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7-cyano-7-deazaguanine synthase

Catalyzes the ATP-dependent conversion of 7-carboxy-7-deazaguanine (CDG) to 7-cyano-7-deazaguanine (preQ(0)).

AlphaFold DB , UniProt , Accession Q2G1X6, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene queC, Length 222 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
1M47Very low86.9Confident240 Ų24080.3 Ų80.3100%1.18243%0.426SS*.  0106.60-148179.7-61.900105S3M1-S3 PolarHBondContact O-N 3.04Å
2E61.2Low87.9Confident148 Ų14873.6 Ų73.669%0.69239%0.391SS*.  trans-64119-173-149.1152.3-140.500108.3V4E2-V4 PolarHBondContact O-N 3.24Å
3S73.2Confident88.7Confident92 Ų9269.6 Ų69.664%0.64337%0.371SS*.  trans-66114.1-176.6590000108.8M1 K154M1-S3 PolarHBondContact O-N 3.04Å; S3-K154 PolarHBondContact O-NZ 3.4Å
4V89.7Confident89.4Confident137 Ų13765 Ų6583%0.8335%0.346SS*.  trans-71.3140171.6-177.10000107.9E2E2-V4 PolarHBondContact O-N 3.24Å
5L96.4Very high89.7Confident16 Ų1664.4 Ų64.48%0.08435%0.349CS..  trans-63.2145.1174.5-62.7176.5000110.4N7 K119 K154 F156L5-N7 PolarHBondContact O-N 3.28Å; L5-K119 HydrophobicContact CB-CB 3.78Å; L5-K119 HydrophobicContact CB-CG 4.23Å; L5-K154 HydrophobicContact CD1-CB 3.62Å; L5-K154 HydrophobicContact CD1-CG 4.15Å; L5-K154 HydrophobicContact CD2-CG 4.44Å; L5-K154 HydrophobicContact CG-CB 4.1Å; L5-K154 HydrophobicContact CG-CD 4.18Å; L5-K154 HydrophobicContact CG-CG 4.18Å; L5-F156 HydrophobicContact CD1-CD1 3.58Å; L5-F156 HydrophobicContact CD1-CD2 4.4Å; L5-F156 HydrophobicContact CD1-CE1 3.33Å; L5-F156 HydrophobicContact CD1-CE2 4.19Å; L5-F156 HydrophobicContact CD1-CG 4.12Å; L5-F156 HydrophobicContact CD1-CZ 3.67Å; L5-F156 HydrophobicContact CD2-CE1 4.45Å
6N97Very high90.1Very high55 Ų5560.4 Ų60.429%0.29433%0.327SS..EExtended strand (participates in β ladder)trans-72.5115.3179.2-176.1-5.7000110.5E8 K9 G117 K119N6-E8 PolarHBondContact O-N 3.05Å; N6-E8 PolarHBondContact OD1-N 3.32Å; N6-K9 HydrophobicContact CB-CB 3.89Å; N6-K9 PolarHBondContact O-N 2.92Å; N6-G117 VanDerWaalsContact CB-O 3.3Å; N6-G117 WeakPolarHBondContact CB-O 3.34Å; N6-G117 PolarHBondContact N-O 3.39Å; N6-K119 WeakPolarHBondContact O-CB 3.3Å; N6-K119 PolarHBondContact O-N 2.86Å
7N97.1Very high90.4Very high89 Ų8957.3 Ų57.348%0.47631%0.313SS..EExtended strand (participates in β ladder)trans-71.8-6.1178.8-165.587.4000113.5L5 K119 H120L5-N7 PolarHBondContact O-N 3.28Å; N7-K119 HydrophobicContact CB-CD 4.01Å; N7-K119 WeakPolarHBondContact OD1-CD 3.3Å; N7-K119 WeakPolarHBondContact OD1-CE 3.2Å; N7-K119 PolarHBondContact OD1-NZ 3.44Å; N7-H120 PolarHBondContact O-CD2 3.31Å; N7-H120 PolarHBondContact O-NE2 3.02Å
8E98Very high90.8Very high86 Ų8654.2 Ų54.240%0.40230%0.296SS..EExtended strand (participates in β ladder)trans-105.94.9176-52-166.5114.300112.3N6 K32 E33N6-E8 PolarHBondContact O-N 3.05Å; N6-E8 PolarHBondContact OD1-N 3.32Å; E8-K32 HydrophobicContact CB-CB 4.1Å; E8-K32 HydrophobicContact CB-CD 4.28Å; E8-K32 HydrophobicContact CB-CG 4.19Å; E8-K32 VanDerWaalsContact CD-CE 3.46Å; E8-K32 PolarHBondContact O-N 3.35Å; E8-K32 WeakPolarHBondContact OE1-CE 3.37Å; E8-K32 IonicContact OE1-NZ 2.8Å; E8-K32 PolarHBondContact OE1-NZ 2.95Å; E8-K32 WeakPolarHBondContact OE2-CD 3.47Å; E8-K32 WeakPolarHBondContact OE2-CE 3.28Å; E8-K32 IonicContact OE2-NZ 2.74Å; E8-K32 PolarHBondContact OE2-NZ 3.47Å; E8-E33 PolarHBondContact O-N 3.33Å; E8-E33 VanDerWaalsContact O-N 3.07Å
9K98.6Very high91.1Very high20 Ų2053.5 Ų53.59%0.08729%0.292CS..EExtended strand (participates in β ladder)trans-115.6132-177.2-171.9172.5-169.91670112.7N6 E33 E35 I116 A118 K119 H120N6-K9 HydrophobicContact CB-CB 3.89Å; N6-K9 PolarHBondContact O-N 2.92Å; K9-E33 CarbonylContact C-O 3.5Å; K9-E33 VanDerWaalsContact CA-O 3.32Å; K9-E33 WeakPolarHBondContact CA-O 3.46Å; K9-E33 HydrophobicContact CB-CB 3.99Å; K9-E33 HydrophobicContact CD-CB 4.25Å; K9-E33 WeakPolarHBondContact CD-OE2 3.3Å; K9-E33 HydrophobicContact CG-CB 3.74Å; K9-E33 IonicContact NZ-OE2 2.79Å; K9-E35 WeakPolarHBondContact CE-OE1 3.44Å; K9-E35 IonicContact NZ-OE1 2.69Å; K9-E35 PolarHBondContact NZ-OE1 2.91Å; K9-I116 WeakPolarHBondContact CE-O 3.28Å; K9-I116 PolarHBondContact NZ-O 2.9Å; K9-A118 HydrophobicContact CB-CB 4.36Å; K9-A118 HydrophobicContact CD-CB 4.18Å; K9-A118 HydrophobicContact CG-CB 3.83Å; K9-K119 PolarHBondContact O-N 3.07Å; K9-H120 PolarHBondContact O-N 3.22Å
10A98.8Very high91.5Very high0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-125146.2177.400000112.9F31 E33 V34 E35 H120 I122A10-F31 HydrophobicContact CB-CB 4.16Å; A10-F31 HydrophobicContact CB-CD1 4.27Å; A10-F31 HydrophobicContact CB-CD2 3.69Å; A10-F31 HydrophobicContact CB-CE2 4.18Å; A10-F31 HydrophobicContact CB-CG 3.75Å; A10-E33 PolarHBondContact N-O 2.87Å; A10-V34 WeakPolarHBondContact O-CA 3.4Å; A10-E35 PolarHBondContact O-N 2.83Å; A10-H120 CarbonylContact C-O 3.6Å; A10-H120 VanDerWaalsContact CA-O 3.23Å; A10-H120 WeakPolarHBondContact CA-O 3.4Å; A10-H120 HydrophobicContact CB-CB 3.86Å; A10-I122 HydrophobicContact CB-CD1 3.76Å; A10-I122 HydrophobicContact CB-CG1 4.34Å
11I98.8Very high91.8Very high0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans-105.8134.2161.8-172.477.4000108.7E35 V37 L112 A113 I116 H120 I121 I122I11-E35 WeakPolarHBondContact CA-O 3.44Å; I11-E35 HydrophobicContact CD1-CB 3.77Å; I11-V37 HydrophobicContact CD1-CB 4.08Å; I11-V37 HydrophobicContact CD1-CG1 4.26Å; I11-V37 HydrophobicContact CG1-CB 4.12Å; I11-V37 HydrophobicContact CG1-CG1 3.74Å; I11-L112 HydrophobicContact CD1-CD2 4.09Å; I11-A113 HydrophobicContact CG2-CB 3.87Å; I11-I116 HydrophobicContact CB-CD1 4.31Å; I11-I116 HydrophobicContact CD1-CD1 3.93Å; I11-H120 PolarHBondContact N-O 3.49Å; I11-I121 HydrophobicContact CG2-CB 4.2Å; I11-I121 HydrophobicContact CG2-CG1 3.84Å; I11-I121 HydrophobicContact CG2-CG2 4.19Å; I11-I121 CarbonylContact O-C 3.59Å; I11-I121 WeakPolarHBondContact O-CA 3.49Å; I11-I122 PolarHBondContact O-N 2.91Å
12V98.9Very high94.2Very high0 Ų037.4 Ų37.40%021%0.211CC..EExtended strand (participates in β ladder)trans-106.2125175.2-174.30000109.5F14 C23 A27 V34 E35 L36 V37 I122V12-F14 PolarHBondContact O-N 3.13Å; V12-C23 HydrophobicContact CG1-CB 4.04Å; V12-A27 HydrophobicContact CG2-CB 3.57Å; V12-V34 HydrophobicContact CG2-CG1 3.79Å; V12-E35 PolarHBondContact N-O 3.39Å; V12-L36 HydrophobicContact CB-CD2 3.67Å; V12-L36 HydrophobicContact CG1-CD2 4.36Å; V12-L36 HydrophobicContact CG2-CD2 4.14Å; V12-V37 PolarHBondContact O-N 3.24Å; V12-I122 WeakPolarHBondContact CA-O 3.31Å; V12-I122 HydrophobicContact CG1-CB 4.47Å; V12-I122 HydrophobicContact CG2-CB 4.19Å; V12-I122 HydrophobicContact CG2-CD1 4.15Å
13V98.5Very high96Very high22 Ų2230.3 Ų30.313%0.13318%0.178CC..EExtended strand (participates in β ladder)trans-69.7112167.2177.50000108.1V37 F39 A109 I122V13-V37 HydrophobicContact CG2-CG1 4.2Å; V13-F39 HydrophobicContact CG1-CD2 4.17Å; V13-F39 HydrophobicContact CG1-CE2 3.78Å; V13-F39 HydrophobicContact CG2-CE2 4.3Å; V13-A109 HydrophobicContact CG2-CB 3.87Å; V13-I122 PolarHBondContact N-O 3.36Å
14F98Very high97.3Very high5 Ų526 Ų262%0.02215%0.147CC..  trans-126.9135.3-161.4-169.5-118.7000112.3V12 S20 T21 L24 L36 V37 T38 A52 I55V12-F14 PolarHBondContact O-N 3.13Å; F14-S20 WeakPolarHBondContact CD2-OG 3.4Å; F14-T21 WeakPolarHBondContact CE2-OG1 3.21Å; F14-L24 HydrophobicContact CE2-CB 4.39Å; F14-L24 HydrophobicContact CE2-CD2 4.34Å; F14-L24 HydrophobicContact CZ-CD2 4.41Å; F14-L36 HydrophobicContact CB-CB 4.22Å; F14-L36 HydrophobicContact CB-CD2 4.1Å; F14-L36 HydrophobicContact CD1-CB 4.37Å; F14-L36 HydrophobicContact CD1-CD1 3.75Å; F14-L36 HydrophobicContact CD1-CD2 4.48Å; F14-L36 HydrophobicContact CD1-CG 4.43Å; F14-L36 HydrophobicContact CD2-CD2 4.42Å; F14-L36 HydrophobicContact CE1-CD1 3.97Å; F14-L36 HydrophobicContact CG-CB 4.49Å; F14-L36 HydrophobicContact CG-CD1 4.18Å; F14-L36 HydrophobicContact CG-CD2 4.09Å; F14-L36 HydrophobicContact CG-CG 4.49Å; F14-V37 PolarHBondContact N-O 2.81Å; F14-T38 VanDerWaalsContact O-CA 3.26Å; F14-T38 WeakPolarHBondContact O-CA 3.27Å; F14-T38 VanDerWaalsContact O-CB 3.31Å; F14-T38 WeakPolarHBondContact O-CB 3.5Å; F14-T38 PolarHBondContact O-OG1 2.84Å; F14-A52 HydrophobicContact CD1-CB 4Å; F14-A52 HydrophobicContact CE1-CB 3.87Å; F14-A52 WeakPolarHBondContact CE1-O 3.17Å; F14-I55 HydrophobicContact CE1-CB 4.29Å; F14-I55 HydrophobicContact CE1-CG2 4.31Å; F14-I55 HydrophobicContact CZ-CB 3.94Å; F14-I55 HydrophobicContact CZ-CD1 4.25Å; F14-I55 HydrophobicContact CZ-CG2 3.63Å
15S94.5Very high97.7Very high56 Ų5620.4 Ų20.439%0.39211%0.112SC..  trans-129.5-4.6178.265.40000113.9G17 S20S15-G17 PolarHBondContact O-N 3.41Å; S15-G17 PolarHBondContact OG-N 3.47Å; S15-S20 PolarHBondContact N-OG 2.88Å; S15-S20 PolarHBondContact OG-OG 2.86Å
16G95.8Very high97.8Very high0 Ų022.3 Ų22.30%012%0.118CC..SBendtrans76.80.3-174.500000114.9S20 T187 L188G16-S20 PolarHBondContact N-OG 3.46Å; G16-T187 VanDerWaalsContact O-CA 3.25Å; G16-T187 WeakPolarHBondContact O-CA 3.41Å; G16-T187 WeakPolarHBondContact O-CB 3.48Å; G16-L188 PolarHBondContact O-N 2.86Å
17G95.7Very high97.9Very high8 Ų819.7 Ų19.78%0.08210%0.104CC..SBendtrans-77.8173.3169.600000113.2S15 D19 S20 T21 L188S15-G17 PolarHBondContact O-N 3.41Å; S15-G17 PolarHBondContact OG-N 3.47Å; G17-D19 PolarHBondContact O-N 3.43Å; G17-S20 PolarHBondContact O-OG 3Å; G17-T21 VanDerWaalsContact O-CB 3.29Å; G17-T21 WeakPolarHBondContact O-CB 3.04Å; G17-T21 PolarHBondContact O-N 3.21Å; G17-T21 VanDerWaalsContact O-N 3.08Å; G17-T21 PolarHBondContact O-OG1 3.12Å; G17-L188 WeakPolarHBondContact CA-O 3.43Å
18Q97.5Very high97.9Very high2 Ų219.3 Ų19.31%0.00910%0.098CC..Hα-helixtrans-49-61.1-179.6175.6-178.1-6.200111.9S20 T21 T22 T170 W171 I183 T189Q18-S20 PolarHBondContact O-N 2.99Å; Q18-T21 PolarHBondContact O-N 3.49Å; Q18-T21 VanDerWaalsContact O-N 3.16Å; Q18-T22 PolarHBondContact O-N 3.14Å; Q18-T22 PolarHBondContact O-OG1 2.99Å; Q18-T22 VanDerWaalsContact O-OG1 3.13Å; Q18-T170 HydrophobicContact CG-CG2 4.47Å; Q18-W171 VanDerWaalsContact NE2-CE2 3.29Å; Q18-I183 HydrophobicContact CB-CG2 4.46Å; Q18-I183 HydrophobicContact CG-CG2 3.99Å; Q18-T189 PolarHBondContact N-OG1 3.22Å
19D96.7Very high97.9Very high41 Ų4121.7 Ų21.722%0.21911%0.107CC..Hα-helixtrans-60.6-50.1-170.5-61.6-14.4000112.3G17 T21 T22 C23 L162 K167G17-D19 PolarHBondContact O-N 3.43Å; D19-T21 VanDerWaalsContact C-N 3.25Å; D19-T21 PolarHBondContact O-N 2.65Å; D19-T22 PolarHBondContact O-N 3.05Å; D19-C23 PolarHBondContact O-N 2.84Å; D19-C23 PolarHBondContact O-SG 3.05Å; D19-L162 HydrophobicContact CB-CD1 3.61Å; D19-K167 IonicContact OD1-NZ 2.64Å; D19-K167 PolarHBondContact OD1-NZ 2.84Å; D19-K167 IonicContact OD2-NZ 2.7Å; D19-K167 PolarHBondContact OD2-NZ 2.65Å
20S97.7Very high97.9Very high8 Ų825.7 Ų25.76%0.05613%0.126CC..Hα-helixtrans-66.7-28.6-179.873.70000112.9F14 S15 G16 G17 Q18 C23 L24F14-S20 WeakPolarHBondContact CD2-OG 3.4Å; S15-S20 PolarHBondContact N-OG 2.88Å; S15-S20 PolarHBondContact OG-OG 2.86Å; G16-S20 PolarHBondContact N-OG 3.46Å; G17-S20 PolarHBondContact O-OG 3Å; Q18-S20 PolarHBondContact O-N 2.99Å; S20-C23 WeakPolarHBondContact O-CB 3.33Å; S20-C23 PolarHBondContact O-N 3.32Å; S20-L24 PolarHBondContact O-N 3.07Å
21T98.6Very high97.9Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-75.1-39.5174.5-52.30000111.6F14 G17 Q18 D19 C23 L24 F25 I55 I183 T187F14-T21 WeakPolarHBondContact CE2-OG1 3.21Å; G17-T21 VanDerWaalsContact O-CB 3.29Å; G17-T21 WeakPolarHBondContact O-CB 3.04Å; G17-T21 PolarHBondContact O-N 3.21Å; G17-T21 VanDerWaalsContact O-N 3.08Å; G17-T21 PolarHBondContact O-OG1 3.12Å; Q18-T21 PolarHBondContact O-N 3.49Å; Q18-T21 VanDerWaalsContact O-N 3.16Å; D19-T21 VanDerWaalsContact C-N 3.25Å; D19-T21 PolarHBondContact O-N 2.65Å; T21-C23 VanDerWaalsContact C-N 3.26Å; T21-C23 PolarHBondContact O-N 3.49Å; T21-L24 WeakPolarHBondContact O-CB 3.13Å; T21-L24 PolarHBondContact O-N 3.23Å; T21-L24 VanDerWaalsContact O-N 3.14Å; T21-F25 HydrophobicContact CG2-CD2 3.97Å; T21-F25 HydrophobicContact CG2-CE2 3.66Å; T21-F25 WeakPolarHBondContact O-CD2 3.3Å; T21-F25 PolarHBondContact O-N 2.98Å; T21-F25 VanDerWaalsContact O-N 3.1Å; T21-I55 HydrophobicContact CG2-CG2 4.23Å; T21-I183 HydrophobicContact CG2-CD1 4.49Å; T21-I183 HydrophobicContact CG2-CG1 3.95Å; T21-T187 HydrophobicContact CG2-CG2 3.76Å; T21-T187 VanDerWaalsContact OG1-CG2 3.29Å; T21-T187 WeakPolarHBondContact OG1-CG2 3.03Å
22T98.6Very high97.9Very high0 Ų034.5 Ų34.50%016%0.164CC..Hα-helixtrans-57.6-42.6168.6-53.60000110.5Q18 D19 L24 F25 Y26 L162 T170 L173 S174 L177 I183Q18-T22 PolarHBondContact O-N 3.14Å; Q18-T22 PolarHBondContact O-OG1 2.99Å; Q18-T22 VanDerWaalsContact O-OG1 3.13Å; D19-T22 PolarHBondContact O-N 3.05Å; T22-L24 PolarHBondContact O-N 2.9Å; T22-F25 PolarHBondContact O-N 3.45Å; T22-Y26 WeakPolarHBondContact O-CB 3.32Å; T22-Y26 PolarHBondContact O-N 3.42Å; T22-L162 HydrophobicContact CG2-CD2 4.14Å; T22-T170 HydrophobicContact CG2-CG2 4.38Å; T22-L173 HydrophobicContact CG2-CB 4.41Å; T22-L173 HydrophobicContact CG2-CD2 3.71Å; T22-L173 HydrophobicContact CG2-CG 3.9Å; T22-S174 PolarHBondContact OG1-OG 2.74Å; T22-S174 VanDerWaalsContact OG1-OG 3.04Å; T22-L177 HydrophobicContact CG2-CD1 4.41Å; T22-I183 WeakPolarHBondContact OG1-CD1 3.33Å
23C98.7Very high97.8Very high0 Ų039 Ų390%019%0.185CC..Hα-helixtrans-62.2-37.9174.2-72.90000113.5V12 D19 S20 T21 Y26 A27 I122 G124V12-C23 HydrophobicContact CG1-CB 4.04Å; D19-C23 PolarHBondContact O-N 2.84Å; D19-C23 PolarHBondContact O-SG 3.05Å; S20-C23 WeakPolarHBondContact O-CB 3.33Å; S20-C23 PolarHBondContact O-N 3.32Å; T21-C23 VanDerWaalsContact C-N 3.26Å; T21-C23 PolarHBondContact O-N 3.49Å; C23-Y26 PolarHBondContact O-N 2.99Å; C23-A27 WeakPolarHBondContact O-CB 3.37Å; C23-A27 PolarHBondContact O-N 3.16Å; C23-I122 HydrophobicContact CB-CG2 3.92Å; C23-G124 VanDerWaalsContact SG-CA 3.53Å
24L98.8Very high97.9Very high0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-60-48173.5161.861.1000111.2F14 S20 T21 T22 A27 K28 V34 L36 I55 Q59 M61F14-L24 HydrophobicContact CE2-CB 4.39Å; F14-L24 HydrophobicContact CE2-CD2 4.34Å; F14-L24 HydrophobicContact CZ-CD2 4.41Å; S20-L24 PolarHBondContact O-N 3.07Å; T21-L24 WeakPolarHBondContact O-CB 3.13Å; T21-L24 PolarHBondContact O-N 3.23Å; T21-L24 VanDerWaalsContact O-N 3.14Å; T22-L24 PolarHBondContact O-N 2.9Å; L24-A27 WeakPolarHBondContact O-CB 3.45Å; L24-A27 PolarHBondContact O-N 3.36Å; L24-K28 HydrophobicContact CD1-CD 3.91Å; L24-K28 HydrophobicContact CD1-CG 4.05Å; L24-K28 HydrophobicContact CG-CD 4.41Å; L24-K28 PolarHBondContact O-N 2.97Å; L24-V34 HydrophobicContact CD1-CG1 4.14Å; L24-L36 HydrophobicContact CB-CD2 4.37Å; L24-L36 HydrophobicContact CD1-CD1 4.46Å; L24-L36 HydrophobicContact CD1-CD2 3.74Å; L24-L36 HydrophobicContact CD1-CG 4.46Å; L24-L36 HydrophobicContact CD2-CD1 4.18Å; L24-L36 HydrophobicContact CD2-CD2 4.47Å; L24-L36 HydrophobicContact CG-CD2 4.39Å; L24-I55 HydrophobicContact CD2-CG2 4.17Å; L24-Q59 HydrophobicContact CD2-CB 4.39Å; L24-Q59 HydrophobicContact CD2-CG 4.15Å; L24-M61 HydrophobicContact CD1-CG 3.91Å; L24-M61 HydrophobicContact CD1-SD 3.93Å
25F98.8Very high97.9Very high20 Ų2039.3 Ų39.39%0.08819%0.187CC..Hα-helixtrans-69.9-35.9-179.9-73.3-71000112.6T21 T22 A27 K28 K29 Q59 L177 V179 Y182 I183T21-F25 HydrophobicContact CG2-CD2 3.97Å; T21-F25 HydrophobicContact CG2-CE2 3.66Å; T21-F25 WeakPolarHBondContact O-CD2 3.3Å; T21-F25 PolarHBondContact O-N 2.98Å; T21-F25 VanDerWaalsContact O-N 3.1Å; T22-F25 PolarHBondContact O-N 3.45Å; F25-A27 VanDerWaalsContact C-N 3.34Å; F25-K28 PolarHBondContact O-N 3.41Å; F25-K29 PolarHBondContact O-N 3.31Å; F25-Q59 HydrophobicContact CE1-CG 4.46Å; F25-Q59 VanDerWaalsContact CE1-OE1 3.24Å; F25-Q59 HydrophobicContact CZ-CG 4.12Å; F25-L177 HydrophobicContact CB-CD1 4.06Å; F25-V179 HydrophobicContact CB-CG2 3.99Å; F25-V179 HydrophobicContact CD1-CB 4.39Å; F25-V179 HydrophobicContact CD1-CG1 3.66Å; F25-V179 HydrophobicContact CD1-CG2 4.36Å; F25-V179 HydrophobicContact CD2-CB 4.12Å; F25-V179 HydrophobicContact CD2-CG1 4.26Å; F25-V179 HydrophobicContact CD2-CG2 3.78Å; F25-V179 HydrophobicContact CE1-CB 4.43Å; F25-V179 HydrophobicContact CE1-CG1 3.63Å; F25-V179 HydrophobicContact CE2-CB 4.17Å; F25-V179 HydrophobicContact CE2-CG1 4.25Å; F25-V179 HydrophobicContact CE2-CG2 4.32Å; F25-V179 HydrophobicContact CG-CB 4.23Å; F25-V179 HydrophobicContact CG-CG1 3.97Å; F25-V179 HydrophobicContact CG-CG2 3.8Å; F25-V179 HydrophobicContact CZ-CB 4.32Å; F25-V179 HydrophobicContact CZ-CG1 3.94Å; F25-Y182 AromaticContact CE2-CD1 3.7Å; F25-Y182 HydrophobicContact CE2-CD1 3.7Å; F25-Y182 AromaticContact CE2-CE1 3.93Å; F25-Y182 HydrophobicContact CE2-CE1 3.93Å; F25-Y182 AromaticContact CZ-CD1 3.72Å; F25-Y182 HydrophobicContact CZ-CD1 3.72Å; F25-Y182 AromaticContact CZ-CE1 3.84Å; F25-Y182 HydrophobicContact CZ-CE1 3.84Å; F25-Y182 HydrophobicContact CZ-CG 4.36Å; F25-I183 HydrophobicContact CD2-CD1 4.1Å; F25-I183 HydrophobicContact CD2-CG1 4.3Å; F25-I183 HydrophobicContact CE2-CG1 4.26Å
26Y98.7Very high98.1Very high57 Ų5736.6 Ų36.622%0.22417%0.168CC..Hα-helixtrans-56.5-49.1167.7179.9-87.4000110.6T22 C23 K28 K29 H30 P161T22-Y26 WeakPolarHBondContact O-CB 3.32Å; T22-Y26 PolarHBondContact O-N 3.42Å; C23-Y26 PolarHBondContact O-N 2.99Å; Y26-K28 PolarHBondContact O-N 3.41Å; Y26-K29 PolarHBondContact O-N 3Å; Y26-K29 VanDerWaalsContact O-N 3.13Å; Y26-H30 AromaticContact CD1-CD2 3.93Å; Y26-H30 AromaticContact CD2-CD2 3.77Å; Y26-H30 AromaticContact CD2-NE2 3.91Å; Y26-H30 AromaticContact CE1-CD2 3.69Å; Y26-H30 AromaticContact CE2-CD2 3.52Å; Y26-H30 AromaticContact CE2-NE2 3.4Å; Y26-H30 WeakPolarHBondContact CE2-NE2 3.44Å; Y26-H30 AromaticContact CG-CD2 3.96Å; Y26-H30 AromaticContact CZ-CD2 3.46Å; Y26-H30 VanDerWaalsContact CZ-CD2 3.46Å; Y26-H30 AromaticContact CZ-NE2 3.63Å; Y26-H30 PolarHBondContact O-CD2 2.92Å; Y26-H30 PolarHBondContact O-N 2.92Å; Y26-P161 HydrophobicContact CD1-CB 3.98Å; Y26-P161 HydrophobicContact CD1-CG 4Å; Y26-P161 HydrophobicContact CD2-CB 4.01Å; Y26-P161 HydrophobicContact CE1-CB 3.96Å; Y26-P161 HydrophobicContact CE1-CG 4.31Å; Y26-P161 HydrophobicContact CE2-CB 3.98Å; Y26-P161 HydrophobicContact CG-CB 4.01Å; Y26-P161 HydrophobicContact CG-CG 4.2Å
27A98.7Very high98.2Very high0 Ų036.6 Ų36.60%017%0.168CC..Hα-helixtrans-58.1-47.117900000112.4V12 C23 L24 F25 K29 H30 F31 V34 I122V12-A27 HydrophobicContact CG2-CB 3.57Å; C23-A27 WeakPolarHBondContact O-CB 3.37Å; C23-A27 PolarHBondContact O-N 3.16Å; L24-A27 WeakPolarHBondContact O-CB 3.45Å; L24-A27 PolarHBondContact O-N 3.36Å; F25-A27 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.5Å; A27-H30 PolarHBondContact O-N 3.01Å; A27-F31 HydrophobicContact CB-CD2 4.43Å; A27-F31 WeakPolarHBondContact O-CD2 3.42Å; A27-F31 PolarHBondContact O-N 3.25Å; A27-V34 HydrophobicContact CB-CG1 3.89Å; A27-V34 HydrophobicContact CB-CG2 3.95Å; A27-I122 HydrophobicContact CB-CD1 3.3Å
28K98.5Very high98.3Very high81 Ų8136.3 Ų36.335%0.35217%0.165SC..Hα-helixtrans-59.9-28.5178.5-74.7177.863.6167.20113.1L24 F25 Y26 V34 M61L24-K28 HydrophobicContact CD1-CD 3.91Å; L24-K28 HydrophobicContact CD1-CG 4.05Å; L24-K28 HydrophobicContact CG-CD 4.41Å; L24-K28 PolarHBondContact O-N 2.97Å; F25-K28 PolarHBondContact O-N 3.41Å; Y26-K28 PolarHBondContact O-N 3.41Å; K28-V34 HydrophobicContact CG-CG2 4.47Å; K28-M61 HydrophobicContact CD-CE 4.34Å; K28-M61 HydrophobicContact CD-SD 4.16Å; K28-M61 HydrophobicContact CG-SD 4.34Å
29K98Very high98.1Very high136 Ų13636.6 Ų36.659%0.59117%0.166SC*.Hα-helixtrans-79-28.4176.3-174.2170.4-178.1173.50113F25 Y26 A27 L177F25-K29 PolarHBondContact O-N 3.31Å; Y26-K29 PolarHBondContact O-N 3Å; Y26-K29 VanDerWaalsContact O-N 3.13Å; A27-K29 PolarHBondContact O-N 3.5Å; K29-L177 HydrophobicContact CB-CD2 4.25Å; K29-L177 HydrophobicContact CD-CD2 3.43Å; K29-L177 VanDerWaalsContact CD-CD2 3.43Å; K29-L177 HydrophobicContact CG-CD2 4.5Å
30H98.2Very high97.8Very high103 Ų10337 Ų3748%0.47717%0.168SC..Hα-helixtrans-106.9-17.9-170.2-74.8-76.7000114.9Y26 A27Y26-H30 AromaticContact CD1-CD2 3.93Å; Y26-H30 AromaticContact CD2-CD2 3.77Å; Y26-H30 AromaticContact CD2-NE2 3.91Å; Y26-H30 AromaticContact CE1-CD2 3.69Å; Y26-H30 AromaticContact CE2-CD2 3.52Å; Y26-H30 AromaticContact CE2-NE2 3.4Å; Y26-H30 WeakPolarHBondContact CE2-NE2 3.44Å; Y26-H30 AromaticContact CG-CD2 3.96Å; Y26-H30 AromaticContact CZ-CD2 3.46Å; Y26-H30 VanDerWaalsContact CZ-CD2 3.46Å; Y26-H30 AromaticContact CZ-NE2 3.63Å; Y26-H30 PolarHBondContact O-CD2 2.92Å; Y26-H30 PolarHBondContact O-N 2.92Å; A27-H30 PolarHBondContact O-N 3.01Å
31F98.6Very high96.9Very high29 Ų2937.8 Ų37.813%0.12717%0.17CC..  trans-129.4149.9-176.3-58.4-77.4000111.5A10 A27 V34 H120 I122 H159A10-F31 HydrophobicContact CB-CB 4.16Å; A10-F31 HydrophobicContact CB-CD1 4.27Å; A10-F31 HydrophobicContact CB-CD2 3.69Å; A10-F31 HydrophobicContact CB-CE2 4.18Å; A10-F31 HydrophobicContact CB-CG 3.75Å; A27-F31 HydrophobicContact CB-CD2 4.43Å; A27-F31 WeakPolarHBondContact O-CD2 3.42Å; A27-F31 PolarHBondContact O-N 3.25Å; F31-V34 HydrophobicContact CB-CG2 4.16Å; F31-H120 HydrophobicContact CD1-CB 4.45Å; F31-H120 AromaticContact CD1-CD2 3.66Å; F31-H120 HydrophobicContact CE1-CB 3.88Å; F31-H120 AromaticContact CE1-CD2 3.18Å; F31-H120 WeakPolarHBondContact CE1-CD2 2.78Å; F31-H120 AromaticContact CE1-CG 3.38Å; F31-H120 AromaticContact CE1-ND1 3.99Å; F31-H120 AromaticContact CE1-NE2 3.7Å; F31-H120 HydrophobicContact CZ-CB 3.98Å; F31-H120 AromaticContact CZ-CG 3.82Å; F31-I122 HydrophobicContact CD2-CD1 3.9Å; F31-I122 HydrophobicContact CE2-CD1 3.61Å; F31-I122 HydrophobicContact CE2-CG1 4.45Å; F31-H159 AromaticContact CZ-NE2 3.61Å
32K98Very high95.5Very high156 Ų15639.4 Ų39.468%0.67819%0.186SC*.SBendtrans-78.7-34.4179.8-67.9-171-175.5157.60112.5E8E8-K32 HydrophobicContact CB-CB 4.1Å; E8-K32 HydrophobicContact CB-CD 4.28Å; E8-K32 HydrophobicContact CB-CG 4.19Å; E8-K32 VanDerWaalsContact CD-CE 3.46Å; E8-K32 PolarHBondContact O-N 3.35Å; E8-K32 WeakPolarHBondContact OE1-CE 3.37Å; E8-K32 IonicContact OE1-NZ 2.8Å; E8-K32 PolarHBondContact OE1-NZ 2.95Å; E8-K32 WeakPolarHBondContact OE2-CD 3.47Å; E8-K32 WeakPolarHBondContact OE2-CE 3.28Å; E8-K32 IonicContact OE2-NZ 2.74Å; E8-K32 PolarHBondContact OE2-NZ 3.47Å
33E98.3Very high94.1Very high94 Ų9440.1 Ų40.144%0.43919%0.19SC..EExtended strand (participates in β ladder)trans-121.6126.2178.7-70.1178.6-135.700109.7E8 K9 A10E8-E33 PolarHBondContact O-N 3.33Å; E8-E33 VanDerWaalsContact O-N 3.07Å; K9-E33 CarbonylContact C-O 3.5Å; K9-E33 VanDerWaalsContact CA-O 3.32Å; K9-E33 WeakPolarHBondContact CA-O 3.46Å; K9-E33 HydrophobicContact CB-CB 3.99Å; K9-E33 HydrophobicContact CD-CB 4.25Å; K9-E33 WeakPolarHBondContact CD-OE2 3.3Å; K9-E33 HydrophobicContact CG-CB 3.74Å; K9-E33 IonicContact NZ-OE2 2.79Å; A10-E33 PolarHBondContact N-O 2.87Å
34V98.7Very high92.2Very high19 Ų1945.2 Ų45.212%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-130.3126.1178.5-177.60000109.1A10 V12 L24 A27 K28 F31 M61A10-V34 WeakPolarHBondContact O-CA 3.4Å; V12-V34 HydrophobicContact CG2-CG1 3.79Å; L24-V34 HydrophobicContact CD1-CG1 4.14Å; A27-V34 HydrophobicContact CB-CG1 3.89Å; A27-V34 HydrophobicContact CB-CG2 3.95Å; K28-V34 HydrophobicContact CG-CG2 4.47Å; F31-V34 HydrophobicContact CB-CG2 4.16Å; V34-M61 HydrophobicContact CB-SD 4.22Å; V34-M61 HydrophobicContact CG1-SD 4.35Å
35E98.8Very high90.5Very high15 Ų1547.8 Ų47.87%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-116.3160.4168.1-59.8-169.4-14800109.3K9 A10 I11 V12 K62 H64 I116K9-E35 WeakPolarHBondContact CE-OE1 3.44Å; K9-E35 IonicContact NZ-OE1 2.69Å; K9-E35 PolarHBondContact NZ-OE1 2.91Å; A10-E35 PolarHBondContact O-N 2.83Å; I11-E35 WeakPolarHBondContact CA-O 3.44Å; I11-E35 HydrophobicContact CD1-CB 3.77Å; V12-E35 PolarHBondContact N-O 3.39Å; E35-K62 HydrophobicContact CG-CB 4.16Å; E35-K62 HydrophobicContact CG-CD 4.46Å; E35-K62 IonicContact OE1-NZ 3.47Å; E35-K62 PolarHBondContact OE1-NZ 3.45Å; E35-K62 VanDerWaalsContact OE2-CD 3.26Å; E35-K62 WeakPolarHBondContact OE2-CD 3.41Å; E35-K62 VanDerWaalsContact OE2-CE 3.29Å; E35-K62 WeakPolarHBondContact OE2-CE 3.15Å; E35-K62 IonicContact OE2-NZ 2.84Å; E35-K62 PolarHBondContact OE2-NZ 2.88Å; E35-H64 IonicContact OE2-CD2 3.73Å; E35-H64 IonicContact OE2-CE1 3.61Å; E35-H64 IonicContact OE2-NE2 2.71Å; E35-H64 PolarHBondContact OE2-NE2 3.12Å; E35-I116 HydrophobicContact CB-CD1 4.13Å; E35-I116 HydrophobicContact CG-CD1 4.33Å
36L98.8Very high89.4Confident0 Ų053.1 Ų53.10%025%0.25CS..EExtended strand (participates in β ladder)trans-115144.7-179.1-61.2-180000110.9V12 F14 L24 A56 M61 K62 H63 H64V12-L36 HydrophobicContact CB-CD2 3.67Å; V12-L36 HydrophobicContact CG1-CD2 4.36Å; V12-L36 HydrophobicContact CG2-CD2 4.14Å; F14-L36 HydrophobicContact CB-CB 4.22Å; F14-L36 HydrophobicContact CB-CD2 4.1Å; F14-L36 HydrophobicContact CD1-CB 4.37Å; F14-L36 HydrophobicContact CD1-CD1 3.75Å; F14-L36 HydrophobicContact CD1-CD2 4.48Å; F14-L36 HydrophobicContact CD1-CG 4.43Å; F14-L36 HydrophobicContact CD2-CD2 4.42Å; F14-L36 HydrophobicContact CE1-CD1 3.97Å; F14-L36 HydrophobicContact CG-CB 4.49Å; F14-L36 HydrophobicContact CG-CD1 4.18Å; F14-L36 HydrophobicContact CG-CD2 4.09Å; F14-L36 HydrophobicContact CG-CG 4.49Å; L24-L36 HydrophobicContact CB-CD2 4.37Å; L24-L36 HydrophobicContact CD1-CD1 4.46Å; L24-L36 HydrophobicContact CD1-CD2 3.74Å; L24-L36 HydrophobicContact CD1-CG 4.46Å; L24-L36 HydrophobicContact CD2-CD1 4.18Å; L24-L36 HydrophobicContact CD2-CD2 4.47Å; L24-L36 HydrophobicContact CG-CD2 4.39Å; L36-A56 HydrophobicContact CD1-CB 3.73Å; L36-M61 HydrophobicContact CD1-CB 3.67Å; L36-M61 HydrophobicContact CD1-CG 4.09Å; L36-M61 HydrophobicContact CG-CB 3.99Å; L36-M61 HydrophobicContact CG-CG 4.43Å; L36-K62 PolarHBondContact N-O 2.86Å; L36-H63 HydrophobicContact CB-CB 4.3Å; L36-H64 PolarHBondContact O-CD2 3.36Å; L36-H64 PolarHBondContact O-N 3.24Å
37V98.6Very high88.6Confident0 Ų053 Ų530%026%0.255CS..EExtended strand (participates in β ladder)trans-128.1126168.763.50000111.1I11 V12 V13 F14 F39 H64 L66 A109 L112I11-V37 HydrophobicContact CD1-CB 4.08Å; I11-V37 HydrophobicContact CD1-CG1 4.26Å; I11-V37 HydrophobicContact CG1-CB 4.12Å; I11-V37 HydrophobicContact CG1-CG1 3.74Å; V12-V37 PolarHBondContact O-N 3.24Å; V13-V37 HydrophobicContact CG2-CG1 4.2Å; F14-V37 PolarHBondContact N-O 2.81Å; V37-F39 HydrophobicContact CG1-CE2 4.43Å; V37-F39 HydrophobicContact CG1-CZ 4.28Å; V37-F39 HydrophobicContact CG2-CE1 4.14Å; V37-F39 HydrophobicContact CG2-CZ 4.11Å; V37-H64 CarbonylContact C-O 3.55Å; V37-H64 VanDerWaalsContact CA-O 3.3Å; V37-H64 WeakPolarHBondContact CA-O 3.29Å; V37-H64 HydrophobicContact CG2-CB 4.38Å; V37-L66 HydrophobicContact CG2-CD1 3.73Å; V37-L66 HydrophobicContact CG2-CG 3.9Å; V37-A109 HydrophobicContact CG1-CB 4.29Å; V37-L112 HydrophobicContact CB-CD2 3.77Å; V37-L112 HydrophobicContact CG2-CD2 3.66Å
38T97.1Very high87.9Confident2 Ų255.6 Ų55.61%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-112.4136.7171.7-66.30000110F14 I49 A52 H63 H64 V65 L66F14-T38 VanDerWaalsContact O-CA 3.26Å; F14-T38 WeakPolarHBondContact O-CA 3.27Å; F14-T38 VanDerWaalsContact O-CB 3.31Å; F14-T38 WeakPolarHBondContact O-CB 3.5Å; F14-T38 PolarHBondContact O-OG1 2.84Å; T38-I49 HydrophobicContact CG2-CG1 4.36Å; T38-A52 HydrophobicContact CG2-CB 4.48Å; T38-H63 WeakPolarHBondContact CB-NE2 3.42Å; T38-H63 PolarHBondContact OG1-NE2 3.35Å; T38-H64 PolarHBondContact N-O 2.87Å; T38-V65 CarbonylContact O-C 3.53Å; T38-V65 WeakPolarHBondContact O-CA 3.49Å; T38-L66 PolarHBondContact O-N 2.88Å
39F93.3Very high87.6Confident8 Ų852.3 Ų52.34%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-98117.1175.7-61.5-67.6000109.5V13 V37 Q43 L66 M68 F105 F108 A109V13-F39 HydrophobicContact CG1-CD2 4.17Å; V13-F39 HydrophobicContact CG1-CE2 3.78Å; V13-F39 HydrophobicContact CG2-CE2 4.3Å; V37-F39 HydrophobicContact CG1-CE2 4.43Å; V37-F39 HydrophobicContact CG1-CZ 4.28Å; V37-F39 HydrophobicContact CG2-CE1 4.14Å; V37-F39 HydrophobicContact CG2-CZ 4.11Å; F39-Q43 PolarHBondContact O-NE2 3.21Å; F39-Q43 PolarHBondContact O-OE1 2.93Å; F39-L66 HydrophobicContact CD1-CB 4.11Å; F39-L66 HydrophobicContact CD1-CD1 4.4Å; F39-L66 HydrophobicContact CE1-CB 4.39Å; F39-L66 HydrophobicContact CE1-CD1 3.84Å; F39-M68 HydrophobicContact CB-CG 3.95Å; F39-M68 HydrophobicContact CD1-CG 3.7Å; F39-M68 HydrophobicContact CD1-SD 4.04Å; F39-M68 HydrophobicContact CG-CG 4.26Å; F39-F105 HydrophobicContact CB-CD1 3.96Å; F39-F105 HydrophobicContact CB-CE1 3.65Å; F39-F105 HydrophobicContact CB-CE2 4.4Å; F39-F105 HydrophobicContact CB-CG 4.49Å; F39-F105 HydrophobicContact CB-CZ 3.9Å; F39-F105 HydrophobicContact CD1-CD1 4.05Å; F39-F105 HydrophobicContact CD1-CE1 4.46Å; F39-F105 HydrophobicContact CD2-CB 3.78Å; F39-F105 AromaticContact CD2-CD1 3.69Å; F39-F105 HydrophobicContact CD2-CD1 3.69Å; F39-F105 AromaticContact CD2-CD2 3.85Å; F39-F105 HydrophobicContact CD2-CD2 3.85Å; F39-F105 HydrophobicContact CD2-CE1 4.21Å; F39-F105 HydrophobicContact CD2-CE2 4.33Å; F39-F105 AromaticContact CD2-CG 3.5Å; F39-F105 HydrophobicContact CD2-CG 3.5Å; F39-F105 HydrophobicContact CE2-CB 3.52Å; F39-F105 HydrophobicContact CE2-CD1 4.21Å; F39-F105 HydrophobicContact CE2-CD2 4.4Å; F39-F105 AromaticContact CE2-CG 3.82Å; F39-F105 HydrophobicContact CE2-CG 3.82Å; F39-F105 HydrophobicContact CG-CB 4.5Å; F39-F105 AromaticContact CG-CD1 3.61Å; F39-F105 HydrophobicContact CG-CD1 3.61Å; F39-F105 HydrophobicContact CG-CD2 4.45Å; F39-F105 AromaticContact CG-CE1 3.85Å; F39-F105 HydrophobicContact CG-CE1 3.85Å; F39-F105 AromaticContact CG-CG 3.95Å; F39-F105 HydrophobicContact CG-CG 3.95Å; F39-F105 HydrophobicContact CG-CZ 4.38Å; F39-F105 HydrophobicContact CZ-CB 4.04Å; F39-F105 HydrophobicContact CZ-CG 4.49Å; F39-F105 WeakPolarHBondContact CZ-O 3.49Å; F39-F108 HydrophobicContact CE1-CB 3.65Å; F39-F108 HydrophobicContact CZ-CB 4.2Å; F39-A109 HydrophobicContact CZ-CB 4.1Å
40N89.6Confident87.4Confident50 Ų5050.7 Ų50.727%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-94.3100.51721785.2000108.9G42 I49 V65 L66 M68N40-G42 PolarHBondContact OD1-N 2.86Å; N40-I49 HydrophobicContact CB-CD1 3.53Å; N40-I49 WeakPolarHBondContact OD1-CD1 3.43Å; N40-V65 HydrophobicContact CB-CG1 4.17Å; N40-L66 PolarHBondContact N-O 2.91Å; N40-M68 CarbonylContact O-C 3.59Å; N40-M68 WeakPolarHBondContact O-CA 3.3Å; N40-M68 WeakPolarHBondContact O-CB 3.4Å; N40-M68 PolarHBondContact O-N 3.37Å
41Y79.5Confident87.3Confident24 Ų2446.2 Ų46.29%0.09423%0.228CC..SBendtrans-110.622.8-178.958-84.3000112.7Q43 L79 F105Y41-Q43 HydrophobicContact CD1-CG 4Å; Y41-Q43 HydrophobicContact CD2-CG 4.21Å; Y41-Q43 HydrophobicContact CE1-CG 3.47Å; Y41-Q43 VanDerWaalsContact CE1-CG 3.47Å; Y41-Q43 VanDerWaalsContact CE1-NE2 3.31Å; Y41-Q43 HydrophobicContact CE2-CG 3.72Å; Y41-Q43 HydrophobicContact CG-CG 4.35Å; Y41-L79 HydrophobicContact CE2-CB 4.24Å; Y41-L79 HydrophobicContact CE2-CD1 3.91Å; Y41-F105 HydrophobicContact CD1-CE1 4.22Å; Y41-F105 HydrophobicContact CD1-CE2 4.44Å; Y41-F105 AromaticContact CD1-CZ 3.51Å; Y41-F105 HydrophobicContact CD1-CZ 3.51Å; Y41-F105 HydrophobicContact CE1-CE2 4.2Å; Y41-F105 AromaticContact CE1-CZ 3.67Å; Y41-F105 HydrophobicContact CE1-CZ 3.67Å; Y41-F105 HydrophobicContact CG-CZ 4.19Å
42G68.7Low87.2Confident33 Ų3344.8 Ų44.834%0.3422%0.222SC..  trans78.636.7-175.300000112.5N40N40-G42 PolarHBondContact OD1-N 2.86Å
43Q68.9Low87.2Confident16 Ų1641.4 Ų41.48%0.07521%0.207CC..  trans-53.7148.8174.8-66.5113.3-63.300111.2F39 Y41 H45 E48F39-Q43 PolarHBondContact O-NE2 3.21Å; F39-Q43 PolarHBondContact O-OE1 2.93Å; Y41-Q43 HydrophobicContact CD1-CG 4Å; Y41-Q43 HydrophobicContact CD2-CG 4.21Å; Y41-Q43 HydrophobicContact CE1-CG 3.47Å; Y41-Q43 VanDerWaalsContact CE1-CG 3.47Å; Y41-Q43 VanDerWaalsContact CE1-NE2 3.31Å; Y41-Q43 HydrophobicContact CE2-CG 3.72Å; Y41-Q43 HydrophobicContact CG-CG 4.35Å; Q43-H45 PolarHBondContact O-N 3.22Å; Q43-E48 WeakPolarHBondContact CG-OE2 3.15Å; Q43-E48 PolarHBondContact NE2-OE2 3.43Å
44R60.8Low87.2Confident107 Ų10741.5 Ų41.540%0.40421%0.208SC..SBendtrans-53.6-23.2-173.6-170.4173.9-178.3167.34.2115.1
45H62.4Low87.2Confident54 Ų5440.7 Ų40.725%0.2520%0.203CC..  trans-133.3124.8-178.8-56.476.6000110.4Q43 T47 E48 Y191Q43-H45 PolarHBondContact O-N 3.22Å; H45-T47 PolarHBondContact O-N 3.35Å; H45-E48 PolarHBondContact O-N 3.27Å; H45-Y191 PolarHBondContact CE1-O 2.7Å
46D74.5Confident87.1Confident131 Ų13140.1 Ų40.170%0.70120%0.201SC*.THydrogen-bonded Turntrans-55.9-22.4169.1-67.7-34.6000112E48 I49 E50D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 2.97Å; D46-I49 PolarHBondContact O-N 3.25Å; D46-E50 PolarHBondContact O-N 3.46Å
47T82.8Confident87.1Confident54 Ų5447 Ų4733%0.33123%0.233SC..Hα-helixtrans-55.9-34.6179.3-41.40000113.7H45 I49 E50 V51 L188H45-T47 PolarHBondContact O-N 3.35Å; T47-I49 PolarHBondContact O-N 3.4Å; T47-E50 PolarHBondContact O-N 2.81Å; T47-V51 HydrophobicContact CG2-CG2 4.35Å; T47-V51 WeakPolarHBondContact O-CB 3.47Å; T47-V51 VanDerWaalsContact O-CG2 3.25Å; T47-V51 WeakPolarHBondContact O-CG2 3.19Å; T47-V51 PolarHBondContact O-N 3.12Å; T47-L188 HydrophobicContact CG2-CD2 4Å
48E84.8Confident87.1Confident55 Ų5550.2 Ų50.226%0.25725%0.25SC..Hα-helixtrans-62.3-45.7179.7-70.5-175.5-178.800111.9Q43 H45 D46 V51 A52 L188Q43-E48 WeakPolarHBondContact CG-OE2 3.15Å; Q43-E48 PolarHBondContact NE2-OE2 3.43Å; H45-E48 PolarHBondContact O-N 3.27Å; D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 2.97Å; E48-V51 PolarHBondContact O-N 2.89Å; E48-A52 PolarHBondContact O-N 3.22Å; E48-L188 HydrophobicContact CG-CD2 3.92Å
49I91.8Very high87.1Confident12 Ų1251.9 Ų51.96%0.06226%0.258CS..Hα-helixtrans-69.1-39.5-179-65.6167.1000110T38 N40 D46 T47 V51 A52 K53 V65T38-I49 HydrophobicContact CG2-CG1 4.36Å; N40-I49 HydrophobicContact CB-CD1 3.53Å; N40-I49 WeakPolarHBondContact OD1-CD1 3.43Å; D46-I49 PolarHBondContact O-N 3.25Å; T47-I49 PolarHBondContact O-N 3.4Å; I49-V51 VanDerWaalsContact C-N 3.35Å; I49-A52 PolarHBondContact O-N 2.82Å; I49-K53 HydrophobicContact CG2-CD 4.16Å; I49-K53 HydrophobicContact CG2-CG 4.39Å; I49-K53 WeakPolarHBondContact O-CG 3.15Å; I49-K53 PolarHBondContact O-N 3.27Å; I49-V65 HydrophobicContact CG2-CG1 4.4Å
50E94Very high87.4Confident103 Ų10354.6 Ų54.648%0.48129%0.288SS..Hα-helixtrans-64.7-39177-64.9-50.5119.600112D46 T47 K53 Q54D46-E50 PolarHBondContact O-N 3.46Å; T47-E50 PolarHBondContact O-N 2.81Å; E50-K53 PolarHBondContact O-N 2.83Å; E50-K53 IonicContact OE1-NZ 3.58Å; E50-K53 PolarHBondContact OE1-NZ 2.85Å; E50-Q54 WeakPolarHBondContact O-CB 3.43Å; E50-Q54 PolarHBondContact O-N 3.43Å
51V95.9Very high87.8Confident8 Ų854.3 Ų54.35%0.04829%0.285CS..Hα-helixtrans-64.4-43.1173171.30000111.3T47 E48 I49 Q54 I55 L188 I195T47-V51 HydrophobicContact CG2-CG2 4.35Å; T47-V51 WeakPolarHBondContact O-CB 3.47Å; T47-V51 VanDerWaalsContact O-CG2 3.25Å; T47-V51 WeakPolarHBondContact O-CG2 3.19Å; T47-V51 PolarHBondContact O-N 3.12Å; E48-V51 PolarHBondContact O-N 2.89Å; I49-V51 VanDerWaalsContact C-N 3.35Å; V51-Q54 PolarHBondContact O-N 2.85Å; V51-I55 HydrophobicContact CG1-CD1 3.73Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 WeakPolarHBondContact O-CG1 3.41Å; V51-I55 PolarHBondContact O-N 2.71Å; V51-L188 HydrophobicContact CB-CB 4.22Å; V51-L188 HydrophobicContact CG1-CB 3.93Å; V51-L188 HydrophobicContact CG2-CB 4.02Å; V51-L188 HydrophobicContact CG2-CD2 4.2Å; V51-I195 HydrophobicContact CG2-CD1 3.55Å; V51-I195 HydrophobicContact CG2-CG1 3.75Å
52A96.9Very high88.7Confident0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-60.5-46.9175.500000111.7F14 T38 E48 I49 Q54 I55 A56F14-A52 HydrophobicContact CD1-CB 4Å; F14-A52 HydrophobicContact CE1-CB 3.87Å; F14-A52 WeakPolarHBondContact CE1-O 3.17Å; T38-A52 HydrophobicContact CG2-CB 4.48Å; E48-A52 PolarHBondContact O-N 3.22Å; I49-A52 PolarHBondContact O-N 2.82Å; A52-Q54 PolarHBondContact O-N 2.82Å; A52-I55 PolarHBondContact O-N 3.17Å; A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 2.71Å
53K97.1Very high90.1Very high85 Ų8559.1 Ų59.137%0.3730%0.298SS..Hα-helixtrans-61.3-43.5176.4-72.9172.5-175.7163.90111.9I49 E50 A56 Q57I49-K53 HydrophobicContact CG2-CD 4.16Å; I49-K53 HydrophobicContact CG2-CG 4.39Å; I49-K53 WeakPolarHBondContact O-CG 3.15Å; I49-K53 PolarHBondContact O-N 3.27Å; E50-K53 PolarHBondContact O-N 2.83Å; E50-K53 IonicContact OE1-NZ 3.58Å; E50-K53 PolarHBondContact OE1-NZ 2.85Å; K53-A56 PolarHBondContact O-N 3.45Å; K53-Q57 WeakPolarHBondContact O-CB 3.3Å; K53-Q57 PolarHBondContact O-N 3.26Å
54Q97.7Very high91.5Very high96 Ų9660.2 Ų60.245%0.44930%0.303SS..Hα-helixtrans-62.5-47.1178.6-173.563.458.600111.2E50 V51 A52 A56 Q57 D58E50-Q54 WeakPolarHBondContact O-CB 3.43Å; E50-Q54 PolarHBondContact O-N 3.43Å; V51-Q54 PolarHBondContact O-N 2.85Å; A52-Q54 PolarHBondContact O-N 2.82Å; Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 3.34Å; Q54-Q57 PolarHBondContact O-N 3.17Å; Q54-D58 PolarHBondContact NE2-OD1 3.45Å; Q54-D58 WeakPolarHBondContact O-CB 3.29Å; Q54-D58 PolarHBondContact O-N 2.79Å
55I98.5Very high93.2Very high2 Ų257.9 Ų57.91%0.0130%0.3CS..Hα-helixtrans-63.3-40.9176.9-66.9163.5000110.6F14 T21 L24 V51 A52 Q57 D58 Q59 Y182 T187F14-I55 HydrophobicContact CE1-CB 4.29Å; F14-I55 HydrophobicContact CE1-CG2 4.31Å; F14-I55 HydrophobicContact CZ-CB 3.94Å; F14-I55 HydrophobicContact CZ-CD1 4.25Å; F14-I55 HydrophobicContact CZ-CG2 3.63Å; T21-I55 HydrophobicContact CG2-CG2 4.23Å; L24-I55 HydrophobicContact CD2-CG2 4.17Å; V51-I55 HydrophobicContact CG1-CD1 3.73Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 WeakPolarHBondContact O-CG1 3.41Å; V51-I55 PolarHBondContact O-N 2.71Å; A52-I55 PolarHBondContact O-N 3.17Å; I55-Q57 VanDerWaalsContact C-N 3.33Å; I55-Q57 PolarHBondContact O-N 3.49Å; I55-D58 PolarHBondContact O-N 3.33Å; I55-Q59 HydrophobicContact CG2-CG 4.22Å; I55-Q59 WeakPolarHBondContact O-CB 3.46Å; I55-Q59 VanDerWaalsContact O-CG 3.23Å; I55-Q59 WeakPolarHBondContact O-CG 3.38Å; I55-Q59 PolarHBondContact O-N 3.25Å; I55-Y182 HydrophobicContact CG2-CE1 4.21Å; I55-T187 HydrophobicContact CD1-CG2 4.01Å
56A98.5Very high94.8Very high3 Ų357.6 Ų57.63%0.02530%0.301CS..Hα-helixtrans-60.1-44.2176.300000111.8L36 A52 K53 Q54 Q59 G60 M61 H63L36-A56 HydrophobicContact CD1-CB 3.73Å; A52-A56 WeakPolarHBondContact O-CB 3.4Å; A52-A56 PolarHBondContact O-N 2.71Å; K53-A56 PolarHBondContact O-N 3.45Å; Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 3.34Å; A56-Q59 CarbonylContact O-C 3.58Å; A56-Q59 PolarHBondContact O-N 2.84Å; A56-G60 PolarHBondContact O-N 3.47Å; A56-M61 HydrophobicContact CB-CB 4.5Å; A56-M61 PolarHBondContact O-N 3.37Å; A56-H63 HydrophobicContact CB-CB 3.68Å
57Q98.4Very high95.6Very high144 Ų14456.4 Ų56.467%0.67329%0.294SS*.Hα-helixtrans-63.4-50175.6-176.1179.38.400111.8K53 Q54 I55 Q59 G60K53-Q57 WeakPolarHBondContact O-CB 3.3Å; K53-Q57 PolarHBondContact O-N 3.26Å; Q54-Q57 PolarHBondContact O-N 3.17Å; I55-Q57 VanDerWaalsContact C-N 3.33Å; I55-Q57 PolarHBondContact O-N 3.49Å; Q57-Q59 PolarHBondContact O-N 3.21Å; Q57-G60 PolarHBondContact O-N 2.91Å
58D98.2Very high95.8Very high68 Ų6853.9 Ų53.936%0.36428%0.279SS..Hα-helixtrans-56.4-33.1178.3-74.11.7000111.5Q54 I55 Y182Q54-D58 PolarHBondContact NE2-OD1 3.45Å; Q54-D58 WeakPolarHBondContact O-CB 3.29Å; Q54-D58 PolarHBondContact O-N 2.79Å; I55-D58 PolarHBondContact O-N 3.33Å; D58-Y182 WeakPolarHBondContact CB-OH 3.26Å
59Q98Very high95.6Very high37 Ų3754 Ų5417%0.17329%0.286CS..THydrogen-bonded Turntrans-94.4-0.3-179.4-62.8-53.6-52.700114.5L24 F25 I55 A56 Q57 M61 Y182L24-Q59 HydrophobicContact CD2-CB 4.39Å; L24-Q59 HydrophobicContact CD2-CG 4.15Å; F25-Q59 HydrophobicContact CE1-CG 4.46Å; F25-Q59 VanDerWaalsContact CE1-OE1 3.24Å; F25-Q59 HydrophobicContact CZ-CG 4.12Å; I55-Q59 HydrophobicContact CG2-CG 4.22Å; I55-Q59 WeakPolarHBondContact O-CB 3.46Å; I55-Q59 VanDerWaalsContact O-CG 3.23Å; I55-Q59 WeakPolarHBondContact O-CG 3.38Å; I55-Q59 PolarHBondContact O-N 3.25Å; A56-Q59 CarbonylContact O-C 3.58Å; A56-Q59 PolarHBondContact O-N 2.84Å; Q57-Q59 PolarHBondContact O-N 3.21Å; Q59-M61 VanDerWaalsContact C-N 3.29Å; Q59-M61 HydrophobicContact CB-CG 3.82Å; Q59-M61 WeakPolarHBondContact O-CE 3.2Å; Q59-M61 PolarHBondContact O-N 2.87Å; Q59-Y182 PolarHBondContact NE2-OH 3.01Å; Q59-Y182 VanDerWaalsContact NE2-OH 3.15Å
60G98Very high95.2Very high65 Ų6557.4 Ų57.467%0.6730%0.303SS*.THydrogen-bonded Turntrans6529.4-17900000113.9A56 Q57A56-G60 PolarHBondContact O-N 3.47Å; Q57-G60 PolarHBondContact O-N 2.91Å
61M98.2Very high94.6Very high43 Ų4352.7 Ų52.721%0.21228%0.281CS..  trans-94139.1-174.2-63.4-68.496.900111.6L24 K28 V34 L36 A56 Q59 H63L24-M61 HydrophobicContact CD1-CG 3.91Å; L24-M61 HydrophobicContact CD1-SD 3.93Å; K28-M61 HydrophobicContact CD-CE 4.34Å; K28-M61 HydrophobicContact CD-SD 4.16Å; K28-M61 HydrophobicContact CG-SD 4.34Å; V34-M61 HydrophobicContact CB-SD 4.22Å; V34-M61 HydrophobicContact CG1-SD 4.35Å; L36-M61 HydrophobicContact CD1-CB 3.67Å; L36-M61 HydrophobicContact CD1-CG 4.09Å; L36-M61 HydrophobicContact CG-CB 3.99Å; L36-M61 HydrophobicContact CG-CG 4.43Å; A56-M61 HydrophobicContact CB-CB 4.5Å; A56-M61 PolarHBondContact O-N 3.37Å; Q59-M61 VanDerWaalsContact C-N 3.29Å; Q59-M61 HydrophobicContact CB-CG 3.82Å; Q59-M61 WeakPolarHBondContact O-CE 3.2Å; Q59-M61 PolarHBondContact O-N 2.87Å; M61-H63 PolarHBondContact O-N 3.23Å
62K98.4Very high93.4Very high116 Ų11655 Ų5550%0.50430%0.298SS..EExtended strand (participates in β ladder)trans-71126.9166.7-179.5169.3168.9-135.90109.2E35 L36E35-K62 HydrophobicContact CG-CB 4.16Å; E35-K62 HydrophobicContact CG-CD 4.46Å; E35-K62 IonicContact OE1-NZ 3.47Å; E35-K62 PolarHBondContact OE1-NZ 3.45Å; E35-K62 VanDerWaalsContact OE2-CD 3.26Å; E35-K62 WeakPolarHBondContact OE2-CD 3.41Å; E35-K62 VanDerWaalsContact OE2-CE 3.29Å; E35-K62 WeakPolarHBondContact OE2-CE 3.15Å; E35-K62 IonicContact OE2-NZ 2.84Å; E35-K62 PolarHBondContact OE2-NZ 2.88Å; L36-K62 PolarHBondContact N-O 2.86Å
63H98.4Very high92.5Very high43 Ų4362.8 Ų62.820%0.19933%0.334CS..EExtended strand (participates in β ladder)trans-128.8120.5-169.5-176.5-156.9000111.5L36 T38 A56 M61L36-H63 HydrophobicContact CB-CB 4.3Å; T38-H63 WeakPolarHBondContact CB-NE2 3.42Å; T38-H63 PolarHBondContact OG1-NE2 3.35Å; A56-H63 HydrophobicContact CB-CB 3.68Å; M61-H63 PolarHBondContact O-N 3.23Å
64H98.2Very high91.4Very high39 Ų3964.3 Ų64.318%0.18135%0.346CS..EExtended strand (participates in β ladder)trans-97.1127.7175.1-56.1-90.2000109E35 L36 V37 T38 L112E35-H64 IonicContact OE2-CD2 3.73Å; E35-H64 IonicContact OE2-CE1 3.61Å; E35-H64 IonicContact OE2-NE2 2.71Å; E35-H64 PolarHBondContact OE2-NE2 3.12Å; L36-H64 PolarHBondContact O-CD2 3.36Å; L36-H64 PolarHBondContact O-N 3.24Å; V37-H64 CarbonylContact C-O 3.55Å; V37-H64 VanDerWaalsContact CA-O 3.3Å; V37-H64 WeakPolarHBondContact CA-O 3.29Å; V37-H64 HydrophobicContact CG2-CB 4.38Å; T38-H64 PolarHBondContact N-O 2.87Å; H64-L112 HydrophobicContact CB-CD2 3.82Å
65V96.4Very high89.7Confident58 Ų5861 Ų6135%0.35233%0.332SS..EExtended strand (participates in β ladder)trans-109.4114.2170.2-177.50000107.4T38 N40 I49T38-V65 CarbonylContact O-C 3.53Å; T38-V65 WeakPolarHBondContact O-CA 3.49Å; N40-V65 HydrophobicContact CB-CG1 4.17Å; I49-V65 HydrophobicContact CG2-CG1 4.4Å
66L95.2Very high88Confident48 Ų4865.4 Ų65.425%0.25136%0.361SS..EExtended strand (participates in β ladder)trans-98.7123.3179.1-61.3-176.7000109.5V37 T38 F39 N40 M68 F108 L112V37-L66 HydrophobicContact CG2-CD1 3.73Å; V37-L66 HydrophobicContact CG2-CG 3.9Å; T38-L66 PolarHBondContact O-N 2.88Å; F39-L66 HydrophobicContact CD1-CB 4.11Å; F39-L66 HydrophobicContact CD1-CD1 4.4Å; F39-L66 HydrophobicContact CE1-CB 4.39Å; F39-L66 HydrophobicContact CE1-CD1 3.84Å; N40-L66 PolarHBondContact N-O 2.91Å; L66-M68 PolarHBondContact O-N 2.98Å; L66-F108 HydrophobicContact CD1-CB 4.34Å; L66-L112 HydrophobicContact CD1-CD2 4.44Å
67D91.9Very high86.4Confident106 Ų10665.5 Ų65.557%0.56736%0.361SS*.EExtended strand (participates in β ladder)trans-73121.4171.8-175.7-3.6000109.8S69D67-S69 WeakPolarHBondContact OD1-CB 3.3Å; D67-S69 PolarHBondContact OD1-N 3.22Å; D67-S69 PolarHBondContact OD1-OG 2.92Å; D67-S69 PolarHBondContact OD2-OG 2.98Å
68M87.4Confident84.6Confident1 Ų158.6 Ų58.61%0.00533%0.329CS..  trans-122.820-177.2-62.6-65-58.900110.5F39 N40 L66 L70 L71 F105 F108F39-M68 HydrophobicContact CB-CG 3.95Å; F39-M68 HydrophobicContact CD1-CG 3.7Å; F39-M68 HydrophobicContact CD1-SD 4.04Å; F39-M68 HydrophobicContact CG-CG 4.26Å; N40-M68 CarbonylContact O-C 3.59Å; N40-M68 WeakPolarHBondContact O-CA 3.3Å; N40-M68 WeakPolarHBondContact O-CB 3.4Å; N40-M68 PolarHBondContact O-N 3.37Å; L66-M68 PolarHBondContact O-N 2.98Å; M68-L70 PolarHBondContact O-N 3.47Å; M68-L71 HydrophobicContact CB-CD1 4.05Å; M68-L71 HydrophobicContact CB-CG 4.21Å; M68-L71 HydrophobicContact CE-CD1 3.78Å; M68-L71 HydrophobicContact CE-CD2 4.08Å; M68-L71 HydrophobicContact CE-CG 3.9Å; M68-L71 VanDerWaalsContact O-CB 3.3Å; M68-L71 WeakPolarHBondContact O-CB 3.26Å; M68-L71 WeakPolarHBondContact O-CG 3.32Å; M68-L71 PolarHBondContact O-N 3.38Å; M68-F105 HydrophobicContact CE-CD1 4.33Å; M68-F105 HydrophobicContact CE-CE1 4.4Å; M68-F105 HydrophobicContact CG-CE1 4.49Å; M68-F108 HydrophobicContact CE-CD2 3.56Å; M68-F108 HydrophobicContact CE-CE2 3.5Å; M68-F108 VanDerWaalsContact CE-CE2 3.5Å; M68-F108 HydrophobicContact CE-CG 4.2Å; M68-F108 HydrophobicContact CE-CZ 4.05Å; M68-F108 HydrophobicContact SD-CD1 4.04Å; M68-F108 HydrophobicContact SD-CD2 3.92Å; M68-F108 HydrophobicContact SD-CE1 4.09Å; M68-F108 HydrophobicContact SD-CE2 4Å; M68-F108 HydrophobicContact SD-CG 3.95Å; M68-F108 HydrophobicContact SD-CZ 4.08Å
69S81.5Confident82.7Confident58 Ų5856.8 Ų56.841%0.40632%0.319SS..G310 helixtrans-52.7-27.3177.753.30000113.3D67 L71 S72D67-S69 WeakPolarHBondContact OD1-CB 3.3Å; D67-S69 PolarHBondContact OD1-N 3.22Å; D67-S69 PolarHBondContact OD1-OG 2.92Å; D67-S69 PolarHBondContact OD2-OG 2.98Å; S69-L71 PolarHBondContact O-N 3Å; S69-L71 VanDerWaalsContact O-N 3.14Å; S69-S72 WeakPolarHBondContact O-CB 3.11Å; S69-S72 PolarHBondContact O-N 3.26Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.21Å
70L83.1Confident80.9Confident82 Ų8256.6 Ų56.643%0.42932%0.32SS..G310 helixtrans-56.4-26.4172.97490.7000113.5M68 S72 Q73M68-L70 PolarHBondContact O-N 3.47Å; L70-S72 PolarHBondContact O-N 3.07Å; L70-Q73 VanDerWaalsContact O-CB 3.31Å; L70-Q73 WeakPolarHBondContact O-CB 3.24Å; L70-Q73 WeakPolarHBondContact O-CG 3.48Å; L70-Q73 PolarHBondContact O-N 3.37Å
71L80.5Confident79.3Confident4 Ų457.3 Ų57.32%0.02131%0.306CS..G310 helixtrans-61.9-27.7179-67.3-174000112.5M68 S69 Q73 L74 L104 F105M68-L71 HydrophobicContact CB-CD1 4.05Å; M68-L71 HydrophobicContact CB-CG 4.21Å; M68-L71 HydrophobicContact CE-CD1 3.78Å; M68-L71 HydrophobicContact CE-CD2 4.08Å; M68-L71 HydrophobicContact CE-CG 3.9Å; M68-L71 VanDerWaalsContact O-CB 3.3Å; M68-L71 WeakPolarHBondContact O-CB 3.26Å; M68-L71 WeakPolarHBondContact O-CG 3.32Å; M68-L71 PolarHBondContact O-N 3.38Å; S69-L71 PolarHBondContact O-N 3Å; S69-L71 VanDerWaalsContact O-N 3.14Å; L71-Q73 PolarHBondContact O-N 3.16Å; L71-Q73 VanDerWaalsContact O-N 3.16Å; L71-L74 HydrophobicContact CD2-CD1 4.15Å; L71-L74 PolarHBondContact O-N 2.88Å; L71-L104 HydrophobicContact CD2-CB 4.39Å; L71-L104 HydrophobicContact CD2-CD1 3.29Å; L71-L104 HydrophobicContact CD2-CG 4.38Å; L71-F105 HydrophobicContact CD1-CD1 4.46Å; L71-F105 HydrophobicContact CD1-CE1 3.66Å; L71-F105 HydrophobicContact CD1-CZ 4.38Å
72S71.1Confident77.6Confident56 Ų5660.5 Ų60.539%0.39232%0.32SS..G310 helixtrans-59.3-24.8175.365.70000113.1S69 L70 L74S69-S72 WeakPolarHBondContact O-CB 3.11Å; S69-S72 PolarHBondContact O-N 3.26Å; S69-S72 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-OG 3.21Å; L70-S72 PolarHBondContact O-N 3.07Å; S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 3.38Å
73Q76.8Confident76Confident165 Ų16561.9 Ų61.977%0.77133%0.333SS*.G310 helixtrans-73.3-21.9176.7-57.8180-2.400112.8L70 L71L70-Q73 VanDerWaalsContact O-CB 3.31Å; L70-Q73 WeakPolarHBondContact O-CB 3.24Å; L70-Q73 WeakPolarHBondContact O-CG 3.48Å; L70-Q73 PolarHBondContact O-N 3.37Å; L71-Q73 PolarHBondContact O-N 3.16Å; L71-Q73 VanDerWaalsContact O-N 3.16Å
74L74.5Confident74.5Confident117 Ų11762.6 Ų62.661%0.61334%0.338SS*.THydrogen-bonded Turntrans-89-26.8-176.8-62.6178.3000112.8L71 S72 L104L71-L74 HydrophobicContact CD2-CD1 4.15Å; L71-L74 PolarHBondContact O-N 2.88Å; S72-L74 VanDerWaalsContact C-N 3.3Å; S72-L74 PolarHBondContact O-N 3.38Å; L74-L104 HydrophobicContact CD1-CD1 4.03Å
75T62.3Low73.1Confident27 Ų2768.2 Ų68.217%0.16636%0.364CS..  trans-154.6110-175.8-36.10000110.9N77 P99T75-N77 HydrophobicContact CG2-CB 4.47Å; T75-N77 PolarHBondContact O-N 3.27Å; T75-N77 PolarHBondContact O-ND2 3.08Å; T75-P99 HydrophobicContact CG2-CG 4.48Å
76P62.4Low71.7Confident94 Ų9469 Ų6961%0.6137%0.365SS*.  trans-61.6117161-13.427.4000108
77N64.9Low70.3Confident4 Ų469.7 Ų69.72%0.02137%0.372CS..  trans-149.4167.6-179.870.476.5000110.2T75 L79 T80 Q81 N95 V98T75-N77 HydrophobicContact CG2-CB 4.47Å; T75-N77 PolarHBondContact O-N 3.27Å; T75-N77 PolarHBondContact O-ND2 3.08Å; N77-L79 PolarHBondContact O-N 2.74Å; N77-L79 WeakPolarHBondContact OD1-CA 3.42Å; N77-L79 WeakPolarHBondContact OD1-CB 3.35Å; N77-L79 PolarHBondContact OD1-N 3.14Å; N77-T80 PolarHBondContact N-OG1 3.36Å; N77-T80 PolarHBondContact ND2-OG1 2.82Å; N77-T80 PolarHBondContact O-N 2.92Å; N77-T80 PolarHBondContact O-OG1 2.77Å; N77-Q81 PolarHBondContact O-N 3.45Å; N77-N95 WeakPolarHBondContact CB-O 3.22Å; N77-V98 HydrophobicContact CB-CG2 4.46Å; N77-V98 WeakPolarHBondContact ND2-CG2 3.27Å
78A60.7Low69.1Low0 Ų070.4 Ų70.40%038%0.375CS..THydrogen-bonded Turntrans-69.8-8.5-170.700000113.7M84 I86 N95 T96A78-M84 VanDerWaalsContact CA-CE 3.47Å; A78-M84 HydrophobicContact CB-CB 4.18Å; A78-M84 HydrophobicContact CB-CE 3.72Å; A78-M84 HydrophobicContact CB-CG 4.23Å; A78-I86 HydrophobicContact CB-CG1 4.12Å; A78-N95 PolarHBondContact N-O 2.93Å; A78-T96 HydrophobicContact CB-CG2 3.97Å
79L58.7Low68Low29 Ų2974 Ų7415%0.15240%0.395CS..THydrogen-bonded Turntrans-83.3-26.8172-55.9171.3000111.9Y41 N77 T96 V98Y41-L79 HydrophobicContact CE2-CB 4.24Å; Y41-L79 HydrophobicContact CE2-CD1 3.91Å; N77-L79 PolarHBondContact O-N 2.74Å; N77-L79 WeakPolarHBondContact OD1-CA 3.42Å; N77-L79 WeakPolarHBondContact OD1-CB 3.35Å; N77-L79 PolarHBondContact OD1-N 3.14Å; L79-T96 WeakPolarHBondContact CD1-O 3.43Å; L79-T96 HydrophobicContact CD2-CG2 3.96Å; L79-T96 HydrophobicContact CG-CG2 4.05Å; L79-V98 HydrophobicContact CD1-CG2 4.49Å
80T60.1Low67.2Low33 Ų3381.3 Ų81.320%0.20242%0.422CS..THydrogen-bonded Turntrans-105.8-18.3-179.4570000113.3N77N77-T80 PolarHBondContact N-OG1 3.36Å; N77-T80 PolarHBondContact ND2-OG1 2.82Å; N77-T80 PolarHBondContact O-N 2.92Å; N77-T80 PolarHBondContact O-OG1 2.77Å
81Q65.6Low66.4Low81 Ų8182.6 Ų82.638%0.37943%0.43SS..  trans-10896.9173.1-68.1-172.4-34.900109.9N77 D83 M84N77-Q81 PolarHBondContact O-N 3.45Å; Q81-D83 PolarHBondContact O-N 2.87Å; Q81-D83 VanDerWaalsContact O-N 3.14Å; Q81-M84 HydrophobicContact CB-CB 4.24Å; Q81-M84 PolarHBondContact O-N 3.1Å; Q81-M84 VanDerWaalsContact O-N 3.1Å
82H62.3Low65.6Low109 Ų10984.5 Ų84.551%0.50545%0.451SS..THydrogen-bonded Turntrans-65-16.7-172-59.9-61.3000114.8
83D64.6Low65.2Low146 Ų14683.9 Ų83.978%0.78144%0.442SS*.THydrogen-bonded Turntrans-88.1-11177.460.6-31.9000113.8Q81Q81-D83 PolarHBondContact O-N 2.87Å; Q81-D83 VanDerWaalsContact O-N 3.14Å
84M66.6Low64.8Low58 Ų5876.6 Ų76.629%0.28641%0.41SS..SBendtrans-84.5127.9-179.9-168.2158.164.400111.6A78 Q81A78-M84 VanDerWaalsContact CA-CE 3.47Å; A78-M84 HydrophobicContact CB-CB 4.18Å; A78-M84 HydrophobicContact CB-CE 3.72Å; A78-M84 HydrophobicContact CB-CG 4.23Å; Q81-M84 HydrophobicContact CB-CB 4.24Å; Q81-M84 PolarHBondContact O-N 3.1Å; Q81-M84 VanDerWaalsContact O-N 3.1Å
85E68.8Low64.4Low156 Ų15671.9 Ų71.973%0.72939%0.385SS*.  trans-65.1141.2171.4-75.4-169.4160.800110.6T87 N95E85-T87 HydrophobicContact CB-CG2 4.23Å; E85-T87 PolarHBondContact O-N 2.88Å; E85-N95 PolarHBondContact O-ND2 2.9Å
86I66.6Low64.4Low74 Ų7471.6 Ų71.638%0.37938%0.383SS..  trans-76.3110.8174.2-63.2173.9000107.6A78 N95 T96A78-I86 HydrophobicContact CB-CG1 4.12Å; I86-N95 WeakPolarHBondContact CA-OD1 3.48Å; I86-T96 HydrophobicContact CB-CG2 4.37Å; I86-T96 HydrophobicContact CD1-CG2 4.08Å; I86-T96 HydrophobicContact CG1-CG2 3.82Å; I86-T96 HydrophobicContact CG2-CG2 3.82Å
87T66.8Low64.6Low64 Ų6469.2 Ų69.239%0.39336%0.363SS..  trans-127.9154.818060.90000110.5E85 P94 N95E85-T87 HydrophobicContact CB-CG2 4.23Å; E85-T87 PolarHBondContact O-N 2.88Å; T87-P94 WeakPolarHBondContact O-CA 3.18Å; T87-N95 PolarHBondContact N-OD1 3Å; T87-N95 PolarHBondContact O-N 2.77Å; T87-N95 PolarHBondContact O-OD1 3.33Å; T87-N95 PolarHBondContact OG1-ND2 2.93Å
88N65.8Low64.8Low121 Ų12169.3 Ų69.365%0.64736%0.364SS*.BIsolated β-bridgetrans-83.3131166.1-66.2-23000108.7
89N64.7Low65.5Low76 Ų7672.5 Ų72.541%0.40638%0.384SS..  trans-72.6167.9173.1-64-21.9000110.3D91 G92 I93N89-D91 WeakPolarHBondContact CB-OD1 3.21Å; N89-D91 PolarHBondContact O-N 2.9Å; N89-D91 VanDerWaalsContact O-N 3.16Å; N89-G92 WeakPolarHBondContact O-CA 3.11Å; N89-G92 PolarHBondContact O-N 3.27Å; N89-I93 VanDerWaalsContact CB-O 3.24Å; N89-I93 WeakPolarHBondContact CB-O 3.24Å; N89-I93 PolarHBondContact N-O 2.63Å; N89-I93 PolarHBondContact ND2-O 2.96Å
90E64.3Low66.5Low212 Ų21273.1 Ų73.199%0.99139%0.394SS*.THydrogen-bonded Turntrans-60.1-24.7-179.7-65.1-174.5168.500113.6G92E90-G92 PolarHBondContact O-N 3.29Å
91D65.5Low67.7Low108 Ų10874.1 Ų74.158%0.57839%0.394SS*.THydrogen-bonded Turntrans-80.90.1174.762.51.8000113.4N89 I93N89-D91 WeakPolarHBondContact CB-OD1 3.21Å; N89-D91 PolarHBondContact O-N 2.9Å; N89-D91 VanDerWaalsContact O-N 3.16Å; D91-I93 VanDerWaalsContact C-N 3.27Å; D91-I93 PolarHBondContact O-N 3.04Å; D91-I93 WeakPolarHBondContact OD1-CB 3.13Å; D91-I93 PolarHBondContact OD1-N 3.02Å
92G64.5Low69Low45 Ų4570.9 Ų70.946%0.46438%0.379SS..SBendtrans82.3-2.3-17800000114.3N89 E90N89-G92 WeakPolarHBondContact O-CA 3.11Å; N89-G92 PolarHBondContact O-N 3.27Å; E90-G92 PolarHBondContact O-N 3.29Å
93I63.7Low70.5Confident42 Ų4269 Ų6922%0.21537%0.372CS..  trans-85.1125.9179.3-57.9179.8000108.5N89 D91 F97 Y133N89-I93 VanDerWaalsContact CB-O 3.24Å; N89-I93 WeakPolarHBondContact CB-O 3.24Å; N89-I93 PolarHBondContact N-O 2.63Å; N89-I93 PolarHBondContact ND2-O 2.96Å; D91-I93 VanDerWaalsContact C-N 3.27Å; D91-I93 PolarHBondContact O-N 3.04Å; D91-I93 WeakPolarHBondContact OD1-CB 3.13Å; D91-I93 PolarHBondContact OD1-N 3.02Å; I93-F97 HydrophobicContact CG2-CB 3.45Å; I93-F97 VanDerWaalsContact CG2-CB 3.45Å; I93-F97 HydrophobicContact CG2-CD1 3.83Å; I93-F97 HydrophobicContact CG2-CG 3.69Å; I93-Y133 HydrophobicContact CG2-CE1 4.11Å
94P66.4Low71.9Confident13 Ų1363.9 Ų63.98%0.08435%0.345CS..BIsolated β-bridgetrans-58.4142.4174.4-25.635.7000111.6T87 T96 F97 Y133T87-P94 WeakPolarHBondContact O-CA 3.18Å; P94-T96 WeakPolarHBondContact CB-OG1 3.41Å; P94-T96 PolarHBondContact O-N 2.76Å; P94-F97 VanDerWaalsContact O-CB 3.28Å; P94-F97 WeakPolarHBondContact O-CB 3.15Å; P94-F97 PolarHBondContact O-N 2.92Å; P94-Y133 WeakPolarHBondContact CD-OH 3.5Å; P94-Y133 VanDerWaalsContact CG-OH 3.3Å; P94-Y133 WeakPolarHBondContact CG-OH 3.47Å
95N67.4Low73.2Confident18 Ų1862 Ų6210%0.09634%0.335CS..THydrogen-bonded Turntrans-67.86.2173.373.3-13.1000114.1N77 A78 E85 I86 T87N77-N95 WeakPolarHBondContact CB-O 3.22Å; A78-N95 PolarHBondContact N-O 2.93Å; E85-N95 PolarHBondContact O-ND2 2.9Å; I86-N95 WeakPolarHBondContact CA-OD1 3.48Å; T87-N95 PolarHBondContact N-OD1 3Å; T87-N95 PolarHBondContact O-N 2.77Å; T87-N95 PolarHBondContact O-OD1 3.33Å; T87-N95 PolarHBondContact OG1-ND2 2.93Å
96T62.9Low74.6Confident20 Ų2054.7 Ų54.712%0.12330%0.301CS..THydrogen-bonded Turntrans-89.3-3.716753.30000112.2A78 L79 I86 P94 V98A78-T96 HydrophobicContact CB-CG2 3.97Å; L79-T96 WeakPolarHBondContact CD1-O 3.43Å; L79-T96 HydrophobicContact CD2-CG2 3.96Å; L79-T96 HydrophobicContact CG-CG2 4.05Å; I86-T96 HydrophobicContact CB-CG2 4.37Å; I86-T96 HydrophobicContact CD1-CG2 4.08Å; I86-T96 HydrophobicContact CG1-CG2 3.82Å; I86-T96 HydrophobicContact CG2-CG2 3.82Å; P94-T96 WeakPolarHBondContact CB-OG1 3.41Å; P94-T96 PolarHBondContact O-N 2.76Å; T96-V98 PolarHBondContact O-N 3.24Å
97F66.5Low76.1Confident45 Ų4553.1 Ų53.120%0.19730%0.297CS..  trans-66124.4175.3-174.4-127.4000110.9I93 P94 P99 Y133I93-F97 HydrophobicContact CG2-CB 3.45Å; I93-F97 VanDerWaalsContact CG2-CB 3.45Å; I93-F97 HydrophobicContact CG2-CD1 3.83Å; I93-F97 HydrophobicContact CG2-CG 3.69Å; P94-F97 VanDerWaalsContact O-CB 3.28Å; P94-F97 WeakPolarHBondContact O-CB 3.15Å; P94-F97 PolarHBondContact O-N 2.92Å; F97-P99 HydrophobicContact CD1-CG 3.98Å; F97-P99 HydrophobicContact CE1-CB 4.05Å; F97-P99 HydrophobicContact CE1-CG 3.76Å; F97-P99 HydrophobicContact CZ-CB 4.43Å; F97-Y133 HydrophobicContact CB-CD1 4.39Å; F97-Y133 HydrophobicContact CB-CE1 3.72Å; F97-Y133 AromaticContact CD2-CD1 3.08Å; F97-Y133 HydrophobicContact CD2-CD1 3.08Å; F97-Y133 AromaticContact CD2-CE1 3.27Å; F97-Y133 HydrophobicContact CD2-CE1 3.27Å; F97-Y133 HydrophobicContact CD2-CG 4.14Å; F97-Y133 AromaticContact CE2-CD1 3.46Å; F97-Y133 HydrophobicContact CE2-CD1 3.46Å; F97-Y133 VanDerWaalsContact CE2-CD1 3.46Å; F97-Y133 HydrophobicContact CE2-CE1 4.12Å; F97-Y133 HydrophobicContact CE2-CG 4.25Å; F97-Y133 AromaticContact CG-CD1 3.92Å; F97-Y133 HydrophobicContact CG-CD1 3.92Å; F97-Y133 AromaticContact CG-CE1 3.75Å; F97-Y133 HydrophobicContact CG-CE1 3.75Å
98V69.2Low77.6Confident5 Ų553.9 Ų53.93%0.0330%0.295CS..  trans-108.3106.7168.1-174.10000106.3N77 L79 T96 A100 R101N77-V98 HydrophobicContact CB-CG2 4.46Å; N77-V98 WeakPolarHBondContact ND2-CG2 3.27Å; L79-V98 HydrophobicContact CD1-CG2 4.49Å; T96-V98 PolarHBondContact O-N 3.24Å; V98-A100 PolarHBondContact O-N 2.88Å; V98-R101 HydrophobicContact CB-CB 4.01Å; V98-R101 HydrophobicContact CB-CG 4.46Å; V98-R101 HydrophobicContact CG1-CB 4.37Å; V98-R101 VanDerWaalsContact O-CB 3.3Å; V98-R101 WeakPolarHBondContact O-CB 3.16Å; V98-R101 PolarHBondContact O-N 2.83Å; V98-R101 VanDerWaalsContact O-N 3.12Å
99P75.3Confident79.1Confident67 Ų6748.1 Ų48.144%0.43526%0.264SS..THydrogen-bonded Turntrans-50.2135.6176.8-2734000111.5T75 F97 R101T75-P99 HydrophobicContact CG2-CG 4.48Å; F97-P99 HydrophobicContact CD1-CG 3.98Å; F97-P99 HydrophobicContact CE1-CB 4.05Å; F97-P99 HydrophobicContact CE1-CG 3.76Å; F97-P99 HydrophobicContact CZ-CB 4.43Å; P99-R101 PolarHBondContact O-N 2.83Å
100A79.6Confident80.7Confident43 Ų4344.5 Ų44.536%0.35525%0.245SC..THydrogen-bonded Turntrans62.516.8179.700000115.9V98 N102 L103 L104V98-A100 PolarHBondContact O-N 2.88Å; A100-N102 PolarHBondContact O-N 3.07Å; A100-L103 HydrophobicContact CB-CB 4.18Å; A100-L103 WeakPolarHBondContact O-CB 3.42Å; A100-L103 PolarHBondContact O-N 2.95Å; A100-L104 WeakPolarHBondContact O-CG 3.16Å; A100-L104 PolarHBondContact O-N 2.8Å
101R85.6Confident82.3Confident54 Ų5436.7 Ų36.720%0.20422%0.216CC..Hα-helixtrans-56.1-51178.7-171-174.967.6-169.9-5.7112.8V98 P99 L103 L104 F105V98-R101 HydrophobicContact CB-CB 4.01Å; V98-R101 HydrophobicContact CB-CG 4.46Å; V98-R101 HydrophobicContact CG1-CB 4.37Å; V98-R101 VanDerWaalsContact O-CB 3.3Å; V98-R101 WeakPolarHBondContact O-CB 3.16Å; V98-R101 PolarHBondContact O-N 2.83Å; V98-R101 VanDerWaalsContact O-N 3.12Å; P99-R101 PolarHBondContact O-N 2.83Å; R101-L103 VanDerWaalsContact C-N 3.3Å; R101-L103 PolarHBondContact O-N 2.7Å; R101-L104 PolarHBondContact O-N 3.43Å; R101-F105 HydrophobicContact CG-CD1 4.44Å; R101-F105 HydrophobicContact CG-CD2 3.93Å; R101-F105 HydrophobicContact CG-CE1 3.97Å; R101-F105 HydrophobicContact CG-CE2 3.4Å; R101-F105 VanDerWaalsContact CG-CE2 3.4Å; R101-F105 HydrophobicContact CG-CG 4.42Å; R101-F105 HydrophobicContact CG-CZ 3.41Å; R101-F105 VanDerWaalsContact CG-CZ 3.41Å; R101-F105 WeakPolarHBondContact O-CB 3.42Å; R101-F105 VanDerWaalsContact O-CG 3.29Å; R101-F105 WeakPolarHBondContact O-CG 3.45Å; R101-F105 PolarHBondContact O-N 2.87Å
102N90.9Very high83.9Confident13 Ų1332.6 Ų32.67%0.0720%0.195CC..Hα-helixtrans-71-28.8-179.2-67.1-19000112A100 L106 D135 C136 F140A100-N102 PolarHBondContact O-N 3.07Å; N102-L106 VanDerWaalsContact O-CB 3.27Å; N102-L106 WeakPolarHBondContact O-CB 3.26Å; N102-L106 VanDerWaalsContact O-CG 3.22Å; N102-L106 WeakPolarHBondContact O-CG 3.4Å; N102-L106 PolarHBondContact O-N 2.77Å; N102-D135 HydrophobicContact CB-CB 4.01Å; N102-D135 WeakPolarHBondContact CB-O 3.36Å; N102-D135 VanDerWaalsContact CB-OD2 3.24Å; N102-D135 WeakPolarHBondContact CB-OD2 3.46Å; N102-D135 PolarHBondContact N-OD2 3.49Å; N102-D135 PolarHBondContact ND2-O 2.89Å; N102-C136 PolarHBondContact ND2-SG 2.94Å; N102-F140 HydrophobicContact CB-CE1 4.3Å
103L94.7Very high85.5Confident68 Ų6830.5 Ų30.536%0.35617%0.172SC..Hα-helixtrans-59.5-48.7170.4179160.3000110.6A100 R101 S107 F140 M144A100-L103 HydrophobicContact CB-CB 4.18Å; A100-L103 WeakPolarHBondContact O-CB 3.42Å; A100-L103 PolarHBondContact O-N 2.95Å; R101-L103 VanDerWaalsContact C-N 3.3Å; R101-L103 PolarHBondContact O-N 2.7Å; L103-S107 WeakPolarHBondContact O-CB 3.33Å; L103-S107 PolarHBondContact O-N 2.98Å; L103-S107 PolarHBondContact O-OG 3.48Å; L103-F140 HydrophobicContact CB-CE2 4.08Å; L103-F140 HydrophobicContact CB-CZ 3.87Å; L103-F140 HydrophobicContact CD1-CE2 4.43Å; L103-F140 HydrophobicContact CG-CE2 4.49Å; L103-M144 HydrophobicContact CG-SD 4.5Å
104L94.1Very high87.1Confident39 Ų3933.1 Ų33.120%0.20418%0.181CC..Hα-helixtrans-65.4-49.9178.4-65.3169.3000110.1L71 L74 A100 R101 L106 S107 F108L71-L104 HydrophobicContact CD2-CB 4.39Å; L71-L104 HydrophobicContact CD2-CD1 3.29Å; L71-L104 HydrophobicContact CD2-CG 4.38Å; L74-L104 HydrophobicContact CD1-CD1 4.03Å; A100-L104 WeakPolarHBondContact O-CG 3.16Å; A100-L104 PolarHBondContact O-N 2.8Å; R101-L104 PolarHBondContact O-N 3.43Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L104-L106 PolarHBondContact O-N 3.16Å; L104-S107 WeakPolarHBondContact O-CA 3.4Å; L104-S107 VanDerWaalsContact O-CB 3.3Å; L104-S107 WeakPolarHBondContact O-CB 3.48Å; L104-S107 PolarHBondContact O-N 2.99Å; L104-F108 VanDerWaalsContact O-CD2 3.28Å; L104-F108 WeakPolarHBondContact O-CD2 3.47Å; L104-F108 PolarHBondContact O-N 3.46Å
105F94.9Very high88.6Confident18 Ų1839.7 Ų39.78%0.07921%0.21CC..Hα-helixtrans-55.8-45.4178-69.6-7.4000113F39 Y41 M68 L71 R101 S107 F108 A109F39-F105 HydrophobicContact CB-CD1 3.96Å; F39-F105 HydrophobicContact CB-CE1 3.65Å; F39-F105 HydrophobicContact CB-CE2 4.4Å; F39-F105 HydrophobicContact CB-CG 4.49Å; F39-F105 HydrophobicContact CB-CZ 3.9Å; F39-F105 HydrophobicContact CD1-CD1 4.05Å; F39-F105 HydrophobicContact CD1-CE1 4.46Å; F39-F105 HydrophobicContact CD2-CB 3.78Å; F39-F105 AromaticContact CD2-CD1 3.69Å; F39-F105 HydrophobicContact CD2-CD1 3.69Å; F39-F105 AromaticContact CD2-CD2 3.85Å; F39-F105 HydrophobicContact CD2-CD2 3.85Å; F39-F105 HydrophobicContact CD2-CE1 4.21Å; F39-F105 HydrophobicContact CD2-CE2 4.33Å; F39-F105 AromaticContact CD2-CG 3.5Å; F39-F105 HydrophobicContact CD2-CG 3.5Å; F39-F105 HydrophobicContact CE2-CB 3.52Å; F39-F105 HydrophobicContact CE2-CD1 4.21Å; F39-F105 HydrophobicContact CE2-CD2 4.4Å; F39-F105 AromaticContact CE2-CG 3.82Å; F39-F105 HydrophobicContact CE2-CG 3.82Å; F39-F105 HydrophobicContact CG-CB 4.5Å; F39-F105 AromaticContact CG-CD1 3.61Å; F39-F105 HydrophobicContact CG-CD1 3.61Å; F39-F105 HydrophobicContact CG-CD2 4.45Å; F39-F105 AromaticContact CG-CE1 3.85Å; F39-F105 HydrophobicContact CG-CE1 3.85Å; F39-F105 AromaticContact CG-CG 3.95Å; F39-F105 HydrophobicContact CG-CG 3.95Å; F39-F105 HydrophobicContact CG-CZ 4.38Å; F39-F105 HydrophobicContact CZ-CB 4.04Å; F39-F105 HydrophobicContact CZ-CG 4.49Å; F39-F105 WeakPolarHBondContact CZ-O 3.49Å; Y41-F105 HydrophobicContact CD1-CE1 4.22Å; Y41-F105 HydrophobicContact CD1-CE2 4.44Å; Y41-F105 AromaticContact CD1-CZ 3.51Å; Y41-F105 HydrophobicContact CD1-CZ 3.51Å; Y41-F105 HydrophobicContact CE1-CE2 4.2Å; Y41-F105 AromaticContact CE1-CZ 3.67Å; Y41-F105 HydrophobicContact CE1-CZ 3.67Å; Y41-F105 HydrophobicContact CG-CZ 4.19Å; M68-F105 HydrophobicContact CE-CD1 4.33Å; M68-F105 HydrophobicContact CE-CE1 4.4Å; M68-F105 HydrophobicContact CG-CE1 4.49Å; L71-F105 HydrophobicContact CD1-CD1 4.46Å; L71-F105 HydrophobicContact CD1-CE1 3.66Å; L71-F105 HydrophobicContact CD1-CZ 4.38Å; R101-F105 HydrophobicContact CG-CD1 4.44Å; R101-F105 HydrophobicContact CG-CD2 3.93Å; R101-F105 HydrophobicContact CG-CE1 3.97Å; R101-F105 HydrophobicContact CG-CE2 3.4Å; R101-F105 VanDerWaalsContact CG-CE2 3.4Å; R101-F105 HydrophobicContact CG-CG 4.42Å; R101-F105 HydrophobicContact CG-CZ 3.41Å; R101-F105 VanDerWaalsContact CG-CZ 3.41Å; R101-F105 WeakPolarHBondContact O-CB 3.42Å; R101-F105 VanDerWaalsContact O-CG 3.29Å; R101-F105 WeakPolarHBondContact O-CG 3.45Å; R101-F105 PolarHBondContact O-N 2.87Å; F105-S107 VanDerWaalsContact C-N 3.31Å; F105-S107 PolarHBondContact O-N 2.98Å; F105-F108 PolarHBondContact O-N 3.16Å; F105-A109 VanDerWaalsContact O-CB 3.26Å; F105-A109 WeakPolarHBondContact O-CB 3.31Å; F105-A109 PolarHBondContact O-N 2.91Å
106L97.7Very high90Very high3 Ų340.2 Ų40.22%0.01621%0.213CC..Hα-helixtrans-67.8-32.1176.9-70171.1000112.2N102 L104 G110 I121 T123 F140 I141 M144 I158N102-L106 VanDerWaalsContact O-CB 3.27Å; N102-L106 WeakPolarHBondContact O-CB 3.26Å; N102-L106 VanDerWaalsContact O-CG 3.22Å; N102-L106 WeakPolarHBondContact O-CG 3.4Å; N102-L106 PolarHBondContact O-N 2.77Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L104-L106 PolarHBondContact O-N 3.16Å; L106-G110 PolarHBondContact O-N 2.92Å; L106-I121 HydrophobicContact CD2-CG2 4.35Å; L106-T123 HydrophobicContact CD2-CG2 4.05Å; L106-F140 HydrophobicContact CD1-CE1 3.92Å; L106-F140 HydrophobicContact CD1-CZ 4.3Å; L106-I141 HydrophobicContact CD1-CD1 3.5Å; L106-M144 HydrophobicContact CB-CE 3.98Å; L106-M144 HydrophobicContact CB-CG 3.95Å; L106-M144 HydrophobicContact CD1-CB 4.48Å; L106-M144 HydrophobicContact CD1-CG 3.95Å; L106-I158 HydrophobicContact CD2-CG2 4.49Å
107S97.5Very high91.7Very high42 Ų4240.5 Ų40.529%0.29422%0.22SC..Hα-helixtrans-63.3-49.5173.2-57.50000111.5L103 L104 F105 G110 A111 M144L103-S107 WeakPolarHBondContact O-CB 3.33Å; L103-S107 PolarHBondContact O-N 2.98Å; L103-S107 PolarHBondContact O-OG 3.48Å; L104-S107 WeakPolarHBondContact O-CA 3.4Å; L104-S107 VanDerWaalsContact O-CB 3.3Å; L104-S107 WeakPolarHBondContact O-CB 3.48Å; L104-S107 PolarHBondContact O-N 2.99Å; F105-S107 VanDerWaalsContact C-N 3.31Å; F105-S107 PolarHBondContact O-N 2.98Å; S107-G110 PolarHBondContact O-N 2.64Å; S107-A111 PolarHBondContact O-N 3.05Å; S107-M144 WeakPolarHBondContact OG-CE 3.4Å
108F97.5Very high93.2Very high79 Ų7938.4 Ų38.435%0.34621%0.21SC..Hα-helixtrans-68-39.6178-80.2-91000112.1F39 L66 M68 L104 F105 G110 A111 L112F39-F108 HydrophobicContact CE1-CB 3.65Å; F39-F108 HydrophobicContact CZ-CB 4.2Å; L66-F108 HydrophobicContact CD1-CB 4.34Å; M68-F108 HydrophobicContact CE-CD2 3.56Å; M68-F108 HydrophobicContact CE-CE2 3.5Å; M68-F108 VanDerWaalsContact CE-CE2 3.5Å; M68-F108 HydrophobicContact CE-CG 4.2Å; M68-F108 HydrophobicContact CE-CZ 4.05Å; M68-F108 HydrophobicContact SD-CD1 4.04Å; M68-F108 HydrophobicContact SD-CD2 3.92Å; M68-F108 HydrophobicContact SD-CE1 4.09Å; M68-F108 HydrophobicContact SD-CE2 4Å; M68-F108 HydrophobicContact SD-CG 3.95Å; M68-F108 HydrophobicContact SD-CZ 4.08Å; L104-F108 VanDerWaalsContact O-CD2 3.28Å; L104-F108 WeakPolarHBondContact O-CD2 3.47Å; L104-F108 PolarHBondContact O-N 3.46Å; F105-F108 PolarHBondContact O-N 3.16Å; F108-G110 VanDerWaalsContact C-N 3.32Å; F108-G110 PolarHBondContact O-N 3.36Å; F108-A111 PolarHBondContact O-N 3.24Å; F108-L112 WeakPolarHBondContact O-CB 3.45Å; F108-L112 PolarHBondContact O-N 3.24Å
109A98.4Very high94.6Very high0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-61.7-40.4173.500000111.5V13 V37 F39 F105 L112 A113 I121V13-A109 HydrophobicContact CG2-CB 3.87Å; V37-A109 HydrophobicContact CG1-CB 4.29Å; F39-A109 HydrophobicContact CZ-CB 4.1Å; F105-A109 VanDerWaalsContact O-CB 3.26Å; F105-A109 WeakPolarHBondContact O-CB 3.31Å; F105-A109 PolarHBondContact O-N 2.91Å; A109-L112 PolarHBondContact O-N 3.3Å; A109-A113 VanDerWaalsContact O-CB 3.27Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 2.86Å; A109-I121 HydrophobicContact CB-CG2 4.2Å
110G98.4Very high95.7Very high0 Ų037.8 Ų37.80%020%0.2CC..Hα-helixtrans-63.7-45.3174.600000113L106 S107 F108 L112 A113 Y114L106-G110 PolarHBondContact O-N 2.92Å; S107-G110 PolarHBondContact O-N 2.64Å; F108-G110 VanDerWaalsContact C-N 3.32Å; F108-G110 PolarHBondContact O-N 3.36Å; G110-L112 VanDerWaalsContact C-N 3.33Å; G110-L112 PolarHBondContact O-N 3.27Å; G110-A113 WeakPolarHBondContact O-CB 3.18Å; G110-A113 PolarHBondContact O-N 3.49Å; G110-Y114 PolarHBondContact O-N 3.39Å
111A98.1Very high96.7Very high48 Ų4835.7 Ų35.740%0.39718%0.183SC..Hα-helixtrans-61.7-40.6175.100000112.1S107 F108 Y114 Q115S107-A111 PolarHBondContact O-N 3.05Å; F108-A111 PolarHBondContact O-N 3.24Å; A111-Y114 WeakPolarHBondContact O-CB 3.23Å; A111-Y114 PolarHBondContact O-N 3.23Å; A111-Q115 WeakPolarHBondContact O-CG 3.24Å; A111-Q115 PolarHBondContact O-N 3.48Å
112L98.4Very high97.3Very high23 Ų2333.1 Ų33.112%0.1217%0.174CC..Hα-helixtrans-66.5-44173.9179.761.3000111.5I11 V37 H64 L66 F108 A109 G110 Y114 Q115 I116I11-L112 HydrophobicContact CD1-CD2 4.09Å; V37-L112 HydrophobicContact CB-CD2 3.77Å; V37-L112 HydrophobicContact CG2-CD2 3.66Å; H64-L112 HydrophobicContact CB-CD2 3.82Å; L66-L112 HydrophobicContact CD1-CD2 4.44Å; F108-L112 WeakPolarHBondContact O-CB 3.45Å; F108-L112 PolarHBondContact O-N 3.24Å; A109-L112 PolarHBondContact O-N 3.3Å; G110-L112 VanDerWaalsContact C-N 3.33Å; G110-L112 PolarHBondContact O-N 3.27Å; L112-Y114 VanDerWaalsContact C-N 3.27Å; L112-Y114 PolarHBondContact O-N 2.98Å; L112-Q115 PolarHBondContact O-N 3.35Å; L112-Q115 VanDerWaalsContact O-N 3.07Å; L112-I116 HydrophobicContact CD1-CG2 3.99Å; L112-I116 WeakPolarHBondContact O-CG1 2.94Å; L112-I116 PolarHBondContact O-N 3.41Å
113A98.6Very high97.6Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-56.1-43.4176.700000111.3I11 A109 G110 Q115 I116 G117 A118 I121 F156I11-A113 HydrophobicContact CG2-CB 3.87Å; A109-A113 VanDerWaalsContact O-CB 3.27Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 2.86Å; G110-A113 WeakPolarHBondContact O-CB 3.18Å; G110-A113 PolarHBondContact O-N 3.49Å; A113-Q115 PolarHBondContact O-N 2.89Å; A113-I116 PolarHBondContact O-N 3.29Å; A113-G117 PolarHBondContact O-N 3.46Å; A113-A118 HydrophobicContact CB-CB 4.18Å; A113-A118 PolarHBondContact O-N 3.06Å; A113-I121 HydrophobicContact CB-CD1 4.22Å; A113-I121 HydrophobicContact CB-CG1 3.99Å; A113-F156 HydrophobicContact CB-CD1 4.36Å; A113-F156 HydrophobicContact CB-CE1 3.76Å
114Y98Very high97.7Very high98 Ų9830.3 Ų30.338%0.38416%0.162SC..Hα-helixtrans-55.1-51.8172.8-175.9-85.6000111.6G110 A111 L112 I116 G117 M152 K154 F156G110-Y114 PolarHBondContact O-N 3.39Å; A111-Y114 WeakPolarHBondContact O-CB 3.23Å; A111-Y114 PolarHBondContact O-N 3.23Å; L112-Y114 VanDerWaalsContact C-N 3.27Å; L112-Y114 PolarHBondContact O-N 2.98Å; Y114-I116 VanDerWaalsContact C-N 3.35Å; Y114-I116 PolarHBondContact O-N 3.41Å; Y114-G117 PolarHBondContact O-N 3.26Å; Y114-M152 HydrophobicContact CD2-CB 3.97Å; Y114-M152 HydrophobicContact CD2-CG 4.37Å; Y114-M152 HydrophobicContact CD2-SD 4.17Å; Y114-M152 HydrophobicContact CE2-CB 4.3Å; Y114-M152 HydrophobicContact CG-SD 4.25Å; Y114-K154 HydrophobicContact CD2-CG 3.92Å; Y114-K154 HydrophobicContact CE2-CD 4.46Å; Y114-K154 HydrophobicContact CE2-CG 3.81Å; Y114-F156 HydrophobicContact CD2-CZ 4.29Å
115Q97.5Very high97.6Very high151 Ų15129.3 Ų29.371%0.70616%0.158SC*.Hα-helixtrans-64.1-36.6-177.1-68.9-64-34.300113A111 L112 A113A111-Q115 WeakPolarHBondContact O-CG 3.24Å; A111-Q115 PolarHBondContact O-N 3.48Å; L112-Q115 PolarHBondContact O-N 3.35Å; L112-Q115 VanDerWaalsContact O-N 3.07Å; A113-Q115 PolarHBondContact O-N 2.89Å
116I97.4Very high97.3Very high29 Ų2929.2 Ų29.215%0.14916%0.159CC..Hα-helixtrans-91.21.6-179.672.3175.8000113.6K9 I11 E35 L112 A113 Y114 A118K9-I116 WeakPolarHBondContact CE-O 3.28Å; K9-I116 PolarHBondContact NZ-O 2.9Å; I11-I116 HydrophobicContact CB-CD1 4.31Å; I11-I116 HydrophobicContact CD1-CD1 3.93Å; E35-I116 HydrophobicContact CB-CD1 4.13Å; E35-I116 HydrophobicContact CG-CD1 4.33Å; L112-I116 HydrophobicContact CD1-CG2 3.99Å; L112-I116 WeakPolarHBondContact O-CG1 2.94Å; L112-I116 PolarHBondContact O-N 3.41Å; A113-I116 PolarHBondContact O-N 3.29Å; Y114-I116 VanDerWaalsContact C-N 3.35Å; Y114-I116 PolarHBondContact O-N 3.41Å; I116-A118 HydrophobicContact CD1-CB 4.04Å; I116-A118 HydrophobicContact CG1-CB 3.85Å
117G97.6Very high96.7Very high26 Ų2632.1 Ų32.127%0.26817%0.173SC..THydrogen-bonded Turntrans70.324.9-179.400000114.8N6 A113 Y114N6-G117 VanDerWaalsContact CB-O 3.3Å; N6-G117 WeakPolarHBondContact CB-O 3.34Å; N6-G117 PolarHBondContact N-O 3.39Å; A113-G117 PolarHBondContact O-N 3.46Å; Y114-G117 PolarHBondContact O-N 3.26Å
118A98.5Very high95.4Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-86.5128179.100000111.4K9 A113 I116 F156K9-A118 HydrophobicContact CB-CB 4.36Å; K9-A118 HydrophobicContact CD-CB 4.18Å; K9-A118 HydrophobicContact CG-CB 3.83Å; A113-A118 HydrophobicContact CB-CB 4.18Å; A113-A118 PolarHBondContact O-N 3.06Å; I116-A118 HydrophobicContact CD1-CB 4.04Å; I116-A118 HydrophobicContact CG1-CB 3.85Å; A118-F156 WeakPolarHBondContact O-CE1 3.46Å
119K98.5Very high93.8Very high47 Ų4731.6 Ų31.620%0.20417%0.173CC..EExtended strand (participates in β ladder)trans-79.3-33.9173.8-170.4179.9176.9176.30112.6L5 N6 N7 K9 D155 F156 V157L5-K119 HydrophobicContact CB-CB 3.78Å; L5-K119 HydrophobicContact CB-CG 4.23Å; N6-K119 WeakPolarHBondContact O-CB 3.3Å; N6-K119 PolarHBondContact O-N 2.86Å; N7-K119 HydrophobicContact CB-CD 4.01Å; N7-K119 WeakPolarHBondContact OD1-CD 3.3Å; N7-K119 WeakPolarHBondContact OD1-CE 3.2Å; N7-K119 PolarHBondContact OD1-NZ 3.44Å; K9-K119 PolarHBondContact O-N 3.07Å; K119-D155 WeakPolarHBondContact CE-O 3.24Å; K119-D155 WeakPolarHBondContact CG-O 3.4Å; K119-F156 WeakPolarHBondContact O-CA 3.17Å; K119-V157 PolarHBondContact O-N 3.44Å
120H98.8Very high92Very high12 Ų1234.7 Ų34.76%0.05619%0.186CC..EExtended strand (participates in β ladder)trans-103.3131.7-168.7-59.8-65.8000111.3N7 K9 A10 I11 F31 V157 H159N7-H120 PolarHBondContact O-CD2 3.31Å; N7-H120 PolarHBondContact O-NE2 3.02Å; K9-H120 PolarHBondContact O-N 3.22Å; A10-H120 CarbonylContact C-O 3.6Å; A10-H120 VanDerWaalsContact CA-O 3.23Å; A10-H120 WeakPolarHBondContact CA-O 3.4Å; A10-H120 HydrophobicContact CB-CB 3.86Å; I11-H120 PolarHBondContact N-O 3.49Å; F31-H120 HydrophobicContact CD1-CB 4.45Å; F31-H120 AromaticContact CD1-CD2 3.66Å; F31-H120 HydrophobicContact CE1-CB 3.88Å; F31-H120 AromaticContact CE1-CD2 3.18Å; F31-H120 WeakPolarHBondContact CE1-CD2 2.78Å; F31-H120 AromaticContact CE1-CG 3.38Å; F31-H120 AromaticContact CE1-ND1 3.99Å; F31-H120 AromaticContact CE1-NE2 3.7Å; F31-H120 HydrophobicContact CZ-CB 3.98Å; F31-H120 AromaticContact CZ-CG 3.82Å; H120-V157 WeakPolarHBondContact CA-O 3.25Å; H120-H159 AromaticContact CE1-NE2 3.9Å; H120-H159 AromaticContact CG-NE2 3.52Å; H120-H159 AromaticContact ND1-CD2 3.91Å; H120-H159 AromaticContact ND1-CE1 3.93Å; H120-H159 AromaticContact ND1-NE2 2.98Å; H120-H159 PolarHBondContact ND1-NE2 3.34Å
121I98.8Very high90.2Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-117.1123.6174.6-57.5166.7000106.7I11 L106 A109 A113 L148 F156 V157 I158 H159I11-I121 HydrophobicContact CG2-CB 4.2Å; I11-I121 HydrophobicContact CG2-CG1 3.84Å; I11-I121 HydrophobicContact CG2-CG2 4.19Å; I11-I121 CarbonylContact O-C 3.59Å; I11-I121 WeakPolarHBondContact O-CA 3.49Å; L106-I121 HydrophobicContact CD2-CG2 4.35Å; A109-I121 HydrophobicContact CB-CG2 4.2Å; A113-I121 HydrophobicContact CB-CD1 4.22Å; A113-I121 HydrophobicContact CB-CG1 3.99Å; I121-L148 HydrophobicContact CD1-CD1 3.82Å; I121-F156 HydrophobicContact CD1-CD1 4.08Å; I121-F156 HydrophobicContact CD1-CG 4.49Å; I121-V157 PolarHBondContact N-O 3.33Å; I121-I158 HydrophobicContact CB-CG1 4.45Å; I121-I158 CarbonylContact O-C 3.52Å; I121-I158 VanDerWaalsContact O-CA 3.3Å; I121-I158 WeakPolarHBondContact O-CA 3.16Å; I121-H159 PolarHBondContact O-N 3.05Å
122I98.8Very high88.7Confident0 Ų036.7 Ų36.70%020%0.201CC..EExtended strand (participates in β ladder)trans-113.2131.4-177.6-56.2169.5000108.3A10 I11 V12 V13 C23 A27 F31 H159 P161A10-I122 HydrophobicContact CB-CD1 3.76Å; A10-I122 HydrophobicContact CB-CG1 4.34Å; I11-I122 PolarHBondContact O-N 2.91Å; V12-I122 WeakPolarHBondContact CA-O 3.31Å; V12-I122 HydrophobicContact CG1-CB 4.47Å; V12-I122 HydrophobicContact CG2-CB 4.19Å; V12-I122 HydrophobicContact CG2-CD1 4.15Å; V13-I122 PolarHBondContact N-O 3.36Å; C23-I122 HydrophobicContact CB-CG2 3.92Å; A27-I122 HydrophobicContact CB-CD1 3.3Å; F31-I122 HydrophobicContact CD2-CD1 3.9Å; F31-I122 HydrophobicContact CE2-CD1 3.61Å; F31-I122 HydrophobicContact CE2-CG1 4.45Å; I122-H159 WeakPolarHBondContact CA-O 3.29Å; I122-H159 HydrophobicContact CG1-CB 4.09Å; I122-P161 HydrophobicContact CG2-CG 4.22Å
123T98Very high87.6Confident9 Ų937 Ų376%0.05520%0.201CC..  trans-135.6144.9177.5175.90000110.9L106 V125 I158 H159 T160L106-T123 HydrophobicContact CD2-CG2 4.05Å; T123-V125 VanDerWaalsContact C-N 3.29Å; T123-V125 HydrophobicContact CG2-CG2 3.83Å; T123-V125 PolarHBondContact O-N 3.24Å; T123-I158 HydrophobicContact CG2-CG2 4.03Å; T123-H159 PolarHBondContact N-O 3.23Å; T123-T160 HydrophobicContact CG2-CG2 3.72Å
124G95.7Very high87Confident13 Ų1340.1 Ų40.113%0.13422%0.221CC..  trans-86.313.4-179.100000114.9C23C23-G124 VanDerWaalsContact SG-CA 3.53Å
125V92.9Very high86.6Confident17 Ų1736 Ų3610%0.10321%0.206CC..  trans-62.1141.9175-62.80000110.7T123 C136 I141 T160 M163T123-V125 VanDerWaalsContact C-N 3.29Å; T123-V125 HydrophobicContact CG2-CG2 3.83Å; T123-V125 PolarHBondContact O-N 3.24Å; V125-C136 HydrophobicContact CB-CB 4.34Å; V125-I141 HydrophobicContact CG2-CD1 3.82Å; V125-I141 HydrophobicContact CG2-CG1 4.07Å; V125-T160 HydrophobicContact CG2-CG2 3.63Å; V125-M163 HydrophobicContact CG2-CE 4.31Å
126C88Confident86.3Confident16 Ų1629.6 Ų29.611%0.10818%0.177CC..  trans-139.4155.1177.860.80000111.6L162C126-L162 HydrophobicContact CB-CB 4.44Å; C126-L162 VanDerWaalsContact CB-O 3.24Å; C126-L162 WeakPolarHBondContact CB-O 3.34Å
127E84.7Confident86Confident65 Ų6533 Ų3330%0.30419%0.189SC..SBendtrans-104-13.4-178.9-169.8164.7168.800112.6F130 R137 D138 M163 W164E127-F130 WeakPolarHBondContact O-CB 3.34Å; E127-R137 HydrophobicContact CG-CG 4.49Å; E127-R137 WeakPolarHBondContact OE2-CA 3.37Å; E127-D138 PolarHBondContact OE2-N 2.96Å; E127-M163 HydrophobicContact CB-SD 3.72Å; E127-M163 PolarHBondContact N-O 3.15Å; E127-M163 VanDerWaalsContact N-O 3.16Å; E127-W164 HydrophobicContact CB-CZ3 4.37Å
128T71.7Confident85.9Confident65 Ų6533.2 Ų33.240%0.39918%0.183SC..THydrogen-bonded Turntrans-79.3-41.5-17845.70000113.7F130 L165T128-F130 PolarHBondContact O-N 3.43Å; T128-L165 PolarHBondContact OG1-O 3.21Å
129D63Low85.8Confident45 Ų4537 Ų3724%0.24121%0.21CC..THydrogen-bonded Turntrans-94.225.3178.8-66.9-31.9000112.2S131 K167 L207D129-S131 PolarHBondContact O-N 2.97Å; D129-K167 WeakPolarHBondContact OD2-CD 3.37Å; D129-K167 WeakPolarHBondContact OD2-CE 3.44Å; D129-K167 VanDerWaalsContact OD2-CG 3.25Å; D129-K167 WeakPolarHBondContact OD2-CG 3.41Å; D129-K167 PolarHBondContact OD2-N 3.48Å; D129-K167 IonicContact OD2-NZ 3.36Å; D129-K167 PolarHBondContact OD2-NZ 3.43Å; D129-L207 HydrophobicContact CB-CD2 4.37Å
130F60.9Low85.6Confident65 Ų6536.6 Ų36.629%0.28521%0.208SC..  trans-68.4126.9-167.3-171.5-108.7000113.4E127 T128 G132 Y133 C136 R137E127-F130 WeakPolarHBondContact O-CB 3.34Å; T128-F130 PolarHBondContact O-N 3.43Å; F130-G132 VanDerWaalsContact C-N 3.31Å; F130-G132 VanDerWaalsContact CE1-O 3.3Å; F130-G132 WeakPolarHBondContact CE1-O 3.44Å; F130-G132 WeakPolarHBondContact CZ-O 3.4Å; F130-Y133 WeakPolarHBondContact CE2-O 3.36Å; F130-Y133 WeakPolarHBondContact CZ-O 3.44Å; F130-C136 HydrophobicContact CD2-CB 4.1Å; F130-C136 HydrophobicContact CE2-CB 3.97Å; F130-R137 HydrophobicContact CE2-CG 3.92Å; F130-R137 HydrophobicContact CZ-CG 3.96Å
131S60.1Low85.5Confident62 Ų6236.3 Ų36.343%0.43421%0.207SC..SBendtrans-899.216931.10000113.4D129 Y133D129-S131 PolarHBondContact O-N 2.97Å; S131-Y133 WeakPolarHBondContact OG-CD2 3.46Å; S131-Y133 WeakPolarHBondContact OG-CE2 3.43Å
132G66.4Low85.5Confident27 Ų2742.3 Ų42.328%0.27823%0.233SC..SBendtrans116.1-8.8178.300000115.7F130 P134F130-G132 VanDerWaalsContact C-N 3.31Å; F130-G132 VanDerWaalsContact CE1-O 3.3Å; F130-G132 WeakPolarHBondContact CE1-O 3.44Å; F130-G132 WeakPolarHBondContact CZ-O 3.4Å; G132-P134 VanDerWaalsContact O-CD 3.24Å; G132-P134 WeakPolarHBondContact O-CD 3.34Å
133Y76.9Confident85.5Confident31 Ų3145.7 Ų45.712%0.12226%0.257CS..  trans-71.8103.9-167-58.5-49.9000115.7I93 P94 F97 F130 S131 D135 C136I93-Y133 HydrophobicContact CG2-CE1 4.11Å; P94-Y133 WeakPolarHBondContact CD-OH 3.5Å; P94-Y133 VanDerWaalsContact CG-OH 3.3Å; P94-Y133 WeakPolarHBondContact CG-OH 3.47Å; F97-Y133 HydrophobicContact CB-CD1 4.39Å; F97-Y133 HydrophobicContact CB-CE1 3.72Å; F97-Y133 AromaticContact CD2-CD1 3.08Å; F97-Y133 HydrophobicContact CD2-CD1 3.08Å; F97-Y133 AromaticContact CD2-CE1 3.27Å; F97-Y133 HydrophobicContact CD2-CE1 3.27Å; F97-Y133 HydrophobicContact CD2-CG 4.14Å; F97-Y133 AromaticContact CE2-CD1 3.46Å; F97-Y133 HydrophobicContact CE2-CD1 3.46Å; F97-Y133 VanDerWaalsContact CE2-CD1 3.46Å; F97-Y133 HydrophobicContact CE2-CE1 4.12Å; F97-Y133 HydrophobicContact CE2-CG 4.25Å; F97-Y133 AromaticContact CG-CD1 3.92Å; F97-Y133 HydrophobicContact CG-CD1 3.92Å; F97-Y133 AromaticContact CG-CE1 3.75Å; F97-Y133 HydrophobicContact CG-CE1 3.75Å; F130-Y133 WeakPolarHBondContact CE2-O 3.36Å; F130-Y133 WeakPolarHBondContact CZ-O 3.44Å; S131-Y133 WeakPolarHBondContact OG-CD2 3.46Å; S131-Y133 WeakPolarHBondContact OG-CE2 3.43Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.33Å; Y133-D135 PolarHBondContact O-N 3.47Å; Y133-C136 PolarHBondContact O-N 2.85Å
134P85.5Confident85.5Confident65 Ų6545.7 Ų45.742%0.42226%0.257SS..G310 helixtrans-57.4-24.4-172.524.9-35.3000114.4G132 C136 R137G132-P134 VanDerWaalsContact O-CD 3.24Å; G132-P134 WeakPolarHBondContact O-CD 3.34Å; P134-C136 VanDerWaalsContact C-N 3.25Å; P134-C136 PolarHBondContact O-N 3.45Å; P134-R137 PolarHBondContact O-N 3.14Å
135D89.8Confident85.6Confident12 Ų1246.7 Ų46.76%0.06426%0.259CS..G310 helixtrans-82.611.6177.368.8-28.5000114.4N102 Y133 F140N102-D135 HydrophobicContact CB-CB 4.01Å; N102-D135 WeakPolarHBondContact CB-O 3.36Å; N102-D135 VanDerWaalsContact CB-OD2 3.24Å; N102-D135 WeakPolarHBondContact CB-OD2 3.46Å; N102-D135 PolarHBondContact N-OD2 3.49Å; N102-D135 PolarHBondContact ND2-O 2.89Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.33Å; Y133-D135 PolarHBondContact O-N 3.47Å; D135-F140 VanDerWaalsContact C-CD1 3.41Å; D135-F140 HydrophobicContact CB-CD1 4.14Å; D135-F140 HydrophobicContact CB-CE1 3.96Å; D135-F140 HydrophobicContact CB-CZ 4.21Å; D135-F140 WeakPolarHBondContact O-CD1 3.44Å; D135-F140 WeakPolarHBondContact O-CE1 3.43Å
136C90.2Very high85.9Confident15 Ų1550 Ų5010%0.10128%0.279CS..G310 helixtrans-107.3-8.2168.1-69.30000113.4N102 V125 F130 Y133 P134N102-C136 PolarHBondContact ND2-SG 2.94Å; V125-C136 HydrophobicContact CB-CB 4.34Å; F130-C136 HydrophobicContact CD2-CB 4.1Å; F130-C136 HydrophobicContact CE2-CB 3.97Å; Y133-C136 PolarHBondContact O-N 2.85Å; P134-C136 VanDerWaalsContact C-N 3.25Å; P134-C136 PolarHBondContact O-N 3.45Å
137R91.6Very high86.4Confident102 Ų10252.8 Ų52.839%0.38530%0.296SS..SBendtrans-73.2149.4-174.1-62.6179.3-177.3169.63.2112.3E127 F130 P134 S139 F140 I141E127-R137 HydrophobicContact CG-CG 4.49Å; E127-R137 WeakPolarHBondContact OE2-CA 3.37Å; F130-R137 HydrophobicContact CE2-CG 3.92Å; F130-R137 HydrophobicContact CZ-CG 3.96Å; P134-R137 PolarHBondContact O-N 3.14Å; R137-S139 VanDerWaalsContact C-N 3.26Å; R137-S139 PolarHBondContact O-N 2.9Å; R137-F140 WeakPolarHBondContact O-CB 3.49Å; R137-F140 PolarHBondContact O-N 3.06Å; R137-F140 VanDerWaalsContact O-N 3.08Å; R137-I141 WeakPolarHBondContact O-CG1 2.92Å; R137-I141 PolarHBondContact O-N 3.22Å
138D95.1Very high87Confident29 Ų2950 Ų5016%0.15528%0.283CS..Hα-helixtrans-56.1-41175.7170.676.3000112.4E127 F140 I141 K142 M163 W164E127-D138 PolarHBondContact OE2-N 2.96Å; D138-F140 VanDerWaalsContact C-N 3.33Å; D138-F140 PolarHBondContact O-N 3.21Å; D138-I141 PolarHBondContact O-N 3.45Å; D138-K142 WeakPolarHBondContact O-CG 3.48Å; D138-K142 PolarHBondContact O-N 3.4Å; D138-K142 WeakPolarHBondContact OD1-CE 3.15Å; D138-K142 IonicContact OD1-NZ 3.27Å; D138-K142 PolarHBondContact OD1-NZ 3.4Å; D138-K142 WeakPolarHBondContact OD2-CD 3.48Å; D138-K142 WeakPolarHBondContact OD2-CE 3.24Å; D138-K142 IonicContact OD2-NZ 2.77Å; D138-K142 PolarHBondContact OD2-NZ 3.22Å; D138-M163 HydrophobicContact CB-CE 4.15Å; D138-M163 HydrophobicContact CB-CG 4.13Å; D138-M163 HydrophobicContact CB-SD 3.98Å; D138-W164 HydrophobicContact CB-CH2 3.67Å; D138-W164 HydrophobicContact CB-CZ2 3.62Å
139S95.5Very high88.2Confident80 Ų8048 Ų4856%0.55927%0.271SS*.Hα-helixtrans-58.5-42.1176.654.10000113.1R137 S143R137-S139 VanDerWaalsContact C-N 3.26Å; R137-S139 PolarHBondContact O-N 2.9Å; S139-S143 PolarHBondContact O-N 2.89Å
140F95.6Very high89.9Confident38 Ų3852.3 Ų52.317%0.16729%0.293CS..Hα-helixtrans-66.2-46.9175.1161.9-103.7000111N102 L103 L106 D135 R137 D138 K142 S143 M144N102-F140 HydrophobicContact CB-CE1 4.3Å; L103-F140 HydrophobicContact CB-CE2 4.08Å; L103-F140 HydrophobicContact CB-CZ 3.87Å; L103-F140 HydrophobicContact CD1-CE2 4.43Å; L103-F140 HydrophobicContact CG-CE2 4.49Å; L106-F140 HydrophobicContact CD1-CE1 3.92Å; L106-F140 HydrophobicContact CD1-CZ 4.3Å; D135-F140 VanDerWaalsContact C-CD1 3.41Å; D135-F140 HydrophobicContact CB-CD1 4.14Å; D135-F140 HydrophobicContact CB-CE1 3.96Å; D135-F140 HydrophobicContact CB-CZ 4.21Å; D135-F140 WeakPolarHBondContact O-CD1 3.44Å; D135-F140 WeakPolarHBondContact O-CE1 3.43Å; R137-F140 WeakPolarHBondContact O-CB 3.49Å; R137-F140 PolarHBondContact O-N 3.06Å; R137-F140 VanDerWaalsContact O-N 3.08Å; D138-F140 VanDerWaalsContact C-N 3.33Å; D138-F140 PolarHBondContact O-N 3.21Å; F140-K142 VanDerWaalsContact C-N 3.32Å; F140-K142 PolarHBondContact O-N 3.44Å; F140-S143 WeakPolarHBondContact O-CB 3.3Å; F140-S143 PolarHBondContact O-N 3.21Å; F140-S143 VanDerWaalsContact O-N 3.16Å; F140-M144 HydrophobicContact CE2-CB 4.31Å; F140-M144 HydrophobicContact CZ-CB 4.22Å; F140-M144 HydrophobicContact CZ-CG 4.32Å; F140-M144 WeakPolarHBondContact O-CB 3.31Å; F140-M144 PolarHBondContact O-N 3.5Å
141I96.9Very high91.7Very high6 Ų653 Ų533%0.03131%0.311CS..Hα-helixtrans-60.8-41.9-178.8-62.6-62.2000111.7L106 V125 R137 D138 M144 N145 I158 T160 M163L106-I141 HydrophobicContact CD1-CD1 3.5Å; V125-I141 HydrophobicContact CG2-CD1 3.82Å; V125-I141 HydrophobicContact CG2-CG1 4.07Å; R137-I141 WeakPolarHBondContact O-CG1 2.92Å; R137-I141 PolarHBondContact O-N 3.22Å; D138-I141 PolarHBondContact O-N 3.45Å; I141-M144 PolarHBondContact O-N 3.41Å; I141-N145 PolarHBondContact O-N 3.16Å; I141-I158 HydrophobicContact CG2-CB 4.14Å; I141-I158 HydrophobicContact CG2-CG2 3.7Å; I141-T160 HydrophobicContact CG1-CG2 4.15Å; I141-T160 HydrophobicContact CG2-CG2 3.87Å; I141-M163 HydrophobicContact CG1-CE 4.02Å
142K98Very high93.4Very high126 Ų12652 Ų5255%0.54830%0.3SS..Hα-helixtrans-61.6-44.9174.9-74.2171.8175.1164.70112.1D138 F140 M144 N145 V146D138-K142 WeakPolarHBondContact O-CG 3.48Å; D138-K142 PolarHBondContact O-N 3.4Å; D138-K142 WeakPolarHBondContact OD1-CE 3.15Å; D138-K142 IonicContact OD1-NZ 3.27Å; D138-K142 PolarHBondContact OD1-NZ 3.4Å; D138-K142 WeakPolarHBondContact OD2-CD 3.48Å; D138-K142 WeakPolarHBondContact OD2-CE 3.24Å; D138-K142 IonicContact OD2-NZ 2.77Å; D138-K142 PolarHBondContact OD2-NZ 3.22Å; F140-K142 VanDerWaalsContact C-N 3.32Å; F140-K142 PolarHBondContact O-N 3.44Å; K142-M144 VanDerWaalsContact C-N 3.33Å; K142-N145 PolarHBondContact O-N 3.01Å; K142-V146 PolarHBondContact O-N 3.05Å
143S98.3Very high94.8Very high72 Ų7256.6 Ų56.650%0.50332%0.318SS..Hα-helixtrans-63-40.6175.3179.60000111.9S139 F140 V146 T147S139-S143 PolarHBondContact O-N 2.89Å; F140-S143 WeakPolarHBondContact O-CB 3.3Å; F140-S143 PolarHBondContact O-N 3.21Å; F140-S143 VanDerWaalsContact O-N 3.16Å; S143-V146 PolarHBondContact O-N 3.04Å; S143-T147 PolarHBondContact O-N 2.78Å; S143-T147 PolarHBondContact O-OG1 2.94Å
144M98.1Very high95.7Very high9 Ų956.3 Ų56.34%0.04432%0.317CS..Hα-helixtrans-65.7-39.8178.2-170.459.4-168.200111.8L103 L106 S107 F140 I141 K142 V146 T147 L148 I158L103-M144 HydrophobicContact CG-SD 4.5Å; L106-M144 HydrophobicContact CB-CE 3.98Å; L106-M144 HydrophobicContact CB-CG 3.95Å; L106-M144 HydrophobicContact CD1-CB 4.48Å; L106-M144 HydrophobicContact CD1-CG 3.95Å; S107-M144 WeakPolarHBondContact OG-CE 3.4Å; F140-M144 HydrophobicContact CE2-CB 4.31Å; F140-M144 HydrophobicContact CZ-CB 4.22Å; F140-M144 HydrophobicContact CZ-CG 4.32Å; F140-M144 WeakPolarHBondContact O-CB 3.31Å; F140-M144 PolarHBondContact O-N 3.5Å; I141-M144 PolarHBondContact O-N 3.41Å; K142-M144 VanDerWaalsContact C-N 3.33Å; M144-V146 PolarHBondContact O-N 3.05Å; M144-T147 WeakPolarHBondContact O-CB 3.25Å; M144-T147 PolarHBondContact O-N 3.03Å; M144-L148 HydrophobicContact CE-CD1 4.33Å; M144-L148 HydrophobicContact CE-CD2 3.6Å; M144-L148 HydrophobicContact CE-CG 3.81Å; M144-L148 WeakPolarHBondContact O-CG 3.5Å; M144-L148 PolarHBondContact O-N 2.92Å; M144-I158 HydrophobicContact CB-CD1 4.33Å; M144-I158 HydrophobicContact CG-CD1 4.24Å
145N98.6Very high96.3Very high33 Ų3359.3 Ų59.318%0.17633%0.33CS..Hα-helixtrans-58.5-48.6175-167.8149.9000111I141 K142 T147 L148 S149 F156 V157 I158I141-N145 PolarHBondContact O-N 3.16Å; K142-N145 PolarHBondContact O-N 3.01Å; N145-T147 VanDerWaalsContact C-N 3.28Å; N145-T147 PolarHBondContact O-N 3.18Å; N145-L148 PolarHBondContact O-N 2.98Å; N145-S149 PolarHBondContact ND2-OG 3.11Å; N145-S149 PolarHBondContact O-N 2.84Å; N145-S149 PolarHBondContact O-OG 3.38Å; N145-S149 VanDerWaalsContact O-OG 3.12Å; N145-F156 PolarHBondContact ND2-O 3.08Å; N145-V157 WeakPolarHBondContact OD1-CA 3.19Å; N145-I158 HydrophobicContact CB-CB 4.37Å; N145-I158 HydrophobicContact CB-CD1 3.87Å; N145-I158 HydrophobicContact CB-CG1 3.93Å; N145-I158 PolarHBondContact OD1-N 3.13Å
146V98.5Very high96.7Very high88 Ų8859 Ų5953%0.53333%0.328SS..Hα-helixtrans-60.2-44177.8174.50000110.3K142 S143 M144 S149 L150K142-V146 PolarHBondContact O-N 3.05Å; S143-V146 PolarHBondContact O-N 3.04Å; M144-V146 PolarHBondContact O-N 3.05Å; V146-S149 PolarHBondContact O-N 2.86Å; V146-L150 HydrophobicContact CG1-CD1 3.77Å; V146-L150 HydrophobicContact CG1-CG 4.3Å; V146-L150 WeakPolarHBondContact O-CG 3.34Å; V146-L150 PolarHBondContact O-N 3.4Å
147T98.6Very high97.1Very high74 Ų7460.5 Ų60.545%0.45434%0.337SS..Hα-helixtrans-60.1-48.3179.6-58.40000111.9S143 M144 N145 S149 L150 A151S143-T147 PolarHBondContact O-N 2.78Å; S143-T147 PolarHBondContact O-OG1 2.94Å; M144-T147 WeakPolarHBondContact O-CB 3.25Å; M144-T147 PolarHBondContact O-N 3.03Å; N145-T147 VanDerWaalsContact C-N 3.28Å; N145-T147 PolarHBondContact O-N 3.18Å; T147-S149 VanDerWaalsContact C-N 3.35Å; T147-S149 PolarHBondContact O-N 3.08Å; T147-L150 PolarHBondContact O-N 3.21Å; T147-A151 WeakPolarHBondContact O-CB 3.18Å; T147-A151 PolarHBondContact O-N 3.06Å
148L97.9Very high97.4Very high7 Ų756.4 Ų56.44%0.03732%0.322CS..Hα-helixtrans-60.2-45.2177.4-72.3-179.5000111.7I121 M144 N145 A151 M152 F156 I158I121-L148 HydrophobicContact CD1-CD1 3.82Å; M144-L148 HydrophobicContact CE-CD1 4.33Å; M144-L148 HydrophobicContact CE-CD2 3.6Å; M144-L148 HydrophobicContact CE-CG 3.81Å; M144-L148 WeakPolarHBondContact O-CG 3.5Å; M144-L148 PolarHBondContact O-N 2.92Å; N145-L148 PolarHBondContact O-N 2.98Å; L148-A151 PolarHBondContact O-N 3.4Å; L148-M152 HydrophobicContact CB-CE 4.03Å; L148-M152 HydrophobicContact CD2-CE 3.77Å; L148-M152 HydrophobicContact CG-CE 4.47Å; L148-M152 WeakPolarHBondContact O-CE 3.33Å; L148-M152 PolarHBondContact O-N 3.49Å; L148-F156 HydrophobicContact CB-CD2 4.26Å; L148-I158 HydrophobicContact CD1-CD1 3.88Å; L148-I158 HydrophobicContact CD1-CG1 4.42Å
149S97.7Very high97.6Very high21 Ų2157.3 Ų57.315%0.14733%0.325CS..Hα-helixtrans-63.6-43.4-177.9-62.80000112.1N145 V146 T147 D153 K154 F156N145-S149 PolarHBondContact ND2-OG 3.11Å; N145-S149 PolarHBondContact O-N 2.84Å; N145-S149 PolarHBondContact O-OG 3.38Å; N145-S149 VanDerWaalsContact O-OG 3.12Å; V146-S149 PolarHBondContact O-N 2.86Å; T147-S149 VanDerWaalsContact C-N 3.35Å; T147-S149 PolarHBondContact O-N 3.08Å; S149-D153 WeakPolarHBondContact O-CA 3.21Å; S149-D153 PolarHBondContact O-N 3.47Å; S149-K154 WeakPolarHBondContact CA-O 3.35Å; S149-K154 WeakPolarHBondContact CB-O 3.38Å; S149-K154 PolarHBondContact O-N 2.89Å; S149-K154 VanDerWaalsContact O-N 3.13Å; S149-K154 PolarHBondContact OG-O 3.25Å; S149-F156 PolarHBondContact OG-N 3.45Å
150L97.9Very high97.7Very high137 Ų13754.8 Ų54.872%0.71731%0.307SS*.Hα-helixtrans-68.5-39.6176.2-68.1174.9000112.6V146 T147 M152V146-L150 HydrophobicContact CG1-CD1 3.77Å; V146-L150 HydrophobicContact CG1-CG 4.3Å; V146-L150 WeakPolarHBondContact O-CG 3.34Å; V146-L150 PolarHBondContact O-N 3.4Å; T147-L150 PolarHBondContact O-N 3.21Å; L150-M152 VanDerWaalsContact C-N 3.26Å; L150-M152 PolarHBondContact O-N 2.72Å
151A97.9Very high97.8Very high79 Ų7954.3 Ų54.365%0.65331%0.308SS*.Hα-helixtrans-66.9-26.2-175.900000113.6T147 L148T147-A151 WeakPolarHBondContact O-CB 3.18Å; T147-A151 PolarHBondContact O-N 3.06Å; L148-A151 PolarHBondContact O-N 3.4Å
152M96.4Very high97.8Very high42 Ų4254.1 Ų54.121%0.20731%0.306CS..Hα-helixtrans-120.34.4-175.2-70.6176.3-80.200113.6Y114 L148 L150 K154 F156Y114-M152 HydrophobicContact CD2-CB 3.97Å; Y114-M152 HydrophobicContact CD2-CG 4.37Å; Y114-M152 HydrophobicContact CD2-SD 4.17Å; Y114-M152 HydrophobicContact CE2-CB 4.3Å; Y114-M152 HydrophobicContact CG-SD 4.25Å; L148-M152 HydrophobicContact CB-CE 4.03Å; L148-M152 HydrophobicContact CD2-CE 3.77Å; L148-M152 HydrophobicContact CG-CE 4.47Å; L148-M152 WeakPolarHBondContact O-CE 3.33Å; L148-M152 PolarHBondContact O-N 3.49Å; L150-M152 VanDerWaalsContact C-N 3.26Å; L150-M152 PolarHBondContact O-N 2.72Å; M152-K154 VanDerWaalsContact C-N 3.34Å; M152-K154 WeakPolarHBondContact O-CG 3.23Å; M152-K154 PolarHBondContact O-N 3.45Å; M152-F156 HydrophobicContact CB-CE2 4Å; M152-F156 HydrophobicContact CE-CD2 4.1Å; M152-F156 HydrophobicContact CE-CE2 3.44Å; M152-F156 VanDerWaalsContact CE-CE2 3.44Å; M152-F156 HydrophobicContact CE-CZ 3.97Å; M152-F156 HydrophobicContact SD-CE2 3.97Å; M152-F156 HydrophobicContact SD-CZ 4.15Å
153D96.3Very high97.7Very high122 Ų12248.1 Ų48.165%0.65228%0.281SS*.THydrogen-bonded Turntrans50.250.9-177.4-160.827.8000112.8S149S149-D153 WeakPolarHBondContact O-CA 3.21Å; S149-D153 PolarHBondContact O-N 3.47Å
154K96.4Very high97.6Very high25 Ų2552.2 Ų52.211%0.10929%0.285CS..SBendtrans-144.9147.6179.2-61.9-63.7163.2-169.40112S3 L5 Y114 S149 M152 F156S3-K154 PolarHBondContact O-NZ 3.4Å; L5-K154 HydrophobicContact CD1-CB 3.62Å; L5-K154 HydrophobicContact CD1-CG 4.15Å; L5-K154 HydrophobicContact CD2-CG 4.44Å; L5-K154 HydrophobicContact CG-CB 4.1Å; L5-K154 HydrophobicContact CG-CD 4.18Å; L5-K154 HydrophobicContact CG-CG 4.18Å; Y114-K154 HydrophobicContact CD2-CG 3.92Å; Y114-K154 HydrophobicContact CE2-CD 4.46Å; Y114-K154 HydrophobicContact CE2-CG 3.81Å; S149-K154 WeakPolarHBondContact CA-O 3.35Å; S149-K154 WeakPolarHBondContact CB-O 3.38Å; S149-K154 PolarHBondContact O-N 2.89Å; S149-K154 VanDerWaalsContact O-N 3.13Å; S149-K154 PolarHBondContact OG-O 3.25Å; M152-K154 VanDerWaalsContact C-N 3.34Å; M152-K154 WeakPolarHBondContact O-CG 3.23Å; M152-K154 PolarHBondContact O-N 3.45Å; K154-F156 HydrophobicContact CB-CD2 4.15Å; K154-F156 HydrophobicContact CB-CE2 3.76Å; K154-F156 HydrophobicContact CB-CZ 4.25Å; K154-F156 HydrophobicContact CG-CE2 4.44Å; K154-F156 PolarHBondContact O-N 3.16Å
155D96.3Very high97.4Very high128 Ų12853.7 Ų53.768%0.68429%0.293SS*.  trans-82.473.7177.9-64.7-32.3000112.8K119K119-D155 WeakPolarHBondContact CE-O 3.24Å; K119-D155 WeakPolarHBondContact CG-O 3.4Å
156F98.3Very high97.3Very high6 Ų655 Ų553%0.02630%0.3CS..  trans-68.4155.1171.2-68.8-74.9000112.2L5 A113 Y114 A118 K119 I121 N145 L148 S149 M152 K154L5-F156 HydrophobicContact CD1-CD1 3.58Å; L5-F156 HydrophobicContact CD1-CD2 4.4Å; L5-F156 HydrophobicContact CD1-CE1 3.33Å; L5-F156 HydrophobicContact CD1-CE2 4.19Å; L5-F156 HydrophobicContact CD1-CG 4.12Å; L5-F156 HydrophobicContact CD1-CZ 3.67Å; L5-F156 HydrophobicContact CD2-CE1 4.45Å; A113-F156 HydrophobicContact CB-CD1 4.36Å; A113-F156 HydrophobicContact CB-CE1 3.76Å; Y114-F156 HydrophobicContact CD2-CZ 4.29Å; A118-F156 WeakPolarHBondContact O-CE1 3.46Å; K119-F156 WeakPolarHBondContact O-CA 3.17Å; I121-F156 HydrophobicContact CD1-CD1 4.08Å; I121-F156 HydrophobicContact CD1-CG 4.49Å; N145-F156 PolarHBondContact ND2-O 3.08Å; L148-F156 HydrophobicContact CB-CD2 4.26Å; S149-F156 PolarHBondContact OG-N 3.45Å; M152-F156 HydrophobicContact CB-CE2 4Å; M152-F156 HydrophobicContact CE-CD2 4.1Å; M152-F156 HydrophobicContact CE-CE2 3.44Å; M152-F156 VanDerWaalsContact CE-CE2 3.44Å; M152-F156 HydrophobicContact CE-CZ 3.97Å; M152-F156 HydrophobicContact SD-CE2 3.97Å; M152-F156 HydrophobicContact SD-CZ 4.15Å; K154-F156 HydrophobicContact CB-CD2 4.15Å; K154-F156 HydrophobicContact CB-CE2 3.76Å; K154-F156 HydrophobicContact CB-CZ 4.25Å; K154-F156 HydrophobicContact CG-CE2 4.44Å; K154-F156 PolarHBondContact O-N 3.16Å
157V98.6Very high97.1Very high47 Ų4751.7 Ų51.729%0.28528%0.278SS..EExtended strand (participates in β ladder)trans-132.2118.9170.3-178.30000109.2K119 H120 I121 N145K119-V157 PolarHBondContact O-N 3.44Å; H120-V157 WeakPolarHBondContact CA-O 3.25Å; I121-V157 PolarHBondContact N-O 3.33Å; N145-V157 WeakPolarHBondContact OD1-CA 3.19Å
158I98.6Very high97Very high16 Ų1648.9 Ų48.98%0.08226%0.262CS..EExtended strand (participates in β ladder)trans-92126.2173.5-52.1179.7000109.3L106 I121 T123 I141 M144 N145 L148L106-I158 HydrophobicContact CD2-CG2 4.49Å; I121-I158 HydrophobicContact CB-CG1 4.45Å; I121-I158 CarbonylContact O-C 3.52Å; I121-I158 VanDerWaalsContact O-CA 3.3Å; I121-I158 WeakPolarHBondContact O-CA 3.16Å; T123-I158 HydrophobicContact CG2-CG2 4.03Å; I141-I158 HydrophobicContact CG2-CB 4.14Å; I141-I158 HydrophobicContact CG2-CG2 3.7Å; M144-I158 HydrophobicContact CB-CD1 4.33Å; M144-I158 HydrophobicContact CG-CD1 4.24Å; N145-I158 HydrophobicContact CB-CB 4.37Å; N145-I158 HydrophobicContact CB-CD1 3.87Å; N145-I158 HydrophobicContact CB-CG1 3.93Å; N145-I158 PolarHBondContact OD1-N 3.13Å; L148-I158 HydrophobicContact CD1-CD1 3.88Å; L148-I158 HydrophobicContact CD1-CG1 4.42Å
159H98.5Very high97Very high47 Ų4752.3 Ų52.322%0.21828%0.278CS..EExtended strand (participates in β ladder)trans-109.4133.4176.8-58.2-91.3000110.8F31 H120 I121 I122 T123F31-H159 AromaticContact CZ-NE2 3.61Å; H120-H159 AromaticContact CE1-NE2 3.9Å; H120-H159 AromaticContact CG-NE2 3.52Å; H120-H159 AromaticContact ND1-CD2 3.91Å; H120-H159 AromaticContact ND1-CE1 3.93Å; H120-H159 AromaticContact ND1-NE2 2.98Å; H120-H159 PolarHBondContact ND1-NE2 3.34Å; I121-H159 PolarHBondContact O-N 3.05Å; I122-H159 WeakPolarHBondContact CA-O 3.29Å; I122-H159 HydrophobicContact CG1-CB 4.09Å; T123-H159 PolarHBondContact N-O 3.23Å
160T97.7Very high97Very high27 Ų2751.4 Ų51.417%0.16627%0.272CS..  trans-125.972.8175.748.20000109.4T123 V125 I141 L162 M163T123-T160 HydrophobicContact CG2-CG2 3.72Å; V125-T160 HydrophobicContact CG2-CG2 3.63Å; I141-T160 HydrophobicContact CG1-CG2 4.15Å; I141-T160 HydrophobicContact CG2-CG2 3.87Å; T160-L162 PolarHBondContact O-N 3.1Å; T160-M163 HydrophobicContact CG2-CE 3.72Å; T160-M163 VanDerWaalsContact O-CB 3.31Å; T160-M163 WeakPolarHBondContact O-CB 3.25Å; T160-M163 PolarHBondContact O-N 2.93Å
161P97.8Very high97Very high29 Ų2944.9 Ų44.919%0.18824%0.238CC..THydrogen-bonded Turntrans-62.5-18.5-172.426.1-35000113.3Y26 I122Y26-P161 HydrophobicContact CD1-CB 3.98Å; Y26-P161 HydrophobicContact CD1-CG 4Å; Y26-P161 HydrophobicContact CD2-CB 4.01Å; Y26-P161 HydrophobicContact CE1-CB 3.96Å; Y26-P161 HydrophobicContact CE1-CG 4.31Å; Y26-P161 HydrophobicContact CE2-CB 3.98Å; Y26-P161 HydrophobicContact CG-CB 4.01Å; Y26-P161 HydrophobicContact CG-CG 4.2Å; I122-P161 HydrophobicContact CG2-CG 4.22Å
162L97Very high97Very high1 Ų146 Ų461%0.00523%0.228CC..THydrogen-bonded Turntrans-97.80.4179.4-49.5-176.1000113.5D19 T22 C126 T160 W164 L165 T170 L173D19-L162 HydrophobicContact CB-CD1 3.61Å; T22-L162 HydrophobicContact CG2-CD2 4.14Å; C126-L162 HydrophobicContact CB-CB 4.44Å; C126-L162 VanDerWaalsContact CB-O 3.24Å; C126-L162 WeakPolarHBondContact CB-O 3.34Å; T160-L162 PolarHBondContact O-N 3.1Å; L162-W164 PolarHBondContact O-N 3.29Å; L162-L165 HydrophobicContact CD2-CD1 4.01Å; L162-L165 PolarHBondContact O-N 3.4Å; L162-T170 HydrophobicContact CD1-CG2 4.31Å; L162-T170 HydrophobicContact CD2-CG2 4.24Å; L162-L173 HydrophobicContact CD2-CD2 3.73Å
163M95.9Very high97.1Very high1 Ų145.2 Ų45.21%0.00522%0.224CC..THydrogen-bonded Turntrans-49.5-42.7-169.6-177.957.87000113.4V125 E127 D138 I141 T160V125-M163 HydrophobicContact CG2-CE 4.31Å; E127-M163 HydrophobicContact CB-SD 3.72Å; E127-M163 PolarHBondContact N-O 3.15Å; E127-M163 VanDerWaalsContact N-O 3.16Å; D138-M163 HydrophobicContact CB-CE 4.15Å; D138-M163 HydrophobicContact CB-CG 4.13Å; D138-M163 HydrophobicContact CB-SD 3.98Å; I141-M163 HydrophobicContact CG1-CE 4.02Å; T160-M163 HydrophobicContact CG2-CE 3.72Å; T160-M163 VanDerWaalsContact O-CB 3.31Å; T160-M163 WeakPolarHBondContact O-CB 3.25Å; T160-M163 PolarHBondContact O-N 2.93Å
164W95.7Very high97.2Very high157 Ų15739.4 Ų39.460%0.59519%0.193SC*.THydrogen-bonded Turntrans-110.712.2-173.9-49.8118.2000113.4E127 D138 L162E127-W164 HydrophobicContact CB-CZ3 4.37Å; D138-W164 HydrophobicContact CB-CH2 3.67Å; D138-W164 HydrophobicContact CB-CZ2 3.62Å; L162-W164 PolarHBondContact O-N 3.29Å
165L95.8Very high97.2Very high41 Ų4140.6 Ų40.622%0.21520%0.201CC..  trans-101.8133.1-179.2-56.1-172000109.7T128 L162 E169 L173T128-L165 PolarHBondContact OG1-O 3.21Å; L162-L165 HydrophobicContact CD2-CD1 4.01Å; L162-L165 PolarHBondContact O-N 3.4Å; L165-E169 WeakPolarHBondContact CA-OE2 3.29Å; L165-E169 HydrophobicContact CB-CB 3.87Å; L165-E169 HydrophobicContact CD2-CB 4.07Å; L165-E169 HydrophobicContact CG-CB 4.4Å; L165-L173 HydrophobicContact CD1-CB 4.39Å; L165-L173 HydrophobicContact CD1-CD2 3.9Å
166N94.5Very high97.3Very high60 Ų6039.7 Ų39.732%0.32119%0.193SC..  trans-77.1177.6164.86650.1000111.1A168 E169 T170N166-A168 VanDerWaalsContact C-N 3.35Å; N166-A168 PolarHBondContact O-N 2.94Å; N166-A168 WeakPolarHBondContact OD1-CA 3.21Å; N166-A168 WeakPolarHBondContact OD1-CB 3.17Å; N166-A168 PolarHBondContact OD1-N 3.32Å; N166-E169 VanDerWaalsContact CG-OE2 3.28Å; N166-E169 PolarHBondContact N-OE2 3.13Å; N166-E169 PolarHBondContact ND2-OE2 3.27Å; N166-E169 PolarHBondContact O-N 2.69Å; N166-E169 PolarHBondContact OD1-N 3.04Å; N166-T170 PolarHBondContact O-N 2.77Å; N166-T170 PolarHBondContact O-OG1 3.37Å
167K95.3Very high97.3Very high19 Ų1940.5 Ų40.58%0.08320%0.197CC..Hα-helixtrans-60-36.2177.2-73.8-40.5-178.8-149.80115.2D19 D129 T170 W171 L207D19-K167 IonicContact OD1-NZ 2.64Å; D19-K167 PolarHBondContact OD1-NZ 2.84Å; D19-K167 IonicContact OD2-NZ 2.7Å; D19-K167 PolarHBondContact OD2-NZ 2.65Å; D129-K167 WeakPolarHBondContact OD2-CD 3.37Å; D129-K167 WeakPolarHBondContact OD2-CE 3.44Å; D129-K167 VanDerWaalsContact OD2-CG 3.25Å; D129-K167 WeakPolarHBondContact OD2-CG 3.41Å; D129-K167 PolarHBondContact OD2-N 3.48Å; D129-K167 IonicContact OD2-NZ 3.36Å; D129-K167 PolarHBondContact OD2-NZ 3.43Å; K167-T170 PolarHBondContact O-N 2.88Å; K167-W171 PolarHBondContact O-N 3.41Å; K167-L207 HydrophobicContact CG-CD1 3.97Å; K167-L207 HydrophobicContact CG-CD2 4.36Å; K167-L207 HydrophobicContact CG-CG 3.76Å
168A96.6Very high97.3Very high14 Ų1447 Ų4712%0.11622%0.224CC..Hα-helixtrans-66.7-40.3176.800000111.2N166 W171 K172 G211 Q214N166-A168 VanDerWaalsContact C-N 3.35Å; N166-A168 PolarHBondContact O-N 2.94Å; N166-A168 WeakPolarHBondContact OD1-CA 3.21Å; N166-A168 WeakPolarHBondContact OD1-CB 3.17Å; N166-A168 PolarHBondContact OD1-N 3.32Å; A168-W171 WeakPolarHBondContact O-CB 3.16Å; A168-W171 PolarHBondContact O-N 3.45Å; A168-K172 PolarHBondContact O-N 3.47Å; A168-G211 WeakPolarHBondContact CA-O 3.48Å; A168-G211 WeakPolarHBondContact CB-O 3.45Å; A168-Q214 HydrophobicContact CB-CB 3.86Å
169E97.2Very high97.3Very high80 Ų8047.1 Ų47.137%0.37423%0.226SC..Hα-helixtrans-69.8-31.9175.6-67.5170.1139.500112.5L165 N166 K172 L173L165-E169 WeakPolarHBondContact CA-OE2 3.29Å; L165-E169 HydrophobicContact CB-CB 3.87Å; L165-E169 HydrophobicContact CD2-CB 4.07Å; L165-E169 HydrophobicContact CG-CB 4.4Å; N166-E169 VanDerWaalsContact CG-OE2 3.28Å; N166-E169 PolarHBondContact N-OE2 3.13Å; N166-E169 PolarHBondContact ND2-OE2 3.27Å; N166-E169 PolarHBondContact O-N 2.69Å; N166-E169 PolarHBondContact OD1-N 3.04Å; E169-K172 WeakPolarHBondContact O-CB 3.42Å; E169-K172 PolarHBondContact O-N 3.15Å; E169-L173 WeakPolarHBondContact O-CB 3.23Å; E169-L173 PolarHBondContact O-N 3.28Å
170T97.7Very high97.2Very high2 Ų245.6 Ų45.61%0.01222%0.219CC..Hα-helixtrans-66.2-38.5171.9-57.80000111.4Q18 T22 L162 N166 K167 S174Q18-T170 HydrophobicContact CG-CG2 4.47Å; T22-T170 HydrophobicContact CG2-CG2 4.38Å; L162-T170 HydrophobicContact CD1-CG2 4.31Å; L162-T170 HydrophobicContact CD2-CG2 4.24Å; N166-T170 PolarHBondContact O-N 2.77Å; N166-T170 PolarHBondContact O-OG1 3.37Å; K167-T170 PolarHBondContact O-N 2.88Å; T170-S174 PolarHBondContact O-N 3.34Å; T170-S174 PolarHBondContact O-OG 2.96Å
171W98.1Very high97.2Very high0 Ų049.9 Ų49.90%024%0.241CC..Hα-helixtrans-66.7-42.4170.9-78.4118.9000112.3Q18 K167 A168 L173 S174 D175 L180 I183 R184 R208 G211 L212 Y215Q18-W171 VanDerWaalsContact NE2-CE2 3.29Å; K167-W171 PolarHBondContact O-N 3.41Å; A168-W171 WeakPolarHBondContact O-CB 3.16Å; A168-W171 PolarHBondContact O-N 3.45Å; W171-L173 VanDerWaalsContact C-N 3.35Å; W171-L173 PolarHBondContact O-N 3.19Å; W171-S174 WeakPolarHBondContact O-CA 3.39Å; W171-S174 WeakPolarHBondContact O-CB 3.31Å; W171-S174 PolarHBondContact O-N 3.41Å; W171-S174 VanDerWaalsContact O-N 3.1Å; W171-D175 PolarHBondContact O-N 2.71Å; W171-L180 HydrophobicContact CE3-CD1 4.38Å; W171-L180 HydrophobicContact CE3-CG 4.03Å; W171-L180 HydrophobicContact CZ3-CG 4.25Å; W171-I183 HydrophobicContact CH2-CG2 4.3Å; W171-I183 HydrophobicContact CZ3-CB 4.44Å; W171-I183 HydrophobicContact CZ3-CG2 3.94Å; W171-R184 HydrophobicContact CH2-CB 3.76Å; W171-R184 HydrophobicContact CH2-CG 4.13Å; W171-R184 HydrophobicContact CZ3-CB 3.93Å; W171-R208 HydrophobicContact CZ2-CG 3.89Å; W171-R208 PolarHBondContact NE1-O 2.91Å; W171-R208 VanDerWaalsContact NE1-O 3.15Å; W171-G211 VanDerWaalsContact CD1-C 3.45Å; W171-L212 VanDerWaalsContact CD1-CA 3.46Å; W171-L212 VanDerWaalsContact CD1-N 3.26Å; W171-L212 HydrophobicContact CD2-CB 4.48Å; W171-L212 HydrophobicContact CD2-CD1 3.91Å; W171-L212 HydrophobicContact CE3-CD1 4.23Å; W171-L212 HydrophobicContact CG-CB 4.49Å; W171-L212 HydrophobicContact CG-CD1 4.18Å; W171-L212 HydrophobicContact CZ2-CB 4.28Å; W171-L212 HydrophobicContact CZ2-CD1 4.37Å; W171-L212 HydrophobicContact CZ2-CD2 4.43Å; W171-Y215 HydrophobicContact CB-CD1 3.88Å; W171-Y215 HydrophobicContact CB-CG 3.97Å
172K98Very high97.3Very high102 Ų10250.8 Ų50.844%0.44324%0.241SC..Hα-helixtrans-56.3-48.2172.9-176.3-176.4178.6-160.90111.7A168 E169 S174 D175 E176 Y215A168-K172 PolarHBondContact O-N 3.47Å; E169-K172 WeakPolarHBondContact O-CB 3.42Å; E169-K172 PolarHBondContact O-N 3.15Å; K172-S174 VanDerWaalsContact C-N 3.26Å; K172-S174 PolarHBondContact O-N 2.89Å; K172-D175 WeakPolarHBondContact O-CB 3.45Å; K172-D175 PolarHBondContact O-N 3.32Å; K172-D175 VanDerWaalsContact O-N 3.09Å; K172-E176 WeakPolarHBondContact CE-OE1 3.49Å; K172-E176 IonicContact NZ-OE1 3.8Å; K172-E176 WeakPolarHBondContact O-CG 3.39Å; K172-E176 PolarHBondContact O-N 3.39Å; K172-Y215 VanDerWaalsContact CA-CE2 3.46Å; K172-Y215 HydrophobicContact CB-CD2 3.67Å; K172-Y215 HydrophobicContact CB-CE2 3.47Å; K172-Y215 VanDerWaalsContact CB-CE2 3.47Å; K172-Y215 HydrophobicContact CG-CD2 4.32Å; K172-Y215 HydrophobicContact CG-CE2 3.71Å
173L98.1Very high97.3Very high25 Ų2550.8 Ų50.813%0.13124%0.241CC..Hα-helixtrans-59.5-39.4175.9176.859.8000111.4T22 L162 L165 E169 W171 D175 E176 L177T22-L173 HydrophobicContact CG2-CB 4.41Å; T22-L173 HydrophobicContact CG2-CD2 3.71Å; T22-L173 HydrophobicContact CG2-CG 3.9Å; L162-L173 HydrophobicContact CD2-CD2 3.73Å; L165-L173 HydrophobicContact CD1-CB 4.39Å; L165-L173 HydrophobicContact CD1-CD2 3.9Å; E169-L173 WeakPolarHBondContact O-CB 3.23Å; E169-L173 PolarHBondContact O-N 3.28Å; W171-L173 VanDerWaalsContact C-N 3.35Å; W171-L173 PolarHBondContact O-N 3.19Å; L173-D175 VanDerWaalsContact C-N 3.31Å; L173-D175 PolarHBondContact O-N 2.95Å; L173-E176 PolarHBondContact O-N 2.8Å; L173-L177 HydrophobicContact CD1-CD1 4.05Å; L173-L177 HydrophobicContact CD1-CG 4.19Å; L173-L177 HydrophobicContact CG-CD1 4.01Å; L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 2.59Å
174S98.3Very high97.4Very high0 Ų054.2 Ų54.20%025%0.254CS..Hα-helixtrans-64.6-34.8176.2-58.30000112.5T22 T170 W171 K172 E178 V179 L180 I183T22-S174 PolarHBondContact OG1-OG 2.74Å; T22-S174 VanDerWaalsContact OG1-OG 3.04Å; T170-S174 PolarHBondContact O-N 3.34Å; T170-S174 PolarHBondContact O-OG 2.96Å; W171-S174 WeakPolarHBondContact O-CA 3.39Å; W171-S174 WeakPolarHBondContact O-CB 3.31Å; W171-S174 PolarHBondContact O-N 3.41Å; W171-S174 VanDerWaalsContact O-N 3.1Å; K172-S174 VanDerWaalsContact C-N 3.26Å; K172-S174 PolarHBondContact O-N 2.89Å; S174-E178 PolarHBondContact O-N 3.42Å; S174-V179 CarbonylContact O-C 3.58Å; S174-V179 WeakPolarHBondContact O-CG2 3.5Å; S174-V179 PolarHBondContact O-N 3.36Å; S174-L180 PolarHBondContact O-N 3.17Å; S174-L180 VanDerWaalsContact O-N 3.14Å; S174-I183 WeakPolarHBondContact OG-CD1 3.48Å
175D98Very high97.5Very high51 Ų5150.9 Ų50.927%0.27325%0.251SS..Hα-helixtrans-71.3-42.5173-15951.6000112W171 K172 L173 L177 E178 L180 Y215 K219W171-D175 PolarHBondContact O-N 2.71Å; K172-D175 WeakPolarHBondContact O-CB 3.45Å; K172-D175 PolarHBondContact O-N 3.32Å; K172-D175 VanDerWaalsContact O-N 3.09Å; L173-D175 VanDerWaalsContact C-N 3.31Å; L173-D175 PolarHBondContact O-N 2.95Å; D175-L177 PolarHBondContact O-N 3.33Å; D175-E178 WeakPolarHBondContact O-CA 3.39Å; D175-E178 PolarHBondContact O-N 3.01Å; D175-L180 HydrophobicContact CB-CB 4.26Å; D175-L180 HydrophobicContact CB-CD1 3.84Å; D175-Y215 HydrophobicContact CB-CE1 4.04Å; D175-Y215 WeakPolarHBondContact CB-OH 3.5Å; D175-Y215 PolarHBondContact OD2-OH 2.86Å; D175-K219 IonicContact OD1-NZ 3.51Å; D175-K219 IonicContact OD2-NZ 2.71Å; D175-K219 PolarHBondContact OD2-NZ 3.27Å
176E97.8Very high97.6Very high109 Ų10953.5 Ų53.551%0.50926%0.26SS..Hα-helixtrans-64.5-21.7175.5-71.1176178.200113.4K172 L173K172-E176 WeakPolarHBondContact CE-OE1 3.49Å; K172-E176 IonicContact NZ-OE1 3.8Å; K172-E176 WeakPolarHBondContact O-CG 3.39Å; K172-E176 PolarHBondContact O-N 3.39Å; L173-E176 PolarHBondContact O-N 2.8Å
177L98Very high97.8Very high22 Ų2250.6 Ų50.612%0.11525%0.245CC..THydrogen-bonded Turntrans-91.42.1171.7-67.7171.7000112.6T22 F25 K29 L173 D175 V179T22-L177 HydrophobicContact CG2-CD1 4.41Å; F25-L177 HydrophobicContact CB-CD1 4.06Å; K29-L177 HydrophobicContact CB-CD2 4.25Å; K29-L177 HydrophobicContact CD-CD2 3.43Å; K29-L177 VanDerWaalsContact CD-CD2 3.43Å; K29-L177 HydrophobicContact CG-CD2 4.5Å; L173-L177 HydrophobicContact CD1-CD1 4.05Å; L173-L177 HydrophobicContact CD1-CG 4.19Å; L173-L177 HydrophobicContact CG-CD1 4.01Å; L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 2.59Å; D175-L177 PolarHBondContact O-N 3.33Å; L177-V179 VanDerWaalsContact C-N 3.27Å; L177-V179 HydrophobicContact CB-CG2 3.73Å; L177-V179 WeakPolarHBondContact O-CG1 3.49Å; L177-V179 PolarHBondContact O-N 3.45Å
178E98.2Very high97.8Very high183 Ų18350.3 Ų50.386%0.85524%0.244SC*.THydrogen-bonded Turntrans59.432.2179.2-57179.3106.800113.8S174 D175S174-E178 PolarHBondContact O-N 3.42Å; D175-E178 WeakPolarHBondContact O-CA 3.39Å; D175-E178 PolarHBondContact O-N 3.01Å
179V98.3Very high97.7Very high20 Ų2051.2 Ų51.212%0.12125%0.249CC..  trans-131.213.9-175-67.60000113.4F25 S174 L177 D181 Y182 I183F25-V179 HydrophobicContact CB-CG2 3.99Å; F25-V179 HydrophobicContact CD1-CB 4.39Å; F25-V179 HydrophobicContact CD1-CG1 3.66Å; F25-V179 HydrophobicContact CD1-CG2 4.36Å; F25-V179 HydrophobicContact CD2-CB 4.12Å; F25-V179 HydrophobicContact CD2-CG1 4.26Å; F25-V179 HydrophobicContact CD2-CG2 3.78Å; F25-V179 HydrophobicContact CE1-CB 4.43Å; F25-V179 HydrophobicContact CE1-CG1 3.63Å; F25-V179 HydrophobicContact CE2-CB 4.17Å; F25-V179 HydrophobicContact CE2-CG1 4.25Å; F25-V179 HydrophobicContact CE2-CG2 4.32Å; F25-V179 HydrophobicContact CG-CB 4.23Å; F25-V179 HydrophobicContact CG-CG1 3.97Å; F25-V179 HydrophobicContact CG-CG2 3.8Å; F25-V179 HydrophobicContact CZ-CB 4.32Å; F25-V179 HydrophobicContact CZ-CG1 3.94Å; S174-V179 CarbonylContact O-C 3.58Å; S174-V179 WeakPolarHBondContact O-CG2 3.5Å; S174-V179 PolarHBondContact O-N 3.36Å; L177-V179 VanDerWaalsContact C-N 3.27Å; L177-V179 HydrophobicContact CB-CG2 3.73Å; L177-V179 WeakPolarHBondContact O-CG1 3.49Å; L177-V179 PolarHBondContact O-N 3.45Å; V179-D181 PolarHBondContact O-N 3.05Å; V179-Y182 PolarHBondContact O-N 3.03Å; V179-I183 HydrophobicContact CB-CD1 4.49Å; V179-I183 HydrophobicContact CG2-CD1 3.75Å; V179-I183 HydrophobicContact CG2-CG1 4.32Å; V179-I183 WeakPolarHBondContact O-CB 3.08Å; V179-I183 WeakPolarHBondContact O-CG1 3.25Å; V179-I183 PolarHBondContact O-N 3.09Å
180L97.9Very high97.4Very high15 Ų1547.6 Ų47.68%0.07923%0.232CC..Hα-helixtrans-53.1-50.8-179.8-177.8151.2000111.8W171 S174 D175 Y182 I183 R184 Y215W171-L180 HydrophobicContact CE3-CD1 4.38Å; W171-L180 HydrophobicContact CE3-CG 4.03Å; W171-L180 HydrophobicContact CZ3-CG 4.25Å; S174-L180 PolarHBondContact O-N 3.17Å; S174-L180 VanDerWaalsContact O-N 3.14Å; D175-L180 HydrophobicContact CB-CB 4.26Å; D175-L180 HydrophobicContact CB-CD1 3.84Å; L180-Y182 VanDerWaalsContact C-N 3.34Å; L180-Y182 PolarHBondContact O-N 3.36Å; L180-I183 PolarHBondContact O-N 3.46Å; L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.21Å; L180-R184 PolarHBondContact O-N 3.03Å; L180-Y215 HydrophobicContact CD1-CD1 4Å; L180-Y215 HydrophobicContact CD1-CE1 3.52Å
181D97.8Very high96.8Very high117 Ų11753.1 Ų53.163%0.62625%0.253SS*.Hα-helixtrans-65.8-38.1-178.3-73.1-24.1000112.3V179 R184 T185V179-D181 PolarHBondContact O-N 3.05Å; D181-R184 PolarHBondContact O-N 3.36Å; D181-T185 WeakPolarHBondContact O-CB 3.4Å; D181-T185 WeakPolarHBondContact O-CG2 3.33Å; D181-T185 PolarHBondContact O-N 3.39Å; D181-T185 PolarHBondContact O-OG1 3.36Å
182Y98.6Very high96.3Very high48 Ų4857.6 Ų57.619%0.18828%0.277CS..Hα-helixtrans-62.8-50.7175-176-84.3000110.5F25 I55 D58 Q59 V179 L180 R184 T185 K186F25-Y182 AromaticContact CE2-CD1 3.7Å; F25-Y182 HydrophobicContact CE2-CD1 3.7Å; F25-Y182 AromaticContact CE2-CE1 3.93Å; F25-Y182 HydrophobicContact CE2-CE1 3.93Å; F25-Y182 AromaticContact CZ-CD1 3.72Å; F25-Y182 HydrophobicContact CZ-CD1 3.72Å; F25-Y182 AromaticContact CZ-CE1 3.84Å; F25-Y182 HydrophobicContact CZ-CE1 3.84Å; F25-Y182 HydrophobicContact CZ-CG 4.36Å; I55-Y182 HydrophobicContact CG2-CE1 4.21Å; D58-Y182 WeakPolarHBondContact CB-OH 3.26Å; Q59-Y182 PolarHBondContact NE2-OH 3.01Å; Q59-Y182 VanDerWaalsContact NE2-OH 3.15Å; V179-Y182 PolarHBondContact O-N 3.03Å; L180-Y182 VanDerWaalsContact C-N 3.34Å; L180-Y182 PolarHBondContact O-N 3.36Å; Y182-R184 VanDerWaalsContact C-N 3.3Å; Y182-R184 PolarHBondContact O-N 2.98Å; Y182-T185 PolarHBondContact O-N 3.34Å; Y182-K186 HydrophobicContact CD1-CB 4.31Å; Y182-K186 HydrophobicContact CD1-CG 4.39Å; Y182-K186 HydrophobicContact CD2-CG 4.01Å; Y182-K186 HydrophobicContact CE1-CB 4.06Å; Y182-K186 HydrophobicContact CE1-CG 4.29Å; Y182-K186 HydrophobicContact CE2-CG 3.91Å; Y182-K186 HydrophobicContact CG-CG 4.26Å; Y182-K186 VanDerWaalsContact O-CB 3.23Å; Y182-K186 WeakPolarHBondContact O-CB 3.39Å; Y182-K186 WeakPolarHBondContact O-CG 3.44Å; Y182-K186 PolarHBondContact O-N 3.1Å
183I98.3Very high95.9Very high0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-61-43178.6-71.6176.8000110.1Q18 T21 T22 F25 W171 S174 V179 L180 T185 T187 R208Q18-I183 HydrophobicContact CB-CG2 4.46Å; Q18-I183 HydrophobicContact CG-CG2 3.99Å; T21-I183 HydrophobicContact CG2-CD1 4.49Å; T21-I183 HydrophobicContact CG2-CG1 3.95Å; T22-I183 WeakPolarHBondContact OG1-CD1 3.33Å; F25-I183 HydrophobicContact CD2-CD1 4.1Å; F25-I183 HydrophobicContact CD2-CG1 4.3Å; F25-I183 HydrophobicContact CE2-CG1 4.26Å; W171-I183 HydrophobicContact CH2-CG2 4.3Å; W171-I183 HydrophobicContact CZ3-CB 4.44Å; W171-I183 HydrophobicContact CZ3-CG2 3.94Å; S174-I183 WeakPolarHBondContact OG-CD1 3.48Å; V179-I183 HydrophobicContact CB-CD1 4.49Å; V179-I183 HydrophobicContact CG2-CD1 3.75Å; V179-I183 HydrophobicContact CG2-CG1 4.32Å; V179-I183 WeakPolarHBondContact O-CB 3.08Å; V179-I183 WeakPolarHBondContact O-CG1 3.25Å; V179-I183 PolarHBondContact O-N 3.09Å; L180-I183 PolarHBondContact O-N 3.46Å; I183-T185 VanDerWaalsContact C-N 3.34Å; I183-T185 PolarHBondContact O-N 2.82Å; I183-T187 HydrophobicContact CB-CG2 4.49Å; I183-T187 HydrophobicContact CG2-CG2 4.19Å; I183-T187 WeakPolarHBondContact O-CB 3.45Å; I183-T187 WeakPolarHBondContact O-CG2 3.17Å; I183-T187 PolarHBondContact O-N 3.35Å; I183-T187 PolarHBondContact O-OG1 3.46Å; I183-R208 PolarHBondContact O-NH2 3.29Å
184R98Very high95.8Very high74 Ų7456.2 Ų56.228%0.27928%0.278SS..Hα-helixtrans-61.7-39.2178.7-174.8176.9173.9-171.3-3.5113.2W171 L180 D181 Y182 G196 D197 R208W171-R184 HydrophobicContact CH2-CB 3.76Å; W171-R184 HydrophobicContact CH2-CG 4.13Å; W171-R184 HydrophobicContact CZ3-CB 3.93Å; L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.21Å; L180-R184 PolarHBondContact O-N 3.03Å; D181-R184 PolarHBondContact O-N 3.36Å; Y182-R184 VanDerWaalsContact C-N 3.3Å; Y182-R184 PolarHBondContact O-N 2.98Å; R184-G196 CarbonylContact O-C 3.54Å; R184-G196 WeakPolarHBondContact O-CA 3.29Å; R184-D197 WeakPolarHBondContact CG-OD1 3.31Å; R184-D197 IonicContact CZ-OD1 3.65Å; R184-D197 IonicContact CZ-OD2 3.68Å; R184-D197 IonicContact NE-OD1 2.88Å; R184-D197 PolarHBondContact NE-OD1 2.84Å; R184-D197 IonicContact NE-OD2 3.63Å; R184-D197 IonicContact NH2-OD1 3.53Å; R184-D197 IonicContact NH2-OD2 2.86Å; R184-D197 PolarHBondContact NH2-OD2 3.07Å; R184-R208 PolarHBondContact O-NH2 3.04Å
185T98.1Very high95.7Very high86 Ų8660.2 Ų60.253%0.52830%0.298SS..Hα-helixtrans-98-20.3-171.558.10000114.4D181 Y182 I183 I195D181-T185 WeakPolarHBondContact O-CB 3.4Å; D181-T185 WeakPolarHBondContact O-CG2 3.33Å; D181-T185 PolarHBondContact O-N 3.39Å; D181-T185 PolarHBondContact O-OG1 3.36Å; Y182-T185 PolarHBondContact O-N 3.34Å; I183-T185 VanDerWaalsContact C-N 3.34Å; I183-T185 PolarHBondContact O-N 2.82Å; T185-I195 WeakPolarHBondContact O-CG2 3.44Å
186K98.1Very high95.6Very high96 Ų9658 Ų5842%0.41729%0.288SS..Hα-helixtrans-109.1-15.7-172.1-60.4-64.9-173.3164.60115.4Y182Y182-K186 HydrophobicContact CD1-CB 4.31Å; Y182-K186 HydrophobicContact CD1-CG 4.39Å; Y182-K186 HydrophobicContact CD2-CG 4.01Å; Y182-K186 HydrophobicContact CE1-CB 4.06Å; Y182-K186 HydrophobicContact CE1-CG 4.29Å; Y182-K186 HydrophobicContact CE2-CG 3.91Å; Y182-K186 HydrophobicContact CG-CG 4.26Å; Y182-K186 VanDerWaalsContact O-CB 3.23Å; Y182-K186 WeakPolarHBondContact O-CB 3.39Å; Y182-K186 WeakPolarHBondContact O-CG 3.44Å; Y182-K186 PolarHBondContact O-N 3.1Å
187T97.9Very high95.6Very high0 Ų056.2 Ų56.20%028%0.282CS..  trans-96.1150.6-174.863.50000113.2G16 T21 I55 I183 G196 R208G16-T187 VanDerWaalsContact O-CA 3.25Å; G16-T187 WeakPolarHBondContact O-CA 3.41Å; G16-T187 WeakPolarHBondContact O-CB 3.48Å; T21-T187 HydrophobicContact CG2-CG2 3.76Å; T21-T187 VanDerWaalsContact OG1-CG2 3.29Å; T21-T187 WeakPolarHBondContact OG1-CG2 3.03Å; I55-T187 HydrophobicContact CD1-CG2 4.01Å; I183-T187 HydrophobicContact CB-CG2 4.49Å; I183-T187 HydrophobicContact CG2-CG2 4.19Å; I183-T187 WeakPolarHBondContact O-CB 3.45Å; I183-T187 WeakPolarHBondContact O-CG2 3.17Å; I183-T187 PolarHBondContact O-N 3.35Å; I183-T187 PolarHBondContact O-OG1 3.46Å; T187-G196 PolarHBondContact O-N 3.33Å; T187-R208 PolarHBondContact O-NH1 3.19Å; T187-R208 PolarHBondContact OG1-NH1 3.06Å; T187-R208 PolarHBondContact OG1-NH2 3Å
188L95.5Very high95.4Very high12 Ų1256.1 Ų56.16%0.06329%0.286CS..  trans-107.4110.7178.2176.360.8000111.1G16 G17 T47 E48 V51 C190 I194 I195G16-L188 PolarHBondContact O-N 2.86Å; G17-L188 WeakPolarHBondContact CA-O 3.43Å; T47-L188 HydrophobicContact CG2-CD2 4Å; E48-L188 HydrophobicContact CG-CD2 3.92Å; V51-L188 HydrophobicContact CB-CB 4.22Å; V51-L188 HydrophobicContact CG1-CB 3.93Å; V51-L188 HydrophobicContact CG2-CB 4.02Å; V51-L188 HydrophobicContact CG2-CD2 4.2Å; L188-C190 HydrophobicContact CD1-CB 4.09Å; L188-I194 VanDerWaalsContact CD1-C 3.47Å; L188-I194 VanDerWaalsContact CD1-O 3.24Å; L188-I194 WeakPolarHBondContact CD1-O 3.48Å; L188-I195 HydrophobicContact CB-CG1 4.46Å
189T93.2Very high95.3Very high34 Ų3448.8 Ų48.821%0.20926%0.255CS..  trans-113.5-19.3171.5-60.40000111.6Q18 Y191 A204 R208Q18-T189 PolarHBondContact N-OG1 3.22Å; T189-Y191 PolarHBondContact O-N 2.88Å; T189-A204 HydrophobicContact CG2-CB 3.99Å; T189-A204 VanDerWaalsContact O-CB 3.25Å; T189-A204 WeakPolarHBondContact O-CB 3.22Å; T189-R208 HydrophobicContact CG2-CB 4.29Å; T189-R208 PolarHBondContact OG1-NH1 3.46Å
190C91.6Very high95.1Very high3 Ų349.9 Ų49.92%0.0227%0.27CS..  trans-68128.4-176.2-175.40000111.5L188 N192 G193 I194 C199 C205L188-C190 HydrophobicContact CD1-CB 4.09Å; C190-N192 PolarHBondContact O-N 3.36Å; C190-N192 VanDerWaalsContact O-N 3.11Å; C190-N192 PolarHBondContact SG-N 3.38Å; C190-N192 VanDerWaalsContact SG-N 3.38Å; C190-G193 PolarHBondContact O-N 3.23Å; C190-G193 VanDerWaalsContact O-N 3.08Å; C190-I194 HydrophobicContact CB-CB 4.24Å; C190-I194 WeakPolarHBondContact CB-O 3.06Å; C190-C199 PolarHBondContact SG-N 3.24Å; C190-C199 VanDerWaalsContact SG-N 3.41Å; C190-C205 VanDerWaalsContact CB-SG 3.58Å; C190-C205 VanDerWaalsContact SG-SG 3.62Å
191Y85.2Confident94.9Very high118 Ų11856.8 Ų56.846%0.46330%0.302SS..THydrogen-bonded Turntrans-63.8-14.8174.6-65.8-30.2000114.4H45 T189 C202 P203 A204H45-Y191 PolarHBondContact CE1-O 2.7Å; T189-Y191 PolarHBondContact O-N 2.88Å; Y191-C202 HydrophobicContact CD2-CB 4.24Å; Y191-P203 HydrophobicContact CE2-CB 4.4Å; Y191-A204 HydrophobicContact CD1-CB 4.09Å; Y191-A204 HydrophobicContact CD2-CB 4.13Å; Y191-A204 HydrophobicContact CE1-CB 3.82Å; Y191-A204 HydrophobicContact CE2-CB 3.87Å; Y191-A204 HydrophobicContact CG-CB 4.24Å
192N87.4Confident94.5Very high94 Ų9451.7 Ų51.750%0.50328%0.275SS..THydrogen-bonded Turntrans-98.414177.2-58.3-40.6000112.9C190 I194 C199C190-N192 PolarHBondContact O-N 3.36Å; C190-N192 VanDerWaalsContact O-N 3.11Å; C190-N192 PolarHBondContact SG-N 3.38Å; C190-N192 VanDerWaalsContact SG-N 3.38Å; N192-I194 VanDerWaalsContact C-N 3.32Å; N192-I194 PolarHBondContact O-N 2.89Å; N192-C199 PolarHBondContact ND2-SG 2.87Å
193G90.5Very high94Very high16 Ų1653.9 Ų53.917%0.16530%0.296CS..  trans76.510.3174.500000115.7C190C190-G193 PolarHBondContact O-N 3.23Å; C190-G193 VanDerWaalsContact O-N 3.08Å
194I94.5Very high93.6Very high82 Ų8254.4 Ų54.442%0.42130%0.3SS..  trans-86.8116.4179.7-53.1-175.2000110.3L188 C190 N192 G198 C199L188-I194 VanDerWaalsContact CD1-C 3.47Å; L188-I194 VanDerWaalsContact CD1-O 3.24Å; L188-I194 WeakPolarHBondContact CD1-O 3.48Å; C190-I194 HydrophobicContact CB-CB 4.24Å; C190-I194 WeakPolarHBondContact CB-O 3.06Å; N192-I194 VanDerWaalsContact C-N 3.32Å; N192-I194 PolarHBondContact O-N 2.89Å; I194-G198 WeakPolarHBondContact O-CA 3.37Å; I194-C199 HydrophobicContact CD1-CB 3.79Å
195I96.5Very high93.4Very high84 Ų8451.1 Ų51.143%0.43129%0.288SS..  trans-67.7148.5178.5-59.6171000110.3V51 T185 L188V51-I195 HydrophobicContact CG2-CD1 3.55Å; V51-I195 HydrophobicContact CG2-CG1 3.75Å; T185-I195 WeakPolarHBondContact O-CG2 3.44Å; L188-I195 HydrophobicContact CB-CG1 4.46Å
196G96.8Very high93.2Very high6 Ų651.3 Ų51.36%0.06228%0.283CS..THydrogen-bonded Turntrans83.8-128.7173.300000113.1R184 T187 G198 R208R184-G196 CarbonylContact O-C 3.54Å; R184-G196 WeakPolarHBondContact O-CA 3.29Å; T187-G196 PolarHBondContact O-N 3.33Å; G196-G198 PolarHBondContact O-N 3.46Å; G196-G198 VanDerWaalsContact O-N 3.11Å; G196-R208 VanDerWaalsContact O-CZ 3.3Å; G196-R208 PolarHBondContact O-NH1 3.15Å
197D96.4Very high93Very high71 Ų7149.8 Ų49.838%0.3828%0.279SS..THydrogen-bonded Turntrans-62.3-19.9179.6-68.9-7.8000111.9R184R184-D197 WeakPolarHBondContact CG-OD1 3.31Å; R184-D197 IonicContact CZ-OD1 3.65Å; R184-D197 IonicContact CZ-OD2 3.68Å; R184-D197 IonicContact NE-OD1 2.88Å; R184-D197 PolarHBondContact NE-OD1 2.84Å; R184-D197 IonicContact NE-OD2 3.63Å; R184-D197 IonicContact NH2-OD1 3.53Å; R184-D197 IonicContact NH2-OD2 2.86Å; R184-D197 PolarHBondContact NH2-OD2 3.07Å
198G95.6Very high92.9Very high20 Ų2050.1 Ų50.121%0.20628%0.28CS..THydrogen-bonded Turntrans77.4-161.5172.100000113.5I194 G196 G200I194-G198 WeakPolarHBondContact O-CA 3.37Å; G196-G198 PolarHBondContact O-N 3.46Å; G196-G198 VanDerWaalsContact O-N 3.11Å; G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.49Å
199C95.3Very high92.9Very high29 Ų2952.5 Ų52.520%0.19629%0.291CS..THydrogen-bonded Turntrans-75.2-17.1-177.771.80000114.3C190 N192 I194 E201 C202 C205C190-C199 PolarHBondContact SG-N 3.24Å; C190-C199 VanDerWaalsContact SG-N 3.41Å; N192-C199 PolarHBondContact ND2-SG 2.87Å; I194-C199 HydrophobicContact CD1-CB 3.79Å; C199-E201 PolarHBondContact O-N 3.48Å; C199-E201 PolarHBondContact SG-N 3.11Å; C199-C202 PolarHBondContact SG-N 2.88Å; C199-C202 VanDerWaalsContact SG-N 3.37Å; C199-C205 PolarHBondContact N-SG 3.18Å
200G94.8Very high93.1Very high43 Ų4358.2 Ų58.244%0.44331%0.309SS..SBendtrans72.6-1.8-176.200000115.9G198 H206G198-G200 VanDerWaalsContact C-N 3.31Å; G198-G200 PolarHBondContact O-N 3.49Å; G200-H206 PolarHBondContact O-CE1 3.46Å; G200-H206 PolarHBondContact O-ND1 2.75Å
201E93.5Very high93.3Very high159 Ų15958.1 Ų58.174%0.74331%0.309SS*.SBendtrans-119.3-16.1-171.7-64.3172.7178.600114.1C199 H206C199-E201 PolarHBondContact O-N 3.48Å; C199-E201 PolarHBondContact SG-N 3.11Å; E201-H206 PolarHBondContact O-NE2 2.98Å
202C88.8Confident93.9Very high10 Ų1052.6 Ų52.67%0.06829%0.287CS..SBendtrans-90.6154.7179.277.60000111.7Y191 C199 A204 C205 H206Y191-C202 HydrophobicContact CD2-CB 4.24Å; C199-C202 PolarHBondContact SG-N 2.88Å; C199-C202 VanDerWaalsContact SG-N 3.37Å; C202-A204 VanDerWaalsContact C-N 3.26Å; C202-A204 PolarHBondContact O-N 3.21Å; C202-C205 PolarHBondContact O-N 2.91Å; C202-C205 PolarHBondContact SG-N 3.36Å; C202-C205 VanDerWaalsContact SG-N 3.45Å; C202-H206 PolarHBondContact O-CD2 3.43Å; C202-H206 PolarHBondContact O-N 2.81Å
203P88.2Confident94.4Very high94 Ų9450.9 Ų50.961%0.6128%0.278SS*.Hα-helixtrans-53-40.3-179.6-28.735.5000114.1Y191 H206 L207Y191-P203 HydrophobicContact CE2-CB 4.4Å; P203-H206 PolarHBondContact O-N 3.14Å; P203-L207 WeakPolarHBondContact O-CB 3.39Å; P203-L207 PolarHBondContact O-N 3.49Å
204A89.6Confident94.7Very high12 Ų1254.7 Ų54.710%0.09929%0.291CS..Hα-helixtrans-65.2-40.9178.500000112.8T189 Y191 C202 R208T189-A204 HydrophobicContact CG2-CB 3.99Å; T189-A204 VanDerWaalsContact O-CB 3.25Å; T189-A204 WeakPolarHBondContact O-CB 3.22Å; Y191-A204 HydrophobicContact CD1-CB 4.09Å; Y191-A204 HydrophobicContact CD2-CB 4.13Å; Y191-A204 HydrophobicContact CE1-CB 3.82Å; Y191-A204 HydrophobicContact CE2-CB 3.87Å; Y191-A204 HydrophobicContact CG-CB 4.24Å; C202-A204 VanDerWaalsContact C-N 3.26Å; C202-A204 PolarHBondContact O-N 3.21Å; A204-R208 VanDerWaalsContact O-CB 3.31Å; A204-R208 WeakPolarHBondContact O-CB 3.44Å; A204-R208 PolarHBondContact O-N 3.45Å
205C93.9Very high94.8Very high4 Ų451.6 Ų51.63%0.02727%0.274CS..Hα-helixtrans-64.9-43.7174-77.10000111.6C190 C199 C202 L207 R208 Q209C190-C205 VanDerWaalsContact CB-SG 3.58Å; C190-C205 VanDerWaalsContact SG-SG 3.62Å; C199-C205 PolarHBondContact N-SG 3.18Å; C202-C205 PolarHBondContact O-N 2.91Å; C202-C205 PolarHBondContact SG-N 3.36Å; C202-C205 VanDerWaalsContact SG-N 3.45Å; C205-L207 PolarHBondContact O-N 2.87Å; C205-R208 PolarHBondContact O-N 3.39Å; C205-Q209 VanDerWaalsContact O-CB 3.29Å; C205-Q209 WeakPolarHBondContact O-CB 3.49Å; C205-Q209 PolarHBondContact O-N 3.46Å
206H94.2Very high94.8Very high91 Ų9149.3 Ų49.342%0.42126%0.263SS..Hα-helixtrans-60.6-44.4177.6-70.5-48.2000112.4G200 E201 C202 P203 R210G200-H206 PolarHBondContact O-CE1 3.46Å; G200-H206 PolarHBondContact O-ND1 2.75Å; E201-H206 PolarHBondContact O-NE2 2.98Å; C202-H206 PolarHBondContact O-CD2 3.43Å; C202-H206 PolarHBondContact O-N 2.81Å; P203-H206 PolarHBondContact O-N 3.14Å; H206-R210 VanDerWaalsContact O-CB 3.22Å; H206-R210 WeakPolarHBondContact O-CB 3.15Å; H206-R210 PolarHBondContact O-N 2.73Å
207L93.3Very high94.8Very high63 Ų6355 Ų5533%0.3329%0.288SS..Hα-helixtrans-63.7-47.8178.118059.3000111.3D129 K167 P203 C205 R210 G211D129-L207 HydrophobicContact CB-CD2 4.37Å; K167-L207 HydrophobicContact CG-CD1 3.97Å; K167-L207 HydrophobicContact CG-CD2 4.36Å; K167-L207 HydrophobicContact CG-CG 3.76Å; P203-L207 WeakPolarHBondContact O-CB 3.39Å; P203-L207 PolarHBondContact O-N 3.49Å; C205-L207 PolarHBondContact O-N 2.87Å; L207-R210 PolarHBondContact O-N 2.94Å; L207-G211 PolarHBondContact O-N 3.39Å; L207-G211 VanDerWaalsContact O-N 3.09Å
208R95.8Very high94.6Very high7 Ų756 Ų563%0.02630%0.3CS..Hα-helixtrans-58.4-48.2177.1176172.1-172177.311.8112.4W171 I183 R184 T187 T189 G196 A204 C205 G211 L212W171-R208 HydrophobicContact CZ2-CG 3.89Å; W171-R208 PolarHBondContact NE1-O 2.91Å; W171-R208 VanDerWaalsContact NE1-O 3.15Å; I183-R208 PolarHBondContact O-NH2 3.29Å; R184-R208 PolarHBondContact O-NH2 3.04Å; T187-R208 PolarHBondContact O-NH1 3.19Å; T187-R208 PolarHBondContact OG1-NH1 3.06Å; T187-R208 PolarHBondContact OG1-NH2 3Å; T189-R208 HydrophobicContact CG2-CB 4.29Å; T189-R208 PolarHBondContact OG1-NH1 3.46Å; G196-R208 VanDerWaalsContact O-CZ 3.3Å; G196-R208 PolarHBondContact O-NH1 3.15Å; A204-R208 VanDerWaalsContact O-CB 3.31Å; A204-R208 WeakPolarHBondContact O-CB 3.44Å; A204-R208 PolarHBondContact O-N 3.45Å; C205-R208 PolarHBondContact O-N 3.39Å; R208-G211 PolarHBondContact O-N 2.99Å; R208-L212 PolarHBondContact O-N 3.3Å
209Q96.6Very high94.4Very high63 Ų6360.6 Ų60.629%0.29432%0.315SS..Hα-helixtrans-68.4-41.2-178.4-172.162.837.500111.8C205 G211 L212 N213C205-Q209 VanDerWaalsContact O-CB 3.29Å; C205-Q209 WeakPolarHBondContact O-CB 3.49Å; C205-Q209 PolarHBondContact O-N 3.46Å; Q209-G211 VanDerWaalsContact C-N 3.34Å; Q209-G211 PolarHBondContact O-N 3.03Å; Q209-L212 PolarHBondContact O-N 3.46Å; Q209-N213 PolarHBondContact NE2-OD1 2.71Å; Q209-N213 VanDerWaalsContact O-CG 3.3Å; Q209-N213 PolarHBondContact O-N 2.94Å; Q209-N213 PolarHBondContact O-OD1 2.89Å
210R96.2Very high93.8Very high154 Ų15462.4 Ų62.458%0.58134%0.338SS*.Hα-helixtrans-59.3-46.4176.3-174.6-174.4-56.9166.73.3111.2H206 L207 L212 N213 Q214H206-R210 VanDerWaalsContact O-CB 3.22Å; H206-R210 WeakPolarHBondContact O-CB 3.15Å; H206-R210 PolarHBondContact O-N 2.73Å; L207-R210 PolarHBondContact O-N 2.94Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 2.88Å; R210-N213 PolarHBondContact O-N 3.38Å; R210-Q214 WeakPolarHBondContact O-CB 3.31Å; R210-Q214 VanDerWaalsContact O-CG 3.31Å; R210-Q214 WeakPolarHBondContact O-CG 3.5Å; R210-Q214 PolarHBondContact O-N 3.09Å
211G96.9Very high92.6Very high1 Ų163.1 Ų63.11%0.0134%0.34CS..Hα-helixtrans-61.7-39.8175.900000112.6A168 W171 L207 R208 Q209 Y215A168-G211 WeakPolarHBondContact CA-O 3.48Å; A168-G211 WeakPolarHBondContact CB-O 3.45Å; W171-G211 VanDerWaalsContact CD1-C 3.45Å; L207-G211 PolarHBondContact O-N 3.39Å; L207-G211 VanDerWaalsContact O-N 3.09Å; R208-G211 PolarHBondContact O-N 2.99Å; Q209-G211 VanDerWaalsContact C-N 3.34Å; Q209-G211 PolarHBondContact O-N 3.03Å; G211-Y215 WeakPolarHBondContact O-CB 3.34Å; G211-Y215 PolarHBondContact O-N 2.86Å
212L97.4Very high91Very high2 Ų263 Ų631%0.0134%0.343CS..Hα-helixtrans-63.5-47.4177.1-178.759000111.2W171 R208 Q209 R210 Y215 L216W171-L212 VanDerWaalsContact CD1-CA 3.46Å; W171-L212 VanDerWaalsContact CD1-N 3.26Å; W171-L212 HydrophobicContact CD2-CB 4.48Å; W171-L212 HydrophobicContact CD2-CD1 3.91Å; W171-L212 HydrophobicContact CE3-CD1 4.23Å; W171-L212 HydrophobicContact CG-CB 4.49Å; W171-L212 HydrophobicContact CG-CD1 4.18Å; W171-L212 HydrophobicContact CZ2-CB 4.28Å; W171-L212 HydrophobicContact CZ2-CD1 4.37Å; W171-L212 HydrophobicContact CZ2-CD2 4.43Å; R208-L212 PolarHBondContact O-N 3.3Å; Q209-L212 PolarHBondContact O-N 3.46Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 2.88Å; L212-Y215 PolarHBondContact O-N 2.86Å; L212-L216 HydrophobicContact CD1-CD1 4.08Å; L212-L216 HydrophobicContact CD1-CG 4.11Å; L212-L216 HydrophobicContact CG-CD1 3.99Å; L212-L216 HydrophobicContact CG-CG 4.41Å; L212-L216 WeakPolarHBondContact O-CG 3.43Å; L212-L216 PolarHBondContact O-N 2.85Å
213N97.2Very high91.1Very high58 Ų5865.7 Ų65.731%0.3136%0.357SS..Hα-helixtrans-60.8-48.3179.1-68.4-2.9000111.2Q209 R210 Y215 L216 E217 L222Q209-N213 PolarHBondContact NE2-OD1 2.71Å; Q209-N213 VanDerWaalsContact O-CG 3.3Å; Q209-N213 PolarHBondContact O-N 2.94Å; Q209-N213 PolarHBondContact O-OD1 2.89Å; R210-N213 PolarHBondContact O-N 3.38Å; N213-Y215 VanDerWaalsContact C-N 3.27Å; N213-Y215 PolarHBondContact O-N 3.48Å; N213-L216 PolarHBondContact O-N 3.25Å; N213-E217 WeakPolarHBondContact O-CB 3.47Å; N213-E217 VanDerWaalsContact O-CG 3.31Å; N213-E217 WeakPolarHBondContact O-CG 3.35Å; N213-E217 PolarHBondContact O-N 3.08Å; N213-L222 HydrophobicContact CB-CD1 4.41Å
214Q97.1Very high91.2Very high95 Ų9564.2 Ų64.244%0.44434%0.344SS..Hα-helixtrans-57.2-40.6176.7-75.2174.3-20.700112.3A168 R210 S218A168-Q214 HydrophobicContact CB-CB 3.86Å; R210-Q214 WeakPolarHBondContact O-CB 3.31Å; R210-Q214 VanDerWaalsContact O-CG 3.31Å; R210-Q214 WeakPolarHBondContact O-CG 3.5Å; R210-Q214 PolarHBondContact O-N 3.09Å; Q214-S218 WeakPolarHBondContact O-CB 3.41Å; Q214-S218 PolarHBondContact O-N 2.92Å; Q214-S218 VanDerWaalsContact O-N 3.08Å
215Y97.6Very high91.3Very high18 Ų1867.1 Ų67.17%0.07136%0.357CS..Hα-helixtrans-67.2-47176.8174.5-114.9000112.2W171 K172 D175 L180 G211 L212 N213 E217 S218 K219W171-Y215 HydrophobicContact CB-CD1 3.88Å; W171-Y215 HydrophobicContact CB-CG 3.97Å; K172-Y215 VanDerWaalsContact CA-CE2 3.46Å; K172-Y215 HydrophobicContact CB-CD2 3.67Å; K172-Y215 HydrophobicContact CB-CE2 3.47Å; K172-Y215 VanDerWaalsContact CB-CE2 3.47Å; K172-Y215 HydrophobicContact CG-CD2 4.32Å; K172-Y215 HydrophobicContact CG-CE2 3.71Å; D175-Y215 HydrophobicContact CB-CE1 4.04Å; D175-Y215 WeakPolarHBondContact CB-OH 3.5Å; D175-Y215 PolarHBondContact OD2-OH 2.86Å; L180-Y215 HydrophobicContact CD1-CD1 4Å; L180-Y215 HydrophobicContact CD1-CE1 3.52Å; G211-Y215 WeakPolarHBondContact O-CB 3.34Å; G211-Y215 PolarHBondContact O-N 2.86Å; L212-Y215 PolarHBondContact O-N 2.86Å; N213-Y215 VanDerWaalsContact C-N 3.27Å; N213-Y215 PolarHBondContact O-N 3.48Å; Y215-E217 PolarHBondContact O-N 3.2Å; Y215-S218 WeakPolarHBondContact O-CB 3.31Å; Y215-S218 PolarHBondContact O-N 3.1Å; Y215-S218 VanDerWaalsContact O-N 3.12Å; Y215-S218 PolarHBondContact O-OG 3.15Å; Y215-K219 PolarHBondContact O-N 2.66Å; Y215-K219 VanDerWaalsContact O-N 3.1Å
216L96.2Very high91.2Very high35 Ų3570.8 Ų70.818%0.18338%0.377CS..Hα-helixtrans-64.4-39.4179.3-68.8176.1000112.1L212 N213 S218 K219 G220 A221 L222L212-L216 HydrophobicContact CD1-CD1 4.08Å; L212-L216 HydrophobicContact CD1-CG 4.11Å; L212-L216 HydrophobicContact CG-CD1 3.99Å; L212-L216 HydrophobicContact CG-CG 4.41Å; L212-L216 WeakPolarHBondContact O-CG 3.43Å; L212-L216 PolarHBondContact O-N 2.85Å; N213-L216 PolarHBondContact O-N 3.25Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.26Å; L216-K219 PolarHBondContact O-N 3.12Å; L216-K219 VanDerWaalsContact O-N 3.15Å; L216-G220 PolarHBondContact O-N 2.91Å; L216-A221 HydrophobicContact CB-CB 4.37Å; L216-A221 HydrophobicContact CD2-CB 4.12Å; L216-A221 PolarHBondContact O-N 3.23Å; L216-L222 HydrophobicContact CB-CD1 3.55Å; L216-L222 HydrophobicContact CB-CG 3.86Å; L216-L222 HydrophobicContact CD1-CD1 4.21Å; L216-L222 HydrophobicContact CD1-CG 4.45Å
217E95.6Very high91Very high125 Ų12569.5 Ų69.558%0.58437%0.374SS*.Hα-helixtrans-57.6-44.6170.7-75168.5-165.900110.9N213 Y215 K219 G220 L222N213-E217 WeakPolarHBondContact O-CB 3.47Å; N213-E217 VanDerWaalsContact O-CG 3.31Å; N213-E217 WeakPolarHBondContact O-CG 3.35Å; N213-E217 PolarHBondContact O-N 3.08Å; Y215-E217 PolarHBondContact O-N 3.2Å; E217-K219 PolarHBondContact O-N 3.46Å; E217-G220 PolarHBondContact O-N 3.07Å; E217-L222 HydrophobicContact CG-CB 4.25Å; E217-L222 HydrophobicContact CG-CD1 4.05Å
218S93.8Very high90.8Very high92 Ų9269.9 Ų69.964%0.64338%0.377SS*.Hα-helixtrans-65.5-2417881.20000114.1Q214 Y215 L216Q214-S218 WeakPolarHBondContact O-CB 3.41Å; Q214-S218 PolarHBondContact O-N 2.92Å; Q214-S218 VanDerWaalsContact O-N 3.08Å; Y215-S218 WeakPolarHBondContact O-CB 3.31Å; Y215-S218 PolarHBondContact O-N 3.1Å; Y215-S218 VanDerWaalsContact O-N 3.12Å; Y215-S218 PolarHBondContact O-OG 3.15Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.26Å
219K89.9Confident90.5Very high118 Ų11874.4 Ų74.451%0.51340%0.402SS..THydrogen-bonded Turntrans-86.3-8.9176.2-167170.9179.31700112.5D175 Y215 L216 E217 A221D175-K219 IonicContact OD1-NZ 3.51Å; D175-K219 IonicContact OD2-NZ 2.71Å; D175-K219 PolarHBondContact OD2-NZ 3.27Å; Y215-K219 PolarHBondContact O-N 2.66Å; Y215-K219 VanDerWaalsContact O-N 3.1Å; L216-K219 PolarHBondContact O-N 3.12Å; L216-K219 VanDerWaalsContact O-N 3.15Å; E217-K219 PolarHBondContact O-N 3.46Å; K219-A221 VanDerWaalsContact C-N 3.28Å; K219-A221 HydrophobicContact CB-CB 4.26Å; K219-A221 HydrophobicContact CG-CB 4.47Å
220G82.7Confident90Very high66 Ų6675.3 Ų75.368%0.6841%0.41SS*.THydrogen-bonded Turntrans68.627.5-169.400000113L216 E217L216-G220 PolarHBondContact O-N 2.91Å; E217-G220 PolarHBondContact O-N 3.07Å
221A69.6Low89.5Confident59 Ų5968.8 Ų68.849%0.48840%0.396SS..  trans-994.8-177.100000113.7L216 K219L216-A221 HydrophobicContact CB-CB 4.37Å; L216-A221 HydrophobicContact CD2-CB 4.12Å; L216-A221 PolarHBondContact O-N 3.23Å; K219-A221 VanDerWaalsContact C-N 3.28Å; K219-A221 HydrophobicContact CB-CB 4.26Å; K219-A221 HydrophobicContact CG-CB 4.47Å
222L60.1Low88.8Confident156 Ų15674.9 Ų74.982%0.81743%0.431SS*.  trans-129.30174-81.8168.5000110.4N213 L216 E217N213-L222 HydrophobicContact CB-CD1 4.41Å; L216-L222 HydrophobicContact CB-CD1 3.55Å; L216-L222 HydrophobicContact CB-CG 3.86Å; L216-L222 HydrophobicContact CD1-CD1 4.21Å; L216-L222 HydrophobicContact CD1-CG 4.45Å; E217-L222 HydrophobicContact CG-CB 4.25Å; E217-L222 HydrophobicContact CG-CD1 4.05Å

Retrieved 222 of 222 residues in 137.1 ms (Link to these results)

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