A0A075B718_HUMAN Loading...

SPG11 vesicle trafficking associated, spatacsin

AlphaFold DB , UniProt , Accession A0A075B718, Species HUMAN (Homo sapiens, Human), Gene SPG11, Length 156 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
1F73.6Confident74.1Confident189 Ų189106.5 Ų106.583%0.82950%0.5SS*.  0137.60-82.9-90.6000109.3L21 E22F1-L21 HydrophobicContact CB-CB 4.47Å; F1-L21 PolarHBondContact O-N 3.39Å; F1-E22 PolarHBondContact N-OE2 3Å
2T76.6Confident73.3Confident77 Ų77109.4 Ų109.447%0.47252%0.516SS..EExtended strand (participates in β ladder)trans-117.9151.4179.951.70000113W19 D20 Q45T2-W19 CarbonylContact C-O 3.41Å; T2-W19 VanDerWaalsContact CA-O 3.29Å; T2-W19 WeakPolarHBondContact CA-O 3.38Å; T2-D20 HydrophobicContact CG2-CB 4.38Å; T2-Q45 PolarHBondContact OG1-OE1 3.08Å
3A78.4Confident73.4Confident23 Ų23101.5 Ų101.519%0.1948%0.481CS..EExtended strand (participates in β ladder)trans-133.8131.9170.300000110.2F5 W19 L21A3-F5 HydrophobicContact CB-CD2 4.47Å; A3-F5 HydrophobicContact CB-CE2 3.58Å; A3-F5 HydrophobicContact CB-CZ 3.77Å; A3-W19 PolarHBondContact N-O 3.07Å; A3-W19 PolarHBondContact O-N 3Å; A3-L21 HydrophobicContact CB-CD1 3.78Å
4L79.4Confident73.7Confident44 Ų4498.2 Ų98.223%0.2346%0.463CS..EExtended strand (participates in β ladder)trans-100.1127.4175.5-174.374.9000109.4I16 T17 L18 Q45 C47 F60L4-I16 HydrophobicContact CD1-CG2 3.78Å; L4-T17 CarbonylContact C-O 3.5Å; L4-T17 WeakPolarHBondContact CA-O 3.39Å; L4-L18 HydrophobicContact CB-CD1 4.41Å; L4-L18 HydrophobicContact CD1-CB 4.47Å; L4-L18 HydrophobicContact CD1-CD1 4.21Å; L4-Q45 HydrophobicContact CB-CG 4.02Å; L4-Q45 HydrophobicContact CD2-CG 4.43Å; L4-C47 HydrophobicContact CD1-CB 4.16Å; L4-C47 HydrophobicContact CD2-CB 3.73Å; L4-F60 HydrophobicContact CD1-CE2 3.79Å; L4-F60 HydrophobicContact CD1-CZ 4.08Å
5F79.7Confident74.1Confident91 Ų9193.3 Ų93.340%0.39944%0.442SS..EExtended strand (participates in β ladder)trans-118.5136.5176.1-57.9-86.5000109.6A3 W7 I16 T17 W19A3-F5 HydrophobicContact CB-CD2 4.47Å; A3-F5 HydrophobicContact CB-CE2 3.58Å; A3-F5 HydrophobicContact CB-CZ 3.77Å; F5-W7 HydrophobicContact CB-CE3 4.27Å; F5-W7 HydrophobicContact CB-CZ3 4.3Å; F5-I16 CarbonylContact O-C 3.48Å; F5-I16 WeakPolarHBondContact O-CA 3.49Å; F5-T17 PolarHBondContact N-O 3.41Å; F5-T17 PolarHBondContact O-N 3.24Å; F5-W19 HydrophobicContact CE2-CB 4.08Å; F5-W19 AromaticContact CE2-CE3 4Å; F5-W19 HydrophobicContact CE2-CE3 4Å; F5-W19 HydrophobicContact CZ-CE3 4.34Å
6T79.3Confident74.5Confident71 Ų7187.5 Ų87.544%0.43641%0.414SS..EExtended strand (participates in β ladder)trans-121130.7170.161.70000107.7I16 P37T6-I16 HydrophobicContact CG2-CD1 4.33Å; T6-I16 HydrophobicContact CG2-CG1 3.97Å; T6-I16 HydrophobicContact CG2-CG2 4.31Å; T6-P37 HydrophobicContact CG2-CB 3.98Å; T6-P37 HydrophobicContact CG2-CG 4.49Å
7W78.8Confident74.8Confident107 Ų10782.4 Ų82.441%0.40539%0.39SS..EExtended strand (participates in β ladder)trans-139.9144.9173.369.578.4000111.2F5 Y14 T15 T17 M26F5-W7 HydrophobicContact CB-CE3 4.27Å; F5-W7 HydrophobicContact CB-CZ3 4.3Å; W7-Y14 WeakPolarHBondContact O-CA 3.28Å; W7-T15 HydrophobicContact CH2-CG2 4.2Å; W7-T15 HydrophobicContact CZ2-CG2 3.6Å; W7-T15 PolarHBondContact N-O 3.19Å; W7-T15 PolarHBondContact O-N 3.19Å; W7-T17 WeakPolarHBondContact CH2-OG1 3.32Å; W7-T17 HydrophobicContact CZ3-CG2 4.41Å; W7-T17 WeakPolarHBondContact CZ3-OG1 3.46Å; W7-M26 HydrophobicContact CH2-CE 4.43Å
8E77.1Confident75.1Confident128 Ų12879.6 Ų79.660%0.59838%0.378SS*.EExtended strand (participates in β ladder)trans-85.1131.5174-163.3172156.400109.4Y14E8-Y14 HydrophobicContact CB-CD1 3.98Å; E8-Y14 HydrophobicContact CB-CE1 3.59Å; E8-Y14 HydrophobicContact CG-CD1 4.29Å; E8-Y14 HydrophobicContact CG-CE1 3.8Å; E8-Y14 HydrophobicContact CG-CE2 4.38Å; E8-Y14 PolarHBondContact OE2-OH 3.45Å
9V70.2Confident75.4Confident54 Ų5481.1 Ų81.133%0.32738%0.38SS..EExtended strand (participates in β ladder)trans-105.3113.6170.5-176.60000107R11 M12 G13V9-R11 PolarHBondContact O-N 2.86Å; V9-M12 HydrophobicContact CB-CB 4.12Å; V9-M12 HydrophobicContact CG1-CB 3.89Å; V9-M12 HydrophobicContact CG1-CG 4.23Å; V9-M12 PolarHBondContact O-N 3.19Å; V9-G13 PolarHBondContact N-O 2.66Å; V9-G13 PolarHBondContact O-N 3.1Å
10E59.2Low75.7Confident165 Ų16579.1 Ų79.177%0.77137%0.372SS*.THydrogen-bonded Turntrans-46.5125.1-176.4-72.7-168.8158.700111.7M12E10-M12 PolarHBondContact O-N 3.15Å; E10-M12 VanDerWaalsContact O-N 3.12Å
11R62.9Low75.9Confident222 Ų22279.7 Ų79.784%0.83838%0.377SS*.THydrogen-bonded Turntrans63.7-4-176.6-72.9178.9-88.9-159-10.3117.5V9 T33V9-R11 PolarHBondContact O-N 2.86Å; R11-T33 WeakPolarHBondContact O-CG2 3.49Å
12M64.7Low76.2Confident142 Ų14278 Ų7870%0.737%0.371SS*.THydrogen-bonded Turntrans-108.3-19-178.4-64.4-65.8161.700114.3V9 E10V9-M12 HydrophobicContact CB-CB 4.12Å; V9-M12 HydrophobicContact CG1-CB 3.89Å; V9-M12 HydrophobicContact CG1-CG 4.23Å; V9-M12 PolarHBondContact O-N 3.19Å; E10-M12 PolarHBondContact O-N 3.15Å; E10-M12 VanDerWaalsContact O-N 3.12Å
13G74.9Confident76.5Confident6 Ų679.1 Ų79.16%0.06238%0.378CS..EExtended strand (participates in β ladder)trans111-164.2178.600000112.6V9V9-G13 PolarHBondContact N-O 2.66Å; V9-G13 PolarHBondContact O-N 3.1Å
14Y77.4Confident76.6Confident56 Ų5685.5 Ų85.522%0.2240%0.404CS..EExtended strand (participates in β ladder)trans-92.5135.8179.8-70.2-89000111.2W7 E8 L31 C35 P37W7-Y14 WeakPolarHBondContact O-CA 3.28Å; E8-Y14 HydrophobicContact CB-CD1 3.98Å; E8-Y14 HydrophobicContact CB-CE1 3.59Å; E8-Y14 HydrophobicContact CG-CD1 4.29Å; E8-Y14 HydrophobicContact CG-CE1 3.8Å; E8-Y14 HydrophobicContact CG-CE2 4.38Å; E8-Y14 PolarHBondContact OE2-OH 3.45Å; Y14-L31 PolarHBondContact N-O 2.95Å; Y14-L31 WeakPolarHBondContact O-CA 3.23Å; Y14-L31 WeakPolarHBondContact O-CB 3.31Å; Y14-L31 PolarHBondContact O-N 3.14Å; Y14-C35 WeakPolarHBondContact CD2-O 3.44Å; Y14-C35 WeakPolarHBondContact CE2-O 3.42Å; Y14-P37 HydrophobicContact CD1-CG 4.18Å; Y14-P37 HydrophobicContact CE1-CG 4.42Å
15T78.6Confident76.6Confident24 Ų2485 Ų8515%0.14741%0.409CS..EExtended strand (participates in β ladder)trans-105.6132.8165.7-56.30000108.9W7 F29W7-T15 HydrophobicContact CH2-CG2 4.2Å; W7-T15 HydrophobicContact CZ2-CG2 3.6Å; W7-T15 PolarHBondContact N-O 3.19Å; W7-T15 PolarHBondContact O-N 3.19Å; T15-F29 WeakPolarHBondContact CA-O 3.47Å
16I80.4Confident76.5Confident1 Ų186.1 Ų86.11%0.00542%0.417CS..EExtended strand (participates in β ladder)trans-115.2130.7178.3-60.6-177.1000107.5L4 F5 T6 F29 L31 C47 V49 I58 F60L4-I16 HydrophobicContact CD1-CG2 3.78Å; F5-I16 CarbonylContact O-C 3.48Å; F5-I16 WeakPolarHBondContact O-CA 3.49Å; T6-I16 HydrophobicContact CG2-CD1 4.33Å; T6-I16 HydrophobicContact CG2-CG1 3.97Å; T6-I16 HydrophobicContact CG2-CG2 4.31Å; I16-F29 PolarHBondContact N-O 3.13Å; I16-F29 PolarHBondContact O-N 2.79Å; I16-L31 HydrophobicContact CB-CD1 4.1Å; I16-L31 HydrophobicContact CD1-CD1 3.6Å; I16-L31 HydrophobicContact CD1-CD2 4.33Å; I16-L31 HydrophobicContact CG1-CD1 3.64Å; I16-C47 VanDerWaalsContact CG2-SG 3.55Å; I16-V49 HydrophobicContact CD1-CG2 3.55Å; I16-I58 HydrophobicContact CD1-CD1 3.61Å; I16-I58 HydrophobicContact CG2-CD1 4.41Å; I16-F60 HydrophobicContact CG2-CZ 3.92Å
17T79.6Confident76.4Confident1 Ų185.7 Ų85.71%0.00641%0.41CS..EExtended strand (participates in β ladder)trans-127.9124.9-176.7-68.10000110L4 F5 W7 M26 Q27 C28L4-T17 CarbonylContact C-O 3.5Å; L4-T17 WeakPolarHBondContact CA-O 3.39Å; F5-T17 PolarHBondContact N-O 3.41Å; F5-T17 PolarHBondContact O-N 3.24Å; W7-T17 WeakPolarHBondContact CH2-OG1 3.32Å; W7-T17 HydrophobicContact CZ3-CG2 4.41Å; W7-T17 WeakPolarHBondContact CZ3-OG1 3.46Å; T17-M26 HydrophobicContact CG2-CE 3.49Å; T17-M26 VanDerWaalsContact CG2-CE 3.49Å; T17-M26 HydrophobicContact CG2-CG 3.7Å; T17-M26 HydrophobicContact CG2-SD 4.44Å; T17-Q27 CarbonylContact C-O 3.3Å; T17-Q27 VanDerWaalsContact CA-O 3.27Å; T17-Q27 WeakPolarHBondContact CA-O 3.36Å; T17-C28 PolarHBondContact OG1-SG 3.27Å; T17-C28 VanDerWaalsContact OG1-SG 3.39Å
18L80.6Confident76.1Confident32 Ų3283.8 Ų83.817%0.16841%0.413CS..EExtended strand (participates in β ladder)trans-97120.1163.4-172.372.6000108.7L4 Q27 F60L4-L18 HydrophobicContact CB-CD1 4.41Å; L4-L18 HydrophobicContact CD1-CB 4.47Å; L4-L18 HydrophobicContact CD1-CD1 4.21Å; L18-Q27 PolarHBondContact N-O 3.01Å; L18-Q27 PolarHBondContact O-N 3.22Å; L18-F60 HydrophobicContact CB-CD1 3.84Å; L18-F60 HydrophobicContact CB-CD2 4.12Å; L18-F60 HydrophobicContact CB-CE1 3.92Å; L18-F60 HydrophobicContact CB-CE2 4.19Å; L18-F60 HydrophobicContact CB-CG 3.95Å; L18-F60 HydrophobicContact CB-CZ 4.1Å; L18-F60 HydrophobicContact CD2-CB 3.51Å; L18-F60 HydrophobicContact CD2-CD1 4.25Å; L18-F60 HydrophobicContact CD2-CD2 3.94Å; L18-F60 HydrophobicContact CD2-CG 3.64Å; L18-F60 HydrophobicContact CG-CD2 4.46Å; L18-F60 HydrophobicContact CG-CG 4.38Å
19W81.7Confident75.9Confident108 Ų10880.8 Ų80.841%0.40940%0.398SS..EExtended strand (participates in β ladder)trans-106.3120.4171.2-172.47.9000109.3T2 A3 F5 L21T2-W19 CarbonylContact C-O 3.41Å; T2-W19 VanDerWaalsContact CA-O 3.29Å; T2-W19 WeakPolarHBondContact CA-O 3.38Å; A3-W19 PolarHBondContact N-O 3.07Å; A3-W19 PolarHBondContact O-N 3Å; F5-W19 HydrophobicContact CE2-CB 4.08Å; F5-W19 AromaticContact CE2-CE3 4Å; F5-W19 HydrophobicContact CE2-CE3 4Å; F5-W19 HydrophobicContact CZ-CE3 4.34Å; W19-L21 HydrophobicContact CB-CD1 4.42Å; W19-L21 HydrophobicContact CD2-CD1 4.29Å; W19-L21 HydrophobicContact CD2-CG 4.49Å; W19-L21 HydrophobicContact CG-CD1 4.2Å; W19-L21 WeakPolarHBondContact O-CD1 3.18Å
20D81.3Confident76Confident41 Ų4182.7 Ų82.722%0.21941%0.413CS..EExtended strand (participates in β ladder)trans-84.9109.1161.8179.1-0.8000109T2 E22 T23 Q24 G25T2-D20 HydrophobicContact CG2-CB 4.38Å; D20-E22 PolarHBondContact O-N 3.49Å; D20-E22 WeakPolarHBondContact OD1-CA 3.45Å; D20-E22 VanDerWaalsContact OD1-CB 3.28Å; D20-E22 WeakPolarHBondContact OD1-CB 3.19Å; D20-E22 PolarHBondContact OD1-N 3Å; D20-T23 WeakPolarHBondContact CB-OG1 3.35Å; D20-T23 PolarHBondContact OD1-N 2.99Å; D20-T23 WeakPolarHBondContact OD2-CB 3.34Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.37Å; D20-T23 PolarHBondContact OD2-OG1 3.45Å; D20-Q24 CarbonylContact O-C 3.55Å; D20-Q24 WeakPolarHBondContact O-CA 3.24Å; D20-Q24 PolarHBondContact O-N 2.63Å; D20-G25 PolarHBondContact N-O 3.31Å; D20-G25 PolarHBondContact O-N 3.35Å
21L79.7Confident76.6Confident91 Ų9175.6 Ų75.648%0.47638%0.381SS..THydrogen-bonded Turntrans-71.9-18.1-179.3-76.372.9000112.4F1 A3 W19F1-L21 HydrophobicContact CB-CB 4.47Å; F1-L21 PolarHBondContact O-N 3.39Å; A3-L21 HydrophobicContact CB-CD1 3.78Å; W19-L21 HydrophobicContact CB-CD1 4.42Å; W19-L21 HydrophobicContact CD2-CD1 4.29Å; W19-L21 HydrophobicContact CD2-CG 4.49Å; W19-L21 HydrophobicContact CG-CD1 4.2Å; W19-L21 WeakPolarHBondContact O-CD1 3.18Å
22E80.7Confident76.9Confident153 Ų15366.9 Ų66.972%0.71536%0.36SS*.THydrogen-bonded Turntrans-87.3-44.1-175.4-172.9172.4165.900111.4F1 D20F1-E22 PolarHBondContact N-OE2 3Å; D20-E22 PolarHBondContact O-N 3.49Å; D20-E22 WeakPolarHBondContact OD1-CA 3.45Å; D20-E22 VanDerWaalsContact OD1-CB 3.28Å; D20-E22 WeakPolarHBondContact OD1-CB 3.19Å; D20-E22 PolarHBondContact OD1-N 3Å
23T82.6Confident77.1Confident102 Ų10265 Ų6563%0.62636%0.357SS*.THydrogen-bonded Turntrans-88.9-7.9172.664.80000113.7D20 G25D20-T23 WeakPolarHBondContact CB-OG1 3.35Å; D20-T23 PolarHBondContact OD1-N 2.99Å; D20-T23 WeakPolarHBondContact OD2-CB 3.34Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.37Å; D20-T23 PolarHBondContact OD2-OG1 3.45Å; T23-G25 PolarHBondContact O-N 2.82Å; T23-G25 PolarHBondContact OG1-N 2.82Å
24Q80.6Confident76.9Confident157 Ų15770.7 Ų70.773%0.73438%0.38SS*.  trans56.516.3-165-57.2-167.2-16.400114.1D20D20-Q24 CarbonylContact O-C 3.55Å; D20-Q24 WeakPolarHBondContact O-CA 3.24Å; D20-Q24 PolarHBondContact O-N 2.63Å
25G77.6Confident76.7Confident32 Ų3268.4 Ų68.433%0.3337%0.372SS..  trans-72.5130.917700000112.1D20 T23D20-G25 PolarHBondContact N-O 3.31Å; D20-G25 PolarHBondContact O-N 3.35Å; T23-G25 PolarHBondContact O-N 2.82Å; T23-G25 PolarHBondContact OG1-N 2.82Å
26M78.6Confident76.7Confident115 Ų11572.1 Ų72.157%0.56739%0.39SS*.EExtended strand (participates in β ladder)trans-118.7124.4178.6-166.8-176.4-172.600109.3W7 T17W7-M26 HydrophobicContact CH2-CE 4.43Å; T17-M26 HydrophobicContact CG2-CE 3.49Å; T17-M26 VanDerWaalsContact CG2-CE 3.49Å; T17-M26 HydrophobicContact CG2-CG 3.7Å; T17-M26 HydrophobicContact CG2-SD 4.44Å
27Q76.8Confident76.6Confident62 Ų6273.7 Ų73.729%0.2940%0.4SS..EExtended strand (participates in β ladder)trans-113.2124.4174.4-65.7174.712.300107.7T17 L18 F60 D150T17-Q27 CarbonylContact C-O 3.3Å; T17-Q27 VanDerWaalsContact CA-O 3.27Å; T17-Q27 WeakPolarHBondContact CA-O 3.36Å; L18-Q27 PolarHBondContact N-O 3.01Å; L18-Q27 PolarHBondContact O-N 3.22Å; Q27-F60 HydrophobicContact CB-CD1 4.13Å; Q27-D150 PolarHBondContact OE1-OD1 2.85Å
28C72.9Confident76.5Confident68 Ų6876.6 Ų76.646%0.45942%0.417SS..EExtended strand (participates in β ladder)trans-121.1133.5-176.7-63.40000109.6T17T17-C28 PolarHBondContact OG1-SG 3.27Å; T17-C28 VanDerWaalsContact OG1-SG 3.39Å
29F72.6Confident76.2Confident64 Ų6482.2 Ų82.228%0.28145%0.448SS..EExtended strand (participates in β ladder)trans-126.8125.9173.6-158.8-76.3000110.8T15 I16 L31 Y152T15-F29 WeakPolarHBondContact CA-O 3.47Å; I16-F29 PolarHBondContact N-O 3.13Å; I16-F29 PolarHBondContact O-N 2.79Å; F29-L31 HydrophobicContact CD1-CD1 3.86Å; F29-L31 HydrophobicContact CD1-CG 3.98Å; F29-L31 HydrophobicContact CE1-CG 4.28Å; F29-Y152 AromaticContact CD1-CE2 3.66Å; F29-Y152 HydrophobicContact CD1-CE2 3.66Å; F29-Y152 AromaticContact CD1-CZ 3.5Å; F29-Y152 WeakPolarHBondContact CD1-OH 3.11Å; F29-Y152 AromaticContact CD2-CE2 3.63Å; F29-Y152 HydrophobicContact CD2-CE2 3.63Å; F29-Y152 HydrophobicContact CE1-CD2 4.3Å; F29-Y152 HydrophobicContact CE1-CE1 4.42Å; F29-Y152 AromaticContact CE1-CE2 3.37Å; F29-Y152 HydrophobicContact CE1-CE2 3.37Å; F29-Y152 AromaticContact CE1-CZ 3.44Å; F29-Y152 VanDerWaalsContact CE1-CZ 3.44Å; F29-Y152 VanDerWaalsContact CE1-OH 3.28Å; F29-Y152 WeakPolarHBondContact CE1-OH 3.38Å; F29-Y152 HydrophobicContact CE2-CD2 4.07Å; F29-Y152 AromaticContact CE2-CE2 3.37Å; F29-Y152 HydrophobicContact CE2-CE2 3.37Å; F29-Y152 AromaticContact CG-CE2 3.76Å; F29-Y152 HydrophobicContact CG-CE2 3.76Å; F29-Y152 AromaticContact CG-CZ 3.9Å; F29-Y152 WeakPolarHBondContact CG-OH 3.05Å; F29-Y152 AromaticContact CZ-CD2 3.85Å; F29-Y152 HydrophobicContact CZ-CD2 3.85Å; F29-Y152 AromaticContact CZ-CE2 3.22Å; F29-Y152 HydrophobicContact CZ-CE2 3.22Å; F29-Y152 AromaticContact CZ-CZ 3.83Å
30S73.1Confident75.5Confident94 Ų9478.5 Ų78.566%0.65744%0.438SS*.EExtended strand (participates in β ladder)trans-92.8121.2174.7560000110.7
31L71.8Confident74.6Confident16 Ų1682.8 Ų82.88%0.08447%0.471CS..  trans-104.4152.5173.5-61.189.5000110.2Y14 I16 F29 C35 V49 Y152Y14-L31 PolarHBondContact N-O 2.95Å; Y14-L31 WeakPolarHBondContact O-CA 3.23Å; Y14-L31 WeakPolarHBondContact O-CB 3.31Å; Y14-L31 PolarHBondContact O-N 3.14Å; I16-L31 HydrophobicContact CB-CD1 4.1Å; I16-L31 HydrophobicContact CD1-CD1 3.6Å; I16-L31 HydrophobicContact CD1-CD2 4.33Å; I16-L31 HydrophobicContact CG1-CD1 3.64Å; F29-L31 HydrophobicContact CD1-CD1 3.86Å; F29-L31 HydrophobicContact CD1-CG 3.98Å; F29-L31 HydrophobicContact CE1-CG 4.28Å; L31-C35 HydrophobicContact CB-CB 4.35Å; L31-C35 WeakPolarHBondContact CB-SG 3.42Å; L31-C35 HydrophobicContact CD2-CB 4.26Å; L31-V49 HydrophobicContact CD2-CB 4.11Å; L31-V49 HydrophobicContact CD2-CG1 3.59Å; L31-V49 HydrophobicContact CD2-CG2 3.78Å; L31-Y152 HydrophobicContact CD2-CE1 3.82Å; L31-Y152 HydrophobicContact CG-CE1 4.37Å
32G68.9Low73.8Confident39 Ų3980.8 Ų80.840%0.40247%0.472SS..  trans-68.7-179.5-17800000114.2K34 C35G32-K34 PolarHBondContact O-N 3.15Å; G32-K34 VanDerWaalsContact O-N 3.07Å; G32-C35 PolarHBondContact O-SG 2.91Å
33T68.1Low72.8Confident103 Ų10382.2 Ų82.263%0.63249%0.485SS*.THydrogen-bonded Turntrans-74.75.6-17354.50000115.7R11R11-T33 WeakPolarHBondContact O-CG2 3.49Å
34K71.6Confident72Confident126 Ų12684.3 Ų84.355%0.54849%0.488SS..THydrogen-bonded Turntrans-130.346-176.6-61.9-178.3-174.5170.20112.3G32 E52G32-K34 PolarHBondContact O-N 3.15Å; G32-K34 VanDerWaalsContact O-N 3.07Å; K34-E52 VanDerWaalsContact CD-CD 3.41Å; K34-E52 HydrophobicContact CD-CG 4.33Å; K34-E52 WeakPolarHBondContact CD-OE1 3.34Å; K34-E52 VanDerWaalsContact CD-OE2 3.26Å; K34-E52 WeakPolarHBondContact CD-OE2 3.32Å; K34-E52 WeakPolarHBondContact CE-OE2 3.3Å; K34-E52 IonicContact NZ-OE1 3.2Å; K34-E52 PolarHBondContact NZ-OE1 3.38Å; K34-E52 IonicContact NZ-OE2 3.33Å; K34-E52 PolarHBondContact NZ-OE2 3.46Å
35C73.4Confident71.3Confident7 Ų781.8 Ų81.85%0.04748%0.476CS..EExtended strand (participates in β ladder)trans-132.2148.6176.5680000110.6Y14 L31 G32 V49 L50 T51Y14-C35 WeakPolarHBondContact CD2-O 3.44Å; Y14-C35 WeakPolarHBondContact CE2-O 3.42Å; L31-C35 HydrophobicContact CB-CB 4.35Å; L31-C35 WeakPolarHBondContact CB-SG 3.42Å; L31-C35 HydrophobicContact CD2-CB 4.26Å; G32-C35 PolarHBondContact O-SG 2.91Å; C35-V49 HydrophobicContact CB-CG1 3.54Å; C35-L50 CarbonylContact C-O 3.57Å; C35-L50 VanDerWaalsContact CA-O 3.23Å; C35-L50 WeakPolarHBondContact CA-O 3.49Å; C35-T51 HydrophobicContact CB-CG2 4.29Å
36I77.9Confident71.1Confident103 Ų10383.2 Ų83.253%0.52848%0.476SS..EExtended strand (participates in β ladder)trans-126.5117.8177.1-56.6175.1000107.1V38 V49 L50I36-V38 PolarHBondContact O-N 3.37Å; I36-V49 WeakPolarHBondContact O-CA 3.45Å; I36-L50 HydrophobicContact CB-CB 4.47Å; I36-L50 PolarHBondContact N-O 2.89Å; I36-L50 PolarHBondContact O-N 3.28Å
37P77.8Confident71.1Confident33 Ų3378 Ų7821%0.21445%0.451CS..EExtended strand (participates in β ladder)trans-65.2135.2172.728-32.9000109.7T6 Y14T6-P37 HydrophobicContact CG2-CB 3.98Å; T6-P37 HydrophobicContact CG2-CG 4.49Å; Y14-P37 HydrophobicContact CD1-CG 4.18Å; Y14-P37 HydrophobicContact CE1-CG 4.42Å
38V79.1Confident71.2Confident63 Ų6377.1 Ų77.138%0.38245%0.446SS..EExtended strand (participates in β ladder)trans-108124.5-179.4178.90000108.5I36 F48 L50 L55I36-V38 PolarHBondContact O-N 3.37Å; V38-F48 HydrophobicContact CB-CB 3.88Å; V38-F48 HydrophobicContact CG1-CB 4.46Å; V38-F48 PolarHBondContact N-O 3.09Å; V38-L50 HydrophobicContact CG2-CB 4.1Å; V38-L55 HydrophobicContact CG2-CD1 4.22Å
39D72.8Confident71.5Confident150 Ų15073.9 Ų73.980%0.80242%0.424SS*.  trans-73.3134.1177.2-171.720.4000111
40S68.4Low71.8Confident30 Ų3074.6 Ų74.621%0.2143%0.43CS..  trans-108.1104.3178.969.10000109.8G42 L46S40-G42 PolarHBondContact O-N 3.27Å; S40-L46 PolarHBondContact OG-O 3.07Å
41S61.9Low71.9Confident130 Ų13072 Ų7291%0.90941%0.411SS*.  trans-76.138.4-177.371.10000114.2
42G62.9Low71.8Confident49 Ų4977.5 Ų77.551%0.50544%0.436SS..SBendtrans-122.5166.1-176.300000113.1S40 Q44S40-G42 PolarHBondContact O-N 3.27Å; G42-Q44 PolarHBondContact O-N 3.44Å; G42-Q44 VanDerWaalsContact O-N 3.15Å
43D60.2Low71.8Confident184 Ų18482.6 Ų82.698%0.98445%0.454SS*.SBendtrans-63.4-19.6-178.4-63.7-30.1000113.8
44Q64.7Low72.1Confident145 Ų14578.5 Ų78.568%0.67843%0.432SS*.SBendtrans-98124.3171.7-83.3-176.5-37.700111.1G42 L46G42-Q44 PolarHBondContact O-N 3.44Å; G42-Q44 VanDerWaalsContact O-N 3.15Å; Q44-L46 HydrophobicContact CB-CG 4.17Å; Q44-L46 PolarHBondContact O-N 2.82Å
45Q66.4Low72.5Confident105 Ų10574.8 Ų74.849%0.49142%0.418SS..  trans-74.272177.2-165.2169.44700110.7T2 L4T2-Q45 PolarHBondContact OG1-OE1 3.08Å; L4-Q45 HydrophobicContact CB-CG 4.02Å; L4-Q45 HydrophobicContact CD2-CG 4.43Å
46L72.3Confident72.6Confident62 Ų6274.7 Ų74.733%0.32542%0.418SS..  trans-85.7131.2178.5-65.6177.7000110.1S40 Q44 F48 L57S40-L46 PolarHBondContact OG-O 3.07Å; Q44-L46 HydrophobicContact CB-CG 4.17Å; Q44-L46 PolarHBondContact O-N 2.82Å; L46-F48 HydrophobicContact CB-CD2 3.98Å; L46-F48 HydrophobicContact CB-CE2 3.45Å; L46-F48 VanDerWaalsContact CB-CE2 3.45Å; L46-F48 HydrophobicContact CB-CZ 4.11Å; L46-F48 HydrophobicContact CD1-CE2 3.85Å; L46-F48 HydrophobicContact CD1-CZ 3.89Å; L46-F48 HydrophobicContact CG-CE2 4.3Å; L46-F48 PolarHBondContact O-N 2.79Å; L46-L57 HydrophobicContact CB-CD1 4.07Å; L46-L57 HydrophobicContact CD2-CD1 4.33Å
47C78.8Confident72.8Confident6 Ų670.8 Ų70.84%0.04140%0.398CS..EExtended strand (participates in β ladder)trans-98.895.6-177.8-168.70000111.1L4 I16 I58 F60L4-C47 HydrophobicContact CD1-CB 4.16Å; L4-C47 HydrophobicContact CD2-CB 3.73Å; I16-C47 VanDerWaalsContact CG2-SG 3.55Å; C47-I58 HydrophobicContact CB-CB 4.14Å; C47-I58 HydrophobicContact CB-CD1 4.46Å; C47-I58 PolarHBondContact O-N 3.28Å; C47-F60 HydrophobicContact CB-CE2 3.97Å
48F79.9Confident72.7Confident43 Ų4369.4 Ų69.419%0.18939%0.389CS..EExtended strand (participates in β ladder)trans-93.2146.7177-67.5-80.9000111.6V38 L46 L55 S56 L57 I155V38-F48 HydrophobicContact CB-CB 3.88Å; V38-F48 HydrophobicContact CG1-CB 4.46Å; V38-F48 PolarHBondContact N-O 3.09Å; L46-F48 HydrophobicContact CB-CD2 3.98Å; L46-F48 HydrophobicContact CB-CE2 3.45Å; L46-F48 VanDerWaalsContact CB-CE2 3.45Å; L46-F48 HydrophobicContact CB-CZ 4.11Å; L46-F48 HydrophobicContact CD1-CE2 3.85Å; L46-F48 HydrophobicContact CD1-CZ 3.89Å; L46-F48 HydrophobicContact CG-CE2 4.3Å; L46-F48 PolarHBondContact O-N 2.79Å; F48-L55 HydrophobicContact CB-CD1 4.27Å; F48-L55 HydrophobicContact CD1-CD2 4.25Å; F48-L55 HydrophobicContact CD1-CG 4.38Å; F48-S56 CarbonylContact C-O 3.52Å; F48-S56 WeakPolarHBondContact CA-O 3.41Å; F48-L57 HydrophobicContact CD1-CB 4.2Å; F48-L57 HydrophobicContact CD1-CD1 4.15Å; F48-L57 HydrophobicContact CE1-CB 4.18Å; F48-L57 HydrophobicContact CE1-CD1 4.02Å; F48-L57 HydrophobicContact CG-CD1 4.47Å; F48-L57 HydrophobicContact CZ-CD1 4.22Å; F48-I155 HydrophobicContact CE1-CD1 4.02Å
49V79.3Confident72.5Confident0 Ų068 Ų680%038%0.379CS..EExtended strand (participates in β ladder)trans-140.2123.1177.51790000109.5I16 L31 C35 I36 T51 S56 I58I16-V49 HydrophobicContact CD1-CG2 3.55Å; L31-V49 HydrophobicContact CD2-CB 4.11Å; L31-V49 HydrophobicContact CD2-CG1 3.59Å; L31-V49 HydrophobicContact CD2-CG2 3.78Å; C35-V49 HydrophobicContact CB-CG1 3.54Å; I36-V49 WeakPolarHBondContact O-CA 3.45Å; V49-T51 HydrophobicContact CG1-CG2 4.04Å; V49-S56 PolarHBondContact N-O 3.14Å; V49-S56 PolarHBondContact O-N 2.98Å; V49-I58 HydrophobicContact CG2-CD1 3.66Å; V49-I58 HydrophobicContact CG2-CG1 4.3Å
50L78.3Confident72.6Confident79 Ų7962.8 Ų62.841%0.41435%0.349SS..EExtended strand (participates in β ladder)trans-82.4128.1168.6-177.663.5000109.4C35 I36 V38 L55C35-L50 CarbonylContact C-O 3.57Å; C35-L50 VanDerWaalsContact CA-O 3.23Å; C35-L50 WeakPolarHBondContact CA-O 3.49Å; I36-L50 HydrophobicContact CB-CB 4.47Å; I36-L50 PolarHBondContact N-O 2.89Å; I36-L50 PolarHBondContact O-N 3.28Å; V38-L50 HydrophobicContact CG2-CB 4.1Å; L50-L55 HydrophobicContact CB-CD1 4.45Å
51T74.6Confident72.7Confident39 Ų3963.5 Ų63.524%0.23936%0.361CS..EExtended strand (participates in β ladder)trans-121.2173.1176.671.70000110.5C35 V49 N53 G54C35-T51 HydrophobicContact CB-CG2 4.29Å; V49-T51 HydrophobicContact CG1-CG2 4.04Å; T51-N53 PolarHBondContact O-N 3.18Å; T51-N53 VanDerWaalsContact O-N 3.13Å; T51-N53 PolarHBondContact OG1-N 3.15Å; T51-G54 PolarHBondContact N-O 3.12Å; T51-G54 PolarHBondContact O-N 3.42Å; T51-G54 VanDerWaalsContact O-N 3.1Å; T51-G54 PolarHBondContact OG1-O 3.03Å
52E70.7Confident73Confident132 Ų13259.2 Ų59.262%0.61733%0.328SS*.THydrogen-bonded Turntrans-61.3-17.5172.567.2-177.9152.600114.3K34K34-E52 VanDerWaalsContact CD-CD 3.41Å; K34-E52 HydrophobicContact CD-CG 4.33Å; K34-E52 WeakPolarHBondContact CD-OE1 3.34Å; K34-E52 VanDerWaalsContact CD-OE2 3.26Å; K34-E52 WeakPolarHBondContact CD-OE2 3.32Å; K34-E52 WeakPolarHBondContact CE-OE2 3.3Å; K34-E52 IonicContact NZ-OE1 3.2Å; K34-E52 PolarHBondContact NZ-OE1 3.38Å; K34-E52 IonicContact NZ-OE2 3.33Å; K34-E52 PolarHBondContact NZ-OE2 3.46Å
53N68.5Low73.5Confident145 Ų14559.5 Ų59.578%0.77532%0.32SS*.THydrogen-bonded Turntrans-97.62.8178-61.8-35.7000113.5T51T51-N53 PolarHBondContact O-N 3.18Å; T51-N53 VanDerWaalsContact O-N 3.13Å; T51-N53 PolarHBondContact OG1-N 3.15Å
54G74.3Confident74.1Confident18 Ų1854.2 Ų54.219%0.18629%0.289CS..EExtended strand (participates in β ladder)trans114.9-171.1-175.300000113.8T51 Y156T51-G54 PolarHBondContact N-O 3.12Å; T51-G54 PolarHBondContact O-N 3.42Å; T51-G54 VanDerWaalsContact O-N 3.1Å; T51-G54 PolarHBondContact OG1-O 3.03Å; G54-Y156 WeakPolarHBondContact CA-OXT 3.44Å
55L79.7Confident74.4Confident47 Ų4753 Ų5325%0.24628%0.284CS..EExtended strand (participates in β ladder)trans-78.3139-179.1-170.668.2000111.4V38 F48 L50 I155 Y156V38-L55 HydrophobicContact CG2-CD1 4.22Å; F48-L55 HydrophobicContact CB-CD1 4.27Å; F48-L55 HydrophobicContact CD1-CD2 4.25Å; F48-L55 HydrophobicContact CD1-CG 4.38Å; L50-L55 HydrophobicContact CB-CD1 4.45Å; L55-I155 CarbonylContact O-C 3.53Å; L55-I155 PolarHBondContact O-N 3.15Å; L55-Y156 WeakPolarHBondContact CB-OXT 3.42Å; L55-Y156 PolarHBondContact N-OXT 3.44Å
56S76.5Confident74.8Confident5 Ų551.4 Ų51.44%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-131144.7176.7-64.40000111.1F48 V49 I153F48-S56 CarbonylContact C-O 3.52Å; F48-S56 WeakPolarHBondContact CA-O 3.41Å; V49-S56 PolarHBondContact N-O 3.14Å; V49-S56 PolarHBondContact O-N 2.98Å; S56-I153 CarbonylContact C-O 3.44Å; S56-I153 VanDerWaalsContact CA-O 3.24Å; S56-I153 WeakPolarHBondContact CA-O 3.38Å
57L81.2Confident75.2Confident22 Ų2250.1 Ų50.112%0.11527%0.268CS..EExtended strand (participates in β ladder)trans-106.8137.1170174.165.7000109.9L46 F48 L59 I153 I155L46-L57 HydrophobicContact CB-CD1 4.07Å; L46-L57 HydrophobicContact CD2-CD1 4.33Å; F48-L57 HydrophobicContact CD1-CB 4.2Å; F48-L57 HydrophobicContact CD1-CD1 4.15Å; F48-L57 HydrophobicContact CE1-CB 4.18Å; F48-L57 HydrophobicContact CE1-CD1 4.02Å; F48-L57 HydrophobicContact CG-CD1 4.47Å; F48-L57 HydrophobicContact CZ-CD1 4.22Å; L57-L59 HydrophobicContact CD2-CD2 3.91Å; L57-L59 HydrophobicContact CD2-CG 4.48Å; L57-L59 HydrophobicContact CG-CD2 4.06Å; L57-L59 HydrophobicContact CG-CG 4.44Å; L57-I153 PolarHBondContact N-O 3.15Å; L57-I153 PolarHBondContact O-N 3.33Å; L57-I155 HydrophobicContact CB-CD1 3.42Å; L57-I155 VanDerWaalsContact CB-CD1 3.42Å; L57-I155 HydrophobicContact CB-CG1 4.04Å; L57-I155 HydrophobicContact CD2-CD1 4.04Å; L57-I155 HydrophobicContact CG-CD1 4.37Å
58I76.1Confident75.1Confident4 Ų450.4 Ų50.42%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-97.5124.2175.7-50.1176.8000108.5I16 C47 V49 F60 Y152I16-I58 HydrophobicContact CD1-CD1 3.61Å; I16-I58 HydrophobicContact CG2-CD1 4.41Å; C47-I58 HydrophobicContact CB-CB 4.14Å; C47-I58 HydrophobicContact CB-CD1 4.46Å; C47-I58 PolarHBondContact O-N 3.28Å; V49-I58 HydrophobicContact CG2-CD1 3.66Å; V49-I58 HydrophobicContact CG2-CG1 4.3Å; I58-F60 HydrophobicContact CB-CE2 4.23Å; I58-F60 HydrophobicContact CB-CZ 4.48Å; I58-F60 HydrophobicContact CG2-CD2 4.22Å; I58-F60 HydrophobicContact CG2-CE1 4.1Å; I58-F60 HydrophobicContact CG2-CE2 3.77Å; I58-F60 HydrophobicContact CG2-CZ 3.7Å; I58-Y152 HydrophobicContact CD1-CE1 3.68Å; I58-Y152 WeakPolarHBondContact CD1-OH 3.44Å; I58-Y152 HydrophobicContact CG1-CD1 4.05Å; I58-Y152 HydrophobicContact CG1-CE1 3.43Å; I58-Y152 VanDerWaalsContact CG1-CE1 3.43Å; I58-Y152 HydrophobicContact CG1-CE2 4.26Å; I58-Y152 HydrophobicContact CG2-CE2 4.11Å
59L75.2Confident74.9Confident33 Ų3349.5 Ų49.517%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-109.5114.5172.7-63.6-177.1000109.6L57 L62 F67 F151 I153L57-L59 HydrophobicContact CD2-CD2 3.91Å; L57-L59 HydrophobicContact CD2-CG 4.48Å; L57-L59 HydrophobicContact CG-CD2 4.06Å; L57-L59 HydrophobicContact CG-CG 4.44Å; L59-L62 HydrophobicContact CD1-CD2 4.05Å; L59-F67 HydrophobicContact CD1-CD2 3.64Å; L59-F67 HydrophobicContact CD1-CE2 3.81Å; L59-F67 HydrophobicContact CD1-CG 4.33Å; L59-F151 HydrophobicContact CB-CE1 4.2Å; L59-F151 HydrophobicContact CB-CZ 4.46Å; L59-F151 HydrophobicContact CD1-CE1 4.45Å; L59-F151 HydrophobicContact CD1-CZ 4Å; L59-F151 PolarHBondContact N-O 2.89Å; L59-I153 HydrophobicContact CD1-CD1 3.56Å; L59-I153 HydrophobicContact CD1-CG1 4.42Å; L59-I153 HydrophobicContact CG-CD1 4.4Å
60F74.5Confident74.9Confident41 Ų4156 Ų5618%0.1829%0.29CS..SBendtrans-86.6138.4-179.3-71.5-75.6000111.7L4 I16 L18 Q27 C47 I58 L62L4-F60 HydrophobicContact CD1-CE2 3.79Å; L4-F60 HydrophobicContact CD1-CZ 4.08Å; I16-F60 HydrophobicContact CG2-CZ 3.92Å; L18-F60 HydrophobicContact CB-CD1 3.84Å; L18-F60 HydrophobicContact CB-CD2 4.12Å; L18-F60 HydrophobicContact CB-CE1 3.92Å; L18-F60 HydrophobicContact CB-CE2 4.19Å; L18-F60 HydrophobicContact CB-CG 3.95Å; L18-F60 HydrophobicContact CB-CZ 4.1Å; L18-F60 HydrophobicContact CD2-CB 3.51Å; L18-F60 HydrophobicContact CD2-CD1 4.25Å; L18-F60 HydrophobicContact CD2-CD2 3.94Å; L18-F60 HydrophobicContact CD2-CG 3.64Å; L18-F60 HydrophobicContact CG-CD2 4.46Å; L18-F60 HydrophobicContact CG-CG 4.38Å; Q27-F60 HydrophobicContact CB-CD1 4.13Å; C47-F60 HydrophobicContact CB-CE2 3.97Å; I58-F60 HydrophobicContact CB-CE2 4.23Å; I58-F60 HydrophobicContact CB-CZ 4.48Å; I58-F60 HydrophobicContact CG2-CD2 4.22Å; I58-F60 HydrophobicContact CG2-CE1 4.1Å; I58-F60 HydrophobicContact CG2-CE2 3.77Å; I58-F60 HydrophobicContact CG2-CZ 3.7Å; F60-L62 PolarHBondContact O-N 3.22Å; F60-L62 VanDerWaalsContact O-N 3.16Å
61G70.3Confident75Confident45 Ų4554 Ų5446%0.46428%0.28SS..SBendtrans67.49.417500000115.7K149 D150G61-K149 CarbonylContact C-O 3.53Å; G61-D150 PolarHBondContact N-OD1 3.49Å
62L69.1Low75Confident40 Ų4054.1 Ų54.121%0.20928%0.279CS..  trans-120.4130.7-179.2-163.874.9000108.5L59 F60 E66 F67 K149 F151L59-L62 HydrophobicContact CD1-CD2 4.05Å; F60-L62 PolarHBondContact O-N 3.22Å; F60-L62 VanDerWaalsContact O-N 3.16Å; L62-E66 HydrophobicContact CD1-CB 4.17Å; L62-E66 HydrophobicContact CD1-CG 3.49Å; L62-E66 VanDerWaalsContact CD1-CG 3.49Å; L62-E66 HydrophobicContact CG-CB 4.5Å; L62-E66 HydrophobicContact CG-CG 4.31Å; L62-F67 HydrophobicContact CD2-CB 3.73Å; L62-F67 HydrophobicContact CD2-CD2 3.79Å; L62-F67 HydrophobicContact CD2-CG 4.24Å; L62-F67 HydrophobicContact CG-CB 4.3Å; L62-K149 CarbonylContact C-O 3.57Å; L62-K149 VanDerWaalsContact C-O 3.3Å; L62-K149 PolarHBondContact N-O 2.84Å; L62-F151 HydrophobicContact CB-CE1 4.39Å; L62-F151 WeakPolarHBondContact O-CD1 3.5Å; L62-F151 WeakPolarHBondContact O-CE1 3.05Å
63T72.4Confident75.2Confident55 Ų5552.2 Ų52.234%0.33727%0.271SS..  trans-84.7157.8174.863.90000111.2E65 E66 F67 F151T63-E65 PolarHBondContact O-N 3.37Å; T63-E66 PolarHBondContact O-N 3.15Å; T63-E66 WeakPolarHBondContact OG1-CB 3.11Å; T63-E66 PolarHBondContact OG1-N 3.06Å; T63-E66 VanDerWaalsContact OG1-N 3.14Å; T63-F67 PolarHBondContact O-N 2.94Å; T63-F151 WeakPolarHBondContact O-CE1 3.49Å
64Q73.2Confident75.6Confident73 Ų7352.8 Ų52.834%0.34127%0.269SS..Hα-helixtrans-53.5-41.3173.3-173.6-163.4-38.500111.6L68 W89 F151Q64-L68 HydrophobicContact CG-CD1 3.96Å; Q64-L68 VanDerWaalsContact O-CB 3.32Å; Q64-L68 WeakPolarHBondContact O-CB 3.09Å; Q64-L68 VanDerWaalsContact O-CG 3.22Å; Q64-L68 WeakPolarHBondContact O-CG 3.3Å; Q64-L68 PolarHBondContact O-N 3.5Å; Q64-W89 VanDerWaalsContact CD-CD2 3.49Å; Q64-W89 HydrophobicContact CG-CD2 3.79Å; Q64-W89 HydrophobicContact CG-CE3 3.82Å; Q64-W89 HydrophobicContact CG-CH2 3.89Å; Q64-W89 HydrophobicContact CG-CZ2 3.85Å; Q64-W89 HydrophobicContact CG-CZ3 3.83Å; Q64-W89 VanDerWaalsContact NE2-CD2 3.26Å; Q64-F151 HydrophobicContact CB-CD1 4.44Å; Q64-F151 HydrophobicContact CB-CD2 4.08Å; Q64-F151 HydrophobicContact CB-CE2 4.32Å; Q64-F151 HydrophobicContact CB-CG 4.16Å; Q64-F151 HydrophobicContact CG-CD2 4.36Å; Q64-F151 HydrophobicContact CG-CE2 4.43Å
65E71.4Confident75.7Confident120 Ų12054 Ų5456%0.56128%0.281SS*.Hα-helixtrans-65.3-46.6177.5-175.8177.4178.100112.2T63 F67 L68 N69T63-E65 PolarHBondContact O-N 3.37Å; E65-F67 VanDerWaalsContact C-N 3.34Å; E65-F67 PolarHBondContact O-N 2.95Å; E65-L68 PolarHBondContact O-N 2.93Å; E65-N69 VanDerWaalsContact O-CB 3.31Å; E65-N69 WeakPolarHBondContact O-CB 3.35Å; E65-N69 PolarHBondContact O-N 3.15Å; E65-N69 PolarHBondContact O-ND2 3.2Å
66E75.1Confident75.5Confident70 Ų7053.9 Ų53.933%0.32729%0.285SS..Hα-helixtrans-64.3-39.4177.8177.664.4-171.100111.5L62 T63 R70L62-E66 HydrophobicContact CD1-CB 4.17Å; L62-E66 HydrophobicContact CD1-CG 3.49Å; L62-E66 VanDerWaalsContact CD1-CG 3.49Å; L62-E66 HydrophobicContact CG-CB 4.5Å; L62-E66 HydrophobicContact CG-CG 4.31Å; T63-E66 PolarHBondContact O-N 3.15Å; T63-E66 WeakPolarHBondContact OG1-CB 3.11Å; T63-E66 PolarHBondContact OG1-N 3.06Å; T63-E66 VanDerWaalsContact OG1-N 3.14Å; E66-R70 WeakPolarHBondContact O-CG 3.38Å; E66-R70 PolarHBondContact O-N 2.82Å; E66-R70 IonicContact OE1-CZ 3.23Å; E66-R70 VanDerWaalsContact OE1-CZ 3.23Å; E66-R70 IonicContact OE1-NE 2.74Å; E66-R70 PolarHBondContact OE1-NE 3.03Å; E66-R70 IonicContact OE1-NH2 2.82Å; E66-R70 PolarHBondContact OE1-NH2 3.09Å
67F79.9Confident75.3Confident35 Ų3556.4 Ų56.415%0.15431%0.306CS..Hα-helixtrans-62.4-50.5173.8178.8-101.1000111.9L59 L62 T63 E65 N69 R70 L71 L83 W89 F151 I153L59-F67 HydrophobicContact CD1-CD2 3.64Å; L59-F67 HydrophobicContact CD1-CE2 3.81Å; L59-F67 HydrophobicContact CD1-CG 4.33Å; L62-F67 HydrophobicContact CD2-CB 3.73Å; L62-F67 HydrophobicContact CD2-CD2 3.79Å; L62-F67 HydrophobicContact CD2-CG 4.24Å; L62-F67 HydrophobicContact CG-CB 4.3Å; T63-F67 PolarHBondContact O-N 2.94Å; E65-F67 VanDerWaalsContact C-N 3.34Å; E65-F67 PolarHBondContact O-N 2.95Å; F67-N69 VanDerWaalsContact C-N 3.33Å; F67-N69 PolarHBondContact O-N 3.17Å; F67-R70 PolarHBondContact O-N 2.98Å; F67-L71 HydrophobicContact CE1-CD2 4.05Å; F67-L71 HydrophobicContact CE2-CD1 4.47Å; F67-L71 HydrophobicContact CZ-CD1 4.02Å; F67-L71 HydrophobicContact CZ-CD2 4.26Å; F67-L71 WeakPolarHBondContact O-CB 3.47Å; F67-L71 PolarHBondContact O-N 2.03Å; F67-L83 HydrophobicContact CE1-CD1 3.94Å; F67-L83 HydrophobicContact CE1-CD2 4.04Å; F67-L83 HydrophobicContact CZ-CD1 4.25Å; F67-W89 HydrophobicContact CD1-CH2 4.35Å; F67-W89 HydrophobicContact CD1-CZ3 4.46Å; F67-F151 HydrophobicContact CB-CE1 4.06Å; F67-F151 HydrophobicContact CB-CE2 4.48Å; F67-F151 HydrophobicContact CB-CZ 3.49Å; F67-F151 VanDerWaalsContact CB-CZ 3.49Å; F67-F151 HydrophobicContact CD1-CE2 4.42Å; F67-F151 HydrophobicContact CD1-CZ 4.08Å; F67-F151 HydrophobicContact CD2-CZ 4.44Å; F67-F151 AromaticContact CG-CZ 3.75Å; F67-F151 HydrophobicContact CG-CZ 3.75Å; F67-I153 HydrophobicContact CD1-CD1 3.83Å; F67-I153 HydrophobicContact CD2-CD1 4.22Å; F67-I153 HydrophobicContact CE1-CD1 3.37Å; F67-I153 HydrophobicContact CE2-CD1 3.81Å; F67-I153 HydrophobicContact CG-CD1 4.24Å; F67-I153 HydrophobicContact CZ-CD1 3.36Å
68L76.3Confident75.1Confident12 Ų1259 Ų596%0.06333%0.326CS..Hα-helixtrans-60.6-41.3177.8-76.5169.7000112Q64 E65 L71 M72 V80 W89 C92Q64-L68 HydrophobicContact CG-CD1 3.96Å; Q64-L68 VanDerWaalsContact O-CB 3.32Å; Q64-L68 WeakPolarHBondContact O-CB 3.09Å; Q64-L68 VanDerWaalsContact O-CG 3.22Å; Q64-L68 WeakPolarHBondContact O-CG 3.3Å; Q64-L68 PolarHBondContact O-N 3.5Å; E65-L68 PolarHBondContact O-N 2.93Å; L68-L71 PolarHBondContact O-N 2.97Å; L68-M72 WeakPolarHBondContact O-CB 3.32Å; L68-M72 VanDerWaalsContact O-CG 3.31Å; L68-M72 WeakPolarHBondContact O-CG 3.31Å; L68-M72 PolarHBondContact O-N 2.91Å; L68-V80 HydrophobicContact CD2-CG1 3.85Å; L68-W89 HydrophobicContact CD1-CE3 3.84Å; L68-W89 HydrophobicContact CD1-CZ3 4.06Å; L68-W89 HydrophobicContact CD2-CE3 3.93Å; L68-W89 HydrophobicContact CD2-CZ3 3.71Å; L68-W89 HydrophobicContact CG-CE3 4.1Å; L68-W89 HydrophobicContact CG-CZ3 3.83Å; L68-C92 HydrophobicContact CD1-CB 4.25Å
69N76.1Confident75.3Confident24 Ų2462.2 Ų62.213%0.12835%0.346CS..Hα-helixtrans-61.2-46.9175.9-71.3-19.4000111.1E65 F67 L71 M72 I73 P95E65-N69 VanDerWaalsContact O-CB 3.31Å; E65-N69 WeakPolarHBondContact O-CB 3.35Å; E65-N69 PolarHBondContact O-N 3.15Å; E65-N69 PolarHBondContact O-ND2 3.2Å; F67-N69 VanDerWaalsContact C-N 3.33Å; F67-N69 PolarHBondContact O-N 3.17Å; N69-L71 VanDerWaalsContact C-N 3.35Å; N69-L71 PolarHBondContact O-N 3.33Å; N69-M72 PolarHBondContact O-N 3.18Å; N69-I73 WeakPolarHBondContact O-CD1 3.3Å; N69-I73 VanDerWaalsContact O-CG1 3.27Å; N69-I73 WeakPolarHBondContact O-CG1 3.41Å; N69-I73 PolarHBondContact O-N 3.14Å; N69-P95 WeakPolarHBondContact OD1-CB 3.3Å; N69-P95 WeakPolarHBondContact OD1-CG 3.47Å
70R80.3Confident75.4Confident136 Ų13660.7 Ų60.751%0.51334%0.338SS..Hα-helixtrans-63.5-38.9175.2-72.4-178-173.8-127.5-3.3112.7E66 F67 M72 I73 H74E66-R70 WeakPolarHBondContact O-CG 3.38Å; E66-R70 PolarHBondContact O-N 2.82Å; E66-R70 IonicContact OE1-CZ 3.23Å; E66-R70 VanDerWaalsContact OE1-CZ 3.23Å; E66-R70 IonicContact OE1-NE 2.74Å; E66-R70 PolarHBondContact OE1-NE 3.03Å; E66-R70 IonicContact OE1-NH2 2.82Å; E66-R70 PolarHBondContact OE1-NH2 3.09Å; F67-R70 PolarHBondContact O-N 2.98Å; R70-M72 VanDerWaalsContact C-N 3.33Å; R70-I73 PolarHBondContact O-N 3.33Å; R70-H74 WeakPolarHBondContact O-CB 3.09Å; R70-H74 PolarHBondContact O-CD2 3.24Å; R70-H74 PolarHBondContact O-N 3.23Å
71L78.9Confident75.4Confident38 Ų3861.8 Ų61.820%0.19935%0.346CS..Hα-helixtrans-70.6-29.4178.4-149.979000112.1F67 L68 N69 G75 T79 V80 L83F67-L71 HydrophobicContact CE1-CD2 4.05Å; F67-L71 HydrophobicContact CE2-CD1 4.47Å; F67-L71 HydrophobicContact CZ-CD1 4.02Å; F67-L71 HydrophobicContact CZ-CD2 4.26Å; F67-L71 WeakPolarHBondContact O-CB 3.47Å; F67-L71 PolarHBondContact O-N 2.03Å; L68-L71 PolarHBondContact O-N 2.97Å; N69-L71 VanDerWaalsContact C-N 3.35Å; N69-L71 PolarHBondContact O-N 3.33Å; L71-G75 CarbonylContact O-C 3.54Å; L71-G75 WeakPolarHBondContact O-CA 3.22Å; L71-G75 PolarHBondContact O-N 3.26Å; L71-T79 HydrophobicContact CD2-CG2 4.18Å; L71-V80 HydrophobicContact CB-CG2 3.83Å; L71-V80 HydrophobicContact CD2-CG2 3.78Å; L71-V80 HydrophobicContact CG-CG2 3.95Å; L71-L83 HydrophobicContact CD2-CD1 4.15Å
72M75.1Confident75.7Confident42 Ų4263.2 Ų63.221%0.20735%0.346CS..Hα-helixtrans-71.4-33170.1-77-65.8-61.500113L68 N69 R70 A77 V80 P95L68-M72 WeakPolarHBondContact O-CB 3.32Å; L68-M72 VanDerWaalsContact O-CG 3.31Å; L68-M72 WeakPolarHBondContact O-CG 3.31Å; L68-M72 PolarHBondContact O-N 2.91Å; N69-M72 PolarHBondContact O-N 3.18Å; R70-M72 VanDerWaalsContact C-N 3.33Å; M72-A77 HydrophobicContact SD-CB 4.46Å; M72-V80 HydrophobicContact CG-CG1 4.2Å; M72-V80 HydrophobicContact CG-CG2 3.93Å; M72-V80 HydrophobicContact SD-CB 3.9Å; M72-V80 HydrophobicContact SD-CG1 3.79Å; M72-V80 HydrophobicContact SD-CG2 3.73Å; M72-P95 HydrophobicContact CB-CG 4.36Å
73I74.6Confident76.1Confident91 Ų9162.3 Ų62.347%0.46734%0.341SS..Hα-helixtrans-79.1-44.1178.2-64.3161.2000111.7N69 R70 H97N69-I73 WeakPolarHBondContact O-CD1 3.3Å; N69-I73 VanDerWaalsContact O-CG1 3.27Å; N69-I73 WeakPolarHBondContact O-CG1 3.41Å; N69-I73 PolarHBondContact O-N 3.14Å; R70-I73 PolarHBondContact O-N 3.33Å; I73-H97 WeakPolarHBondContact CG1-NE2 3.45Å
74H78.3Confident76.2Confident157 Ų15760 Ų6073%0.72733%0.327SS*.Hα-helixtrans-108.7-14.6-168.9-61.7-67.3000114.7R70R70-H74 WeakPolarHBondContact O-CB 3.09Å; R70-H74 PolarHBondContact O-CD2 3.24Å; R70-H74 PolarHBondContact O-N 3.23Å
75G76.4Confident76.2Confident43 Ų4362.8 Ų62.844%0.44334%0.34SS..SBendtrans-108.5-15717800000112.3L71L71-G75 CarbonylContact O-C 3.54Å; L71-G75 WeakPolarHBondContact O-CA 3.22Å; L71-G75 PolarHBondContact O-N 3.26Å
76S74.1Confident76.2Confident45 Ų4560 Ų6032%0.31533%0.328SS..  trans-107.2146.9172.573.80000111.5S78 T79 V80S76-S78 PolarHBondContact O-N 2.92Å; S76-S78 PolarHBondContact OG-OG 2.87Å; S76-T79 WeakPolarHBondContact O-CB 3.34Å; S76-T79 PolarHBondContact O-N 3.35Å; S76-T79 WeakPolarHBondContact OG-CB 3.24Å; S76-T79 PolarHBondContact OG-N 3.26Å; S76-T79 PolarHBondContact OG-OG1 3.01Å; S76-V80 PolarHBondContact O-N 3.26Å; S76-V80 VanDerWaalsContact O-N 3.07Å
77A73.9Confident76.1Confident59 Ų5958 Ų5849%0.48832%0.32SS..Hα-helixtrans-55.9-30.517100000112.5M72 V80 D81M72-A77 HydrophobicContact SD-CB 4.46Å; A77-V80 PolarHBondContact O-N 2.84Å; A77-D81 VanDerWaalsContact O-CB 3.3Å; A77-D81 WeakPolarHBondContact O-CB 3.31Å; A77-D81 PolarHBondContact O-N 3.46Å
78S77.1Confident75.4Confident77 Ų7759.5 Ų59.554%0.53835%0.346SS..Hα-helixtrans-69.3-33.617455.40000113.8S76 T82S76-S78 PolarHBondContact O-N 2.92Å; S76-S78 PolarHBondContact OG-OG 2.87Å; S78-T82 WeakPolarHBondContact O-CB 3.41Å; S78-T82 PolarHBondContact O-N 3.18Å; S78-T82 PolarHBondContact O-OG1 2.91Å
79T79.6Confident75.3Confident70 Ų7060.7 Ų60.743%0.42935%0.349SS..Hα-helixtrans-70.3-42.9174.7-55.30000109.8L71 S76 T82 L83L71-T79 HydrophobicContact CD2-CG2 4.18Å; S76-T79 WeakPolarHBondContact O-CB 3.34Å; S76-T79 PolarHBondContact O-N 3.35Å; S76-T79 WeakPolarHBondContact OG-CB 3.24Å; S76-T79 PolarHBondContact OG-N 3.26Å; S76-T79 PolarHBondContact OG-OG1 3.01Å; T79-T82 PolarHBondContact O-N 3.47Å; T79-L83 VanDerWaalsContact O-CB 3.24Å; T79-L83 WeakPolarHBondContact O-CB 3.48Å; T79-L83 PolarHBondContact O-N 3.34Å
80V77.4Confident74.7Confident2 Ų262.6 Ų62.61%0.01237%0.374CS..Hα-helixtrans-58.7-53.5173.6172.10000110.7L68 L71 M72 S76 A77 T82 L83 C84 C92L68-V80 HydrophobicContact CD2-CG1 3.85Å; L71-V80 HydrophobicContact CB-CG2 3.83Å; L71-V80 HydrophobicContact CD2-CG2 3.78Å; L71-V80 HydrophobicContact CG-CG2 3.95Å; M72-V80 HydrophobicContact CG-CG1 4.2Å; M72-V80 HydrophobicContact CG-CG2 3.93Å; M72-V80 HydrophobicContact SD-CB 3.9Å; M72-V80 HydrophobicContact SD-CG1 3.79Å; M72-V80 HydrophobicContact SD-CG2 3.73Å; S76-V80 PolarHBondContact O-N 3.26Å; S76-V80 VanDerWaalsContact O-N 3.07Å; A77-V80 PolarHBondContact O-N 2.84Å; V80-T82 PolarHBondContact O-N 3.43Å; V80-L83 PolarHBondContact O-N 3.4Å; V80-C84 WeakPolarHBondContact O-CB 3.27Å; V80-C84 PolarHBondContact O-N 3.49Å; V80-C84 PolarHBondContact O-SG 3.4Å; V80-C92 HydrophobicContact CG1-CB 4.45Å
81D74.4Confident73.6Confident63 Ų6362.6 Ų62.634%0.33737%0.374SS..Hα-helixtrans-57.5-46.3179.8-176.578000112.1A77 L83 C84 H85A77-D81 VanDerWaalsContact O-CB 3.3Å; A77-D81 WeakPolarHBondContact O-CB 3.31Å; A77-D81 PolarHBondContact O-N 3.46Å; D81-L83 PolarHBondContact O-N 2.85Å; D81-C84 PolarHBondContact O-N 3.18Å; D81-H85 PolarHBondContact O-N 3.27Å; D81-H85 PolarHBondContact O-ND1 3.39Å; D81-H85 IonicContact OD1-CE1 3.82Å; D81-H85 PolarHBondContact OD1-CE1 3.46Å; D81-H85 IonicContact OD1-ND1 3.17Å; D81-H85 IonicContact OD2-CE1 3.66Å; D81-H85 PolarHBondContact OD2-CE1 3.29Å; D81-H85 IonicContact OD2-ND1 2.66Å; D81-H85 PolarHBondContact OD2-ND1 2.84Å
82T77.2Confident72.5Confident75 Ų7561.3 Ų61.346%0.4637%0.368SS..Hα-helixtrans-56.8-53.3174.5-56.40000110.6S78 T79 V80 C84 H85 L86S78-T82 WeakPolarHBondContact O-CB 3.41Å; S78-T82 PolarHBondContact O-N 3.18Å; S78-T82 PolarHBondContact O-OG1 2.91Å; T79-T82 PolarHBondContact O-N 3.47Å; V80-T82 PolarHBondContact O-N 3.43Å; T82-C84 VanDerWaalsContact C-N 3.31Å; T82-C84 PolarHBondContact O-N 2.93Å; T82-H85 WeakPolarHBondContact O-CA 3.45Å; T82-H85 WeakPolarHBondContact O-CB 3.28Å; T82-H85 PolarHBondContact O-N 3.29Å; T82-L86 HydrophobicContact CG2-CD1 4.36Å; T82-L86 HydrophobicContact CG2-CG 4.28Å; T82-L86 WeakPolarHBondContact O-CG 2.82Å; T82-L86 PolarHBondContact O-N 2.74Å
83L77.5Confident71.4Confident21 Ų2161.4 Ų61.411%0.1137%0.373CS..Hα-helixtrans-64.3-34.8-175.5-165.1152.7000112.2F67 L71 T79 V80 D81 L86 N87 W89 I153F67-L83 HydrophobicContact CE1-CD1 3.94Å; F67-L83 HydrophobicContact CE1-CD2 4.04Å; F67-L83 HydrophobicContact CZ-CD1 4.25Å; L71-L83 HydrophobicContact CD2-CD1 4.15Å; T79-L83 VanDerWaalsContact O-CB 3.24Å; T79-L83 WeakPolarHBondContact O-CB 3.48Å; T79-L83 PolarHBondContact O-N 3.34Å; V80-L83 PolarHBondContact O-N 3.4Å; D81-L83 PolarHBondContact O-N 2.85Å; L83-L86 PolarHBondContact O-N 3.49Å; L83-N87 PolarHBondContact O-N 3Å; L83-N87 PolarHBondContact O-ND2 3.49Å; L83-W89 HydrophobicContact CD2-CE3 3.95Å; L83-W89 HydrophobicContact CD2-CH2 3.33Å; L83-W89 HydrophobicContact CD2-CZ2 4.31Å; L83-W89 HydrophobicContact CD2-CZ3 3.14Å; L83-I153 HydrophobicContact CD1-CG2 4.09Å; L83-I153 HydrophobicContact CD2-CG2 4.21Å; L83-I153 HydrophobicContact CG-CG2 4.22Å
84C73.8Confident70.5Confident6 Ų657.3 Ų57.34%0.04135%0.352CS..Hα-helixtrans-62.9-45.1171.1-61.80000111.6V80 D81 T82 N87 G88 W89 C92V80-C84 WeakPolarHBondContact O-CB 3.27Å; V80-C84 PolarHBondContact O-N 3.49Å; V80-C84 PolarHBondContact O-SG 3.4Å; D81-C84 PolarHBondContact O-N 3.18Å; T82-C84 VanDerWaalsContact C-N 3.31Å; T82-C84 PolarHBondContact O-N 2.93Å; C84-N87 PolarHBondContact O-N 2.81Å; C84-G88 PolarHBondContact O-N 3.07Å; C84-W89 HydrophobicContact CB-CB 4.33Å; C84-W89 PolarHBondContact O-N 3.17Å; C84-C92 HydrophobicContact CB-CB 4.32Å; C84-C92 WeakPolarHBondContact CB-SG 3.44Å; C84-C92 WeakPolarHBondContact SG-CB 3.38Å; C84-C92 CovalentContact SG-SG 2.03Å; C84-C92 PolarHBondContact SG-SG 3.05Å
85H72.8Confident69.5Low133 Ų13350.3 Ų50.362%0.61632%0.321SS*.Hα-helixtrans-62.3-43.9174.9-73.1106.6000112.7D81 T82 N87 G88D81-H85 PolarHBondContact O-N 3.27Å; D81-H85 PolarHBondContact O-ND1 3.39Å; D81-H85 IonicContact OD1-CE1 3.82Å; D81-H85 PolarHBondContact OD1-CE1 3.46Å; D81-H85 IonicContact OD1-ND1 3.17Å; D81-H85 IonicContact OD2-CE1 3.66Å; D81-H85 PolarHBondContact OD2-CE1 3.29Å; D81-H85 IonicContact OD2-ND1 2.66Å; D81-H85 PolarHBondContact OD2-ND1 2.84Å; T82-H85 WeakPolarHBondContact O-CA 3.45Å; T82-H85 WeakPolarHBondContact O-CB 3.28Å; T82-H85 PolarHBondContact O-N 3.29Å; H85-N87 VanDerWaalsContact C-N 3.32Å; H85-N87 PolarHBondContact O-N 2.86Å; H85-G88 PolarHBondContact O-N 2.97Å
86L72Confident68.7Low60 Ų6053.6 Ų53.631%0.31433%0.327SS..Hα-helixtrans-60.3-40.5179.8-63.6-172.5000112.9T82 L83 G88 Y156T82-L86 HydrophobicContact CG2-CD1 4.36Å; T82-L86 HydrophobicContact CG2-CG 4.28Å; T82-L86 WeakPolarHBondContact O-CG 2.82Å; T82-L86 PolarHBondContact O-N 2.74Å; L83-L86 PolarHBondContact O-N 3.49Å; L86-G88 VanDerWaalsContact C-N 3.35Å; L86-Y156 HydrophobicContact CD1-CD2 3.88Å; L86-Y156 HydrophobicContact CD1-CE2 3.46Å; L86-Y156 VanDerWaalsContact CD1-CE2 3.46Å; L86-Y156 HydrophobicContact CD2-CE2 3.43Å; L86-Y156 VanDerWaalsContact CD2-CE2 3.43Å; L86-Y156 VanDerWaalsContact CD2-CZ 3.44Å; L86-Y156 WeakPolarHBondContact CD2-OH 3.48Å; L86-Y156 HydrophobicContact CG-CE2 4.07Å
87N71.7Confident68Low28 Ų2855.2 Ų55.215%0.1533%0.329CS..THydrogen-bonded Turntrans-92.95.1-174.6-69.7-89000113.1L83 C84 H85 W89 I153 C154L83-N87 PolarHBondContact O-N 3Å; L83-N87 PolarHBondContact O-ND2 3.49Å; C84-N87 PolarHBondContact O-N 2.81Å; H85-N87 VanDerWaalsContact C-N 3.32Å; H85-N87 PolarHBondContact O-N 2.86Å; N87-W89 HydrophobicContact CB-CD2 3.77Å; N87-W89 VanDerWaalsContact CB-CE2 3.41Å; N87-W89 HydrophobicContact CB-CG 3.86Å; N87-W89 HydrophobicContact CB-CZ2 3.9Å; N87-W89 VanDerWaalsContact CB-NE1 3.33Å; N87-W89 VanDerWaalsContact O-CD1 3.31Å; N87-W89 PolarHBondContact O-N 2.81Å; N87-W89 VanDerWaalsContact O-N 3.15Å; N87-I153 WeakPolarHBondContact OD1-CA 3.26Å; N87-C154 WeakPolarHBondContact OD1-CB 3.46Å; N87-C154 PolarHBondContact OD1-N 2.87Å
88G67.1Low67.6Low68 Ų6853.4 Ų53.470%0.70131%0.314SS*.THydrogen-bonded Turntrans6119.7-174.800000113.5C84 H85 L86 G90C84-G88 PolarHBondContact O-N 3.07Å; H85-G88 PolarHBondContact O-N 2.97Å; L86-G88 VanDerWaalsContact C-N 3.35Å; G88-G90 PolarHBondContact O-N 3.04Å
89W73.2Confident67.2Low37 Ų3751 Ų5114%0.1430%0.295CS..  trans-69.5125.8178.1-62.5-12.8000108.7Q64 F67 L68 L83 C84 N87 F151 I153Q64-W89 VanDerWaalsContact CD-CD2 3.49Å; Q64-W89 HydrophobicContact CG-CD2 3.79Å; Q64-W89 HydrophobicContact CG-CE3 3.82Å; Q64-W89 HydrophobicContact CG-CH2 3.89Å; Q64-W89 HydrophobicContact CG-CZ2 3.85Å; Q64-W89 HydrophobicContact CG-CZ3 3.83Å; Q64-W89 VanDerWaalsContact NE2-CD2 3.26Å; F67-W89 HydrophobicContact CD1-CH2 4.35Å; F67-W89 HydrophobicContact CD1-CZ3 4.46Å; L68-W89 HydrophobicContact CD1-CE3 3.84Å; L68-W89 HydrophobicContact CD1-CZ3 4.06Å; L68-W89 HydrophobicContact CD2-CE3 3.93Å; L68-W89 HydrophobicContact CD2-CZ3 3.71Å; L68-W89 HydrophobicContact CG-CE3 4.1Å; L68-W89 HydrophobicContact CG-CZ3 3.83Å; L83-W89 HydrophobicContact CD2-CE3 3.95Å; L83-W89 HydrophobicContact CD2-CH2 3.33Å; L83-W89 HydrophobicContact CD2-CZ2 4.31Å; L83-W89 HydrophobicContact CD2-CZ3 3.14Å; C84-W89 HydrophobicContact CB-CB 4.33Å; C84-W89 PolarHBondContact O-N 3.17Å; N87-W89 HydrophobicContact CB-CD2 3.77Å; N87-W89 VanDerWaalsContact CB-CE2 3.41Å; N87-W89 HydrophobicContact CB-CG 3.86Å; N87-W89 HydrophobicContact CB-CZ2 3.9Å; N87-W89 VanDerWaalsContact CB-NE1 3.33Å; N87-W89 VanDerWaalsContact O-CD1 3.31Å; N87-W89 PolarHBondContact O-N 2.81Å; N87-W89 VanDerWaalsContact O-N 3.15Å; W89-F151 HydrophobicContact CH2-CD2 4.14Å; W89-F151 AromaticContact CH2-CE2 3.59Å; W89-F151 HydrophobicContact CH2-CE2 3.59Å; W89-F151 AromaticContact CZ2-CD2 3.77Å; W89-F151 HydrophobicContact CZ2-CD2 3.77Å; W89-F151 AromaticContact CZ2-CE2 3.71Å; W89-F151 HydrophobicContact CZ2-CE2 3.71Å; W89-I153 HydrophobicContact CH2-CG1 4.1Å; W89-I153 HydrophobicContact CZ2-CG1 4.35Å
90G62.9Low66.4Low63 Ų6352.4 Ų52.465%0.64930%0.297SS*.  trans-56153.117600000111.5G88 C92G88-G90 PolarHBondContact O-N 3.04Å; G90-C92 PolarHBondContact O-N 3.19Å
91R57.7Low66.2Low136 Ų13654.1 Ų54.151%0.51331%0.312SS..SBendtrans-34.3107.4-173.4-70.1-174.3-172.91574.3112S93 K116 E119R91-S93 PolarHBondContact O-N 3.2Å; R91-K116 VanDerWaalsContact CD-O 3.31Å; R91-K116 WeakPolarHBondContact CD-O 3.1Å; R91-K116 PolarHBondContact NH1-O 2.61Å; R91-E119 IonicContact CZ-OE2 3.74Å; R91-E119 IonicContact NH1-OE2 2.91Å; R91-E119 PolarHBondContact NH1-OE2 2.81Å; R91-E119 IonicContact NH2-OE2 2.61Å
92C56.5Low66.2Low11 Ų1151.2 Ų51.27%0.07430%0.296CS..  trans-61.9127.2-165.9-75.10000111.3L68 V80 C84 G90 I94 S117L68-C92 HydrophobicContact CD1-CB 4.25Å; V80-C92 HydrophobicContact CG1-CB 4.45Å; C84-C92 HydrophobicContact CB-CB 4.32Å; C84-C92 WeakPolarHBondContact CB-SG 3.44Å; C84-C92 WeakPolarHBondContact SG-CB 3.38Å; C84-C92 CovalentContact SG-SG 2.03Å; C84-C92 PolarHBondContact SG-SG 3.05Å; G90-C92 PolarHBondContact O-N 3.19Å; C92-I94 PolarHBondContact O-N 2.91Å; C92-S117 WeakPolarHBondContact O-CB 3.41Å
93S51.7Low66.2Low44 Ų4452.6 Ų52.631%0.30830%0.3SS..  trans-70.8115.8-177.551.20000110.1R91R91-S93 PolarHBondContact O-N 3.2Å
94I55.6Low66.2Low6 Ų659 Ų593%0.03133%0.329CS..  trans-60131.3173.7-59.6-176.9000108.7C92 A98 T110 F113 F114C92-I94 PolarHBondContact O-N 2.91Å; I94-A98 HydrophobicContact CG2-CB 3.55Å; I94-T110 HydrophobicContact CD1-CG2 4.2Å; I94-T110 WeakPolarHBondContact CD1-O 3.33Å; I94-F113 HydrophobicContact CD1-CB 3.8Å; I94-F113 HydrophobicContact CD1-CD1 3.4Å; I94-F113 HydrophobicContact CD1-CE1 4.37Å; I94-F113 HydrophobicContact CD1-CG 3.99Å; I94-F113 HydrophobicContact CG1-CD1 3.58Å; I94-F113 HydrophobicContact CG1-CE1 4.09Å; I94-F113 HydrophobicContact CG1-CG 4.46Å; I94-F114 HydrophobicContact CB-CB 4.21Å; I94-F114 HydrophobicContact CB-CD2 3.8Å; I94-F114 HydrophobicContact CB-CG 4.45Å; I94-F114 HydrophobicContact CD1-CB 3.92Å; I94-F114 HydrophobicContact CG1-CB 4.4Å; I94-F114 HydrophobicContact CG2-CD2 4.24Å; I94-F114 WeakPolarHBondContact O-CD2 3.45Å; I94-F114 VanDerWaalsContact O-CE2 3.24Å; I94-F114 WeakPolarHBondContact O-CE2 3.4Å
95P57.6Low66.5Low10 Ų1063.7 Ų63.77%0.06535%0.354CS..  trans-62.6148.7174.419.1-28.2000112N69 M72 H97 A98 L99N69-P95 WeakPolarHBondContact OD1-CB 3.3Å; N69-P95 WeakPolarHBondContact OD1-CG 3.47Å; M72-P95 HydrophobicContact CB-CG 4.36Å; P95-H97 WeakPolarHBondContact CB-CE1 3.14Å; P95-H97 WeakPolarHBondContact CB-NE2 3.04Å; P95-H97 VanDerWaalsContact CG-NE2 3.3Å; P95-H97 WeakPolarHBondContact CG-NE2 3.49Å; P95-H97 PolarHBondContact O-N 3.16Å; P95-H97 VanDerWaalsContact O-N 3.15Å; P95-A98 HydrophobicContact CG-CB 3.98Å; P95-A98 PolarHBondContact O-N 2.74Å; P95-L99 PolarHBondContact O-N 3.13Å; P95-L99 VanDerWaalsContact O-N 3.15Å
96I59.6Low67Low111 Ų11167.8 Ų67.857%0.56936%0.364SS*.Hα-helixtrans-58.9-33.5-174.9-162.1163.1000113A98 L99 E100I96-A98 VanDerWaalsContact C-N 3.32Å; I96-A98 PolarHBondContact O-N 3.26Å; I96-L99 CarbonylContact O-C 3.59Å; I96-L99 WeakPolarHBondContact O-CA 3.13Å; I96-L99 WeakPolarHBondContact O-CB 3.48Å; I96-L99 PolarHBondContact O-N 2.77Å; I96-L99 VanDerWaalsContact O-N 3.13Å; I96-E100 VanDerWaalsContact O-CG 3.3Å; I96-E100 WeakPolarHBondContact O-CG 3.5Å; I96-E100 PolarHBondContact O-N 2.87Å
97H59.5Low67.5Low79 Ų7969.7 Ų69.737%0.36637%0.371SS..Hα-helixtrans-65.8-30.1175.456.1-110.1000113.8I73 P95 E100 A101I73-H97 WeakPolarHBondContact CG1-NE2 3.45Å; P95-H97 WeakPolarHBondContact CB-CE1 3.14Å; P95-H97 WeakPolarHBondContact CB-NE2 3.04Å; P95-H97 VanDerWaalsContact CG-NE2 3.3Å; P95-H97 WeakPolarHBondContact CG-NE2 3.49Å; P95-H97 PolarHBondContact O-N 3.16Å; P95-H97 VanDerWaalsContact O-N 3.15Å; H97-E100 WeakPolarHBondContact CA-OE2 3.39Å; H97-A101 WeakPolarHBondContact O-CB 3.39Å; H97-A101 PolarHBondContact O-N 2.82Å
98A64.3Low67.8Low21 Ų2174.8 Ų74.817%0.17440%0.398CS..Hα-helixtrans-79.8-27.2174.200000111.6I94 P95 I96 G102 T110I94-A98 HydrophobicContact CG2-CB 3.55Å; P95-A98 HydrophobicContact CG-CB 3.98Å; P95-A98 PolarHBondContact O-N 2.74Å; I96-A98 VanDerWaalsContact C-N 3.32Å; I96-A98 PolarHBondContact O-N 3.26Å; A98-G102 PolarHBondContact O-N 3.4Å; A98-T110 WeakPolarHBondContact O-CG2 3.37Å
99L68.4Low68.1Low26 Ų2677.9 Ų77.914%0.13640%0.398CS..Hα-helixtrans-68.3-45.216617666.1000111.4P95 I96 G102 I103 V111 F114P95-L99 PolarHBondContact O-N 3.13Å; P95-L99 VanDerWaalsContact O-N 3.15Å; I96-L99 CarbonylContact O-C 3.59Å; I96-L99 WeakPolarHBondContact O-CA 3.13Å; I96-L99 WeakPolarHBondContact O-CB 3.48Å; I96-L99 PolarHBondContact O-N 2.77Å; I96-L99 VanDerWaalsContact O-N 3.13Å; L99-G102 CarbonylContact O-C 3.6Å; L99-G102 WeakPolarHBondContact O-CA 3.5Å; L99-G102 PolarHBondContact O-N 2.76Å; L99-G102 VanDerWaalsContact O-N 3.14Å; L99-I103 HydrophobicContact CD1-CD1 4.04Å; L99-I103 HydrophobicContact CD1-CG1 4.24Å; L99-I103 HydrophobicContact CD2-CD1 4.5Å; L99-I103 HydrophobicContact CG-CD1 3.91Å; L99-I103 HydrophobicContact CG-CG1 4.48Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 2.89Å; L99-V111 HydrophobicContact CD1-CB 4.3Å; L99-V111 HydrophobicContact CD1-CG1 4.16Å; L99-V111 HydrophobicContact CD1-CG2 4.03Å; L99-F114 HydrophobicContact CB-CD2 3.72Å; L99-F114 HydrophobicContact CB-CE2 4.12Å; L99-F114 HydrophobicContact CB-CG 4.32Å; L99-F114 HydrophobicContact CD1-CB 3.98Å; L99-F114 HydrophobicContact CD1-CD1 4.47Å; L99-F114 HydrophobicContact CD1-CD2 4.28Å; L99-F114 HydrophobicContact CD1-CG 4.01Å; L99-F114 HydrophobicContact CD2-CD1 3.96Å; L99-F114 HydrophobicContact CD2-CD2 3.78Å; L99-F114 HydrophobicContact CD2-CE1 3.91Å; L99-F114 HydrophobicContact CD2-CE2 3.75Å; L99-F114 HydrophobicContact CD2-CG 3.93Å; L99-F114 HydrophobicContact CD2-CZ 3.82Å; L99-F114 HydrophobicContact CG-CD2 4.13Å; L99-F114 HydrophobicContact CG-CE2 4.48Å; L99-F114 HydrophobicContact CG-CG 4.3Å
100E64.3Low67.9Low100 Ų10077.7 Ų77.747%0.46740%0.401SS..Hα-helixtrans-58-53.6176.8-73.8163.8171.300110.4I96 H97 G102 I103 E104I96-E100 VanDerWaalsContact O-CG 3.3Å; I96-E100 WeakPolarHBondContact O-CG 3.5Å; I96-E100 PolarHBondContact O-N 2.87Å; H97-E100 WeakPolarHBondContact CA-OE2 3.39Å; E100-G102 VanDerWaalsContact C-N 3.26Å; E100-G102 PolarHBondContact O-N 2.78Å; E100-I103 PolarHBondContact O-N 2.81Å; E100-I103 VanDerWaalsContact O-N 3.07Å; E100-E104 WeakPolarHBondContact O-CG 3.44Å; E100-E104 PolarHBondContact O-N 2.79Å
101A72.4Confident68.3Low39 Ų3976.1 Ų76.132%0.32238%0.379SS..Hα-helixtrans-58.3-36.9173.600000112.5H97 N105H97-A101 WeakPolarHBondContact O-CB 3.39Å; H97-A101 PolarHBondContact O-N 2.82Å; A101-N105 VanDerWaalsContact O-CB 3.3Å; A101-N105 WeakPolarHBondContact O-CB 3.49Å; A101-N105 PolarHBondContact O-N 2.89Å; A101-N105 PolarHBondContact O-ND2 2.9Å
102G74.6Confident69.2Low1 Ų173.1 Ų73.11%0.0137%0.373CS..Hα-helixtrans-65.1-38.4174.600000113.5A98 L99 E100 R106 Q107A98-G102 PolarHBondContact O-N 3.4Å; L99-G102 CarbonylContact O-C 3.6Å; L99-G102 WeakPolarHBondContact O-CA 3.5Å; L99-G102 PolarHBondContact O-N 2.76Å; L99-G102 VanDerWaalsContact O-N 3.14Å; E100-G102 VanDerWaalsContact C-N 3.26Å; E100-G102 PolarHBondContact O-N 2.78Å; G102-R106 CarbonylContact O-C 3.56Å; G102-R106 PolarHBondContact O-N 3.12Å; G102-R106 VanDerWaalsContact O-N 3.09Å; G102-Q107 PolarHBondContact O-N 3.2Å
103I76.9Confident69.8Low105 Ų10575.7 Ų75.754%0.53838%0.383SS..Hα-helixtrans-70.3-48.1175.9-70.4167.8000110.4L99 E100 N105 R106 V111L99-I103 HydrophobicContact CD1-CD1 4.04Å; L99-I103 HydrophobicContact CD1-CG1 4.24Å; L99-I103 HydrophobicContact CD2-CD1 4.5Å; L99-I103 HydrophobicContact CG-CD1 3.91Å; L99-I103 HydrophobicContact CG-CG1 4.48Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 2.89Å; E100-I103 PolarHBondContact O-N 2.81Å; E100-I103 VanDerWaalsContact O-N 3.07Å; I103-N105 VanDerWaalsContact C-N 3.34Å; I103-N105 PolarHBondContact O-N 3.39Å; I103-R106 PolarHBondContact O-N 2.86Å; I103-R106 VanDerWaalsContact O-N 3.12Å; I103-V111 HydrophobicContact CG1-CG2 4.04Å
104E78.1Confident70.9Confident155 Ų15575.2 Ų75.272%0.72438%0.375SS*.Hα-helixtrans-57.9-45.2178-72-179.5165.400111.9E100 R106E100-E104 WeakPolarHBondContact O-CG 3.44Å; E100-E104 PolarHBondContact O-N 2.79Å; E104-R106 VanDerWaalsContact C-N 3.3Å; E104-R106 PolarHBondContact O-N 3.39Å
105N79.6Confident71.7Confident104 Ų10479.5 Ų79.556%0.55640%0.398SS*.THydrogen-bonded Turntrans-86.56179.5-66.3-79.8000113.9A101 I103 Q107A101-N105 VanDerWaalsContact O-CB 3.3Å; A101-N105 WeakPolarHBondContact O-CB 3.49Å; A101-N105 PolarHBondContact O-N 2.89Å; A101-N105 PolarHBondContact O-ND2 2.9Å; I103-N105 VanDerWaalsContact C-N 3.34Å; I103-N105 PolarHBondContact O-N 3.39Å; N105-Q107 HydrophobicContact CB-CG 4.02Å; N105-Q107 PolarHBondContact O-N 2.86Å
106R82.9Confident72.3Confident220 Ų22083.8 Ų83.883%0.8342%0.415SS*.THydrogen-bonded Turntrans55.328.1-179.3-52.5-177-179.7-162.8-0.8114.7G102 I103 E104 L108G102-R106 CarbonylContact O-C 3.56Å; G102-R106 PolarHBondContact O-N 3.12Å; G102-R106 VanDerWaalsContact O-N 3.09Å; I103-R106 PolarHBondContact O-N 2.86Å; I103-R106 VanDerWaalsContact O-N 3.12Å; E104-R106 VanDerWaalsContact C-N 3.3Å; E104-R106 PolarHBondContact O-N 3.39Å; R106-L108 PolarHBondContact O-N 2.86Å
107Q83.6Confident72.6Confident100 Ų10079.1 Ų79.147%0.46739%0.393SS..  trans-80.482.1179.2-65178.2-400110.2G102 N105 D109 T110 V111G102-Q107 PolarHBondContact O-N 3.2Å; N105-Q107 HydrophobicContact CB-CG 4.02Å; N105-Q107 PolarHBondContact O-N 2.86Å; Q107-D109 PolarHBondContact O-N 3.07Å; Q107-D109 VanDerWaalsContact O-N 3.15Å; Q107-T110 WeakPolarHBondContact O-CB 3.27Å; Q107-T110 PolarHBondContact O-N 3.19Å; Q107-T110 VanDerWaalsContact O-N 3.08Å; Q107-T110 PolarHBondContact OE1-OG1 2.86Å; Q107-V111 PolarHBondContact O-N 3.23Å
108L78.5Confident72.9Confident135 Ų13578.3 Ų78.371%0.70739%0.388SS*.Hα-helixtrans-59.3-25-178.4-68.8175.3000113.4R106 V111 N112R106-L108 PolarHBondContact O-N 2.86Å; L108-V111 PolarHBondContact O-N 2.86Å; L108-N112 WeakPolarHBondContact O-CB 3.2Å; L108-N112 PolarHBondContact O-N 2.83Å
109D71.8Confident73Confident132 Ų13281.9 Ų81.971%0.70640%0.401SS*.Hα-helixtrans-65.2-42.7174.6-61.8-51.4000112.1Q107 N112 F113Q107-D109 PolarHBondContact O-N 3.07Å; Q107-D109 VanDerWaalsContact O-N 3.15Å; D109-N112 PolarHBondContact O-N 2.8Å; D109-F113 WeakPolarHBondContact O-CB 3.03Å; D109-F113 PolarHBondContact O-N 2.92Å
110T68.6Low72.4Confident34 Ų3487.3 Ų87.321%0.20943%0.43CS..Hα-helixtrans-62.6-42.7173.8-500000110.7I94 A98 Q107 F113 F114I94-T110 HydrophobicContact CD1-CG2 4.2Å; I94-T110 WeakPolarHBondContact CD1-O 3.33Å; A98-T110 WeakPolarHBondContact O-CG2 3.37Å; Q107-T110 WeakPolarHBondContact O-CB 3.27Å; Q107-T110 PolarHBondContact O-N 3.19Å; Q107-T110 VanDerWaalsContact O-N 3.08Å; Q107-T110 PolarHBondContact OE1-OG1 2.86Å; T110-F113 PolarHBondContact O-N 2.94Å; T110-F114 PolarHBondContact O-N 3.1Å
111V71.8Confident72.1Confident29 Ų2988.7 Ų88.718%0.17644%0.44CS..Hα-helixtrans-65.5-42.5176.5-177.50000111.6L99 I103 Q107 L108 F114 L115L99-V111 HydrophobicContact CD1-CB 4.3Å; L99-V111 HydrophobicContact CD1-CG1 4.16Å; L99-V111 HydrophobicContact CD1-CG2 4.03Å; I103-V111 HydrophobicContact CG1-CG2 4.04Å; Q107-V111 PolarHBondContact O-N 3.23Å; L108-V111 PolarHBondContact O-N 2.86Å; V111-F114 WeakPolarHBondContact O-CB 3.23Å; V111-F114 PolarHBondContact O-N 2.77Å; V111-L115 HydrophobicContact CG1-CD1 4.12Å; V111-L115 WeakPolarHBondContact O-CG 3.24Å; V111-L115 PolarHBondContact O-N 2.87Å
112N76.6Confident71.1Confident73 Ų7393.9 Ų93.939%0.3946%0.456SS..Hα-helixtrans-63.4-41.9177.5-177.324.7000111.7L108 D109 L115 K116L108-N112 WeakPolarHBondContact O-CB 3.2Å; L108-N112 PolarHBondContact O-N 2.83Å; D109-N112 PolarHBondContact O-N 2.8Å; N112-L115 PolarHBondContact O-N 2.82Å; N112-K116 WeakPolarHBondContact O-CB 3.03Å; N112-K116 WeakPolarHBondContact O-CG 3.47Å; N112-K116 PolarHBondContact O-N 3.19Å; N112-K116 WeakPolarHBondContact OD1-CE 3.19Å
113F70Confident69.8Low66 Ų6698.8 Ų98.829%0.28948%0.482SS..Hα-helixtrans-66.6-37.7175.2-170.7-119.2000111.3I94 D109 T110 K116 S117I94-F113 HydrophobicContact CD1-CB 3.8Å; I94-F113 HydrophobicContact CD1-CD1 3.4Å; I94-F113 HydrophobicContact CD1-CE1 4.37Å; I94-F113 HydrophobicContact CD1-CG 3.99Å; I94-F113 HydrophobicContact CG1-CD1 3.58Å; I94-F113 HydrophobicContact CG1-CE1 4.09Å; I94-F113 HydrophobicContact CG1-CG 4.46Å; D109-F113 WeakPolarHBondContact O-CB 3.03Å; D109-F113 PolarHBondContact O-N 2.92Å; T110-F113 PolarHBondContact O-N 2.94Å; F113-K116 PolarHBondContact O-N 3.23Å; F113-S117 PolarHBondContact O-N 2.96Å
114F73.7Confident68.4Low33 Ų33100.2 Ų100.215%0.14550%0.498CS..Hα-helixtrans-59.3-53172.5-176.6-79000110.8I94 L99 T110 V111 K116 S117 K118I94-F114 HydrophobicContact CB-CB 4.21Å; I94-F114 HydrophobicContact CB-CD2 3.8Å; I94-F114 HydrophobicContact CB-CG 4.45Å; I94-F114 HydrophobicContact CD1-CB 3.92Å; I94-F114 HydrophobicContact CG1-CB 4.4Å; I94-F114 HydrophobicContact CG2-CD2 4.24Å; I94-F114 WeakPolarHBondContact O-CD2 3.45Å; I94-F114 VanDerWaalsContact O-CE2 3.24Å; I94-F114 WeakPolarHBondContact O-CE2 3.4Å; L99-F114 HydrophobicContact CB-CD2 3.72Å; L99-F114 HydrophobicContact CB-CE2 4.12Å; L99-F114 HydrophobicContact CB-CG 4.32Å; L99-F114 HydrophobicContact CD1-CB 3.98Å; L99-F114 HydrophobicContact CD1-CD1 4.47Å; L99-F114 HydrophobicContact CD1-CD2 4.28Å; L99-F114 HydrophobicContact CD1-CG 4.01Å; L99-F114 HydrophobicContact CD2-CD1 3.96Å; L99-F114 HydrophobicContact CD2-CD2 3.78Å; L99-F114 HydrophobicContact CD2-CE1 3.91Å; L99-F114 HydrophobicContact CD2-CE2 3.75Å; L99-F114 HydrophobicContact CD2-CG 3.93Å; L99-F114 HydrophobicContact CD2-CZ 3.82Å; L99-F114 HydrophobicContact CG-CD2 4.13Å; L99-F114 HydrophobicContact CG-CE2 4.48Å; L99-F114 HydrophobicContact CG-CG 4.3Å; T110-F114 PolarHBondContact O-N 3.1Å; V111-F114 WeakPolarHBondContact O-CB 3.23Å; V111-F114 PolarHBondContact O-N 2.77Å; F114-K116 VanDerWaalsContact C-N 3.34Å; F114-K116 PolarHBondContact O-N 3.27Å; F114-S117 WeakPolarHBondContact O-CB 3.48Å; F114-S117 PolarHBondContact O-N 3.2Å; F114-S117 PolarHBondContact O-OG 3.39Å; F114-K118 HydrophobicContact CD1-CG 4.2Å; F114-K118 HydrophobicContact CE1-CG 3.75Å; F114-K118 HydrophobicContact CZ-CG 4.16Å; F114-K118 PolarHBondContact O-N 2.86Å
115L73.8Confident67.1Low97 Ų9796.8 Ų96.851%0.50849%0.491SS..Hα-helixtrans-62.4-40.9-176.5-67.9170.5000111.7V111 N112 S117 K118 E119V111-L115 HydrophobicContact CG1-CD1 4.12Å; V111-L115 WeakPolarHBondContact O-CG 3.24Å; V111-L115 PolarHBondContact O-N 2.87Å; N112-L115 PolarHBondContact O-N 2.82Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 2.86Å; L115-K118 CarbonylContact O-C 3.41Å; L115-K118 PolarHBondContact O-N 2.97Å; L115-K118 VanDerWaalsContact O-N 3.14Å; L115-E119 PolarHBondContact O-N 2.82Å; L115-E119 VanDerWaalsContact O-N 3.1Å
116K70.4Confident65.4Low100 Ų10096.9 Ų96.944%0.43550%0.5SS..Hα-helixtrans-66.9-25.6174.1-75.7175.7177.11730114.2R91 N112 F113 F114R91-K116 VanDerWaalsContact CD-O 3.31Å; R91-K116 WeakPolarHBondContact CD-O 3.1Å; R91-K116 PolarHBondContact NH1-O 2.61Å; N112-K116 WeakPolarHBondContact O-CB 3.03Å; N112-K116 WeakPolarHBondContact O-CG 3.47Å; N112-K116 PolarHBondContact O-N 3.19Å; N112-K116 WeakPolarHBondContact OD1-CE 3.19Å; F113-K116 PolarHBondContact O-N 3.23Å; F114-K116 VanDerWaalsContact C-N 3.34Å; F114-K116 PolarHBondContact O-N 3.27Å
117S64.3Low63.3Low13 Ų1395.9 Ų95.99%0.09150%0.502CS..Hα-helixtrans-74.3-26.6172.179.20000112.7C92 F113 F114 L115C92-S117 WeakPolarHBondContact O-CB 3.41Å; F113-S117 PolarHBondContact O-N 2.96Å; F114-S117 WeakPolarHBondContact O-CB 3.48Å; F114-S117 PolarHBondContact O-N 3.2Å; F114-S117 PolarHBondContact O-OG 3.39Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 2.86Å
118K67Low61.2Low62 Ų6296.4 Ų96.427%0.2752%0.516SS..SBendtrans-98.12178.9-60.6-63.2-176.1-1790113.9F114 L115 N120 L121 F122F114-K118 HydrophobicContact CD1-CG 4.2Å; F114-K118 HydrophobicContact CE1-CG 3.75Å; F114-K118 HydrophobicContact CZ-CG 4.16Å; F114-K118 PolarHBondContact O-N 2.86Å; L115-K118 CarbonylContact O-C 3.41Å; L115-K118 PolarHBondContact O-N 2.97Å; L115-K118 VanDerWaalsContact O-N 3.14Å; K118-N120 VanDerWaalsContact C-N 3.26Å; K118-N120 PolarHBondContact O-N 2.84Å; K118-L121 HydrophobicContact CD-CD1 4.42Å; K118-L121 WeakPolarHBondContact O-CA 3.46Å; K118-L121 VanDerWaalsContact O-CB 3.23Å; K118-L121 WeakPolarHBondContact O-CB 3.49Å; K118-L121 PolarHBondContact O-N 2.86Å; K118-F122 HydrophobicContact CB-CD2 4.12Å; K118-F122 HydrophobicContact CB-CE2 3.7Å; K118-F122 VanDerWaalsContact O-CD2 3.28Å; K118-F122 WeakPolarHBondContact O-CD2 3.4Å; K118-F122 PolarHBondContact O-N 3.3Å
119E66.3Low59Low95 Ų9594.9 Ų94.944%0.44452%0.517SS..Hα-helixtrans-51.5-41.9-178.4-173.3170.4-152.500113R91 L115 L121 F122 N123R91-E119 IonicContact CZ-OE2 3.74Å; R91-E119 IonicContact NH1-OE2 2.91Å; R91-E119 PolarHBondContact NH1-OE2 2.81Å; R91-E119 IonicContact NH2-OE2 2.61Å; L115-E119 PolarHBondContact O-N 2.82Å; L115-E119 VanDerWaalsContact O-N 3.1Å; E119-L121 PolarHBondContact O-N 2.61Å; E119-L121 VanDerWaalsContact O-N 3.15Å; E119-F122 PolarHBondContact O-N 2.88Å; E119-N123 PolarHBondContact O-N 3.39Å
120N55.4Low57.5Low141 Ų14194.3 Ų94.375%0.75452%0.518SS*.Hα-helixtrans-64.3-16.3177-62-34.4000114.5K118K118-N120 VanDerWaalsContact C-N 3.26Å; K118-N120 PolarHBondContact O-N 2.84Å
121L57.2Low55.8Low129 Ų12997.8 Ų97.868%0.67554%0.544SS*.Hα-helixtrans-93.4-23.8-179-143.1153.5000111.3K118 E119K118-L121 HydrophobicContact CD-CD1 4.42Å; K118-L121 WeakPolarHBondContact O-CA 3.46Å; K118-L121 VanDerWaalsContact O-CB 3.23Å; K118-L121 WeakPolarHBondContact O-CB 3.49Å; K118-L121 PolarHBondContact O-N 2.86Å; E119-L121 PolarHBondContact O-N 2.61Å; E119-L121 VanDerWaalsContact O-N 3.15Å
122F53.1Low53.8Low148 Ų148101.4 Ų101.465%0.64956%0.562SS**Hα-helixtrans-97.1-12.6-179.9-66.4-65.6000114.1K118 E119 P124K118-F122 HydrophobicContact CB-CD2 4.12Å; K118-F122 HydrophobicContact CB-CE2 3.7Å; K118-F122 VanDerWaalsContact O-CD2 3.28Å; K118-F122 WeakPolarHBondContact O-CD2 3.4Å; K118-F122 PolarHBondContact O-N 3.3Å; E119-F122 PolarHBondContact O-N 2.88Å; F122-P124 WeakPolarHBondContact O-CD 3.21Å
123N46.7Very low51.6Low104 Ų104106.7 Ų106.756%0.55658%0.584SS**  trans-126.179.6-177.1-153.14.9000112E119 S125E119-N123 PolarHBondContact O-N 3.39Å; N123-S125 PolarHBondContact O-N 2.86Å
124P47Very low49.8Very low134 Ų134111.1 Ų111.187%0.8760%0.604SS**  trans-75.720.5-176.732.6-37.2000114.4F122F122-P124 WeakPolarHBondContact O-CD 3.21Å
125S52.1Low47.6Very low83 Ų83116 Ų11658%0.5863%0.631SS**  trans-125.6130.5-175.7-171.60000112.2N123N123-S125 PolarHBondContact O-N 2.86Å
126S42.7Very low45.5Very low106 Ų106119.8 Ų119.874%0.74165%0.646SS**SBendtrans67.6120.9-16978.70000114.2
127K39.8Very low43.8Very low200 Ų200121.4 Ų121.487%0.8766%0.659SS**  cis-136.5134.920.3-63.3173.4-178.81760113
128S38.1Very low42.3Very low111 Ų111125.1 Ų125.178%0.77669%0.685SS**  trans-117.4149.8150.655.30000108.2
129S33.9Very low40.4Very low103 Ų103127.5 Ų127.572%0.7271%0.709SS**  trans66117-163.263.40000114.2
130V38.8Very low39.1Very low119 Ų119130.9 Ų130.972%0.72172%0.724SS**  cis69.9111.341.6-171.20000109.1D132V130-D132 VanDerWaalsContact CG1-OD2 3.32Å; V130-D132 WeakPolarHBondContact CG1-OD2 3.28Å
131S33.7Very low38.2Very low108 Ų108131.8 Ų131.876%0.75573%0.729SS**  cis-143178.439.7-73.70000115
132D30.2Very low36.9Very low105 Ų105135.6 Ų135.656%0.56174%0.735SS**  cis-171.8144.9-42.2-83.5-37.4000109.4V130V130-D132 VanDerWaalsContact CG1-OD2 3.32Å; V130-D132 WeakPolarHBondContact CG1-OD2 3.28Å
133Q29.8Very low35.7Very low184 Ų184137 Ų13786%0.8675%0.749SS**SBendtrans-16452.3162-165.4174.970.500109.8
134F31.8Very low35.1Very low158 Ų158143.6 Ų143.669%0.69377%0.766SS**  trans-144.430.5179.5-101.7-78.6000113.5H136F134-H136 PolarHBondContact O-N 3.5Å
135D26.8Very low34.1Very low135 Ų135142 Ų14272%0.72276%0.758SS**THydrogen-bonded Turntrans-7230.9-175.9-70.8-44.9000115.6
136H30.6Very low32.8Very low178 Ų178147.3 Ų147.382%0.82477%0.77SS**THydrogen-bonded Turntrans-144.72.1174.9-117.4-64000117.9F134F134-H136 PolarHBondContact O-N 3.5Å
137L35.3Very low32.2Very low133 Ų133153.4 Ų153.470%0.69678%0.777SS**THydrogen-bonded Turntrans-118.3-2.5173.8-97.390.2000115.3S139L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 2.81Å
138S32.3Very low32.1Very low92 Ų92151.4 Ų151.464%0.64378%0.776SS**THydrogen-bonded Turntrans-80.25.1-168.1-63.80000116.7
139S27.9Very low32.3Very low111 Ų111152.7 Ų152.778%0.77677%0.768SS**THydrogen-bonded Turntrans-91.3-11.2-173.447.60000116.1L137L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 2.81Å
140H37.3Very low32.9Very low166 Ų166149.3 Ų149.377%0.76974%0.742SS**SBendtrans-113.3-4.8-169.7-127-78000117
141L36.3Very low33.9Very low161 Ų161144.8 Ų144.884%0.84371%0.712SS**SBendtrans-99.48-175.1-81.8165000115.1
142Y30.6Very low35Very low208 Ų208141.9 Ų141.982%0.81669%0.685SS**  trans-120.414.2-164.7-103.3-81.9000117.8R144Y142-R144 PolarHBondContact O-N 2.86Å
143L27.6Very low36.3Very low179 Ų179137.1 Ų137.194%0.93766%0.66SS**  trans-9766.9171.6-78.1170.7000113.2S145L143-S145 PolarHBondContact O-N 3.45Å
144R33.8Very low37.4Very low242 Ų242130.7 Ų130.791%0.91363%0.634SS**  trans-71103.9164.3175.7-172.7179.41740.9110.3Y142Y142-R144 PolarHBondContact O-N 2.86Å
145S26.3Very low38.5Very low99 Ų99126.3 Ų126.369%0.69262%0.618SS**  trans-166.2115.714252.60000115.4L143L143-S145 PolarHBondContact O-N 3.45Å
146K25.8Very low39.2Very low195 Ų195130.1 Ų130.185%0.84862%0.623SS**SBendtrans8623.7137-134.9177.9-173.6179.90121.6
147W29Very low39.6Very low235 Ų235127.8 Ų127.889%0.8961%0.613SS**  trans-134.181.2159-61.3106.7000111K149W147-K149 PolarHBondContact O-N 2.71Å
148N37.9Very low39.9Very low157 Ų157127.5 Ų127.584%0.8461%0.609SS**THydrogen-bonded Turntrans-95.260.6-166.9-159.336.1000112.5
149K42.5Very low40.3Very low138 Ų138129.4 Ų129.460%0.661%0.607SS**THydrogen-bonded Turntrans-141.9-12.8178.5-79.1-160.9175.1-171.50116.7G61 L62 W147G61-K149 CarbonylContact C-O 3.53Å; L62-K149 CarbonylContact C-O 3.57Å; L62-K149 VanDerWaalsContact C-O 3.3Å; L62-K149 PolarHBondContact N-O 2.84Å; W147-K149 PolarHBondContact O-N 2.71Å
150D47Very low41Very low33 Ų33130.5 Ų130.518%0.17660%0.597CS.*  trans-124.7139.8-173.2-49.3-46.8000109.9Q27 G61Q27-D150 PolarHBondContact OE1-OD1 2.85Å; G61-D150 PolarHBondContact N-OD1 3.49Å
151F58.8Low41.3Very low24 Ų24128.3 Ų128.311%0.10559%0.586CS.*EExtended strand (participates in β ladder)trans-148169.7178.976.9-73.7000112L59 L62 T63 Q64 F67 W89 I153L59-F151 HydrophobicContact CB-CE1 4.2Å; L59-F151 HydrophobicContact CB-CZ 4.46Å; L59-F151 HydrophobicContact CD1-CE1 4.45Å; L59-F151 HydrophobicContact CD1-CZ 4Å; L59-F151 PolarHBondContact N-O 2.89Å; L62-F151 HydrophobicContact CB-CE1 4.39Å; L62-F151 WeakPolarHBondContact O-CD1 3.5Å; L62-F151 WeakPolarHBondContact O-CE1 3.05Å; T63-F151 WeakPolarHBondContact O-CE1 3.49Å; Q64-F151 HydrophobicContact CB-CD1 4.44Å; Q64-F151 HydrophobicContact CB-CD2 4.08Å; Q64-F151 HydrophobicContact CB-CE2 4.32Å; Q64-F151 HydrophobicContact CB-CG 4.16Å; Q64-F151 HydrophobicContact CG-CD2 4.36Å; Q64-F151 HydrophobicContact CG-CE2 4.43Å; F67-F151 HydrophobicContact CB-CE1 4.06Å; F67-F151 HydrophobicContact CB-CE2 4.48Å; F67-F151 HydrophobicContact CB-CZ 3.49Å; F67-F151 VanDerWaalsContact CB-CZ 3.49Å; F67-F151 HydrophobicContact CD1-CE2 4.42Å; F67-F151 HydrophobicContact CD1-CZ 4.08Å; F67-F151 HydrophobicContact CD2-CZ 4.44Å; F67-F151 AromaticContact CG-CZ 3.75Å; F67-F151 HydrophobicContact CG-CZ 3.75Å; W89-F151 HydrophobicContact CH2-CD2 4.14Å; W89-F151 AromaticContact CH2-CE2 3.59Å; W89-F151 HydrophobicContact CH2-CE2 3.59Å; W89-F151 AromaticContact CZ2-CD2 3.77Å; W89-F151 HydrophobicContact CZ2-CD2 3.77Å; W89-F151 AromaticContact CZ2-CE2 3.71Å; W89-F151 HydrophobicContact CZ2-CE2 3.71Å; F151-I153 HydrophobicContact CD2-CG1 4.22Å; F151-I153 HydrophobicContact CE2-CD1 3.88Å; F151-I153 HydrophobicContact CE2-CG1 3.48Å; F151-I153 VanDerWaalsContact CE2-CG1 3.48Å; F151-I153 HydrophobicContact CZ-CD1 4.11Å; F151-I153 HydrophobicContact CZ-CG1 4.17Å
152Y57.2Low41.6Very low47 Ų47126.1 Ų126.118%0.18457%0.569CS.*EExtended strand (participates in β ladder)trans-112.3139.3-172.7-76.7-114.8000109.5F29 L31 I58F29-Y152 AromaticContact CD1-CE2 3.66Å; F29-Y152 HydrophobicContact CD1-CE2 3.66Å; F29-Y152 AromaticContact CD1-CZ 3.5Å; F29-Y152 WeakPolarHBondContact CD1-OH 3.11Å; F29-Y152 AromaticContact CD2-CE2 3.63Å; F29-Y152 HydrophobicContact CD2-CE2 3.63Å; F29-Y152 HydrophobicContact CE1-CD2 4.3Å; F29-Y152 HydrophobicContact CE1-CE1 4.42Å; F29-Y152 AromaticContact CE1-CE2 3.37Å; F29-Y152 HydrophobicContact CE1-CE2 3.37Å; F29-Y152 AromaticContact CE1-CZ 3.44Å; F29-Y152 VanDerWaalsContact CE1-CZ 3.44Å; F29-Y152 VanDerWaalsContact CE1-OH 3.28Å; F29-Y152 WeakPolarHBondContact CE1-OH 3.38Å; F29-Y152 HydrophobicContact CE2-CD2 4.07Å; F29-Y152 AromaticContact CE2-CE2 3.37Å; F29-Y152 HydrophobicContact CE2-CE2 3.37Å; F29-Y152 AromaticContact CG-CE2 3.76Å; F29-Y152 HydrophobicContact CG-CE2 3.76Å; F29-Y152 AromaticContact CG-CZ 3.9Å; F29-Y152 WeakPolarHBondContact CG-OH 3.05Å; F29-Y152 AromaticContact CZ-CD2 3.85Å; F29-Y152 HydrophobicContact CZ-CD2 3.85Å; F29-Y152 AromaticContact CZ-CE2 3.22Å; F29-Y152 HydrophobicContact CZ-CE2 3.22Å; F29-Y152 AromaticContact CZ-CZ 3.83Å; L31-Y152 HydrophobicContact CD2-CE1 3.82Å; L31-Y152 HydrophobicContact CG-CE1 4.37Å; I58-Y152 HydrophobicContact CD1-CE1 3.68Å; I58-Y152 WeakPolarHBondContact CD1-OH 3.44Å; I58-Y152 HydrophobicContact CG1-CD1 4.05Å; I58-Y152 HydrophobicContact CG1-CE1 3.43Å; I58-Y152 VanDerWaalsContact CG1-CE1 3.43Å; I58-Y152 HydrophobicContact CG1-CE2 4.26Å; I58-Y152 HydrophobicContact CG2-CE2 4.11Å
153I57.5Low42.4Very low5 Ų5120.3 Ų120.33%0.02655%0.552CS.*EExtended strand (participates in β ladder)trans-114.1114168-57.4-179.2000107.4S56 L57 L59 F67 L83 N87 W89 F151 I155S56-I153 CarbonylContact C-O 3.44Å; S56-I153 VanDerWaalsContact CA-O 3.24Å; S56-I153 WeakPolarHBondContact CA-O 3.38Å; L57-I153 PolarHBondContact N-O 3.15Å; L57-I153 PolarHBondContact O-N 3.33Å; L59-I153 HydrophobicContact CD1-CD1 3.56Å; L59-I153 HydrophobicContact CD1-CG1 4.42Å; L59-I153 HydrophobicContact CG-CD1 4.4Å; F67-I153 HydrophobicContact CD1-CD1 3.83Å; F67-I153 HydrophobicContact CD2-CD1 4.22Å; F67-I153 HydrophobicContact CE1-CD1 3.37Å; F67-I153 HydrophobicContact CE2-CD1 3.81Å; F67-I153 HydrophobicContact CG-CD1 4.24Å; F67-I153 HydrophobicContact CZ-CD1 3.36Å; L83-I153 HydrophobicContact CD1-CG2 4.09Å; L83-I153 HydrophobicContact CD2-CG2 4.21Å; L83-I153 HydrophobicContact CG-CG2 4.22Å; N87-I153 WeakPolarHBondContact OD1-CA 3.26Å; W89-I153 HydrophobicContact CH2-CG1 4.1Å; W89-I153 HydrophobicContact CZ2-CG1 4.35Å; F151-I153 HydrophobicContact CD2-CG1 4.22Å; F151-I153 HydrophobicContact CE2-CD1 3.88Å; F151-I153 HydrophobicContact CE2-CG1 3.48Å; F151-I153 VanDerWaalsContact CE2-CG1 3.48Å; F151-I153 HydrophobicContact CZ-CD1 4.11Å; F151-I153 HydrophobicContact CZ-CG1 4.17Å; I153-I155 HydrophobicContact CG2-CG1 4.31Å; I153-I155 HydrophobicContact CG2-CG2 4.27Å; I153-I155 WeakPolarHBondContact O-CG1 3.29Å; I153-I155 PolarHBondContact O-N 2.85Å
154C53.5Low43.5Very low48 Ų48115.8 Ų115.832%0.32452%0.522SS..EExtended strand (participates in β ladder)trans-66.5122.4163.2-610000108.3N87N87-C154 WeakPolarHBondContact OD1-CB 3.46Å; N87-C154 PolarHBondContact OD1-N 2.87Å
155I54.3Low44.3Very low67 Ų67105.3 Ų105.334%0.34449%0.489SS..  trans-135.469.1176.917.7166000107.8F48 L55 L57 I153F48-I155 HydrophobicContact CE1-CD1 4.02Å; L55-I155 CarbonylContact O-C 3.53Å; L55-I155 PolarHBondContact O-N 3.15Å; L57-I155 HydrophobicContact CB-CD1 3.42Å; L57-I155 VanDerWaalsContact CB-CD1 3.42Å; L57-I155 HydrophobicContact CB-CG1 4.04Å; L57-I155 HydrophobicContact CD2-CD1 4.04Å; L57-I155 HydrophobicContact CG-CD1 4.37Å; I153-I155 HydrophobicContact CG2-CG1 4.31Å; I153-I155 HydrophobicContact CG2-CG2 4.27Å; I153-I155 WeakPolarHBondContact O-CG1 3.29Å; I153-I155 PolarHBondContact O-N 2.85Å
156Y42.1Very low46Very low215 Ų215105.8 Ų105.884%0.84347%0.471SS*.  trans390167.7-78.2-66.9000117.3G54 L55 L86G54-Y156 WeakPolarHBondContact CA-OXT 3.44Å; L55-Y156 WeakPolarHBondContact CB-OXT 3.42Å; L55-Y156 PolarHBondContact N-OXT 3.44Å; L86-Y156 HydrophobicContact CD1-CD2 3.88Å; L86-Y156 HydrophobicContact CD1-CE2 3.46Å; L86-Y156 VanDerWaalsContact CD1-CE2 3.46Å; L86-Y156 HydrophobicContact CD2-CE2 3.43Å; L86-Y156 VanDerWaalsContact CD2-CE2 3.43Å; L86-Y156 VanDerWaalsContact CD2-CZ 3.44Å; L86-Y156 WeakPolarHBondContact CD2-OH 3.48Å; L86-Y156 HydrophobicContact CG-CE2 4.07Å

Retrieved 156 of 156 residues in 70.1 ms (Link to these results)

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