55.70000110.5Y16 Y110Y16-T60 WeakPolarHBondContact CE2-O 3.27Å; Y16-T60 PolarHBondContact OH-O 2.87Å; T60-Y110 HydrophobicContact CG2-CD2 3.76Å; T60-Y110 HydrophobicContact CG2-CE2 3.79Å
61R97.2Very high96.3Very high171 Ų17159.5 Ų59.565%0.64534%0.337SS*.  trans-65.4141.1176.3-69-180-176.6-136.48.9111.4S65 F66R61-S65 WeakPolarHBondContact CD-O 3.34Å; R61-S65 PolarHBondContact NH1-O 3.22Å; R61-F66 CarbonylContact C-O 3.6Å; R61-F66 WeakPolarHBondContact CA-O 3.38Å
62D97.1Very high96.2Very high8 Ų863.5 Ų63.54%0.04335%0.351CS..  trans-77.1-177.1172.973.18.2000112.5V14 S15 Y16 C64 S65 F66 Y110 L111V14-D62 WeakPolarHBondContact O-CB 3.48Å; S15-D62 VanDerWaalsContact CA-OD2 3.24Å; S15-D62 WeakPolarHBondContact CA-OD2 3.48Å; S15-D62 PolarHBondContact OG-OD2 3.44Å; Y16-D62 HydrophobicContact CD2-CB 3.64Å; Y16-D62 HydrophobicContact CE2-CB 3.8Å; Y16-D62 PolarHBondContact N-OD2 3.05Å; D62-C64 PolarHBondContact O-N 3.13Å; D62-C64 VanDerWaalsContact O-N 3.15Å; D62-C64 VanDerWaalsContact OD1-C 3.28Å; D62-C64 VanDerWaalsContact OD1-CA 3.28Å; D62-C64 WeakPolarHBondContact OD1-CA 3.26Å; D62-C64 WeakPolarHBondContact OD1-CB 3.29Å; D62-C64 PolarHBondContact OD1-N 3.08Å; D62-S65 WeakPolarHBondContact O-CA 3.36Å; D62-S65 PolarHBondContact O-N 3.47Å; D62-S65 PolarHBondContact OD1-N 3.4Å; D62-S65 VanDerWaalsContact OD1-N 3.14Å; D62-F66 PolarHBondContact N-O 3.47Å; D62-F66 PolarHBondContact OD1-N 2.86Å; D62-Y110 WeakPolarHBondContact CA-OH 3.36Å; D62-L111 HydrophobicContact CB-CD2 4.25Å
63V95.8Very high96.1Very high105 Ų10563.4 Ų63.464%0.63635%0.35SS*.THydrogen-bonded Turntrans-66.5-15-179.7-55.70000113.3V14 S65V14-V63 HydrophobicContact CB-CG1 3.85Å; V14-V63 HydrophobicContact CG1-CG1 4.02Å; V14-V63 VanDerWaalsContact O-CG2 3.24Å; V14-V63 WeakPolarHBondContact O-CG2 3.4Å; V14-V63 PolarHBondContact O-N 3.36Å; V63-S65 VanDerWaalsContact C-N 3.32Å
64C94.5Very high96.1Very high64 Ų6464.1 Ų64.143%0.43235%0.354SS..THydrogen-bonded Turntrans-959.9173.5-60.20000111.8D62 F66D62-C64 PolarHBondContact O-N 3.13Å; D62-C64 VanDerWaalsContact O-N 3.15Å; D62-C64 VanDerWaalsContact OD1-C 3.28Å; D62-C64 VanDerWaalsContact OD1-CA 3.28Å; D62-C64 WeakPolarHBondContact OD1-CA 3.26Å; D62-C64 WeakPolarHBondContact OD1-CB 3.29Å; D62-C64 PolarHBondContact OD1-N 3.08Å; C64-F66 VanDerWaalsContact C-N 3.27Å; C64-F66 HydrophobicContact CB-CD2 3.63Å; C64-F66 HydrophobicContact CB-CE2 4.09Å; C64-F66 WeakPolarHBondContact O-CD2 3.35Å; C64-F66 VanDerWaalsContact O-CE2 3.3Å; C64-F66 WeakPolarHBondContact O-CE2 3.37Å; C64-F66 PolarHBondContact O-N 2.98Å
65S95.8Very high95.9Very high74 Ų7470.6 Ų70.652%0.51739%0.385SS..SBendtrans64.522.4-178.4-60.20000115.2R61 D62 V63R61-S65 WeakPolarHBondContact CD-O 3.34Å; R61-S65 PolarHBondContact NH1-O 3.22Å; D62-S65 WeakPolarHBondContact O-CA 3.36Å; D62-S65 PolarHBondContact O-N 3.47Å; D62-S65 PolarHBondContact OD1-N 3.4Å; D62-S65 VanDerWaalsContact OD1-N 3.14Å; V63-S65 VanDerWaalsContact C-N 3.32Å
66F94.1Very high95.8Very high137 Ų13774.3 Ų74.360%0.60142%0.423SS*.  trans-106.6153179.2-67.7-72000113Y16 R61 D62 C64Y16-F66 WeakPolarHBondContact CD2-O 3.38Å; Y16-F66 WeakPolarHBondContact CE2-O 3.42Å; R61-F66 CarbonylContact C-O 3.6Å; R61-F66 WeakPolarHBondContact CA-O 3.38Å; D62-F66 PolarHBondContact N-O 3.47Å; D62-F66 PolarHBondContact OD1-N 2.86Å; C64-F66 VanDerWaalsContact C-N 3.27Å; C64-F66 HydrophobicContact CB-CD2 3.63Å; C64-F66 HydrophobicContact CB-CE2 4.09Å; C64-F66 WeakPolarHBondContact O-CD2 3.35Å; C64-F66 VanDerWaalsContact O-CE2 3.3Å; C64-F66 WeakPolarHBondContact O-CE2 3.37Å; C64-F66 PolarHBondContact O-N 2.98Å
67C93.7Very high95.7Very high43 Ų4372.7 Ų72.729%0.29141%0.413SS..  trans-117.3156.8164.5-63.90000109.1S59S59-C67 PolarHBondContact O-SG 3.27Å
68P94.4Very high95.8Very high16 Ų1674.2 Ų74.210%0.10442%0.417CS..  trans-62.9148.9172.4-18.332.7000111.3Y16 Y58 D70 H71 R72 F114Y16-P68 HydrophobicContact CD1-CG 3.46Å; Y16-P68 VanDerWaalsContact CD1-CG 3.46Å; Y16-P68 HydrophobicContact CD2-CG 3.97Å; Y16-P68 HydrophobicContact CE1-CG 3.65Å; Y16-P68 HydrophobicContact CE2-CG 4.18Å; Y16-P68 HydrophobicContact CG-CG 3.6Å; Y58-P68 HydrophobicContact CD2-CG 4.34Å; Y58-P68 HydrophobicContact CG-CG 4.29Å; P68-D70 PolarHBondContact O-N 3.24Å; P68-H71 PolarHBondContact O-N 2.9Å; P68-H71 VanDerWaalsContact O-N 3.08Å; P68-R72 WeakPolarHBondContact CB-O 3.49Å; P68-F114 HydrophobicContact CB-CE2 4.02Å; P68-F114 HydrophobicContact CG-CD2 4.03Å; P68-F114 HydrophobicContact CG-CE2 3.52Å; P68-F114 HydrophobicContact CG-CZ 4.41Å
69T91.8Very high95.9Very high120 Ų12081.2 Ų81.274%0.73645%0.449SS*.G310 helixtrans-55.1137171.8-50.70000110.2H71 R72T69-H71 PolarHBondContact O-N 3.25Å; T69-R72 PolarHBondContact O-N 2.9Å
70D94.2Very high96Very high119 Ų11983.6 Ų83.664%0.63645%0.449SS*.G310 helixtrans52.120-176.5-57.7-31.9000115P68 R72P68-D70 PolarHBondContact O-N 3.24Å; D70-R72 PolarHBondContact O-N 3.09Å
71H96.4Very high96.1Very high96 Ų9681 Ų8144%0.44443%0.433SS..G310 helixtrans57.233.1-175.5-52.6-68.4000113.3S56 G57 Y58 P68 T69S56-H71 CarbonylContact C-O 3.58Å; S56-H71 WeakPolarHBondContact CA-O 3.31Å; G57-H71 PolarHBondContact N-O 3.49Å; Y58-H71 WeakPolarHBondContact CD2-O 3.26Å; Y58-H71 PolarHBondContact N-O 3.27Å; Y58-H71 VanDerWaalsContact N-O 3.17Å; Y58-H71 WeakPolarHBondContact O-CB 3.28Å; Y58-H71 PolarHBondContact O-ND1 2.97Å; P68-H71 PolarHBondContact O-N 2.9Å; P68-H71 VanDerWaalsContact O-N 3.08Å; T69-H71 PolarHBondContact O-N 3.25Å
72R97.3Very high96.2Very high99 Ų9974.6 Ų74.637%0.37441%0.411SS..BIsolated β-bridgetrans-119.7152.3-176.6-71.7174.5-178.2-100.11.1114.6N55 P68 T69 D70N55-R72 CarbonylContact O-C 3.55Å; N55-R72 WeakPolarHBondContact O-CA 3.37Å; N55-R72 WeakPolarHBondContact O-CB 3.5Å; P68-R72 WeakPolarHBondContact CB-O 3.49Å; T69-R72 PolarHBondContact O-N 2.9Å; D70-R72 PolarHBondContact O-N 3.09Å
73C97.1Very high96.2Very high3 Ų374.5 Ų74.52%0.0241%0.411CS..SBendtrans-76.1-53.9173.1-147.20000110.8N55 Y58 F114 Y117 C118N55-C73 PolarHBondContact O-N 3.41Å; N55-C73 WeakPolarHBondContact OD1-CB 3.44Å; N55-C73 PolarHBondContact OD1-N 3.28Å; Y58-C73 HydrophobicContact CE2-CB 3.97Å; C73-F114 VanDerWaalsContact CA-CE2 3.44Å; C73-F114 HydrophobicContact CB-CD2 3.89Å; C73-F114 HydrophobicContact CB-CE2 3.84Å; C73-F114 HydrophobicContact CB-CZ 4.38Å; C73-F114 WeakPolarHBondContact SG-CD2 3.27Å; C73-F114 VanDerWaalsContact SG-CE2 3.54Å; C73-F114 WeakPolarHBondContact SG-CG 3.46Å; C73-F114 PolarHBondContact SG-O 3.27Å; C73-Y117 HydrophobicContact CB-CD1 3.4Å; C73-Y117 HydrophobicContact CB-CE1 3.89Å; C73-Y117 HydrophobicContact CB-CG 4.29Å; C73-C118 WeakPolarHBondContact CB-SG 3.37Å; C73-C118 WeakPolarHBondContact SG-CB 3.42Å; C73-C118 CovalentContact SG-SG 2.1Å; C73-C118 PolarHBondContact SG-SG 2.9Å
74I97.2Very high96.4Very high15 Ų1572.2 Ų72.28%0.07740%0.397CS..SBendtrans-129.1120.4-175.6-57.5-66.1000108.7N55 G76 G77 Y117 Y121N55-I74 PolarHBondContact ND2-O 3.28Å; N55-I74 PolarHBondContact OD1-N 2.93Å; N55-I74 PolarHBondContact OD1-O 3.48Å; I74-G76 PolarHBondContact O-N 3.41Å; I74-G77 PolarHBondContact O-N 2.99Å; I74-G77 VanDerWaalsContact O-N 3.09Å; I74-Y117 HydrophobicContact CB-CE1 4.06Å; I74-Y117 HydrophobicContact CG1-CD1 4.34Å; I74-Y117 HydrophobicContact CG1-CE1 3.78Å; I74-Y121 HydrophobicContact CD1-CD1 4.31Å; I74-Y121 HydrophobicContact CG1-CD1 4.07Å; I74-Y121 HydrophobicContact CG1-CD2 4.48Å; I74-Y121 HydrophobicContact CG1-CG 4.04Å; I74-Y121 HydrophobicContact CG2-CD1 4.2Å; I74-Y121 HydrophobicContact CG2-CD2 4.26Å; I74-Y121 HydrophobicContact CG2-CE1 3.86Å; I74-Y121 HydrophobicContact CG2-CE2 3.92Å; I74-Y121 HydrophobicContact CG2-CG 4.39Å
75E95.8Very high96.5Very high175 Ų17569.2 Ų69.282%0.81838%0.376SS*.THydrogen-bonded Turntrans-60.1132.7172.9-170.5176.9-174.800110.5G77E75-G77 PolarHBondContact O-N 3.09Å; E75-G77 VanDerWaalsContact O-N 3.08Å
76G95.4Very high96.7Very high78 Ų7869.5 Ų69.580%0.80437%0.372SS*.THydrogen-bonded Turntrans68.1-0.2-175.100000115.6I74I74-G76 PolarHBondContact O-N 3.41Å
77G96.8Very high96.9Very high8 Ų863 Ų638%0.08234%0.344CS..  trans-70.8154.5177.400000113.4N55 I74 E75N55-G77 PolarHBondContact ND2-O 3.27Å; I74-G77 PolarHBondContact O-N 2.99Å; I74-G77 VanDerWaalsContact O-N 3.09Å; E75-G77 PolarHBondContact O-N 3.09Å; E75-G77 VanDerWaalsContact O-N 3.08Å
78P98.3Very high97.1Very high66 Ų6667.8 Ų67.843%0.42936%0.356SS..  trans-54.5148.3176.2-2635.7000112.7N55 K80 L81 Y117N55-P78 WeakPolarHBondContact CB-O 3.47Å; P78-K80 PolarHBondContact O-N 3.13Å; P78-K80 VanDerWaalsContact O-N 3.12Å; P78-L81 HydrophobicContact CB-CD2 4.17Å; P78-L81 HydrophobicContact CB-CG 4.49Å; P78-L81 HydrophobicContact CG-CD2 4.09Å; P78-Y117 WeakPolarHBondContact CD-OH 3.28Å; P78-Y117 WeakPolarHBondContact O-CE2 3.38Å; P78-Y117 PolarHBondContact O-OH 2.88Å
79E98.1Very high97.3Very high147 Ų14769.1 Ų69.169%0.68737%0.368SS*.SBendtrans-59.7-30.7-178.4-67.7-167.1154.200114N55N55-E79 PolarHBondContact N-O 2.78Å
80K98.4Very high97.6Very high136 Ų13663.4 Ų63.459%0.59133%0.333SS*.EExtended strand (participates in β ladder)trans-150.6152.217964.8-174.7179-1720110.4T52 G53 K54 P78T52-K80 HydrophobicContact CG2-CB 3.86Å; T52-K80 HydrophobicContact CG2-CD 4.39Å; T52-K80 HydrophobicContact CG2-CG 4.49Å; G53-K80 VanDerWaalsContact O-CA 3.28Å; G53-K80 WeakPolarHBondContact O-CA 3.29Å; K54-K80 HydrophobicContact CG-CB 4.39Å; P78-K80 PolarHBondContact O-N 3.13Å; P78-K80 VanDerWaalsContact O-N 3.12Å
81L98.8Very high97.8Very high22 Ų2258.2 Ų58.212%0.11531%0.306CS..EExtended strand (participates in β ladder)trans-131.3131.9173.8-70.1171.3000108.7T52 G53 P78 Y117 L120 Y121 R125T52-L81 WeakPolarHBondContact CA-O 3.45Å; G53-L81 PolarHBondContact N-O 3.08Å; G53-L81 PolarHBondContact O-N 3.05Å; P78-L81 HydrophobicContact CB-CD2 4.17Å; P78-L81 HydrophobicContact CB-CG 4.49Å; P78-L81 HydrophobicContact CG-CD2 4.09Å; L81-Y117 HydrophobicContact CB-CD2 4.44Å; L81-Y117 HydrophobicContact CB-CE2 4.27Å; L81-Y117 HydrophobicContact CD1-CD2 4.25Å; L81-Y117 HydrophobicContact CD1-CE2 3.7Å; L81-Y117 HydrophobicContact CG-CD2 4.41Å; L81-Y117 HydrophobicContact CG-CE2 3.79Å; L81-L120 HydrophobicContact CB-CB 3.91Å; L81-L120 HydrophobicContact CB-CD1 3.92Å; L81-L120 HydrophobicContact CD1-CB 3.92Å; L81-L120 WeakPolarHBondContact O-CD1 3.21Å; L81-Y121 HydrophobicContact CD1-CD2 4.38Å; L81-R125 HydrophobicContact CD2-CG 4.35Å
82D98.7Very high97.9Very high36 Ų3659.7 Ų59.719%0.19331%0.311CS..EExtended strand (participates in β ladder)trans-94.5139170.6-76.62.5000109Q51 T52 R105 R125Q51-D82 VanDerWaalsContact O-CA 3.31Å; Q51-D82 WeakPolarHBondContact O-CA 3.39Å; T52-D82 VanDerWaalsContact CB-OD1 3.29Å; T52-D82 WeakPolarHBondContact CB-OD1 3.39Å; T52-D82 VanDerWaalsContact CG2-OD1 3.26Å; T52-D82 WeakPolarHBondContact CG2-OD1 3.45Å; T52-D82 PolarHBondContact OG1-OD1 2.83Å; D82-R105 IonicContact OD2-CZ 3.76Å; D82-R105 IonicContact OD2-NH2 3.74Å; D82-R105 PolarHBondContact OD2-NH2 2.64Å; D82-R105 VanDerWaalsContact OD2-NH2 3.08Å; D82-R125 PolarHBondContact O-NE 3.47Å; D82-R125 PolarHBondContact O-NH2 3.08Å
83S98.6Very high97.9Very high5 Ų559.7 Ų59.74%0.03532%0.315CS..  trans-53.9149.9166.9-173.20000111.2Q51 V85 Y116 A127Q51-S83 PolarHBondContact NE2-O 2.9Å; Q51-S83 PolarHBondContact O-N 3.39Å; S83-V85 PolarHBondContact O-N 3.44Å; S83-V85 PolarHBondContact OG-N 2.92Å; S83-V85 VanDerWaalsContact OG-N 3.13Å; S83-Y116 WeakPolarHBondContact CB-OH 3.32Å; S83-A127 WeakPolarHBondContact CB-O 3.47Å; S83-A127 PolarHBondContact OG-O 3.14Å
84V98.3Very high97.9Very high57 Ų5759.7 Ų59.735%0.34532%0.315SS..SBendtrans-66.5-19.6167.2-62.50000112.4R125 R126 L159V84-R125 HydrophobicContact CG1-CB 3.77Å; V84-R125 PolarHBondContact N-O 2.97Å; V84-R125 VanDerWaalsContact N-O 3.08Å; V84-R126 HydrophobicContact CG2-CG 4.33Å; V84-L159 HydrophobicContact CG2-CD2 3.39Å
85V98.3Very high97.7Very high1 Ų166.1 Ų66.11%0.00634%0.342CS..SBendtrans-80.3135.3175.6173.90000110.2F34 Q51 S83 M87 I90 M155 L159F34-V85 HydrophobicContact CE1-CG2 4.4Å; F34-V85 HydrophobicContact CE2-CG2 3.8Å; F34-V85 HydrophobicContact CZ-CB 4.45Å; F34-V85 HydrophobicContact CZ-CG2 3.51Å; Q51-V85 PolarHBondContact NE2-O 3.01Å; Q51-V85 PolarHBondContact OE1-O 3.3Å; S83-V85 PolarHBondContact O-N 3.44Å; S83-V85 PolarHBondContact OG-N 2.92Å; S83-V85 VanDerWaalsContact OG-N 3.13Å; V85-M87 HydrophobicContact CB-CE 3.82Å; V85-M87 HydrophobicContact CB-SD 4.38Å; V85-M87 HydrophobicContact CG1-CE 3.78Å; V85-M87 HydrophobicContact CG1-SD 3.73Å; V85-M87 PolarHBondContact O-N 3.22Å; V85-I90 HydrophobicContact CG1-CD1 3.6Å; V85-M155 HydrophobicContact CG1-CB 4.26Å; V85-M155 HydrophobicContact CG1-CG 3.96Å; V85-M155 HydrophobicContact CG2-CB 4.25Å; V85-L159 HydrophobicContact CG2-CD2 4.1Å; V85-L159 HydrophobicContact CG2-CG 4.45Å
86N98.3Very high97.7Very high80 Ų8064.7 Ų64.743%0.42834%0.335SS..  trans-83.689.3172.8-173.5-20.3000110.6R88 A89 I90 Q158N86-R88 PolarHBondContact O-N 3.35Å; N86-R88 WeakPolarHBondContact OD1-CB 3.49Å; N86-R88 PolarHBondContact OD1-N 2.95Å; N86-A89 HydrophobicContact CB-CB 4.2Å; N86-A89 PolarHBondContact O-N 3.44Å; N86-A89 PolarHBondContact OD1-N 3.42Å; N86-I90 PolarHBondContact O-N 2.57Å; N86-Q158 PolarHBondContact O-NE2 3.29Å
87M98.4Very high97.7Very high0 Ų064.3 Ų64.30%033%0.325CS..Hα-helixtrans-62.8-30-179.8-60.7-5417500112.5L49 Q51 V85 I90 S91 H103 A128 M155L49-M87 HydrophobicContact CB-CB 3.86Å; L49-M87 HydrophobicContact CB-CG 4.2Å; L49-M87 HydrophobicContact CB-SD 4.09Å; Q51-M87 HydrophobicContact CB-CB 4.43Å; Q51-M87 HydrophobicContact CB-CG 4.4Å; V85-M87 HydrophobicContact CB-CE 3.82Å; V85-M87 HydrophobicContact CB-SD 4.38Å; V85-M87 HydrophobicContact CG1-CE 3.78Å; V85-M87 HydrophobicContact CG1-SD 3.73Å; V85-M87 PolarHBondContact O-N 3.22Å; M87-I90 PolarHBondContact O-N 2.89Å; M87-S91 WeakPolarHBondContact O-CB 3.34Å; M87-S91 PolarHBondContact O-N 3.25Å; M87-S91 PolarHBondContact O-OG 2.85Å; M87-H103 HydrophobicContact CB-CB 4.45Å; M87-A128 HydrophobicContact CE-CB 3.42Å; M87-A128 VanDerWaalsContact CE-CB 3.42Å; M87-M155 HydrophobicContact CE-CE 3.95Å; M87-M155 HydrophobicContact SD-CE 3.68Å
88R98.4Very high97.5Very high145 Ų14567.1 Ų67.155%0.54735%0.354SS..Hα-helixtrans-64.1-44.6177.3-179.2179.6-65.3-130.9-2.4111.2N86 S91 K92 H103N86-R88 PolarHBondContact O-N 3.35Å; N86-R88 WeakPolarHBondContact OD1-CB 3.49Å; N86-R88 PolarHBondContact OD1-N 2.95Å; R88-S91 PolarHBondContact O-N 3.35Å; R88-S91 PolarHBondContact O-OG 3.4Å; R88-K92 WeakPolarHBondContact O-CB 3.11Å; R88-K92 PolarHBondContact O-N 2.96Å; R88-H103 PolarHBondContact NH2-CE1 2.77Å; R88-H103 VanDerWaalsContact NH2-CE1 3.28Å; R88-H103 PolarHBondContact NH2-NE2 2.85Å
89A98.3Very high97.3Very high44 Ų4466.6 Ų66.636%0.36435%0.347SS..Hα-helixtrans-60.9-46.3177.600000111.8N86 K92 H93N86-A89 HydrophobicContact CB-CB 4.2Å; N86-A89 PolarHBondContact O-N 3.44Å; N86-A89 PolarHBondContact OD1-N 3.42Å; A89-K92 PolarHBondContact O-N 2.94Å; A89-H93 PolarHBondContact O-N 3.07Å; A89-H93 VanDerWaalsContact O-N 3.15Å
90I98.4Very high97.1Very high0 Ų063.7 Ų63.70%034%0.336CS..Hα-helixtrans-61.9-50.5177.9-58.2179.4000110.4L49 V85 N86 M87 K92 H93 F94 I151 M154 M155 Q158L49-I90 HydrophobicContact CD1-CB 3.88Å; L49-I90 HydrophobicContact CD1-CG2 3.65Å; V85-I90 HydrophobicContact CG1-CD1 3.6Å; N86-I90 PolarHBondContact O-N 2.57Å; M87-I90 PolarHBondContact O-N 2.89Å; I90-K92 VanDerWaalsContact C-N 3.25Å; I90-K92 PolarHBondContact O-N 2.86Å; I90-H93 WeakPolarHBondContact O-CB 3.4Å; I90-H93 PolarHBondContact O-N 3.27Å; I90-H93 VanDerWaalsContact O-N 3.16Å; I90-F94 HydrophobicContact CG2-CD2 3.92Å; I90-F94 HydrophobicContact CG2-CE2 3.75Å; I90-F94 WeakPolarHBondContact O-CD2 3.09Å; I90-F94 PolarHBondContact O-N 2.81Å; I90-I151 HydrophobicContact CG2-CG2 4.37Å; I90-M154 HydrophobicContact CD1-CB 4.27Å; I90-M154 HydrophobicContact CG1-CB 4.32Å; I90-M154 HydrophobicContact CG2-CB 4.43Å; I90-M154 HydrophobicContact CG2-SD 4.14Å; I90-M155 HydrophobicContact CD1-CB 4.35Å; I90-M155 HydrophobicContact CD1-CG 3.55Å; I90-Q158 VanDerWaalsContact CG1-NE2 3.31Å
91S98.1Very high97Very high10 Ų1057.3 Ų57.37%0.0731%0.308CS..Hα-helixtrans-59.4-36.3178.970.70000112.8M87 R88 F94 K95M87-S91 WeakPolarHBondContact O-CB 3.34Å; M87-S91 PolarHBondContact O-N 3.25Å; M87-S91 PolarHBondContact O-OG 2.85Å; R88-S91 PolarHBondContact O-N 3.35Å; R88-S91 PolarHBondContact O-OG 3.4Å; S91-F94 PolarHBondContact O-N 2.8Å; S91-K95 VanDerWaalsContact O-CB 3.24Å; S91-K95 WeakPolarHBondContact O-CB 3.33Å; S91-K95 PolarHBondContact O-N 2.92Å
92K98.1Very high97Very high126 Ų12658.6 Ų58.655%0.54832%0.317SS..Hα-helixtrans-65.3-42.1178.1-175.5-177.8175.7-172.30111.6R88 A89 I90 K95 Q96R88-K92 WeakPolarHBondContact O-CB 3.11Å; R88-K92 PolarHBondContact O-N 2.96Å; A89-K92 PolarHBondContact O-N 2.94Å; I90-K92 VanDerWaalsContact C-N 3.25Å; I90-K92 PolarHBondContact O-N 2.86Å; K92-K95 PolarHBondContact O-N 2.94Å; K92-Q96 WeakPolarHBondContact O-CB 3.38Å; K92-Q96 VanDerWaalsContact O-CG 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 3.42Å; K92-Q96 PolarHBondContact O-N 2.87Å
93H97.8Very high96.9Very high99 Ų9959.5 Ų59.546%0.45832%0.32SS..Hα-helixtrans-56.3-52.8176176.385.4000111.3A89 I90 K95 Q96 A97 M154A89-H93 PolarHBondContact O-N 3.07Å; A89-H93 VanDerWaalsContact O-N 3.15Å; I90-H93 WeakPolarHBondContact O-CB 3.4Å; I90-H93 PolarHBondContact O-N 3.27Å; I90-H93 VanDerWaalsContact O-N 3.16Å; H93-K95 PolarHBondContact O-N 3.41Å; H93-Q96 PolarHBondContact O-N 3.45Å; H93-A97 PolarHBondContact O-N 3.03Å; H93-M154 HydrophobicContact CB-CE 3.84Å
94F96.8Very high96.9Very high3 Ų360.7 Ų60.71%0.01333%0.328CS..Hα-helixtrans-67.4-37.5179.6-75.2-69.6000113.3I90 S91 Q96 A97 G98 M99 V101 L147 E150 I151 M154I90-F94 HydrophobicContact CG2-CD2 3.92Å; I90-F94 HydrophobicContact CG2-CE2 3.75Å; I90-F94 WeakPolarHBondContact O-CD2 3.09Å; I90-F94 PolarHBondContact O-N 2.81Å; S91-F94 PolarHBondContact O-N 2.8Å; F94-Q96 VanDerWaalsContact C-N 3.29Å; F94-Q96 PolarHBondContact O-N 3.41Å; F94-A97 CarbonylContact O-C 3.47Å; F94-A97 WeakPolarHBondContact O-CA 3.43Å; F94-A97 WeakPolarHBondContact O-CB 3.28Å; F94-A97 PolarHBondContact O-N 3.49Å; F94-A97 VanDerWaalsContact O-N 3.09Å; F94-G98 PolarHBondContact O-N 2.83Å; F94-M99 HydrophobicContact CB-CB 4.25Å; F94-M99 HydrophobicContact CD1-SD 3.6Å; F94-M99 VanDerWaalsContact CD1-SD 3.6Å; F94-M99 HydrophobicContact CE1-SD 4.16Å; F94-M99 WeakPolarHBondContact O-CB 3.49Å; F94-M99 PolarHBondContact O-N 3.33Å; F94-V101 HydrophobicContact CB-CB 3.68Å; F94-V101 HydrophobicContact CB-CG1 4.3Å; F94-V101 HydrophobicContact CB-CG2 3.69Å; F94-V101 HydrophobicContact CD2-CG1 4.42Å; F94-V101 HydrophobicContact CD2-CG2 4.48Å; F94-V101 HydrophobicContact CG-CB 4.34Å; F94-V101 HydrophobicContact CG-CG2 4Å; F94-L147 HydrophobicContact CD1-CD1 3.7Å; F94-L147 HydrophobicContact CE1-CD1 3.52Å; F94-L147 HydrophobicContact CG-CD1 4.36Å; F94-L147 HydrophobicContact CZ-CD1 4.06Å; F94-E150 HydrophobicContact CE1-CB 4.3Å; F94-E150 HydrophobicContact CZ-CB 3.9Å; F94-I151 HydrophobicContact CD2-CG1 4.01Å; F94-I151 HydrophobicContact CE2-CB 4.34Å; F94-I151 HydrophobicContact CE2-CD1 4.45Å; F94-I151 HydrophobicContact CE2-CG1 3.37Å; F94-I151 HydrophobicContact CZ-CG1 3.7Å; F94-M154 HydrophobicContact CD2-SD 4.37Å; F94-M154 HydrophobicContact CE2-SD 3.5Å; F94-M154 WeakPolarHBondContact CE2-SD 3.37Å; F94-M154 HydrophobicContact CZ-SD 3.85Å
95K94.7Very high96.9Very high151 Ų15164.5 Ų64.566%0.65734%0.336SS*.Hα-helixtrans-62.4-37.6175.2-173.2173.5-175.91760112S91 K92 H93 A97 G98S91-K95 VanDerWaalsContact O-CB 3.24Å; S91-K95 WeakPolarHBondContact O-CB 3.33Å; S91-K95 PolarHBondContact O-N 2.92Å; K92-K95 PolarHBondContact O-N 2.94Å; H93-K95 PolarHBondContact O-N 3.41Å; K95-A97 VanDerWaalsContact C-N 3.27Å; K95-A97 PolarHBondContact O-N 3.46Å; K95-G98 PolarHBondContact O-N 3.12Å; K95-G98 VanDerWaalsContact O-N 3.09Å
96Q95.4Very high96.7Very high144 Ų14467.7 Ų67.767%0.67335%0.353SS*.Hα-helixtrans-67.7-28.7174.7-73.5172.3-29.600112.5K92 H93 F94 G98K92-Q96 WeakPolarHBondContact O-CB 3.38Å; K92-Q96 VanDerWaalsContact O-CG 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 3.42Å; K92-Q96 PolarHBondContact O-N 2.87Å; H93-Q96 PolarHBondContact O-N 3.45Å; F94-Q96 VanDerWaalsContact C-N 3.29Å; F94-Q96 PolarHBondContact O-N 3.41Å; Q96-G98 PolarHBondContact O-N 2.85Å
97A94.1Very high96.6Very high70 Ų7064.1 Ų64.158%0.57934%0.335SS*.THydrogen-bonded Turntrans-80.56.117100000113.7H93 F94 K95 M99H93-A97 PolarHBondContact O-N 3.03Å; F94-A97 CarbonylContact O-C 3.47Å; F94-A97 WeakPolarHBondContact O-CA 3.43Å; F94-A97 WeakPolarHBondContact O-CB 3.28Å; F94-A97 PolarHBondContact O-N 3.49Å; F94-A97 VanDerWaalsContact O-N 3.09Å; K95-A97 VanDerWaalsContact C-N 3.27Å; K95-A97 PolarHBondContact O-N 3.46Å; A97-M99 HydrophobicContact CB-CG 4.48Å
98G93.4Very high96.4Very high68 Ų6865.6 Ų65.670%0.70135%0.35SS*.THydrogen-bonded Turntrans7619.2178.700000114.6F94 K95 Q96F94-G98 PolarHBondContact O-N 2.83Å; K95-G98 PolarHBondContact O-N 3.12Å; K95-G98 VanDerWaalsContact O-N 3.09Å; Q96-G98 PolarHBondContact O-N 2.85Å
99M93.1Very high96.2Very high55 Ų5562.7 Ų62.727%0.27134%0.339SS..  trans-96.5144.9178.9-55.7-174.284.300111.7F94 A97 V101 L147F94-M99 HydrophobicContact CB-CB 4.25Å; F94-M99 HydrophobicContact CD1-SD 3.6Å; F94-M99 VanDerWaalsContact CD1-SD 3.6Å; F94-M99 HydrophobicContact CE1-SD 4.16Å; F94-M99 WeakPolarHBondContact O-CB 3.49Å; F94-M99 PolarHBondContact O-N 3.33Å; A97-M99 HydrophobicContact CB-CG 4.48Å; M99-V101 HydrophobicContact CB-CG2 4.28Å; M99-V101 PolarHBondContact O-N 3.09Å; M99-L147 HydrophobicContact CE-CB 4.4Å; M99-L147 HydrophobicContact CE-CD1 3.67Å; M99-L147 HydrophobicContact CE-CD2 4.07Å; M99-L147 HydrophobicContact CE-CG 4.26Å; M99-L147 HydrophobicContact SD-CD1 4.06Å
100D94.3Very high96.1Very high86 Ų8664 Ų6446%0.4634%0.335SS..  trans-78.558.2-179.1-69.8-39.1000112.5L46 V47 L138L46-D100 HydrophobicContact CD2-CB 3.69Å; V47-D100 PolarHBondContact N-O 3.25Å; D100-L138 HydrophobicContact CB-CD1 3.72Å
101V97.6Very high96Very high1 Ų164.7 Ų64.71%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-112.1124.2175.6-174.30000109.1V47 L49 F94 M99 L147 I151V47-V101 HydrophobicContact CB-CG2 4.26Å; V47-V101 HydrophobicContact CG1-CG1 4.36Å; V47-V101 WeakPolarHBondContact O-CA 3.34Å; L49-V101 HydrophobicContact CD1-CG1 3.86Å; L49-V101 HydrophobicContact CD2-CG1 4.36Å; L49-V101 HydrophobicContact CG-CG1 3.89Å; F94-V101 HydrophobicContact CB-CB 3.68Å; F94-V101 HydrophobicContact CB-CG1 4.3Å; F94-V101 HydrophobicContact CB-CG2 3.69Å; F94-V101 HydrophobicContact CD2-CG1 4.42Å; F94-V101 HydrophobicContact CD2-CG2 4.48Å; F94-V101 HydrophobicContact CG-CB 4.34Å; F94-V101 HydrophobicContact CG-CG2 4Å; M99-V101 HydrophobicContact CB-CG2 4.28Å; M99-V101 PolarHBondContact O-N 3.09Å; V101-L147 HydrophobicContact CG2-CD1 4.08Å; V101-L147 HydrophobicContact CG2-CD2 4.02Å; V101-I151 HydrophobicContact CG1-CD1 4.38Å; V101-I151 HydrophobicContact CG2-CD1 4.43Å
102V97.7Very high96Very high49 Ų4965.9 Ų65.930%0.29735%0.346SS..EExtended strand (participates in β ladder)trans-127.1155.9-178-61.30000111L46 V47 I48 L49L46-V102 HydrophobicContact CB-CG2 4.32Å; L46-V102 HydrophobicContact CD1-CG1 4.24Å; L46-V102 HydrophobicContact CD1-CG2 4.08Å; V47-V102 PolarHBondContact O-N 3.26Å; I48-V102 CarbonylContact C-O 3.46Å; I48-V102 WeakPolarHBondContact CA-O 3.05Å; I48-V102 HydrophobicContact CB-CG2 4.16Å; I48-V102 HydrophobicContact CG1-CG2 3.77Å; I48-V102 HydrophobicContact CG2-CG2 4.15Å; L49-V102 PolarHBondContact N-O 3.31Å
103H97.2Very high96Very high56 Ų5659.9 Ų59.926%0.25932%0.32SS..EExtended strand (participates in β ladder)trans-97.3150.2169.198.5-59.2000111.1L49 M87 R88L49-H103 WeakPolarHBondContact O-CA 3.12Å; M87-H103 HydrophobicContact CB-CB 4.45Å; R88-H103 PolarHBondContact NH2-CE1 2.77Å; R88-H103 VanDerWaalsContact NH2-CE1 3.28Å; R88-H103 PolarHBondContact NH2-NE2 2.85Å
104S97.9Very high96Very high30 Ų3055.1 Ų55.121%0.2130%0.298CS..EExtended strand (participates in β ladder)trans-134.7160171.8169.50000110.2I48 L49 E50 Q51 D106I48-S104 VanDerWaalsContact CG2-CB 3.43Å; L49-S104 PolarHBondContact O-N 2.95Å; E50-S104 WeakPolarHBondContact OE2-CB 3.2Å; E50-S104 PolarHBondContact OE2-OG 2.99Å; Q51-S104 WeakPolarHBondContact CB-O 3.42Å; Q51-S104 PolarHBondContact N-O 3.27Å; S104-D106 PolarHBondContact OG-N 3.42Å; S104-D106 VanDerWaalsContact OG-N 3.07Å; S104-D106 PolarHBondContact OG-O 3.31Å
105R97.9Very high96.1Very high136 Ų13655.3 Ų55.351%0.51330%0.301SS..SBendtrans-116.719.3172.9-74.8-171143.6-149.5-15.3111.4Q51 D82Q51-R105 HydrophobicContact CB-CG 4.03Å; Q51-R105 HydrophobicContact CG-CG 4.48Å; D82-R105 IonicContact OD2-CZ 3.76Å; D82-R105 IonicContact OD2-NH2 3.74Å; D82-R105 PolarHBondContact OD2-NH2 2.64Å; D82-R105 VanDerWaalsContact OD2-NH2 3.08Å
106D95.6Very high96.3Very high69 Ų6948.1 Ų48.137%0.36927%0.269SS..  trans-149.398.8-176.7-163.1-10.6000110.9E50 K54 S104 G108 R109E50-D106 PolarHBondContact OE2-N 3.46Å; K54-D106 IonicContact NZ-OD1 2.86Å; K54-D106 PolarHBondContact NZ-OD1 3.01Å; K54-D106 VanDerWaalsContact NZ-OD1 3.13Å; K54-D106 IonicContact NZ-OD2 2.76Å; K54-D106 PolarHBondContact NZ-OD2 2.76Å; S104-D106 PolarHBondContact OG-N 3.42Å; S104-D106 VanDerWaalsContact OG-N 3.07Å; S104-D106 PolarHBondContact OG-O 3.31Å; D106-G108 PolarHBondContact O-N 2.76Å; D106-G108 PolarHBondContact OD1-N 3.11Å; D106-R109 IonicContact OD1-CZ 3.21Å; D106-R109 IonicContact OD1-NH1 3.66Å; D106-R109 PolarHBondContact OD1-NH1 3Å; D106-R109 IonicContact OD1-NH2 4Å; D106-R109 IonicContact OD2-NH1 3.08Å; D106-R109 IonicContact OD2-NH2 2.75Å
107A94.9Very high96.5Very high5 Ų541.3 Ų41.34%0.04124%0.237CC..  trans-79.57.8176.500000113.5E50 D113 Y116 H131E50-A107 HydrophobicContact CB-CB 4.05Å; E50-A107 HydrophobicContact CG-CB 3.72Å; E50-A107 PolarHBondContact OE2-N 3.07Å; A107-D113 HydrophobicContact CB-CB 3.88Å; A107-Y116 HydrophobicContact CB-CD1 4.28Å; A107-H131 PolarHBondContact O-CE1 3.41Å
108G94.3Very high96.7Very high30 Ų3038 Ų3831%0.30921%0.21SC..  trans92-165.9-177.500000113.5D106 D113D106-G108 PolarHBondContact O-N 2.76Å; D106-G108 PolarHBondContact OD1-N 3.11Å; G108-D113 WeakPolarHBondContact O-CB 3.37Å
109R95.2Very high96.9Very high84 Ų8434.8 Ų34.832%0.31718%0.177SC..SBendtrans-13449.1179.2-62.2-61.9179.4-59.7-27.6111.9S56 G57 Y58 D106S56-R109 VanDerWaalsContact O-CD 3.25Å; S56-R109 WeakPolarHBondContact O-CD 3.45Å; S56-R109 PolarHBondContact O-NE 2.85Å; G57-R109 WeakPolarHBondContact O-CB 3.28Å; Y58-R109 HydrophobicContact CD1-CB 4.46Å; D106-R109 IonicContact OD1-CZ 3.21Å; D106-R109 IonicContact OD1-NH1 3.66Å; D106-R109 PolarHBondContact OD1-NH1 3Å; D106-R109 IonicContact OD1-NH2 4Å; D106-R109 IonicContact OD2-NH1 3.08Å; D106-R109 IonicContact OD2-NH2 2.75Å
110Y96.1Very high97.2Very high72 Ų7232.2 Ų32.228%0.28216%0.164SC..SBendtrans-138.5-159.4174.7-168-124.6000109.5V14 Y16 T60 D62 C112 D113 F114V14-Y110 HydrophobicContact CG1-CE1 3.69Å; V14-Y110 VanDerWaalsContact CG1-OH 3.29Å; V14-Y110 WeakPolarHBondContact CG1-OH 3.48Å; Y16-Y110 WeakPolarHBondContact OH-CD2 3.42Å; T60-Y110 HydrophobicContact CG2-CD2 3.76Å; T60-Y110 HydrophobicContact CG2-CE2 3.79Å; D62-Y110 WeakPolarHBondContact CA-OH 3.36Å; Y110-C112 VanDerWaalsContact C-N 3.27Å; Y110-C112 PolarHBondContact O-N 3.43Å; Y110-D113 PolarHBondContact O-N 3.16Å; Y110-F114 WeakPolarHBondContact O-CB 3.35Å; Y110-F114 PolarHBondContact O-N 3.48Å
111L97.1Very high97.4Very high14 Ų1432.9 Ų32.97%0.07316%0.161CC..Hα-helixtrans-59.8-29.5-173.5-90.1-76.2000114.6V14 Y16 T19 D62 A115V14-L111 HydrophobicContact CG1-CB 4.22Å; V14-L111 HydrophobicContact CG1-CG 3.89Å; Y16-L111 HydrophobicContact CD1-CD1 4.25Å; Y16-L111 HydrophobicContact CD1-CD2 3.57Å; Y16-L111 HydrophobicContact CD2-CD2 4.02Å; Y16-L111 HydrophobicContact CE1-CD2 3.32Å; Y16-L111 HydrophobicContact CE2-CD2 3.75Å; Y16-L111 HydrophobicContact CG-CD2 3.94Å; Y16-L111 VanDerWaalsContact CZ-CD2 3.4Å; T19-L111 HydrophobicContact CG2-CD1 4.42Å; T19-L111 WeakPolarHBondContact OG1-CD1 3.27Å; D62-L111 HydrophobicContact CB-CD2 4.25Å; L111-A115 WeakPolarHBondContact O-CB 3.18Å; L111-A115 PolarHBondContact O-N 2.97Å
112C97.1Very high97.5Very high35 Ų3535.8 Ų35.824%0.23618%0.175CC..Hα-helixtrans-59.8-59.7175.1-65.60000111.6Y110 F114 A115 Y116 F129Y110-C112 VanDerWaalsContact C-N 3.27Å; Y110-C112 PolarHBondContact O-N 3.43Å; C112-F114 VanDerWaalsContact C-N 3.32Å; C112-F114 PolarHBondContact O-N 2.81Å; C112-A115 PolarHBondContact O-N 2.85Å; C112-Y116 WeakPolarHBondContact O-CB 3.38Å; C112-Y116 PolarHBondContact O-N 2.98Å; C112-F129 HydrophobicContact CB-CE1 4.01Å; C112-F129 HydrophobicContact CB-CE2 3.75Å; C112-F129 HydrophobicContact CB-CZ 3.34Å; C112-F129 WeakPolarHBondContact O-CE2 3.44Å
113D98.2Very high97.5Very high0 Ų033.5 Ų33.50%016%0.16CC..Hα-helixtrans-63.5-37.4177.8-179.468.3000111.9G53 K54 Y58 A107 G108 Y110 Y116 Y117G53-D113 WeakPolarHBondContact CA-OD1 3.14Å; K54-D113 PolarHBondContact N-OD1 2.99Å; K54-D113 PolarHBondContact N-OD2 3.41Å; Y58-D113 HydrophobicContact CE1-CB 4.37Å; Y58-D113 WeakPolarHBondContact CE1-OD2 3.3Å; Y58-D113 PolarHBondContact OH-OD2 3.23Å; A107-D113 HydrophobicContact CB-CB 3.88Å; G108-D113 WeakPolarHBondContact O-CB 3.37Å; Y110-D113 PolarHBondContact O-N 3.16Å; D113-Y116 PolarHBondContact O-N 2.92Å; D113-Y117 VanDerWaalsContact O-CB 3.28Å; D113-Y117 WeakPolarHBondContact O-CB 3.32Å; D113-Y117 PolarHBondContact O-N 3.02Å
114F98.4Very high97.5Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-63.1-51.6177.4-172.6-83.1000112Y16 T19 Q20 Y58 P68 C73 Y110 C112 Y116 Y117 C118Y16-F114 HydrophobicContact CD1-CB 4.19Å; Y16-F114 AromaticContact CD1-CD1 3.87Å; Y16-F114 HydrophobicContact CD1-CD1 3.87Å; Y16-F114 AromaticContact CD1-CD2 3.38Å; Y16-F114 HydrophobicContact CD1-CD2 3.38Å; Y16-F114 HydrophobicContact CD1-CE1 4.04Å; Y16-F114 AromaticContact CD1-CE2 3.53Å; Y16-F114 HydrophobicContact CD1-CE2 3.53Å; Y16-F114 AromaticContact CD1-CG 3.56Å; Y16-F114 HydrophobicContact CD1-CG 3.56Å; Y16-F114 AromaticContact CD1-CZ 3.9Å; Y16-F114 HydrophobicContact CD1-CZ 3.9Å; Y16-F114 HydrophobicContact CE1-CB 4.07Å; Y16-F114 AromaticContact CE1-CD2 3.65Å; Y16-F114 HydrophobicContact CE1-CD2 3.65Å; Y16-F114 HydrophobicContact CE1-CE2 4.18Å; Y16-F114 AromaticContact CE1-CG 3.88Å; Y16-F114 HydrophobicContact CE1-CG 3.88Å; Y16-F114 HydrophobicContact CG-CE2 4.37Å; Y16-F114 HydrophobicContact CG-CZ 4.49Å; Y16-F114 WeakPolarHBondContact O-CE1 3.35Å; T19-F114 HydrophobicContact CG2-CD1 4.18Å; T19-F114 HydrophobicContact CG2-CE1 4.5Å; Q20-F114 HydrophobicContact CB-CE1 3.98Å; Q20-F114 HydrophobicContact CB-CZ 4.26Å; Y58-F114 HydrophobicContact CD1-CB 4.41Å; Y58-F114 HydrophobicContact CD1-CD2 4.33Å; Y58-F114 AromaticContact CD2-CD2 3.88Å; Y58-F114 HydrophobicContact CD2-CD2 3.88Å; Y58-F114 HydrophobicContact CD2-CE2 4.44Å; Y58-F114 HydrophobicContact CE1-CB 3.84Å; Y58-F114 HydrophobicContact CE1-CD2 4.21Å; Y58-F114 AromaticContact CE2-CD2 3.7Å; Y58-F114 HydrophobicContact CE2-CD2 3.7Å; Y58-F114 HydrophobicContact CE2-CE2 4.46Å; Y58-F114 HydrophobicContact CG-CD2 4.17Å; Y58-F114 AromaticContact CZ-CD2 3.87Å; Y58-F114 WeakPolarHBondContact OH-CA 3.5Å; Y58-F114 PolarHBondContact OH-N 3.09Å; P68-F114 HydrophobicContact CB-CE2 4.02Å; P68-F114 HydrophobicContact CG-CD2 4.03Å; P68-F114 HydrophobicContact CG-CE2 3.52Å; P68-F114 HydrophobicContact CG-CZ 4.41Å; C73-F114 VanDerWaalsContact CA-CE2 3.44Å; C73-F114 HydrophobicContact CB-CD2 3.89Å; C73-F114 HydrophobicContact CB-CE2 3.84Å; C73-F114 HydrophobicContact CB-CZ 4.38Å; C73-F114 WeakPolarHBondContact SG-CD2 3.27Å; C73-F114 VanDerWaalsContact SG-CE2 3.54Å; C73-F114 WeakPolarHBondContact SG-CG 3.46Å; C73-F114 PolarHBondContact SG-O 3.27Å; Y110-F114 WeakPolarHBondContact O-CB 3.35Å; Y110-F114 PolarHBondContact O-N 3.48Å; C112-F114 VanDerWaalsContact C-N 3.32Å; C112-F114 PolarHBondContact O-N 2.81Å; F114-Y116 VanDerWaalsContact C-N 3.27Å; F114-Y116 PolarHBondContact O-N 2.99Å; F114-Y117 PolarHBondContact O-N 3.34Å; F114-C118 VanDerWaalsContact O-CB 3.32Å; F114-C118 WeakPolarHBondContact O-CB 3.47Å; F114-C118 PolarHBondContact O-N 2.91Å
115A98.6Very high97.5Very high7 Ų740.8 Ų40.86%0.05819%0.187CC..Hα-helixtrans-58.8-42.4176.300000111.4L12 T19 I23 L111 C112 S119L12-A115 HydrophobicContact CD1-CB 4.15Å; T19-A115 HydrophobicContact CG2-CB 3.73Å; I23-A115 HydrophobicContact CD1-CB 3.81Å; I23-A115 WeakPolarHBondContact CD1-O 3.33Å; L111-A115 WeakPolarHBondContact O-CB 3.18Å; L111-A115 PolarHBondContact O-N 2.97Å; C112-A115 PolarHBondContact O-N 2.85Å; A115-S119 PolarHBondContact O-N 2.98Å; A115-S119 PolarHBondContact O-OG 3.13Å
116Y98.8Very high97.5Very high0 Ų038.5 Ų38.50%018%0.178CC..Hα-helixtrans-61.7-55.2177.7-176.8-154.3000112.1E50 Q51 S83 A107 C112 D113 F114 C118 S119 L120 A127 F129E50-Y116 HydrophobicContact CB-CD1 4.45Å; E50-Y116 HydrophobicContact CB-CE1 3.95Å; E50-Y116 PolarHBondContact O-OH 2.86Å; Q51-Y116 PolarHBondContact O-OH 3.47Å; S83-Y116 WeakPolarHBondContact CB-OH 3.32Å; A107-Y116 HydrophobicContact CB-CD1 4.28Å; C112-Y116 WeakPolarHBondContact O-CB 3.38Å; C112-Y116 PolarHBondContact O-N 2.98Å; D113-Y116 PolarHBondContact O-N 2.92Å; F114-Y116 VanDerWaalsContact C-N 3.27Å; F114-Y116 PolarHBondContact O-N 2.99Å; Y116-C118 VanDerWaalsContact C-N 3.33Å; Y116-C118 PolarHBondContact O-N 3.12Å; Y116-S119 CarbonylContact O-C 3.53Å; Y116-S119 PolarHBondContact O-N 3.16Å; Y116-S119 VanDerWaalsContact O-N 3.11Å; Y116-L120 HydrophobicContact CD1-CD1 4.2Å; Y116-L120 HydrophobicContact CD2-CD1 3.88Å; Y116-L120 HydrophobicContact CD2-CD2 4.42Å; Y116-L120 HydrophobicContact CD2-CG 3.8Å; Y116-L120 HydrophobicContact CE1-CD1 3.95Å; Y116-L120 HydrophobicContact CE2-CD1 3.56Å; Y116-L120 HydrophobicContact CE2-CD2 3.68Å; Y116-L120 HydrophobicContact CE2-CG 3.51Å; Y116-L120 HydrophobicContact CG-CD1 4.19Å; Y116-L120 WeakPolarHBondContact O-CG 3.42Å; Y116-L120 PolarHBondContact O-N 3.27Å; Y116-A127 HydrophobicContact CD2-CB 4.35Å; Y116-A127 HydrophobicContact CE2-CB 4.2Å; Y116-F129 HydrophobicContact CD1-CB 3.63Å; Y116-F129 HydrophobicContact CD1-CG 4.45Å; Y116-F129 HydrophobicContact CD2-CB 3.8Å; Y116-F129 HydrophobicContact CE1-CB 3.94Å; Y116-F129 HydrophobicContact CE2-CB 4.14Å; Y116-F129 HydrophobicContact CG-CB 3.53Å; Y116-F129 HydrophobicContact CG-CD2 4.29Å; Y116-F129 HydrophobicContact CG-CG 4.28Å
117Y98.8Very high97.7Very high0 Ų035.2 Ų35.20%016%0.16CC..Hα-helixtrans-58.8-45.9-179.2177.4-83.5000111K54 N55 C73 I74 P78 L81 D113 F114 S119 L120 Y121K54-Y117 WeakPolarHBondContact O-CB 3.32Å; K54-Y117 WeakPolarHBondContact O-CD2 3.43Å; K54-Y117 VanDerWaalsContact O-CG 3.29Å; N55-Y117 HydrophobicContact CB-CD1 4.45Å; N55-Y117 HydrophobicContact CB-CD2 4.18Å; N55-Y117 HydrophobicContact CB-CE1 3.86Å; N55-Y117 HydrophobicContact CB-CE2 3.53Å; N55-Y117 VanDerWaalsContact CG-OH 3.29Å; N55-Y117 PolarHBondContact ND2-OH 2.87Å; N55-Y117 WeakPolarHBondContact OD1-CE1 3.4Å; C73-Y117 HydrophobicContact CB-CD1 3.4Å; C73-Y117 HydrophobicContact CB-CE1 3.89Å; C73-Y117 HydrophobicContact CB-CG 4.29Å; I74-Y117 HydrophobicContact CB-CE1 4.06Å; I74-Y117 HydrophobicContact CG1-CD1 4.34Å; I74-Y117 HydrophobicContact CG1-CE1 3.78Å; P78-Y117 WeakPolarHBondContact CD-OH 3.28Å; P78-Y117 WeakPolarHBondContact O-CE2 3.38Å; P78-Y117 PolarHBondContact O-OH 2.88Å; L81-Y117 HydrophobicContact CB-CD2 4.44Å; L81-Y117 HydrophobicContact CB-CE2 4.27Å; L81-Y117 HydrophobicContact CD1-CD2 4.25Å; L81-Y117 HydrophobicContact CD1-CE2 3.7Å; L81-Y117 HydrophobicContact CG-CD2 4.41Å; L81-Y117 HydrophobicContact CG-CE2 3.79Å; D113-Y117 VanDerWaalsContact O-CB 3.28Å; D113-Y117 WeakPolarHBondContact O-CB 3.32Å; D113-Y117 PolarHBondContact O-N 3.02Å; F114-Y117 PolarHBondContact O-N 3.34Å; Y117-S119 VanDerWaalsContact C-N 3.26Å; Y117-S119 PolarHBondContact O-N 3.48Å; Y117-L120 WeakPolarHBondContact O-CB 3.21Å; Y117-L120 PolarHBondContact O-N 2.82Å; Y117-L120 VanDerWaalsContact O-N 3.09Å; Y117-Y121 WeakPolarHBondContact O-CB 3.47Å; Y117-Y121 PolarHBondContact O-N 3.28Å
118C98.4Very high97.8Very high0 Ų035 Ų350%016%0.158CC..Hα-helixtrans-63.7-32.5179.8-82.20000111.3C73 F114 Y116 H122C73-C118 WeakPolarHBondContact CB-SG 3.37Å; C73-C118 WeakPolarHBondContact SG-CB 3.42Å; C73-C118 CovalentContact SG-SG 2.1Å; C73-C118 PolarHBondContact SG-SG 2.9Å; F114-C118 VanDerWaalsContact O-CB 3.32Å; F114-C118 WeakPolarHBondContact O-CB 3.47Å; F114-C118 PolarHBondContact O-N 2.91Å; Y116-C118 VanDerWaalsContact C-N 3.33Å; Y116-C118 PolarHBondContact O-N 3.12Å; C118-H122 PolarHBondContact O-CD2 2.68Å; C118-H122 PolarHBondContact O-N 2.98Å; C118-H122 VanDerWaalsContact O-N 3.12Å
119S98.8Very high98.1Very high2 Ų233.7 Ų33.71%0.01415%0.145CC..Hα-helixtrans-73-36.3169.1-73.40000114.5I23 W27 H37 A115 Y116 Y117 Y121 G123I23-S119 WeakPolarHBondContact CG2-OG 3.44Å; W27-S119 PolarHBondContact NE1-OG 3.49Å; H37-S119 PolarHBondContact CE1-OG 2.76Å; H37-S119 VanDerWaalsContact CE1-OG 3.31Å; H37-S119 VanDerWaalsContact NE2-CB 3.27Å; H37-S119 WeakPolarHBondContact NE2-CB 3.33Å; H37-S119 PolarHBondContact NE2-OG 2.74Å; A115-S119 PolarHBondContact O-N 2.98Å; A115-S119 PolarHBondContact O-OG 3.13Å; Y116-S119 CarbonylContact O-C 3.53Å; Y116-S119 PolarHBondContact O-N 3.16Å; Y116-S119 VanDerWaalsContact O-N 3.11Å; Y117-S119 VanDerWaalsContact C-N 3.26Å; Y117-S119 PolarHBondContact O-N 3.48Å; S119-Y121 VanDerWaalsContact C-N 3.26Å; S119-Y121 PolarHBondContact O-N 3.07Å; S119-G123 VanDerWaalsContact O-CA 3.32Å; S119-G123 WeakPolarHBondContact O-CA 3.06Å; S119-G123 PolarHBondContact O-N 3Å
120L98.8Very high98.2Very high1 Ų129.7 Ų29.71%0.00513%0.129CC..Hα-helixtrans-62-38.3173.1-72.8170.6000111.1L81 Y116 Y117 R125 A127L81-L120 HydrophobicContact CB-CB 3.91Å; L81-L120 HydrophobicContact CB-CD1 3.92Å; L81-L120 HydrophobicContact CD1-CB 3.92Å; L81-L120 WeakPolarHBondContact O-CD1 3.21Å; Y116-L120 HydrophobicContact CD1-CD1 4.2Å; Y116-L120 HydrophobicContact CD2-CD1 3.88Å; Y116-L120 HydrophobicContact CD2-CD2 4.42Å; Y116-L120 HydrophobicContact CD2-CG 3.8Å; Y116-L120 HydrophobicContact CE1-CD1 3.95Å; Y116-L120 HydrophobicContact CE2-CD1 3.56Å; Y116-L120 HydrophobicContact CE2-CD2 3.68Å; Y116-L120 HydrophobicContact CE2-CG 3.51Å; Y116-L120 HydrophobicContact CG-CD1 4.19Å; Y116-L120 WeakPolarHBondContact O-CG 3.42Å; Y116-L120 PolarHBondContact O-N 3.27Å; Y117-L120 WeakPolarHBondContact O-CB 3.21Å; Y117-L120 PolarHBondContact O-N 2.82Å; Y117-L120 VanDerWaalsContact O-N 3.09Å; L120-R125 HydrophobicContact CD2-CB 4.46Å; L120-R125 WeakPolarHBondContact O-CA 3.47Å; L120-R125 PolarHBondContact O-N 3.03Å; L120-A127 HydrophobicContact CD2-CB 4.02Å; L120-A127 HydrophobicContact CG-CB 4.29Å
121Y98.8Very high98.3Very high99 Ų9927.2 Ų27.239%0.38812%0.12SC..Hα-helixtrans-67.4-55.7178.4-176.2-92.5000111.5I74 L81 Y117 S119 G123I74-Y121 HydrophobicContact CD1-CD1 4.31Å; I74-Y121 HydrophobicContact CG1-CD1 4.07Å; I74-Y121 HydrophobicContact CG1-CD2 4.48Å; I74-Y121 HydrophobicContact CG1-CG 4.04Å; I74-Y121 HydrophobicContact CG2-CD1 4.2Å; I74-Y121 HydrophobicContact CG2-CD2 4.26Å; I74-Y121 HydrophobicContact CG2-CE1 3.86Å; I74-Y121 HydrophobicContact CG2-CE2 3.92Å; I74-Y121 HydrophobicContact CG2-CG 4.39Å; L81-Y121 HydrophobicContact CD1-CD2 4.38Å; Y117-Y121 WeakPolarHBondContact O-CB 3.47Å; Y117-Y121 PolarHBondContact O-N 3.28Å; S119-Y121 VanDerWaalsContact C-N 3.26Å; S119-Y121 PolarHBondContact O-N 3.07Å; Y121-G123 PolarHBondContact O-N 3.43Å
122H98.4Very high98.3Very high63 Ų6328 Ų2829%0.29212%0.124SC..Hα-helixtrans-72.5-28.6-177.9-70.4-60.4000113.9W27 C118W27-H122 HydrophobicContact CB-CB 3.95Å; W27-H122 HydrophobicContact CG-CB 3.9Å; C118-H122 PolarHBondContact O-CD2 2.68Å; C118-H122 PolarHBondContact O-N 2.98Å; C118-H122 VanDerWaalsContact O-N 3.12Å
123G97.8Very high98.2Very high0 Ų026.7 Ų26.70%012%0.115CC..THydrogen-bonded Turntrans-92.212.8-176.500000114.8W27 S119 Y121 R125 R126W27-G123 VanDerWaalsContact CZ3-CA 3.49Å; S119-G123 VanDerWaalsContact O-CA 3.32Å; S119-G123 WeakPolarHBondContact O-CA 3.06Å; S119-G123 PolarHBondContact O-N 3Å; Y121-G123 PolarHBondContact O-N 3.43Å; G123-R125 PolarHBondContact O-N 3.4Å; G123-R126 WeakPolarHBondContact O-CB 3.32Å; G123-R126 WeakPolarHBondContact O-CG 3.16Å; G123-R126 PolarHBondContact O-N 2.93Å; G123-R126 PolarHBondContact O-NE 2.1Å
124E97.4Very high98Very high130 Ų13029.4 Ų29.461%0.60713%0.134SC*.THydrogen-bonded Turntrans51.346.9-176-59.9168.8176.400111.6R126E124-R126 PolarHBondContact O-N 3.31Å; E124-R126 IonicContact OE2-CZ 2.74Å; E124-R126 IonicContact OE2-NH1 3.13Å; E124-R126 PolarHBondContact OE2-NH1 3.14Å; E124-R126 IonicContact OE2-NH2 3.96Å; E124-R126 PolarHBondContact OE2-NH2 3.43Å
125R98.4Very high97.5Very high109 Ų10931.7 Ų31.741%0.41115%0.15SC..THydrogen-bonded Turntrans67.87.9-180-51.4167.263.4-172.5-3.7114.9L81 D82 V84 L120 G123 A127L81-R125 HydrophobicContact CD2-CG 4.35Å; D82-R125 PolarHBondContact O-NE 3.47Å; D82-R125 PolarHBondContact O-NH2 3.08Å; V84-R125 HydrophobicContact CG1-CB 3.77Å; V84-R125 PolarHBondContact N-O 2.97Å; V84-R125 VanDerWaalsContact N-O 3.08Å; L120-R125 HydrophobicContact CD2-CB 4.46Å; L120-R125 WeakPolarHBondContact O-CA 3.47Å; L120-R125 PolarHBondContact O-N 3.03Å; G123-R125 PolarHBondContact O-N 3.4Å; R125-A127 PolarHBondContact O-N 2.93Å
126R98.3Very high97Very high88 Ų8833.6 Ų33.633%0.33217%0.17SC..  trans-82.353.3174.6-61.1-177.2-68.7-103.6-7.2112.8W27 F34 A35 V84 G123 E124W27-R126 HydrophobicContact CH2-CB 4.1Å; W27-R126 VanDerWaalsContact CH2-O 3.23Å; W27-R126 WeakPolarHBondContact CH2-O 3.36Å; W27-R126 WeakPolarHBondContact CZ2-O 3.24Å; F34-R126 HydrophobicContact CD2-CB 3.94Å; F34-R126 WeakPolarHBondContact CD2-O 3.49Å; F34-R126 HydrophobicContact CE2-CB 4.5Å; A35-R126 PolarHBondContact N-O 2.98Å; A35-R126 VanDerWaalsContact N-O 3.13Å; V84-R126 HydrophobicContact CG2-CG 4.33Å; G123-R126 WeakPolarHBondContact O-CB 3.32Å; G123-R126 WeakPolarHBondContact O-CG 3.16Å; G123-R126 PolarHBondContact O-N 2.93Å; G123-R126 PolarHBondContact O-NE 2.1Å; E124-R126 PolarHBondContact O-N 3.31Å; E124-R126 IonicContact OE2-CZ 2.74Å; E124-R126 IonicContact OE2-NH1 3.13Å; E124-R126 PolarHBondContact OE2-NH1 3.14Å; E124-R126 IonicContact OE2-NH2 3.96Å; E124-R126 PolarHBondContact OE2-NH2 3.43Å
127A98.7Very high96.3Very high0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans-136.6156.3172.800000111.5A35 S83 Y116 L120 R125A35-A127 HydrophobicContact CB-CB 4.3Å; A35-A127 CarbonylContact O-C 3.48Å; A35-A127 WeakPolarHBondContact O-CA 3.26Å; S83-A127 WeakPolarHBondContact CB-O 3.47Å; S83-A127 PolarHBondContact OG-O 3.14Å; Y116-A127 HydrophobicContact CD2-CB 4.35Å; Y116-A127 HydrophobicContact CE2-CB 4.2Å; L120-A127 HydrophobicContact CD2-CB 4.02Å; L120-A127 HydrophobicContact CG-CB 4.29Å; R125-A127 PolarHBondContact O-N 2.93Å
128A98.5Very high95.7Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-127.7155.5170.200000110.2F34 A35 V36 H37 M87 M155F34-A128 HydrophobicContact CE1-CB 3.73Å; F34-A128 HydrophobicContact CZ-CB 3.66Å; A35-A128 PolarHBondContact O-N 3.46Å; V36-A128 HydrophobicContact CG2-CB 4.45Å; H37-A128 PolarHBondContact N-O 3.34Å; M87-A128 HydrophobicContact CE-CB 3.42Å; M87-A128 VanDerWaalsContact CE-CB 3.42Å; A128-M155 HydrophobicContact CB-CE 3.91Å; A128-M155 HydrophobicContact CB-SD 3.71Å
129F98.7Very high95.1Very high4 Ų440 Ų402%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-127.5131.6166.2-166.5-74.7000109.9H37 E50 C112 Y116 H131H37-F129 HydrophobicContact CB-CB 4.33Å; H37-F129 HydrophobicContact CB-CD2 3.23Å; H37-F129 HydrophobicContact CB-CE2 3.69Å; H37-F129 HydrophobicContact CB-CG 4.04Å; H37-F129 WeakPolarHBondContact O-CA 3.25Å; E50-F129 HydrophobicContact CB-CB 4.12Å; E50-F129 HydrophobicContact CG-CB 4.35Å; E50-F129 HydrophobicContact CG-CD1 3.94Å; E50-F129 PolarHBondContact N-O 2.84Å; C112-F129 HydrophobicContact CB-CE1 4.01Å; C112-F129 HydrophobicContact CB-CE2 3.75Å; C112-F129 HydrophobicContact CB-CZ 3.34Å; C112-F129 WeakPolarHBondContact O-CE2 3.44Å; Y116-F129 HydrophobicContact CD1-CB 3.63Å; Y116-F129 HydrophobicContact CD1-CG 4.45Å; Y116-F129 HydrophobicContact CD2-CB 3.8Å; Y116-F129 HydrophobicContact CE1-CB 3.94Å; Y116-F129 HydrophobicContact CE2-CB 4.14Å; Y116-F129 HydrophobicContact CG-CB 3.53Å; Y116-F129 HydrophobicContact CG-CD2 4.29Å; Y116-F129 HydrophobicContact CG-CG 4.28Å; F129-H131 AromaticContact CD1-ND1 3.95Å; F129-H131 HydrophobicContact CE1-CB 4.46Å; F129-H131 AromaticContact CE1-CD2 3.56Å; F129-H131 AromaticContact CE1-CE1 3.54Å; F129-H131 AromaticContact CE1-CG 3.67Å; F129-H131 AromaticContact CE1-ND1 3.69Å; F129-H131 AromaticContact CE1-NE2 3.47Å; F129-H131 WeakPolarHBondContact CE1-NE2 3.25Å
130I98.6Very high94.7Very high0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-119.3113.2177-51.5173.8000107.9V36 H37 L38 G39 V47 I48 L49 I132 L148 I151 M155V36-I130 HydrophobicContact CG1-CD1 3.76Å; V36-I130 HydrophobicContact CG1-CG1 4.18Å; H37-I130 PolarHBondContact O-N 2.83Å; L38-I130 WeakPolarHBondContact CA-O 3.32Å; L38-I130 HydrophobicContact CD2-CB 3.78Å; L38-I130 HydrophobicContact CD2-CD1 4.08Å; L38-I130 HydrophobicContact CD2-CG1 4.3Å; L38-I130 HydrophobicContact CD2-CG2 4.49Å; G39-I130 PolarHBondContact N-O 3.21Å; G39-I130 VanDerWaalsContact N-O 3.15Å; V47-I130 HydrophobicContact CG1-CG2 3.57Å; I48-I130 WeakPolarHBondContact O-CA 3.41Å; L49-I130 HydrophobicContact CD2-CD1 4.42Å; L49-I130 HydrophobicContact CD2-CG1 3.99Å; L49-I130 HydrophobicContact CD2-CG2 4.07Å; I130-I132 HydrophobicContact CG2-CG2 4.21Å; I130-I132 PolarHBondContact O-N 3.07Å; I130-L148 HydrophobicContact CD1-CD2 3.86Å; I130-L148 HydrophobicContact CG2-CD2 3.83Å; I130-I151 HydrophobicContact CD1-CG2 3.9Å; I130-M155 HydrophobicContact CD1-CE 3.94Å; I130-M155 HydrophobicContact CG1-CE 4.04Å
131H98.1Very high94.3Very high19 Ų1946.2 Ų46.29%0.08826%0.263CS..EExtended strand (participates in β ladder)trans-77.5118.2165.6-86.7116.2000109G39 A41 V47 I48 E50 A107 F129G39-H131 CarbonylContact O-C 3.57Å; G39-H131 WeakPolarHBondContact O-CA 3.23Å; A41-H131 HydrophobicContact CB-CB 3.79Å; V47-H131 WeakPolarHBondContact CA-O 3.2Å; I48-H131 HydrophobicContact CB-CB 3.98Å; I48-H131 HydrophobicContact CD1-CB 4.4Å; I48-H131 HydrophobicContact CG1-CB 4.44Å; I48-H131 PolarHBondContact N-O 3.4Å; I48-H131 PolarHBondContact O-N 2.89Å; E50-H131 IonicContact OE1-CE1 3.97Å; E50-H131 IonicContact OE1-CG 2.68Å; E50-H131 IonicContact OE1-ND1 3.67Å; E50-H131 PolarHBondContact OE1-ND1 3.25Å; A107-H131 PolarHBondContact O-CE1 3.41Å; F129-H131 AromaticContact CD1-ND1 3.95Å; F129-H131 HydrophobicContact CE1-CB 4.46Å; F129-H131 AromaticContact CE1-CD2 3.56Å; F129-H131 AromaticContact CE1-CE1 3.54Å; F129-H131 AromaticContact CE1-CG 3.67Å; F129-H131 AromaticContact CE1-ND1 3.69Å; F129-H131 AromaticContact CE1-NE2 3.47Å; F129-H131 WeakPolarHBondContact CE1-NE2 3.25Å
132I96.9Very high94Very high31 Ų3144.4 Ų44.416%0.15927%0.274CS..EExtended strand (participates in β ladder)trans-93.4148.4178.261.9170.3000110.8L38 G39 I40 A41 I130 L144 L148L38-I132 HydrophobicContact CD2-CG2 4.45Å; G39-I132 WeakPolarHBondContact O-CG1 3.28Å; G39-I132 PolarHBondContact O-N 3.41Å; I40-I132 HydrophobicContact CG1-CD1 4.24Å; I40-I132 HydrophobicContact CG1-CG1 4.15Å; A41-I132 PolarHBondContact N-O 2.79Å; I130-I132 HydrophobicContact CG2-CG2 4.21Å; I130-I132 PolarHBondContact O-N 3.07Å; I132-L144 HydrophobicContact CB-CD1 4.42Å; I132-L144 HydrophobicContact CB-CD2 4.05Å; I132-L144 HydrophobicContact CD1-CD2 4.09Å; I132-L144 HydrophobicContact CG2-CD1 4.2Å; I132-L144 HydrophobicContact CG2-CD2 4.21Å; I132-L148 HydrophobicContact CG2-CD1 4.22Å; I132-L148 HydrophobicContact CG2-CD2 4.18Å
133P94.9Very high93.8Very high7 Ų747.3 Ų47.35%0.04528%0.282CS..EExtended strand (participates in β ladder)trans-70144.5-177.427.7-35.3000112.2S44 V47 L138S44-P133 CarbonylContact O-C 3.42Å; S44-P133 VanDerWaalsContact O-CA 3.26Å; S44-P133 WeakPolarHBondContact O-CA 3.41Å; S44-P133 VanDerWaalsContact O-CB 3.25Å; S44-P133 WeakPolarHBondContact O-CB 3.46Å; V47-P133 HydrophobicContact CG2-CG 4.42Å; P133-L138 HydrophobicContact CG-CB 3.8Å
134S93.1Very high93.6Very high58 Ų5848.1 Ų48.141%0.40629%0.286SS..SBendtrans-94.6-10.6171.264.60000113.4A41 G43 S44A41-S134 PolarHBondContact O-OG 3.38Å; G43-S134 PolarHBondContact N-OG 3.03Å; S44-S134 PolarHBondContact O-N 3.36Å
135S89.6Confident93.5Very high48 Ų4845.3 Ų45.334%0.33628%0.278SS..SBendtrans-144.2171.9-174.861.70000111.5S44 S45S44-S135 PolarHBondContact O-N 2.87Å; S44-S135 PolarHBondContact O-OG 3.19Å; S45-S135 WeakPolarHBondContact CA-O 3.46Å
136G88.1Confident93.4Very high46 Ų4642.9 Ų42.947%0.47428%0.277SS..SBendtrans76.8-178.3178.200000113.8L138 S139G136-L138 PolarHBondContact O-N 3.48Å; G136-S139 PolarHBondContact O-N 3.46Å; G136-S139 PolarHBondContact O-OG 3.45Å
137S83.2Confident93.3Very high74 Ų7438.9 Ų38.952%0.51726%0.262SS..G310 helixtrans-68.6-22.3-170.765.90000114.1R143S137-R143 PolarHBondContact OG-NH1 3.45Å
138L85.8Confident93.2Very high4 Ų439.7 Ų39.72%0.02127%0.266CS..G310 helixtrans-81.8-8.7176-72.4-177.7000114.1V47 D100 P133 G136 S140 R143 L144 L147V47-L138 HydrophobicContact CG2-CD1 4.4Å; D100-L138 HydrophobicContact CB-CD1 3.72Å; P133-L138 HydrophobicContact CG-CB 3.8Å; G136-L138 PolarHBondContact O-N 3.48Å; L138-S140 PolarHBondContact O-N 3Å; L138-R143 HydrophobicContact CD2-CB 4.36Å; L138-L144 WeakPolarHBondContact O-CB 3.49Å; L138-L147 HydrophobicContact CD1-CD2 4.47Å; L138-L147 HydrophobicContact CD2-CD2 4.18Å
139S85.8Confident93.1Very high56 Ų5643.4 Ų43.439%0.39228%0.283SS..G310 helixtrans-76-11.9173.870.30000112.9G136G136-S139 PolarHBondContact O-N 3.46Å; G136-S139 PolarHBondContact O-OG 3.45Å
140S91.3Very high93Very high66 Ų6648.4 Ų48.446%0.46231%0.307SS..SBendtrans-71.4127.8174.1176.70000111.2L138 G142 R143 L144L138-S140 PolarHBondContact O-N 3Å; S140-G142 PolarHBondContact O-N 3.44Å; S140-G142 VanDerWaalsContact O-N 3.14Å; S140-R143 PolarHBondContact O-N 2.82Å; S140-L144 WeakPolarHBondContact O-CB 3.17Å; S140-L144 PolarHBondContact O-N 3.42Å
141A90.8Very high93Very high69 Ų6948.4 Ų48.457%0.5731%0.307SS*.Hα-helixtrans-53.3-36.9178.500000113R143 L144 V145A141-R143 PolarHBondContact O-N 3.33Å; A141-R143 VanDerWaalsContact O-N 3.16Å; A141-L144 PolarHBondContact O-N 3.15Å; A141-V145 WeakPolarHBondContact O-CB 3.03Å; A141-V145 WeakPolarHBondContact O-CG2 3.45Å; A141-V145 PolarHBondContact O-N 2.63Å
142G92.6Very high92.9Very high60 Ų6049.3 Ų49.362%0.61931%0.312SS*.Hα-helixtrans-63.6-19.718000000114.4S140S140-G142 PolarHBondContact O-N 3.44Å; S140-G142 VanDerWaalsContact O-N 3.14Å
143R92.9Very high92.9Very high124 Ų12450.5 Ų50.547%0.46832%0.32SS..Hα-helixtrans-106.5-38.1174.7-65.3-171.166.6-160.5-1.9112.4S137 L138 S140 A141 L147S137-R143 PolarHBondContact OG-NH1 3.45Å; L138-R143 HydrophobicContact CD2-CB 4.36Å; S140-R143 PolarHBondContact O-N 2.82Å; A141-R143 PolarHBondContact O-N 3.33Å; A141-R143 VanDerWaalsContact O-N 3.16Å; R143-L147 WeakPolarHBondContact O-CB 3.39Å; R143-L147 PolarHBondContact O-N 2.73Å
144L94.9Very high93Very high17 Ų1752.4 Ų52.49%0.08933%0.329CS..Hα-helixtrans-67.3-44.8-177.4-173.557.9000111.9V47 I132 L138 S140 A141 L147 L148V47-L144 HydrophobicContact CG2-CD1 3.95Å; I132-L144 HydrophobicContact CB-CD1 4.42Å; I132-L144 HydrophobicContact CB-CD2 4.05Å; I132-L144 HydrophobicContact CD1-CD2 4.09Å; I132-L144 HydrophobicContact CG2-CD1 4.2Å; I132-L144 HydrophobicContact CG2-CD2 4.21Å; L138-L144 WeakPolarHBondContact O-CB 3.49Å; S140-L144 WeakPolarHBondContact O-CB 3.17Å; S140-L144 PolarHBondContact O-N 3.42Å; A141-L144 PolarHBondContact O-N 3.15Å; L144-L147 PolarHBondContact O-N 3.49Å; L144-L148 HydrophobicContact CD1-CD1 4.1Å; L144-L148 HydrophobicContact CD1-CD2 4.4Å; L144-L148 HydrophobicContact CD1-CG 3.97Å; L144-L148 HydrophobicContact CD2-CD1 4.37Å; L144-L148 HydrophobicContact CG-CD1 3.8Å; L144-L148 HydrophobicContact CG-CG 4.11Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.9Å
145V95.3Very high93.2Very high71 Ų7149.7 Ų49.743%0.4331%0.31SS..Hα-helixtrans-63.5-51-174.9173.50000111.6A141 L147 L148 Q149A141-V145 WeakPolarHBondContact O-CB 3.03Å; A141-V145 WeakPolarHBondContact O-CG2 3.45Å; A141-V145 PolarHBondContact O-N 2.63Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 2.9Å; V145-L148 PolarHBondContact O-N 3.17Å; V145-Q149 HydrophobicContact CG1-CG 4.41Å; V145-Q149 VanDerWaalsContact O-CG 3.28Å; V145-Q149 WeakPolarHBondContact O-CG 3.48Å; V145-Q149 PolarHBondContact O-N 3.25Å
146P95.7Very high93.5Very high59 Ų5948.4 Ų48.438%0.38330%0.3SS..Hα-helixtrans-58.2-42176.4-25.335.3000113Q149 E150P146-Q149 WeakPolarHBondContact O-CB 3.34Å; P146-Q149 PolarHBondContact O-N 3.22Å; P146-E150 PolarHBondContact O-N 3.06Å
147L96.4Very high93.8Very high3 Ų350 Ų502%0.01630%0.297CS..Hα-helixtrans-62.1-46.1177.3175.256.8000112.1V47 F94 M99 V101 L138 R143 L144 V145 Q149 E150 I151V47-L147 HydrophobicContact CG2-CD2 3.98Å; F94-L147 HydrophobicContact CD1-CD1 3.7Å; F94-L147 HydrophobicContact CE1-CD1 3.52Å; F94-L147 HydrophobicContact CG-CD1 4.36Å; F94-L147 HydrophobicContact CZ-CD1 4.06Å; M99-L147 HydrophobicContact CE-CB 4.4Å; M99-L147 HydrophobicContact CE-CD1 3.67Å; M99-L147 HydrophobicContact CE-CD2 4.07Å; M99-L147 HydrophobicContact CE-CG 4.26Å; M99-L147 HydrophobicContact SD-CD1 4.06Å; V101-L147 HydrophobicContact CG2-CD1 4.08Å; V101-L147 HydrophobicContact CG2-CD2 4.02Å; L138-L147 HydrophobicContact CD1-CD2 4.47Å; L138-L147 HydrophobicContact CD2-CD2 4.18Å; R143-L147 WeakPolarHBondContact O-CB 3.39Å; R143-L147 PolarHBondContact O-N 2.73Å; L144-L147 PolarHBondContact O-N 3.49Å; V145-L147 VanDerWaalsContact C-N 3.31Å; V145-L147 PolarHBondContact O-N 2.9Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 2.68Å; L147-E150 PolarHBondContact O-N 3.36Å; L147-I151 HydrophobicContact CD1-CD1 3.8Å; L147-I151 HydrophobicContact CD1-CG1 4.12Å; L147-I151 HydrophobicContact CG-CD1 3.79Å; L147-I151 WeakPolarHBondContact O-CB 3.46Å; L147-I151 VanDerWaalsContact O-CG1 3.28Å; L147-I151 WeakPolarHBondContact O-CG1 3.48Å; L147-I151 PolarHBondContact O-N 3.14Å
148L96.9Very high94.4Very high18 Ų1848.2 Ų48.29%0.09428%0.28CS..Hα-helixtrans-61.6-38.7175.8-71.9176.8000111.4L38 I130 I132 L144 V145 I151 I152L38-L148 HydrophobicContact CD1-CD1 4.21Å; L38-L148 HydrophobicContact CD2-CD1 4.48Å; L38-L148 HydrophobicContact CD2-CD2 4.29Å; I130-L148 HydrophobicContact CD1-CD2 3.86Å; I130-L148 HydrophobicContact CG2-CD2 3.83Å; I132-L148 HydrophobicContact CG2-CD1 4.22Å; I132-L148 HydrophobicContact CG2-CD2 4.18Å; L144-L148 HydrophobicContact CD1-CD1 4.1Å; L144-L148 HydrophobicContact CD1-CD2 4.4Å; L144-L148 HydrophobicContact CD1-CG 3.97Å; L144-L148 HydrophobicContact CD2-CD1 4.37Å; L144-L148 HydrophobicContact CG-CD1 3.8Å; L144-L148 HydrophobicContact CG-CG 4.11Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 VanDerWaalsContact O-CG 3.29Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.9Å; V145-L148 PolarHBondContact O-N 3.17Å; L148-I151 PolarHBondContact O-N 3.41Å; L148-I152 WeakPolarHBondContact O-CB 3.36Å; L148-I152 WeakPolarHBondContact O-CD1 3.29Å; L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 3.46Å
149Q96Very high94.7Very high78 Ų7848.6 Ų48.636%0.36428%0.283SS..Hα-helixtrans-61.5-46.3176.3-70.2180-35.800111.6M1 V145 P146 L147 I152 V153M1-Q149 HydrophobicContact CE-CB 3.74Å; M1-Q149 HydrophobicContact CE-CG 3.56Å; M1-Q149 HydrophobicContact SD-CG 4.18Å; V145-Q149 HydrophobicContact CG1-CG 4.41Å; V145-Q149 VanDerWaalsContact O-CG 3.28Å; V145-Q149 WeakPolarHBondContact O-CG 3.48Å; V145-Q149 PolarHBondContact O-N 3.25Å; P146-Q149 WeakPolarHBondContact O-CB 3.34Å; P146-Q149 PolarHBondContact O-N 3.22Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 2.68Å; Q149-I152 PolarHBondContact O-N 3.39Å; Q149-V153 WeakPolarHBondContact O-CG2 3.48Å; Q149-V153 PolarHBondContact O-N 2.96Å
150E96.9Very high94.8Very high108 Ų10851 Ų5151%0.50529%0.287SS..Hα-helixtrans-64-44.8176.8-70-178.2170.900112.1F94 P146 L147 I152 V153 M154F94-E150 HydrophobicContact CE1-CB 4.3Å; F94-E150 HydrophobicContact CZ-CB 3.9Å; P146-E150 PolarHBondContact O-N 3.06Å; L147-E150 PolarHBondContact O-N 3.36Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.35Å; E150-V153 PolarHBondContact O-N 2.96Å; E150-M154 WeakPolarHBondContact O-CG 3.24Å; E150-M154 PolarHBondContact O-N 2.76Å
151I98Very high94.4Very high0 Ų053.7 Ų53.70%029%0.293CS..Hα-helixtrans-56.6-48.5175.3-71.8164000110.4V47 L49 I90 F94 V101 I130 L147 L148 V153 M154 M155V47-I151 HydrophobicContact CG1-CD1 4.03Å; L49-I151 HydrophobicContact CD2-CD1 4.33Å; L49-I151 HydrophobicContact CD2-CG2 3.93Å; I90-I151 HydrophobicContact CG2-CG2 4.37Å; F94-I151 HydrophobicContact CD2-CG1 4.01Å; F94-I151 HydrophobicContact CE2-CB 4.34Å; F94-I151 HydrophobicContact CE2-CD1 4.45Å; F94-I151 HydrophobicContact CE2-CG1 3.37Å; F94-I151 HydrophobicContact CZ-CG1 3.7Å; V101-I151 HydrophobicContact CG1-CD1 4.38Å; V101-I151 HydrophobicContact CG2-CD1 4.43Å; I130-I151 HydrophobicContact CD1-CG2 3.9Å; L147-I151 HydrophobicContact CD1-CD1 3.8Å; L147-I151 HydrophobicContact CD1-CG1 4.12Å; L147-I151 HydrophobicContact CG-CD1 3.79Å; L147-I151 WeakPolarHBondContact O-CB 3.46Å; L147-I151 VanDerWaalsContact O-CG1 3.28Å; L147-I151 WeakPolarHBondContact O-CG1 3.48Å; L147-I151 PolarHBondContact O-N 3.14Å; L148-I151 PolarHBondContact O-N 3.41Å; I151-V153 VanDerWaalsContact C-N 3.34Å; I151-V153 PolarHBondContact O-N 3.36Å; I151-M154 PolarHBondContact O-N 2.94Å; I151-M155 HydrophobicContact CG2-CE 3.44Å; I151-M155 VanDerWaalsContact CG2-CE 3.44Å; I151-M155 HydrophobicContact CG2-CG 4.45Å; I151-M155 HydrophobicContact CG2-SD 4.16Å; I151-M155 VanDerWaalsContact O-CG 3.28Å; I151-M155 WeakPolarHBondContact O-CG 3.11Å; I151-M155 PolarHBondContact O-N 2.95Å
152I96.9Very high93.6Very high39 Ų3954.3 Ų54.320%0.229%0.29CS..Hα-helixtrans-64.7-39.3-178.4-69.2166.9000111V36 L148 Q149 E150 M155 L156V36-I152 HydrophobicContact CG1-CD1 4.3Å; V36-I152 HydrophobicContact CG1-CG1 4.23Å; V36-I152 HydrophobicContact CG2-CG1 4.23Å; L148-I152 WeakPolarHBondContact O-CB 3.36Å; L148-I152 WeakPolarHBondContact O-CD1 3.29Å; L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 3.46Å; Q149-I152 PolarHBondContact O-N 3.39Å; E150-I152 VanDerWaalsContact C-N 3.33Å; E150-I152 PolarHBondContact O-N 3.35Å; I152-M155 WeakPolarHBondContact O-CB 3.3Å; I152-M155 PolarHBondContact O-N 3.07Å; I152-L156 HydrophobicContact CG2-CD1 4.15Å; I152-L156 HydrophobicContact CG2-CG 4.45Å; I152-L156 VanDerWaalsContact O-CG 3.31Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.21Å
153V95.9Very high92.2Very high56 Ų5656.8 Ų56.834%0.33928%0.283SS..Hα-helixtrans-59.8-48.9173.9169.10000110.5Q149 E150 I151 M155 L156 D157Q149-V153 WeakPolarHBondContact O-CG2 3.48Å; Q149-V153 PolarHBondContact O-N 2.96Å; E150-V153 PolarHBondContact O-N 2.96Å; I151-V153 VanDerWaalsContact C-N 3.34Å; I151-V153 PolarHBondContact O-N 3.36Å; V153-M155 VanDerWaalsContact C-N 3.26Å; V153-M155 PolarHBondContact O-N 2.93Å; V153-L156 WeakPolarHBondContact O-CB 3.35Å; V153-L156 PolarHBondContact O-N 3.31Å; V153-D157 VanDerWaalsContact O-CG 3.27Å; V153-D157 PolarHBondContact O-N 3.32Å
154M97.1Very high90.6Very high47 Ų4755 Ų5523%0.23229%0.289CS..Hα-helixtrans-60.6-34.1176.7-68.1-175.67600113.3I90 H93 F94 E150 I151 Q158I90-M154 HydrophobicContact CD1-CB 4.27Å; I90-M154 HydrophobicContact CG1-CB 4.32Å; I90-M154 HydrophobicContact CG2-CB 4.43Å; I90-M154 HydrophobicContact CG2-SD 4.14Å; H93-M154 HydrophobicContact CB-CE 3.84Å; F94-M154 HydrophobicContact CD2-SD 4.37Å; F94-M154 HydrophobicContact CE2-SD 3.5Å; F94-M154 WeakPolarHBondContact CE2-SD 3.37Å; F94-M154 HydrophobicContact CZ-SD 3.85Å; E150-M154 WeakPolarHBondContact O-CG 3.24Å; E150-M154 PolarHBondContact O-N 2.76Å; I151-M154 PolarHBondContact O-N 2.94Å; M154-Q158 PolarHBondContact O-N 3.39Å
155M97.4Very high88.9Confident0 Ų061 Ų610%032%0.316CS..Hα-helixtrans-64.3-44.4173.3-65.9175.1171.600111F34 V36 L49 V85 M87 I90 A128 I130 I151 I152 V153 Q158 L159F34-M155 HydrophobicContact CE1-CB 4.02Å; F34-M155 HydrophobicContact CE1-SD 4.03Å; V36-M155 HydrophobicContact CG2-SD 4.37Å; L49-M155 HydrophobicContact CD2-CE 4.21Å; V85-M155 HydrophobicContact CG1-CB 4.26Å; V85-M155 HydrophobicContact CG1-CG 3.96Å; V85-M155 HydrophobicContact CG2-CB 4.25Å; M87-M155 HydrophobicContact CE-CE 3.95Å; M87-M155 HydrophobicContact SD-CE 3.68Å; I90-M155 HydrophobicContact CD1-CB 4.35Å; I90-M155 HydrophobicContact CD1-CG 3.55Å; A128-M155 HydrophobicContact CB-CE 3.91Å; A128-M155 HydrophobicContact CB-SD 3.71Å; I130-M155 HydrophobicContact CD1-CE 3.94Å; I130-M155 HydrophobicContact CG1-CE 4.04Å; I151-M155 HydrophobicContact CG2-CE 3.44Å; I151-M155 VanDerWaalsContact CG2-CE 3.44Å; I151-M155 HydrophobicContact CG2-CG 4.45Å; I151-M155 HydrophobicContact CG2-SD 4.16Å; I151-M155 VanDerWaalsContact O-CG 3.28Å; I151-M155 WeakPolarHBondContact O-CG 3.11Å; I151-M155 PolarHBondContact O-N 2.95Å; I152-M155 WeakPolarHBondContact O-CB 3.3Å; I152-M155 PolarHBondContact O-N 3.07Å; V153-M155 VanDerWaalsContact C-N 3.26Å; V153-M155 PolarHBondContact O-N 2.93Å; M155-Q158 PolarHBondContact O-N 2.87Å; M155-L159 WeakPolarHBondContact O-CG 3.41Å; M155-L159 PolarHBondContact O-N 3.04Å
156L95.5Very high87.2Confident22 Ų2261.8 Ų61.812%0.11533%0.325CS..Hα-helixtrans-67-37.6179.9-68.4172.6000112.1I5 F34 I152 V153 Q158 L159 E160I5-L156 HydrophobicContact CD1-CD1 3.6Å; I5-L156 HydrophobicContact CG1-CD1 4.35Å; I5-L156 HydrophobicContact CG2-CD1 4.48Å; F34-L156 HydrophobicContact CB-CD2 4.17Å; I152-L156 HydrophobicContact CG2-CD1 4.15Å; I152-L156 HydrophobicContact CG2-CG 4.45Å; I152-L156 VanDerWaalsContact O-CG 3.31Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.21Å; V153-L156 WeakPolarHBondContact O-CB 3.35Å; V153-L156 PolarHBondContact O-N 3.31Å; L156-Q158 PolarHBondContact O-N 3.17Å; L156-L159 HydrophobicContact CD2-CD1 4.06Å; L156-L159 WeakPolarHBondContact O-CB 3.24Å; L156-L159 PolarHBondContact O-N 2.92Å; L156-L159 VanDerWaalsContact O-N 3.12Å; L156-E160 PolarHBondContact O-N 3.03Å
157D95.3Very high84.9Confident79 Ų7966.7 Ų66.742%0.42234%0.343SS..Hα-helixtrans-60.6-44.8176.3-64.7-21.7000111V153 L159 E160 E161V153-D157 VanDerWaalsContact O-CG 3.27Å; V153-D157 PolarHBondContact O-N 3.32Å; D157-L159 PolarHBondContact O-N 3.37Å; D157-E160 PolarHBondContact O-N 3.47Å; D157-E161 PolarHBondContact O-N 2.83Å; D157-E161 VanDerWaalsContact O-N 3.13Å
158Q95.9Very high82.4Confident36 Ų3674.8 Ų74.817%0.16839%0.392CS..Hα-helixtrans-59.6-33175-71.6-174.919.200112.9N86 I90 M154 M155 L156 E160 V162N86-Q158 PolarHBondContact O-NE2 3.29Å; I90-Q158 VanDerWaalsContact CG1-NE2 3.31Å; M154-Q158 PolarHBondContact O-N 3.39Å; M155-Q158 PolarHBondContact O-N 2.87Å; L156-Q158 PolarHBondContact O-N 3.17Å; Q158-E160 VanDerWaalsContact C-N 3.3Å; Q158-E160 PolarHBondContact O-N 3.45Å; Q158-V162 VanDerWaalsContact O-CG2 3.27Å; Q158-V162 WeakPolarHBondContact O-CG2 3.46Å; Q158-V162 PolarHBondContact O-N 3.47Å
159L91.6Very high81.7Confident13 Ų1377.7 Ų77.77%0.06841%0.407CS..Hα-helixtrans-70-28177.1-61.5173.9000112.7F34 V84 V85 M155 L156 D157 K163F34-L159 HydrophobicContact CB-CD1 3.7Å; F34-L159 HydrophobicContact CD1-CD1 4.29Å; F34-L159 HydrophobicContact CD2-CD1 3.48Å; F34-L159 VanDerWaalsContact CD2-CD1 3.48Å; F34-L159 HydrophobicContact CD2-CD2 4.16Å; F34-L159 HydrophobicContact CD2-CG 4.38Å; F34-L159 HydrophobicContact CE2-CD1 4.12Å; F34-L159 HydrophobicContact CE2-CD2 4.2Å; F34-L159 HydrophobicContact CG-CD1 3.59Å; V84-L159 HydrophobicContact CG2-CD2 3.39Å; V85-L159 HydrophobicContact CG2-CD2 4.1Å; V85-L159 HydrophobicContact CG2-CG 4.45Å; M155-L159 WeakPolarHBondContact O-CG 3.41Å; M155-L159 PolarHBondContact O-N 3.04Å; L156-L159 HydrophobicContact CD2-CD1 4.06Å; L156-L159 WeakPolarHBondContact O-CB 3.24Å; L156-L159 PolarHBondContact O-N 2.92Å; L156-L159 VanDerWaalsContact O-N 3.12Å; D157-L159 PolarHBondContact O-N 3.37Å; L159-K163 WeakPolarHBondContact O-CG 3.28Å
160E88.1Confident80.9Confident105 Ų10577.6 Ų77.649%0.49141%0.41SS..Hα-helixtrans-78.3-38.8178.1-66.8-176.5-179.800110.9K33 L156 D157 Q158 V162 K163 C164K33-E160 IonicContact NZ-OE1 2.87Å; K33-E160 PolarHBondContact NZ-OE1 3.42Å; L156-E160 PolarHBondContact O-N 3.03Å; D157-E160 PolarHBondContact O-N 3.47Å; Q158-E160 VanDerWaalsContact C-N 3.3Å; Q158-E160 PolarHBondContact O-N 3.45Å; E160-V162 PolarHBondContact O-N 2.96Å; E160-K163 PolarHBondContact O-N 3.08Å; E160-C164 PolarHBondContact O-N 2.84Å
161E82.1Confident80Confident123 Ų12375.9 Ų75.958%0.57540%0.404SS*.Hα-helixtrans-60.6-44173.1-67.6178.317500112D157 K163 C164 H165D157-E161 PolarHBondContact O-N 2.83Å; D157-E161 VanDerWaalsContact O-N 3.13Å; E161-K163 VanDerWaalsContact C-N 3.27Å; E161-K163 PolarHBondContact O-N 3.32Å; E161-C164 PolarHBondContact O-N 3.26Å; E161-H165 PolarHBondContact O-N 3.08Å; E161-H165 PolarHBondContact O-ND1 3.39Å
162V73.8Confident79Confident83 Ų8380.4 Ų80.450%0.50343%0.428SS..Hα-helixtrans-61-35.7179.5171.60000111.9Q158 E160 H165 S166Q158-V162 VanDerWaalsContact O-CG2 3.27Å; Q158-V162 WeakPolarHBondContact O-CG2 3.46Å; Q158-V162 PolarHBondContact O-N 3.47Å; E160-V162 PolarHBondContact O-N 2.96Å; V162-H165 PolarHBondContact O-N 2.81Å; V162-S166 PolarHBondContact O-N 2.93Å; V162-S166 PolarHBondContact O-OG 3.14Å
163K63.7Low77.8Confident111 Ų11183 Ų8348%0.48344%0.442SS..Hα-helixtrans-65.2-46.2177.9-72.8-179.1178.8-165.50112.2L159 E160 E161 H165 S166 E167L159-K163 WeakPolarHBondContact O-CG 3.28Å; E160-K163 PolarHBondContact O-N 3.08Å; E161-K163 VanDerWaalsContact C-N 3.27Å; E161-K163 PolarHBondContact O-N 3.32Å; K163-H165 PolarHBondContact O-N 2.83Å; K163-S166 PolarHBondContact O-N 3.2Å; K163-S166 PolarHBondContact O-OG 2.9Å; K163-E167 PolarHBondContact O-N 2.89Å
164C59.5Low76.6Confident86 Ų8684.8 Ų84.858%0.58145%0.449SS*.Hα-helixtrans-58-34178.3-74.50000112.7E160 E161 T168E160-C164 PolarHBondContact O-N 2.84Å; E161-C164 PolarHBondContact O-N 3.26Å; C164-T168 PolarHBondContact O-OG1 3.15Å
165H58.8Low75.2Confident144 Ų14487.5 Ų87.567%0.66747%0.465SS*.Hα-helixtrans-82.3-14.9179.3-65.985.2000113.9E161 V162 K163E161-H165 PolarHBondContact O-N 3.08Å; E161-H165 PolarHBondContact O-ND1 3.39Å; V162-H165 PolarHBondContact O-N 2.81Å; K163-H165 PolarHBondContact O-N 2.83Å
166S58.7Low73.5Confident88 Ų8894.2 Ų94.262%0.61550%0.5SS*.Hα-helixtrans-90.3-10.2174.958.40000114V162 K163V162-S166 PolarHBondContact O-N 2.93Å; V162-S166 PolarHBondContact O-OG 3.14Å; K163-S166 PolarHBondContact O-N 3.2Å; K163-S166 PolarHBondContact O-OG 2.9Å
167E49.2Very low71.6Confident162 Ų162100.3 Ų100.376%0.75753%0.533SS*.  trans-107.510.7-178-65.5178.6164.300112.9K163K163-E167 PolarHBondContact O-N 2.89Å
168T42.7Very low69.5Low173 Ų173102.2 Ų102.2100%1.06154%0.543SS*.  trans-116.80174.438.80000111C164C164-T168 PolarHBondContact O-OG1 3.15Å

Retrieved 168 of 168 residues in 54.8 ms (Link to these results)

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