A0A060YL10_ONCMY Loading...

Ribonuclease P/MRP 14 subunit

AlphaFold DB , UniProt , Accession A0A060YL10, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rpp14, Length 129 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
1M39.5Very low58Low249 Ų249168.4 Ų168.4100%1.22786%0.858SS**  01050-83.1170.1170.700108.5
2R43.6Very low59.9Low252 Ų252164.4 Ų164.495%0.95185%0.848SS**PPolyproline II helixtrans-90.3119.7172.1-72.4-179.7-177.7169.51.1107.2A4R2-A4 PolarHBondContact O-N 3.24Å
3R47.8Very low62.1Low244 Ų244166.5 Ų166.592%0.92184%0.84SS**PPolyproline II helixtrans-69.4122167.8-84.3177.9163164.1-5.4106.9
4A52.6Low64.2Low87 Ų87164.6 Ų164.672%0.71983%0.827SS**PPolyproline II helixtrans-69.5125.2168.600000107.7R2 I6R2-A4 PolarHBondContact O-N 3.24Å; A4-I6 PolarHBondContact O-N 2.64Å; A4-I6 VanDerWaalsContact O-N 3.1Å
5D54.9Low66.2Low159 Ų159166 Ų16685%0.8582%0.819SS**  trans-62.6106.8165.2-88.9-47000107.6Q7D5-Q7 PolarHBondContact O-N 3.29Å
6I63.2Low67.9Low145 Ų145161.4 Ų161.474%0.74480%0.798SS**  trans-74.7102166.3-61.5168000104.8A4 D8A4-I6 PolarHBondContact O-N 2.64Å; A4-I6 VanDerWaalsContact O-N 3.1Å; I6-D8 PolarHBondContact O-N 3.01Å; I6-D8 VanDerWaalsContact O-N 3.09Å
7Q61.4Low69.5Low178 Ų178158.3 Ų158.383%0.83279%0.79SS**  trans-69.699.4166.4-77.1177.3-1800107.4D5 E9D5-Q7 PolarHBondContact O-N 3.29Å; Q7-E9 PolarHBondContact O-N 2.64Å; Q7-E9 VanDerWaalsContact O-N 3.08Å
8D61.8Low70.8Confident149 Ų149158.1 Ų158.180%0.79778%0.78SS**  trans-63.799.7165.7-104.4-62.4000107.9I6I6-D8 PolarHBondContact O-N 3.01Å; I6-D8 VanDerWaalsContact O-N 3.09Å
9E69.9Low71.9Confident176 Ų176160.3 Ų160.382%0.82278%0.784SS**  trans-63.5132.8165.9-72.2-147.9142.400108.8Q7 A11Q7-E9 PolarHBondContact O-N 2.64Å; Q7-E9 VanDerWaalsContact O-N 3.08Å; E9-A11 PolarHBondContact O-N 3.2Å
10P70.1Confident72.7Confident106 Ų106158.3 Ų158.369%0.68878%0.777SS**  trans-63.8129.2-178.526.1-32.3000109.3T12P10-T12 PolarHBondContact O-N 3.22Å; P10-T12 PolarHBondContact O-OG1 3.12Å
11A72.6Confident73.5Confident107 Ų107155 Ų15588%0.88477%0.766SS**  trans-57.391167.300000108.9E9 Y13E9-A11 PolarHBondContact O-N 3.2Å; A11-Y13 PolarHBondContact O-N 3.47Å
12T81.8Confident75.9Confident121 Ų121144 Ų14474%0.74271%0.714SS**  trans-83.9111.8-174.6-63.20000107.8P10P10-T12 PolarHBondContact O-N 3.22Å; P10-T12 PolarHBondContact O-OG1 3.12Å
13Y88.1Confident78.4Confident191 Ų191135.9 Ų135.975%0.74969%0.692SS**  trans-89.9127.6174.6174-100.1000110A11 R15A11-Y13 PolarHBondContact O-N 3.47Å; Y13-R15 HydrophobicContact CE1-CB 3.94Å
14E91.7Very high80.7Confident140 Ų140127.2 Ų127.265%0.65466%0.66SS**  trans-121.5132174.7-163.2179.9-165.200110.4L16E14-L16 HydrophobicContact CG-CD1 4.43Å; E14-L16 HydrophobicContact CG-CD2 4.05Å; E14-L16 HydrophobicContact CG-CG 3.94Å; E14-L16 WeakPolarHBondContact OE1-CD2 3.42Å
15R93.4Very high82.8Confident186 Ų186124.3 Ų124.370%0.70263%0.631SS**  trans-109.7103173.7-177.4175.4178.6-95.31.5109.8Y13 V17Y13-R15 HydrophobicContact CE1-CB 3.94Å; R15-V17 HydrophobicContact CG-CG2 4.47Å
16L94Very high84.9Confident93 Ų93118.3 Ų118.349%0.48760%0.597SS.*  trans-101.9128.5176.2-61.9174.5000110.3E14 Y18E14-L16 HydrophobicContact CG-CD1 4.43Å; E14-L16 HydrophobicContact CG-CD2 4.05Å; E14-L16 HydrophobicContact CG-CG 3.94Å; E14-L16 WeakPolarHBondContact OE1-CD2 3.42Å; L16-Y18 HydrophobicContact CB-CD2 4.41Å; L16-Y18 HydrophobicContact CB-CE2 3.66Å; L16-Y18 HydrophobicContact CD1-CE2 4.41Å; L16-Y18 WeakPolarHBondContact CD1-OH 3.45Å
17V95.1Very high86.5Confident108 Ų108111.4 Ų111.466%0.65556%0.562SS**  trans-119.4120.7176.4-178.30000108.7R15R15-V17 HydrophobicContact CG-CG2 4.47Å
18Y93.1Very high88.2Confident155 Ų155107.2 Ų107.261%0.60854%0.538SS*.  trans-109.4131-178.6-67.9-75.5000110.1L16 T21L16-Y18 HydrophobicContact CB-CD2 4.41Å; L16-Y18 HydrophobicContact CB-CE2 3.66Å; L16-Y18 HydrophobicContact CD1-CE2 4.41Å; L16-Y18 WeakPolarHBondContact CD1-OH 3.45Å; Y18-T21 HydrophobicContact CD1-CG2 3.78Å; Y18-T21 HydrophobicContact CG-CG2 4.01Å
19K92Very high89.9Confident199 Ų199100.1 Ų100.187%0.86550%0.5SS*.SBendtrans-106.9118177.2-172.1177.7179.9-179.70109.6T21K19-T21 PolarHBondContact O-N 2.74Å
20N86.9Confident91.1Very high121 Ų12193 Ų9365%0.64747%0.47SS*.SBendtrans51.846.7175.4-166.829.6000114.2S22N20-S22 PolarHBondContact O-N 3.02Å
21T89.6Confident92.3Very high88 Ų8888.1 Ų88.154%0.5444%0.438SS..  trans-77.8-3.5178.2440000114Y18 K19 V23Y18-T21 HydrophobicContact CD1-CG2 3.78Å; Y18-T21 HydrophobicContact CG-CG2 4.01Å; K19-T21 PolarHBondContact O-N 2.74Å; T21-V23 PolarHBondContact O-N 2.78Å
22S91.2Very high93.3Very high19 Ų1985.6 Ų85.613%0.13341%0.411CS..  trans-71.6106.9177.5-1620000110.6N20 Y24 P114N20-S22 PolarHBondContact O-N 3.02Å; S22-Y24 VanDerWaalsContact C-N 3.29Å; S22-Y24 PolarHBondContact OG-O 2.88Å; S22-P114 WeakPolarHBondContact OG-CB 3.47Å; S22-P114 PolarHBondContact OG-O 2.92Å
23V94.8Very high93.8Very high82 Ų8280.6 Ų80.650%0.49738%0.38SS..  trans-70.4-32.6175.3178.60000110.8T21 Y83 N84T21-V23 PolarHBondContact O-N 2.78Å; V23-Y83 HydrophobicContact CG1-CD1 3.64Å; V23-Y83 HydrophobicContact CG1-CE1 3.69Å; V23-Y83 WeakPolarHBondContact O-CA 3.21Å; V23-N84 PolarHBondContact O-N 3.36Å
24Y96.7Very high93.8Very high61 Ų6177.8 Ų77.824%0.23937%0.374CS..EExtended strand (participates in β ladder)trans-114.7157.1-173.4-62.3-73.6000112.6S22 R81 V82 Y83S22-Y24 VanDerWaalsContact C-N 3.29Å; S22-Y24 PolarHBondContact OG-O 2.88Å; Y24-R81 HydrophobicContact CD1-CG 3.72Å; Y24-R81 HydrophobicContact CE1-CG 4.44Å; Y24-R81 HydrophobicContact CG-CG 4.02Å; Y24-V82 CarbonylContact C-O 3.58Å; Y24-V82 VanDerWaalsContact CA-O 3.28Å; Y24-V82 WeakPolarHBondContact CA-O 3.43Å; Y24-Y83 HydrophobicContact CD1-CD1 4.03Å; Y24-Y83 HydrophobicContact CD1-CE1 4.19Å; Y24-Y83 HydrophobicContact CD1-CG 4.37Å; Y24-Y83 AromaticContact CE1-CD1 3.56Å; Y24-Y83 HydrophobicContact CE1-CD1 3.56Å; Y24-Y83 HydrophobicContact CE1-CD2 4.25Å; Y24-Y83 AromaticContact CE1-CE1 3.28Å; Y24-Y83 HydrophobicContact CE1-CE1 3.28Å; Y24-Y83 HydrophobicContact CE1-CE2 4.01Å; Y24-Y83 HydrophobicContact CE1-CG 4.04Å; Y24-Y83 AromaticContact CE1-CZ 3.52Å; Y24-Y83 AromaticContact CZ-CE1 3.49Å; Y24-Y83 VanDerWaalsContact CZ-CE1 3.49Å; Y24-Y83 AromaticContact CZ-CZ 3.82Å; Y24-Y83 WeakPolarHBondContact OH-CE1 3.41Å; Y24-Y83 PolarHBondContact OH-OH 3.3Å
25H97.1Very high93.7Very high27 Ų2773.8 Ų73.813%0.12536%0.357CS..EExtended strand (participates in β ladder)trans-125.6147164.3-73.771.7000108.9R81 V82 N84 L87H25-R81 WeakPolarHBondContact O-CA 3.27Å; H25-V82 HydrophobicContact CB-CG1 4.27Å; H25-V82 PolarHBondContact N-O 3.27Å; H25-V82 PolarHBondContact O-N 2.69Å; H25-N84 PolarHBondContact CE1-OD1 2.87Å; H25-N84 VanDerWaalsContact CE1-OD1 3.27Å; H25-L87 HydrophobicContact CB-CD1 3.97Å; H25-L87 HydrophobicContact CB-CD2 4.2Å; H25-L87 HydrophobicContact CB-CG 4.49Å
26Y97.7Very high92.9Very high32 Ų3274.3 Ų74.313%0.12537%0.367CS..EExtended strand (participates in β ladder)trans-118.2134.8-179-54.8-89.7000109.2L69 L80 R81 V112 S113 P114 L116Y26-L69 HydrophobicContact CD1-CD1 3.72Å; Y26-L69 HydrophobicContact CE1-CD1 3.73Å; Y26-L80 CarbonylContact C-O 3.59Å; Y26-L80 WeakPolarHBondContact CA-O 3.48Å; Y26-R81 HydrophobicContact CD1-CB 3.88Å; Y26-R81 HydrophobicContact CD1-CG 4.05Å; Y26-R81 HydrophobicContact CE1-CB 3.9Å; Y26-R81 HydrophobicContact CE1-CG 3.67Å; Y26-V112 CarbonylContact O-C 3.49Å; Y26-V112 WeakPolarHBondContact O-CA 3.49Å; Y26-S113 PolarHBondContact N-O 2.63Å; Y26-S113 PolarHBondContact O-N 2.99Å; Y26-P114 VanDerWaalsContact CE2-O 3.28Å; Y26-P114 WeakPolarHBondContact CE2-O 3.47Å; Y26-L116 HydrophobicContact CD1-CD1 4.29Å; Y26-L116 HydrophobicContact CD1-CD2 3.44Å; Y26-L116 VanDerWaalsContact CD1-CD2 3.44Å; Y26-L116 HydrophobicContact CD1-CG 3.7Å; Y26-L116 HydrophobicContact CD2-CD2 4.38Å; Y26-L116 HydrophobicContact CD2-CG 4.18Å; Y26-L116 HydrophobicContact CE1-CD1 3.89Å; Y26-L116 HydrophobicContact CE1-CD2 3.93Å; Y26-L116 HydrophobicContact CE1-CG 3.68Å; Y26-L116 HydrophobicContact CE2-CG 4.2Å; Y26-L116 HydrophobicContact CG-CD2 3.69Å; Y26-L116 HydrophobicContact CG-CG 3.95Å
27M97.8Very high92.3Very high0 Ų074 Ų740%037%0.373CS..EExtended strand (participates in β ladder)trans-122.1121.1-179.3-56.5179.173.900108.7I29 V79 L80 L87 L90 W91 L94 V109 V112M27-I29 HydrophobicContact CB-CG2 4.33Å; M27-V79 CarbonylContact O-C 3.59Å; M27-V79 WeakPolarHBondContact O-CA 3.22Å; M27-L80 HydrophobicContact CB-CB 4.43Å; M27-L80 PolarHBondContact N-O 3.33Å; M27-L80 PolarHBondContact O-N 2.96Å; M27-L87 HydrophobicContact CE-CD1 4.35Å; M27-L87 HydrophobicContact CG-CD1 3.83Å; M27-L87 HydrophobicContact SD-CD1 3.55Å; M27-L87 VanDerWaalsContact SD-CD1 3.55Å; M27-L90 HydrophobicContact SD-CD2 4.06Å; M27-L90 HydrophobicContact SD-CG 4.39Å; M27-W91 HydrophobicContact CE-CB 3.87Å; M27-W91 HydrophobicContact CE-CD2 3.85Å; M27-W91 HydrophobicContact CE-CE3 4.02Å; M27-W91 HydrophobicContact CE-CG 3.79Å; M27-L94 HydrophobicContact CE-CD1 4.44Å; M27-V109 HydrophobicContact CE-CB 4.48Å; M27-V109 HydrophobicContact CE-CG1 3.79Å; M27-V109 HydrophobicContact CE-CG2 3.81Å; M27-V112 HydrophobicContact CB-CG2 4.43Å; M27-V112 HydrophobicContact CE-CG2 4.11Å; M27-V112 HydrophobicContact CG-CG1 4.15Å; M27-V112 HydrophobicContact CG-CG2 4.06Å
28R97.3Very high91.7Very high90 Ų9069.9 Ų69.934%0.3435%0.348SS..EExtended strand (participates in β ladder)trans-82.6124.8165.6-167.4-173.6-67.9-142.85.5107.8G78 T110 Q111 L119R28-G78 WeakPolarHBondContact CA-O 3.39Å; R28-T110 WeakPolarHBondContact CB-OG1 3.46Å; R28-T110 WeakPolarHBondContact CD-OG1 3.41Å; R28-T110 WeakPolarHBondContact CG-OG1 3.38Å; R28-T110 PolarHBondContact O-N 3.47Å; R28-T110 PolarHBondContact O-OG1 3.27Å; R28-T110 VanDerWaalsContact O-OG1 3.08Å; R28-Q111 HydrophobicContact CB-CB 4.27Å; R28-Q111 PolarHBondContact N-O 2.8Å; R28-L119 HydrophobicContact CB-CD1 4.3Å; R28-L119 HydrophobicContact CB-CD2 4.38Å; R28-L119 HydrophobicContact CB-CG 4.44Å; R28-L119 PolarHBondContact NH2-O 3.42Å
29I97Very high91.3Very high1 Ų173.2 Ų73.21%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-122.6152.2-177.659.2158.2000110.1M27 L45 I49 T77 G78 L80 L94 F107 R108 V109M27-I29 HydrophobicContact CB-CG2 4.33Å; I29-L45 HydrophobicContact CD1-CD2 4.37Å; I29-I49 HydrophobicContact CD1-CD1 4.33Å; I29-T77 CarbonylContact O-C 3.55Å; I29-T77 VanDerWaalsContact O-CA 3.27Å; I29-T77 WeakPolarHBondContact O-CA 3.28Å; I29-G78 WeakPolarHBondContact CG1-O 3.28Å; I29-G78 PolarHBondContact N-O 2.86Å; I29-G78 PolarHBondContact O-N 2.93Å; I29-L80 HydrophobicContact CD1-CD1 3.81Å; I29-L80 HydrophobicContact CD1-CD2 4.35Å; I29-L80 HydrophobicContact CD1-CG 3.94Å; I29-L80 HydrophobicContact CG1-CD1 4.4Å; I29-L80 HydrophobicContact CG1-CG 4.28Å; I29-L80 HydrophobicContact CG2-CD1 4.13Å; I29-L94 HydrophobicContact CG2-CD1 4.19Å; I29-F107 HydrophobicContact CD1-CD1 4.05Å; I29-F107 HydrophobicContact CD1-CE1 3.89Å; I29-R108 CarbonylContact C-O 3.57Å; I29-R108 WeakPolarHBondContact CA-O 3.43Å; I29-V109 HydrophobicContact CG2-CG2 4.34Å
30S95.6Very high91.2Very high25 Ų2563.9 Ų63.918%0.17532%0.319CS..EExtended strand (participates in β ladder)trans-128.4126.4169.1-167.90000107R108S30-R108 PolarHBondContact N-O 2.98Å; S30-R108 PolarHBondContact O-N 3.19Å
31L95Very high91.5Very high5 Ų560 Ų603%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-90.5130.4171.117762.1000108.3L33 L40 L45 L76 C105 F107L31-L33 HydrophobicContact CD1-CD2 4.3Å; L31-L33 HydrophobicContact CD2-CD2 3.95Å; L31-L33 HydrophobicContact CD2-CG 4.26Å; L31-L33 HydrophobicContact CG-CD2 4.03Å; L31-L33 HydrophobicContact CG-CG 4.18Å; L31-L40 HydrophobicContact CD2-CD1 3.88Å; L31-L40 HydrophobicContact CD2-CD2 4.15Å; L31-L45 HydrophobicContact CD2-CD1 4.02Å; L31-L76 HydrophobicContact CB-CB 4.2Å; L31-L76 PolarHBondContact N-O 2.92Å; L31-L76 WeakPolarHBondContact O-CB 3.31Å; L31-C105 HydrophobicContact CD1-CB 4.06Å; L31-F107 HydrophobicContact CB-CD1 4.44Å; L31-F107 HydrophobicContact CB-CE1 4.17Å; L31-F107 HydrophobicContact CD1-CD1 4.22Å; L31-F107 HydrophobicContact CD1-CD2 4.19Å; L31-F107 HydrophobicContact CD1-CE1 3.97Å; L31-F107 HydrophobicContact CD1-CE2 3.91Å; L31-F107 HydrophobicContact CD1-CG 4.35Å; L31-F107 HydrophobicContact CD1-CZ 3.82Å
32V93.3Very high91.8Very high54 Ų5457.7 Ų57.733%0.32729%0.291SS..EExtended strand (participates in β ladder)trans-111.7121.2171.6-176.50000107.4C105 F106V32-C105 VanDerWaalsContact O-CA 3.28Å; V32-C105 WeakPolarHBondContact O-CA 3.49Å; V32-F106 HydrophobicContact CB-CD1 3.95Å; V32-F106 HydrophobicContact CB-CD2 4.25Å; V32-F106 HydrophobicContact CB-CE1 3.47Å; V32-F106 VanDerWaalsContact CB-CE1 3.47Å; V32-F106 HydrophobicContact CB-CE2 3.81Å; V32-F106 HydrophobicContact CB-CG 4.32Å; V32-F106 HydrophobicContact CB-CZ 3.4Å; V32-F106 HydrophobicContact CG1-CD1 4.24Å; V32-F106 HydrophobicContact CG1-CE1 3.42Å; V32-F106 VanDerWaalsContact CG1-CE1 3.42Å; V32-F106 HydrophobicContact CG1-CE2 4.43Å; V32-F106 HydrophobicContact CG1-CZ 3.54Å; V32-F106 HydrophobicContact CG2-CD2 4.39Å; V32-F106 HydrophobicContact CG2-CE1 4.19Å; V32-F106 HydrophobicContact CG2-CE2 3.67Å; V32-F106 HydrophobicContact CG2-CZ 3.56Å; V32-F106 PolarHBondContact N-O 2.78Å; V32-F106 PolarHBondContact O-N 2.97Å
33L92Very high92Very high16 Ų1660.2 Ų60.28%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-102.5145.9176.3-62.5174.1000108.4L31 N35 T38 L76 C105L31-L33 HydrophobicContact CD1-CD2 4.3Å; L31-L33 HydrophobicContact CD2-CD2 3.95Å; L31-L33 HydrophobicContact CD2-CG 4.26Å; L31-L33 HydrophobicContact CG-CD2 4.03Å; L31-L33 HydrophobicContact CG-CG 4.18Å; L33-N35 PolarHBondContact O-N 2.88Å; L33-T38 HydrophobicContact CD1-CG2 3.96Å; L33-T38 WeakPolarHBondContact CD1-O 3.28Å; L33-L76 HydrophobicContact CD1-CD1 3.72Å; L33-L76 HydrophobicContact CG-CD1 4.03Å; L33-C105 HydrophobicContact CD2-CB 3.59Å
34E89.6Confident92Very high132 Ų13259.9 Ų59.962%0.61731%0.306SS*.SBendtrans-62.2-35.9172.4-179.4171.7-141.200111.9L104E34-L104 HydrophobicContact CB-CB 4.24Å; E34-L104 WeakPolarHBondContact CB-O 3.34Å; E34-L104 PolarHBondContact N-O 3.45Å; E34-L104 PolarHBondContact OE2-N 3.4Å
35N87.7Confident91.9Very high55 Ų5557 Ų5729%0.29430%0.295SS..  trans-107.8116.6179.2-175.6-3.2000111L33 S37 T38 E103L33-N35 PolarHBondContact O-N 2.88Å; N35-S37 VanDerWaalsContact CG-OG 3.24Å; N35-S37 PolarHBondContact ND2-OG 2.83Å; N35-S37 PolarHBondContact O-N 2.98Å; N35-S37 WeakPolarHBondContact OD1-CB 3.4Å; N35-S37 PolarHBondContact OD1-N 2.99Å; N35-S37 PolarHBondContact OD1-OG 2.96Å; N35-T38 WeakPolarHBondContact O-CB 3.42Å; N35-T38 PolarHBondContact O-N 3.1Å; N35-E103 VanDerWaalsContact CB-OE1 3.28Å; N35-E103 WeakPolarHBondContact CB-OE1 3.46Å; N35-E103 WeakPolarHBondContact CB-OE2 2.93Å; N35-E103 PolarHBondContact ND2-OE1 2.92Å
36E77.8Confident91.9Very high197 Ų19759.8 Ų59.892%0.92131%0.307SS*.THydrogen-bonded Turntrans-69.8-17.1179.8-62.4-173.5163.200113.5T38E36-T38 VanDerWaalsContact C-N 3.3Å
37S80.5Confident91.8Very high88 Ų8864.3 Ų64.362%0.61533%0.329SS*.THydrogen-bonded Turntrans-79.6-15.8177.270.20000113.2N35 R39N35-S37 VanDerWaalsContact CG-OG 3.24Å; N35-S37 PolarHBondContact ND2-OG 2.83Å; N35-S37 PolarHBondContact O-N 2.98Å; N35-S37 WeakPolarHBondContact OD1-CB 3.4Å; N35-S37 PolarHBondContact OD1-N 2.99Å; N35-S37 PolarHBondContact OD1-OG 2.96Å; S37-R39 PolarHBondContact O-N 3.26Å; S37-R39 VanDerWaalsContact O-N 3.12Å
38T82.8Confident91.7Very high21 Ų2164.9 Ų64.913%0.12933%0.332CS..  trans-71.1108.7-177.9-61.30000109.5L33 N35 E36 Y100 E103L33-T38 HydrophobicContact CD1-CG2 3.96Å; L33-T38 WeakPolarHBondContact CD1-O 3.28Å; N35-T38 WeakPolarHBondContact O-CB 3.42Å; N35-T38 PolarHBondContact O-N 3.1Å; E36-T38 VanDerWaalsContact C-N 3.3Å; T38-Y100 HydrophobicContact CG2-CD1 4.24Å; T38-Y100 HydrophobicContact CG2-CE1 4.07Å; T38-E103 PolarHBondContact OG1-OE2 2.9Å
39R84.4Confident91.6Very high225 Ų22560.7 Ų60.785%0.84932%0.316SS*.  trans-86.5135.6175-64-169.8-178.4-171.90.5110S37S37-R39 PolarHBondContact O-N 3.26Å; S37-R39 VanDerWaalsContact O-N 3.12Å
40L90.4Very high91.6Very high3 Ų362.3 Ų62.32%0.01633%0.326CS..  trans-130.2124.1-178.7-172.2137000108.3L31 Q44 L45 L48 F71 L76 Y100L31-L40 HydrophobicContact CD2-CD1 3.88Å; L31-L40 HydrophobicContact CD2-CD2 4.15Å; L40-Q44 HydrophobicContact CG-CB 4.11Å; L40-L45 HydrophobicContact CD2-CB 3.44Å; L40-L45 VanDerWaalsContact CD2-CB 3.44Å; L40-L45 HydrophobicContact CD2-CD1 3.73Å; L40-L45 HydrophobicContact CD2-CG 4.12Å; L40-L48 HydrophobicContact CD1-CD2 4.42Å; L40-F71 HydrophobicContact CD2-CE1 3.99Å; L40-F71 HydrophobicContact CD2-CZ 3.76Å; L40-F71 VanDerWaalsContact O-CE1 3.31Å; L40-F71 WeakPolarHBondContact O-CE1 3.34Å; L40-L76 HydrophobicContact CB-CD2 4.37Å; L40-Y100 HydrophobicContact CD1-CD1 3.98Å; L40-Y100 HydrophobicContact CD1-CD2 4.25Å; L40-Y100 HydrophobicContact CD1-CE1 3.64Å; L40-Y100 HydrophobicContact CD1-CE2 3.92Å; L40-Y100 HydrophobicContact CD1-CG 4.25Å
41S94.1Very high91.6Very high38 Ų3862.6 Ų62.627%0.26633%0.328SS..  trans-84.4161.5176.763.40000111.5A43 Q44 L45 E73S41-A43 PolarHBondContact O-N 2.89Å; S41-Q44 PolarHBondContact O-N 3.34Å; S41-Q44 VanDerWaalsContact O-N 3.09Å; S41-Q44 WeakPolarHBondContact OG-CG 3.21Å; S41-Q44 PolarHBondContact OG-N 3.2Å; S41-Q44 PolarHBondContact OG-OE1 3.09Å; S41-L45 PolarHBondContact O-N 2.87Å; S41-E73 WeakPolarHBondContact CA-OE1 3.44Å
42A95.1Very high91.6Very high40 Ų4062.7 Ų62.733%0.33133%0.331SS..Hα-helixtrans-55-36.617500000113.3K46 L68 F71A42-K46 PolarHBondContact O-N 3.09Å; A42-L68 HydrophobicContact CB-CD2 4.05Å; A42-L68 WeakPolarHBondContact O-CD2 3.44Å; A42-F71 HydrophobicContact CB-CB 4.2Å; A42-F71 HydrophobicContact CB-CD1 3.96Å
43A95.5Very high91.7Very high73 Ų7360.2 Ų60.260%0.60332%0.316SS*.Hα-helixtrans-68.6-42.8177.400000111.9S41 K46 Q47S41-A43 PolarHBondContact O-N 2.89Å; A43-K46 PolarHBondContact O-N 3.26Å; A43-Q47 WeakPolarHBondContact O-CB 3.44Å; A43-Q47 PolarHBondContact O-N 3.42Å
44Q94.8Very high92Very high74 Ų7464.5 Ų64.535%0.34633%0.331SS..Hα-helixtrans-65.2-39.3175.3-73.3165.1-43.600111.6L40 S41 Q47 L48L40-Q44 HydrophobicContact CG-CB 4.11Å; S41-Q44 PolarHBondContact O-N 3.34Å; S41-Q44 VanDerWaalsContact O-N 3.09Å; S41-Q44 WeakPolarHBondContact OG-CG 3.21Å; S41-Q44 PolarHBondContact OG-N 3.2Å; S41-Q44 PolarHBondContact OG-OE1 3.09Å; Q44-Q47 PolarHBondContact O-N 3.31Å; Q44-L48 WeakPolarHBondContact O-CB 3.38Å; Q44-L48 PolarHBondContact O-N 2.86Å
45L95.3Very high92.2Very high0 Ų064 Ų640%033%0.332CS..Hα-helixtrans-58.5-50173.7-172.362.7000111.2I29 L31 L40 S41 Q47 L48 I49 L68 F71 F107I29-L45 HydrophobicContact CD1-CD2 4.37Å; L31-L45 HydrophobicContact CD2-CD1 4.02Å; L40-L45 HydrophobicContact CD2-CB 3.44Å; L40-L45 VanDerWaalsContact CD2-CB 3.44Å; L40-L45 HydrophobicContact CD2-CD1 3.73Å; L40-L45 HydrophobicContact CD2-CG 4.12Å; S41-L45 PolarHBondContact O-N 2.87Å; L45-Q47 VanDerWaalsContact C-N 3.27Å; L45-Q47 PolarHBondContact O-N 3.02Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 PolarHBondContact O-N 3.16Å; L45-I49 HydrophobicContact CD1-CD1 4.39Å; L45-I49 HydrophobicContact CG-CD1 4.05Å; L45-I49 WeakPolarHBondContact O-CG1 3.34Å; L45-I49 PolarHBondContact O-N 3.27Å; L45-L68 HydrophobicContact CB-CD2 4.28Å; L45-L68 HydrophobicContact CD2-CD1 3.99Å; L45-L68 HydrophobicContact CD2-CD2 3.92Å; L45-L68 HydrophobicContact CG-CD2 4.45Å; L45-F71 HydrophobicContact CD2-CD1 4.44Å; L45-F71 HydrophobicContact CD2-CD2 3.41Å; L45-F71 VanDerWaalsContact CD2-CD2 3.41Å; L45-F71 HydrophobicContact CD2-CE1 4.46Å; L45-F71 HydrophobicContact CD2-CE2 3.5Å; L45-F71 HydrophobicContact CD2-CG 3.92Å; L45-F71 HydrophobicContact CD2-CZ 4.04Å; L45-F107 HydrophobicContact CD1-CE1 3.8Å; L45-F107 HydrophobicContact CD1-CZ 3.79Å
46K95.9Very high92.6Very high86 Ų8664.6 Ų64.637%0.37434%0.335SS..Hα-helixtrans-59.9-43.6-179.7-171.1170.2-173.3173.40110.5A42 A43 L48 I49 V50 F66A42-K46 PolarHBondContact O-N 3.09Å; A43-K46 PolarHBondContact O-N 3.26Å; K46-L48 PolarHBondContact O-N 3.22Å; K46-I49 PolarHBondContact O-N 2.89Å; K46-V50 VanDerWaalsContact O-CG2 3.28Å; K46-V50 WeakPolarHBondContact O-CG2 3.35Å; K46-V50 PolarHBondContact O-N 2.74Å; K46-F66 HydrophobicContact CG-CE2 4.34Å; K46-F66 HydrophobicContact CG-CZ 4.11Å
47Q95.4Very high93.5Very high128 Ų12859.6 Ų59.660%0.59831%0.308SS*.Hα-helixtrans-65.7-37.7178.7-171.466.2-12.300112.8A43 Q44 L45 V50 S51A43-Q47 WeakPolarHBondContact O-CB 3.44Å; A43-Q47 PolarHBondContact O-N 3.42Å; Q44-Q47 PolarHBondContact O-N 3.31Å; L45-Q47 VanDerWaalsContact C-N 3.27Å; L45-Q47 PolarHBondContact O-N 3.02Å; Q47-V50 PolarHBondContact O-N 3.43Å; Q47-S51 PolarHBondContact O-N 2.83Å; Q47-S51 PolarHBondContact O-OG 3.08Å
48L95.4Very high94.2Very high11 Ų1157.1 Ų57.16%0.05830%0.297CS..Hα-helixtrans-60.9-47.3174.7-178.757.9000111.1L40 Q44 L45 K46 V50 S51 G52 L97 Y100 F107L40-L48 HydrophobicContact CD1-CD2 4.42Å; Q44-L48 WeakPolarHBondContact O-CB 3.38Å; Q44-L48 PolarHBondContact O-N 2.86Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 PolarHBondContact O-N 3.16Å; K46-L48 PolarHBondContact O-N 3.22Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 3.44Å; L48-S51 PolarHBondContact O-N 3.23Å; L48-S51 PolarHBondContact O-OG 2.82Å; L48-G52 PolarHBondContact O-N 2.83Å; L48-L97 HydrophobicContact CD1-CD1 4.1Å; L48-L97 HydrophobicContact CD1-CD2 3.65Å; L48-L97 HydrophobicContact CD1-CG 4.41Å; L48-L97 HydrophobicContact CD2-CD2 4.18Å; L48-L97 HydrophobicContact CG-CD1 3.88Å; L48-L97 HydrophobicContact CG-CD2 3.89Å; L48-L97 VanDerWaalsContact O-CD1 3.26Å; L48-L97 WeakPolarHBondContact O-CD1 3.46Å; L48-Y100 HydrophobicContact CB-CD2 4.47Å; L48-Y100 HydrophobicContact CD1-CD2 3.76Å; L48-Y100 HydrophobicContact CD2-CD2 3.79Å; L48-Y100 HydrophobicContact CD2-CG 4.16Å; L48-Y100 HydrophobicContact CG-CD2 4.21Å; L48-F107 HydrophobicContact CD2-CE2 4.14Å; L48-F107 HydrophobicContact CD2-CZ 4.09Å
49I96.4Very high94.8Very high2 Ų262.8 Ų62.81%0.0132%0.322CS..Hα-helixtrans-64.7-40.1178.3-61.9168.6000110.6I29 L45 K46 S51 G52 L53 F66 L80 L90 L94 F107I29-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CD1-CD1 4.39Å; L45-I49 HydrophobicContact CG-CD1 4.05Å; L45-I49 WeakPolarHBondContact O-CG1 3.34Å; L45-I49 PolarHBondContact O-N 3.27Å; K46-I49 PolarHBondContact O-N 2.89Å; I49-S51 VanDerWaalsContact C-N 3.34Å; I49-S51 PolarHBondContact O-N 3.38Å; I49-G52 PolarHBondContact O-N 3.32Å; I49-L53 HydrophobicContact CG2-CD1 4.1Å; I49-L53 WeakPolarHBondContact O-CB 3.14Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 2.86Å; I49-F66 HydrophobicContact CB-CE2 4.19Å; I49-F66 HydrophobicContact CB-CZ 3.76Å; I49-F66 HydrophobicContact CD1-CE2 4.3Å; I49-F66 HydrophobicContact CG2-CE1 4Å; I49-F66 HydrophobicContact CG2-CE2 3.8Å; I49-F66 HydrophobicContact CG2-CZ 3.44Å; I49-F66 VanDerWaalsContact CG2-CZ 3.44Å; I49-L80 HydrophobicContact CD1-CD1 3.97Å; I49-L80 HydrophobicContact CD1-CD2 3.94Å; I49-L90 HydrophobicContact CG2-CD1 3.72Å; I49-L94 HydrophobicContact CD1-CD2 4.1Å; I49-L94 HydrophobicContact CG1-CD2 3.8Å; I49-L94 HydrophobicContact CG2-CD2 4.12Å; I49-F107 HydrophobicContact CD1-CE1 4.43Å; I49-F107 HydrophobicContact CD1-CZ 4.48Å; I49-F107 HydrophobicContact CG1-CE1 4.39Å; I49-F107 HydrophobicContact CG1-CZ 3.99Å
50V96.8Very high95.3Very high35 Ų3558.1 Ų58.121%0.21232%0.318CS..Hα-helixtrans-60.2-42.1174.1167.50000111.4K46 Q47 L48 L53 R54 F66K46-V50 VanDerWaalsContact O-CG2 3.28Å; K46-V50 WeakPolarHBondContact O-CG2 3.35Å; K46-V50 PolarHBondContact O-N 2.74Å; Q47-V50 PolarHBondContact O-N 3.43Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 3.44Å; V50-L53 PolarHBondContact O-N 2.8Å; V50-R54 WeakPolarHBondContact O-CB 3.46Å; V50-R54 PolarHBondContact O-N 3.5Å; V50-F66 HydrophobicContact CG2-CE1 3.81Å; V50-F66 HydrophobicContact CG2-CZ 4.01Å
51S95.1Very high95.3Very high31 Ų3158.4 Ų58.422%0.21732%0.322CS..Hα-helixtrans-65.9-44.2176.764.50000111.6Q47 L48 I49 L53 R54 D55Q47-S51 PolarHBondContact O-N 2.83Å; Q47-S51 PolarHBondContact O-OG 3.08Å; L48-S51 PolarHBondContact O-N 3.23Å; L48-S51 PolarHBondContact O-OG 2.82Å; I49-S51 VanDerWaalsContact C-N 3.34Å; I49-S51 PolarHBondContact O-N 3.38Å; S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 2.94Å; S51-R54 CarbonylContact O-C 3.43Å; S51-R54 WeakPolarHBondContact O-CB 3.35Å; S51-R54 PolarHBondContact O-N 2.84Å; S51-R54 VanDerWaalsContact O-N 3.09Å; S51-D55 WeakPolarHBondContact O-CB 3.22Å; S51-D55 PolarHBondContact O-N 3.36Å
52G95.3Very high95.3Very high8 Ų857.3 Ų57.38%0.08232%0.316CS..Hα-helixtrans-63-38176.500000113.4L48 I49 R54 D55 L56L48-G52 PolarHBondContact O-N 2.83Å; I49-G52 PolarHBondContact O-N 3.32Å; G52-R54 VanDerWaalsContact C-N 3.34Å; G52-D55 PolarHBondContact O-N 2.88Å; G52-L56 WeakPolarHBondContact O-CB 3.34Å; G52-L56 PolarHBondContact O-N 2.85Å; G52-L56 VanDerWaalsContact O-N 3.09Å
53L96.4Very high95.2Very high1 Ų159.3 Ų59.31%0.00533%0.333CS..Hα-helixtrans-63.1-41.2171.9-80.5166.1000111.9I49 V50 S51 Y57 G61 F64 F66 L90 A93I49-L53 HydrophobicContact CG2-CD1 4.1Å; I49-L53 WeakPolarHBondContact O-CB 3.14Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 2.86Å; V50-L53 PolarHBondContact O-N 2.8Å; S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 2.94Å; L53-Y57 HydrophobicContact CD2-CD2 4.22Å; L53-Y57 WeakPolarHBondContact O-CB 3.4Å; L53-Y57 PolarHBondContact O-N 2.86Å; L53-G61 WeakPolarHBondContact CB-O 3.45Å; L53-F64 HydrophobicContact CD1-CB 4.38Å; L53-F64 HydrophobicContact CD1-CD1 3.96Å; L53-F64 HydrophobicContact CD2-CD1 4.32Å; L53-F66 HydrophobicContact CD1-CD1 3.8Å; L53-F66 HydrophobicContact CD1-CE1 3.59Å; L53-F66 HydrophobicContact CD1-CZ 4.49Å; L53-L90 HydrophobicContact CD1-CD1 4.03Å; L53-L90 HydrophobicContact CD2-CD1 4.46Å; L53-L90 HydrophobicContact CG-CD1 4.47Å; L53-A93 HydrophobicContact CD2-CB 3.66Å; L53-A93 HydrophobicContact CG-CB 3.94Å
54R96.8Very high95Very high107 Ų10757.3 Ų57.340%0.40431%0.31SS..Hα-helixtrans-66.2-41.6176.4-177.2-173.664-179.2-1.4112V50 S51 G52 L56 G58 E59V50-R54 WeakPolarHBondContact O-CB 3.46Å; V50-R54 PolarHBondContact O-N 3.5Å; S51-R54 CarbonylContact O-C 3.43Å; S51-R54 WeakPolarHBondContact O-CB 3.35Å; S51-R54 PolarHBondContact O-N 2.84Å; S51-R54 VanDerWaalsContact O-N 3.09Å; G52-R54 VanDerWaalsContact C-N 3.34Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 3.03Å; R54-G58 WeakPolarHBondContact CA-O 3.47Å; R54-G58 CarbonylContact O-C 3.47Å; R54-G58 WeakPolarHBondContact O-CA 3.22Å; R54-G58 PolarHBondContact O-N 3.02Å; R54-E59 WeakPolarHBondContact CD-OE1 3.27Å
55D95.2Very high95Very high121 Ų12157.4 Ų57.465%0.64732%0.318SS*.Hα-helixtrans-68.5-34.9-177.2-62.1-15.7000110.9S51 G52S51-D55 WeakPolarHBondContact O-CB 3.22Å; S51-D55 PolarHBondContact O-N 3.36Å; G52-D55 PolarHBondContact O-N 2.88Å
56L96.3Very high95.1Very high67 Ų6757.8 Ų57.835%0.35132%0.319SS..Hα-helixtrans-84.4-38.2178.6-174.359000114G52 R54 A93 L96G52-L56 WeakPolarHBondContact O-CB 3.34Å; G52-L56 PolarHBondContact O-N 2.85Å; G52-L56 VanDerWaalsContact O-N 3.09Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 3.03Å; L56-A93 HydrophobicContact CD2-CB 4.12Å; L56-L96 HydrophobicContact CD1-CD1 3.7Å; L56-L96 HydrophobicContact CD2-CD1 3.95Å; L56-L96 HydrophobicContact CG-CD1 4.47Å
57Y95.7Very high95.1Very high92 Ų9256.4 Ų56.436%0.36132%0.316SS..Hα-helixtrans-119.47.8-170.7-64.8-67.7000114.4L53 K89 S92L53-Y57 HydrophobicContact CD2-CD2 4.22Å; L53-Y57 WeakPolarHBondContact O-CB 3.4Å; L53-Y57 PolarHBondContact O-N 2.86Å; Y57-K89 HydrophobicContact CD2-CB 4.42Å; Y57-K89 HydrophobicContact CE1-CG 4.39Å; Y57-K89 HydrophobicContact CE2-CB 3.79Å; Y57-K89 HydrophobicContact CE2-CG 4.27Å; Y57-K89 VanDerWaalsContact CE2-O 3.3Å; Y57-K89 WeakPolarHBondContact CE2-O 3.28Å; Y57-S92 PolarHBondContact OH-OG 3.13Å
58G96.2Very high95.2Very high36 Ų3652 Ų5237%0.37130%0.296SS..Hα-helixtrans74.4-172.6-177.700000113.7R54 V60 G61 G62R54-G58 WeakPolarHBondContact CA-O 3.47Å; R54-G58 CarbonylContact O-C 3.47Å; R54-G58 WeakPolarHBondContact O-CA 3.22Å; R54-G58 PolarHBondContact O-N 3.02Å; G58-V60 PolarHBondContact O-N 3.39Å; G58-G61 VanDerWaalsContact O-CA 3.26Å; G58-G61 WeakPolarHBondContact O-CA 3.35Å; G58-G61 PolarHBondContact O-N 3.22Å; G58-G62 PolarHBondContact O-N 2.97Å; G58-G62 VanDerWaalsContact O-N 3.07Å
59E95.1Very high95.3Very high140 Ų14055 Ų5565%0.65431%0.312SS*.Hα-helixtrans-55.8-36.4-178.4-68-60.2154.700113.5R54 G61 G62 A63R54-E59 WeakPolarHBondContact CD-OE1 3.27Å; E59-G61 VanDerWaalsContact C-N 3.25Å; E59-G61 PolarHBondContact O-N 3.32Å; E59-G62 PolarHBondContact O-N 3.1Å; E59-G62 VanDerWaalsContact O-N 3.16Å; E59-A63 PolarHBondContact O-N 2.63Å; E59-A63 VanDerWaalsContact O-N 3.17Å
60V93.4Very high95.2Very high128 Ų12862 Ų6278%0.77634%0.342SS*.Hα-helixtrans-64.4-34.5175-177.40000111.2G58 A63G58-V60 PolarHBondContact O-N 3.39Å; V60-A63 PolarHBondContact O-N 3.43Å
61G91.9Very high95.3Very high9 Ų961.8 Ų61.89%0.09334%0.339CS..Hα-helixtrans-65.1-41.5171.500000113.2L53 G58 E59 A63 F64L53-G61 WeakPolarHBondContact CB-O 3.45Å; G58-G61 VanDerWaalsContact O-CA 3.26Å; G58-G61 WeakPolarHBondContact O-CA 3.35Å; G58-G61 PolarHBondContact O-N 3.22Å; E59-G61 VanDerWaalsContact C-N 3.25Å; E59-G61 PolarHBondContact O-N 3.32Å; G61-A63 VanDerWaalsContact C-N 3.26Å; G61-A63 PolarHBondContact O-N 2.87Å; G61-F64 WeakPolarHBondContact O-CB 3.12Å; G61-F64 PolarHBondContact O-N 3.5Å
62G92.6Very high95.3Very high14 Ų1463 Ų6314%0.14434%0.343CS..Hα-helixtrans-62.4-32.9175.700000113.2G58 E59 F64G58-G62 PolarHBondContact O-N 2.97Å; G58-G62 VanDerWaalsContact O-N 3.07Å; E59-G62 PolarHBondContact O-N 3.1Å; E59-G62 VanDerWaalsContact O-N 3.16Å; G62-F64 PolarHBondContact O-N 3.01Å
63A93.4Very high95.2Very high83 Ų8368.2 Ų68.269%0.68637%0.365SS*.THydrogen-bonded Turntrans-80.75175.100000114.2E59 V60 G61E59-A63 PolarHBondContact O-N 2.63Å; E59-A63 VanDerWaalsContact O-N 3.17Å; V60-A63 PolarHBondContact O-N 3.43Å; G61-A63 VanDerWaalsContact C-N 3.26Å; G61-A63 PolarHBondContact O-N 2.87Å
64F91.7Very high95Very high30 Ų3073 Ų7313%0.13240%0.399CS..  trans-63.2130.7-176.7173.4-94.5000111.9L53 G61 G62 F66 V82 G86 K89 L90L53-F64 HydrophobicContact CD1-CB 4.38Å; L53-F64 HydrophobicContact CD1-CD1 3.96Å; L53-F64 HydrophobicContact CD2-CD1 4.32Å; G61-F64 WeakPolarHBondContact O-CB 3.12Å; G61-F64 PolarHBondContact O-N 3.5Å; G62-F64 PolarHBondContact O-N 3.01Å; F64-F66 HydrophobicContact CD1-CB 4.36Å; F64-F66 HydrophobicContact CD1-CD1 4.13Å; F64-F66 HydrophobicContact CE1-CB 4.17Å; F64-F66 PolarHBondContact O-N 3.46Å; F64-V82 HydrophobicContact CE1-CG2 3.46Å; F64-V82 VanDerWaalsContact CE1-CG2 3.46Å; F64-V82 HydrophobicContact CZ-CG2 3.35Å; F64-G86 VanDerWaalsContact CZ-O 3.31Å; F64-G86 WeakPolarHBondContact CZ-O 3.43Å; F64-K89 HydrophobicContact CE2-CB 4.47Å; F64-K89 HydrophobicContact CE2-CD 4.31Å; F64-L90 HydrophobicContact CE1-CB 4.2Å
65P94.1Very high94.8Very high76 Ų7671.3 Ų71.349%0.49440%0.4SS..  trans-77.7110.4-173.829.7-34.3000111.9Y83P65-Y83 HydrophobicContact CB-CD2 4.43Å; P65-Y83 HydrophobicContact CB-CE2 4.25Å; P65-Y83 HydrophobicContact CG-CD2 4.06Å; P65-Y83 HydrophobicContact CG-CE2 4.21Å
66F97.2Very high94.7Very high9 Ų966.9 Ų66.94%0.03938%0.376CS..EExtended strand (participates in β ladder)trans-144156.3167.277.9-81.8000110.6K46 I49 V50 L53 F64 L80 R81 L90K46-F66 HydrophobicContact CG-CE2 4.34Å; K46-F66 HydrophobicContact CG-CZ 4.11Å; I49-F66 HydrophobicContact CB-CE2 4.19Å; I49-F66 HydrophobicContact CB-CZ 3.76Å; I49-F66 HydrophobicContact CD1-CE2 4.3Å; I49-F66 HydrophobicContact CG2-CE1 4Å; I49-F66 HydrophobicContact CG2-CE2 3.8Å; I49-F66 HydrophobicContact CG2-CZ 3.44Å; I49-F66 VanDerWaalsContact CG2-CZ 3.44Å; V50-F66 HydrophobicContact CG2-CE1 3.81Å; V50-F66 HydrophobicContact CG2-CZ 4.01Å; L53-F66 HydrophobicContact CD1-CD1 3.8Å; L53-F66 HydrophobicContact CD1-CE1 3.59Å; L53-F66 HydrophobicContact CD1-CZ 4.49Å; F64-F66 HydrophobicContact CD1-CB 4.36Å; F64-F66 HydrophobicContact CD1-CD1 4.13Å; F64-F66 HydrophobicContact CE1-CB 4.17Å; F64-F66 PolarHBondContact O-N 3.46Å; F66-L80 HydrophobicContact CD2-CD2 4.07Å; F66-L80 HydrophobicContact CE2-CD2 4.06Å; F66-R81 WeakPolarHBondContact CA-O 3.28Å; F66-R81 WeakPolarHBondContact CB-O 3.26Å; F66-L90 HydrophobicContact CB-CD2 4.31Å; F66-L90 HydrophobicContact CG-CD1 4.33Å
67D96.9Very high94.7Very high57 Ų5766.1 Ų66.131%0.30538%0.375SS..EExtended strand (participates in β ladder)trans-121.3142179.7-55.9-58.1000111.2L69 L80 R81D67-L69 HydrophobicContact CB-CD2 4.14Å; D67-L80 CarbonylContact O-C 3.52Å; D67-L80 VanDerWaalsContact O-CA 3.28Å; D67-L80 WeakPolarHBondContact O-CA 3.28Å; D67-R81 HydrophobicContact CB-CB 4.33Å; D67-R81 PolarHBondContact N-O 2.9Å; D67-R81 PolarHBondContact O-N 3.44Å; D67-R81 IonicContact OD2-CZ 3.25Å; D67-R81 VanDerWaalsContact OD2-CZ 3.25Å; D67-R81 IonicContact OD2-NE 3.01Å; D67-R81 PolarHBondContact OD2-NE 2.91Å; D67-R81 IonicContact OD2-NH2 2.67Å; D67-R81 PolarHBondContact OD2-NH2 3.34Å
68L97.4Very high94.8Very high35 Ų3562 Ų6218%0.18336%0.359CS..EExtended strand (participates in β ladder)trans-96106.5166.717864.3000107.4A42 L45 F71 L80A42-L68 HydrophobicContact CB-CD2 4.05Å; A42-L68 WeakPolarHBondContact O-CD2 3.44Å; L45-L68 HydrophobicContact CB-CD2 4.28Å; L45-L68 HydrophobicContact CD2-CD1 3.99Å; L45-L68 HydrophobicContact CD2-CD2 3.92Å; L45-L68 HydrophobicContact CG-CD2 4.45Å; L68-F71 HydrophobicContact CD1-CB 4.22Å; L68-F71 HydrophobicContact CD2-CB 4.01Å; L68-F71 HydrophobicContact CG-CB 4.28Å; L68-L80 HydrophobicContact CB-CD2 4.16Å; L68-L80 HydrophobicContact CD1-CD2 3.66Å
69L97.1Very high94.8Very high75 Ų7561.3 Ų61.339%0.39335%0.348SS..EExtended strand (participates in β ladder)trans-81.9-41.3-173.1-60.8-175.7000112.7Y26 D67 V79 R81 L116Y26-L69 HydrophobicContact CD1-CD1 3.72Å; Y26-L69 HydrophobicContact CE1-CD1 3.73Å; D67-L69 HydrophobicContact CB-CD2 4.14Å; L69-V79 HydrophobicContact CB-CB 4.48Å; L69-V79 HydrophobicContact CD1-CG1 4.19Å; L69-V79 PolarHBondContact N-O 2.93Å; L69-R81 HydrophobicContact CD1-CB 4.01Å; L69-R81 HydrophobicContact CD2-CB 4.18Å; L69-R81 HydrophobicContact CG-CB 4.04Å; L69-L116 HydrophobicContact CD1-CD1 4.15Å; L69-L116 HydrophobicContact CD1-CD2 4.16Å
70K95.7Very high95Very high148 Ų14854.7 Ų54.764%0.64332%0.317SS*.EExtended strand (participates in β ladder)trans-144.6139.5179.1-175.3175.2178.7-178.70107.9G78 V79K70-G78 CarbonylContact O-C 3.52Å; K70-G78 WeakPolarHBondContact O-CA 3.35Å; K70-V79 PolarHBondContact O-N 2.8Å
71F97.1Very high95.2Very high31 Ų3152.1 Ų52.114%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-139.8129.2169.9-177.5-122.5000108.5L40 A42 L45 L68 E73 L76 T77L40-F71 HydrophobicContact CD2-CE1 3.99Å; L40-F71 HydrophobicContact CD2-CZ 3.76Å; L40-F71 VanDerWaalsContact O-CE1 3.31Å; L40-F71 WeakPolarHBondContact O-CE1 3.34Å; A42-F71 HydrophobicContact CB-CB 4.2Å; A42-F71 HydrophobicContact CB-CD1 3.96Å; L45-F71 HydrophobicContact CD2-CD1 4.44Å; L45-F71 HydrophobicContact CD2-CD2 3.41Å; L45-F71 VanDerWaalsContact CD2-CD2 3.41Å; L45-F71 HydrophobicContact CD2-CE1 4.46Å; L45-F71 HydrophobicContact CD2-CE2 3.5Å; L45-F71 HydrophobicContact CD2-CG 3.92Å; L45-F71 HydrophobicContact CD2-CZ 4.04Å; L68-F71 HydrophobicContact CD1-CB 4.22Å; L68-F71 HydrophobicContact CD2-CB 4.01Å; L68-F71 HydrophobicContact CG-CB 4.28Å; F71-E73 HydrophobicContact CD1-CG 3.87Å; F71-E73 HydrophobicContact CE1-CB 4.41Å; F71-E73 HydrophobicContact CE1-CG 3.77Å; F71-L76 HydrophobicContact CZ-CD2 3.9Å; F71-T77 WeakPolarHBondContact CA-O 3.42Å; F71-T77 WeakPolarHBondContact CD2-O 3.48Å
72D95.3Very high95.5Very high57 Ų5751.8 Ų51.831%0.30529%0.29SS..EExtended strand (participates in β ladder)trans-105110.1172.5175.611.5000108.1S74 T75 L76 T77D72-S74 VanDerWaalsContact CG-OG 3.28Å; D72-S74 PolarHBondContact O-N 3.07Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 3.41Å; D72-S74 PolarHBondContact OD1-OG 3.47Å; D72-S74 PolarHBondContact OD2-OG 3.21Å; D72-T75 VanDerWaalsContact CG-OG1 3.26Å; D72-T75 WeakPolarHBondContact OD2-CG2 3.46Å; D72-T75 PolarHBondContact OD2-OG1 3.46Å; D72-L76 VanDerWaalsContact O-CA 3.27Å; D72-L76 WeakPolarHBondContact O-CA 3.37Å; D72-L76 PolarHBondContact O-N 3.01Å; D72-T77 PolarHBondContact N-O 2.93Å; D72-T77 PolarHBondContact O-N 3.39Å
73E93.6Very high95.6Very high117 Ų11755.5 Ų55.555%0.54730%0.3SS..THydrogen-bonded Turntrans-67.8-23.4-177.9-57.6-173.6172.900112.1S41 F71S41-E73 WeakPolarHBondContact CA-OE1 3.44Å; F71-E73 HydrophobicContact CD1-CG 3.87Å; F71-E73 HydrophobicContact CE1-CB 4.41Å; F71-E73 HydrophobicContact CE1-CG 3.77Å
74S91.6Very high95.6Very high101 Ų10154.4 Ų54.471%0.70628%0.283SS*.THydrogen-bonded Turntrans-76-38.5-179.269.10000112.7D72D72-S74 VanDerWaalsContact CG-OG 3.28Å; D72-S74 PolarHBondContact O-N 3.07Å; D72-S74 WeakPolarHBondContact OD1-CB 3.37Å; D72-S74 PolarHBondContact OD1-N 3.41Å; D72-S74 PolarHBondContact OD1-OG 3.47Å; D72-S74 PolarHBondContact OD2-OG 3.21Å
75T92.7Very high95.6Very high71 Ų7158.2 Ų58.244%0.43631%0.313SS..THydrogen-bonded Turntrans-101.4-5.117958.70000113D72 T77D72-T75 VanDerWaalsContact CG-OG1 3.26Å; D72-T75 WeakPolarHBondContact OD2-CG2 3.46Å; D72-T75 PolarHBondContact OD2-OG1 3.46Å; T75-T77 PolarHBondContact O-N 2.87Å; T75-T77 PolarHBondContact OG1-OG1 2.86Å
76L94.7Very high95.6Very high29 Ų2954.7 Ų54.715%0.15229%0.29CS..THydrogen-bonded Turntrans52.933.4-172-59.2177000112.7L31 L33 L40 F71 D72L31-L76 HydrophobicContact CB-CB 4.2Å; L31-L76 PolarHBondContact N-O 2.92Å; L31-L76 WeakPolarHBondContact O-CB 3.31Å; L33-L76 HydrophobicContact CD1-CD1 3.72Å; L33-L76 HydrophobicContact CG-CD1 4.03Å; L40-L76 HydrophobicContact CB-CD2 4.37Å; F71-L76 HydrophobicContact CZ-CD2 3.9Å; D72-L76 VanDerWaalsContact O-CA 3.27Å; D72-L76 WeakPolarHBondContact O-CA 3.37Å; D72-L76 PolarHBondContact O-N 3.01Å
77T95.7Very high95.6Very high51 Ų5155.5 Ų55.531%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-103.8143.8177.663.10000111.2I29 F71 D72 T75I29-T77 CarbonylContact O-C 3.55Å; I29-T77 VanDerWaalsContact O-CA 3.27Å; I29-T77 WeakPolarHBondContact O-CA 3.28Å; F71-T77 WeakPolarHBondContact CA-O 3.42Å; F71-T77 WeakPolarHBondContact CD2-O 3.48Å; D72-T77 PolarHBondContact N-O 2.93Å; D72-T77 PolarHBondContact O-N 3.39Å; T75-T77 PolarHBondContact O-N 2.87Å; T75-T77 PolarHBondContact OG1-OG1 2.86Å
78G96.8Very high95.5Very high4 Ų458.2 Ų58.24%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-146.6166.8-178.600000113.7R28 I29 K70R28-G78 WeakPolarHBondContact CA-O 3.39Å; I29-G78 WeakPolarHBondContact CG1-O 3.28Å; I29-G78 PolarHBondContact N-O 2.86Å; I29-G78 PolarHBondContact O-N 2.93Å; K70-G78 CarbonylContact O-C 3.52Å; K70-G78 WeakPolarHBondContact O-CA 3.35Å
79V97.9Very high95.4Very high23 Ų2361.3 Ų61.314%0.13933%0.325CS..EExtended strand (participates in β ladder)trans-121.8117.8173.2-179.10000109.1M27 L69 K70 L116 L119M27-V79 CarbonylContact O-C 3.59Å; M27-V79 WeakPolarHBondContact O-CA 3.22Å; L69-V79 HydrophobicContact CB-CB 4.48Å; L69-V79 HydrophobicContact CD1-CG1 4.19Å; L69-V79 PolarHBondContact N-O 2.93Å; K70-V79 PolarHBondContact O-N 2.8Å; V79-L116 HydrophobicContact CG1-CD2 3.98Å; V79-L119 HydrophobicContact CG1-CD2 3.74Å; V79-L119 HydrophobicContact CG2-CD2 4.3Å
80L98.1Very high95.4Very high0 Ų057.7 Ų57.70%031%0.306CS..EExtended strand (participates in β ladder)trans-97.1143.7173.9-58.5176.2000110.2Y26 M27 I29 I49 F66 D67 L68 L90 L94Y26-L80 CarbonylContact C-O 3.59Å; Y26-L80 WeakPolarHBondContact CA-O 3.48Å; M27-L80 HydrophobicContact CB-CB 4.43Å; M27-L80 PolarHBondContact N-O 3.33Å; M27-L80 PolarHBondContact O-N 2.96Å; I29-L80 HydrophobicContact CD1-CD1 3.81Å; I29-L80 HydrophobicContact CD1-CD2 4.35Å; I29-L80 HydrophobicContact CD1-CG 3.94Å; I29-L80 HydrophobicContact CG1-CD1 4.4Å; I29-L80 HydrophobicContact CG1-CG 4.28Å; I29-L80 HydrophobicContact CG2-CD1 4.13Å; I49-L80 HydrophobicContact CD1-CD1 3.97Å; I49-L80 HydrophobicContact CD1-CD2 3.94Å; F66-L80 HydrophobicContact CD2-CD2 4.07Å; F66-L80 HydrophobicContact CE2-CD2 4.06Å; D67-L80 CarbonylContact O-C 3.52Å; D67-L80 VanDerWaalsContact O-CA 3.28Å; D67-L80 WeakPolarHBondContact O-CA 3.28Å; L68-L80 HydrophobicContact CB-CD2 4.16Å; L68-L80 HydrophobicContact CD1-CD2 3.66Å; L80-L90 HydrophobicContact CB-CD2 4.27Å; L80-L90 HydrophobicContact CD1-CD2 4.04Å; L80-L90 HydrophobicContact CD1-CG 4.47Å; L80-L94 HydrophobicContact CD1-CD1 3.88Å
81R97.9Very high95.5Very high74 Ų7456 Ų5628%0.27930%0.296SS..EExtended strand (participates in β ladder)trans-114.8135.3168.6177.1178.569-177.31.8109.3Y24 H25 Y26 F66 D67 L69Y24-R81 HydrophobicContact CD1-CG 3.72Å; Y24-R81 HydrophobicContact CE1-CG 4.44Å; Y24-R81 HydrophobicContact CG-CG 4.02Å; H25-R81 WeakPolarHBondContact O-CA 3.27Å; Y26-R81 HydrophobicContact CD1-CB 3.88Å; Y26-R81 HydrophobicContact CD1-CG 4.05Å; Y26-R81 HydrophobicContact CE1-CB 3.9Å; Y26-R81 HydrophobicContact CE1-CG 3.67Å; F66-R81 WeakPolarHBondContact CA-O 3.28Å; F66-R81 WeakPolarHBondContact CB-O 3.26Å; D67-R81 HydrophobicContact CB-CB 4.33Å; D67-R81 PolarHBondContact N-O 2.9Å; D67-R81 PolarHBondContact O-N 3.44Å; D67-R81 IonicContact OD2-CZ 3.25Å; D67-R81 VanDerWaalsContact OD2-CZ 3.25Å; D67-R81 IonicContact OD2-NE 3.01Å; D67-R81 PolarHBondContact OD2-NE 2.91Å; D67-R81 IonicContact OD2-NH2 2.67Å; D67-R81 PolarHBondContact OD2-NH2 3.34Å; L69-R81 HydrophobicContact CD1-CB 4.01Å; L69-R81 HydrophobicContact CD2-CB 4.18Å; L69-R81 HydrophobicContact CG-CB 4.04Å
82V97.3Very high95.5Very high2 Ų256 Ų561%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-143.5151.8178.666.80000110.5Y24 H25 F64 L87 L90Y24-V82 CarbonylContact C-O 3.58Å; Y24-V82 VanDerWaalsContact CA-O 3.28Å; Y24-V82 WeakPolarHBondContact CA-O 3.43Å; H25-V82 HydrophobicContact CB-CG1 4.27Å; H25-V82 PolarHBondContact N-O 3.27Å; H25-V82 PolarHBondContact O-N 2.69Å; F64-V82 HydrophobicContact CE1-CG2 3.46Å; F64-V82 VanDerWaalsContact CE1-CG2 3.46Å; F64-V82 HydrophobicContact CZ-CG2 3.35Å; V82-L87 HydrophobicContact CG1-CB 4.24Å; V82-L87 HydrophobicContact CG1-CD1 4Å; V82-L90 HydrophobicContact CB-CD2 3.87Å; V82-L90 HydrophobicContact CG1-CD2 4.14Å; V82-L90 HydrophobicContact CG2-CB 4.43Å; V82-L90 HydrophobicContact CG2-CD2 4.17Å
83Y96.3Very high95.5Very high93 Ų9353.5 Ų53.537%0.36529%0.287SS..EExtended strand (participates in β ladder)trans-62.7150.2169-71.9-77.9000111V23 Y24 P65 S85 G86 L87V23-Y83 HydrophobicContact CG1-CD1 3.64Å; V23-Y83 HydrophobicContact CG1-CE1 3.69Å; V23-Y83 WeakPolarHBondContact O-CA 3.21Å; Y24-Y83 HydrophobicContact CD1-CD1 4.03Å; Y24-Y83 HydrophobicContact CD1-CE1 4.19Å; Y24-Y83 HydrophobicContact CD1-CG 4.37Å; Y24-Y83 AromaticContact CE1-CD1 3.56Å; Y24-Y83 HydrophobicContact CE1-CD1 3.56Å; Y24-Y83 HydrophobicContact CE1-CD2 4.25Å; Y24-Y83 AromaticContact CE1-CE1 3.28Å; Y24-Y83 HydrophobicContact CE1-CE1 3.28Å; Y24-Y83 HydrophobicContact CE1-CE2 4.01Å; Y24-Y83 HydrophobicContact CE1-CG 4.04Å; Y24-Y83 AromaticContact CE1-CZ 3.52Å; Y24-Y83 AromaticContact CZ-CE1 3.49Å; Y24-Y83 VanDerWaalsContact CZ-CE1 3.49Å; Y24-Y83 AromaticContact CZ-CZ 3.82Å; Y24-Y83 WeakPolarHBondContact OH-CE1 3.41Å; Y24-Y83 PolarHBondContact OH-OH 3.3Å; P65-Y83 HydrophobicContact CB-CD2 4.43Å; P65-Y83 HydrophobicContact CB-CE2 4.25Å; P65-Y83 HydrophobicContact CG-CD2 4.06Å; P65-Y83 HydrophobicContact CG-CE2 4.21Å; Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 2.97Å; Y83-G86 WeakPolarHBondContact O-CA 3.46Å; Y83-G86 PolarHBondContact O-N 2.79Å; Y83-L87 PolarHBondContact O-N 3.48Å
84N92.9Very high95.7Very high60 Ų6048 Ų4832%0.32126%0.261SS..G310 helixtrans-52-44.6178.9-171.72000112.8V23 H25 G86 L87V23-N84 PolarHBondContact O-N 3.36Å; H25-N84 PolarHBondContact CE1-OD1 2.87Å; H25-N84 VanDerWaalsContact CE1-OD1 3.27Å; N84-G86 PolarHBondContact O-N 3.49Å; N84-L87 PolarHBondContact O-N 3.34Å
85S92.6Very high95.8Very high110 Ų11047.6 Ų47.677%0.76926%0.255SS*.G310 helixtrans-60.6-17.9177.255.80000114.5Y83Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 2.97Å
86G93.8Very high95.9Very high1 Ų150 Ų501%0.0127%0.265CS..G310 helixtrans-106.8-10.6-17100000115F64 Y83 N84 V88 K89 L90F64-G86 VanDerWaalsContact CZ-O 3.31Å; F64-G86 WeakPolarHBondContact CZ-O 3.43Å; Y83-G86 WeakPolarHBondContact O-CA 3.46Å; Y83-G86 PolarHBondContact O-N 2.79Å; N84-G86 PolarHBondContact O-N 3.49Å; G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.34Å; G86-K89 PolarHBondContact O-N 3.47Å; G86-L90 PolarHBondContact O-N 3.02Å
87L95.8Very high95.8Very high27 Ų2749.4 Ų49.414%0.14126%0.261CS..Hα-helixtrans-54.4-47.3-175.5178.564.1000112.5H25 M27 V82 Y83 N84 K89 L90 W91 V112H25-L87 HydrophobicContact CB-CD1 3.97Å; H25-L87 HydrophobicContact CB-CD2 4.2Å; H25-L87 HydrophobicContact CB-CG 4.49Å; M27-L87 HydrophobicContact CE-CD1 4.35Å; M27-L87 HydrophobicContact CG-CD1 3.83Å; M27-L87 HydrophobicContact SD-CD1 3.55Å; M27-L87 VanDerWaalsContact SD-CD1 3.55Å; V82-L87 HydrophobicContact CG1-CB 4.24Å; V82-L87 HydrophobicContact CG1-CD1 4Å; Y83-L87 PolarHBondContact O-N 3.48Å; N84-L87 PolarHBondContact O-N 3.34Å; L87-K89 PolarHBondContact O-N 3.21Å; L87-L90 PolarHBondContact O-N 2.87Å; L87-W91 WeakPolarHBondContact O-CB 3.42Å; L87-W91 PolarHBondContact O-N 2.67Å; L87-V112 HydrophobicContact CD1-CG1 4.06Å; L87-V112 HydrophobicContact CD2-CG1 4.36Å
88V95.7Very high95.6Very high113 Ų11348.2 Ų48.269%0.68526%0.259SS*.Hα-helixtrans-65.4-40.1-177.5-179.50000111.5G86 W91 S92G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.34Å; V88-W91 PolarHBondContact O-N 2.82Å; V88-S92 WeakPolarHBondContact O-CB 3.49Å; V88-S92 PolarHBondContact O-N 2.99Å; V88-S92 PolarHBondContact O-OG 3.29Å
89K95.8Very high95.3Very high100 Ų10054.5 Ų54.544%0.43529%0.286SS..Hα-helixtrans-67.4-41.2179.2-64.4-177.4-178.3-178.90111.9Y57 F64 G86 L87 S92 A93Y57-K89 HydrophobicContact CD2-CB 4.42Å; Y57-K89 HydrophobicContact CE1-CG 4.39Å; Y57-K89 HydrophobicContact CE2-CB 3.79Å; Y57-K89 HydrophobicContact CE2-CG 4.27Å; Y57-K89 VanDerWaalsContact CE2-O 3.3Å; Y57-K89 WeakPolarHBondContact CE2-O 3.28Å; F64-K89 HydrophobicContact CE2-CB 4.47Å; F64-K89 HydrophobicContact CE2-CD 4.31Å; G86-K89 PolarHBondContact O-N 3.47Å; L87-K89 PolarHBondContact O-N 3.21Å; K89-S92 WeakPolarHBondContact CA-OG 3.47Å; K89-S92 PolarHBondContact O-OG 3.18Å; K89-A93 WeakPolarHBondContact O-CB 3.28Å; K89-A93 PolarHBondContact O-N 3.29Å
90L97Very high94.8Very high0 Ų054.5 Ų54.50%028%0.283CS..Hα-helixtrans-65.6-45177.1-176.361.2000110.8M27 I49 L53 F64 F66 L80 V82 G86 L87 A93 L94M27-L90 HydrophobicContact SD-CD2 4.06Å; M27-L90 HydrophobicContact SD-CG 4.39Å; I49-L90 HydrophobicContact CG2-CD1 3.72Å; L53-L90 HydrophobicContact CD1-CD1 4.03Å; L53-L90 HydrophobicContact CD2-CD1 4.46Å; L53-L90 HydrophobicContact CG-CD1 4.47Å; F64-L90 HydrophobicContact CE1-CB 4.2Å; F66-L90 HydrophobicContact CB-CD2 4.31Å; F66-L90 HydrophobicContact CG-CD1 4.33Å; L80-L90 HydrophobicContact CB-CD2 4.27Å; L80-L90 HydrophobicContact CD1-CD2 4.04Å; L80-L90 HydrophobicContact CD1-CG 4.47Å; V82-L90 HydrophobicContact CB-CD2 3.87Å; V82-L90 HydrophobicContact CG1-CD2 4.14Å; V82-L90 HydrophobicContact CG2-CB 4.43Å; V82-L90 HydrophobicContact CG2-CD2 4.17Å; G86-L90 PolarHBondContact O-N 3.02Å; L87-L90 PolarHBondContact O-N 2.87Å; L90-A93 PolarHBondContact O-N 3.19Å; L90-L94 HydrophobicContact CG-CD1 4.19Å; L90-L94 VanDerWaalsContact O-CG 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 2.75Å
91W97.1Very high94.3Very high112 Ų11260.8 Ų60.842%0.42431%0.313SS..Hα-helixtrans-64.7-48.7-179.2-163.2-18.8000112.1M27 L87 V88 A93 L94 T95 V109 V112M27-W91 HydrophobicContact CE-CB 3.87Å; M27-W91 HydrophobicContact CE-CD2 3.85Å; M27-W91 HydrophobicContact CE-CE3 4.02Å; M27-W91 HydrophobicContact CE-CG 3.79Å; L87-W91 WeakPolarHBondContact O-CB 3.42Å; L87-W91 PolarHBondContact O-N 2.67Å; V88-W91 PolarHBondContact O-N 2.82Å; W91-A93 VanDerWaalsContact C-N 3.27Å; W91-A93 PolarHBondContact O-N 3.42Å; W91-L94 PolarHBondContact O-N 3.08Å; W91-L94 VanDerWaalsContact O-N 3.13Å; W91-T95 PolarHBondContact O-N 2.93Å; W91-T95 PolarHBondContact O-OG1 3.42Å; W91-T95 VanDerWaalsContact O-OG1 3.08Å; W91-V109 HydrophobicContact CG-CG2 4.5Å; W91-V109 HydrophobicContact CZ2-CB 4.28Å; W91-V109 HydrophobicContact CZ2-CG1 4.28Å; W91-V112 HydrophobicContact CH2-CG2 4.29Å; W91-V112 HydrophobicContact CZ3-CG2 4.03Å
92S96.6Very high93.7Very high32 Ų3265 Ų6522%0.22434%0.34CS..Hα-helixtrans-56.9-41.2178540000112.5Y57 V88 K89 T95 L96Y57-S92 PolarHBondContact OH-OG 3.13Å; V88-S92 WeakPolarHBondContact O-CB 3.49Å; V88-S92 PolarHBondContact O-N 2.99Å; V88-S92 PolarHBondContact O-OG 3.29Å; K89-S92 WeakPolarHBondContact CA-OG 3.47Å; K89-S92 PolarHBondContact O-OG 3.18Å; S92-T95 PolarHBondContact O-N 3.02Å; S92-L96 WeakPolarHBondContact O-CG 3.43Å; S92-L96 PolarHBondContact O-N 3.22Å
93A96.2Very high93.3Very high3 Ų367 Ų673%0.02535%0.35CS..Hα-helixtrans-63.3-45.5175.700000111.9L53 L56 K89 L90 W91 T95 L96 L97L53-A93 HydrophobicContact CD2-CB 3.66Å; L53-A93 HydrophobicContact CG-CB 3.94Å; L56-A93 HydrophobicContact CD2-CB 4.12Å; K89-A93 WeakPolarHBondContact O-CB 3.28Å; K89-A93 PolarHBondContact O-N 3.29Å; L90-A93 PolarHBondContact O-N 3.19Å; W91-A93 VanDerWaalsContact C-N 3.27Å; W91-A93 PolarHBondContact O-N 3.42Å; A93-T95 VanDerWaalsContact C-N 3.32Å; A93-T95 PolarHBondContact O-N 3.03Å; A93-L96 PolarHBondContact O-N 3.09Å; A93-L97 WeakPolarHBondContact O-CB 3.3Å; A93-L97 PolarHBondContact O-N 3.21Å; A93-L97 VanDerWaalsContact O-N 3.07Å
94L96.5Very high93.1Very high2 Ų266.7 Ų66.71%0.0135%0.354CS..Hα-helixtrans-60.7-40.2176.6-69.5171.6000112.4M27 I29 I49 L80 L90 W91 L96 L97 F107M27-L94 HydrophobicContact CE-CD1 4.44Å; I29-L94 HydrophobicContact CG2-CD1 4.19Å; I49-L94 HydrophobicContact CD1-CD2 4.1Å; I49-L94 HydrophobicContact CG1-CD2 3.8Å; I49-L94 HydrophobicContact CG2-CD2 4.12Å; L80-L94 HydrophobicContact CD1-CD1 3.88Å; L90-L94 HydrophobicContact CG-CD1 4.19Å; L90-L94 VanDerWaalsContact O-CG 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 2.75Å; W91-L94 PolarHBondContact O-N 3.08Å; W91-L94 VanDerWaalsContact O-N 3.13Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.8Å; L94-L97 PolarHBondContact O-N 3.05Å; L94-F107 HydrophobicContact CB-CB 4.07Å; L94-F107 HydrophobicContact CB-CG 4.32Å; L94-F107 HydrophobicContact CD2-CB 4.39Å; L94-F107 HydrophobicContact CD2-CD1 3.84Å; L94-F107 HydrophobicContact CD2-CD2 3.97Å; L94-F107 HydrophobicContact CD2-CE1 4.03Å; L94-F107 HydrophobicContact CD2-CE2 4.18Å; L94-F107 HydrophobicContact CD2-CG 3.79Å; L94-F107 HydrophobicContact CD2-CZ 4.19Å
95T95.4Very high93.1Very high93 Ų9364.2 Ų64.257%0.57134%0.341SS*.Hα-helixtrans-65.9-34.7179.7-59.60000112.4W91 S92 A93W91-T95 PolarHBondContact O-N 2.93Å; W91-T95 PolarHBondContact O-OG1 3.42Å; W91-T95 VanDerWaalsContact O-OG1 3.08Å; S92-T95 PolarHBondContact O-N 3.02Å; A93-T95 VanDerWaalsContact C-N 3.32Å; A93-T95 PolarHBondContact O-N 3.03Å
96L94.8Very high93.2Very high122 Ų12264.3 Ų64.364%0.63933%0.328SS*.Hα-helixtrans-90.3-10.1-177.9-66.4177.8000113.5L56 S92 A93 L94 G98L56-L96 HydrophobicContact CD1-CD1 3.7Å; L56-L96 HydrophobicContact CD2-CD1 3.95Å; L56-L96 HydrophobicContact CG-CD1 4.47Å; S92-L96 WeakPolarHBondContact O-CG 3.43Å; S92-L96 PolarHBondContact O-N 3.22Å; A93-L96 PolarHBondContact O-N 3.09Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.8Å; L96-G98 PolarHBondContact O-N 3.43Å
97L92.8Very high93.3Very high16 Ų1665.2 Ų65.28%0.08433%0.332CS..  trans-73.7110.4177.8-152.3162000109.6L48 A93 L94 F107L48-L97 HydrophobicContact CD1-CD1 4.1Å; L48-L97 HydrophobicContact CD1-CD2 3.65Å; L48-L97 HydrophobicContact CD1-CG 4.41Å; L48-L97 HydrophobicContact CD2-CD2 4.18Å; L48-L97 HydrophobicContact CG-CD1 3.88Å; L48-L97 HydrophobicContact CG-CD2 3.89Å; L48-L97 VanDerWaalsContact O-CD1 3.26Å; L48-L97 WeakPolarHBondContact O-CD1 3.46Å; A93-L97 WeakPolarHBondContact O-CB 3.3Å; A93-L97 PolarHBondContact O-N 3.21Å; A93-L97 VanDerWaalsContact O-N 3.07Å; L94-L97 PolarHBondContact O-N 3.05Å; L97-F107 HydrophobicContact CB-CD2 4.14Å; L97-F107 HydrophobicContact CB-CE2 4.27Å; L97-F107 HydrophobicContact CD1-CE2 3.91Å; L97-F107 HydrophobicContact CD2-CE2 4.06Å; L97-F107 HydrophobicContact CG-CE2 4.29Å
98G90.3Very high93.3Very high26 Ų2670.3 Ų70.327%0.26835%0.349SS..  trans-115.1-9.2-171.800000116.2L96 C105L96-G98 PolarHBondContact O-N 3.43Å; G98-C105 CarbonylContact C-O 3.24Å; G98-C105 VanDerWaalsContact C-O 3.24Å; G98-C105 WeakPolarHBondContact CA-O 3.38Å; G98-C105 PolarHBondContact O-N 3.1Å; G98-C105 VanDerWaalsContact O-O 3.1Å
99F90.3Very high93.3Very high136 Ų13666 Ų6660%0.59632%0.323SS*.EExtended strand (participates in β ladder)trans-141.5138.6-169.7-69-83.2000112.9E103 L104 C105F99-E103 WeakPolarHBondContact CA-O 3.33Å; F99-L104 HydrophobicContact CD1-CD2 3.94Å; F99-L104 HydrophobicContact CE1-CD2 3.29Å; F99-L104 HydrophobicContact CE1-CG 4.07Å; F99-L104 HydrophobicContact CE2-CD2 4.31Å; F99-L104 HydrophobicContact CZ-CD2 3.5Å; F99-C105 VanDerWaalsContact C-SG 3.5Å; F99-C105 PolarHBondContact N-SG 3.44Å
100Y88.8Confident93.2Very high23 Ų2362.9 Ų62.99%0.0931%0.312CS..EExtended strand (participates in β ladder)trans-140126.4170178.2-106.6000109.5T38 L40 L48 N102 E103T38-Y100 HydrophobicContact CG2-CD1 4.24Å; T38-Y100 HydrophobicContact CG2-CE1 4.07Å; L40-Y100 HydrophobicContact CD1-CD1 3.98Å; L40-Y100 HydrophobicContact CD1-CD2 4.25Å; L40-Y100 HydrophobicContact CD1-CE1 3.64Å; L40-Y100 HydrophobicContact CD1-CE2 3.92Å; L40-Y100 HydrophobicContact CD1-CG 4.25Å; L48-Y100 HydrophobicContact CB-CD2 4.47Å; L48-Y100 HydrophobicContact CD1-CD2 3.76Å; L48-Y100 HydrophobicContact CD2-CD2 3.79Å; L48-Y100 HydrophobicContact CD2-CG 4.16Å; L48-Y100 HydrophobicContact CG-CD2 4.21Å; Y100-N102 PolarHBondContact O-N 3.35Å; Y100-N102 VanDerWaalsContact O-N 3.1Å; Y100-E103 PolarHBondContact N-O 3.09Å; Y100-E103 WeakPolarHBondContact O-CB 3.45Å; Y100-E103 PolarHBondContact O-N 3.45Å
101Q85.8Confident93.1Very high132 Ų13263.6 Ų63.662%0.61732%0.315SS*.THydrogen-bonded Turntrans47.838.9-179-61.9-171.626.300114.6E103Q101-E103 PolarHBondContact O-N 2.81Å
102N85.4Confident93.1Very high161 Ų16160.5 Ų60.586%0.86131%0.309SS*.THydrogen-bonded Turntrans68.114.5-178.5-153.772.3000115Y100Y100-N102 PolarHBondContact O-N 3.35Å; Y100-N102 VanDerWaalsContact O-N 3.1Å
103E88.9Confident93.1Very high44 Ų4459.7 Ų59.721%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-107.5149169.3-61.6-176155.100110.1N35 T38 F99 Y100 Q101N35-E103 VanDerWaalsContact CB-OE1 3.28Å; N35-E103 WeakPolarHBondContact CB-OE1 3.46Å; N35-E103 WeakPolarHBondContact CB-OE2 2.93Å; N35-E103 PolarHBondContact ND2-OE1 2.92Å; T38-E103 PolarHBondContact OG1-OE2 2.9Å; F99-E103 WeakPolarHBondContact CA-O 3.33Å; Y100-E103 PolarHBondContact N-O 3.09Å; Y100-E103 WeakPolarHBondContact O-CB 3.45Å; Y100-E103 PolarHBondContact O-N 3.45Å; Q101-E103 PolarHBondContact O-N 2.81Å
104L92.2Very high93.1Very high88 Ų8861.7 Ų61.746%0.46132%0.316SS..EExtended strand (participates in β ladder)trans-69.6135.5175-71.5167.5000109.9E34 F99E34-L104 HydrophobicContact CB-CB 4.24Å; E34-L104 WeakPolarHBondContact CB-O 3.34Å; E34-L104 PolarHBondContact N-O 3.45Å; E34-L104 PolarHBondContact OE2-N 3.4Å; F99-L104 HydrophobicContact CD1-CD2 3.94Å; F99-L104 HydrophobicContact CE1-CD2 3.29Å; F99-L104 HydrophobicContact CE1-CG 4.07Å; F99-L104 HydrophobicContact CE2-CD2 4.31Å; F99-L104 HydrophobicContact CZ-CD2 3.5Å
105C93.3Very high93Very high7 Ų767.1 Ų67.15%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-141155.4172.971.80000110.6L31 V32 L33 G98 F99L31-C105 HydrophobicContact CD1-CB 4.06Å; V32-C105 VanDerWaalsContact O-CA 3.28Å; V32-C105 WeakPolarHBondContact O-CA 3.49Å; L33-C105 HydrophobicContact CD2-CB 3.59Å; G98-C105 CarbonylContact C-O 3.24Å; G98-C105 VanDerWaalsContact C-O 3.24Å; G98-C105 WeakPolarHBondContact CA-O 3.38Å; G98-C105 PolarHBondContact O-N 3.1Å; G98-C105 VanDerWaalsContact O-O 3.1Å; F99-C105 VanDerWaalsContact C-SG 3.5Å; F99-C105 PolarHBondContact N-SG 3.44Å
106F94.4Very high93Very high113 Ų11366.6 Ų66.650%0.49633%0.333SS..EExtended strand (participates in β ladder)trans-144.4146.617067.1-89.4000111.5V32V32-F106 HydrophobicContact CB-CD1 3.95Å; V32-F106 HydrophobicContact CB-CD2 4.25Å; V32-F106 HydrophobicContact CB-CE1 3.47Å; V32-F106 VanDerWaalsContact CB-CE1 3.47Å; V32-F106 HydrophobicContact CB-CE2 3.81Å; V32-F106 HydrophobicContact CB-CG 4.32Å; V32-F106 HydrophobicContact CB-CZ 3.4Å; V32-F106 HydrophobicContact CG1-CD1 4.24Å; V32-F106 HydrophobicContact CG1-CE1 3.42Å; V32-F106 VanDerWaalsContact CG1-CE1 3.42Å; V32-F106 HydrophobicContact CG1-CE2 4.43Å; V32-F106 HydrophobicContact CG1-CZ 3.54Å; V32-F106 HydrophobicContact CG2-CD2 4.39Å; V32-F106 HydrophobicContact CG2-CE1 4.19Å; V32-F106 HydrophobicContact CG2-CE2 3.67Å; V32-F106 HydrophobicContact CG2-CZ 3.56Å; V32-F106 PolarHBondContact N-O 2.78Å; V32-F106 PolarHBondContact O-N 2.97Å
107F96Very high93Very high19 Ų1967.5 Ų67.58%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-91.3128.3173.8-76.7-86.3000111I29 L31 L45 L48 I49 L94 L97I29-F107 HydrophobicContact CD1-CD1 4.05Å; I29-F107 HydrophobicContact CD1-CE1 3.89Å; L31-F107 HydrophobicContact CB-CD1 4.44Å; L31-F107 HydrophobicContact CB-CE1 4.17Å; L31-F107 HydrophobicContact CD1-CD1 4.22Å; L31-F107 HydrophobicContact CD1-CD2 4.19Å; L31-F107 HydrophobicContact CD1-CE1 3.97Å; L31-F107 HydrophobicContact CD1-CE2 3.91Å; L31-F107 HydrophobicContact CD1-CG 4.35Å; L31-F107 HydrophobicContact CD1-CZ 3.82Å; L45-F107 HydrophobicContact CD1-CE1 3.8Å; L45-F107 HydrophobicContact CD1-CZ 3.79Å; L48-F107 HydrophobicContact CD2-CE2 4.14Å; L48-F107 HydrophobicContact CD2-CZ 4.09Å; I49-F107 HydrophobicContact CD1-CE1 4.43Å; I49-F107 HydrophobicContact CD1-CZ 4.48Å; I49-F107 HydrophobicContact CG1-CE1 4.39Å; I49-F107 HydrophobicContact CG1-CZ 3.99Å; L94-F107 HydrophobicContact CB-CB 4.07Å; L94-F107 HydrophobicContact CB-CG 4.32Å; L94-F107 HydrophobicContact CD2-CB 4.39Å; L94-F107 HydrophobicContact CD2-CD1 3.84Å; L94-F107 HydrophobicContact CD2-CD2 3.97Å; L94-F107 HydrophobicContact CD2-CE1 4.03Å; L94-F107 HydrophobicContact CD2-CE2 4.18Å; L94-F107 HydrophobicContact CD2-CG 3.79Å; L94-F107 HydrophobicContact CD2-CZ 4.19Å; L97-F107 HydrophobicContact CB-CD2 4.14Å; L97-F107 HydrophobicContact CB-CE2 4.27Å; L97-F107 HydrophobicContact CD1-CE2 3.91Å; L97-F107 HydrophobicContact CD2-CE2 4.06Å; L97-F107 HydrophobicContact CG-CE2 4.29Å
108R95.4Very high93Very high135 Ų13570.3 Ų70.351%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-105.6112.2168.7-168.2-179.6-168.8-161.56.1109.5I29 S30 T110 R124I29-R108 CarbonylContact C-O 3.57Å; I29-R108 WeakPolarHBondContact CA-O 3.43Å; S30-R108 PolarHBondContact N-O 2.98Å; S30-R108 PolarHBondContact O-N 3.19Å; R108-T110 PolarHBondContact O-N 3.17Å; R108-R124 VanDerWaalsContact NH2-NH1 3.17Å
109V96.2Very high93.2Very high23 Ų2369.3 Ų69.314%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-76.1113169.7-176.80000108.1M27 I29 W91 V112 R124M27-V109 HydrophobicContact CE-CB 4.48Å; M27-V109 HydrophobicContact CE-CG1 3.79Å; M27-V109 HydrophobicContact CE-CG2 3.81Å; I29-V109 HydrophobicContact CG2-CG2 4.34Å; W91-V109 HydrophobicContact CG-CG2 4.5Å; W91-V109 HydrophobicContact CZ2-CB 4.28Å; W91-V109 HydrophobicContact CZ2-CG1 4.28Å; V109-V112 HydrophobicContact CG1-CG2 3.52Å; V109-R124 PolarHBondContact O-NH2 3.39Å
110T94.6Very high93.2Very high33 Ų3366.5 Ų66.520%0.20234%0.341CS..EExtended strand (participates in β ladder)trans-84.8-42.2-175.748.20000112R28 R108 R124R28-T110 WeakPolarHBondContact CB-OG1 3.46Å; R28-T110 WeakPolarHBondContact CD-OG1 3.41Å; R28-T110 WeakPolarHBondContact CG-OG1 3.38Å; R28-T110 PolarHBondContact O-N 3.47Å; R28-T110 PolarHBondContact O-OG1 3.27Å; R28-T110 VanDerWaalsContact O-OG1 3.08Å; R108-T110 PolarHBondContact O-N 3.17Å; T110-R124 PolarHBondContact O-NE 3.07Å; T110-R124 PolarHBondContact O-NH2 3.35Å
111Q95.4Very high93.3Very high15 Ų1567.1 Ų67.17%0.0736%0.355CS..EExtended strand (participates in β ladder)trans-154.2148.1-177.8-172.6175.5-6.100110.7R28 T118 L119 G121 S123R28-Q111 HydrophobicContact CB-CB 4.27Å; R28-Q111 PolarHBondContact N-O 2.8Å; Q111-T118 PolarHBondContact NE2-O 3.39Å; Q111-L119 HydrophobicContact CB-CD1 4.03Å; Q111-L119 HydrophobicContact CG-CD1 3.77Å; Q111-L119 PolarHBondContact OE1-O 3.29Å; Q111-G121 PolarHBondContact NE2-O 3.29Å; Q111-G121 PolarHBondContact OE1-O 3.17Å; Q111-G121 VanDerWaalsContact OE1-O 3.09Å; Q111-S123 WeakPolarHBondContact CG-OG 3.26Å; Q111-S123 VanDerWaalsContact NE2-CB 3.34Å; Q111-S123 PolarHBondContact NE2-OG 3.16Å; Q111-S123 VanDerWaalsContact NE2-OG 3.16Å
112V96.9Very high93.4Very high48 Ų4863.7 Ų63.729%0.29134%0.341SS..EExtended strand (participates in β ladder)trans-131.1137.1174.5-1770000109Y26 M27 L87 W91 V109Y26-V112 CarbonylContact O-C 3.49Å; Y26-V112 WeakPolarHBondContact O-CA 3.49Å; M27-V112 HydrophobicContact CB-CG2 4.43Å; M27-V112 HydrophobicContact CE-CG2 4.11Å; M27-V112 HydrophobicContact CG-CG1 4.15Å; M27-V112 HydrophobicContact CG-CG2 4.06Å; L87-V112 HydrophobicContact CD1-CG1 4.06Å; L87-V112 HydrophobicContact CD2-CG1 4.36Å; W91-V112 HydrophobicContact CH2-CG2 4.29Å; W91-V112 HydrophobicContact CZ3-CG2 4.03Å; V109-V112 HydrophobicContact CG1-CG2 3.52Å
113S96.6Very high93.6Very high14 Ų1459.4 Ų59.410%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-153.8145.6178.7-158.40000112.3Y26 F115 T118Y26-S113 PolarHBondContact N-O 2.63Å; Y26-S113 PolarHBondContact O-N 2.99Å; S113-F115 WeakPolarHBondContact CB-O 3.48Å; S113-F115 PolarHBondContact O-N 3.47Å; S113-F115 PolarHBondContact OG-O 3.25Å; S113-T118 WeakPolarHBondContact OG-CB 3.31Å; S113-T118 PolarHBondContact OG-OG1 3.03Å
114P95.9Very high93.5Very high45 Ų4562.6 Ų62.629%0.29233%0.334SS..SBendtrans-70-13.2172.426.7-33000113.4S22 Y26S22-P114 WeakPolarHBondContact OG-CB 3.47Å; S22-P114 PolarHBondContact OG-O 2.92Å; Y26-P114 VanDerWaalsContact CE2-O 3.28Å; Y26-P114 WeakPolarHBondContact CE2-O 3.47Å
115F94.9Very high93.4Very high117 Ų11763.6 Ų63.651%0.51334%0.336SS..SBendtrans-129.5142.3178.9-52.5-78.6000111.7S113 L117 T118 L119S113-F115 WeakPolarHBondContact CB-O 3.48Å; S113-F115 PolarHBondContact O-N 3.47Å; S113-F115 PolarHBondContact OG-O 3.25Å; F115-L117 VanDerWaalsContact C-N 3.28Å; F115-L117 PolarHBondContact O-N 2.72Å; F115-T118 PolarHBondContact O-OG1 3.37Å; F115-L119 WeakPolarHBondContact O-CB 3.35Å; F115-L119 PolarHBondContact O-N 2.94Å; F115-L119 VanDerWaalsContact O-N 3.1Å
116L94.8Very high92.9Very high81 Ų8170.1 Ų70.142%0.42437%0.369SS..Hα-helixtrans-65.9-31.4175.7-75.1173000112.6Y26 L69 V79 L119 S120Y26-L116 HydrophobicContact CD1-CD1 4.29Å; Y26-L116 HydrophobicContact CD1-CD2 3.44Å; Y26-L116 VanDerWaalsContact CD1-CD2 3.44Å; Y26-L116 HydrophobicContact CD1-CG 3.7Å; Y26-L116 HydrophobicContact CD2-CD2 4.38Å; Y26-L116 HydrophobicContact CD2-CG 4.18Å; Y26-L116 HydrophobicContact CE1-CD1 3.89Å; Y26-L116 HydrophobicContact CE1-CD2 3.93Å; Y26-L116 HydrophobicContact CE1-CG 3.68Å; Y26-L116 HydrophobicContact CE2-CG 4.2Å; Y26-L116 HydrophobicContact CG-CD2 3.69Å; Y26-L116 HydrophobicContact CG-CG 3.95Å; L69-L116 HydrophobicContact CD1-CD1 4.15Å; L69-L116 HydrophobicContact CD1-CD2 4.16Å; V79-L116 HydrophobicContact CG1-CD2 3.98Å; L116-L119 HydrophobicContact CD2-CD2 4.11Å; L116-L119 CarbonylContact O-C 3.54Å; L116-L119 WeakPolarHBondContact O-CB 3.41Å; L116-L119 PolarHBondContact O-N 3.03Å; L116-S120 PolarHBondContact O-N 3.03Å; L116-S120 PolarHBondContact O-OG 3.23Å
117L94.4Very high92.6Very high142 Ų14272.9 Ų72.974%0.74338%0.384SS*.Hα-helixtrans-64.8-42.9180-17863.9000112.2F115 L119 S120F115-L117 VanDerWaalsContact C-N 3.28Å; F115-L117 PolarHBondContact O-N 2.72Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-S120 PolarHBondContact O-OG 3.36Å
118T93.8Very high92.1Very high75 Ų7578.4 Ų78.446%0.4641%0.413SS..Hα-helixtrans-74.2-29.1174.442.40000111.6Q111 S113 F115 S120Q111-T118 PolarHBondContact NE2-O 3.39Å; S113-T118 WeakPolarHBondContact OG-CB 3.31Å; S113-T118 PolarHBondContact OG-OG1 3.03Å; F115-T118 PolarHBondContact O-OG1 3.37Å; T118-S120 VanDerWaalsContact C-N 3.34Å
119L94.2Very high91.2Very high4 Ų483.6 Ų83.62%0.02145%0.452CS..Hα-helixtrans-69.8-28.5172.6-162.879.8000113R28 V79 Q111 F115 L116 L117 G121R28-L119 HydrophobicContact CB-CD1 4.3Å; R28-L119 HydrophobicContact CB-CD2 4.38Å; R28-L119 HydrophobicContact CB-CG 4.44Å; R28-L119 PolarHBondContact NH2-O 3.42Å; V79-L119 HydrophobicContact CG1-CD2 3.74Å; V79-L119 HydrophobicContact CG2-CD2 4.3Å; Q111-L119 HydrophobicContact CB-CD1 4.03Å; Q111-L119 HydrophobicContact CG-CD1 3.77Å; Q111-L119 PolarHBondContact OE1-O 3.29Å; F115-L119 WeakPolarHBondContact O-CB 3.35Å; F115-L119 PolarHBondContact O-N 2.94Å; F115-L119 VanDerWaalsContact O-N 3.1Å; L116-L119 HydrophobicContact CD2-CD2 4.11Å; L116-L119 CarbonylContact O-C 3.54Å; L116-L119 WeakPolarHBondContact O-CB 3.41Å; L116-L119 PolarHBondContact O-N 3.03Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L119-G121 VanDerWaalsContact C-N 3.32Å
120S90.5Very high90.9Very high78 Ų7886.7 Ų86.755%0.54547%0.467SS..Hα-helixtrans-73.1-27.9179.756.80000112.3L116 L117 T118L116-S120 PolarHBondContact O-N 3.03Å; L116-S120 PolarHBondContact O-OG 3.23Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-S120 PolarHBondContact O-OG 3.36Å; T118-S120 VanDerWaalsContact C-N 3.34Å
121G90.2Very high90.7Very high36 Ų3689.5 Ų89.537%0.37148%0.481SS..SBendtrans-71.1154.5169.400000112.1Q111 L119 S123Q111-G121 PolarHBondContact NE2-O 3.29Å; Q111-G121 PolarHBondContact OE1-O 3.17Å; Q111-G121 VanDerWaalsContact OE1-O 3.09Å; L119-G121 VanDerWaalsContact C-N 3.32Å; G121-S123 PolarHBondContact O-N 2.77Å
122N88.3Confident90.5Very high60 Ų6093.6 Ų93.632%0.32150%0.504SS..  trans-82.498.4177.4-172.7-16.5000109.8R124 E125 L126N122-R124 VanDerWaalsContact C-N 3.32Å; N122-R124 PolarHBondContact OD1-N 3.08Å; N122-E125 PolarHBondContact ND2-OE2 3.09Å; N122-E125 PolarHBondContact OD1-N 2.83Å; N122-L126 WeakPolarHBondContact O-CA 3.05Å; N122-L126 WeakPolarHBondContact O-CD2 3.4Å; N122-L126 PolarHBondContact O-N 3.35Å
123S89.5Confident90.1Very high71 Ų7196.3 Ų96.350%0.49752%0.516SS..SBendtrans-89.63.7174.383.30000113.9Q111 G121Q111-S123 WeakPolarHBondContact CG-OG 3.26Å; Q111-S123 VanDerWaalsContact NE2-CB 3.34Å; Q111-S123 PolarHBondContact NE2-OG 3.16Å; Q111-S123 VanDerWaalsContact NE2-OG 3.16Å; G121-S123 PolarHBondContact O-N 2.77Å
124R86.6Confident89.7Confident111 Ų111101.4 Ų101.442%0.41954%0.543SS..SBendtrans-97.1-50.3-176.6176.6173.8-76.8-98.9-8.8111.3R108 V109 T110 N122R108-R124 VanDerWaalsContact NH2-NH1 3.17Å; V109-R124 PolarHBondContact O-NH2 3.39Å; T110-R124 PolarHBondContact O-NE 3.07Å; T110-R124 PolarHBondContact O-NH2 3.35Å; N122-R124 VanDerWaalsContact C-N 3.32Å; N122-R124 PolarHBondContact OD1-N 3.08Å
125E89.6Confident89.3Confident109 Ų109105.2 Ų105.251%0.50956%0.559SS.*SBendtrans-107.5-27.4-179-64.9138.1-176.300112.2N122 E127 L128N122-E125 PolarHBondContact ND2-OE2 3.09Å; N122-E125 PolarHBondContact OD1-N 2.83Å; E125-E127 PolarHBondContact O-N 3.18Å; E125-L128 HydrophobicContact CB-CD2 4.37Å; E125-L128 HydrophobicContact CG-CD2 4.49Å; E125-L128 WeakPolarHBondContact OE2-CD2 3.49Å
126L83.4Confident88.9Confident144 Ų144104.4 Ų104.475%0.75456%0.563SS**SBendtrans63.8-47.6-174.7-59163000114.2N122N122-L126 WeakPolarHBondContact O-CA 3.05Å; N122-L126 WeakPolarHBondContact O-CD2 3.4Å; N122-L126 PolarHBondContact O-N 3.35Å
127E88.3Confident88.4Confident171 Ų171106.2 Ų106.280%0.79957%0.573SS**SBendtrans-127144.8173.3-66.9-175.8149.400109.5E125E125-E127 PolarHBondContact O-N 3.18Å
128L85.5Confident87.9Confident134 Ų134103.2 Ų103.270%0.70256%0.559SS**  trans-112.5123.5174.8-71.9169.9000107.2E125E125-L128 HydrophobicContact CB-CD2 4.37Å; E125-L128 HydrophobicContact CG-CD2 4.49Å; E125-L128 WeakPolarHBondContact OE2-CD2 3.49Å
129D75.6Confident87.4Confident245 Ų245105.7 Ų105.7100%1.3157%0.568SS**  trans-68.80174.8-69.1-53000112.7

Retrieved 129 of 129 residues in 225.2 ms (Link to these results)

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