A0A077ZBX0_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZBX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M43.5Very low78.6Confident232 Ų23274.4 Ų74.4100%1.14344%0.435SS*.  0119.50-62.5-174.8-16400107.2T3M1-T3 PolarHBondContact O-N 2.96Å
2A49.7Very low79.9Confident98 Ų9878.8 Ų78.881%0.8146%0.464SS*.  trans-65.5106.6-179.600000108.9S4A2-S4 PolarHBondContact O-N 3.15Å
3T56Low81.1Confident78 Ų7882.8 Ų82.848%0.47947%0.472SS..  trans-7773.2173.451.50000107M1 V5 K36M1-T3 PolarHBondContact O-N 2.96Å; T3-V5 PolarHBondContact O-N 3.37Å; T3-K36 HydrophobicContact CG2-CD 4.31Å
4S69.1Low82.1Confident80 Ų8077 Ų7756%0.55944%0.439SS*.  trans-69105.9-173.4-173.10000108.4A2A2-S4 PolarHBondContact O-N 3.15Å
5V81.4Confident82.9Confident25 Ų2574.2 Ų74.215%0.15243%0.429CS..  trans-77.1118165.3-175.80000105.9T3 I38 Y90 Q92T3-V5 PolarHBondContact O-N 3.37Å; V5-I38 HydrophobicContact CG1-CG2 3.46Å; V5-I38 VanDerWaalsContact CG1-CG2 3.46Å; V5-Y90 HydrophobicContact CB-CE2 4.34Å; V5-Y90 HydrophobicContact CG1-CD2 3.51Å; V5-Y90 HydrophobicContact CG1-CE2 3.64Å; V5-Q92 HydrophobicContact CG2-CB 4.22Å
6H89.5Confident83.6Confident100 Ų10069.6 Ų69.646%0.46340%0.402SS..  trans-126108.6-179.2-160.2141.1000108.9N32 D33 G34H6-N32 PolarHBondContact O-OD1 3.4Å; H6-D33 HydrophobicContact CB-CB 4.13Å; H6-D33 IonicContact CD2-OD2 3.78Å; H6-D33 PolarHBondContact O-N 2.7Å; H6-G34 PolarHBondContact O-N 2.88Å
7L94.2Very high84Confident10 Ų1074.2 Ų74.25%0.05241%0.411CS..EExtended strand (participates in β ladder)trans-108.2121172.9177.565.2000108.5L30 I38 L40 L59 F88 Y90 F113L7-L30 HydrophobicContact CD1-CB 4.23Å; L7-I38 HydrophobicContact CB-CD1 4.3Å; L7-I38 HydrophobicContact CD1-CD1 3.88Å; L7-L40 HydrophobicContact CD1-CD2 3.85Å; L7-L40 HydrophobicContact CD2-CD2 3.33Å; L7-L40 HydrophobicContact CD2-CG 4.34Å; L7-L40 HydrophobicContact CG-CD2 4.26Å; L7-L59 HydrophobicContact CD1-CD2 4.17Å; L7-F88 HydrophobicContact CD2-CB 4.31Å; L7-Y90 HydrophobicContact CB-CD1 4.29Å; L7-Y90 HydrophobicContact CB-CD2 4.02Å; L7-Y90 HydrophobicContact CB-CE1 4.27Å; L7-Y90 HydrophobicContact CB-CE2 4Å; L7-Y90 HydrophobicContact CB-CG 4.17Å; L7-Y90 HydrophobicContact CD2-CD1 3.58Å; L7-Y90 HydrophobicContact CD2-CD2 4.42Å; L7-Y90 HydrophobicContact CD2-CE1 4.15Å; L7-Y90 HydrophobicContact CD2-CG 3.74Å; L7-F113 HydrophobicContact CB-CE1 4.16Å; L7-F113 HydrophobicContact CD2-CE1 3.58Å; L7-F113 HydrophobicContact CD2-CZ 4.1Å; L7-F113 HydrophobicContact CG-CE1 3.75Å; L7-F113 HydrophobicContact CG-CZ 4.21Å
8S94.5Very high84.1Confident37 Ų3771.5 Ų71.526%0.25940%0.398SS..EExtended strand (participates in β ladder)trans-106.9148.1173.160.60000111.1L30 T31 D33S8-L30 WeakPolarHBondContact O-CA 3.48Å; S8-T31 PolarHBondContact N-O 3.24Å; S8-T31 PolarHBondContact O-N 2.93Å; S8-T31 WeakPolarHBondContact OG-CB 3.34Å; S8-T31 PolarHBondContact OG-O 2.95Å; S8-D33 WeakPolarHBondContact CB-OD2 3.26Å; S8-D33 PolarHBondContact OG-OD2 2.76Å
9C96Very high84.3Confident28 Ų2871.1 Ų71.119%0.18940%0.399CS..EExtended strand (participates in β ladder)trans-126.6124.8177.1174.50000108.3A11 L30 F113C9-A11 VanDerWaalsContact C-N 3.29Å; C9-A11 PolarHBondContact O-N 3.36Å; C9-A11 PolarHBondContact SG-O 3.22Å; C9-L30 HydrophobicContact CB-CD2 3.62Å; C9-F113 HydrophobicContact CB-CE2 3.75Å; C9-F113 HydrophobicContact CB-CZ 3.74Å
10E95.9Very high84.5Confident111 Ų11167.7 Ų67.752%0.51938%0.38SS..SBendtrans-66.3-33.4-178.3-69-173.6173.400112.3T12 F29 K64E10-T12 PolarHBondContact O-N 3Å; E10-F29 HydrophobicContact CG-CB 4.26Å; E10-F29 PolarHBondContact N-O 3.04Å; E10-F29 VanDerWaalsContact N-O 3.09Å; E10-F29 VanDerWaalsContact OE2-CD2 3.29Å; E10-F29 WeakPolarHBondContact OE2-CD2 3.47Å; E10-K64 VanDerWaalsContact OE1-CE 3.27Å; E10-K64 WeakPolarHBondContact OE1-CE 3.42Å; E10-K64 IonicContact OE1-NZ 2.76Å; E10-K64 PolarHBondContact OE1-NZ 3.02Å; E10-K64 IonicContact OE2-NZ 2.96Å
11A94.7Very high84.5Confident19 Ų1969.3 Ų69.316%0.15739%0.387CS..  trans-77121177.400000111.8C9 F14 T28C9-A11 VanDerWaalsContact C-N 3.29Å; C9-A11 PolarHBondContact O-N 3.36Å; C9-A11 PolarHBondContact SG-O 3.22Å; A11-F14 HydrophobicContact CB-CE1 4.04Å; A11-F14 HydrophobicContact CB-CE2 4.11Å; A11-F14 HydrophobicContact CB-CZ 3.81Å; A11-T28 HydrophobicContact CB-CG2 4.21Å; A11-T28 WeakPolarHBondContact CB-OG1 3.17Å; A11-T28 PolarHBondContact N-OG1 3.03Å
12T94.6Very high86.7Confident128 Ų12865.4 Ų65.479%0.78536%0.364SS*.SBendtrans-81-26.9167.856.10000112.5E10E10-T12 PolarHBondContact O-N 3Å
13K95.1Very high88.8Confident131 Ų13162.4 Ų62.457%0.5734%0.339SS*.EExtended strand (participates in β ladder)trans-154.1148.6174.365.1179.9-178.21780110.5R116K13-R116 WeakPolarHBondContact CA-O 3.24Å
14F95.8Very high90.6Very high1 Ų160.7 Ų60.70%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-99.3130.2166.2-63-88.1000109.1A11 V26 T28 L67 L69 I86 V115 R116 V117 T118A11-F14 HydrophobicContact CB-CE1 4.04Å; A11-F14 HydrophobicContact CB-CE2 4.11Å; A11-F14 HydrophobicContact CB-CZ 3.81Å; F14-V26 HydrophobicContact CD1-CB 4.17Å; F14-V26 HydrophobicContact CD1-CG1 3.72Å; F14-V26 HydrophobicContact CE1-CG1 4.29Å; F14-T28 HydrophobicContact CE1-CG2 3.76Å; F14-T28 HydrophobicContact CZ-CG2 3.51Å; F14-L67 HydrophobicContact CZ-CD2 4.47Å; F14-L69 HydrophobicContact CB-CD2 4Å; F14-L69 HydrophobicContact CD1-CB 4.36Å; F14-L69 HydrophobicContact CD1-CD2 3.99Å; F14-L69 HydrophobicContact CD2-CD2 4.19Å; F14-L69 HydrophobicContact CE1-CB 4.4Å; F14-L69 HydrophobicContact CG-CD2 3.79Å; F14-I86 HydrophobicContact CD2-CG2 3.86Å; F14-I86 HydrophobicContact CE2-CG2 3.54Å; F14-V115 HydrophobicContact CD2-CB 4.29Å; F14-V115 HydrophobicContact CD2-CG1 3.65Å; F14-V115 HydrophobicContact CE2-CB 3.97Å; F14-V115 HydrophobicContact CE2-CG1 3.59Å; F14-R116 PolarHBondContact N-O 2.97Å; F14-V117 HydrophobicContact CB-CB 4.45Å; F14-V117 HydrophobicContact CB-CG1 4.2Å; F14-V117 HydrophobicContact CB-CG2 4.15Å; F14-V117 HydrophobicContact CD2-CG2 4.18Å; F14-V117 CarbonylContact O-C 3.54Å; F14-V117 WeakPolarHBondContact O-CA 3.16Å; F14-T118 PolarHBondContact O-N 3.35Å
15A94Very high92Very high35 Ų3560.3 Ų60.329%0.28932%0.32SS..EExtended strand (participates in β ladder)trans-126.2126.5179.200000110.1T118A15-T118 CarbonylContact C-O 3.6Å; A15-T118 VanDerWaalsContact CA-O 3.31Å; A15-T118 WeakPolarHBondContact CA-O 3.42Å
16F93.6Very high92.7Very high1 Ų161.1 Ų61.10%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-110.1140.9173.1-65.4-82.7000109.6Y20 Q24 V26 F50 L69 L71 V117 T118 I119 E120F16-Y20 PolarHBondContact O-OH 2.85Å; F16-Q24 HydrophobicContact CD1-CB 3.69Å; F16-Q24 HydrophobicContact CE1-CB 4.06Å; F16-V26 HydrophobicContact CD1-CG2 4.03Å; F16-V26 HydrophobicContact CE1-CB 4.34Å; F16-V26 HydrophobicContact CE1-CG2 3.62Å; F16-V26 HydrophobicContact CZ-CB 4.34Å; F16-V26 HydrophobicContact CZ-CG2 3.98Å; F16-F50 HydrophobicContact CD2-CE1 4.12Å; F16-F50 HydrophobicContact CE2-CD1 4.27Å; F16-F50 AromaticContact CE2-CE1 3.76Å; F16-F50 HydrophobicContact CE2-CE1 3.76Å; F16-L69 HydrophobicContact CE2-CD2 4Å; F16-L69 HydrophobicContact CE2-CG 4.33Å; F16-L69 HydrophobicContact CZ-CD2 4.13Å; F16-L69 HydrophobicContact CZ-CG 4.01Å; F16-L69 WeakPolarHBondContact CZ-O 3.28Å; F16-L71 HydrophobicContact CB-CD2 3.51Å; F16-L71 HydrophobicContact CD1-CB 3.54Å; F16-L71 HydrophobicContact CD1-CD2 3.89Å; F16-L71 HydrophobicContact CD1-CG 4.37Å; F16-L71 HydrophobicContact CD2-CB 4.18Å; F16-L71 HydrophobicContact CD2-CD2 4.19Å; F16-L71 HydrophobicContact CE1-CB 3.5Å; F16-L71 HydrophobicContact CE2-CB 4.16Å; F16-L71 HydrophobicContact CG-CB 3.88Å; F16-L71 HydrophobicContact CG-CD2 3.6Å; F16-L71 HydrophobicContact CG-CG 4.35Å; F16-L71 HydrophobicContact CZ-CB 3.83Å; F16-V117 HydrophobicContact CD2-CG1 4.05Å; F16-V117 HydrophobicContact CE2-CG1 3.8Å; F16-T118 PolarHBondContact N-O 2.9Å; F16-I119 HydrophobicContact CB-CG1 4.33Å; F16-I119 HydrophobicContact CD2-CG1 4.47Å; F16-E120 PolarHBondContact O-N 2.92Å
17R90.3Very high93.1Very high148 Ų14859.1 Ų59.156%0.55832%0.322SS*.  trans-123.8158.9-172.6-70.1-171.6169.9169.13.1111.4Y20 Q24 E120R17-Y20 VanDerWaalsContact C-CZ 3.47Å; R17-Y20 VanDerWaalsContact C-OH 3.29Å; R17-Y20 WeakPolarHBondContact CA-OH 3.47Å; R17-Y20 WeakPolarHBondContact O-CE1 3.29Å; R17-Q24 PolarHBondContact O-NE2 3.01Å; R17-Q24 PolarHBondContact O-OE1 3.19Å; R17-E120 WeakPolarHBondContact CD-OE2 3.36Å; R17-E120 HydrophobicContact CG-CB 4.5Å; R17-E120 HydrophobicContact CG-CG 4.45Å; R17-E120 VanDerWaalsContact CG-OE2 3.31Å; R17-E120 WeakPolarHBondContact CG-OE2 3.43Å; R17-E120 IonicContact CZ-OE2 3.57Å; R17-E120 IonicContact NE-OE1 3.55Å; R17-E120 IonicContact NE-OE2 2.76Å; R17-E120 PolarHBondContact NE-OE2 3Å; R17-E120 IonicContact NH2-OE1 3.51Å; R17-E120 IonicContact NH2-OE2 3.61Å
18S86Confident93.2Very high25 Ų2559 Ų5918%0.17532%0.322CS..SBendtrans-59.2148.7174.240.60000111.1Y20 D126S18-Y20 VanDerWaalsContact N-CZ 3.29Å; S18-Y20 PolarHBondContact N-OH 3.1Å; S18-Y20 VanDerWaalsContact N-OH 3.09Å; S18-D126 VanDerWaalsContact CB-OD2 3.28Å; S18-D126 WeakPolarHBondContact CB-OD2 3.44Å; S18-D126 PolarHBondContact OG-OD2 2.68Å
19P87.2Confident93.3Very high63 Ų6360.6 Ų60.641%0.40932%0.324SS..  cis-88.3147.24.436.3-36.4000114N21 Q24 V128P19-N21 WeakPolarHBondContact CB-OD1 3.39Å; P19-Q24 PolarHBondContact O-NE2 3.29Å; P19-V128 HydrophobicContact CB-CG2 4.09Å
20Y88.5Confident93.4Very high4 Ų459.3 Ų59.32%0.01632%0.315CS..  trans-97.75.5-176.7-53.1-59.7000114.7F16 R17 S18 K22 L71 P73 L74 F80 I119 E120 P122 V128F16-Y20 PolarHBondContact O-OH 2.85Å; R17-Y20 VanDerWaalsContact C-CZ 3.47Å; R17-Y20 VanDerWaalsContact C-OH 3.29Å; R17-Y20 WeakPolarHBondContact CA-OH 3.47Å; R17-Y20 WeakPolarHBondContact O-CE1 3.29Å; S18-Y20 VanDerWaalsContact N-CZ 3.29Å; S18-Y20 PolarHBondContact N-OH 3.1Å; S18-Y20 VanDerWaalsContact N-OH 3.09Å; Y20-K22 PolarHBondContact O-N 2.79Å; Y20-L71 HydrophobicContact CD1-CD2 4.19Å; Y20-P73 CarbonylContact O-C 3.59Å; Y20-P73 VanDerWaalsContact O-CA 3.3Å; Y20-P73 WeakPolarHBondContact O-CA 3.23Å; Y20-L74 HydrophobicContact CD1-CD1 4.21Å; Y20-L74 HydrophobicContact CG-CD1 4.14Å; Y20-L74 PolarHBondContact O-N 3.41Å; Y20-F80 AromaticContact CD2-CE1 3.99Å; Y20-F80 HydrophobicContact CD2-CE1 3.99Å; Y20-F80 HydrophobicContact CD2-CZ 4.05Å; Y20-F80 AromaticContact CE2-CE1 3.57Å; Y20-F80 HydrophobicContact CE2-CE1 3.57Å; Y20-F80 AromaticContact CE2-CZ 3.96Å; Y20-F80 HydrophobicContact CE2-CZ 3.96Å; Y20-I119 HydrophobicContact CD1-CG2 4.22Å; Y20-I119 HydrophobicContact CE1-CG2 3.66Å; Y20-I119 HydrophobicContact CE2-CG2 4.34Å; Y20-E120 PolarHBondContact OH-O 3.46Å; Y20-P122 HydrophobicContact CE2-CB 4.39Å; Y20-V128 HydrophobicContact CD2-CG1 4.33Å
21N85.5Confident93.4Very high101 Ų10155.1 Ų55.154%0.5430%0.297SS..SBendtrans-76.8-11.117764.7-23.6000113.1P19P19-N21 WeakPolarHBondContact CB-OD1 3.39Å
22K89.3Confident93.5Very high151 Ų15154.2 Ų54.266%0.65729%0.29SS*.SBendtrans-121.7154.1176.7-66.2-177.2-179.5-178.10109.6Y20Y20-K22 PolarHBondContact O-N 2.79Å
23A93.4Very high93.5Very high34 Ų3452.4 Ų52.428%0.28128%0.276SS..  trans-66.3141.2172.900000109.8R70 L71A23-R70 HydrophobicContact CB-CG 4.34Å; A23-R70 VanDerWaalsContact CB-NE 3.35Å; A23-L71 CarbonylContact C-O 3.58Å; A23-L71 WeakPolarHBondContact CA-O 3.37Å; A23-L71 WeakPolarHBondContact CB-O 3.13Å
24Q95.2Very high93.3Very high42 Ų4246.6 Ų46.620%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-122.1145.3177-66.817344.800109.1F16 R17 P19 R70 L71F16-Q24 HydrophobicContact CD1-CB 3.69Å; F16-Q24 HydrophobicContact CE1-CB 4.06Å; R17-Q24 PolarHBondContact O-NE2 3.01Å; R17-Q24 PolarHBondContact O-OE1 3.19Å; P19-Q24 PolarHBondContact O-NE2 3.29Å; Q24-R70 CarbonylContact O-C 3.53Å; Q24-R70 WeakPolarHBondContact O-CA 3.38Å; Q24-L71 HydrophobicContact CB-CB 4.46Å; Q24-L71 PolarHBondContact N-O 3.09Å; Q24-L71 PolarHBondContact O-N 2.95Å
25T97Very high93.2Very high72 Ų7254.7 Ų54.744%0.44229%0.293SS..EExtended strand (participates in β ladder)trans-124.7134.1177.8-57.50000109.1Q68 L69T25-Q68 HydrophobicContact CG2-CB 3.86Å; T25-Q68 HydrophobicContact CG2-CG 4.38Å; T25-L69 WeakPolarHBondContact CA-O 3.49Å
26V96.8Very high93.1Very high42 Ų4256.5 Ų56.526%0.25529%0.294SS..EExtended strand (participates in β ladder)trans-118127.8169.6178.50000107.8F14 F16 L69F14-V26 HydrophobicContact CD1-CB 4.17Å; F14-V26 HydrophobicContact CD1-CG1 3.72Å; F14-V26 HydrophobicContact CE1-CG1 4.29Å; F16-V26 HydrophobicContact CD1-CG2 4.03Å; F16-V26 HydrophobicContact CE1-CB 4.34Å; F16-V26 HydrophobicContact CE1-CG2 3.62Å; F16-V26 HydrophobicContact CZ-CB 4.34Å; F16-V26 HydrophobicContact CZ-CG2 3.98Å; V26-L69 PolarHBondContact N-O 3.42Å; V26-L69 PolarHBondContact O-N 3.07Å
27S96.9Very high93.1Very high59 Ų5958.3 Ų58.341%0.41330%0.301SS..EExtended strand (participates in β ladder)trans-95.8147.3174.3-62.40000110.9E66 L67S27-E66 VanDerWaalsContact CB-OE1 3.25Å; S27-E66 WeakPolarHBondContact CB-OE1 3.38Å; S27-E66 PolarHBondContact OG-OE1 2.86Å; S27-L67 CarbonylContact C-O 3.5Å; S27-L67 VanDerWaalsContact CA-O 3.29Å; S27-L67 WeakPolarHBondContact CA-O 3.2Å
28T97Very high93.4Very high7 Ų751.3 Ų51.34%0.04328%0.275CS..EExtended strand (participates in β ladder)trans-142.4177.4163.7-1650000109.1A11 F14 L67A11-T28 HydrophobicContact CB-CG2 4.21Å; A11-T28 WeakPolarHBondContact CB-OG1 3.17Å; A11-T28 PolarHBondContact N-OG1 3.03Å; F14-T28 HydrophobicContact CE1-CG2 3.76Å; F14-T28 HydrophobicContact CZ-CG2 3.51Å; T28-L67 HydrophobicContact CG2-CB 3.97Å; T28-L67 HydrophobicContact CG2-CD2 3.99Å; T28-L67 HydrophobicContact CG2-CG 4.42Å; T28-L67 PolarHBondContact N-O 2.84Å; T28-L67 PolarHBondContact O-N 2.86Å
29F97Very high93.9Very high71 Ų7150.2 Ų50.231%0.31127%0.267SS..EExtended strand (participates in β ladder)trans-121145.3173.8-63.2-87000112E10 K64 E65 E66E10-F29 HydrophobicContact CG-CB 4.26Å; E10-F29 PolarHBondContact N-O 3.04Å; E10-F29 VanDerWaalsContact N-O 3.09Å; E10-F29 VanDerWaalsContact OE2-CD2 3.29Å; E10-F29 WeakPolarHBondContact OE2-CD2 3.47Å; F29-K64 HydrophobicContact CB-CD 4.13Å; F29-K64 HydrophobicContact CB-CG 3.92Å; F29-K64 HydrophobicContact CD1-CD 4.23Å; F29-K64 HydrophobicContact CD1-CG 3.97Å; F29-K64 HydrophobicContact CG-CD 4.28Å; F29-K64 HydrophobicContact CG-CG 4.26Å; F29-E65 WeakPolarHBondContact CA-O 3.16Å; F29-E66 HydrophobicContact CD1-CB 4Å; F29-E66 HydrophobicContact CD1-CG 4.32Å; F29-E66 HydrophobicContact CE1-CB 3.76Å; F29-E66 HydrophobicContact CE1-CG 3.95Å; F29-E66 HydrophobicContact CZ-CG 4.32Å
30L97Very high94.3Very high0 Ų047.3 Ų47.30%025%0.248CC..EExtended strand (participates in β ladder)trans-113.1130.8172.9-64.8173000108.5L7 S8 C9 L40 I42 F57 K64 E65 L67 F88L7-L30 HydrophobicContact CD1-CB 4.23Å; S8-L30 WeakPolarHBondContact O-CA 3.48Å; C9-L30 HydrophobicContact CB-CD2 3.62Å; L30-L40 HydrophobicContact CD1-CD2 4.3Å; L30-I42 HydrophobicContact CD1-CD1 4.41Å; L30-F57 HydrophobicContact CD1-CE1 4.48Å; L30-F57 HydrophobicContact CD1-CZ 3.68Å; L30-K64 CarbonylContact O-C 3.56Å; L30-K64 WeakPolarHBondContact O-CA 3.48Å; L30-E65 PolarHBondContact N-O 3.26Å; L30-E65 PolarHBondContact O-N 2.88Å; L30-L67 HydrophobicContact CD1-CB 4.31Å; L30-L67 HydrophobicContact CD1-CD2 4.28Å; L30-F88 HydrophobicContact CD1-CD1 3.97Å; L30-F88 HydrophobicContact CD1-CE1 3.73Å; L30-F88 HydrophobicContact CD2-CD1 4.22Å; L30-F88 HydrophobicContact CD2-CE1 3.98Å; L30-F88 HydrophobicContact CD2-CZ 4.23Å; L30-F88 HydrophobicContact CG-CE1 4.42Å
31T96.9Very high94.7Very high23 Ų2348.8 Ų48.814%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-123.6132.2-178.7-520000109.8S8 D33S8-T31 PolarHBondContact N-O 3.24Å; S8-T31 PolarHBondContact O-N 2.93Å; S8-T31 WeakPolarHBondContact OG-CB 3.34Å; S8-T31 PolarHBondContact OG-O 2.95Å; T31-D33 WeakPolarHBondContact CG2-OD1 3.16Å; T31-D33 PolarHBondContact O-N 2.66Å
32N96.3Very high95.3Very high0 Ų044.3 Ų44.30%023%0.231CC..EExtended strand (participates in β ladder)trans-90.397.7171179.915.7000109.1H6 G34 K36 I38 L59 E60 G62 A63H6-N32 PolarHBondContact O-OD1 3.4Å; N32-G34 PolarHBondContact O-N 2.96Å; N32-G34 WeakPolarHBondContact OD1-CA 3.44Å; N32-G34 PolarHBondContact OD1-N 3.01Å; N32-K36 PolarHBondContact ND2-O 3Å; N32-I38 HydrophobicContact CB-CD1 3.92Å; N32-I38 HydrophobicContact CB-CG1 4.27Å; N32-L59 HydrophobicContact CB-CB 4.33Å; N32-L59 HydrophobicContact CB-CD2 3.72Å; N32-L59 HydrophobicContact CB-CG 3.78Å; N32-L59 PolarHBondContact ND2-O 2.9Å; N32-E60 WeakPolarHBondContact CB-O 3.19Å; N32-E60 PolarHBondContact ND2-O 2.79Å; N32-E60 VanDerWaalsContact ND2-O 3.16Å; N32-G62 VanDerWaalsContact O-CA 3.3Å; N32-G62 WeakPolarHBondContact O-CA 3.41Å; N32-G62 PolarHBondContact O-N 2.93Å; N32-A63 PolarHBondContact N-O 3.3Å; N32-A63 VanDerWaalsContact N-O 3.12Å
33D94.2Very high95.6Very high91 Ų9143.1 Ų43.149%0.48722%0.222SC..  trans-80.5-1.2176.8-57.5-50.2000112.1H6 S8 T31H6-D33 HydrophobicContact CB-CB 4.13Å; H6-D33 IonicContact CD2-OD2 3.78Å; H6-D33 PolarHBondContact O-N 2.7Å; S8-D33 WeakPolarHBondContact CB-OD2 3.26Å; S8-D33 PolarHBondContact OG-OD2 2.76Å; T31-D33 WeakPolarHBondContact CG2-OD1 3.16Å; T31-D33 PolarHBondContact O-N 2.66Å
34G92.5Very high95.7Very high9 Ų942.4 Ų42.49%0.09321%0.214CC..SBendtrans-80.8166.7176.900000113.8H6 N32 P61H6-G34 PolarHBondContact O-N 2.88Å; N32-G34 PolarHBondContact O-N 2.96Å; N32-G34 WeakPolarHBondContact OD1-CA 3.44Å; N32-G34 PolarHBondContact OD1-N 3.01Å; G34-P61 WeakPolarHBondContact O-CB 3.38Å
35M91.8Very high95.7Very high171 Ų17143.6 Ų43.684%0.84223%0.225SC*.SBendtrans-86.9-3177.4-62.7-174-70.300114P61M35-P61 WeakPolarHBondContact O-CG 3.29Å
36K92.8Very high95.4Very high72 Ų7242.5 Ų42.531%0.31322%0.216SC..SBendtrans-124.4148.1-171.7-72.4167.6144.2-160.40110.3T3 N32 Q92T3-K36 HydrophobicContact CG2-CD 4.31Å; N32-K36 PolarHBondContact ND2-O 3Å; K36-Q92 HydrophobicContact CB-CG 3.9Å; K36-Q92 VanDerWaalsContact CD-CD 3.41Å; K36-Q92 HydrophobicContact CD-CG 4.06Å; K36-Q92 HydrophobicContact CG-CG 4.48Å; K36-Q92 VanDerWaalsContact NZ-CD 3.28Å; K36-Q92 VanDerWaalsContact NZ-NE2 3.1Å
37R94.4Very high95.1Very high39 Ų3945.3 Ų45.315%0.14723%0.23CC..  trans-63.8137.7174.1-175.1-178.1-67177.22.4110.3E60 V93 D95R37-E60 IonicContact CZ-OE1 3.88Å; R37-E60 IonicContact CZ-OE2 3.6Å; R37-E60 VanDerWaalsContact CZ-OE2 3.29Å; R37-E60 IonicContact NE-OE1 2.66Å; R37-E60 PolarHBondContact NE-OE1 3.14Å; R37-E60 IonicContact NE-OE2 3.01Å; R37-E60 PolarHBondContact NE-OE2 2.99Å; R37-E60 IonicContact NH1-OE1 2.93Å; R37-E60 IonicContact NH2-OE1 3.29Å; R37-E60 PolarHBondContact NH2-OE1 2.9Å; R37-E60 IonicContact NH2-OE2 3.4Å; R37-E60 PolarHBondContact NH2-OE2 3.01Å; R37-V93 PolarHBondContact O-N 2.73Å; R37-D95 WeakPolarHBondContact CB-OD1 3.49Å; R37-D95 IonicContact CZ-OD1 2.79Å; R37-D95 IonicContact NE-OD1 2.64Å; R37-D95 PolarHBondContact NE-OD1 2.76Å; R37-D95 PolarHBondContact NH1-O 2.82Å; R37-D95 IonicContact NH2-OD1 3.97Å
38I95.4Very high94.8Very high1 Ų148.5 Ų48.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-119.3145.6179.863.1171.8000110.9V5 L7 N32 L40 L58 L59 G91V5-I38 HydrophobicContact CG1-CG2 3.46Å; V5-I38 VanDerWaalsContact CG1-CG2 3.46Å; L7-I38 HydrophobicContact CB-CD1 4.3Å; L7-I38 HydrophobicContact CD1-CD1 3.88Å; N32-I38 HydrophobicContact CB-CD1 3.92Å; N32-I38 HydrophobicContact CB-CG1 4.27Å; I38-L40 HydrophobicContact CD1-CD1 3.76Å; I38-L40 HydrophobicContact CD1-CG 4.25Å; I38-L40 HydrophobicContact CG1-CD1 3.72Å; I38-L58 WeakPolarHBondContact O-CA 3.47Å; I38-L59 HydrophobicContact CD1-CB 4.15Å; I38-L59 HydrophobicContact CD1-CD2 4.31Å; I38-L59 HydrophobicContact CG1-CB 3.74Å; I38-L59 PolarHBondContact N-O 2.85Å; I38-L59 PolarHBondContact O-N 3.41Å; I38-G91 CarbonylContact C-O 3.51Å; I38-G91 VanDerWaalsContact CA-O 3.29Å; I38-G91 WeakPolarHBondContact CA-O 3.46Å
39G96.2Very high94.6Very high2 Ų249.2 Ų49.22%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-103.6134.316700000109.7Y90 G91 V93G39-Y90 VanDerWaalsContact O-CA 3.26Å; G39-Y90 WeakPolarHBondContact O-CA 3.33Å; G39-G91 PolarHBondContact N-O 2.98Å; G39-G91 PolarHBondContact O-N 2.88Å; G39-G91 VanDerWaalsContact O-N 3.14Å; G39-V93 VanDerWaalsContact N-CG2 3.31Å
40L96.2Very high94.5Very high2 Ų246 Ų461%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-115.4145.5-179.2-62.893.9000111.5L7 L30 I38 Y56 F57 L59 L89L7-L40 HydrophobicContact CD1-CD2 3.85Å; L7-L40 HydrophobicContact CD2-CD2 3.33Å; L7-L40 HydrophobicContact CD2-CG 4.34Å; L7-L40 HydrophobicContact CG-CD2 4.26Å; L30-L40 HydrophobicContact CD1-CD2 4.3Å; I38-L40 HydrophobicContact CD1-CD1 3.76Å; I38-L40 HydrophobicContact CD1-CG 4.25Å; I38-L40 HydrophobicContact CG1-CD1 3.72Å; L40-Y56 WeakPolarHBondContact O-CA 3.4Å; L40-F57 HydrophobicContact CB-CD1 4.35Å; L40-F57 HydrophobicContact CB-CE1 3.95Å; L40-F57 HydrophobicContact CB-CE2 4.43Å; L40-F57 HydrophobicContact CB-CZ 4Å; L40-F57 HydrophobicContact CD1-CD2 4.14Å; L40-F57 HydrophobicContact CD1-CE2 3.75Å; L40-F57 HydrophobicContact CD1-CZ 4.07Å; L40-F57 HydrophobicContact CD2-CE1 4.43Å; L40-F57 HydrophobicContact CD2-CE2 4.19Å; L40-F57 HydrophobicContact CD2-CZ 3.75Å; L40-F57 HydrophobicContact CG-CE2 4.36Å; L40-F57 HydrophobicContact CG-CZ 4.18Å; L40-F57 PolarHBondContact N-O 3.45Å; L40-F57 PolarHBondContact O-N 3.01Å; L40-L59 HydrophobicContact CD1-CB 3.71Å; L40-L89 CarbonylContact C-O 3.44Å; L40-L89 WeakPolarHBondContact CA-O 3.48Å
41K97.2Very high94.4Very high35 Ų3552.5 Ų52.515%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-127.9127.6164.6178.5-178.9-175.8161.60109.6V55 Y56 L89 W104K41-V55 CarbonylContact C-O 3.58Å; K41-V55 VanDerWaalsContact CA-O 3.31Å; K41-V55 WeakPolarHBondContact CA-O 3.46Å; K41-Y56 HydrophobicContact CB-CD1 4.02Å; K41-Y56 HydrophobicContact CB-CE1 3.9Å; K41-Y56 HydrophobicContact CD-CD1 4.5Å; K41-Y56 HydrophobicContact CD-CE1 3.57Å; K41-Y56 WeakPolarHBondContact CE-OH 3.43Å; K41-Y56 HydrophobicContact CG-CD1 4.07Å; K41-Y56 HydrophobicContact CG-CE1 3.57Å; K41-Y56 PolarHBondContact NZ-OH 3.31Å; K41-L89 HydrophobicContact CB-CB 4.47Å; K41-L89 PolarHBondContact N-O 3.36Å; K41-L89 WeakPolarHBondContact O-CD1 3.21Å; K41-L89 PolarHBondContact O-N 2.9Å; K41-W104 HydrophobicContact CB-CD2 3.67Å; K41-W104 HydrophobicContact CB-CE3 3.61Å; K41-W104 HydrophobicContact CB-CG 4.48Å; K41-W104 HydrophobicContact CB-CH2 3.84Å; K41-W104 HydrophobicContact CB-CZ2 3.85Å; K41-W104 HydrophobicContact CB-CZ3 3.7Å; K41-W104 HydrophobicContact CD-CD2 4.19Å; K41-W104 HydrophobicContact CD-CZ2 3.8Å; K41-W104 HydrophobicContact CG-CZ2 4.47Å
42I97.3Very high94.4Very high7 Ų752.9 Ų52.94%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-100.1135.1177.1-60.3-175.2000110L30 V52 V55 F57 L67 I86 F88L30-I42 HydrophobicContact CD1-CD1 4.41Å; I42-V52 HydrophobicContact CG2-CG1 4.02Å; I42-V52 HydrophobicContact CG2-CG2 4.24Å; I42-V55 PolarHBondContact N-O 2.84Å; I42-F57 HydrophobicContact CD1-CE1 3.81Å; I42-F57 HydrophobicContact CG1-CE1 4.28Å; I42-L67 HydrophobicContact CD1-CD1 3.31Å; I42-L67 HydrophobicContact CD1-CD2 4.05Å; I42-L67 HydrophobicContact CD1-CG 4.28Å; I42-I86 HydrophobicContact CG2-CD1 3.63Å; I42-I86 HydrophobicContact CG2-CG1 3.67Å; I42-F88 HydrophobicContact CD1-CD1 3.99Å; I42-F88 HydrophobicContact CD1-CE1 3.7Å; I42-F88 HydrophobicContact CG1-CD1 3.86Å; I42-F88 HydrophobicContact CG1-CE1 4.02Å
43R96.5Very high94.4Very high126 Ų12656.4 Ų56.448%0.47528%0.277SS..EExtended strand (participates in β ladder)trans-126.2146171.4-61.5-172.8-169.6-1642.6110.1I86 T87 L89R43-I86 CarbonylContact O-C 3.56Å; R43-I86 WeakPolarHBondContact O-CA 3.37Å; R43-T87 PolarHBondContact N-O 3.41Å; R43-T87 PolarHBondContact O-N 2.89Å; R43-L89 HydrophobicContact CB-CD1 4.39Å; R43-L89 HydrophobicContact CG-CD1 3.71Å
44T95.9Very high94.5Very high19 Ų1955.3 Ų55.312%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-114.9157.9169.962.20000109.4D46 N47 F50 V52 L69 I86T44-D46 VanDerWaalsContact C-N 3.26Å; T44-D46 PolarHBondContact O-N 2.88Å; T44-D46 PolarHBondContact OG1-O 2.92Å; T44-N47 PolarHBondContact OG1-OD1 2.96Å; T44-F50 HydrophobicContact CG2-CB 4.02Å; T44-V52 HydrophobicContact CG2-CG1 4.13Å; T44-L69 HydrophobicContact CG2-CD1 4.29Å; T44-I86 HydrophobicContact CG2-CG1 4.4Å
45T93.5Very high94.7Very high68 Ų6858 Ų5842%0.41728%0.282SS..SBendtrans-62.3-36174.5-47.60000112.2H85T45-H85 PolarHBondContact N-O 2.8Å; T45-H85 VanDerWaalsContact N-O 3.1Å; T45-H85 PolarHBondContact OG1-CE1 3.29Å; T45-H85 VanDerWaalsContact OG1-CE1 3.26Å; T45-H85 PolarHBondContact OG1-N 3.16Å; T45-H85 PolarHBondContact OG1-ND1 3.31Å; T45-H85 VanDerWaalsContact OG1-ND1 3.1Å; T45-H85 PolarHBondContact OG1-O 3.08Å
46D91.2Very high94.9Very high49 Ų4953.2 Ų53.226%0.26226%0.255SS..  trans-139.6111.2-179.3-174.5-7000110.8T44 N48 I49 F50T44-D46 VanDerWaalsContact C-N 3.26Å; T44-D46 PolarHBondContact O-N 2.88Å; T44-D46 PolarHBondContact OG1-O 2.92Å; D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact O-N 3.39Å; D46-N48 WeakPolarHBondContact OD1-CA 3.39Å; D46-N48 VanDerWaalsContact OD1-CB 3.23Å; D46-N48 WeakPolarHBondContact OD1-CB 3.31Å; D46-N48 PolarHBondContact OD1-N 2.88Å; D46-N48 PolarHBondContact OD1-ND2 3.05Å; D46-I49 HydrophobicContact CB-CD1 3.93Å; D46-I49 HydrophobicContact CB-CG1 3.81Å; D46-F50 PolarHBondContact O-N 2.91Å; D46-F50 VanDerWaalsContact O-N 3.13Å
47N91.5Very high95.1Very high101 Ų10150.5 Ų50.554%0.5424%0.244SC..THydrogen-bonded Turntrans-76.5-11.7179.6-64.6-48.5000113.2T44 R51T44-N47 PolarHBondContact OG1-OD1 2.96Å; N47-R51 PolarHBondContact O-NE 3.09Å
48N89.7Confident95.2Very high126 Ų12650.5 Ų50.567%0.67425%0.246SC*.THydrogen-bonded Turntrans-82-26.7179.4-60.1-49.4000112.2D46 L72D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact O-N 3.39Å; D46-N48 WeakPolarHBondContact OD1-CA 3.39Å; D46-N48 VanDerWaalsContact OD1-CB 3.23Å; D46-N48 WeakPolarHBondContact OD1-CB 3.31Å; D46-N48 PolarHBondContact OD1-N 2.88Å; D46-N48 PolarHBondContact OD1-ND2 3.05Å; N48-L72 VanDerWaalsContact O-CD1 3.28Å; N48-L72 WeakPolarHBondContact O-CD1 3.36Å
49I92.4Very high95.2Very high22 Ų2250.6 Ų50.611%0.11325%0.247CC..THydrogen-bonded Turntrans-109.7-28-179.667-177.6000112.6D46 L71 L72 L74 F78D46-I49 HydrophobicContact CB-CD1 3.93Å; D46-I49 HydrophobicContact CB-CG1 3.81Å; I49-L71 HydrophobicContact CB-CD1 4.47Å; I49-L72 PolarHBondContact O-N 3.31Å; I49-L74 HydrophobicContact CB-CD2 4.18Å; I49-L74 HydrophobicContact CG2-CD2 4.04Å; I49-F78 HydrophobicContact CD1-CE2 3.67Å; I49-F78 HydrophobicContact CD1-CZ 4.19Å
50F95.1Very high95.2Very high4 Ų454.4 Ų54.42%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-110.6133178-61.8-66.7000111.6F16 T44 D46 L69 R70 L71 N84 V117 I119F16-F50 HydrophobicContact CD2-CE1 4.12Å; F16-F50 HydrophobicContact CE2-CD1 4.27Å; F16-F50 AromaticContact CE2-CE1 3.76Å; F16-F50 HydrophobicContact CE2-CE1 3.76Å; T44-F50 HydrophobicContact CG2-CB 4.02Å; D46-F50 PolarHBondContact O-N 2.91Å; D46-F50 VanDerWaalsContact O-N 3.13Å; F50-L69 HydrophobicContact CB-CD1 4.03Å; F50-L69 HydrophobicContact CD1-CD1 4.27Å; F50-L69 HydrophobicContact CD1-CG 4.43Å; F50-L69 HydrophobicContact CG-CD1 4.42Å; F50-R70 CarbonylContact C-O 3.59Å; F50-R70 WeakPolarHBondContact CA-O 3.34Å; F50-L71 HydrophobicContact CD1-CB 4.48Å; F50-L71 HydrophobicContact CD1-CD1 4.09Å; F50-L71 HydrophobicContact CE1-CB 4.38Å; F50-L71 HydrophobicContact CE1-CD1 3.65Å; F50-L71 HydrophobicContact CZ-CD1 4.23Å; F50-N84 HydrophobicContact CE2-CB 3.68Å; F50-N84 HydrophobicContact CZ-CB 4.08Å; F50-V117 HydrophobicContact CD1-CG1 4.41Å; F50-V117 HydrophobicContact CE1-CG1 3.55Å; F50-V117 HydrophobicContact CE2-CG1 4.31Å; F50-V117 HydrophobicContact CZ-CB 4.38Å; F50-V117 HydrophobicContact CZ-CG1 3.5Å; F50-V117 VanDerWaalsContact CZ-CG1 3.5Å; F50-I119 HydrophobicContact CE1-CD1 4.44Å; F50-I119 HydrophobicContact CZ-CD1 3.86Å; F50-I119 HydrophobicContact CZ-CG1 4.39Å
51R96Very high95.1Very high136 Ų13657.1 Ų57.151%0.51328%0.282SS..EExtended strand (participates in β ladder)trans-120.9137.3171.1-62.4-63-176.8171.3-2109.3N47 R70 L72N47-R51 PolarHBondContact O-NE 3.09Å; R51-R70 HydrophobicContact CB-CB 4.34Å; R51-R70 PolarHBondContact N-O 3.45Å; R51-R70 PolarHBondContact O-N 3.39Å; R51-L72 HydrophobicContact CG-CD1 3.88Å; R51-L72 HydrophobicContact CG-CD2 4.23Å; R51-L72 HydrophobicContact CG-CG 4.08Å
52V96.9Very high95Very high30 Ų3058.3 Ų58.318%0.18230%0.304CS..EExtended strand (participates in β ladder)trans-108.8143.2172.4-66.60000109I42 T44 K54 V55 L67 Q68 L69 I86I42-V52 HydrophobicContact CG2-CG1 4.02Å; I42-V52 HydrophobicContact CG2-CG2 4.24Å; T44-V52 HydrophobicContact CG2-CG1 4.13Å; V52-K54 VanDerWaalsContact C-N 3.28Å; V52-K54 WeakPolarHBondContact CG2-O 3.39Å; V52-K54 PolarHBondContact O-N 3.12Å; V52-V55 HydrophobicContact CG2-CG2 3.79Å; V52-L67 HydrophobicContact CB-CD1 4.39Å; V52-Q68 WeakPolarHBondContact CA-O 3.47Å; V52-L69 HydrophobicContact CG1-CD1 3.65Å; V52-I86 HydrophobicContact CG1-CD1 4.03Å
53N96.4Very high94.9Very high75 Ų7559.5 Ų59.540%0.40132%0.315SS..SBendtrans-64.1-34.217664.5-27.6000112.2E66 Q68N53-E66 PolarHBondContact ND2-O 3.1Å; N53-Q68 HydrophobicContact CB-CB 4.03Å; N53-Q68 PolarHBondContact N-O 2.72Å; N53-Q68 VanDerWaalsContact N-O 3.09Å; N53-Q68 PolarHBondContact OD1-N 3.47Å; N53-Q68 PolarHBondContact OD1-O 2.79Å
54K95.2Very high94.9Very high68 Ų6858.5 Ų58.530%0.29631%0.314SS..  trans-129124.3-178.4-65177.2178.9179.40109.9V52 F57 E65V52-K54 VanDerWaalsContact C-N 3.28Å; V52-K54 WeakPolarHBondContact CG2-O 3.39Å; V52-K54 PolarHBondContact O-N 3.12Å; K54-F57 HydrophobicContact CB-CD1 3.89Å; K54-F57 HydrophobicContact CB-CE1 4.35Å; K54-E65 HydrophobicContact CD-CG 4.38Å; K54-E65 IonicContact NZ-OE1 3.84Å; K54-E65 PolarHBondContact NZ-OE1 3.21Å; K54-E65 IonicContact NZ-OE2 2.6Å; K54-E65 PolarHBondContact NZ-OE2 3.1Å
55V96.5Very high94.9Very high65 Ų6560.2 Ų60.239%0.39432%0.321SS..SBendtrans-97.6-41.3175-178.80000111.1K41 I42 V52K41-V55 CarbonylContact C-O 3.58Å; K41-V55 VanDerWaalsContact CA-O 3.31Å; K41-V55 WeakPolarHBondContact CA-O 3.46Å; I42-V55 PolarHBondContact N-O 2.84Å; V52-V55 HydrophobicContact CG2-CG2 3.79Å
56Y96.9Very high95.1Very high70 Ų7060.1 Ų60.128%0.27532%0.316SS..EExtended strand (participates in β ladder)trans-129.2131177.6-60.4-87.9000109.1L40 K41 K101 W104L40-Y56 WeakPolarHBondContact O-CA 3.4Å; K41-Y56 HydrophobicContact CB-CD1 4.02Å; K41-Y56 HydrophobicContact CB-CE1 3.9Å; K41-Y56 HydrophobicContact CD-CD1 4.5Å; K41-Y56 HydrophobicContact CD-CE1 3.57Å; K41-Y56 WeakPolarHBondContact CE-OH 3.43Å; K41-Y56 HydrophobicContact CG-CD1 4.07Å; K41-Y56 HydrophobicContact CG-CE1 3.57Å; K41-Y56 PolarHBondContact NZ-OH 3.31Å; Y56-K101 HydrophobicContact CD2-CG 4.26Å; Y56-K101 HydrophobicContact CG-CG 4.39Å; Y56-W104 HydrophobicContact CD1-CB 3.91Å; Y56-W104 HydrophobicContact CD1-CD2 4.45Å; Y56-W104 AromaticContact CD1-CG 3.9Å; Y56-W104 HydrophobicContact CD1-CG 3.9Å; Y56-W104 HydrophobicContact CE1-CB 4.07Å; Y56-W104 AromaticContact CE1-CD1 3.68Å; Y56-W104 HydrophobicContact CE1-CD2 4.24Å; Y56-W104 AromaticContact CE1-CG 3.65Å; Y56-W104 HydrophobicContact CE1-CG 3.65Å
57F95.9Very high95.4Very high16 Ų1657.9 Ų57.97%0.0730%0.304CS..EExtended strand (participates in β ladder)trans-157.7165.3173.161.9-77.8000110.2L30 L40 I42 K54 E65L30-F57 HydrophobicContact CD1-CE1 4.48Å; L30-F57 HydrophobicContact CD1-CZ 3.68Å; L40-F57 HydrophobicContact CB-CD1 4.35Å; L40-F57 HydrophobicContact CB-CE1 3.95Å; L40-F57 HydrophobicContact CB-CE2 4.43Å; L40-F57 HydrophobicContact CB-CZ 4Å; L40-F57 HydrophobicContact CD1-CD2 4.14Å; L40-F57 HydrophobicContact CD1-CE2 3.75Å; L40-F57 HydrophobicContact CD1-CZ 4.07Å; L40-F57 HydrophobicContact CD2-CE1 4.43Å; L40-F57 HydrophobicContact CD2-CE2 4.19Å; L40-F57 HydrophobicContact CD2-CZ 3.75Å; L40-F57 HydrophobicContact CG-CE2 4.36Å; L40-F57 HydrophobicContact CG-CZ 4.18Å; L40-F57 PolarHBondContact N-O 3.45Å; L40-F57 PolarHBondContact O-N 3.01Å; I42-F57 HydrophobicContact CD1-CE1 3.81Å; I42-F57 HydrophobicContact CG1-CE1 4.28Å; K54-F57 HydrophobicContact CB-CD1 3.89Å; K54-F57 HydrophobicContact CB-CE1 4.35Å; F57-E65 HydrophobicContact CD2-CG 4.03Å; F57-E65 HydrophobicContact CE2-CB 4.15Å; F57-E65 HydrophobicContact CE2-CG 3.82Å
58L96.4Very high95.7Very high38 Ų3856.6 Ų56.620%0.19929%0.294CS..EExtended strand (participates in β ladder)trans-105.2143.2175.2-63.4176.9000108.3I38 V93 I97 P100 A103I38-L58 WeakPolarHBondContact O-CA 3.47Å; L58-V93 HydrophobicContact CD2-CB 4.47Å; L58-V93 HydrophobicContact CD2-CG1 4.17Å; L58-V93 HydrophobicContact CD2-CG2 4.27Å; L58-I97 WeakPolarHBondContact CD1-O 3.29Å; L58-P100 HydrophobicContact CG-CB 4.2Å; L58-A103 HydrophobicContact CD2-CB 3.57Å
59L96.3Very high96Very high4 Ų450.6 Ų50.62%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-126.3120.3176-162.660000108.9L7 N32 I38 L40 A63 E65L7-L59 HydrophobicContact CD1-CD2 4.17Å; N32-L59 HydrophobicContact CB-CB 4.33Å; N32-L59 HydrophobicContact CB-CD2 3.72Å; N32-L59 HydrophobicContact CB-CG 3.78Å; N32-L59 PolarHBondContact ND2-O 2.9Å; I38-L59 HydrophobicContact CD1-CB 4.15Å; I38-L59 HydrophobicContact CD1-CD2 4.31Å; I38-L59 HydrophobicContact CG1-CB 3.74Å; I38-L59 PolarHBondContact N-O 2.85Å; I38-L59 PolarHBondContact O-N 3.41Å; L40-L59 HydrophobicContact CD1-CB 3.71Å; L59-A63 HydrophobicContact CD1-CB 3.79Å; L59-A63 HydrophobicContact CG-CB 4.29Å; L59-E65 HydrophobicContact CD1-CB 3.64Å
60E95.3Very high96.3Very high81 Ų8155.4 Ų55.438%0.37928%0.279SS..  trans-68.8157.9176.8-61.1-64.8172.100111N32 R37 G62 A63N32-E60 WeakPolarHBondContact CB-O 3.19Å; N32-E60 PolarHBondContact ND2-O 2.79Å; N32-E60 VanDerWaalsContact ND2-O 3.16Å; R37-E60 IonicContact CZ-OE1 3.88Å; R37-E60 IonicContact CZ-OE2 3.6Å; R37-E60 VanDerWaalsContact CZ-OE2 3.29Å; R37-E60 IonicContact NE-OE1 2.66Å; R37-E60 PolarHBondContact NE-OE1 3.14Å; R37-E60 IonicContact NE-OE2 3.01Å; R37-E60 PolarHBondContact NE-OE2 2.99Å; R37-E60 IonicContact NH1-OE1 2.93Å; R37-E60 IonicContact NH2-OE1 3.29Å; R37-E60 PolarHBondContact NH2-OE1 2.9Å; R37-E60 IonicContact NH2-OE2 3.4Å; R37-E60 PolarHBondContact NH2-OE2 3.01Å; E60-G62 PolarHBondContact O-N 2.61Å; E60-A63 HydrophobicContact CB-CB 3.9Å; E60-A63 WeakPolarHBondContact O-CB 3.3Å; E60-A63 PolarHBondContact O-N 3.47Å; E60-A63 VanDerWaalsContact O-N 3.08Å
61P95Very high96.3Very high59 Ų5955.3 Ų55.338%0.38328%0.278SS..THydrogen-bonded Turntrans-52.8127.6169.9-24.134.1000111.6G34 M35 A63G34-P61 WeakPolarHBondContact O-CB 3.38Å; M35-P61 WeakPolarHBondContact O-CG 3.29Å; P61-A63 PolarHBondContact O-N 3.4Å
62G94.7Very high96.1Very high61 Ų6150.9 Ų50.963%0.62927%0.265SS*.THydrogen-bonded Turntrans72.8-1-179.100000115.4N32 E60N32-G62 VanDerWaalsContact O-CA 3.3Å; N32-G62 WeakPolarHBondContact O-CA 3.41Å; N32-G62 PolarHBondContact O-N 2.93Å; E60-G62 PolarHBondContact O-N 2.61Å
63A95.9Very high95.9Very high31 Ų3152.9 Ų52.926%0.25628%0.279SS..  trans-78.2148.2177.700000111.7N32 L59 E60 P61N32-A63 PolarHBondContact N-O 3.3Å; N32-A63 VanDerWaalsContact N-O 3.12Å; L59-A63 HydrophobicContact CD1-CB 3.79Å; L59-A63 HydrophobicContact CG-CB 4.29Å; E60-A63 HydrophobicContact CB-CB 3.9Å; E60-A63 WeakPolarHBondContact O-CB 3.3Å; E60-A63 PolarHBondContact O-N 3.47Å; E60-A63 VanDerWaalsContact O-N 3.08Å; P61-A63 PolarHBondContact O-N 3.4Å
64K96.2Very high95.4Very high106 Ų10650.3 Ų50.346%0.46127%0.265SS..EExtended strand (participates in β ladder)trans-119.6134.9177.1-177.9173.8173.5175.60109.3E10 F29 L30E10-K64 VanDerWaalsContact OE1-CE 3.27Å; E10-K64 WeakPolarHBondContact OE1-CE 3.42Å; E10-K64 IonicContact OE1-NZ 2.76Å; E10-K64 PolarHBondContact OE1-NZ 3.02Å; E10-K64 IonicContact OE2-NZ 2.96Å; F29-K64 HydrophobicContact CB-CD 4.13Å; F29-K64 HydrophobicContact CB-CG 3.92Å; F29-K64 HydrophobicContact CD1-CD 4.23Å; F29-K64 HydrophobicContact CD1-CG 3.97Å; F29-K64 HydrophobicContact CG-CD 4.28Å; F29-K64 HydrophobicContact CG-CG 4.26Å; L30-K64 CarbonylContact O-C 3.56Å; L30-K64 WeakPolarHBondContact O-CA 3.48Å
65E96.9Very high94.4Very high55 Ų5549.8 Ų49.826%0.25728%0.279SS..EExtended strand (participates in β ladder)trans-132.3139-174.4-178.261.8-96.100111.3F29 L30 K54 F57 L59F29-E65 WeakPolarHBondContact CA-O 3.16Å; L30-E65 PolarHBondContact N-O 3.26Å; L30-E65 PolarHBondContact O-N 2.88Å; K54-E65 HydrophobicContact CD-CG 4.38Å; K54-E65 IonicContact NZ-OE1 3.84Å; K54-E65 PolarHBondContact NZ-OE1 3.21Å; K54-E65 IonicContact NZ-OE2 2.6Å; K54-E65 PolarHBondContact NZ-OE2 3.1Å; F57-E65 HydrophobicContact CD2-CG 4.03Å; F57-E65 HydrophobicContact CE2-CB 4.15Å; F57-E65 HydrophobicContact CE2-CG 3.82Å; L59-E65 HydrophobicContact CD1-CB 3.64Å
66E97.6Very high93.1Very high66 Ų6649.8 Ų49.831%0.30828%0.276SS..EExtended strand (participates in β ladder)trans-85.3123.7-179.8-166.9-168.5160.900111S27 F29 N53 Q68S27-E66 VanDerWaalsContact CB-OE1 3.25Å; S27-E66 WeakPolarHBondContact CB-OE1 3.38Å; S27-E66 PolarHBondContact OG-OE1 2.86Å; F29-E66 HydrophobicContact CD1-CB 4Å; F29-E66 HydrophobicContact CD1-CG 4.32Å; F29-E66 HydrophobicContact CE1-CB 3.76Å; F29-E66 HydrophobicContact CE1-CG 3.95Å; F29-E66 HydrophobicContact CZ-CG 4.32Å; N53-E66 PolarHBondContact ND2-O 3.1Å; E66-Q68 HydrophobicContact CG-CG 4.44Å; E66-Q68 PolarHBondContact OE1-NE2 2.95Å
67L97.2Very high91.8Very high2 Ų253.9 Ų53.91%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-104.2125.8171.717768.1000110.1F14 S27 T28 L30 I42 V52 I86 F88F14-L67 HydrophobicContact CZ-CD2 4.47Å; S27-L67 CarbonylContact C-O 3.5Å; S27-L67 VanDerWaalsContact CA-O 3.29Å; S27-L67 WeakPolarHBondContact CA-O 3.2Å; T28-L67 HydrophobicContact CG2-CB 3.97Å; T28-L67 HydrophobicContact CG2-CD2 3.99Å; T28-L67 HydrophobicContact CG2-CG 4.42Å; T28-L67 PolarHBondContact N-O 2.84Å; T28-L67 PolarHBondContact O-N 2.86Å; L30-L67 HydrophobicContact CD1-CB 4.31Å; L30-L67 HydrophobicContact CD1-CD2 4.28Å; I42-L67 HydrophobicContact CD1-CD1 3.31Å; I42-L67 HydrophobicContact CD1-CD2 4.05Å; I42-L67 HydrophobicContact CD1-CG 4.28Å; V52-L67 HydrophobicContact CB-CD1 4.39Å; L67-I86 HydrophobicContact CD2-CD1 3.91Å; L67-F88 HydrophobicContact CD2-CE1 3.42Å; L67-F88 VanDerWaalsContact CD2-CE1 3.42Å; L67-F88 HydrophobicContact CD2-CZ 3.51Å
68Q97.2Very high90.7Very high73 Ų7354.8 Ų54.834%0.34130%0.302SS..EExtended strand (participates in β ladder)trans-110.1117.7173.8-60.6-172.8-12.700109.9T25 V52 N53 E66T25-Q68 HydrophobicContact CG2-CB 3.86Å; T25-Q68 HydrophobicContact CG2-CG 4.38Å; V52-Q68 WeakPolarHBondContact CA-O 3.47Å; N53-Q68 HydrophobicContact CB-CB 4.03Å; N53-Q68 PolarHBondContact N-O 2.72Å; N53-Q68 VanDerWaalsContact N-O 3.09Å; N53-Q68 PolarHBondContact OD1-N 3.47Å; N53-Q68 PolarHBondContact OD1-O 2.79Å; E66-Q68 HydrophobicContact CG-CG 4.44Å; E66-Q68 PolarHBondContact OE1-NE2 2.95Å
69L97.3Very high89.8Confident0 Ų057.2 Ų57.20%032%0.315CS..EExtended strand (participates in β ladder)trans-100.2115.5172.2-177.864.5000109.1F14 F16 T25 V26 T44 F50 V52 I86 V117F14-L69 HydrophobicContact CB-CD2 4Å; F14-L69 HydrophobicContact CD1-CB 4.36Å; F14-L69 HydrophobicContact CD1-CD2 3.99Å; F14-L69 HydrophobicContact CD2-CD2 4.19Å; F14-L69 HydrophobicContact CE1-CB 4.4Å; F14-L69 HydrophobicContact CG-CD2 3.79Å; F16-L69 HydrophobicContact CE2-CD2 4Å; F16-L69 HydrophobicContact CE2-CG 4.33Å; F16-L69 HydrophobicContact CZ-CD2 4.13Å; F16-L69 HydrophobicContact CZ-CG 4.01Å; F16-L69 WeakPolarHBondContact CZ-O 3.28Å; T25-L69 WeakPolarHBondContact CA-O 3.49Å; V26-L69 PolarHBondContact N-O 3.42Å; V26-L69 PolarHBondContact O-N 3.07Å; T44-L69 HydrophobicContact CG2-CD1 4.29Å; F50-L69 HydrophobicContact CB-CD1 4.03Å; F50-L69 HydrophobicContact CD1-CD1 4.27Å; F50-L69 HydrophobicContact CD1-CG 4.43Å; F50-L69 HydrophobicContact CG-CD1 4.42Å; V52-L69 HydrophobicContact CG1-CD1 3.65Å; L69-I86 HydrophobicContact CD1-CD1 4.34Å; L69-V117 HydrophobicContact CD2-CG1 4.21Å; L69-V117 HydrophobicContact CD2-CG2 3.87Å
70R96.7Very high88.8Confident124 Ų12459.3 Ų59.347%0.46832%0.324SS..EExtended strand (participates in β ladder)trans-103.9122.2179.5-172.5176.9-176.6-172.6-0.5110.7A23 Q24 F50 R51A23-R70 HydrophobicContact CB-CG 4.34Å; A23-R70 VanDerWaalsContact CB-NE 3.35Å; Q24-R70 CarbonylContact O-C 3.53Å; Q24-R70 WeakPolarHBondContact O-CA 3.38Å; F50-R70 CarbonylContact C-O 3.59Å; F50-R70 WeakPolarHBondContact CA-O 3.34Å; R51-R70 HydrophobicContact CB-CB 4.34Å; R51-R70 PolarHBondContact N-O 3.45Å; R51-R70 PolarHBondContact O-N 3.39Å
71L95.1Very high87.7Confident1 Ų162 Ų621%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-84123.4165.2176.564.5000108.6F16 Y20 A23 Q24 I49 F50 L74 I119F16-L71 HydrophobicContact CB-CD2 3.51Å; F16-L71 HydrophobicContact CD1-CB 3.54Å; F16-L71 HydrophobicContact CD1-CD2 3.89Å; F16-L71 HydrophobicContact CD1-CG 4.37Å; F16-L71 HydrophobicContact CD2-CB 4.18Å; F16-L71 HydrophobicContact CD2-CD2 4.19Å; F16-L71 HydrophobicContact CE1-CB 3.5Å; F16-L71 HydrophobicContact CE2-CB 4.16Å; F16-L71 HydrophobicContact CG-CB 3.88Å; F16-L71 HydrophobicContact CG-CD2 3.6Å; F16-L71 HydrophobicContact CG-CG 4.35Å; F16-L71 HydrophobicContact CZ-CB 3.83Å; Y20-L71 HydrophobicContact CD1-CD2 4.19Å; A23-L71 CarbonylContact C-O 3.58Å; A23-L71 WeakPolarHBondContact CA-O 3.37Å; A23-L71 WeakPolarHBondContact CB-O 3.13Å; Q24-L71 HydrophobicContact CB-CB 4.46Å; Q24-L71 PolarHBondContact N-O 3.09Å; Q24-L71 PolarHBondContact O-N 2.95Å; I49-L71 HydrophobicContact CB-CD1 4.47Å; F50-L71 HydrophobicContact CD1-CB 4.48Å; F50-L71 HydrophobicContact CD1-CD1 4.09Å; F50-L71 HydrophobicContact CE1-CB 4.38Å; F50-L71 HydrophobicContact CE1-CD1 3.65Å; F50-L71 HydrophobicContact CZ-CD1 4.23Å; L71-L74 HydrophobicContact CD1-CD1 4.23Å; L71-L74 HydrophobicContact CD1-CD2 3.92Å; L71-L74 HydrophobicContact CD1-CG 4.14Å; L71-L74 HydrophobicContact CD2-CD1 4.12Å; L71-L74 HydrophobicContact CD2-CG 4.47Å; L71-L74 HydrophobicContact CG-CG 4.48Å; L71-I119 HydrophobicContact CD1-CD1 4.01Å; L71-I119 HydrophobicContact CD2-CD1 4.43Å; L71-I119 HydrophobicContact CD2-CG1 4.21Å
72L93.7Very high86.8Confident44 Ų4462 Ų6223%0.2334%0.341CS..PPolyproline II helixtrans-74.8155.6172-66.1177.8000110.6N48 I49 R51 L74N48-L72 VanDerWaalsContact O-CD1 3.28Å; N48-L72 WeakPolarHBondContact O-CD1 3.36Å; I49-L72 PolarHBondContact O-N 3.31Å; R51-L72 HydrophobicContact CG-CD1 3.88Å; R51-L72 HydrophobicContact CG-CD2 4.23Å; R51-L72 HydrophobicContact CG-CG 4.08Å; L72-L74 PolarHBondContact O-N 2.64Å
73P91.3Very high86.5Confident72 Ų7270 Ų7047%0.46835%0.352SS..PPolyproline II helixtrans-51.6126.6177.3-25.734.2000111.2Y20Y20-P73 CarbonylContact O-C 3.59Å; Y20-P73 VanDerWaalsContact O-CA 3.3Å; Y20-P73 WeakPolarHBondContact O-CA 3.23Å
74L85.5Confident86.4Confident21 Ų2169 Ų6911%0.1134%0.342CS..PPolyproline II helixtrans-89.1124.3178.9-61.3176.1000108.3Y20 I49 L71 L72 F78 I119Y20-L74 HydrophobicContact CD1-CD1 4.21Å; Y20-L74 HydrophobicContact CG-CD1 4.14Å; Y20-L74 PolarHBondContact O-N 3.41Å; I49-L74 HydrophobicContact CB-CD2 4.18Å; I49-L74 HydrophobicContact CG2-CD2 4.04Å; L71-L74 HydrophobicContact CD1-CD1 4.23Å; L71-L74 HydrophobicContact CD1-CD2 3.92Å; L71-L74 HydrophobicContact CD1-CG 4.14Å; L71-L74 HydrophobicContact CD2-CD1 4.12Å; L71-L74 HydrophobicContact CD2-CG 4.47Å; L71-L74 HydrophobicContact CG-CG 4.48Å; L72-L74 PolarHBondContact O-N 2.64Å; L74-F78 HydrophobicContact CB-CB 4.01Å; L74-F78 HydrophobicContact CB-CG 4.29Å; L74-F78 HydrophobicContact CD1-CB 4.29Å; L74-F78 HydrophobicContact CD1-CD1 3.7Å; L74-F78 HydrophobicContact CD1-CD2 4.2Å; L74-F78 HydrophobicContact CD1-CE1 4.06Å; L74-F78 HydrophobicContact CD1-CG 3.77Å; L74-F78 HydrophobicContact CD1-CZ 4.47Å; L74-F78 HydrophobicContact CD2-CB 4.44Å; L74-F78 HydrophobicContact CD2-CD2 3.6Å; L74-F78 HydrophobicContact CD2-CE2 3.98Å; L74-F78 HydrophobicContact CD2-CG 3.95Å; L74-F78 HydrophobicContact CG-CB 4.48Å; L74-F78 HydrophobicContact CG-CD2 4.37Å; L74-F78 HydrophobicContact CG-CG 4.23Å; L74-I119 HydrophobicContact CD1-CD1 3.99Å; L74-I119 HydrophobicContact CD1-CG2 3.94Å
75G75.4Confident86.4Confident57 Ų5767.5 Ų67.559%0.58834%0.337SS*.PPolyproline II helixtrans-63.9166.9167.600000111.4Q77 F78G75-Q77 PolarHBondContact O-N 3.42Å; G75-F78 PolarHBondContact O-N 2.75Å
76L69Low86.3Confident64 Ų6465 Ų6534%0.33533%0.325SS..THydrogen-bonded Turntrans-62.6-10.5-177.9-59.4171.1000114.5E131 L132 V135L76-E131 HydrophobicContact CD1-CG 3.98Å; L76-E131 VanDerWaalsContact CD1-OE1 3.24Å; L76-E131 WeakPolarHBondContact CD1-OE1 3.37Å; L76-E131 HydrophobicContact CD2-CB 4.25Å; L76-E131 VanDerWaalsContact CD2-CD 3.42Å; L76-E131 HydrophobicContact CD2-CG 3.69Å; L76-E131 HydrophobicContact CG-CG 4.5Å; L76-L132 HydrophobicContact CB-CD2 4.37Å; L76-L132 HydrophobicContact CD2-CD2 4.38Å; L76-L132 WeakPolarHBondContact O-CD2 3.4Å; L76-V135 HydrophobicContact CD1-CG2 3.89Å
77Q68.7Low86.3Confident156 Ų15662.5 Ų62.573%0.72932%0.315SS*.THydrogen-bonded Turntrans-9813.8-179.8-60.2-158.19.200113.9G75 N79G75-Q77 PolarHBondContact O-N 3.42Å; Q77-N79 PolarHBondContact O-N 2.82Å
78F74.1Confident86.3Confident36 Ų3662.4 Ų62.416%0.15831%0.314CS..  trans-67.8128.3-179.8-174.6-101.6000112.5I49 L74 G75 F80 I119I49-F78 HydrophobicContact CD1-CE2 3.67Å; I49-F78 HydrophobicContact CD1-CZ 4.19Å; L74-F78 HydrophobicContact CB-CB 4.01Å; L74-F78 HydrophobicContact CB-CG 4.29Å; L74-F78 HydrophobicContact CD1-CB 4.29Å; L74-F78 HydrophobicContact CD1-CD1 3.7Å; L74-F78 HydrophobicContact CD1-CD2 4.2Å; L74-F78 HydrophobicContact CD1-CE1 4.06Å; L74-F78 HydrophobicContact CD1-CG 3.77Å; L74-F78 HydrophobicContact CD1-CZ 4.47Å; L74-F78 HydrophobicContact CD2-CB 4.44Å; L74-F78 HydrophobicContact CD2-CD2 3.6Å; L74-F78 HydrophobicContact CD2-CE2 3.98Å; L74-F78 HydrophobicContact CD2-CG 3.95Å; L74-F78 HydrophobicContact CG-CB 4.48Å; L74-F78 HydrophobicContact CG-CD2 4.37Å; L74-F78 HydrophobicContact CG-CG 4.23Å; G75-F78 PolarHBondContact O-N 2.75Å; F78-F80 HydrophobicContact CD1-CD1 4.02Å; F78-F80 HydrophobicContact CD1-CD2 4.48Å; F78-F80 HydrophobicContact CD1-CE1 4.13Å; F78-F80 HydrophobicContact CD1-CG 4.2Å; F78-F80 HydrophobicContact CD1-CZ 4.41Å; F78-F80 HydrophobicContact CE1-CD1 4.24Å; F78-F80 PolarHBondContact O-N 2.83Å; F78-I119 HydrophobicContact CD1-CD1 4.47Å; F78-I119 HydrophobicContact CE1-CB 4.24Å; F78-I119 HydrophobicContact CE1-CD1 3.45Å; F78-I119 VanDerWaalsContact CE1-CD1 3.45Å; F78-I119 HydrophobicContact CE1-CG1 4.45Å; F78-I119 HydrophobicContact CE1-CG2 4.27Å; F78-I119 HydrophobicContact CE2-CD1 4.22Å; F78-I119 HydrophobicContact CZ-CD1 3.3Å
79N77.5Confident86.2Confident88 Ų8859.7 Ų59.747%0.47130%0.302SS..  trans-85.3102174.9-171.6-8.7000110.8Q77 L81 C82Q77-N79 PolarHBondContact O-N 2.82Å; N79-L81 PolarHBondContact O-N 2.92Å; N79-L81 VanDerWaalsContact OD1-CB 3.26Å; N79-L81 WeakPolarHBondContact OD1-CB 3.49Å; N79-L81 PolarHBondContact OD1-N 2.82Å; N79-C82 PolarHBondContact O-N 2.89Å; N79-C82 PolarHBondContact O-SG 3.13Å; N79-C82 VanDerWaalsContact O-SG 3.36Å
80F74.5Confident86.2Confident49 Ų4960.9 Ų60.922%0.21531%0.307CS..THydrogen-bonded Turntrans-62.9-9176.8-64.4-84000114.6Y20 F78 C82 I119 L132Y20-F80 AromaticContact CD2-CE1 3.99Å; Y20-F80 HydrophobicContact CD2-CE1 3.99Å; Y20-F80 HydrophobicContact CD2-CZ 4.05Å; Y20-F80 AromaticContact CE2-CE1 3.57Å; Y20-F80 HydrophobicContact CE2-CE1 3.57Å; Y20-F80 AromaticContact CE2-CZ 3.96Å; Y20-F80 HydrophobicContact CE2-CZ 3.96Å; F78-F80 HydrophobicContact CD1-CD1 4.02Å; F78-F80 HydrophobicContact CD1-CD2 4.48Å; F78-F80 HydrophobicContact CD1-CE1 4.13Å; F78-F80 HydrophobicContact CD1-CG 4.2Å; F78-F80 HydrophobicContact CD1-CZ 4.41Å; F78-F80 HydrophobicContact CE1-CD1 4.24Å; F78-F80 PolarHBondContact O-N 2.83Å; F80-C82 VanDerWaalsContact C-N 3.33Å; F80-I119 HydrophobicContact CD1-CG2 3.86Å; F80-I119 HydrophobicContact CE1-CG2 3.77Å; F80-L132 HydrophobicContact CE2-CD1 3.72Å; F80-L132 HydrophobicContact CZ-CD1 3.98Å
81L72.7Confident86.1Confident137 Ų13755 Ų5572%0.71729%0.285SS*.THydrogen-bonded Turntrans-84.7-4.4176.9-63164.7000113.2N79 R83N79-L81 PolarHBondContact O-N 2.92Å; N79-L81 VanDerWaalsContact OD1-CB 3.26Å; N79-L81 WeakPolarHBondContact OD1-CB 3.49Å; N79-L81 PolarHBondContact OD1-N 2.82Å; L81-R83 PolarHBondContact O-N 3.46Å
82C76.6Confident86.1Confident60 Ų6058.8 Ų58.841%0.40530%0.302SS..  trans-62.4123.4178.1-71.20000111.5N79 F80 N84N79-C82 PolarHBondContact O-N 2.89Å; N79-C82 PolarHBondContact O-SG 3.13Å; N79-C82 VanDerWaalsContact O-SG 3.36Å; F80-C82 VanDerWaalsContact C-N 3.33Å; C82-N84 PolarHBondContact O-N 3.45Å; C82-N84 VanDerWaalsContact O-N 3.1Å; C82-N84 PolarHBondContact O-ND2 2.98Å
83R88.4Confident86.1Confident228 Ų22856.9 Ų56.986%0.8629%0.293SS*.  trans-82.582.1175.3-68.3-175.8-178.9176.40.6110.2L81L81-R83 PolarHBondContact O-N 3.46Å
84N93.5Very high86.2Confident10 Ų1058.1 Ų58.15%0.05330%0.295CS..EExtended strand (participates in β ladder)trans-81.8145.4179.8-61.2-61000111.8F50 C82 V117F50-N84 HydrophobicContact CE2-CB 3.68Å; F50-N84 HydrophobicContact CZ-CB 4.08Å; C82-N84 PolarHBondContact O-N 3.45Å; C82-N84 VanDerWaalsContact O-N 3.1Å; C82-N84 PolarHBondContact O-ND2 2.98Å; N84-V117 HydrophobicContact CB-CB 3.95Å; N84-V117 HydrophobicContact CB-CG1 4.48Å; N84-V117 PolarHBondContact O-N 3.09Å; N84-V117 VanDerWaalsContact O-O 3.13Å
85H95.1Very high86.5Confident75 Ų7562 Ų6235%0.34732%0.316SS..EExtended strand (participates in β ladder)trans-146157.7172.757.7-87.6000110.8T45 T87 V115T45-H85 PolarHBondContact N-O 2.8Å; T45-H85 VanDerWaalsContact N-O 3.1Å; T45-H85 PolarHBondContact OG1-CE1 3.29Å; T45-H85 VanDerWaalsContact OG1-CE1 3.26Å; T45-H85 PolarHBondContact OG1-N 3.16Å; T45-H85 PolarHBondContact OG1-ND1 3.31Å; T45-H85 VanDerWaalsContact OG1-ND1 3.1Å; T45-H85 PolarHBondContact OG1-O 3.08Å; H85-T87 PolarHBondContact CD2-OG1 2.9Å; H85-T87 VanDerWaalsContact CD2-OG1 3.3Å; H85-V115 VanDerWaalsContact CA-O 3.28Å; H85-V115 WeakPolarHBondContact CA-O 3.46Å; H85-V115 WeakPolarHBondContact CB-O 3.28Å
86I96.4Very high87.3Confident1 Ų164 Ų641%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-110.1127.4168.2-176.6171.3000107.5F14 I42 R43 T44 V52 L67 L69 F88 S114 V115 V117F14-I86 HydrophobicContact CD2-CG2 3.86Å; F14-I86 HydrophobicContact CE2-CG2 3.54Å; I42-I86 HydrophobicContact CG2-CD1 3.63Å; I42-I86 HydrophobicContact CG2-CG1 3.67Å; R43-I86 CarbonylContact O-C 3.56Å; R43-I86 WeakPolarHBondContact O-CA 3.37Å; T44-I86 HydrophobicContact CG2-CG1 4.4Å; V52-I86 HydrophobicContact CG1-CD1 4.03Å; L67-I86 HydrophobicContact CD2-CD1 3.91Å; L69-I86 HydrophobicContact CD1-CD1 4.34Å; I86-F88 HydrophobicContact CD1-CE1 4.13Å; I86-F88 HydrophobicContact CD1-CE2 4.5Å; I86-F88 HydrophobicContact CD1-CZ 3.77Å; I86-F88 HydrophobicContact CG1-CE1 4.36Å; I86-F88 HydrophobicContact CG1-CE2 4.24Å; I86-F88 HydrophobicContact CG1-CZ 3.95Å; I86-F88 HydrophobicContact CG2-CE2 3.85Å; I86-F88 HydrophobicContact CG2-CZ 4.05Å; I86-S114 CarbonylContact O-C 3.59Å; I86-S114 WeakPolarHBondContact O-CA 3.39Å; I86-V115 HydrophobicContact CG2-CB 3.81Å; I86-V115 PolarHBondContact N-O 3.2Å; I86-V115 PolarHBondContact O-N 2.93Å; I86-V117 HydrophobicContact CB-CG2 4.32Å; I86-V117 HydrophobicContact CG2-CG2 4.17Å
87T96.9Very high88.4Confident15 Ų1562.9 Ų62.99%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-107.6126.4179.6-55.80000109.3R43 H85 L89 Q112 F113 S114R43-T87 PolarHBondContact N-O 3.41Å; R43-T87 PolarHBondContact O-N 2.89Å; H85-T87 PolarHBondContact CD2-OG1 2.9Å; H85-T87 VanDerWaalsContact CD2-OG1 3.3Å; T87-L89 HydrophobicContact CG2-CD1 4.07Å; T87-L89 HydrophobicContact CG2-CG 4.29Å; T87-Q112 HydrophobicContact CG2-CB 4.32Å; T87-F113 WeakPolarHBondContact CA-O 3.25Å; T87-S114 PolarHBondContact OG1-OG 2.95Å
88F96.7Very high89.6Confident0 Ų064 Ų640%032%0.318CS..EExtended strand (participates in β ladder)trans-97.7115.7171.7-58.2-81.8000107.4L7 L30 I42 L67 I86 Q112 F113 V115L7-F88 HydrophobicContact CD2-CB 4.31Å; L30-F88 HydrophobicContact CD1-CD1 3.97Å; L30-F88 HydrophobicContact CD1-CE1 3.73Å; L30-F88 HydrophobicContact CD2-CD1 4.22Å; L30-F88 HydrophobicContact CD2-CE1 3.98Å; L30-F88 HydrophobicContact CD2-CZ 4.23Å; L30-F88 HydrophobicContact CG-CE1 4.42Å; I42-F88 HydrophobicContact CD1-CD1 3.99Å; I42-F88 HydrophobicContact CD1-CE1 3.7Å; I42-F88 HydrophobicContact CG1-CD1 3.86Å; I42-F88 HydrophobicContact CG1-CE1 4.02Å; L67-F88 HydrophobicContact CD2-CE1 3.42Å; L67-F88 VanDerWaalsContact CD2-CE1 3.42Å; L67-F88 HydrophobicContact CD2-CZ 3.51Å; I86-F88 HydrophobicContact CD1-CE1 4.13Å; I86-F88 HydrophobicContact CD1-CE2 4.5Å; I86-F88 HydrophobicContact CD1-CZ 3.77Å; I86-F88 HydrophobicContact CG1-CE1 4.36Å; I86-F88 HydrophobicContact CG1-CE2 4.24Å; I86-F88 HydrophobicContact CG1-CZ 3.95Å; I86-F88 HydrophobicContact CG2-CE2 3.85Å; I86-F88 HydrophobicContact CG2-CZ 4.05Å; F88-Q112 WeakPolarHBondContact O-CA 3.31Å; F88-F113 HydrophobicContact CB-CD1 4.33Å; F88-F113 HydrophobicContact CB-CE1 3.97Å; F88-F113 HydrophobicContact CB-CE2 4.2Å; F88-F113 HydrophobicContact CB-CZ 3.87Å; F88-F113 AromaticContact CD2-CD2 3.75Å; F88-F113 HydrophobicContact CD2-CD2 3.75Å; F88-F113 HydrophobicContact CD2-CE1 4.42Å; F88-F113 AromaticContact CD2-CE2 3.16Å; F88-F113 HydrophobicContact CD2-CE2 3.16Å; F88-F113 AromaticContact CD2-CZ 3.55Å; F88-F113 HydrophobicContact CD2-CZ 3.55Å; F88-F113 AromaticContact CE2-CE2 3.74Å; F88-F113 HydrophobicContact CE2-CE2 3.74Å; F88-F113 HydrophobicContact CE2-CZ 4.28Å; F88-F113 HydrophobicContact CG-CE1 4.39Å; F88-F113 AromaticContact CG-CE2 3.89Å; F88-F113 HydrophobicContact CG-CE2 3.89Å; F88-F113 AromaticContact CG-CZ 3.78Å; F88-F113 HydrophobicContact CG-CZ 3.78Å; F88-F113 PolarHBondContact N-O 3.28Å; F88-F113 PolarHBondContact O-N 3.2Å; F88-F113 VanDerWaalsContact O-N 3.09Å; F88-V115 HydrophobicContact CD2-CG2 4.36Å; F88-V115 HydrophobicContact CE2-CB 4.29Å; F88-V115 HydrophobicContact CE2-CG2 3.78Å
89L96.3Very high90.6Very high15 Ų1566.5 Ų66.58%0.07933%0.333CS..EExtended strand (participates in β ladder)trans-102.4134167.4-53.491.5000107.7L40 K41 R43 T87 W104 D111 Q112L40-L89 CarbonylContact C-O 3.44Å; L40-L89 WeakPolarHBondContact CA-O 3.48Å; K41-L89 HydrophobicContact CB-CB 4.47Å; K41-L89 PolarHBondContact N-O 3.36Å; K41-L89 WeakPolarHBondContact O-CD1 3.21Å; K41-L89 PolarHBondContact O-N 2.9Å; R43-L89 HydrophobicContact CB-CD1 4.39Å; R43-L89 HydrophobicContact CG-CD1 3.71Å; T87-L89 HydrophobicContact CG2-CD1 4.07Å; T87-L89 HydrophobicContact CG2-CG 4.29Å; L89-W104 HydrophobicContact CB-CH2 3.41Å; L89-W104 VanDerWaalsContact CB-CH2 3.41Å; L89-W104 HydrophobicContact CB-CZ2 4.17Å; L89-W104 HydrophobicContact CB-CZ3 4.1Å; L89-W104 HydrophobicContact CD2-CH2 4.3Å; L89-W104 HydrophobicContact CD2-CZ2 4.35Å; L89-W104 HydrophobicContact CG-CH2 4.45Å; L89-D111 WeakPolarHBondContact CA-O 3.39Å; L89-Q112 HydrophobicContact CG-CB 4.42Å
90Y96Very high91.4Very high26 Ų2664.5 Ų64.510%0.10232%0.324CS..EExtended strand (participates in β ladder)trans-147.9156.5-176.561.3-81.4000111.1V5 L7 G39 T110 D111 F113V5-Y90 HydrophobicContact CB-CE2 4.34Å; V5-Y90 HydrophobicContact CG1-CD2 3.51Å; V5-Y90 HydrophobicContact CG1-CE2 3.64Å; L7-Y90 HydrophobicContact CB-CD1 4.29Å; L7-Y90 HydrophobicContact CB-CD2 4.02Å; L7-Y90 HydrophobicContact CB-CE1 4.27Å; L7-Y90 HydrophobicContact CB-CE2 4Å; L7-Y90 HydrophobicContact CB-CG 4.17Å; L7-Y90 HydrophobicContact CD2-CD1 3.58Å; L7-Y90 HydrophobicContact CD2-CD2 4.42Å; L7-Y90 HydrophobicContact CD2-CE1 4.15Å; L7-Y90 HydrophobicContact CD2-CG 3.74Å; G39-Y90 VanDerWaalsContact O-CA 3.26Å; G39-Y90 WeakPolarHBondContact O-CA 3.33Å; Y90-T110 CarbonylContact O-C 3.57Å; Y90-T110 WeakPolarHBondContact O-CA 3.42Å; Y90-D111 HydrophobicContact CD1-CB 4.46Å; Y90-D111 HydrophobicContact CD2-CB 4.24Å; Y90-D111 HydrophobicContact CE1-CB 3.85Å; Y90-D111 HydrophobicContact CE2-CB 3.6Å; Y90-D111 PolarHBondContact N-O 3.1Å; Y90-D111 PolarHBondContact O-N 2.92Å; Y90-D111 WeakPolarHBondContact OH-CB 3.09Å; Y90-F113 HydrophobicContact CD1-CD1 4.41Å; Y90-F113 HydrophobicContact CD1-CE1 4.46Å; Y90-F113 AromaticContact CE1-CD1 3.66Å; Y90-F113 HydrophobicContact CE1-CD1 3.66Å; Y90-F113 HydrophobicContact CE1-CE1 4.01Å
91G95.2Very high92.4Very high1 Ų169.1 Ų69.11%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-167.3167.8176.500000111.5I38 G39I38-G91 CarbonylContact C-O 3.51Å; I38-G91 VanDerWaalsContact CA-O 3.29Å; I38-G91 WeakPolarHBondContact CA-O 3.46Å; G39-G91 PolarHBondContact N-O 2.98Å; G39-G91 PolarHBondContact O-N 2.88Å; G39-G91 VanDerWaalsContact O-N 3.14Å
92Q94.7Very high93.5Very high79 Ų7967.9 Ų67.937%0.36934%0.335SS..EExtended strand (participates in β ladder)trans-70.6137.9-176.5-162-161.3-36.300111.4V5 K36V5-Q92 HydrophobicContact CG2-CB 4.22Å; K36-Q92 HydrophobicContact CB-CG 3.9Å; K36-Q92 VanDerWaalsContact CD-CD 3.41Å; K36-Q92 HydrophobicContact CD-CG 4.06Å; K36-Q92 HydrophobicContact CG-CG 4.48Å; K36-Q92 VanDerWaalsContact NZ-CD 3.28Å; K36-Q92 VanDerWaalsContact NZ-NE2 3.1Å
93V94.2Very high94.3Very high5 Ų565 Ų653%0.0332%0.315CS..  trans-123.3149.8178.3176.30000110R37 G39 L58 I97 A103 I107R37-V93 PolarHBondContact O-N 2.73Å; G39-V93 VanDerWaalsContact N-CG2 3.31Å; L58-V93 HydrophobicContact CD2-CB 4.47Å; L58-V93 HydrophobicContact CD2-CG1 4.17Å; L58-V93 HydrophobicContact CD2-CG2 4.27Å; V93-I97 HydrophobicContact CG1-CB 4.26Å; V93-I97 HydrophobicContact CG1-CD1 4.43Å; V93-A103 HydrophobicContact CB-CB 4.45Å; V93-A103 HydrophobicContact CG1-CB 3.56Å; V93-A103 HydrophobicContact CG2-CB 3.95Å; V93-I107 HydrophobicContact CG2-CD1 3.72Å; V93-I107 HydrophobicContact CG2-CG1 3.67Å
94D92.7Very high94.6Very high97 Ų9756.2 Ų56.252%0.51928%0.282SS..  trans-73.5138.8172.2-167.8-61.8000111.1S96 I97D94-S96 PolarHBondContact O-N 2.86Å; D94-S96 VanDerWaalsContact O-N 3.1Å; D94-S96 WeakPolarHBondContact OD1-CB 3.29Å; D94-S96 PolarHBondContact OD1-N 2.85Å; D94-S96 PolarHBondContact OD1-OG 2.85Å; D94-I97 PolarHBondContact O-N 2.6Å; D94-I97 VanDerWaalsContact O-N 3.15Å
95D91.3Very high94.7Very high103 Ų10364.4 Ų64.455%0.55132%0.317SS*.THydrogen-bonded Turntrans-63.3-18.5-178-63.6-37.2000113.5R37 I97R37-D95 WeakPolarHBondContact CB-OD1 3.49Å; R37-D95 IonicContact CZ-OD1 2.79Å; R37-D95 IonicContact NE-OD1 2.64Å; R37-D95 PolarHBondContact NE-OD1 2.76Å; R37-D95 PolarHBondContact NH1-O 2.82Å; R37-D95 IonicContact NH2-OD1 3.97Å; D95-I97 VanDerWaalsContact C-N 3.27Å; D95-I97 PolarHBondContact O-N 3.04Å
96S93Very high94.6Very high100 Ų10063.6 Ų63.670%0.69932%0.32SS*.THydrogen-bonded Turntrans-67.4-24.2177.2-50.70000113.2D94D94-S96 PolarHBondContact O-N 2.86Å; D94-S96 VanDerWaalsContact O-N 3.1Å; D94-S96 WeakPolarHBondContact OD1-CB 3.29Å; D94-S96 PolarHBondContact OD1-N 2.85Å; D94-S96 PolarHBondContact OD1-OG 2.85Å
97I92.6Very high94.4Very high39 Ų3964.6 Ų64.620%0.233%0.325CS..  trans-92.7116.3-173-53.8174.3000110.4L58 V93 D94 D95 Q102 A103 S106L58-I97 WeakPolarHBondContact CD1-O 3.29Å; V93-I97 HydrophobicContact CG1-CB 4.26Å; V93-I97 HydrophobicContact CG1-CD1 4.43Å; D94-I97 PolarHBondContact O-N 2.6Å; D94-I97 VanDerWaalsContact O-N 3.15Å; D95-I97 VanDerWaalsContact C-N 3.27Å; D95-I97 PolarHBondContact O-N 3.04Å; I97-Q102 HydrophobicContact CG2-CB 4.18Å; I97-A103 HydrophobicContact CB-CB 4.44Å; I97-A103 HydrophobicContact CG2-CB 3.79Å; I97-S106 VanDerWaalsContact CD1-OG 3.29Å; I97-S106 WeakPolarHBondContact CD1-OG 3.27Å
98K93.1Very high94.1Very high181 Ų18173 Ų7379%0.78736%0.361SS*.  trans-91.4-28.6177.5-61.9-175.9-179.9-177.70113.9P100K98-P100 WeakPolarHBondContact O-CD 3.48Å
99N95.5Very high93.9Very high88 Ų8879.7 Ų79.747%0.47140%0.396SS..  trans-85.7118.1-175-71.6-48.4000111.1K101 Q102 A103N99-K101 VanDerWaalsContact C-N 3.3Å; N99-K101 PolarHBondContact O-N 3.33Å; N99-Q102 HydrophobicContact CB-CB 4Å; N99-Q102 HydrophobicContact CB-CG 3.98Å; N99-Q102 PolarHBondContact ND2-OE1 2.97Å; N99-Q102 PolarHBondContact O-N 2.79Å; N99-A103 PolarHBondContact O-N 3.17Å
100P94.9Very high93.8Very high45 Ų4582.3 Ų82.329%0.29241%0.413SS..Hα-helixtrans-63.8-33.6-175.224-34.2000113.1L58 K98 W104L58-P100 HydrophobicContact CG-CB 4.2Å; K98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-W104 WeakPolarHBondContact O-CB 3.22Å; P100-W104 PolarHBondContact O-N 3.35Å
101K95.1Very high93.7Very high146 Ų14685.2 Ų85.264%0.63543%0.43SS*.Hα-helixtrans-67.7-33.6175.7-70.3-176.9-179.6176.20113Y56 N99 K105Y56-K101 HydrophobicContact CD2-CG 4.26Å; Y56-K101 HydrophobicContact CG-CG 4.39Å; N99-K101 VanDerWaalsContact C-N 3.3Å; N99-K101 PolarHBondContact O-N 3.33Å; K101-K105 WeakPolarHBondContact O-CG 3.44Å
102Q94.9Very high93.7Very high112 Ų11291.4 Ų91.452%0.52346%0.459SS..Hα-helixtrans-76.9-43.6177.1-70.8178.2-26.100110I97 N99 W104 K105 S106I97-Q102 HydrophobicContact CG2-CB 4.18Å; N99-Q102 HydrophobicContact CB-CB 4Å; N99-Q102 HydrophobicContact CB-CG 3.98Å; N99-Q102 PolarHBondContact ND2-OE1 2.97Å; N99-Q102 PolarHBondContact O-N 2.79Å; Q102-W104 VanDerWaalsContact C-N 3.3Å; Q102-W104 PolarHBondContact O-N 2.92Å; Q102-K105 WeakPolarHBondContact O-CB 3.26Å; Q102-K105 PolarHBondContact O-N 3.43Å; Q102-S106 PolarHBondContact O-N 3.36Å
103A94.6Very high93.7Very high0 Ų090.1 Ų90.10%045%0.452CS..Hα-helixtrans-54.8-45.1173.600000112L58 V93 I97 N99 K105 S106 I107L58-A103 HydrophobicContact CD2-CB 3.57Å; V93-A103 HydrophobicContact CB-CB 4.45Å; V93-A103 HydrophobicContact CG1-CB 3.56Å; V93-A103 HydrophobicContact CG2-CB 3.95Å; I97-A103 HydrophobicContact CB-CB 4.44Å; I97-A103 HydrophobicContact CG2-CB 3.79Å; N99-A103 PolarHBondContact O-N 3.17Å; A103-K105 PolarHBondContact O-N 3.05Å; A103-S106 WeakPolarHBondContact CA-OG 3.5Å; A103-S106 PolarHBondContact O-N 2.81Å; A103-S106 PolarHBondContact O-OG 2.88Å; A103-I107 WeakPolarHBondContact O-CG1 3.3Å; A103-I107 PolarHBondContact O-N 3.46Å
104W94.2Very high93.8Very high42 Ų4292.9 Ų92.916%0.15947%0.472CS..Hα-helixtrans-58.6-32.9176.8-177.3-97.9000113.3K41 Y56 L89 P100 Q102 I107 T110K41-W104 HydrophobicContact CB-CD2 3.67Å; K41-W104 HydrophobicContact CB-CE3 3.61Å; K41-W104 HydrophobicContact CB-CG 4.48Å; K41-W104 HydrophobicContact CB-CH2 3.84Å; K41-W104 HydrophobicContact CB-CZ2 3.85Å; K41-W104 HydrophobicContact CB-CZ3 3.7Å; K41-W104 HydrophobicContact CD-CD2 4.19Å; K41-W104 HydrophobicContact CD-CZ2 3.8Å; K41-W104 HydrophobicContact CG-CZ2 4.47Å; Y56-W104 HydrophobicContact CD1-CB 3.91Å; Y56-W104 HydrophobicContact CD1-CD2 4.45Å; Y56-W104 AromaticContact CD1-CG 3.9Å; Y56-W104 HydrophobicContact CD1-CG 3.9Å; Y56-W104 HydrophobicContact CE1-CB 4.07Å; Y56-W104 AromaticContact CE1-CD1 3.68Å; Y56-W104 HydrophobicContact CE1-CD2 4.24Å; Y56-W104 AromaticContact CE1-CG 3.65Å; Y56-W104 HydrophobicContact CE1-CG 3.65Å; L89-W104 HydrophobicContact CB-CH2 3.41Å; L89-W104 VanDerWaalsContact CB-CH2 3.41Å; L89-W104 HydrophobicContact CB-CZ2 4.17Å; L89-W104 HydrophobicContact CB-CZ3 4.1Å; L89-W104 HydrophobicContact CD2-CH2 4.3Å; L89-W104 HydrophobicContact CD2-CZ2 4.35Å; L89-W104 HydrophobicContact CG-CH2 4.45Å; P100-W104 WeakPolarHBondContact O-CB 3.22Å; P100-W104 PolarHBondContact O-N 3.35Å; Q102-W104 VanDerWaalsContact C-N 3.3Å; Q102-W104 PolarHBondContact O-N 2.92Å; W104-I107 HydrophobicContact CE3-CD1 3.73Å; W104-I107 HydrophobicContact CZ3-CD1 3.98Å; W104-T110 HydrophobicContact CH2-CG2 3.81Å; W104-T110 HydrophobicContact CZ2-CG2 4.39Å; W104-T110 HydrophobicContact CZ3-CG2 4.41Å
105K94.7Very high94Very high183 Ų18388.7 Ų88.780%0.79645%0.45SS*.Hα-helixtrans-76.7-21.5177.6-66.8177.9179.9-173.90113.1K101 Q102 A103K101-K105 WeakPolarHBondContact O-CG 3.44Å; Q102-K105 WeakPolarHBondContact O-CB 3.26Å; Q102-K105 PolarHBondContact O-N 3.43Å; A103-K105 PolarHBondContact O-N 3.05Å
106S93.3Very high94.2Very high58 Ų5891.8 Ų91.841%0.40645%0.454SS..Hα-helixtrans-89.4-14.9-179.759.20000113.9I97 Q102 A103 K108I97-S106 VanDerWaalsContact CD1-OG 3.29Å; I97-S106 WeakPolarHBondContact CD1-OG 3.27Å; Q102-S106 PolarHBondContact O-N 3.36Å; A103-S106 WeakPolarHBondContact CA-OG 3.5Å; A103-S106 PolarHBondContact O-N 2.81Å; A103-S106 PolarHBondContact O-OG 2.88Å; S106-K108 PolarHBondContact O-N 2.85Å
107I93.6Very high94.3Very high22 Ų2287.2 Ų87.211%0.11342%0.422CS..  trans-68.1126179-63.9166.1000109.3V93 A103 W104 D109 T110V93-I107 HydrophobicContact CG2-CD1 3.72Å; V93-I107 HydrophobicContact CG2-CG1 3.67Å; A103-I107 WeakPolarHBondContact O-CG1 3.3Å; A103-I107 PolarHBondContact O-N 3.46Å; W104-I107 HydrophobicContact CE3-CD1 3.73Å; W104-I107 HydrophobicContact CZ3-CD1 3.98Å; I107-D109 WeakPolarHBondContact CG2-O 3.17Å; I107-T110 HydrophobicContact CG2-CG2 3.59Å
108K90.5Very high94.3Very high192 Ų19287.3 Ų87.384%0.83542%0.424SS*.  trans-93.5-45.4176.3-63.7-178.1-179179.50111.8S106S106-K108 PolarHBondContact O-N 2.85Å
109D92.1Very high94.3Very high140 Ų14079.2 Ų79.275%0.74939%0.389SS*.SBendtrans-106.3119.2-178.2-55.2-53.9000109.4I107I107-D109 WeakPolarHBondContact CG2-O 3.17Å
110T94.1Very high93.9Very high70 Ų7077.1 Ų77.143%0.42938%0.377SS..  trans-119130.2179.757.10000110.6Y90 W104 I107Y90-T110 CarbonylContact O-C 3.57Å; Y90-T110 WeakPolarHBondContact O-CA 3.42Å; W104-T110 HydrophobicContact CH2-CG2 3.81Å; W104-T110 HydrophobicContact CZ2-CG2 4.39Å; W104-T110 HydrophobicContact CZ3-CG2 4.41Å; I107-T110 HydrophobicContact CG2-CG2 3.59Å
111D94.3Very high93.4Very high87 Ų8782.1 Ų82.147%0.46539%0.394SS..EExtended strand (participates in β ladder)trans-95.6161.8164-70.7-41.4000110L89 Y90L89-D111 WeakPolarHBondContact CA-O 3.39Å; Y90-D111 HydrophobicContact CD1-CB 4.46Å; Y90-D111 HydrophobicContact CD2-CB 4.24Å; Y90-D111 HydrophobicContact CE1-CB 3.85Å; Y90-D111 HydrophobicContact CE2-CB 3.6Å; Y90-D111 PolarHBondContact N-O 3.1Å; Y90-D111 PolarHBondContact O-N 2.92Å; Y90-D111 WeakPolarHBondContact OH-CB 3.09Å
112Q95Very high92.8Very high131 Ų13176.3 Ų76.361%0.61237%0.371SS*.EExtended strand (participates in β ladder)trans-146147175.563.3174.643.100112.4T87 F88 L89T87-Q112 HydrophobicContact CG2-CB 4.32Å; F88-Q112 WeakPolarHBondContact O-CA 3.31Å; L89-Q112 HydrophobicContact CG-CB 4.42Å
113F94.4Very high92.1Very high51 Ų5176.7 Ų76.722%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-138.4159.516169.8-96.1000110.1L7 C9 T87 F88 Y90 V115L7-F113 HydrophobicContact CB-CE1 4.16Å; L7-F113 HydrophobicContact CD2-CE1 3.58Å; L7-F113 HydrophobicContact CD2-CZ 4.1Å; L7-F113 HydrophobicContact CG-CE1 3.75Å; L7-F113 HydrophobicContact CG-CZ 4.21Å; C9-F113 HydrophobicContact CB-CE2 3.75Å; C9-F113 HydrophobicContact CB-CZ 3.74Å; T87-F113 WeakPolarHBondContact CA-O 3.25Å; F88-F113 HydrophobicContact CB-CD1 4.33Å; F88-F113 HydrophobicContact CB-CE1 3.97Å; F88-F113 HydrophobicContact CB-CE2 4.2Å; F88-F113 HydrophobicContact CB-CZ 3.87Å; F88-F113 AromaticContact CD2-CD2 3.75Å; F88-F113 HydrophobicContact CD2-CD2 3.75Å; F88-F113 HydrophobicContact CD2-CE1 4.42Å; F88-F113 AromaticContact CD2-CE2 3.16Å; F88-F113 HydrophobicContact CD2-CE2 3.16Å; F88-F113 AromaticContact CD2-CZ 3.55Å; F88-F113 HydrophobicContact CD2-CZ 3.55Å; F88-F113 AromaticContact CE2-CE2 3.74Å; F88-F113 HydrophobicContact CE2-CE2 3.74Å; F88-F113 HydrophobicContact CE2-CZ 4.28Å; F88-F113 HydrophobicContact CG-CE1 4.39Å; F88-F113 AromaticContact CG-CE2 3.89Å; F88-F113 HydrophobicContact CG-CE2 3.89Å; F88-F113 AromaticContact CG-CZ 3.78Å; F88-F113 HydrophobicContact CG-CZ 3.78Å; F88-F113 PolarHBondContact N-O 3.28Å; F88-F113 PolarHBondContact O-N 3.2Å; F88-F113 VanDerWaalsContact O-N 3.09Å; Y90-F113 HydrophobicContact CD1-CD1 4.41Å; Y90-F113 HydrophobicContact CD1-CE1 4.46Å; Y90-F113 AromaticContact CE1-CD1 3.66Å; Y90-F113 HydrophobicContact CE1-CD1 3.66Å; Y90-F113 HydrophobicContact CE1-CE1 4.01Å; F113-V115 HydrophobicContact CD2-CG2 4.08Å; F113-V115 HydrophobicContact CE2-CG2 3.86Å
114S96.1Very high91.1Very high63 Ų6386.4 Ų86.444%0.44142%0.415SS..EExtended strand (participates in β ladder)trans-126.8138-179.7-61.80000111.3I86 T87I86-S114 CarbonylContact O-C 3.59Å; I86-S114 WeakPolarHBondContact O-CA 3.39Å; T87-S114 PolarHBondContact OG1-OG 2.95Å
115V96.8Very high90.2Very high10 Ų1086.7 Ų86.76%0.06143%0.431CS..EExtended strand (participates in β ladder)trans-108.9135.2175.6-179.20000108.9F14 H85 I86 F88 F113F14-V115 HydrophobicContact CD2-CB 4.29Å; F14-V115 HydrophobicContact CD2-CG1 3.65Å; F14-V115 HydrophobicContact CE2-CB 3.97Å; F14-V115 HydrophobicContact CE2-CG1 3.59Å; H85-V115 VanDerWaalsContact CA-O 3.28Å; H85-V115 WeakPolarHBondContact CA-O 3.46Å; H85-V115 WeakPolarHBondContact CB-O 3.28Å; I86-V115 HydrophobicContact CG2-CB 3.81Å; I86-V115 PolarHBondContact N-O 3.2Å; I86-V115 PolarHBondContact O-N 2.93Å; F88-V115 HydrophobicContact CD2-CG2 4.36Å; F88-V115 HydrophobicContact CE2-CB 4.29Å; F88-V115 HydrophobicContact CE2-CG2 3.78Å; F113-V115 HydrophobicContact CD2-CG2 4.08Å; F113-V115 HydrophobicContact CE2-CG2 3.86Å
116R96Very high89.1Confident167 Ų16779.9 Ų79.963%0.6340%0.404SS*.EExtended strand (participates in β ladder)trans-70.4137.4-178.9-175.1176.8175.3-178-0.4110.8K13 F14K13-R116 WeakPolarHBondContact CA-O 3.24Å; F14-R116 PolarHBondContact N-O 2.97Å
117V95.8Very high88.2Confident5 Ų581.3 Ų81.33%0.0341%0.411CS..EExtended strand (participates in β ladder)trans-113123.4172-174.90000108.6F14 F16 F50 L69 N84 I86F14-V117 HydrophobicContact CB-CB 4.45Å; F14-V117 HydrophobicContact CB-CG1 4.2Å; F14-V117 HydrophobicContact CB-CG2 4.15Å; F14-V117 HydrophobicContact CD2-CG2 4.18Å; F14-V117 CarbonylContact O-C 3.54Å; F14-V117 WeakPolarHBondContact O-CA 3.16Å; F16-V117 HydrophobicContact CD2-CG1 4.05Å; F16-V117 HydrophobicContact CE2-CG1 3.8Å; F50-V117 HydrophobicContact CD1-CG1 4.41Å; F50-V117 HydrophobicContact CE1-CG1 3.55Å; F50-V117 HydrophobicContact CE2-CG1 4.31Å; F50-V117 HydrophobicContact CZ-CB 4.38Å; F50-V117 HydrophobicContact CZ-CG1 3.5Å; F50-V117 VanDerWaalsContact CZ-CG1 3.5Å; L69-V117 HydrophobicContact CD2-CG1 4.21Å; L69-V117 HydrophobicContact CD2-CG2 3.87Å; N84-V117 HydrophobicContact CB-CB 3.95Å; N84-V117 HydrophobicContact CB-CG1 4.48Å; N84-V117 PolarHBondContact O-N 3.09Å; N84-V117 VanDerWaalsContact O-O 3.13Å; I86-V117 HydrophobicContact CB-CG2 4.32Å; I86-V117 HydrophobicContact CG2-CG2 4.17Å
118T92.5Very high87.1Confident40 Ų4081 Ų8125%0.24541%0.411CS..EExtended strand (participates in β ladder)trans-119.7131.8-178.5-53.70000109.5F14 A15 F16F14-T118 PolarHBondContact O-N 3.35Å; A15-T118 CarbonylContact C-O 3.6Å; A15-T118 VanDerWaalsContact CA-O 3.31Å; A15-T118 WeakPolarHBondContact CA-O 3.42Å; F16-T118 PolarHBondContact N-O 2.9Å
119I91.2Very high86.2Confident11 Ų1172.4 Ų72.46%0.05638%0.375CS..EExtended strand (participates in β ladder)trans-105111.4168.8-62.9159.6000105.1F16 Y20 F50 L71 L74 F78 F80F16-I119 HydrophobicContact CB-CG1 4.33Å; F16-I119 HydrophobicContact CD2-CG1 4.47Å; Y20-I119 HydrophobicContact CD1-CG2 4.22Å; Y20-I119 HydrophobicContact CE1-CG2 3.66Å; Y20-I119 HydrophobicContact CE2-CG2 4.34Å; F50-I119 HydrophobicContact CE1-CD1 4.44Å; F50-I119 HydrophobicContact CZ-CD1 3.86Å; F50-I119 HydrophobicContact CZ-CG1 4.39Å; L71-I119 HydrophobicContact CD1-CD1 4.01Å; L71-I119 HydrophobicContact CD2-CD1 4.43Å; L71-I119 HydrophobicContact CD2-CG1 4.21Å; L74-I119 HydrophobicContact CD1-CD1 3.99Å; L74-I119 HydrophobicContact CD1-CG2 3.94Å; F78-I119 HydrophobicContact CD1-CD1 4.47Å; F78-I119 HydrophobicContact CE1-CB 4.24Å; F78-I119 HydrophobicContact CE1-CD1 3.45Å; F78-I119 VanDerWaalsContact CE1-CD1 3.45Å; F78-I119 HydrophobicContact CE1-CG1 4.45Å; F78-I119 HydrophobicContact CE1-CG2 4.27Å; F78-I119 HydrophobicContact CE2-CD1 4.22Å; F78-I119 HydrophobicContact CZ-CD1 3.3Å; F80-I119 HydrophobicContact CD1-CG2 3.86Å; F80-I119 HydrophobicContact CE1-CG2 3.77Å
120E88.9Confident85.2Confident45 Ų4571.2 Ų71.221%0.2137%0.365CS..PPolyproline II helixtrans-66.9153.7-174.3-65.8-174.6176.600110.3F16 R17 Y20F16-E120 PolarHBondContact O-N 2.92Å; R17-E120 WeakPolarHBondContact CD-OE2 3.36Å; R17-E120 HydrophobicContact CG-CB 4.5Å; R17-E120 HydrophobicContact CG-CG 4.45Å; R17-E120 VanDerWaalsContact CG-OE2 3.31Å; R17-E120 WeakPolarHBondContact CG-OE2 3.43Å; R17-E120 IonicContact CZ-OE2 3.57Å; R17-E120 IonicContact NE-OE1 3.55Å; R17-E120 IonicContact NE-OE2 2.76Å; R17-E120 PolarHBondContact NE-OE2 3Å; R17-E120 IonicContact NH2-OE1 3.51Å; R17-E120 IonicContact NH2-OE2 3.61Å; Y20-E120 PolarHBondContact OH-O 3.46Å
121K83.8Confident84.3Confident149 Ų14972.5 Ų72.565%0.64837%0.366SS*.PPolyproline II helixtrans-71.6139.3173.4-69.9-177.9-179.7179.50108.3
122P83.2Confident83.1Confident25 Ų2570.3 Ų70.316%0.16235%0.354CS..PPolyproline II helixtrans-61.7143.4178.529-35.2000109.8Y20 D126 A129 L132Y20-P122 HydrophobicContact CE2-CB 4.39Å; P122-D126 HydrophobicContact CB-CB 4.25Å; P122-A129 HydrophobicContact CB-CB 3.95Å; P122-A129 HydrophobicContact CG-CB 3.91Å; P122-L132 HydrophobicContact CG-CD1 4.02Å
123H79.1Confident81.9Confident120 Ų12070.9 Ų70.956%0.55635%0.351SS*.PPolyproline II helixtrans-72.8156.9-176.2-72.2-71.4000111.4G125 D126 A129H123-G125 PolarHBondContact O-N 2.89Å; H123-D126 PolarHBondContact N-OD2 3.09Å; H123-D126 PolarHBondContact O-N 3Å; H123-D126 VanDerWaalsContact O-N 3.09Å; H123-A129 WeakPolarHBondContact O-CB 3.48Å
124K73.9Confident80.8Confident203 Ų20371.3 Ų71.388%0.88336%0.364SS*.THydrogen-bonded Turntrans-66.495.6175.8-171.7-178.7-179.9-174.30108.9
125G74.2Confident79.4Confident49 Ų4970.9 Ų70.951%0.50536%0.359SS..THydrogen-bonded Turntrans143-25.6-176.600000112.7H123H123-G125 PolarHBondContact O-N 2.89Å
126D73.3Confident77.5Confident40 Ų4072.9 Ų72.921%0.21438%0.381CS..  trans-63.7139.6-179.8-75.3-38.1000111.7S18 P122 H123 V128 A129 Q130S18-D126 VanDerWaalsContact CB-OD2 3.28Å; S18-D126 WeakPolarHBondContact CB-OD2 3.44Å; S18-D126 PolarHBondContact OG-OD2 2.68Å; P122-D126 HydrophobicContact CB-CB 4.25Å; H123-D126 PolarHBondContact N-OD2 3.09Å; H123-D126 PolarHBondContact O-N 3Å; H123-D126 VanDerWaalsContact O-N 3.09Å; D126-V128 PolarHBondContact O-N 2.53Å; D126-A129 HydrophobicContact CB-CB 4.22Å; D126-A129 WeakPolarHBondContact O-CA 3.31Å; D126-A129 WeakPolarHBondContact O-CB 3.44Å; D126-A129 PolarHBondContact O-N 2.76Å; D126-Q130 PolarHBondContact O-N 3.35Å; D126-Q130 VanDerWaalsContact O-N 3.14Å
127P73.7Confident75.4Confident88 Ų8869.1 Ų69.157%0.57139%0.385SS*.Hα-helixtrans-57.4-36.8177.922.5-32.5000111.3A129 Q130 E131P127-A129 VanDerWaalsContact C-N 3.34Å; P127-A129 PolarHBondContact O-N 2.93Å; P127-Q130 WeakPolarHBondContact O-CB 3.22Å; P127-Q130 PolarHBondContact O-N 3.39Å; P127-Q130 VanDerWaalsContact O-N 3.12Å; P127-E131 PolarHBondContact O-N 3.14Å
128V70.2Confident73.3Confident16 Ų1677.8 Ų77.810%0.09742%0.423CS..Hα-helixtrans-64.2-36.6175.8-176.50000111.8P19 Y20 D126 Q130 E131 L132P19-V128 HydrophobicContact CB-CG2 4.09Å; Y20-V128 HydrophobicContact CD2-CG1 4.33Å; D126-V128 PolarHBondContact O-N 2.53Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 2.96Å; V128-E131 PolarHBondContact O-N 3.21Å; V128-L132 HydrophobicContact CG1-CD1 4.01Å; V128-L132 HydrophobicContact CG1-CG 4.3Å; V128-L132 WeakPolarHBondContact O-CB 3.46Å; V128-L132 WeakPolarHBondContact O-CG 3.39Å; V128-L132 PolarHBondContact O-N 3.12Å
129A71.2Confident71.2Confident10 Ų1082.6 Ų82.68%0.08344%0.44CS..Hα-helixtrans-69.9-28.8175.300000112.5P122 H123 D126 P127 R133P122-A129 HydrophobicContact CB-CB 3.95Å; P122-A129 HydrophobicContact CG-CB 3.91Å; H123-A129 WeakPolarHBondContact O-CB 3.48Å; D126-A129 HydrophobicContact CB-CB 4.22Å; D126-A129 WeakPolarHBondContact O-CA 3.31Å; D126-A129 WeakPolarHBondContact O-CB 3.44Å; D126-A129 PolarHBondContact O-N 2.76Å; P127-A129 VanDerWaalsContact C-N 3.34Å; P127-A129 PolarHBondContact O-N 2.93Å; A129-R133 WeakPolarHBondContact O-CB 3.28Å; A129-R133 WeakPolarHBondContact O-CG 3.49Å; A129-R133 PolarHBondContact O-N 3.42Å; A129-R133 PolarHBondContact O-NE 3.09Å
130Q72.5Confident68.6Low115 Ų11590.5 Ų90.554%0.53748%0.477SS..Hα-helixtrans-72.9-43.2173.8-61.7-176.718.400110.5D126 P127 V128 R133 A134D126-Q130 PolarHBondContact O-N 3.35Å; D126-Q130 VanDerWaalsContact O-N 3.14Å; P127-Q130 WeakPolarHBondContact O-CB 3.22Å; P127-Q130 PolarHBondContact O-N 3.39Å; P127-Q130 VanDerWaalsContact O-N 3.12Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 2.96Å; Q130-R133 WeakPolarHBondContact O-CB 3.46Å; Q130-R133 PolarHBondContact O-N 2.94Å; Q130-A134 WeakPolarHBondContact O-CB 3.46Å; Q130-A134 PolarHBondContact O-N 3.09Å
131E73.7Confident66.2Low97 Ų9798 Ų9845%0.45351%0.509SS..Hα-helixtrans-67-44.3179.3-165.6176.2-175.900112.3L76 P127 V128 R133 A134 V135L76-E131 HydrophobicContact CD1-CG 3.98Å; L76-E131 VanDerWaalsContact CD1-OE1 3.24Å; L76-E131 WeakPolarHBondContact CD1-OE1 3.37Å; L76-E131 HydrophobicContact CD2-CB 4.25Å; L76-E131 VanDerWaalsContact CD2-CD 3.42Å; L76-E131 HydrophobicContact CD2-CG 3.69Å; L76-E131 HydrophobicContact CG-CG 4.5Å; P127-E131 PolarHBondContact O-N 3.14Å; V128-E131 PolarHBondContact O-N 3.21Å; E131-R133 PolarHBondContact O-N 2.87Å; E131-A134 PolarHBondContact O-N 2.87Å; E131-A134 VanDerWaalsContact O-N 3.09Å; E131-V135 WeakPolarHBondContact O-CG2 3.49Å; E131-V135 PolarHBondContact O-N 3.3Å
132L69.7Low63.9Low42 Ų4296.3 Ų96.322%0.2251%0.507CS..Hα-helixtrans-59.1-36.7173.1-72.4170.8000112L76 F80 P122 V128 G136L76-L132 HydrophobicContact CB-CD2 4.37Å; L76-L132 HydrophobicContact CD2-CD2 4.38Å; L76-L132 WeakPolarHBondContact O-CD2 3.4Å; F80-L132 HydrophobicContact CE2-CD1 3.72Å; F80-L132 HydrophobicContact CZ-CD1 3.98Å; P122-L132 HydrophobicContact CG-CD1 4.02Å; V128-L132 HydrophobicContact CG1-CD1 4.01Å; V128-L132 HydrophobicContact CG1-CG 4.3Å; V128-L132 WeakPolarHBondContact O-CB 3.46Å; V128-L132 WeakPolarHBondContact O-CG 3.39Å; V128-L132 PolarHBondContact O-N 3.12Å; L132-G136 PolarHBondContact O-N 2.91Å
133R68.8Low62Low142 Ų14299.3 Ų99.354%0.53653%0.534SS..Hα-helixtrans-68.4-41.8173-83.1-177.6-79.2163.3-5.2112.1A129 Q130 E131 A137A129-R133 WeakPolarHBondContact O-CB 3.28Å; A129-R133 WeakPolarHBondContact O-CG 3.49Å; A129-R133 PolarHBondContact O-N 3.42Å; A129-R133 PolarHBondContact O-NE 3.09Å; Q130-R133 WeakPolarHBondContact O-CB 3.46Å; Q130-R133 PolarHBondContact O-N 2.94Å; E131-R133 PolarHBondContact O-N 2.87Å; R133-A137 VanDerWaalsContact O-CB 3.25Å; R133-A137 WeakPolarHBondContact O-CB 3.25Å; R133-A137 PolarHBondContact O-N 3.42Å
134A71.8Confident60.2Low61 Ų6197.2 Ų97.250%0.50453%0.532SS..Hα-helixtrans-66.1-38.1178.800000112.6Q130 E131Q130-A134 WeakPolarHBondContact O-CB 3.46Å; Q130-A134 PolarHBondContact O-N 3.09Å; E131-A134 PolarHBondContact O-N 2.87Å; E131-A134 VanDerWaalsContact O-N 3.09Å
135V66.7Low58.5Low54 Ų5492.4 Ų92.433%0.32752%0.524SS..Hα-helixtrans-75.3-42.4176.2176.40000111.5L76 E131 A137 K138L76-V135 HydrophobicContact CD1-CG2 3.89Å; E131-V135 WeakPolarHBondContact O-CG2 3.49Å; E131-V135 PolarHBondContact O-N 3.3Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 3.25Å; V135-K138 PolarHBondContact O-N 3.34Å; V135-K138 VanDerWaalsContact O-N 3.14Å
136G57.8Low57.2Low51 Ų5196.3 Ų96.353%0.52654%0.541SS..Hα-helixtrans-62.5-32.6175.800000113L132 K138L132-G136 PolarHBondContact O-N 2.91Å; G136-K138 VanDerWaalsContact C-N 3.25Å; G136-K138 PolarHBondContact O-N 3.48Å
137A51.2Low55.7Low88 Ų8899.7 Ų99.773%0.72756%0.563SS**THydrogen-bonded Turntrans-72.4-13.4176.300000114.2R133 V135R133-A137 VanDerWaalsContact O-CB 3.25Å; R133-A137 WeakPolarHBondContact O-CB 3.25Å; R133-A137 PolarHBondContact O-N 3.42Å; V135-A137 VanDerWaalsContact C-N 3.27Å; V135-A137 PolarHBondContact O-N 3.25Å
138K52.3Low54Low187 Ų187101.3 Ų101.381%0.81358%0.575SS**THydrogen-bonded Turntrans-99.6-4.3179.3-83.5-175.3175.2179.90114.7V135 G136V135-K138 PolarHBondContact O-N 3.34Å; V135-K138 VanDerWaalsContact O-N 3.14Å; G136-K138 VanDerWaalsContact C-N 3.25Å; G136-K138 PolarHBondContact O-N 3.48Å
139K48.8Very low53Low141 Ų141106.2 Ų106.261%0.61361%0.61SS**SBendtrans-112.4109.9174-73.5-172.3176.6-1760109.5F141K139-F141 PolarHBondContact O-N 3.14Å; K139-F141 VanDerWaalsContact O-N 3.09Å
140H36Very low52.1Low178 Ų178117.2 Ų117.282%0.82465%0.649SS**  trans-16.7103.8166.8-92.9-107.4000113.3D142H140-D142 PolarHBondContact O-N 2.98Å
141F38.3Very low51Low201 Ų201120 Ų12088%0.88266%0.66SS**  trans-7573154.9-168.6-94.8000106.5K139 A143K139-F141 PolarHBondContact O-N 3.14Å; K139-F141 VanDerWaalsContact O-N 3.09Å; F141-A143 HydrophobicContact CE1-CB 4.12Å
142D35.2Very low49.6Very low115 Ų115122.5 Ų122.562%0.61567%0.671SS**  trans-87.9111.1159.3-156.2-27.6000105.8H140 S144H140-D142 PolarHBondContact O-N 2.98Å; D142-S144 VanDerWaalsContact CG-OG 3.24Å; D142-S144 PolarHBondContact O-N 2.93Å; D142-S144 PolarHBondContact OD1-OG 2.85Å
143A43.7Very low48.1Very low88 Ų88125 Ų12573%0.72770%0.698SS**  trans-75.343.2-174.700000111.9F141F141-A143 HydrophobicContact CE1-CB 4.12Å
144S41.6Very low47.1Very low75 Ų75122.8 Ų122.852%0.52471%0.71SS.*  trans-126.585-177.145.50000110.3D142D142-S144 VanDerWaalsContact CG-OG 3.24Å; D142-S144 PolarHBondContact O-N 2.93Å; D142-S144 PolarHBondContact OD1-OG 2.85Å
145S38.8Very low45.9Very low102 Ų102128.5 Ų128.571%0.71373%0.726SS**  trans53.8124153.8-610000120.5
146P46.7Very low45.1Very low131 Ų131132.2 Ų132.285%0.85175%0.749SS**  trans-92.8100.9130.730.8-19.8000107.3C148P146-C148 PolarHBondContact O-N 2.56Å
147V41.3Very low44.5Very low112 Ų112133.5 Ų133.568%0.67976%0.755SS**  trans-45.8115.3157.2171.70000107.1S149V147-S149 PolarHBondContact O-N 3.09Å
148C37.3Very low44.5Very low122 Ų122135.5 Ų135.582%0.82476%0.758SS**  trans-54106.5158.5-108.10000106.2P146 R150P146-C148 PolarHBondContact O-N 2.56Å; C148-R150 PolarHBondContact O-N 2.87Å
149S49.1Very low44.1Very low119 Ų119133.5 Ų133.583%0.83276%0.762SS**  trans-64.777.1171.2-50.10000109.5V147V147-S149 PolarHBondContact O-N 3.09Å
150R53.5Low44.1Very low240 Ų240130.3 Ų130.391%0.90677%0.769SS**  trans-101.373.9158.3-162.5-179-152.2-177.65.5106.1C148C148-R150 PolarHBondContact O-N 2.87Å
151K48.6Very low44.8Very low175 Ų175131.4 Ų131.476%0.76177%0.774SS**  trans-92.499.4169.2-159.5162.7-174.4179.20105.7
152E43.8Very low45.3Very low149 Ų149125.5 Ų125.570%0.69677%0.77SS**  73.489.595.7-159-178.6147.500107.2
153A39.6Very low46.2Very low94 Ų94131.4 Ų131.478%0.77778%0.784SS**  cis50.9100.348.300000111.9
154A47.7Very low46.5Very low96 Ų96134.3 Ų134.379%0.79378%0.78SS**  trans99.3115.417100000117.2
155E46.7Very low46.9Very low180 Ų180137.3 Ų137.384%0.84179%0.786SS**  119.2137.2129.8-141.5176.6138.400117.9
156V49.1Very low47Very low133 Ų133139.7 Ų139.781%0.80679%0.785SS**  trans81.6124170-168.60000114.3
157A45Very low47Very low78 Ų78140.4 Ų140.465%0.64578%0.781SS**  cis-161.9161.4-300000104.6
158T51.3Low47.9Very low130 Ų130139.2 Ų139.280%0.79878%0.784SS**  -179.3133.764.335.10000108.3
159T43.8Very low48.6Very low145 Ų145139.9 Ų139.989%0.8979%0.786SS**  trans-9133.3147.7-41.30000117.9
160G48.6Very low48.6Very low74 Ų74137.9 Ų137.976%0.76378%0.784SS**  trans173.4103.2163.300000113.4
161E51.3Low48.3Very low201 Ų201135.4 Ų135.494%0.93978%0.78SS**  trans-58.2159.6174.6-69.6166.176.600114.5
162G47.9Very low48.3Very low77 Ų77134.8 Ų134.879%0.79478%0.784SS**  trans142.191.8146.800000118.5
163R54.1Low48.3Very low238 Ų238131.6 Ų131.690%0.89879%0.791SS**  trans20125.2140-91.1179.5165168.3-4.5121.8
164K51Low48.5Very low149 Ų149131.6 Ų131.665%0.64879%0.791SS**  71.7128.8111.3-147.2-175.5-169.4-101.80120.2
165E49Very low48.5Very low138 Ų138133.6 Ų133.665%0.64579%0.794SS**  trans59.5154.6153.7-100141.665.500116
166E42.5Very low48.7Very low152 Ų152130.7 Ų130.771%0.7179%0.793SS**  cis171.3154.6-9.7161.1175.710500103.8
167L45.3Very low48.6Very low146 Ų146127.5 Ų127.576%0.76478%0.781SS**  trans70.9114.7163.2-101.594.7000121.6
168A61.1Low48.8Very low88 Ų88133 Ų13373%0.72779%0.79SS**  72.3143.8129.700000122.2
169P51.3Low49.1Very low136 Ų136132.5 Ų132.588%0.88379%0.793SS**  trans-100148.9-171.238.4-31.7000114.3
170G49.7Very low49.4Very low76 Ų76131.5 Ų131.578%0.78479%0.789SS**  trans-150.397.5176.300000113.6
171K47.6Very low49.3Very low189 Ų189132.8 Ų132.882%0.82279%0.792SS**  trans12.9139.8141.7-126.6-175.6179.3-178.30121.3
172L47.6Very low49.2Very low162 Ų162127.6 Ų127.685%0.84878%0.784SS**  trans94.8132.8146.3-57.7171.5000119.4
173G43.1Very low49.2Very low82 Ų82129.1 Ų129.185%0.84579%0.789SS**  trans139.989.5152.300000114.9
174A45.3Very low48.7Very low93 Ų93122 Ų12277%0.76979%0.789SS**  trans-87.5146.3164.100000110
175T47.8Very low48.7Very low139 Ų139119.9 Ų119.985%0.85379%0.793SS**  trans176138.8137.137.10000112.3
176S51.2Low48.5Very low118 Ų118118.7 Ų118.783%0.82580%0.795SS**  trans72.2145.1139.6-1750000118.5
177A46Very low48.7Very low67 Ų67120.2 Ų120.255%0.55480%0.803SS**  cis179.8164.2-24.500000105.2
178F48.3Very low48.6Very low192 Ų192118 Ų11884%0.84281%0.805SS**  trans73116.6161.1-73.9-83.7000120.8
179S58.5Low47.9Very low121 Ų121118 Ų11885%0.84681%0.805SS**  -175.7130.6116.6-78.20000111.4
180P49.4Very low47.8Very low124 Ų124116.9 Ų116.981%0.80580%0.8SS**  trans-136140.4142.735.7-22.2000112.2
181A48.1Very low47.6Very low100 Ų100118.7 Ų118.783%0.82680%0.801SS**  trans-167.9144.716100000113.6
182A47.7Very low47.2Very low93 Ų93117 Ų11777%0.76980%0.8SS**  trans68.4110.2151.900000118.3
183A47.7Very low46.9Very low109 Ų109116.4 Ų116.490%0.90180%0.797SS**  69.711570.400000113.3
184G45.2Very low47.4Very low87 Ų87121.1 Ų121.190%0.89780%0.799SS**  trans176.2118.317300000111.4
185S50.1Low47.6Very low106 Ų106120.8 Ų120.874%0.74180%0.797SS**  trans-94.1172.8-161.351.80000115.1
186T44.6Very low47.4Very low113 Ų113122.7 Ų122.769%0.69380%0.796SS**  trans93.6133.3138.117.80000121.9
187Q46.8Very low47.2Very low184 Ų184124.1 Ų124.186%0.8680%0.795SS**  trans79.2137.9153.9-68.5179.933.700116.6
188A42.8Very low47.4Very low98 Ų98127.9 Ų127.981%0.8180%0.804SS**  cis-156.217011.300000110.2
189A47Very low47.1Very low89 Ų89123.4 Ų123.474%0.73680%0.803SS**  trans-61.8157.7-173.600000116
190S48.3Very low46.6Very low112 Ų112128.9 Ų128.978%0.78380%0.804SS**  165.9138.4102.7-73.90000112.9
191S46.1Very low46.4Very low115 Ų115128.6 Ų128.680%0.80481%0.806SS**  trans75.2140.6150.61370000117.5
192L38.9Very low46.3Very low153 Ų153131.5 Ų131.580%0.80181%0.807SS**  cis-173.6149-10.7-169.669.6000105
193L41.9Very low46.3Very low150 Ų150135.7 Ų135.779%0.78581%0.811SS**  trans-46.5149-177.8-64147.4000116.3
194M52.9Low46.3Very low180 Ų180137.8 Ų137.889%0.88781%0.807SS**  178120.9117.6-90.6-85.7169.800112.5
195A49.4Very low46.5Very low87 Ų87142.6 Ų142.672%0.71981%0.808SS**  trans50.5109.9147.800000119.8
196Q44Very low46.4Very low179 Ų179145.9 Ų145.984%0.83681%0.812SS**  65.5133.173.7-85.9-176.1-10.700116.3
197D46.7Very low46.4Very low148 Ų148148.1 Ų148.179%0.79182%0.819SS**  trans73.5123.1169.1-59.8-44.5000115.2
198I51.1Low46.4Very low145 Ų145149.7 Ų149.774%0.74482%0.823SS**  cis-154.512035.8-66.3172.4000108.4R200I198-R200 HydrophobicContact CG2-CB 4.24Å
199A42.8Very low46.4Very low99 Ų99151 Ų15182%0.81882%0.821SS**  trans-82.5111.4155.400000107.9
200R48.3Very low46.3Very low235 Ų235150.9 Ų150.989%0.88782%0.82SS**  trans178.1107.4159.7-105.9168.8-179.9179.80.6110.3I198I198-R200 HydrophobicContact CG2-CB 4.24Å
201S44.6Very low46.4Very low119 Ų119153.8 Ų153.883%0.83282%0.821SS**  trans16085.5137.7-169.60000108
202N45.8Very low46.5Very low160 Ų160156.9 Ų156.986%0.85683%0.828SS**  trans-139.466.4173-165.829.4000106
203E47.8Very low46.9Very low181 Ų181155 Ų15585%0.84682%0.822SS**  trans-179.679.6177.3-105.4168.2179.500107.9
204D47.2Very low47.4Very low154 Ų154156 Ų15682%0.82482%0.823SS**  trans177.588.9158.4-111.9-54.5000110.1
205M50.4Low47.3Very low187 Ų187155.7 Ų155.792%0.92182%0.819SS**  trans-175.754.3151.4-93.3-149.8-46.800108.9
206Q46.4Very low47.4Very low175 Ų175158 Ų15882%0.81883%0.825SS**SBendtrans-136139.8152.3-68.9-161.823.400105.5
207L45.5Very low47.7Very low161 Ų161153.5 Ų153.584%0.84382%0.818SS**  trans93.991.5-177.6-51.2163.8000115.6
208K47Very low48.1Very low217 Ų217154.6 Ų154.694%0.94382%0.818SS**  trans-157.580.7130.1-109.2157-177.7173.70109.8
209T43.5Very low48.3Very low124 Ų124153.2 Ų153.276%0.76182%0.821SS**  trans-79.5136.8158.8-57.60000108
210A43.6Very low48.4Very low87 Ų87152 Ų15272%0.71982%0.818SS**  trans65.5150.5153.400000120.9
211E50.2Low48.6Very low173 Ų173150.7 Ų150.781%0.80882%0.822SS**  trans74.6103.3167.6-78.1-171.697.400119.5
212L48.4Very low48.7Very low180 Ų180150 Ų15094%0.94282%0.824SS**  trans-141.6100.3135.1-120.1137.4000108.2
213V47.5Very low48.8Very low113 Ų113145.7 Ų145.769%0.68582%0.817SS**  trans-94.4132.3162.9163.30000106.9
214E52.8Low49.2Very low171 Ų171144.2 Ų144.280%0.79982%0.82SS**  trans173.3103.4142.5-101.5-176.4134.900106.3
215E50.9Low49.3Very low174 Ų174141.1 Ų141.181%0.81382%0.816SS**  61.911896.6-87.2-157.1110.500113.9
216V50.2Low49.7Very low137 Ų137142.5 Ų142.583%0.8382%0.817SS**  174126.3124.5156.50000110.1
217A51.6Low49.9Very low84 Ų84140.1 Ų140.169%0.69481%0.814SS**  trans68.9140.2150.500000119.7
218E55.4Low50.8Low171 Ų171139.1 Ų139.180%0.79981%0.814SS**  cis-178.9151.5-7.7-159.3169.7138.800106.2
219S53.8Low51.7Low115 Ų115133.9 Ų133.980%0.80480%0.803SS**  trans63.9120.2162.355.30000118.6
220G45.6Very low52.3Low73 Ų73133.8 Ų133.875%0.75380%0.804SS**  cis112.288.118.100000110.7
221Q53Low53.4Low208 Ų208137.4 Ų137.497%0.97281%0.811SS**  trans-170.3145.6139.9-114.5176.34.500113.1
222A46.4Very low53.1Low105 Ų105134.4 Ų134.487%0.86881%0.809SS**  trans-99162-160.200000114
223G48.2Very low53.9Low70 Ų70132.3 Ų132.372%0.72280%0.804SS**  trans130.2121.213100000118.3
224V56.8Low54.1Low150 Ų150132.9 Ų132.991%0.90981%0.807SS**  trans98.8107.2142.4-165.10000117.9
225A47.6Very low54.7Low88 Ų88132.5 Ų132.573%0.72781%0.809SS**  trans-75.1151.5169.600000113.1
226K60.2Low55.1Low216 Ų216131.2 Ų131.294%0.93981%0.808SS**  trans-153.7116.5149.5-116.4175-176.3178.70112.4
227T49.7Very low55.1Low126 Ų126129.8 Ų129.877%0.77380%0.804SS**  trans-67.1138.9170.9-51.10000113.1
228V65.4Low55.8Low139 Ų139130.3 Ų130.384%0.84281%0.809SS**  trans-152.5138.2148.4-174.40000110.2
229P65.4Low56.2Low107 Ų107131.7 Ų131.770%0.69581%0.812SS**  trans-102.6-173.6-166.744.6-37.9000114.1
230P56.6Low56.8Low122 Ų122132.3 Ų132.379%0.79281%0.81SS**  trans-94.2160.3-159.838-32.4000114.5
231L65.1Low57.4Low163 Ų163134.7 Ų134.785%0.85381%0.811SS**  trans-108.8124.7172.2-113.299.4000111.6
232S46Very low58.6Low111 Ų111133.9 Ų133.978%0.77682%0.823SS**  trans-98.4142.9159.7-56.90000109
233T64.6Low59.2Low135 Ų135135.3 Ų135.383%0.82882%0.821SS**  trans-145.7115.5157.714.20000111.5
234T50.7Low59.8Low125 Ų125138.7 Ų138.777%0.76783%0.826SS**  trans-86.4134.6168.3-61.50000109.9
235I65.9Low59.9Low164 Ų164138.1 Ų138.184%0.84182%0.822SS**  trans-158.9109.2147.2-44.5179.1000105.7
236D59.1Low60.7Low146 Ų146141.1 Ų141.178%0.78183%0.827SS**  82.9153.465.1-141.3-7.2000114.9
237S50.7Low60.7Low108 Ų108136.4 Ų136.476%0.75582%0.82SS**  trans-105155.5-138.8-44.80000114.5
238A65.6Low61.4Low95 Ų95137.1 Ų137.179%0.78582%0.823SS**  trans172.2110141.200000109
239K63.4Low61.1Low199 Ų199136.9 Ų136.987%0.86582%0.822SS**  54.2114.380.7-159.1178.8-175.1-174.30114
240V66.8Low60.8Low128 Ų128139.2 Ų139.278%0.77683%0.832SS**  172.1124118160.60000108.6
241T58.6Low61.2Low124 Ų124140.7 Ų140.776%0.76184%0.835SS**  trans-114.1161.8161.5-8.10000107.5
242P77.5Confident60.8Low190 Ų190138.6 Ų138.6100%1.23483%0.834SS**  -110095.331.1-34.5000113.9

Retrieved 242 of 242 residues in 117.8 ms (Link to these results)

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