X2JCX8_DROME Loading...

Ribosomal protein S14b, isoform B

AlphaFold DB (C0HKA1), UniProt , Accession X2JCX8, Species DROME (Drosophila melanogaster, Fruit fly), Gene RpS14b, Length 151 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
1M55.5Low60.8Low245 Ų245171.8 Ų171.8100%1.20787%0.867SS**  0110.40-160.4171.1-176.900107.3
2A71.1Confident60.3Low91 Ų91171.7 Ų171.775%0.75286%0.861SS**  trans-72.8136.5-176.300000110.7R4A2-R4 PolarHBondContact O-N 3.25Å
3P68.5Low59.6Low124 Ų124167.5 Ų167.581%0.80585%0.849SS**  trans-66.5122.1177.626.3-31.5000109.6K5P3-K5 PolarHBondContact O-N 3.02Å; P3-K5 VanDerWaalsContact O-N 3.16Å
4R65.1Low59.4Low247 Ų247166.7 Ų166.793%0.93284%0.841SS**  trans-60.3114.9171.1-75.1177.9168.2174.5-3.8108.1A2 A6A2-R4 PolarHBondContact O-N 3.25Å; R4-A6 PolarHBondContact O-N 3.16Å
5K63.7Low59.2Low206 Ų206162.1 Ų162.190%0.89683%0.825SS**  trans-53.8111.3167.4-84-178.3174.8179.30108.4P3 K7P3-K5 PolarHBondContact O-N 3.02Å; P3-K5 VanDerWaalsContact O-N 3.16Å; K5-K7 PolarHBondContact O-N 3.3Å
6A60.8Low59.3Low91 Ų91163 Ų16375%0.75283%0.825SS**  trans-58.4124.7168.700000108.3R4 V8R4-A6 PolarHBondContact O-N 3.16Å; A6-V8 PolarHBondContact O-N 3.09Å; A6-V8 VanDerWaalsContact O-N 3.09Å
7K58.5Low60Low204 Ų204160.6 Ų160.689%0.88781%0.814SS**  trans-64.7109.6169.4-83.3-178.9174.6-179.40107.1K5 Q9K5-K7 PolarHBondContact O-N 3.3Å; K7-Q9 PolarHBondContact O-N 3.24Å; K7-Q9 VanDerWaalsContact O-N 3.11Å
8V59.6Low60.8Low132 Ų132154 Ų15480%0.879%0.793SS**  trans-59.4112.6165.5179.20000106.7A6 K10A6-V8 PolarHBondContact O-N 3.09Å; A6-V8 VanDerWaalsContact O-N 3.09Å; V8-K10 PolarHBondContact O-N 3.11Å; V8-K10 VanDerWaalsContact O-N 3.07Å
9Q56.9Low61.9Low183 Ų183149.8 Ų149.886%0.85578%0.776SS**  trans-64.7105.9168.5-71.8175.6-7.600106.4K7 E11K7-Q9 PolarHBondContact O-N 3.24Å; K7-Q9 VanDerWaalsContact O-N 3.11Å; Q9-E11 PolarHBondContact O-N 3.07Å
10K56Low63Low188 Ų188152.6 Ų152.682%0.81779%0.785SS**  trans-69.7111.2163.5-86-177.1173.6-176.40106.1V8 E12V8-K10 PolarHBondContact O-N 3.11Å; V8-K10 VanDerWaalsContact O-N 3.07Å; K10-E12 PolarHBondContact O-N 3.03Å
11E52.7Low64Low179 Ų179148 Ų14884%0.83676%0.764SS**  trans-60.7104.9160.9-73.8178.6161.100107.2Q9 V13Q9-E11 PolarHBondContact O-N 3.07Å; E11-V13 VanDerWaalsContact C-N 3.3Å; E11-V13 PolarHBondContact O-N 3.03Å
12E55.3Low65.4Low170 Ų170145.7 Ų145.779%0.79474%0.742SS**  trans-72.493.1166.8-71.3-176.1173.400107.1K10 Q14K10-E12 PolarHBondContact O-N 3.03Å; E12-Q14 VanDerWaalsContact C-N 3.29Å; E12-Q14 PolarHBondContact O-N 2.88Å
13V51.5Low66Low117 Ų117149.7 Ų149.771%0.70975%0.751SS**  trans-60.899.8163.8-177.50000106.1E11 V15E11-V13 VanDerWaalsContact C-N 3.3Å; E11-V13 PolarHBondContact O-N 3.03Å; V13-V15 HydrophobicContact CG1-CG2 3.88Å; V13-V15 PolarHBondContact O-N 2.8Å
14Q55.9Low66.7Low157 Ų157147.3 Ų147.373%0.73475%0.749SS**  trans-67.783.3168.4-75.2-175.1-9.200107.4E12 Q16E12-Q14 VanDerWaalsContact C-N 3.29Å; E12-Q14 PolarHBondContact O-N 2.88Å; Q14-Q16 VanDerWaalsContact C-N 3.31Å; Q14-Q16 PolarHBondContact O-N 2.84Å
15V56.6Low67.9Low98 Ų98140.7 Ų140.759%0.59473%0.729SS**  trans-65.7100.2166.5-166.60000105.5V13 L17V13-V15 HydrophobicContact CG1-CG2 3.88Å; V13-V15 PolarHBondContact O-N 2.8Å; V15-L17 HydrophobicContact CB-CG 4.41Å; V15-L17 HydrophobicContact CG1-CD1 4.08Å; V15-L17 HydrophobicContact CG1-CD2 4.17Å; V15-L17 HydrophobicContact CG1-CG 3.72Å; V15-L17 PolarHBondContact O-N 2.93Å
16Q60.5Low69.2Low176 Ų176134 Ų13482%0.82270%0.702SS**  trans-68.686.2171.8-75-176.1-8.700108.1Q14Q14-Q16 VanDerWaalsContact C-N 3.31Å; Q14-Q16 PolarHBondContact O-N 2.84Å
17L72.4Confident70.8Confident122 Ų122131 Ų13164%0.63967%0.674SS**  trans-91.495.6169.2-71.2165.3000107.1V15V15-L17 HydrophobicContact CB-CG 4.41Å; V15-L17 HydrophobicContact CG1-CD1 4.08Å; V15-L17 HydrophobicContact CG1-CD2 4.17Å; V15-L17 HydrophobicContact CG1-CG 3.72Å; V15-L17 PolarHBondContact O-N 2.93Å
18G73.9Confident72.6Confident42 Ų42124.9 Ų124.943%0.43365%0.648SS.*SBendtrans-159.4160.917700000110.7
19P81.7Confident74.3Confident74 Ų74118.7 Ų118.748%0.48161%0.61SS.*  trans-59.9143.2173.926.6-33.9000110.3V21 V27P19-V21 HydrophobicContact CB-CG2 3.79Å; P19-V21 HydrophobicContact CG-CG2 3.9Å; P19-V21 PolarHBondContact O-N 2.72Å; P19-V27 HydrophobicContact CG-CB 4.44Å; P19-V27 HydrophobicContact CG-CG1 3.9Å; P19-V27 HydrophobicContact CG-CG2 3.66Å
20Q82.7Confident76.2Confident205 Ų205110.2 Ų110.296%0.95857%0.571SS**  trans-77105.5172.6-66.31794.200108.3
21V84.9Confident78.2Confident57 Ų57101.3 Ų101.335%0.34553%0.532SS..  trans-124.7142.7-172.5-178.10000109.6P19 E25 V27P19-V21 HydrophobicContact CB-CG2 3.79Å; P19-V21 HydrophobicContact CG-CG2 3.9Å; P19-V21 PolarHBondContact O-N 2.72Å; V21-E25 HydrophobicContact CG1-CB 3.21Å; V21-E25 HydrophobicContact CG1-CG 4.37Å; V21-V27 HydrophobicContact CB-CG2 4.39Å; V21-V27 HydrophobicContact CG1-CG2 4.37Å; V21-V27 HydrophobicContact CG2-CG2 3.59Å
22R85.7Confident80.3Confident196 Ų19695.3 Ų95.374%0.7450%0.504SS*.  trans-72.9154176.7-66177.5178.1175.70.3110.5G24 E25R22-G24 PolarHBondContact O-N 3.26Å; R22-G24 VanDerWaalsContact O-N 3.15Å; R22-E25 PolarHBondContact O-N 3.23Å; R22-E25 VanDerWaalsContact O-N 3.11Å
23D82.1Confident82.3Confident175 Ų17587.3 Ų87.394%0.93647%0.467SS*.THydrogen-bonded Turntrans-56.8121.9173.3-67.4-31.7000110.5
24G84.4Confident84.5Confident74 Ų7484.4 Ų84.476%0.76344%0.443SS*.THydrogen-bonded Turntrans102.1-16.6179.700000115.3R22R22-G24 PolarHBondContact O-N 3.26Å; R22-G24 VanDerWaalsContact O-N 3.15Å
25E90.2Very high86.5Confident109 Ų10977 Ų7751%0.50941%0.409SS..  trans-77149174-81.1175.9-152.900111.6V21 R22V21-E25 HydrophobicContact CG1-CB 3.21Å; V21-E25 HydrophobicContact CG1-CG 4.37Å; R22-E25 PolarHBondContact O-N 3.23Å; R22-E25 VanDerWaalsContact O-N 3.11Å
26I91.7Very high88.4Confident65 Ų6572.9 Ų72.933%0.33339%0.385SS..  trans-112.4127.5-173.7-61.4175.1000108.9F28 T91 A92 K125I26-F28 HydrophobicContact CB-CD2 4.45Å; I26-F28 HydrophobicContact CB-CE2 4.03Å; I26-F28 HydrophobicContact CG2-CD2 3.91Å; I26-F28 HydrophobicContact CG2-CE1 4.46Å; I26-F28 HydrophobicContact CG2-CE2 3.61Å; I26-F28 HydrophobicContact CG2-CG 4.46Å; I26-F28 HydrophobicContact CG2-CZ 3.92Å; I26-T91 WeakPolarHBondContact CA-OG1 3.07Å; I26-A92 HydrophobicContact CG2-CB 3.13Å; I26-K125 HydrophobicContact CD1-CD 3.69Å; I26-K125 HydrophobicContact CG1-CD 4.2Å
27V94Very high90.1Very high29 Ų2969.5 Ų69.518%0.17637%0.368CS..  trans-94.5113.2174-178.60000107.6P19 V21 G89 I90 T91 A92P19-V27 HydrophobicContact CG-CB 4.44Å; P19-V27 HydrophobicContact CG-CG1 3.9Å; P19-V27 HydrophobicContact CG-CG2 3.66Å; V21-V27 HydrophobicContact CB-CG2 4.39Å; V21-V27 HydrophobicContact CG1-CG2 4.37Å; V21-V27 HydrophobicContact CG2-CG2 3.59Å; V27-G89 WeakPolarHBondContact CB-O 3.17Å; V27-G89 WeakPolarHBondContact CG2-O 3.42Å; V27-I90 HydrophobicContact CG1-CG1 4.43Å; V27-T91 PolarHBondContact N-OG1 3.09Å; V27-T91 PolarHBondContact O-N 3.12Å; V27-T91 VanDerWaalsContact O-N 3.11Å; V27-A92 PolarHBondContact O-N 3.4Å
28F94.9Very high91.2Very high75 Ų7569.7 Ų69.733%0.32937%0.369SS..EExtended strand (participates in β ladder)trans-89.9130179.7-79-85.8000111.9I26 L47 A92 H94I26-F28 HydrophobicContact CB-CD2 4.45Å; I26-F28 HydrophobicContact CB-CE2 4.03Å; I26-F28 HydrophobicContact CG2-CD2 3.91Å; I26-F28 HydrophobicContact CG2-CE1 4.46Å; I26-F28 HydrophobicContact CG2-CE2 3.61Å; I26-F28 HydrophobicContact CG2-CG 4.46Å; I26-F28 HydrophobicContact CG2-CZ 3.92Å; F28-L47 HydrophobicContact CB-CD2 3.94Å; F28-A92 CarbonylContact C-O 3.44Å; F28-A92 WeakPolarHBondContact CA-O 3.5Å; F28-A92 HydrophobicContact CD1-CB 3.57Å; F28-A92 HydrophobicContact CE1-CB 3.48Å; F28-A92 VanDerWaalsContact CE1-CB 3.48Å; F28-A92 HydrophobicContact CE2-CB 4.49Å; F28-A92 HydrophobicContact CG-CB 4.14Å; F28-A92 HydrophobicContact CZ-CB 3.98Å; F28-H94 AromaticContact CD1-CD2 3.65Å; F28-H94 AromaticContact CD1-CE1 3.81Å; F28-H94 AromaticContact CD1-NE2 3.34Å; F28-H94 VanDerWaalsContact CD1-NE2 3.34Å; F28-H94 WeakPolarHBondContact CD1-NE2 3.38Å; F28-H94 AromaticContact CE1-CE1 3.81Å; F28-H94 AromaticContact CE1-NE2 3.77Å; F28-H94 AromaticContact CG-NE2 3.82Å
29G95.7Very high92.3Very high1 Ų168.7 Ų68.71%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-109.5-180157.600000111.5T45 A92 L93 H94G29-T45 WeakPolarHBondContact CA-O 3.39Å; G29-A92 PolarHBondContact N-O 2.94Å; G29-L93 CarbonylContact O-C 3.59Å; G29-L93 WeakPolarHBondContact O-CA 3.49Å; G29-H94 PolarHBondContact O-N 3.38Å
30V97.3Very high93Very high6 Ų665.2 Ų65.24%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-120.2116.2174-174.20000109.4V44 T45 L47 H94 K96V30-V44 CarbonylContact O-C 3.58Å; V30-V44 VanDerWaalsContact O-CA 3.31Å; V30-V44 WeakPolarHBondContact O-CA 3.46Å; V30-T45 PolarHBondContact N-O 3.11Å; V30-T45 PolarHBondContact O-N 2.99Å; V30-T45 PolarHBondContact O-OG1 3.4Å; V30-L47 HydrophobicContact CG2-CD2 4.13Å; V30-H94 CarbonylContact C-O 3.57Å; V30-H94 WeakPolarHBondContact CA-O 3.47Å; V30-H94 HydrophobicContact CG1-CB 4.47Å; V30-H94 HydrophobicContact CG2-CB 4.29Å; V30-K96 HydrophobicContact CG1-CB 4.5Å; V30-K96 HydrophobicContact CG1-CD 3.8Å; V30-K96 HydrophobicContact CG1-CG 3.98Å
31A97.3Very high93.7Very high0 Ų058.8 Ų58.80%030%0.3CS..EExtended strand (participates in β ladder)trans-87.9104.5171.800000110.4I33 H43 V44 L93 H94 K96 L119A31-I33 PolarHBondContact O-N 3.42Å; A31-H43 CarbonylContact C-O 3.59Å; A31-H43 WeakPolarHBondContact CA-O 3.48Å; A31-V44 HydrophobicContact CB-CG2 4.06Å; A31-L93 HydrophobicContact CB-CB 4.2Å; A31-L93 HydrophobicContact CB-CD1 4.22Å; A31-H94 PolarHBondContact N-O 3.46Å; A31-K96 PolarHBondContact O-N 3Å; A31-L119 HydrophobicContact CB-CD1 4.22Å
32H97.9Very high94.3Very high53 Ų5356.1 Ų56.125%0.24528%0.284CS..EExtended strand (participates in β ladder)trans-80.9103.5167.1-62.3-89.7000109.4H43 T45 K96H32-H43 WeakPolarHBondContact CA-O 3.28Å; H32-H43 HydrophobicContact CB-CB 4.24Å; H32-H43 WeakPolarHBondContact CB-O 3.39Å; H32-H43 PolarHBondContact N-O 3.15Å; H32-H43 PolarHBondContact O-N 3.11Å; H32-T45 PolarHBondContact CD2-OG1 3.39Å; H32-T45 PolarHBondContact NE2-OG1 3.23Å; H32-K96 WeakPolarHBondContact CA-O 3.47Å
33I97.2Very high94.9Very high2 Ų248.8 Ų48.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-98.3103.5177.1-57.3179.3000108A31 F41 I95 K96 L97 R98 A115 L116 L119A31-I33 PolarHBondContact O-N 3.42Å; I33-F41 WeakPolarHBondContact CA-O 3.37Å; I33-I95 HydrophobicContact CD1-CG2 3.87Å; I33-I95 HydrophobicContact CG1-CG2 4.39Å; I33-K96 PolarHBondContact N-O 3.17Å; I33-L97 HydrophobicContact CB-CD1 4Å; I33-L97 HydrophobicContact CG2-CD1 3.81Å; I33-L97 CarbonylContact O-C 3.54Å; I33-R98 PolarHBondContact O-N 3.04Å; I33-A115 HydrophobicContact CD1-CB 4.43Å; I33-A115 HydrophobicContact CG2-CB 4.2Å; I33-L116 HydrophobicContact CD1-CB 4.31Å; I33-L119 HydrophobicContact CD1-CD1 4.06Å
34Y97.7Very high95.6Very high56 Ų5640.5 Ų40.522%0.2221%0.214CC..EExtended strand (participates in β ladder)trans-96.2111.9172.9172.5-103.7000109.8T40 F41 R98Y34-T40 CarbonylContact O-C 3.59Å; Y34-T40 WeakPolarHBondContact O-CA 2.94Å; Y34-F41 HydrophobicContact CD1-CB 4.49Å; Y34-F41 AromaticContact CD1-CD2 3.67Å; Y34-F41 HydrophobicContact CD1-CD2 3.67Å; Y34-F41 HydrophobicContact CD1-CE2 4.19Å; Y34-F41 HydrophobicContact CD1-CG 4.19Å; Y34-F41 HydrophobicContact CE1-CD2 4.36Å; Y34-F41 HydrophobicContact CE1-CE2 4.46Å; Y34-F41 PolarHBondContact N-O 3.44Å; Y34-F41 PolarHBondContact O-N 3.33Å; Y34-R98 CarbonylContact C-O 3.59Å; Y34-R98 WeakPolarHBondContact CA-O 3.25Å; Y34-R98 HydrophobicContact CD2-CB 4.19Å; Y34-R98 HydrophobicContact CD2-CG 3.94Å; Y34-R98 WeakPolarHBondContact CD2-O 3.49Å
35A97.1Very high96.2Very high1 Ų137 Ų371%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-115.6104.5-177.600000109.9R98 P108 G109 A112A35-R98 PolarHBondContact N-O 2.71Å; A35-P108 HydrophobicContact CB-CB 4.41Å; A35-G109 PolarHBondContact O-N 3.41Å; A35-A112 HydrophobicContact CB-CB 3.6Å
36S96.5Very high96.5Very high12 Ų1233.8 Ų33.88%0.08416%0.164CC..  trans-103173.4171.775.70000110.6N38 D39 G109S36-N38 PolarHBondContact O-N 3.15Å; S36-N38 PolarHBondContact OG-N 3.13Å; S36-D39 PolarHBondContact N-O 2.7Å; S36-D39 PolarHBondContact OG-N 3.21Å; S36-D39 PolarHBondContact OG-O 2.78Å; S36-G109 WeakPolarHBondContact O-CA 3.4Å
37F95.9Very high96.6Very high106 Ų10636.2 Ų36.247%0.46518%0.177SC..SBendtrans-73.8-11174.7-73.3-82000113.6A69 T105F37-A69 VanDerWaalsContact O-CB 3.25Å; F37-A69 WeakPolarHBondContact O-CB 3.42Å; F37-T105 HydrophobicContact CE2-CG2 4.11Å
38N96Very high96.7Very high126 Ų12638.3 Ų38.367%0.67419%0.193SC*.SBendtrans-113.5-27.1-175.9-64.22.3000112.9S36 E68 A69S36-N38 PolarHBondContact O-N 3.15Å; S36-N38 PolarHBondContact OG-N 3.13Å; N38-E68 VanDerWaalsContact O-CB 3.27Å; N38-E68 WeakPolarHBondContact O-CB 3.19Å; N38-A69 PolarHBondContact O-N 3.3Å
39D96.9Very high96.7Very high20 Ų2036.5 Ų36.511%0.10720%0.195CC..  trans-156.6162.2176.8-166.611000111S36 F41 G58 G59 E68S36-D39 PolarHBondContact N-O 2.7Å; S36-D39 PolarHBondContact OG-N 3.21Å; S36-D39 PolarHBondContact OG-O 2.78Å; D39-F41 HydrophobicContact CB-CE2 3.98Å; D39-F41 WeakPolarHBondContact OD2-CE2 3.37Å; D39-G58 PolarHBondContact OD1-N 3.28Å; D39-G59 PolarHBondContact OD1-N 2.92Å; D39-E68 HydrophobicContact CB-CB 4.23Å
40T97.3Very high96.6Very high1 Ų146.8 Ų46.81%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-126.8132.6179.156.30000110.4Y34 T57 G58 E68 A74Y34-T40 CarbonylContact O-C 3.59Å; Y34-T40 WeakPolarHBondContact O-CA 2.94Å; T40-T57 CarbonylContact O-C 3.6Å; T40-T57 VanDerWaalsContact O-CA 3.24Å; T40-T57 WeakPolarHBondContact O-CA 3.37Å; T40-G58 PolarHBondContact O-N 3.42Å; T40-E68 PolarHBondContact OG1-O 3.11Å; T40-A74 HydrophobicContact CG2-CB 4.22Å
41F97.8Very high96.5Very high71 Ų7153.3 Ų53.331%0.31126%0.264SS..EExtended strand (participates in β ladder)trans-119.8131.5-179-68.7-123.8000108.3I33 Y34 D39 T57I33-F41 WeakPolarHBondContact CA-O 3.37Å; Y34-F41 HydrophobicContact CD1-CB 4.49Å; Y34-F41 AromaticContact CD1-CD2 3.67Å; Y34-F41 HydrophobicContact CD1-CD2 3.67Å; Y34-F41 HydrophobicContact CD1-CE2 4.19Å; Y34-F41 HydrophobicContact CD1-CG 4.19Å; Y34-F41 HydrophobicContact CE1-CD2 4.36Å; Y34-F41 HydrophobicContact CE1-CE2 4.46Å; Y34-F41 PolarHBondContact N-O 3.44Å; Y34-F41 PolarHBondContact O-N 3.33Å; D39-F41 HydrophobicContact CB-CE2 3.98Å; D39-F41 WeakPolarHBondContact OD2-CE2 3.37Å; F41-T57 HydrophobicContact CD1-CG2 3.39Å; F41-T57 HydrophobicContact CD2-CG2 4.21Å; F41-T57 HydrophobicContact CE1-CG2 3.4Å; F41-T57 VanDerWaalsContact CE1-CG2 3.4Å; F41-T57 HydrophobicContact CE2-CG2 4.22Å; F41-T57 HydrophobicContact CG-CG2 3.79Å; F41-T57 HydrophobicContact CZ-CG2 3.82Å
42V97.3Very high96.5Very high0 Ų057.9 Ų57.90%029%0.292CS..EExtended strand (participates in β ladder)trans-114.2108.4169-172.40000106.7V56 A77 A78 V81 A115 L119V42-V56 PolarHBondContact N-O 3.14Å; V42-V56 PolarHBondContact O-N 3.47Å; V42-A77 HydrophobicContact CG2-CB 4.26Å; V42-A78 HydrophobicContact CG2-CB 4.35Å; V42-V81 HydrophobicContact CB-CG2 4.05Å; V42-V81 HydrophobicContact CG1-CB 4.03Å; V42-V81 HydrophobicContact CG1-CG1 3.98Å; V42-V81 HydrophobicContact CG1-CG2 3.9Å; V42-A115 HydrophobicContact CG2-CB 4Å; V42-L119 HydrophobicContact CG1-CD1 4.31Å; V42-L119 HydrophobicContact CG1-CD2 4.46Å
43H98Very high96.3Very high43 Ų4358 Ų5820%0.19929%0.294CS..EExtended strand (participates in β ladder)trans-124.6116-176.5178.7-143.3000109.8A31 H32 T45 T52 A54 R55A31-H43 CarbonylContact C-O 3.59Å; A31-H43 WeakPolarHBondContact CA-O 3.48Å; H32-H43 WeakPolarHBondContact CA-O 3.28Å; H32-H43 HydrophobicContact CB-CB 4.24Å; H32-H43 WeakPolarHBondContact CB-O 3.39Å; H32-H43 PolarHBondContact N-O 3.15Å; H32-H43 PolarHBondContact O-N 3.11Å; H43-T45 WeakPolarHBondContact CE1-CG2 3.1Å; H43-T52 WeakPolarHBondContact NE2-CB 3.44Å; H43-T52 WeakPolarHBondContact NE2-CG2 3.49Å; H43-A54 WeakPolarHBondContact CA-O 3.47Å; H43-A54 PolarHBondContact CD2-O 2.93Å; H43-R55 HydrophobicContact CB-CG 4.32Å
44V97Very high96.2Very high0 Ų058.3 Ų58.30%030%0.297CS..EExtended strand (participates in β ladder)trans-103.3130.4177.61770000109.8V30 A31 I53 A54 V81 I90 L93V30-V44 CarbonylContact O-C 3.58Å; V30-V44 VanDerWaalsContact O-CA 3.31Å; V30-V44 WeakPolarHBondContact O-CA 3.46Å; A31-V44 HydrophobicContact CB-CG2 4.06Å; V44-I53 HydrophobicContact CG1-CB 4.27Å; V44-I53 HydrophobicContact CG1-CD1 4.31Å; V44-I53 WeakPolarHBondContact O-CB 3.38Å; V44-I53 PolarHBondContact O-N 3.49Å; V44-A54 PolarHBondContact N-O 3.49Å; V44-A54 PolarHBondContact O-N 3.21Å; V44-V81 HydrophobicContact CB-CG1 4.19Å; V44-V81 HydrophobicContact CG2-CG1 3.37Å; V44-I90 HydrophobicContact CG1-CD1 4.45Å; V44-L93 HydrophobicContact CG1-CD2 3.61Å; V44-L93 HydrophobicContact CG2-CD1 4.2Å; V44-L93 HydrophobicContact CG2-CD2 4.07Å
45T97.4Very high96.1Very high1 Ų164 Ų641%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-124.3173.5175.961.60000110.9G29 V30 H32 H43 E51 T52G29-T45 WeakPolarHBondContact CA-O 3.39Å; V30-T45 PolarHBondContact N-O 3.11Å; V30-T45 PolarHBondContact O-N 2.99Å; V30-T45 PolarHBondContact O-OG1 3.4Å; H32-T45 PolarHBondContact CD2-OG1 3.39Å; H32-T45 PolarHBondContact NE2-OG1 3.23Å; H43-T45 WeakPolarHBondContact CE1-CG2 3.1Å; T45-E51 CarbonylContact C-O 3.49Å; T45-E51 WeakPolarHBondContact CA-O 3.43Å; T45-E51 VanDerWaalsContact CB-O 3.28Å; T45-E51 WeakPolarHBondContact CB-O 3.37Å; T45-T52 HydrophobicContact CG2-CG2 4.32Å
46D95.3Very high96.1Very high42 Ų4263.9 Ų63.923%0.22532%0.317CS..  trans-65.2176.4162.679.3-53000111.8S48 G49 R50 E51D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 2.7Å; D46-S48 PolarHBondContact OD1-OG 2.87Å; D46-S48 WeakPolarHBondContact OD2-CB 3.39Å; D46-S48 PolarHBondContact OD2-N 3.45Å; D46-S48 PolarHBondContact OD2-OG 3.49Å; D46-G49 PolarHBondContact O-N 3Å; D46-G49 VanDerWaalsContact O-N 3.12Å; D46-G49 PolarHBondContact OD1-N 3.4Å; D46-G49 VanDerWaalsContact OD1-N 3.12Å; D46-R50 PolarHBondContact OD1-N 3.09Å; D46-E51 HydrophobicContact CB-CB 4.43Å; D46-E51 PolarHBondContact N-O 3.22Å; D46-E51 PolarHBondContact OD1-N 2.96Å
47L94.7Very high96.1Very high115 Ų11564.2 Ų64.260%0.60232%0.319SS*.THydrogen-bonded Turntrans-63.6-30.8179.9-69.3177000113.4F28 V30 G49F28-L47 HydrophobicContact CB-CD2 3.94Å; V30-L47 HydrophobicContact CG2-CD2 4.13Å; L47-G49 VanDerWaalsContact C-N 3.27Å
48S95.7Very high96.1Very high73 Ų7359.2 Ų59.251%0.5130%0.297SS..THydrogen-bonded Turntrans-74.7-20.6176.979.50000112.6D46 R50D46-S48 VanDerWaalsContact C-N 3.28Å; D46-S48 VanDerWaalsContact CG-OG 3.29Å; D46-S48 PolarHBondContact O-N 2.7Å; D46-S48 PolarHBondContact OD1-OG 2.87Å; D46-S48 WeakPolarHBondContact OD2-CB 3.39Å; D46-S48 PolarHBondContact OD2-N 3.45Å; D46-S48 PolarHBondContact OD2-OG 3.49Å; S48-R50 VanDerWaalsContact C-N 3.27Å; S48-R50 WeakPolarHBondContact OG-CB 2.95Å; S48-R50 WeakPolarHBondContact OG-CG 3.4Å; S48-R50 PolarHBondContact OG-N 3.46Å
49G93.6Very high96.1Very high37 Ų3754.1 Ų54.138%0.38127%0.274SS..SBendtrans76.710.8-17500000114.1D46 L47D46-G49 PolarHBondContact O-N 3Å; D46-G49 VanDerWaalsContact O-N 3.12Å; D46-G49 PolarHBondContact OD1-N 3.4Å; D46-G49 VanDerWaalsContact OD1-N 3.12Å; L47-G49 VanDerWaalsContact C-N 3.27Å
50R95.1Very high96Very high218 Ų21859.2 Ų59.282%0.82330%0.299SS*.  trans-91.6-41.6-177.8-65.7179.9176.5-178.7-0.1111.9D46 S48D46-R50 PolarHBondContact OD1-N 3.09Å; S48-R50 VanDerWaalsContact C-N 3.27Å; S48-R50 WeakPolarHBondContact OG-CB 2.95Å; S48-R50 WeakPolarHBondContact OG-CG 3.4Å; S48-R50 PolarHBondContact OG-N 3.46Å
51E94.9Very high95.9Very high143 Ų14362.9 Ų62.967%0.66832%0.315SS*.SBendtrans-97.6124.3-178.4-70.6-167.2175.700110.6T45 D46T45-E51 CarbonylContact C-O 3.49Å; T45-E51 WeakPolarHBondContact CA-O 3.43Å; T45-E51 VanDerWaalsContact CB-O 3.28Å; T45-E51 WeakPolarHBondContact CB-O 3.37Å; D46-E51 HydrophobicContact CB-CB 4.43Å; D46-E51 PolarHBondContact N-O 3.22Å; D46-E51 PolarHBondContact OD1-N 2.96Å
52T96.4Very high95.9Very high96 Ų9660.9 Ų60.959%0.58931%0.308SS*.EExtended strand (participates in β ladder)trans-92126.5-178.365.20000110H43 T45H43-T52 WeakPolarHBondContact NE2-CB 3.44Å; H43-T52 WeakPolarHBondContact NE2-CG2 3.49Å; T45-T52 HydrophobicContact CG2-CG2 4.32Å
53I93.7Very high95.8Very high55 Ų5571.2 Ų71.228%0.28235%0.353SS..EExtended strand (participates in β ladder)trans-95.4-51.9-176.1-61.2176.9000109.1V44 L88 I90V44-I53 HydrophobicContact CG1-CB 4.27Å; V44-I53 HydrophobicContact CG1-CD1 4.31Å; V44-I53 WeakPolarHBondContact O-CB 3.38Å; V44-I53 PolarHBondContact O-N 3.49Å; I53-L88 HydrophobicContact CG2-CD1 3.37Å; I53-I90 HydrophobicContact CB-CD1 4.26Å; I53-I90 HydrophobicContact CD1-CD1 3.28Å; I53-I90 HydrophobicContact CD1-CG1 4.36Å; I53-I90 HydrophobicContact CG1-CD1 4.23Å; I53-I90 HydrophobicContact CG2-CD1 3.44Å; I53-I90 VanDerWaalsContact CG2-CD1 3.44Å
54A95Very high95.7Very high8 Ų870.7 Ų70.77%0.06636%0.357CS..EExtended strand (participates in β ladder)trans-148.5138.4178.300000110.4H43 V44 V81 K84H43-A54 WeakPolarHBondContact CA-O 3.47Å; H43-A54 PolarHBondContact CD2-O 2.93Å; V44-A54 PolarHBondContact N-O 3.49Å; V44-A54 PolarHBondContact O-N 3.21Å; A54-V81 HydrophobicContact CB-CG1 4.19Å; A54-V81 HydrophobicContact CB-CG2 4.43Å; A54-K84 HydrophobicContact CB-CB 4.05Å; A54-K84 HydrophobicContact CB-CD 4.17Å
55R96.8Very high95.6Very high175 Ų17577 Ų7766%0.6639%0.39SS*.EExtended strand (participates in β ladder)trans-135121.3176-172.6-179.668.7-169.1-0.1109.6H43H43-R55 HydrophobicContact CB-CG 4.32Å
56V97Very high95.5Very high0 Ų087.2 Ų87.20%043%0.429CS..EExtended strand (participates in β ladder)trans-138.6138.7177.5-174.50000108.6V42 M60 K61 A77 D80 V81V42-V56 PolarHBondContact N-O 3.14Å; V42-V56 PolarHBondContact O-N 3.47Å; V56-M60 HydrophobicContact CG1-CB 4.49Å; V56-M60 HydrophobicContact CG1-SD 4.46Å; V56-K61 HydrophobicContact CG1-CG 4.33Å; V56-A77 HydrophobicContact CB-CB 4.33Å; V56-A77 HydrophobicContact CG1-CB 3.78Å; V56-D80 HydrophobicContact CG2-CB 4.43Å; V56-D80 WeakPolarHBondContact CG2-OD2 3.38Å; V56-V81 HydrophobicContact CB-CG2 3.69Å; V56-V81 HydrophobicContact CG2-CG2 3.48Å; V56-V81 VanDerWaalsContact CG2-CG2 3.48Å
57T97.2Very high95.5Very high19 Ų1988 Ų8812%0.11743%0.433CS..EExtended strand (participates in β ladder)trans-110.5162.5175.174.80000111.1T40 F41 G59 M60T40-T57 CarbonylContact O-C 3.6Å; T40-T57 VanDerWaalsContact O-CA 3.24Å; T40-T57 WeakPolarHBondContact O-CA 3.37Å; F41-T57 HydrophobicContact CD1-CG2 3.39Å; F41-T57 HydrophobicContact CD2-CG2 4.21Å; F41-T57 HydrophobicContact CE1-CG2 3.4Å; F41-T57 VanDerWaalsContact CE1-CG2 3.4Å; F41-T57 HydrophobicContact CE2-CG2 4.22Å; F41-T57 HydrophobicContact CG-CG2 3.79Å; F41-T57 HydrophobicContact CZ-CG2 3.82Å; T57-G59 VanDerWaalsContact C-N 3.29Å; T57-M60 PolarHBondContact O-N 3.32Å; T57-M60 WeakPolarHBondContact OG1-CG 3.12Å; T57-M60 PolarHBondContact OG1-N 2.99Å
58G95.1Very high95.5Very high0 Ų085 Ų850%042%0.416CS..Hα-helixtrans-60.2-42.5172.200000111.1D39 T40 M60 K61 V62D39-G58 PolarHBondContact OD1-N 3.28Å; T40-G58 PolarHBondContact O-N 3.42Å; G58-M60 PolarHBondContact O-N 3.41Å; G58-K61 PolarHBondContact O-N 3.2Å; G58-V62 PolarHBondContact O-N 3.34Å
59G95Very high95.5Very high20 Ų2082 Ų8221%0.20640%0.395CS..Hα-helixtrans-63-20.7175.300000115.6D39 T57 K61D39-G59 PolarHBondContact OD1-N 2.92Å; T57-G59 VanDerWaalsContact C-N 3.29Å; G59-K61 VanDerWaalsContact C-N 3.29Å; G59-K61 PolarHBondContact O-N 3.09Å
60M95.7Very high95.7Very high126 Ų12681.4 Ų81.462%0.62139%0.385SS*.Hα-helixtrans-73-22.7171-69.3175.975.100113V56 T57 G58V56-M60 HydrophobicContact CG1-CB 4.49Å; V56-M60 HydrophobicContact CG1-SD 4.46Å; T57-M60 PolarHBondContact O-N 3.32Å; T57-M60 WeakPolarHBondContact OG1-CG 3.12Å; T57-M60 PolarHBondContact OG1-N 2.99Å; G58-M60 PolarHBondContact O-N 3.41Å
61K96Very high95.8Very high78 Ų7874.1 Ų74.134%0.33937%0.366SS..Hα-helixtrans-98.4-17.4-175-62.8-61.1178.8-174.80113.3V56 G58 G59 L76 A77 D80V56-K61 HydrophobicContact CG1-CG 4.33Å; G58-K61 PolarHBondContact O-N 3.2Å; G59-K61 VanDerWaalsContact C-N 3.29Å; G59-K61 PolarHBondContact O-N 3.09Å; K61-L76 HydrophobicContact CB-CB 3.95Å; K61-L76 HydrophobicContact CB-CD1 4.22Å; K61-L76 HydrophobicContact CD-CB 4.29Å; K61-L76 HydrophobicContact CG-CB 3.88Å; K61-A77 HydrophobicContact CG-CB 4.35Å; K61-D80 VanDerWaalsContact CE-OD2 3.28Å; K61-D80 WeakPolarHBondContact CE-OD2 3.42Å; K61-D80 IonicContact NZ-OD2 3Å; K61-D80 PolarHBondContact NZ-OD2 2.86Å
62V96.4Very high95.8Very high30 Ų3074.1 Ų74.118%0.18236%0.361CS..  trans-128.4138.6-177.8-176.50000109.2G58 A64 D67 A73G58-V62 PolarHBondContact O-N 3.34Å; V62-A64 HydrophobicContact CG1-CB 4.19Å; V62-D67 HydrophobicContact CG1-CB 3.68Å; V62-A73 HydrophobicContact CG2-CB 3.64Å
63K95.3Very high95.9Very high216 Ų21669.5 Ų69.594%0.93933%0.333SS*.SBendtrans-88.3-2.8-178.5-63.6-176178.9-178.70114
64A95.9Very high96Very high33 Ų3366.9 Ų66.927%0.27332%0.319SS..  trans-107.1118.6-176.400000109.8V62 R66 D67V62-A64 HydrophobicContact CG1-CB 4.19Å; A64-R66 HydrophobicContact CB-CG 4.44Å; A64-R66 PolarHBondContact O-N 3.02Å; A64-R66 VanDerWaalsContact O-N 3.09Å; A64-D67 HydrophobicContact CB-CB 4.34Å; A64-D67 PolarHBondContact O-N 3.31Å
65D94.9Very high96.1Very high132 Ų13269.3 Ų69.371%0.70633%0.33SS*.G310 helixtrans-55.5-31.8-176.1-53.7-17000113.3D67 E68D65-D67 VanDerWaalsContact C-N 3.27Å; D65-D67 PolarHBondContact O-N 3.04Å; D65-E68 WeakPolarHBondContact O-CG 3.3Å
66R95.4Very high96.1Very high216 Ų21663 Ų6382%0.81531%0.309SS*.G310 helixtrans-71.5-21.3179.568-176.9-179.3-167.3-3113.8A64A64-R66 HydrophobicContact CB-CG 4.44Å; A64-R66 PolarHBondContact O-N 3.02Å; A64-R66 VanDerWaalsContact O-N 3.09Å
67D94.9Very high96.1Very high58 Ų5863 Ų6331%0.3131%0.309SS..G310 helixtrans-104.43.4-170.7-65.7-43.9000112.4V62 A64 D65 A69 S70 A73V62-D67 HydrophobicContact CG1-CB 3.68Å; A64-D67 HydrophobicContact CB-CB 4.34Å; A64-D67 PolarHBondContact O-N 3.31Å; D65-D67 VanDerWaalsContact C-N 3.27Å; D65-D67 PolarHBondContact O-N 3.04Å; D67-A69 VanDerWaalsContact C-N 3.34Å; D67-A69 PolarHBondContact O-N 2.95Å; D67-S70 WeakPolarHBondContact O-CB 3.48Å; D67-S70 PolarHBondContact O-N 3Å; D67-S70 PolarHBondContact O-OG 3.36Å; D67-A73 WeakPolarHBondContact O-CB 3.41Å
68E96.1Very high96.1Very high53 Ų5362 Ų6225%0.24830%0.303CS..THydrogen-bonded Turntrans-61.4-38.3179.3-63.1-170.8159.200112.8N38 D39 T40 D65 S70N38-E68 VanDerWaalsContact O-CB 3.27Å; N38-E68 WeakPolarHBondContact O-CB 3.19Å; D39-E68 HydrophobicContact CB-CB 4.23Å; T40-E68 PolarHBondContact OG1-O 3.11Å; D65-E68 WeakPolarHBondContact O-CG 3.3Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.95Å
69A95.6Very high96.1Very high9 Ų966 Ų667%0.07432%0.322CS..THydrogen-bonded Turntrans-79.3-7.1174.300000113.9F37 N38 D67 P110F37-A69 VanDerWaalsContact O-CB 3.25Å; F37-A69 WeakPolarHBondContact O-CB 3.42Å; N38-A69 PolarHBondContact O-N 3.3Å; D67-A69 VanDerWaalsContact C-N 3.34Å; D67-A69 PolarHBondContact O-N 2.95Å; A69-P110 HydrophobicContact CB-CG 4.25Å; A69-P110 WeakPolarHBondContact O-CG 3.49Å
70S96.6Very high96.1Very high25 Ų2566.5 Ų66.518%0.17532%0.32CS..SBendtrans-61.9146.5-168.171.70000111.7D67 E68 Y72 A73 A74D67-S70 WeakPolarHBondContact O-CB 3.48Å; D67-S70 PolarHBondContact O-N 3Å; D67-S70 PolarHBondContact O-OG 3.36Å; E68-S70 VanDerWaalsContact C-N 3.27Å; E68-S70 PolarHBondContact O-N 2.95Å; S70-Y72 PolarHBondContact O-N 3.43Å; S70-Y72 VanDerWaalsContact O-N 3.12Å; S70-A73 PolarHBondContact O-N 2.95Å; S70-A73 VanDerWaalsContact O-N 3.14Å; S70-A73 VanDerWaalsContact OG-CB 3.31Å; S70-A73 WeakPolarHBondContact OG-CB 3.46Å; S70-A73 PolarHBondContact OG-N 2.99Å; S70-A73 VanDerWaalsContact OG-N 3.13Å; S70-A74 PolarHBondContact O-N 3.23Å; S70-A74 VanDerWaalsContact O-N 3.1Å
71P97Very high96.2Very high64 Ų6460.5 Ų60.542%0.41629%0.29SS..Hα-helixtrans-51.7-34.2173.4-32.239.2000113.8M75 P110 S114P71-M75 PolarHBondContact O-N 2.89Å; P71-M75 VanDerWaalsContact O-N 3.13Å; P71-P110 HydrophobicContact CG-CB 4.41Å; P71-S114 WeakPolarHBondContact CB-OG 3.42Å; P71-S114 WeakPolarHBondContact O-CB 3.31Å
72Y96.8Very high96.1Very high143 Ų14356.8 Ų56.856%0.56127%0.274SS*.Hα-helixtrans-71.5-45.3179.5-179.8-107.2000112S70 A74 M75 L76S70-Y72 PolarHBondContact O-N 3.43Å; S70-Y72 VanDerWaalsContact O-N 3.12Å; Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 3.48Å; Y72-M75 HydrophobicContact CD2-CE 3.69Å; Y72-M75 HydrophobicContact CE2-CE 3.71Å; Y72-M75 WeakPolarHBondContact O-CB 3.12Å; Y72-M75 PolarHBondContact O-N 3.12Å; Y72-L76 HydrophobicContact CD1-CD1 4.1Å; Y72-L76 HydrophobicContact CE1-CD1 3.49Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.49Å; Y72-L76 HydrophobicContact CE1-CG 4.25Å; Y72-L76 HydrophobicContact CE2-CD1 4.44Å; Y72-L76 HydrophobicContact CE2-CG 4.41Å; Y72-L76 PolarHBondContact O-N 3.37Å; Y72-L76 VanDerWaalsContact O-N 3.09Å
73A96.9Very high96Very high0 Ų061.8 Ų61.80%030%0.295CS..Hα-helixtrans-58.5-44.617500000111.6V62 D67 S70 M75 L76 A77V62-A73 HydrophobicContact CG2-CB 3.64Å; D67-A73 WeakPolarHBondContact O-CB 3.41Å; S70-A73 PolarHBondContact O-N 2.95Å; S70-A73 VanDerWaalsContact O-N 3.14Å; S70-A73 VanDerWaalsContact OG-CB 3.31Å; S70-A73 WeakPolarHBondContact OG-CB 3.46Å; S70-A73 PolarHBondContact OG-N 2.99Å; S70-A73 VanDerWaalsContact OG-N 3.13Å; A73-M75 VanDerWaalsContact C-N 3.33Å; A73-M75 PolarHBondContact O-N 3.42Å; A73-L76 PolarHBondContact O-N 3.49Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 2.97Å
74A97.1Very high95.9Very high0 Ų055.5 Ų55.50%027%0.268CS..Hα-helixtrans-62.1-38.2177.600000112.9T40 S70 Y72 A77 A78 G111 A115T40-A74 HydrophobicContact CG2-CB 4.22Å; S70-A74 PolarHBondContact O-N 3.23Å; S70-A74 VanDerWaalsContact O-N 3.1Å; Y72-A74 VanDerWaalsContact C-N 3.31Å; Y72-A74 PolarHBondContact O-N 3.48Å; A74-A77 PolarHBondContact O-N 3.23Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.48Å; A74-G111 WeakPolarHBondContact CB-O 3.31Å; A74-A115 HydrophobicContact CB-CB 4.26Å
75M96.9Very high95.8Very high58 Ų5853.9 Ų53.929%0.28626%0.255SS..Hα-helixtrans-63.3-48.3175.8-179.7-173.575.500111.4P71 Y72 A73 A77 A78 Q79 A118P71-M75 PolarHBondContact O-N 2.89Å; P71-M75 VanDerWaalsContact O-N 3.13Å; Y72-M75 HydrophobicContact CD2-CE 3.69Å; Y72-M75 HydrophobicContact CE2-CE 3.71Å; Y72-M75 WeakPolarHBondContact O-CB 3.12Å; Y72-M75 PolarHBondContact O-N 3.12Å; A73-M75 VanDerWaalsContact C-N 3.33Å; A73-M75 PolarHBondContact O-N 3.42Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 3.23Å; M75-A78 PolarHBondContact O-N 2.81Å; M75-Q79 WeakPolarHBondContact O-CG 3.39Å; M75-Q79 PolarHBondContact O-N 3.43Å; M75-A118 HydrophobicContact CB-CB 4.32Å; M75-A118 HydrophobicContact CG-CB 3.91Å
76L96.4Very high95.5Very high42 Ų4252.5 Ų52.522%0.2224%0.243CC..Hα-helixtrans-64.1-37.6178.5-67.2179.8000112.2K61 Y72 A73 D80K61-L76 HydrophobicContact CB-CB 3.95Å; K61-L76 HydrophobicContact CB-CD1 4.22Å; K61-L76 HydrophobicContact CD-CB 4.29Å; K61-L76 HydrophobicContact CG-CB 3.88Å; Y72-L76 HydrophobicContact CD1-CD1 4.1Å; Y72-L76 HydrophobicContact CE1-CD1 3.49Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.49Å; Y72-L76 HydrophobicContact CE1-CG 4.25Å; Y72-L76 HydrophobicContact CE2-CD1 4.44Å; Y72-L76 HydrophobicContact CE2-CG 4.41Å; Y72-L76 PolarHBondContact O-N 3.37Å; Y72-L76 VanDerWaalsContact O-N 3.09Å; A73-L76 PolarHBondContact O-N 3.49Å; L76-D80 PolarHBondContact O-N 3.48Å
77A96.7Very high95.3Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-64.2-45.3176.400000111.4V42 V56 K61 A73 A74 M75 D80 V81V42-A77 HydrophobicContact CG2-CB 4.26Å; V56-A77 HydrophobicContact CB-CB 4.33Å; V56-A77 HydrophobicContact CG1-CB 3.78Å; K61-A77 HydrophobicContact CG-CB 4.35Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 2.97Å; A74-A77 PolarHBondContact O-N 3.23Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 3.23Å; A77-D80 PolarHBondContact O-N 3.23Å; A77-V81 WeakPolarHBondContact O-CG2 3.35Å; A77-V81 PolarHBondContact O-N 2.99Å; A77-V81 VanDerWaalsContact O-N 3.09Å
78A96.7Very high95.1Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-63.8-39.2177.800000113.2V42 A74 M75 V81 A82 A115 A118 L119V42-A78 HydrophobicContact CG2-CB 4.35Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.48Å; M75-A78 PolarHBondContact O-N 2.81Å; A78-V81 PolarHBondContact O-N 3.36Å; A78-A82 WeakPolarHBondContact O-CB 3.34Å; A78-A82 PolarHBondContact O-N 2.87Å; A78-A115 HydrophobicContact CB-CB 4.41Å; A78-A115 WeakPolarHBondContact CB-O 3.47Å; A78-A118 HydrophobicContact CB-CB 3.6Å; A78-L119 HydrophobicContact CB-CD2 4.14Å; A78-L119 HydrophobicContact CB-CG 3.98Å; A78-L119 WeakPolarHBondContact O-CD2 3.47Å
79Q96.1Very high94.8Very high84 Ų8446.4 Ų46.439%0.39324%0.238SC..Hα-helixtrans-63.1-45.9176.8-75.1173.8-24.500112.1M75 V81 A82 E83M75-Q79 WeakPolarHBondContact O-CG 3.39Å; M75-Q79 PolarHBondContact O-N 3.43Å; Q79-V81 PolarHBondContact O-N 2.77Å; Q79-A82 PolarHBondContact O-N 2.69Å; Q79-E83 PolarHBondContact O-N 3.01Å
80D95.9Very high94.6Very high30 Ų3046.4 Ų46.416%0.1624%0.237CC..Hα-helixtrans-63.1-41.6177.3177.922.5000112V56 K61 L76 A77 A82 E83 K84V56-D80 HydrophobicContact CG2-CB 4.43Å; V56-D80 WeakPolarHBondContact CG2-OD2 3.38Å; K61-D80 VanDerWaalsContact CE-OD2 3.28Å; K61-D80 WeakPolarHBondContact CE-OD2 3.42Å; K61-D80 IonicContact NZ-OD2 3Å; K61-D80 PolarHBondContact NZ-OD2 2.86Å; L76-D80 PolarHBondContact O-N 3.48Å; A77-D80 PolarHBondContact O-N 3.23Å; D80-A82 VanDerWaalsContact C-N 3.35Å; D80-A82 PolarHBondContact O-N 3.13Å; D80-E83 PolarHBondContact O-N 3.42Å; D80-K84 VanDerWaalsContact CG-NZ 3.28Å; D80-K84 WeakPolarHBondContact O-CG 3.34Å; D80-K84 PolarHBondContact O-N 3.28Å; D80-K84 VanDerWaalsContact O-N 3.14Å; D80-K84 WeakPolarHBondContact OD1-CE 3.1Å; D80-K84 IonicContact OD1-NZ 2.7Å; D80-K84 PolarHBondContact OD1-NZ 2.86Å; D80-K84 IonicContact OD2-NZ 2.87Å; D80-K84 PolarHBondContact OD2-NZ 3.27Å
81V95.9Very high94.4Very high0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-62.4-43.7174170.50000111.1V42 V44 A54 V56 A77 A78 Q79 E83 K84 C85V42-V81 HydrophobicContact CB-CG2 4.05Å; V42-V81 HydrophobicContact CG1-CB 4.03Å; V42-V81 HydrophobicContact CG1-CG1 3.98Å; V42-V81 HydrophobicContact CG1-CG2 3.9Å; V44-V81 HydrophobicContact CB-CG1 4.19Å; V44-V81 HydrophobicContact CG2-CG1 3.37Å; A54-V81 HydrophobicContact CB-CG1 4.19Å; A54-V81 HydrophobicContact CB-CG2 4.43Å; V56-V81 HydrophobicContact CB-CG2 3.69Å; V56-V81 HydrophobicContact CG2-CG2 3.48Å; V56-V81 VanDerWaalsContact CG2-CG2 3.48Å; A77-V81 WeakPolarHBondContact O-CG2 3.35Å; A77-V81 PolarHBondContact O-N 2.99Å; A77-V81 VanDerWaalsContact O-N 3.09Å; A78-V81 PolarHBondContact O-N 3.36Å; Q79-V81 PolarHBondContact O-N 2.77Å; V81-E83 VanDerWaalsContact C-N 3.32Å; V81-E83 PolarHBondContact O-N 3.1Å; V81-K84 PolarHBondContact O-N 3.12Å; V81-C85 WeakPolarHBondContact O-CB 3.38Å; V81-C85 PolarHBondContact O-N 2.88Å; V81-C85 PolarHBondContact O-SG 2.92Å
82A95.6Very high94.4Very high0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-62.4-39.6179.700000112A78 Q79 D80 C85 K86 L119 M124A78-A82 WeakPolarHBondContact O-CB 3.34Å; A78-A82 PolarHBondContact O-N 2.87Å; Q79-A82 PolarHBondContact O-N 2.69Å; D80-A82 VanDerWaalsContact C-N 3.35Å; D80-A82 PolarHBondContact O-N 3.13Å; A82-C85 PolarHBondContact O-N 2.85Å; A82-K86 WeakPolarHBondContact O-CG 3.28Å; A82-K86 PolarHBondContact O-N 3.47Å; A82-L119 HydrophobicContact CB-CD2 4.28Å; A82-M124 HydrophobicContact CB-CE 4.07Å; A82-M124 HydrophobicContact CB-CG 4.15Å; A82-M124 WeakPolarHBondContact O-CE 3.26Å
83E94Very high94.4Very high134 Ų13438.2 Ų38.263%0.62620%0.199SC*.Hα-helixtrans-62.3-47.7176-170.3171.1-170.100111.8Q79 D80 V81 C85 K86 T87Q79-E83 PolarHBondContact O-N 3.01Å; D80-E83 PolarHBondContact O-N 3.42Å; V81-E83 VanDerWaalsContact C-N 3.32Å; V81-E83 PolarHBondContact O-N 3.1Å; E83-C85 VanDerWaalsContact C-N 3.34Å; E83-C85 PolarHBondContact O-N 3.41Å; E83-K86 WeakPolarHBondContact O-CB 3.37Å; E83-K86 PolarHBondContact O-N 3.49Å; E83-T87 PolarHBondContact O-N 3.14Å; E83-T87 VanDerWaalsContact O-N 3.15Å
84K92.9Very high94.4Very high84 Ų8440.2 Ų40.237%0.36521%0.209SC..Hα-helixtrans-61.7-39.2176.2-71.4168.8176.81530113.1A54 D80 V81 K86 T87 L88A54-K84 HydrophobicContact CB-CB 4.05Å; A54-K84 HydrophobicContact CB-CD 4.17Å; D80-K84 VanDerWaalsContact CG-NZ 3.28Å; D80-K84 WeakPolarHBondContact O-CG 3.34Å; D80-K84 PolarHBondContact O-N 3.28Å; D80-K84 VanDerWaalsContact O-N 3.14Å; D80-K84 WeakPolarHBondContact OD1-CE 3.1Å; D80-K84 IonicContact OD1-NZ 2.7Å; D80-K84 PolarHBondContact OD1-NZ 2.86Å; D80-K84 IonicContact OD2-NZ 2.87Å; D80-K84 PolarHBondContact OD2-NZ 3.27Å; V81-K84 PolarHBondContact O-N 3.12Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-T87 PolarHBondContact O-N 3.13Å; K84-T87 PolarHBondContact O-OG1 2.96Å; K84-L88 PolarHBondContact O-N 3.46Å
85C92.8Very high94.4Very high0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-65.5-37.8176.4-75.50000111.9V81 A82 E83 L88 G89 I90 M124V81-C85 WeakPolarHBondContact O-CB 3.38Å; V81-C85 PolarHBondContact O-N 2.88Å; V81-C85 PolarHBondContact O-SG 2.92Å; A82-C85 PolarHBondContact O-N 2.85Å; E83-C85 VanDerWaalsContact C-N 3.34Å; E83-C85 PolarHBondContact O-N 3.41Å; C85-L88 PolarHBondContact O-N 3.24Å; C85-G89 PolarHBondContact O-N 3.02Å; C85-I90 HydrophobicContact CB-CB 4.15Å; C85-I90 HydrophobicContact CB-CD1 4.22Å; C85-I90 PolarHBondContact O-N 2.99Å; C85-M124 HydrophobicContact CB-CE 3.32Å; C85-M124 HydrophobicContact CB-SD 4.48Å
86K90.3Very high94.4Very high103 Ų10340.8 Ų40.845%0.44821%0.21SC..Hα-helixtrans-63.7-41.4175.3-74.1176.7-176.4-1790112.1A82 E83 K84 L88 G89 S122 S123 M124A82-K86 WeakPolarHBondContact O-CG 3.28Å; A82-K86 PolarHBondContact O-N 3.47Å; E83-K86 WeakPolarHBondContact O-CB 3.37Å; E83-K86 PolarHBondContact O-N 3.49Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 2.88Å; K86-G89 PolarHBondContact O-N 2.89Å; K86-G89 VanDerWaalsContact O-N 3.13Å; K86-S122 WeakPolarHBondContact CE-O 3.42Å; K86-S122 PolarHBondContact NZ-O 2.91Å; K86-S123 PolarHBondContact NZ-OG 3.37Å; K86-M124 HydrophobicContact CG-CE 3.7Å
87T90.1Very high94.5Very high101 Ų10140.4 Ų40.462%0.6221%0.208SC*.Hα-helixtrans-63.4-24.4178.553.90000113.2E83 K84E83-T87 PolarHBondContact O-N 3.14Å; E83-T87 VanDerWaalsContact O-N 3.15Å; K84-T87 PolarHBondContact O-N 3.13Å; K84-T87 PolarHBondContact O-OG1 2.96Å
88L89.9Confident94.5Very high68 Ų6845.1 Ų45.136%0.35623%0.226SC..THydrogen-bonded Turntrans-974.1179.1-64.1171.3000113.5I53 K84 C85 K86I53-L88 HydrophobicContact CG2-CD1 3.37Å; K84-L88 PolarHBondContact O-N 3.46Å; C85-L88 PolarHBondContact O-N 3.24Å; K86-L88 PolarHBondContact O-N 2.88Å
89G90.2Very high94.5Very high29 Ų2945.1 Ų45.130%0.29923%0.226SC..THydrogen-bonded Turntrans80.514.6177.600000115.5V27 C85 K86V27-G89 WeakPolarHBondContact CB-O 3.17Å; V27-G89 WeakPolarHBondContact CG2-O 3.42Å; C85-G89 PolarHBondContact O-N 3.02Å; K86-G89 PolarHBondContact O-N 2.89Å; K86-G89 VanDerWaalsContact O-N 3.13Å
90I92.7Very high94.6Very high10 Ų1042.3 Ų42.35%0.05121%0.214CC..  trans-82.8123175.8-56.3163.3000108.9V27 V44 I53 C85 A92 L93V27-I90 HydrophobicContact CG1-CG1 4.43Å; V44-I90 HydrophobicContact CG1-CD1 4.45Å; I53-I90 HydrophobicContact CB-CD1 4.26Å; I53-I90 HydrophobicContact CD1-CD1 3.28Å; I53-I90 HydrophobicContact CD1-CG1 4.36Å; I53-I90 HydrophobicContact CG1-CD1 4.23Å; I53-I90 HydrophobicContact CG2-CD1 3.44Å; I53-I90 VanDerWaalsContact CG2-CD1 3.44Å; C85-I90 HydrophobicContact CB-CB 4.15Å; C85-I90 HydrophobicContact CB-CD1 4.22Å; C85-I90 PolarHBondContact O-N 2.99Å; I90-A92 WeakPolarHBondContact CG2-O 3.27Å; I90-L93 HydrophobicContact CG2-CD2 3.91Å
91T92.5Very high94.5Very high58 Ų5841.1 Ų41.136%0.35621%0.209SC..  trans-110.9-19.8-174.357.20000113.3I26 V27 K125I26-T91 WeakPolarHBondContact CA-OG1 3.07Å; V27-T91 PolarHBondContact N-OG1 3.09Å; V27-T91 PolarHBondContact O-N 3.12Å; V27-T91 VanDerWaalsContact O-N 3.11Å; T91-K125 PolarHBondContact O-N 3.25Å
92A95.3Very high94.5Very high1 Ų142.3 Ų42.31%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-136.2156.1174.400000113.9I26 V27 F28 G29 I90 K125I26-A92 HydrophobicContact CG2-CB 3.13Å; V27-A92 PolarHBondContact O-N 3.4Å; F28-A92 CarbonylContact C-O 3.44Å; F28-A92 WeakPolarHBondContact CA-O 3.5Å; F28-A92 HydrophobicContact CD1-CB 3.57Å; F28-A92 HydrophobicContact CE1-CB 3.48Å; F28-A92 VanDerWaalsContact CE1-CB 3.48Å; F28-A92 HydrophobicContact CE2-CB 4.49Å; F28-A92 HydrophobicContact CG-CB 4.14Å; F28-A92 HydrophobicContact CZ-CB 3.98Å; G29-A92 PolarHBondContact N-O 2.94Å; I90-A92 WeakPolarHBondContact CG2-O 3.27Å; A92-K125 CarbonylContact C-O 3.59Å; A92-K125 WeakPolarHBondContact CA-O 3.24Å; A92-K125 HydrophobicContact CB-CB 3.77Å; A92-K125 VanDerWaalsContact CB-O 3.3Å; A92-K125 WeakPolarHBondContact CB-O 3.17Å
93L96.7Very high94.4Very high0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-132127.2179.8-63.2173000110.6G29 A31 V44 I90 L119 M124 K125 G127G29-L93 CarbonylContact O-C 3.59Å; G29-L93 WeakPolarHBondContact O-CA 3.49Å; A31-L93 HydrophobicContact CB-CB 4.2Å; A31-L93 HydrophobicContact CB-CD1 4.22Å; V44-L93 HydrophobicContact CG1-CD2 3.61Å; V44-L93 HydrophobicContact CG2-CD1 4.2Å; V44-L93 HydrophobicContact CG2-CD2 4.07Å; I90-L93 HydrophobicContact CG2-CD2 3.91Å; L93-L119 HydrophobicContact CD1-CD1 4.43Å; L93-L119 HydrophobicContact CD1-CD2 4.17Å; L93-M124 HydrophobicContact CD1-CB 4.21Å; L93-M124 HydrophobicContact CD1-CG 4Å; L93-M124 HydrophobicContact CD1-SD 4.4Å; L93-K125 PolarHBondContact N-O 3.5Å; L93-G127 PolarHBondContact O-N 2.8Å
94H97.2Very high94.4Very high42 Ų4243.7 Ų43.719%0.19423%0.227CC..EExtended strand (participates in β ladder)trans-74.4139.1157.7-70.6-61.3000109.3F28 G29 V30 A31 R128F28-H94 AromaticContact CD1-CD2 3.65Å; F28-H94 AromaticContact CD1-CE1 3.81Å; F28-H94 AromaticContact CD1-NE2 3.34Å; F28-H94 VanDerWaalsContact CD1-NE2 3.34Å; F28-H94 WeakPolarHBondContact CD1-NE2 3.38Å; F28-H94 AromaticContact CE1-CE1 3.81Å; F28-H94 AromaticContact CE1-NE2 3.77Å; F28-H94 AromaticContact CG-NE2 3.82Å; G29-H94 PolarHBondContact O-N 3.38Å; V30-H94 CarbonylContact C-O 3.57Å; V30-H94 WeakPolarHBondContact CA-O 3.47Å; V30-H94 HydrophobicContact CG1-CB 4.47Å; V30-H94 HydrophobicContact CG2-CB 4.29Å; A31-H94 PolarHBondContact N-O 3.46Å; H94-R128 CarbonylContact C-O 3.54Å; H94-R128 PolarHBondContact ND1-N 3.23Å
95I97.2Very high94.5Very high1 Ų142.8 Ų42.81%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-106.4124-178.1-58.6-176.5000109.3I33 L116 I126 R128 I129 E130I33-I95 HydrophobicContact CD1-CG2 3.87Å; I33-I95 HydrophobicContact CG1-CG2 4.39Å; I95-L116 HydrophobicContact CD1-CD1 3.62Å; I95-L116 HydrophobicContact CD1-CG 3.63Å; I95-L116 HydrophobicContact CG2-CD1 4.3Å; I95-I126 HydrophobicContact CD1-CD1 4.08Å; I95-I126 HydrophobicContact CD1-CG1 4.47Å; I95-I126 HydrophobicContact CD1-CG2 3.55Å; I95-I126 HydrophobicContact CG1-CG2 4.07Å; I95-R128 PolarHBondContact N-O 2.79Å; I95-I129 HydrophobicContact CB-CB 4.49Å; I95-I129 HydrophobicContact CB-CG1 4.22Å; I95-I129 HydrophobicContact CB-CG2 4.28Å; I95-I129 HydrophobicContact CD1-CG1 4.33Å; I95-I129 HydrophobicContact CG2-CG2 4.31Å; I95-I129 WeakPolarHBondContact O-CA 3.39Å; I95-E130 PolarHBondContact O-N 3.02Å
96K97.6Very high94.7Very high69 Ų6947.4 Ų47.430%0.325%0.249SC..EExtended strand (participates in β ladder)trans-11297.5167.8-73.4-175.2176.7176.80108.4V30 A31 H32 I33 E130 V132V30-K96 HydrophobicContact CG1-CB 4.5Å; V30-K96 HydrophobicContact CG1-CD 3.8Å; V30-K96 HydrophobicContact CG1-CG 3.98Å; A31-K96 PolarHBondContact O-N 3Å; H32-K96 WeakPolarHBondContact CA-O 3.47Å; I33-K96 PolarHBondContact N-O 3.17Å; K96-E130 CarbonylContact C-O 3.52Å; K96-E130 WeakPolarHBondContact CA-O 3.47Å; K96-V132 HydrophobicContact CB-CG1 4.16Å; K96-V132 HydrophobicContact CB-CG2 3.85Å; K96-V132 HydrophobicContact CD-CG1 4.1Å; K96-V132 HydrophobicContact CG-CG1 4.03Å
97L97.1Very high94.9Very high35 Ų3547.1 Ų47.118%0.18326%0.255CS..EExtended strand (participates in β ladder)trans-80136.6177.3-174.665000109.5I33 P108 A112 E130 D131 V132I33-L97 HydrophobicContact CB-CD1 4Å; I33-L97 HydrophobicContact CG2-CD1 3.81Å; I33-L97 CarbonylContact O-C 3.54Å; L97-P108 HydrophobicContact CD2-CB 4.31Å; L97-P108 HydrophobicContact CD2-CG 3.91Å; L97-P108 HydrophobicContact CG-CG 4.4Å; L97-A112 HydrophobicContact CD1-CB 3.82Å; L97-E130 PolarHBondContact N-O 3.44Å; L97-D131 WeakPolarHBondContact O-CA 3.19Å; L97-V132 WeakPolarHBondContact O-CG2 3.17Å; L97-V132 PolarHBondContact O-N 2.9Å
98R97.8Very high95.2Very high99 Ų9944.3 Ų44.337%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-139.4119.6-177.7-171.8-179.6176-104.60.5110.7I33 Y34 A35 V132I33-R98 PolarHBondContact O-N 3.04Å; Y34-R98 CarbonylContact C-O 3.59Å; Y34-R98 WeakPolarHBondContact CA-O 3.25Å; Y34-R98 HydrophobicContact CD2-CB 4.19Å; Y34-R98 HydrophobicContact CD2-CG 3.94Å; Y34-R98 WeakPolarHBondContact CD2-O 3.49Å; A35-R98 PolarHBondContact N-O 2.71Å; R98-V132 HydrophobicContact CB-CG2 3.99Å; R98-V132 HydrophobicContact CG-CG2 4.4Å
99A97.4Very high95.5Very high0 Ų041.2 Ų41.20%022%0.224CC..  trans-81.2178.516400000111.2G101 K106 P108 T133A99-G101 VanDerWaalsContact C-N 3.32Å; A99-G101 PolarHBondContact O-N 3.12Å; A99-K106 WeakPolarHBondContact CB-O 3.44Å; A99-P108 HydrophobicContact CB-CB 4.49Å; A99-P108 HydrophobicContact CB-CG 4.27Å; A99-T133 HydrophobicContact CB-CG2 3.83Å; A99-T133 WeakPolarHBondContact CB-OG1 3.38Å; A99-T133 PolarHBondContact N-OG1 3.44Å
100T96.8Very high95.8Very high25 Ų2542.9 Ų42.915%0.15323%0.229CC..SBendtrans-57-46.1177.2-50.20000112K104T100-K104 HydrophobicContact CG2-CB 3.89Å; T100-K104 HydrophobicContact CG2-CD 3.47Å; T100-K104 VanDerWaalsContact CG2-CD 3.47Å; T100-K104 HydrophobicContact CG2-CG 4.31Å
101G95.3Very high95.9Very high4 Ų442.4 Ų42.44%0.04123%0.227CC..  trans61.9-161.7174.300000115.1A99 N103 K104 T105A99-G101 VanDerWaalsContact C-N 3.32Å; A99-G101 PolarHBondContact O-N 3.12Å; G101-N103 PolarHBondContact O-N 3.31Å; G101-K104 WeakPolarHBondContact O-CB 3.36Å; G101-K104 PolarHBondContact O-N 2.99Å; G101-K104 VanDerWaalsContact O-N 3.08Å; G101-T105 PolarHBondContact N-O 3.36Å
102G94.9Very high96.1Very high25 Ų2540.1 Ų40.126%0.25821%0.214SC..THydrogen-bonded Turntrans64.1-127.5-174.400000111.7K104 P134G102-K104 VanDerWaalsContact C-N 3.29Å; G102-P134 PolarHBondContact N-O 3.49Å
103N93.6Very high96.1Very high41 Ų4145.9 Ų45.922%0.21924%0.241CC..THydrogen-bonded Turntrans-86.35.5174.868.13.1000113.6G101 T140 R141 R142G101-N103 PolarHBondContact O-N 3.31Å; N103-T140 PolarHBondContact ND2-OG1 2.89Å; N103-R141 PolarHBondContact ND2-O 2.99Å; N103-R142 HydrophobicContact CB-CG 4.25Å; N103-R142 WeakPolarHBondContact O-CD 3.42Å; N103-R142 WeakPolarHBondContact O-CG 3.33Å
104K95Very high96.1Very high122 Ų12247.2 Ų47.253%0.5325%0.25SC..SBendtrans-104.2-159.7178.3-61178.8179.61740111T100 G101 G102T100-K104 HydrophobicContact CG2-CB 3.89Å; T100-K104 HydrophobicContact CG2-CD 3.47Å; T100-K104 VanDerWaalsContact CG2-CD 3.47Å; T100-K104 HydrophobicContact CG2-CG 4.31Å; G101-K104 WeakPolarHBondContact O-CB 3.36Å; G101-K104 PolarHBondContact O-N 2.99Å; G101-K104 VanDerWaalsContact O-N 3.08Å; G102-K104 VanDerWaalsContact C-N 3.29Å
105T94.4Very high96Very high65 Ų6545.2 Ų45.240%0.39924%0.241SC..  trans-70.5130-179.354.50000111.2F37 G101F37-T105 HydrophobicContact CE2-CG2 4.11Å; G101-T105 PolarHBondContact N-O 3.36Å
106K95.7Very high96Very high98 Ų9847.5 Ų47.543%0.42625%0.253SS..  trans-90.7-12.4176-59.3176.2-176178.60112.6A99 T133A99-K106 WeakPolarHBondContact CB-O 3.44Å; K106-T133 HydrophobicContact CB-CG2 4.26Å
107T96.3Very high95.9Very high96 Ų9650.2 Ų50.259%0.58926%0.261SS*.SBendtrans-75.5128.5175.1-46.20000109.8
108P95.8Very high95.9Very high42 Ų4248.8 Ų48.827%0.27325%0.254SS..PPolyproline II helixtrans-58.8145.8173.1-23.533.4000112A35 L97 A99 A112A35-P108 HydrophobicContact CB-CB 4.41Å; L97-P108 HydrophobicContact CD2-CB 4.31Å; L97-P108 HydrophobicContact CD2-CG 3.91Å; L97-P108 HydrophobicContact CG-CG 4.4Å; A99-P108 HydrophobicContact CB-CB 4.49Å; A99-P108 HydrophobicContact CB-CG 4.27Å; P108-A112 HydrophobicContact CB-CB 3.74Å
109G95.5Very high95.7Very high4 Ų444 Ų444%0.04124%0.236CC..PPolyproline II helixtrans-70.3171.7176.200000114.1A35 S36 G111 A112A35-G109 PolarHBondContact O-N 3.41Å; S36-G109 WeakPolarHBondContact O-CA 3.4Å; G109-G111 VanDerWaalsContact C-N 3.28Å; G109-G111 PolarHBondContact O-N 2.71Å; G109-A112 VanDerWaalsContact O-CB 3.31Å; G109-A112 WeakPolarHBondContact O-CB 3.5Å; G109-A112 PolarHBondContact O-N 2.91Å; G109-A112 VanDerWaalsContact O-N 3.11Å
110P96.2Very high95.6Very high63 Ų6346.3 Ų46.341%0.40926%0.255SS..THydrogen-bonded Turntrans-61.2-28.8-171.420.5-30.6000114.8A69 P71 A112A69-P110 HydrophobicContact CB-CG 4.25Å; A69-P110 WeakPolarHBondContact O-CG 3.49Å; P71-P110 HydrophobicContact CG-CB 4.41Å; P110-A112 VanDerWaalsContact C-N 3.31Å; P110-A112 PolarHBondContact O-N 3.4Å
111G95.4Very high95.6Very high0 Ų054.1 Ų54.10%028%0.282CS..Hα-helixtrans-77.4-7.7178.200000115.7A74 G109 Q113 S114 A115A74-G111 WeakPolarHBondContact CB-O 3.31Å; G109-G111 VanDerWaalsContact C-N 3.28Å; G109-G111 PolarHBondContact O-N 2.71Å; G111-Q113 PolarHBondContact O-N 2.86Å; G111-S114 PolarHBondContact O-N 3.42Å; G111-A115 WeakPolarHBondContact O-CB 3.41Å; G111-A115 PolarHBondContact O-N 2.87Å
112A96.1Very high95.5Very high11 Ų1154.9 Ų54.99%0.09129%0.287CS..Hα-helixtrans-54.9-55.9-178.300000112.8A35 L97 P108 G109 P110 S114 L116A35-A112 HydrophobicContact CB-CB 3.6Å; L97-A112 HydrophobicContact CD1-CB 3.82Å; P108-A112 HydrophobicContact CB-CB 3.74Å; G109-A112 VanDerWaalsContact O-CB 3.31Å; G109-A112 WeakPolarHBondContact O-CB 3.5Å; G109-A112 PolarHBondContact O-N 2.91Å; G109-A112 VanDerWaalsContact O-N 3.11Å; P110-A112 VanDerWaalsContact C-N 3.31Å; P110-A112 PolarHBondContact O-N 3.4Å; A112-S114 VanDerWaalsContact C-N 3.34Å; A112-S114 PolarHBondContact O-N 3.11Å; A112-L116 PolarHBondContact O-N 2.82Å
113Q96.2Very high95.2Very high121 Ų12158 Ų5857%0.56531%0.305SS*.Hα-helixtrans-67.2-38.5-177.2-166-153.5-69.700111.3G111 R117G111-Q113 PolarHBondContact O-N 2.86Å; Q113-R117 VanDerWaalsContact NE2-NH2 3.19Å; Q113-R117 VanDerWaalsContact O-CB 3.26Å; Q113-R117 WeakPolarHBondContact O-CB 3.31Å; Q113-R117 PolarHBondContact O-N 3.18Å
114S96Very high95.2Very high28 Ų2856.5 Ų56.520%0.19630%0.296CS..Hα-helixtrans-69.6-41.8-177.7-61.40000112.2P71 G111 A112 R117 A118P71-S114 WeakPolarHBondContact CB-OG 3.42Å; P71-S114 WeakPolarHBondContact O-CB 3.31Å; G111-S114 PolarHBondContact O-N 3.42Å; A112-S114 VanDerWaalsContact C-N 3.34Å; A112-S114 PolarHBondContact O-N 3.11Å; S114-R117 PolarHBondContact O-N 3.48Å; S114-A118 WeakPolarHBondContact O-CB 3.38Å; S114-A118 PolarHBondContact O-N 3.27Å
115A96.6Very high95.2Very high0 Ų056.3 Ų56.30%030%0.296CS..Hα-helixtrans-60.6-49173.900000111.6I33 V42 A74 A78 G111 R117 A118 L119I33-A115 HydrophobicContact CD1-CB 4.43Å; I33-A115 HydrophobicContact CG2-CB 4.2Å; V42-A115 HydrophobicContact CG2-CB 4Å; A74-A115 HydrophobicContact CB-CB 4.26Å; A78-A115 HydrophobicContact CB-CB 4.41Å; A78-A115 WeakPolarHBondContact CB-O 3.47Å; G111-A115 WeakPolarHBondContact O-CB 3.41Å; G111-A115 PolarHBondContact O-N 2.87Å; A115-R117 PolarHBondContact O-N 3.1Å; A115-A118 PolarHBondContact O-N 2.55Å; A115-L119 WeakPolarHBondContact O-CG 3.48Å; A115-L119 PolarHBondContact O-N 2.96Å
116L95.8Very high95.3Very high50 Ų5056 Ų5626%0.26229%0.291SS..Hα-helixtrans-59.7-47.4178.5-177152.6000111.7I33 I95 A112 A118 L119 A120 I129I33-L116 HydrophobicContact CD1-CB 4.31Å; I95-L116 HydrophobicContact CD1-CD1 3.62Å; I95-L116 HydrophobicContact CD1-CG 3.63Å; I95-L116 HydrophobicContact CG2-CD1 4.3Å; A112-L116 PolarHBondContact O-N 2.82Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.3Å; L116-L119 PolarHBondContact O-N 2.76Å; L116-A120 PolarHBondContact O-N 2.95Å; L116-A120 VanDerWaalsContact O-N 3.12Å; L116-I129 HydrophobicContact CD1-CD1 4.37Å
117R96.2Very high95.2Very high125 Ų12552.7 Ų52.747%0.47228%0.284SS..Hα-helixtrans-62.4-39.1178-177.2-179.6-71.9-172.6-4.3111.6Q113 S114 A115 A120 R121Q113-R117 VanDerWaalsContact NE2-NH2 3.19Å; Q113-R117 VanDerWaalsContact O-CB 3.26Å; Q113-R117 WeakPolarHBondContact O-CB 3.31Å; Q113-R117 PolarHBondContact O-N 3.18Å; S114-R117 PolarHBondContact O-N 3.48Å; A115-R117 PolarHBondContact O-N 3.1Å; R117-A120 PolarHBondContact O-N 3.32Å; R117-R121 WeakPolarHBondContact O-CB 3.36Å; R117-R121 WeakPolarHBondContact O-CG 3.44Å; R117-R121 PolarHBondContact O-N 3.39Å
118A96.1Very high95.2Very high5 Ų556.7 Ų56.74%0.04129%0.289CS..Hα-helixtrans-68.4-40.117900000112.3M75 A78 S114 A115 L116 R121 S122M75-A118 HydrophobicContact CB-CB 4.32Å; M75-A118 HydrophobicContact CG-CB 3.91Å; A78-A118 HydrophobicContact CB-CB 3.6Å; S114-A118 WeakPolarHBondContact O-CB 3.38Å; S114-A118 PolarHBondContact O-N 3.27Å; A115-A118 PolarHBondContact O-N 2.55Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.3Å; A118-R121 PolarHBondContact O-N 2.9Å; A118-S122 WeakPolarHBondContact O-CB 3.49Å; A118-S122 PolarHBondContact O-N 2.82Å; A118-S122 PolarHBondContact O-OG 2.6Å
119L95.2Very high95.3Very high0 Ų059.5 Ų59.50%030%0.3CS..Hα-helixtrans-59.4-47.7172.7-72.7173.6000111.3A31 I33 V42 A78 A82 L93 A115 L116 R121 S122 M124 I126A31-L119 HydrophobicContact CB-CD1 4.22Å; I33-L119 HydrophobicContact CD1-CD1 4.06Å; V42-L119 HydrophobicContact CG1-CD1 4.31Å; V42-L119 HydrophobicContact CG1-CD2 4.46Å; A78-L119 HydrophobicContact CB-CD2 4.14Å; A78-L119 HydrophobicContact CB-CG 3.98Å; A78-L119 WeakPolarHBondContact O-CD2 3.47Å; A82-L119 HydrophobicContact CB-CD2 4.28Å; L93-L119 HydrophobicContact CD1-CD1 4.43Å; L93-L119 HydrophobicContact CD1-CD2 4.17Å; A115-L119 WeakPolarHBondContact O-CG 3.48Å; A115-L119 PolarHBondContact O-N 2.96Å; L116-L119 PolarHBondContact O-N 2.76Å; L119-R121 PolarHBondContact O-N 2.92Å; L119-S122 PolarHBondContact O-N 2.85Å; L119-S122 VanDerWaalsContact O-N 3.11Å; L119-M124 PolarHBondContact O-N 2.9Å; L119-I126 HydrophobicContact CB-CD1 4.46Å
120A95.4Very high95.3Very high48 Ų4863.8 Ų63.840%0.39732%0.319SS..Hα-helixtrans-62-41178.200000112.5L116 R117 S122 I126L116-A120 PolarHBondContact O-N 2.95Å; L116-A120 VanDerWaalsContact O-N 3.12Å; R117-A120 PolarHBondContact O-N 3.32Å; A120-S122 VanDerWaalsContact C-N 3.26Å; A120-S122 PolarHBondContact O-N 3.37Å; A120-I126 HydrophobicContact CB-CD1 4.42Å; A120-I126 HydrophobicContact CB-CG1 3.99Å
121R95.3Very high95.4Very high188 Ų18865.8 Ų65.871%0.70933%0.326SS*.Hα-helixtrans-68-24.2175.5-75.9-179.6175.8178.2-4.1113.4R117 A118 L119 S123R117-R121 WeakPolarHBondContact O-CB 3.36Å; R117-R121 WeakPolarHBondContact O-CG 3.44Å; R117-R121 PolarHBondContact O-N 3.39Å; A118-R121 PolarHBondContact O-N 2.9Å; L119-R121 PolarHBondContact O-N 2.92Å; R121-S123 PolarHBondContact O-N 2.8Å
122S93.1Very high95.4Very high20 Ų2068.4 Ų68.414%0.1434%0.342CS..THydrogen-bonded Turntrans-85.323.6-179.6-54.10000113K86 A118 L119 A120 M124K86-S122 WeakPolarHBondContact CE-O 3.42Å; K86-S122 PolarHBondContact NZ-O 2.91Å; A118-S122 WeakPolarHBondContact O-CB 3.49Å; A118-S122 PolarHBondContact O-N 2.82Å; A118-S122 PolarHBondContact O-OG 2.6Å; L119-S122 PolarHBondContact O-N 2.85Å; L119-S122 VanDerWaalsContact O-N 3.11Å; A120-S122 VanDerWaalsContact C-N 3.26Å; A120-S122 PolarHBondContact O-N 3.37Å; S122-M124 VanDerWaalsContact C-N 3.28Å; S122-M124 PolarHBondContact O-N 2.92Å
123S89.8Confident95.5Very high92 Ų9268.3 Ų68.364%0.64334%0.341SS*.THydrogen-bonded Turntrans65.319.5178.5-32.90000115.6K86 R121K86-S123 PolarHBondContact NZ-OG 3.37Å; R121-S123 PolarHBondContact O-N 2.8Å
124M93.4Very high95.5Very high8 Ų864.9 Ų64.94%0.03933%0.329CS..PPolyproline II helixtrans-83.4127.7168.8-68-62.7173.500109.9A82 C85 K86 L93 L119 S122 I126A82-M124 HydrophobicContact CB-CE 4.07Å; A82-M124 HydrophobicContact CB-CG 4.15Å; A82-M124 WeakPolarHBondContact O-CE 3.26Å; C85-M124 HydrophobicContact CB-CE 3.32Å; C85-M124 HydrophobicContact CB-SD 4.48Å; K86-M124 HydrophobicContact CG-CE 3.7Å; L93-M124 HydrophobicContact CD1-CB 4.21Å; L93-M124 HydrophobicContact CD1-CG 4Å; L93-M124 HydrophobicContact CD1-SD 4.4Å; L119-M124 PolarHBondContact O-N 2.9Å; S122-M124 VanDerWaalsContact C-N 3.28Å; S122-M124 PolarHBondContact O-N 2.92Å; M124-I126 PolarHBondContact O-N 3.08Å
125K94.8Very high95.5Very high119 Ų11969.4 Ų69.452%0.51735%0.35SS..EExtended strand (participates in β ladder)trans-70.8127.1171.8-70.2-177.6179.3178.70109I26 T91 A92 L93I26-K125 HydrophobicContact CD1-CD 3.69Å; I26-K125 HydrophobicContact CG1-CD 4.2Å; T91-K125 PolarHBondContact O-N 3.25Å; A92-K125 CarbonylContact C-O 3.59Å; A92-K125 WeakPolarHBondContact CA-O 3.24Å; A92-K125 HydrophobicContact CB-CB 3.77Å; A92-K125 VanDerWaalsContact CB-O 3.3Å; A92-K125 WeakPolarHBondContact CB-O 3.17Å; L93-K125 PolarHBondContact N-O 3.5Å
126I95.7Very high95.4Very high58 Ų5871.4 Ų71.430%0.29736%0.363SS..EExtended strand (participates in β ladder)trans-90.3123.4179.4-55.4-48.3000109.1I95 L119 A120 M124 I129I95-I126 HydrophobicContact CD1-CD1 4.08Å; I95-I126 HydrophobicContact CD1-CG1 4.47Å; I95-I126 HydrophobicContact CD1-CG2 3.55Å; I95-I126 HydrophobicContact CG1-CG2 4.07Å; L119-I126 HydrophobicContact CB-CD1 4.46Å; A120-I126 HydrophobicContact CB-CD1 4.42Å; A120-I126 HydrophobicContact CB-CG1 3.99Å; M124-I126 PolarHBondContact O-N 3.08Å; I126-I129 HydrophobicContact CG2-CD1 4.04Å; I126-I129 HydrophobicContact CG2-CG1 4.01Å
127G94.7Very high95.4Very high28 Ų2875.8 Ų75.829%0.28940%0.398SS..EExtended strand (participates in β ladder)trans-89-139.217400000112L93L93-G127 PolarHBondContact O-N 2.8Å
128R96.4Very high95.3Very high181 Ų18176.9 Ų76.968%0.68341%0.413SS*.EExtended strand (participates in β ladder)trans-61.4141.1173.8-58.8-176.5-178.3178.51.7111.9H94 I95H94-R128 CarbonylContact C-O 3.54Å; H94-R128 PolarHBondContact ND1-N 3.23Å; I95-R128 PolarHBondContact N-O 2.79Å
129I96.8Very high95.1Very high101 Ų10179.3 Ų79.352%0.51843%0.429SS..EExtended strand (participates in β ladder)trans-117.5122.4175.9-54.4173.8000107.5I95 L116 I126I95-I129 HydrophobicContact CB-CB 4.49Å; I95-I129 HydrophobicContact CB-CG1 4.22Å; I95-I129 HydrophobicContact CB-CG2 4.28Å; I95-I129 HydrophobicContact CD1-CG1 4.33Å; I95-I129 HydrophobicContact CG2-CG2 4.31Å; I95-I129 WeakPolarHBondContact O-CA 3.39Å; L116-I129 HydrophobicContact CD1-CD1 4.37Å; I126-I129 HydrophobicContact CG2-CD1 4.04Å; I126-I129 HydrophobicContact CG2-CG1 4.01Å
130E97.1Very high95Very high94 Ų9484.2 Ų84.244%0.43946%0.46SS..EExtended strand (participates in β ladder)trans-130.4141.7-178.7-67.6174.1-175.400110I95 K96 L97I95-E130 PolarHBondContact O-N 3.02Å; K96-E130 CarbonylContact C-O 3.52Å; K96-E130 WeakPolarHBondContact CA-O 3.47Å; L97-E130 PolarHBondContact N-O 3.44Å
131D96.4Very high95Very high104 Ų10491.5 Ų91.556%0.55648%0.477SS*.EExtended strand (participates in β ladder)trans-90.4118.3167.5-1768.8000109.1L97 T133L97-D131 WeakPolarHBondContact O-CA 3.19Å; D131-T133 WeakPolarHBondContact OD1-CB 3.43Å; D131-T133 PolarHBondContact OD1-N 3.08Å; D131-T133 PolarHBondContact OD1-OG1 2.97Å
132V97Very high94.9Very high55 Ų5590.4 Ų90.433%0.33347%0.473SS..  trans-112.625.3178.2-590000111.4K96 L97 R98K96-V132 HydrophobicContact CB-CG1 4.16Å; K96-V132 HydrophobicContact CB-CG2 3.85Å; K96-V132 HydrophobicContact CD-CG1 4.1Å; K96-V132 HydrophobicContact CG-CG1 4.03Å; L97-V132 WeakPolarHBondContact O-CG2 3.17Å; L97-V132 PolarHBondContact O-N 2.9Å; R98-V132 HydrophobicContact CB-CG2 3.99Å; R98-V132 HydrophobicContact CG-CG2 4.4Å
133T97.2Very high94.7Very high10 Ų1099 Ų996%0.06151%0.508CS..  trans-56.1125.5172.1-64.30000109.5A99 K106 D131 I135A99-T133 HydrophobicContact CB-CG2 3.83Å; A99-T133 WeakPolarHBondContact CB-OG1 3.38Å; A99-T133 PolarHBondContact N-OG1 3.44Å; K106-T133 HydrophobicContact CB-CG2 4.26Å; D131-T133 WeakPolarHBondContact OD1-CB 3.43Å; D131-T133 PolarHBondContact OD1-N 3.08Å; D131-T133 PolarHBondContact OD1-OG1 2.97Å; T133-I135 PolarHBondContact O-N 3.43Å; T133-I135 VanDerWaalsContact O-N 3.08Å
134P97Very high94.7Very high49 Ų4996.7 Ų96.732%0.31850%0.498SS..  trans-67.3115-17823.1-29.8000110G102G102-P134 PolarHBondContact N-O 3.49Å
135I95.5Very high94.6Very high122 Ų12298.7 Ų98.763%0.62652%0.521SS*.  trans-106.7114176.7-63.1170.2000108T133T133-I135 PolarHBondContact O-N 3.43Å; T133-I135 VanDerWaalsContact O-N 3.08Å
136P94.7Very high94.4Very high43 Ų43104.7 Ų104.728%0.27954%0.54SS..  trans-78.4141.717832.9-34.6000110.9D138P136-D138 WeakPolarHBondContact CB-O 3.44Å
137S95.5Very high94.3Very high142 Ų142110.8 Ų110.899%0.99356%0.56SS**SBendtrans-60.7-46.9173.5-50.40000111.3
138D93.5Very high94.1Very high147 Ų147111.5 Ų111.579%0.78657%0.566SS**SBendtrans-135.9151.9160.9-168.18.5000108.2P136P136-D138 WeakPolarHBondContact CB-O 3.44Å
139S92Very high93.8Very high56 Ų56112.7 Ų112.739%0.39257%0.571SS.*  trans-107.2147.6-169.268.80000112.8
140T93.9Very high93.4Very high104 Ų104116.5 Ų116.564%0.63858%0.579SS**PPolyproline II helixtrans-68.4158.2164.4590000110.6N103 R142N103-T140 PolarHBondContact ND2-OG1 2.89Å; T140-R142 PolarHBondContact O-N 3.19Å
141R94.5Very high92.7Very high200 Ų200121.5 Ų121.576%0.75561%0.607SS**PPolyproline II helixtrans-49.2124.9177.8-173.8177.6-179.5178.11.6111.1N103N103-R141 PolarHBondContact ND2-O 2.99Å
142R93.5Very high92.5Very high166 Ų166122.4 Ų122.463%0.62661%0.61SS**PPolyproline II helixtrans-61.6150.7179.7-62.2-165.7175.9174.6-0.3111.6N103 T140 G144N103-R142 HydrophobicContact CB-CG 4.25Å; N103-R142 WeakPolarHBondContact O-CD 3.42Å; N103-R142 WeakPolarHBondContact O-CG 3.33Å; T140-R142 PolarHBondContact O-N 3.19Å; R142-G144 PolarHBondContact O-N 3.18Å
143K88.8Confident92.2Very high201 Ų201125.9 Ų125.987%0.87463%0.625SS**SBendtrans-68.497.7171.4-173179.1179.5179.90109.3
144G91.3Very high92Very high42 Ų42132.3 Ų132.343%0.43366%0.656SS.*SBendtrans172.2153.2178.600000110.4R142R142-G144 PolarHBondContact O-N 3.18Å
145G90.6Very high91.7Very high51 Ų51137.2 Ų137.253%0.52668%0.676SS.*BIsolated β-bridgetrans-64.1168.3169.600000110.7R147 G148G145-R147 PolarHBondContact O-N 2.87Å; G145-G148 PolarHBondContact O-N 3.04Å
146R91Very high91.4Very high245 Ų245138.2 Ų138.293%0.92568%0.679SS**THydrogen-bonded Turntrans-53.4-29171.7-177.2176.6177.11760.7112.3
147R92.5Very high91.2Very high186 Ų186144.5 Ų144.570%0.70271%0.706SS**THydrogen-bonded Turntrans-94.69.8179.4-58.5-174.5-79.8177.4-8.9113.5G145G145-R147 PolarHBondContact O-N 2.87Å
148G90.4Very high90.9Very high42 Ų42144.7 Ų144.743%0.43369%0.685SS.*BIsolated β-bridgetrans73.6-166.9-178.600000114.5G145G145-G148 PolarHBondContact O-N 3.04Å
149R89.9Confident90.7Very high207 Ų207144.5 Ų144.578%0.78168%0.677SS**  trans-87.8123.2168.9-177.6175.5-178.8-111.79107.6
150R88.3Confident90.6Very high181 Ų181151.9 Ų151.968%0.68370%0.701SS**  trans-101.724.6-172-67.2-179.5153.3-152.4-16.6113.6
151L82.3Confident90.3Very high198 Ų198156.3 Ų156.3100%1.03771%0.707SS**  trans-117.80176.7-65.9171.4000108.2

Retrieved 151 of 151 residues in 67.2 ms (Link to these results)