A0A077ZH31_TRITR Loading...

Coenzyme Q binding protein COQ10 B

Required for the function of coenzyme Q in the respiratory chain. May serve as a chaperone or may be involved in the transport of Q6 from its site of synthesis to the catalytic sites of the respiratory complexes.

AlphaFold DB , UniProt , Accession A0A077ZH31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, 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
1M47.3Very low64.1Low139 Ų13993.5 Ų93.569%0.68546%0.455SS*.  01300-77.3171.7-88.500108.6D131M1-D131 WeakPolarHBondContact CE-OD1 3.4Å
2K45.6Very low65.5Low170 Ų17089.7 Ų89.774%0.73943%0.433SS*.EExtended strand (participates in β ladder)trans-93.8120.8163.7-78-174.3176.7-177.10107
3N50Low66.7Low115 Ų11594.5 Ų94.562%0.61545%0.446SS*.EExtended strand (participates in β ladder)trans-107108.4-175.2-165.5-0.2000108.5G5N3-G5 PolarHBondContact OD1-O 2.69Å
4L50.1Low67.5Low153 Ų15389.4 Ų89.480%0.80142%0.42SS*.EExtended strand (participates in β ladder)trans-130.370.4175.2-92143000106.6
5G62.1Low68.1Low52 Ų5289.2 Ų89.254%0.53643%0.433SS..THydrogen-bonded Turntrans80.2-150.9-177.100000114.1N3 R7N3-G5 PolarHBondContact OD1-O 2.69Å; G5-R7 PolarHBondContact O-N 2.66Å
6I66.3Low68.6Low50 Ų5085.8 Ų85.826%0.25642%0.415SS..THydrogen-bonded Turntrans-62.12.5178.843.8168.9000114.9E116 F117 P120 A123I6-E116 HydrophobicContact CD1-CG 4.08Å; I6-E116 HydrophobicContact CG1-CG 4.23Å; I6-E116 VanDerWaalsContact O-CA 3.31Å; I6-E116 WeakPolarHBondContact O-CA 3.34Å; I6-F117 WeakPolarHBondContact CD1-O 3.36Å; I6-F117 PolarHBondContact O-N 3.28Å; I6-F117 VanDerWaalsContact O-N 3.09Å; I6-P120 HydrophobicContact CG2-CG 4.28Å; I6-A123 HydrophobicContact CG2-CB 4.31Å
7R71.4Confident69.5Low110 Ų11086.6 Ų86.642%0.41542%0.416SS..EExtended strand (participates in β ladder)trans-102.8130.5178.9-78.1-174.9178.8169.44.6112.3G5 Y9 Y115 E116G5-R7 PolarHBondContact O-N 2.66Å; R7-Y9 HydrophobicContact CB-CE2 4.12Å; R7-Y115 WeakPolarHBondContact CA-O 3.41Å; R7-E116 HydrophobicContact CG-CB 3.89Å; R7-E116 HydrophobicContact CG-CG 3.69Å; R7-E116 IonicContact CZ-OE2 2.83Å; R7-E116 VanDerWaalsContact CZ-OE2 3.22Å; R7-E116 VanDerWaalsContact NE-CD 3.34Å; R7-E116 IonicContact NE-OE1 2.82Å; R7-E116 IonicContact NE-OE2 3.81Å; R7-E116 PolarHBondContact NE-OE2 2.84Å; R7-E116 IonicContact NH2-OE1 3.83Å; R7-E116 IonicContact NH2-OE2 2.73Å; R7-E116 PolarHBondContact NH2-OE2 3.49Å
8F75.9Confident70.5Confident19 Ų1982.3 Ų82.38%0.08340%0.395CS..EExtended strand (participates in β ladder)trans-133.2144.4179.6-61.7-101.2000110.7M114 Y115 F117 A123F8-M114 WeakPolarHBondContact O-CA 3.12Å; F8-Y115 HydrophobicContact CB-CD1 4.09Å; F8-Y115 HydrophobicContact CB-CD2 3.82Å; F8-Y115 HydrophobicContact CB-CE1 3.53Å; F8-Y115 HydrophobicContact CB-CE2 3.23Å; F8-Y115 HydrophobicContact CB-CG 4.24Å; F8-Y115 WeakPolarHBondContact CB-OH 3.42Å; F8-Y115 HydrophobicContact CD1-CE2 4.2Å; F8-Y115 AromaticContact CD2-CD2 3.73Å; F8-Y115 HydrophobicContact CD2-CD2 3.73Å; F8-Y115 AromaticContact CD2-CE2 3.15Å; F8-Y115 HydrophobicContact CD2-CE2 3.15Å; F8-Y115 AromaticContact CD2-CZ 3.89Å; F8-Y115 HydrophobicContact CE2-CE2 4.02Å; F8-Y115 HydrophobicContact CG-CD2 4.1Å; F8-Y115 HydrophobicContact CG-CE1 4.38Å; F8-Y115 AromaticContact CG-CE2 3.27Å; F8-Y115 HydrophobicContact CG-CE2 3.27Å; F8-Y115 AromaticContact CG-CZ 3.47Å; F8-Y115 VanDerWaalsContact CG-CZ 3.47Å; F8-Y115 WeakPolarHBondContact CG-OH 3.47Å; F8-Y115 PolarHBondContact N-O 3.27Å; F8-Y115 PolarHBondContact O-N 3.07Å; F8-F117 HydrophobicContact CD2-CD2 4.46Å; F8-F117 HydrophobicContact CE2-CD2 4.32Å; F8-A123 HydrophobicContact CE2-CB 4.05Å; F8-A123 HydrophobicContact CZ-CB 4.47Å
9Y76.1Confident71.4Confident91 Ų9180.5 Ų80.536%0.35739%0.39SS..EExtended strand (participates in β ladder)trans-131120179.1-55.8-99.1000108.1R7 M114R7-Y9 HydrophobicContact CB-CE2 4.12Å; Y9-M114 HydrophobicContact CD1-CB 4.01Å; Y9-M114 HydrophobicContact CD1-CE 3.71Å; Y9-M114 HydrophobicContact CD1-CG 3.78Å; Y9-M114 HydrophobicContact CD1-SD 4.5Å; Y9-M114 HydrophobicContact CE1-CB 4.27Å; Y9-M114 HydrophobicContact CE1-CE 3.35Å; Y9-M114 HydrophobicContact CE1-CG 4.28Å
10C80.1Confident72.4Confident5 Ų577.2 Ų77.23%0.03438%0.375CS..EExtended strand (participates in β ladder)trans-121127.3176.1-53.80000109.2Y12 Q112 V113C10-Y12 HydrophobicContact CB-CD2 4.38Å; C10-Y12 HydrophobicContact CB-CE2 3.38Å; C10-Q112 WeakPolarHBondContact O-CA 3.49Å; C10-V113 PolarHBondContact N-O 3.38Å; C10-V113 PolarHBondContact O-N 3.26Å
11Y80.2Confident73.3Confident124 Ų12477.4 Ų77.449%0.48638%0.375SS..EExtended strand (participates in β ladder)trans-120.5127.1178-84-91.2000108.6Y110 Q112Y11-Y110 AromaticContact CD1-CD2 3.95Å; Y11-Y110 HydrophobicContact CD1-CD2 3.95Å; Y11-Y110 HydrophobicContact CD1-CE2 4.15Å; Y11-Y110 HydrophobicContact CE1-CD2 4.14Å; Y11-Y110 AromaticContact CE1-CE2 3.86Å; Y11-Y110 HydrophobicContact CE1-CE2 3.86Å; Y11-Q112 HydrophobicContact CD1-CB 3.89Å; Y11-Q112 HydrophobicContact CD1-CG 3.86Å; Y11-Q112 HydrophobicContact CD2-CG 4.17Å; Y11-Q112 HydrophobicContact CE1-CB 3.93Å; Y11-Q112 HydrophobicContact CE1-CG 3.69Å; Y11-Q112 HydrophobicContact CE2-CG 4.01Å; Y11-Q112 HydrophobicContact CG-CB 4.45Å; Y11-Q112 HydrophobicContact CG-CG 4.12Å; Y11-Q112 VanDerWaalsContact CZ-OE1 3.23Å; Y11-Q112 PolarHBondContact OH-NE2 3.47Å; Y11-Q112 PolarHBondContact OH-OE1 3.4Å; Y11-Q112 VanDerWaalsContact OH-OE1 3.08Å
12Y80.9Confident75.5Confident48 Ų4874.1 Ų74.119%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-124.6113.4179.2-60.6-90.5000109C10 Y110 F111 T134C10-Y12 HydrophobicContact CB-CD2 4.38Å; C10-Y12 HydrophobicContact CB-CE2 3.38Å; Y12-Y110 CarbonylContact O-C 3.56Å; Y12-Y110 VanDerWaalsContact O-CA 3.22Å; Y12-Y110 WeakPolarHBondContact O-CA 3.47Å; Y12-Y110 WeakPolarHBondContact O-CB 3.34Å; Y12-F111 PolarHBondContact N-O 3Å; Y12-F111 PolarHBondContact O-N 2.92Å; Y12-T134 HydrophobicContact CD2-CG2 3.62Å; Y12-T134 HydrophobicContact CE1-CG2 4.44Å; Y12-T134 HydrophobicContact CE2-CG2 3.04Å; Y12-T134 VanDerWaalsContact OH-CB 3.28Å; Y12-T134 WeakPolarHBondContact OH-CB 3.29Å; Y12-T134 PolarHBondContact OH-OG1 3.25Å
13Y80.8Confident77.8Confident153 Ų15366.4 Ų66.460%0.632%0.323SS*.EExtended strand (participates in β ladder)trans-80.3143.1165.2-60.9-77.4000109N108 Y110Y13-N108 HydrophobicContact CD1-CB 3.66Å; Y13-N108 HydrophobicContact CE1-CB 4.41Å; Y13-N108 HydrophobicContact CG-CB 4.39Å; Y13-Y110 HydrophobicContact CE1-CD1 4.49Å; Y13-Y110 HydrophobicContact CE1-CG 4.5Å
14Y78.7Confident79.9Confident22 Ų2261 Ų619%0.08629%0.294CS..  trans-133.8151.7173.563.7-84.7000110.8W98 F100 D109 I138Y14-W98 HydrophobicContact CE1-CE3 4.19Å; Y14-W98 AromaticContact CE1-CZ3 3.9Å; Y14-W98 HydrophobicContact CE1-CZ3 3.9Å; Y14-F100 VanDerWaalsContact OH-CD1 3.22Å; Y14-F100 WeakPolarHBondContact OH-CD1 3.2Å; Y14-F100 WeakPolarHBondContact OH-CE1 3.44Å; Y14-D109 HydrophobicContact CD1-CB 4.4Å; Y14-D109 HydrophobicContact CE1-CB 3.73Å; Y14-D109 HydrophobicContact CE2-CB 3.86Å; Y14-D109 VanDerWaalsContact CZ-CB 3.42Å; Y14-D109 PolarHBondContact N-O 2.95Å; Y14-D109 WeakPolarHBondContact OH-CB 3.25Å; Y14-I138 HydrophobicContact CD1-CD1 3.73Å; Y14-I138 HydrophobicContact CE1-CD1 4.46Å; Y14-I138 HydrophobicContact CG-CD1 4.16Å; Y14-I138 HydrophobicContact CG-CG2 4.42Å
15S75.4Confident82.1Confident87 Ų8755.7 Ų55.761%0.60827%0.27SS*.  trans-71.2133.1-179.6174.80000110.4K17S15-K17 PolarHBondContact O-N 3.49Å; S15-K17 VanDerWaalsContact O-N 3.11Å
16K77.3Confident83.8Confident35 Ų3553.6 Ų53.615%0.15225%0.246CC..  trans-66.6105.9172.5-79.8-178.1175.7176.30110.4S101 F104 D109K16-S101 VanDerWaalsContact CE-O 3.27Å; K16-S101 WeakPolarHBondContact CE-O 3.5Å; K16-S101 PolarHBondContact NZ-O 2.94Å; K16-F104 HydrophobicContact CB-CE1 4.34Å; K16-F104 HydrophobicContact CB-CZ 4.31Å; K16-F104 HydrophobicContact CD-CD1 4.48Å; K16-F104 HydrophobicContact CD-CE1 4.05Å; K16-F104 HydrophobicContact CD-CE2 4.3Å; K16-F104 HydrophobicContact CD-CZ 3.95Å; K16-D109 WeakPolarHBondContact CE-OD1 3.5Å; K16-D109 VanDerWaalsContact CE-OD2 3.26Å; K16-D109 WeakPolarHBondContact CE-OD2 3.47Å; K16-D109 VanDerWaalsContact CG-OD2 3.3Å; K16-D109 WeakPolarHBondContact CG-OD2 3.27Å; K16-D109 IonicContact NZ-OD1 2.83Å
17K83.1Confident85.2Confident99 Ų9951.2 Ų51.243%0.4323%0.234SC..  trans-113.1-12.4177-72.4-174.1180-176.10113.5S15 T142 P152S15-K17 PolarHBondContact O-N 3.49Å; S15-K17 VanDerWaalsContact O-N 3.11Å; K17-T142 HydrophobicContact CD-CG2 4.29Å; K17-P152 HydrophobicContact CB-CB 4.01Å; K17-P152 HydrophobicContact CB-CG 4.24Å; K17-P152 HydrophobicContact CD-CG 4.2Å; K17-P152 HydrophobicContact CG-CB 4.48Å
18Y88Confident86.4Confident10 Ų1046.9 Ų46.94%0.03922%0.222CC..SBendtrans-141.3151.5-177.9-66.5-82.7000109.1M23 A145 K146 G150 P152Y18-M23 HydrophobicContact CD2-SD 4.01Å; Y18-M23 HydrophobicContact CG-SD 4.29Å; Y18-A145 HydrophobicContact CD1-CB 4.35Å; Y18-A145 HydrophobicContact CD2-CB 3.58Å; Y18-A145 HydrophobicContact CE1-CB 4.29Å; Y18-A145 HydrophobicContact CE2-CB 3.52Å; Y18-A145 HydrophobicContact CG-CB 4.02Å; Y18-K146 WeakPolarHBondContact OH-CA 3.43Å; Y18-K146 WeakPolarHBondContact OH-CB 3.19Å; Y18-K146 PolarHBondContact OH-N 2.86Å; Y18-G150 WeakPolarHBondContact CE1-O 3.48Å; Y18-G150 PolarHBondContact OH-O 3.04Å; Y18-P152 HydrophobicContact CE2-CG 4.21Å; Y18-P152 WeakPolarHBondContact OH-CD 3.45Å
19P88Confident87.3Confident47 Ų4749.1 Ų49.131%0.30524%0.235SC..  trans-49.6144.2169.6-28.533.7000112.5E21 K22 M23 V155P19-E21 PolarHBondContact O-N 3.21Å; P19-K22 HydrophobicContact CB-CG 4.42Å; P19-K22 HydrophobicContact CG-CD 4.37Å; P19-K22 WeakPolarHBondContact O-CB 3.48Å; P19-K22 PolarHBondContact O-N 3.41Å; P19-M23 PolarHBondContact O-N 2.79Å; P19-V155 HydrophobicContact CG-CG2 4.26Å
20I90.4Very high88.3Confident15 Ų1545.5 Ų45.58%0.07722%0.222CC..Hα-helixtrans-59.1-34.7-175.163.2174.1000111.9K22 M23 F24 P78 Y79 F100 R102I20-K22 VanDerWaalsContact C-N 3.28Å; I20-K22 PolarHBondContact O-N 3.26Å; I20-M23 PolarHBondContact O-N 2.9Å; I20-F24 WeakPolarHBondContact O-CB 3.29Å; I20-F24 PolarHBondContact O-N 2.91Å; I20-P78 HydrophobicContact CD1-CG 3.86Å; I20-P78 HydrophobicContact CG1-CB 4.47Å; I20-P78 HydrophobicContact CG1-CG 4.26Å; I20-Y79 HydrophobicContact CD1-CD1 4.49Å; I20-Y79 HydrophobicContact CD1-CE1 4.31Å; I20-F100 HydrophobicContact CB-CB 3.98Å; I20-F100 HydrophobicContact CG2-CB 4.19Å; I20-R102 HydrophobicContact CD1-CG 3.56Å
21E92.5Very high89Confident81 Ų8148.8 Ų48.838%0.37924%0.239SC..Hα-helixtrans-63.4-36179.4-65.373.5-161.400111.5P19 C25 P78P19-E21 PolarHBondContact O-N 3.21Å; E21-C25 WeakPolarHBondContact O-CB 3.37Å; E21-C25 PolarHBondContact O-N 2.87Å; E21-C25 PolarHBondContact O-SG 3.11Å; E21-P78 HydrophobicContact CG-CB 4.05Å; E21-P78 HydrophobicContact CG-CG 4.34Å
22K93.2Very high89.8Confident71 Ų7148.2 Ų48.231%0.30924%0.236SC..Hα-helixtrans-69.8-47.2178.5-70.6-169.7-180-175.30111P19 I20 C25 I26 Y149P19-K22 HydrophobicContact CB-CG 4.42Å; P19-K22 HydrophobicContact CG-CD 4.37Å; P19-K22 WeakPolarHBondContact O-CB 3.48Å; P19-K22 PolarHBondContact O-N 3.41Å; I20-K22 VanDerWaalsContact C-N 3.28Å; I20-K22 PolarHBondContact O-N 3.26Å; K22-C25 PolarHBondContact O-N 3.02Å; K22-I26 WeakPolarHBondContact O-CG1 3.39Å; K22-I26 PolarHBondContact O-N 2.84Å; K22-Y149 HydrophobicContact CB-CD2 3.9Å; K22-Y149 HydrophobicContact CB-CE2 3.54Å; K22-Y149 HydrophobicContact CD-CD1 3.9Å; K22-Y149 HydrophobicContact CD-CD2 3.71Å; K22-Y149 HydrophobicContact CD-CE1 4.26Å; K22-Y149 HydrophobicContact CD-CE2 4.06Å; K22-Y149 HydrophobicContact CD-CG 3.61Å; K22-Y149 HydrophobicContact CG-CD1 4.43Å; K22-Y149 HydrophobicContact CG-CD2 4.13Å; K22-Y149 HydrophobicContact CG-CE1 4.28Å; K22-Y149 HydrophobicContact CG-CE2 3.96Å; K22-Y149 HydrophobicContact CG-CG 4.36Å
23M93.1Very high90.6Very high7 Ų746.6 Ų46.63%0.03423%0.23CC..Hα-helixtrans-67.4-39.1178.2-64.4-54.3-59.900111.7Y18 P19 I20 C25 I26 A27 F100 F141 A145Y18-M23 HydrophobicContact CD2-SD 4.01Å; Y18-M23 HydrophobicContact CG-SD 4.29Å; P19-M23 PolarHBondContact O-N 2.79Å; I20-M23 PolarHBondContact O-N 2.9Å; M23-C25 VanDerWaalsContact C-N 3.34Å; M23-C25 PolarHBondContact O-N 2.92Å; M23-I26 PolarHBondContact O-N 2.58Å; M23-I26 HydrophobicContact SD-CD1 4.29Å; M23-A27 PolarHBondContact O-N 3.39Å; M23-F100 HydrophobicContact CB-CD1 3.98Å; M23-F100 HydrophobicContact CB-CE1 3.57Å; M23-F100 HydrophobicContact CB-CZ 4.48Å; M23-F141 HydrophobicContact CE-CB 4.22Å; M23-A145 HydrophobicContact SD-CB 3.69Å
24F94.8Very high91.3Very high1 Ų145 Ų450%0.00423%0.226CC..Hα-helixtrans-57.1-47.4171.9177.2-85.3000111.4I20 I26 A27 A28 L75 R77 P78 L80 V81 F100I20-F24 WeakPolarHBondContact O-CB 3.29Å; I20-F24 PolarHBondContact O-N 2.91Å; F24-I26 VanDerWaalsContact C-N 3.28Å; F24-I26 PolarHBondContact O-N 3.11Å; F24-A27 PolarHBondContact O-N 3.47Å; F24-A28 HydrophobicContact CD1-CB 4.33Å; F24-A28 HydrophobicContact CE1-CB 3.89Å; F24-A28 HydrophobicContact CZ-CB 4.25Å; F24-A28 VanDerWaalsContact O-CB 3.29Å; F24-A28 WeakPolarHBondContact O-CB 3.46Å; F24-A28 PolarHBondContact O-N 3.25Å; F24-L75 HydrophobicContact CZ-CB 4.28Å; F24-R77 HydrophobicContact CD1-CG 4.06Å; F24-R77 HydrophobicContact CE1-CB 3.8Å; F24-R77 HydrophobicContact CE1-CG 3.68Å; F24-R77 VanDerWaalsContact CE1-CZ 3.43Å; F24-R77 HydrophobicContact CE2-CB 4.29Å; F24-R77 VanDerWaalsContact CZ-CA 3.48Å; F24-R77 HydrophobicContact CZ-CB 3.63Å; F24-R77 HydrophobicContact CZ-CG 4.03Å; F24-P78 HydrophobicContact CB-CB 4.24Å; F24-P78 HydrophobicContact CD2-CB 4.48Å; F24-P78 VanDerWaalsContact CD2-O 3.25Å; F24-P78 WeakPolarHBondContact CD2-O 3.36Å; F24-P78 HydrophobicContact CG-CB 4.19Å; F24-L80 WeakPolarHBondContact CE2-O 3.4Å; F24-V81 HydrophobicContact CD2-CG2 4.04Å; F24-V81 HydrophobicContact CE2-CG2 3.79Å; F24-V81 HydrophobicContact CZ-CG2 4.34Å; F24-F100 HydrophobicContact CB-CD2 4.1Å; F24-F100 HydrophobicContact CB-CE2 3.99Å; F24-F100 HydrophobicContact CB-CZ 4.39Å; F24-F100 AromaticContact CD2-CD2 3.91Å; F24-F100 HydrophobicContact CD2-CD2 3.91Å; F24-F100 AromaticContact CD2-CE2 3.82Å; F24-F100 HydrophobicContact CD2-CE2 3.82Å; F24-F100 HydrophobicContact CG-CE2 4.36Å
25C96.3Very high92.2Very high43 Ų4348.2 Ų48.229%0.29124%0.242SC..Hα-helixtrans-59.7-38.8179.1-77.50000112.3E21 K22 M23 D29 R77E21-C25 WeakPolarHBondContact O-CB 3.37Å; E21-C25 PolarHBondContact O-N 2.87Å; E21-C25 PolarHBondContact O-SG 3.11Å; K22-C25 PolarHBondContact O-N 3.02Å; M23-C25 VanDerWaalsContact C-N 3.34Å; M23-C25 PolarHBondContact O-N 2.92Å; C25-D29 WeakPolarHBondContact O-CB 3.4Å; C25-D29 PolarHBondContact O-N 3.33Å; C25-D29 VanDerWaalsContact O-N 3.09Å; C25-R77 PolarHBondContact SG-NH1 2.97Å
26I96.7Very high93.2Very high7 Ų745.8 Ų45.84%0.03622%0.221CC..Hα-helixtrans-66.3-44.8176.1-63.2167000111K22 M23 F24 D29 F36 F141 R144 A145 L148 Y149K22-I26 WeakPolarHBondContact O-CG1 3.39Å; K22-I26 PolarHBondContact O-N 2.84Å; M23-I26 PolarHBondContact O-N 2.58Å; M23-I26 HydrophobicContact SD-CD1 4.29Å; F24-I26 VanDerWaalsContact C-N 3.28Å; F24-I26 PolarHBondContact O-N 3.11Å; I26-D29 PolarHBondContact O-N 3.32Å; I26-F36 HydrophobicContact CG2-CE2 4.2Å; I26-F36 HydrophobicContact CG2-CZ 3.8Å; I26-F141 HydrophobicContact CB-CD1 4.5Å; I26-F141 HydrophobicContact CG2-CD1 3.64Å; I26-F141 HydrophobicContact CG2-CE1 3.97Å; I26-F141 HydrophobicContact CG2-CG 4.44Å; I26-R144 HydrophobicContact CD1-CG 4.43Å; I26-R144 HydrophobicContact CG1-CG 4.48Å; I26-R144 HydrophobicContact CG2-CB 4.27Å; I26-R144 HydrophobicContact CG2-CG 3.88Å; I26-A145 VanDerWaalsContact CD1-CA 3.44Å; I26-A145 HydrophobicContact CD1-CB 3.5Å; I26-A145 VanDerWaalsContact CD1-CB 3.5Å; I26-L148 HydrophobicContact CG1-CD1 4.13Å; I26-Y149 HydrophobicContact CD1-CD2 4.42Å; I26-Y149 HydrophobicContact CD1-CE2 3.81Å; I26-Y149 HydrophobicContact CG1-CE2 4.16Å
27A95.5Very high93.9Very high0 Ų044.8 Ų44.80%022%0.217CC..Hα-helixtrans-69.3-30.6178.500000114M23 F24 Y33 V81 W98 F100 F141M23-A27 PolarHBondContact O-N 3.39Å; F24-A27 PolarHBondContact O-N 3.47Å; A27-Y33 WeakPolarHBondContact CA-OH 3.48Å; A27-Y33 PolarHBondContact O-OH 3.35Å; A27-V81 HydrophobicContact CB-CB 4.38Å; A27-V81 HydrophobicContact CB-CG2 3.96Å; A27-W98 HydrophobicContact CB-CB 4.26Å; A27-W98 HydrophobicContact CB-CD2 4Å; A27-W98 HydrophobicContact CB-CG 3.83Å; A27-F100 HydrophobicContact CB-CE2 4.42Å; A27-F100 HydrophobicContact CB-CZ 3.82Å; A27-F141 HydrophobicContact CB-CE1 4.08Å
28A96.8Very high94.2Very high20 Ų2042 Ų4217%0.16521%0.209CC..Hα-helixtrans-78.3-22.7176.200000112.6F24 V30 L75 V81F24-A28 HydrophobicContact CD1-CB 4.33Å; F24-A28 HydrophobicContact CE1-CB 3.89Å; F24-A28 HydrophobicContact CZ-CB 4.25Å; F24-A28 VanDerWaalsContact O-CB 3.29Å; F24-A28 WeakPolarHBondContact O-CB 3.46Å; F24-A28 PolarHBondContact O-N 3.25Å; A28-V30 WeakPolarHBondContact O-CG2 3.43Å; A28-V30 PolarHBondContact O-N 2.94Å; A28-L75 HydrophobicContact CB-CD1 4.3Å; A28-L75 HydrophobicContact CB-CD2 4.05Å; A28-V81 HydrophobicContact CB-CG2 4.23Å
29D96.4Very high94.1Very high65 Ų6544.6 Ų44.635%0.34822%0.219SC..  trans-83.660.3179.4-167.711.7000112.4C25 I26 N31 R32C25-D29 WeakPolarHBondContact O-CB 3.4Å; C25-D29 PolarHBondContact O-N 3.33Å; C25-D29 VanDerWaalsContact O-N 3.09Å; I26-D29 PolarHBondContact O-N 3.32Å; D29-N31 PolarHBondContact O-N 2.78Å; D29-N31 VanDerWaalsContact O-N 3.14Å; D29-R32 PolarHBondContact O-N 2.97Å; D29-R32 WeakPolarHBondContact OD2-CD 3.47Å; D29-R32 VanDerWaalsContact OD2-CG 3.3Å; D29-R32 WeakPolarHBondContact OD2-CG 3.3Å; D29-R32 IonicContact OD2-NE 3.27Å; D29-R32 PolarHBondContact OD2-NE 3.48Å
30V95.7Very high94.4Very high15 Ų1542.9 Ų42.99%0.09121%0.208CC..G310 helixtrans-58.8-26.6-176.9-112.70000113A28 R32 Y33 S43 V56A28-V30 WeakPolarHBondContact O-CG2 3.43Å; A28-V30 PolarHBondContact O-N 2.94Å; V30-R32 PolarHBondContact O-N 3.29Å; V30-Y33 HydrophobicContact CG1-CD1 4.42Å; V30-Y33 HydrophobicContact CG1-CD2 4.02Å; V30-Y33 HydrophobicContact CG1-CE1 4.12Å; V30-Y33 HydrophobicContact CG1-CE2 3.68Å; V30-Y33 HydrophobicContact CG1-CG 4.38Å; V30-Y33 PolarHBondContact O-N 3.19Å; V30-S43 VanDerWaalsContact O-CB 3.27Å; V30-S43 WeakPolarHBondContact O-CB 3.41Å; V30-V56 HydrophobicContact CB-CG1 3.95Å; V30-V56 HydrophobicContact CB-CG2 4.4Å; V30-V56 HydrophobicContact CG1-CG1 4.19Å; V30-V56 HydrophobicContact CG2-CG1 4.44Å; V30-V56 HydrophobicContact CG2-CG2 3.98Å
31N95.6Very high94.6Very high74 Ų7447 Ų4740%0.39623%0.229SC..G310 helixtrans-60.4-26.6176.7-96.3-22.1000113.2D29 S43 K44 V45D29-N31 PolarHBondContact O-N 2.78Å; D29-N31 VanDerWaalsContact O-N 3.14Å; N31-S43 PolarHBondContact O-OG 3.25Å; N31-K44 WeakPolarHBondContact OD1-CA 3.18Å; N31-V45 WeakPolarHBondContact OD1-CG2 3.29Å; N31-V45 PolarHBondContact OD1-N 2.95Å
32R96.9Very high94.8Very high113 Ų11343.9 Ų43.943%0.42622%0.219SC..G310 helixtrans-972.8-176.7-64.2-157.9-176.8-113.410.2114.2D29 V30 K34 E35 F36D29-R32 PolarHBondContact O-N 2.97Å; D29-R32 WeakPolarHBondContact OD2-CD 3.47Å; D29-R32 VanDerWaalsContact OD2-CG 3.3Å; D29-R32 WeakPolarHBondContact OD2-CG 3.3Å; D29-R32 IonicContact OD2-NE 3.27Å; D29-R32 PolarHBondContact OD2-NE 3.48Å; V30-R32 PolarHBondContact O-N 3.29Å; R32-K34 PolarHBondContact O-N 3.11Å; R32-E35 HydrophobicContact CB-CG 4.38Å; R32-E35 VanDerWaalsContact CD-OE1 3.29Å; R32-E35 WeakPolarHBondContact CD-OE1 3.36Å; R32-E35 WeakPolarHBondContact CG-OE1 3.46Å; R32-E35 IonicContact CZ-OE1 3.83Å; R32-E35 IonicContact NE-OE1 3.22Å; R32-E35 IonicContact NH1-OE1 3.46Å; R32-E35 PolarHBondContact NH1-OE1 2.81Å; R32-E35 IonicContact NH1-OE2 2.83Å; R32-E35 VanDerWaalsContact O-CB 3.26Å; R32-E35 WeakPolarHBondContact O-CB 3.34Å; R32-E35 WeakPolarHBondContact O-CG 3.4Å; R32-E35 PolarHBondContact O-N 3.38Å; R32-F36 VanDerWaalsContact O-CD1 3.24Å; R32-F36 WeakPolarHBondContact O-CD1 3.49Å; R32-F36 WeakPolarHBondContact O-CE1 3.26Å
33Y96.6Very high95Very high13 Ų1341 Ų415%0.05121%0.207CC..G310 helixtrans-57.4-37.8-178-81.920.5000112.2A27 V30 E35 F36 V37 S43 L58 F141A27-Y33 WeakPolarHBondContact CA-OH 3.48Å; A27-Y33 PolarHBondContact O-OH 3.35Å; V30-Y33 HydrophobicContact CG1-CD1 4.42Å; V30-Y33 HydrophobicContact CG1-CD2 4.02Å; V30-Y33 HydrophobicContact CG1-CE1 4.12Å; V30-Y33 HydrophobicContact CG1-CE2 3.68Å; V30-Y33 HydrophobicContact CG1-CG 4.38Å; V30-Y33 PolarHBondContact O-N 3.19Å; Y33-E35 PolarHBondContact O-N 3.26Å; Y33-F36 AromaticContact CD1-CE1 3.97Å; Y33-F36 HydrophobicContact CD1-CE1 3.97Å; Y33-F36 AromaticContact CD1-CZ 3.89Å; Y33-F36 HydrophobicContact CD1-CZ 3.89Å; Y33-F36 HydrophobicContact CE1-CZ 4.16Å; Y33-F36 PolarHBondContact O-N 3.12Å; Y33-F36 VanDerWaalsContact O-N 3.12Å; Y33-V37 HydrophobicContact CD1-CG2 4.2Å; Y33-V37 HydrophobicContact CD2-CG2 4.05Å; Y33-V37 HydrophobicContact CG-CG2 3.78Å; Y33-V37 WeakPolarHBondContact O-CB 3.36Å; Y33-V37 PolarHBondContact O-N 2.85Å; Y33-S43 PolarHBondContact N-OG 2.93Å; Y33-L58 HydrophobicContact CD2-CD1 4.32Å; Y33-L58 HydrophobicContact CD2-CD2 4.45Å; Y33-F141 HydrophobicContact CE1-CE1 4.14Å; Y33-F141 AromaticContact CE1-CZ 3.76Å; Y33-F141 HydrophobicContact CE1-CZ 3.76Å; Y33-F141 HydrophobicContact CE2-CZ 4.07Å; Y33-F141 AromaticContact CZ-CZ 3.5Å; Y33-F141 WeakPolarHBondContact OH-CZ 3.48Å
34K96.5Very high95.2Very high121 Ų12145.5 Ų45.553%0.52623%0.227SC..G310 helixtrans-58.4-19.7175.472.3-179.2-178.5175.70115R32 C40 S43R32-K34 PolarHBondContact O-N 3.11Å; K34-C40 VanDerWaalsContact CA-O 3.31Å; K34-C40 WeakPolarHBondContact CA-O 3.47Å; K34-S43 WeakPolarHBondContact CB-OG 3.39Å; K34-S43 WeakPolarHBondContact CG-OG 3.31Å; K34-S43 PolarHBondContact N-OG 2.84Å
35E97.2Very high95.3Very high89 Ų8947.6 Ų47.642%0.41624%0.24SC..G310 helixtrans-80.5-21.2-179.1-57.9176.9-166.200112.9R32 Y33 R144R32-E35 HydrophobicContact CB-CG 4.38Å; R32-E35 VanDerWaalsContact CD-OE1 3.29Å; R32-E35 WeakPolarHBondContact CD-OE1 3.36Å; R32-E35 WeakPolarHBondContact CG-OE1 3.46Å; R32-E35 IonicContact CZ-OE1 3.83Å; R32-E35 IonicContact NE-OE1 3.22Å; R32-E35 IonicContact NH1-OE1 3.46Å; R32-E35 PolarHBondContact NH1-OE1 2.81Å; R32-E35 IonicContact NH1-OE2 2.83Å; R32-E35 VanDerWaalsContact O-CB 3.26Å; R32-E35 WeakPolarHBondContact O-CB 3.34Å; R32-E35 WeakPolarHBondContact O-CG 3.4Å; R32-E35 PolarHBondContact O-N 3.38Å; Y33-E35 PolarHBondContact O-N 3.26Å; E35-R144 IonicContact OE2-CZ 3.82Å; E35-R144 VanDerWaalsContact OE2-CZ 3.27Å; E35-R144 IonicContact OE2-NH1 2.87Å; E35-R144 PolarHBondContact OE2-NH1 3.18Å; E35-R144 IonicContact OE2-NH2 3.99Å; E35-R144 PolarHBondContact OE2-NH2 2.72Å
36F96Very high95.3Very high36 Ų3648.6 Ų48.616%0.15824%0.244CC..THydrogen-bonded Turntrans-149.8-24.2-168.874.5-85.7000115.5I26 R32 Y33 P38 A140 F141 R144I26-F36 HydrophobicContact CG2-CE2 4.2Å; I26-F36 HydrophobicContact CG2-CZ 3.8Å; R32-F36 VanDerWaalsContact O-CD1 3.24Å; R32-F36 WeakPolarHBondContact O-CD1 3.49Å; R32-F36 WeakPolarHBondContact O-CE1 3.26Å; Y33-F36 AromaticContact CD1-CE1 3.97Å; Y33-F36 HydrophobicContact CD1-CE1 3.97Å; Y33-F36 AromaticContact CD1-CZ 3.89Å; Y33-F36 HydrophobicContact CD1-CZ 3.89Å; Y33-F36 HydrophobicContact CE1-CZ 4.16Å; Y33-F36 PolarHBondContact O-N 3.12Å; Y33-F36 VanDerWaalsContact O-N 3.12Å; F36-P38 WeakPolarHBondContact O-CD 3.43Å; F36-A140 HydrophobicContact CD2-CB 4.22Å; F36-A140 WeakPolarHBondContact CD2-O 3.06Å; F36-A140 WeakPolarHBondContact O-CB 3.27Å; F36-F141 HydrophobicContact CE2-CD1 4.29Å; F36-F141 AromaticContact CE2-CD2 3.7Å; F36-F141 HydrophobicContact CE2-CD2 3.7Å; F36-F141 HydrophobicContact CE2-CE1 4.33Å; F36-F141 AromaticContact CE2-CE2 3.79Å; F36-F141 HydrophobicContact CE2-CE2 3.79Å; F36-F141 AromaticContact CE2-CG 3.99Å; F36-F141 HydrophobicContact CE2-CG 3.99Å; F36-F141 HydrophobicContact CE2-CZ 4.1Å; F36-F141 HydrophobicContact CZ-CD2 4.47Å; F36-F141 HydrophobicContact CZ-CE1 4.24Å; F36-F141 HydrophobicContact CZ-CE2 4.22Å; F36-F141 HydrophobicContact CZ-CZ 4.09Å; F36-R144 HydrophobicContact CD1-CB 4.49Å; F36-R144 HydrophobicContact CD1-CG 4Å; F36-R144 HydrophobicContact CD2-CB 3.62Å; F36-R144 HydrophobicContact CD2-CG 4.01Å; F36-R144 HydrophobicContact CE1-CG 4.07Å; F36-R144 HydrophobicContact CE2-CB 3.86Å; F36-R144 HydrophobicContact CE2-CG 4.07Å; F36-R144 HydrophobicContact CG-CB 3.97Å; F36-R144 HydrophobicContact CG-CG 3.97Å; F36-R144 HydrophobicContact CZ-CB 4.4Å; F36-R144 HydrophobicContact CZ-CG 4.11Å
37V93.1Very high95.3Very high14 Ų1454 Ų549%0.08526%0.264CS..SBendtrans-76.4121.2177-178.50000107.6Y33 C40 M137 F141Y33-V37 HydrophobicContact CD1-CG2 4.2Å; Y33-V37 HydrophobicContact CD2-CG2 4.05Å; Y33-V37 HydrophobicContact CG-CG2 3.78Å; Y33-V37 WeakPolarHBondContact O-CB 3.36Å; Y33-V37 PolarHBondContact O-N 2.85Å; V37-C40 HydrophobicContact CB-CB 3.85Å; V37-C40 HydrophobicContact CG1-CB 4.06Å; V37-C40 WeakPolarHBondContact O-CB 3.31Å; V37-C40 PolarHBondContact O-N 2.99Å; V37-M137 HydrophobicContact CG1-CE 4.22Å; V37-F141 HydrophobicContact CG2-CD2 4.49Å; V37-F141 HydrophobicContact CG2-CE2 3.67Å; V37-F141 HydrophobicContact CG2-CZ 4.22Å
38P88.5Confident95.4Very high40 Ų4061.7 Ų61.726%0.2630%0.297SS..THydrogen-bonded Turntrans-61.2149-179.1-8.319.2000109.8F36 C40 K136 A140F36-P38 WeakPolarHBondContact O-CD 3.43Å; P38-C40 PolarHBondContact O-N 2.92Å; P38-K136 HydrophobicContact CG-CB 3.9Å; P38-A140 HydrophobicContact CG-CB 4.27Å
39W87.4Confident95.4Very high65 Ų6563.8 Ų63.825%0.24631%0.308CS..THydrogen-bonded Turntrans62.5-13.2-176.6-40.9-78.5000116.3I41 V60 G61 F62 E132 V133 K136W39-I41 PolarHBondContact O-N 3.4Å; W39-V60 CarbonylContact O-C 3.38Å; W39-V60 VanDerWaalsContact O-CA 3.29Å; W39-V60 WeakPolarHBondContact O-CA 3.27Å; W39-G61 WeakPolarHBondContact CB-O 3.48Å; W39-G61 PolarHBondContact O-N 3.03Å; W39-F62 HydrophobicContact CB-CD1 4.25Å; W39-F62 HydrophobicContact CB-CE1 3.62Å; W39-F62 HydrophobicContact CB-CE2 4.23Å; W39-F62 HydrophobicContact CB-CZ 3.6Å; W39-F62 AromaticContact CD1-CD1 3.63Å; W39-F62 AromaticContact CD1-CE1 3.42Å; W39-F62 VanDerWaalsContact CD1-CE1 3.42Å; W39-F62 HydrophobicContact CD2-CD1 4.4Å; W39-F62 AromaticContact CD2-CE1 3.45Å; W39-F62 HydrophobicContact CD2-CE1 3.45Å; W39-F62 VanDerWaalsContact CD2-CE1 3.45Å; W39-F62 AromaticContact CD2-CZ 3.96Å; W39-F62 HydrophobicContact CD2-CZ 3.96Å; W39-F62 AromaticContact CE2-CE1 3.86Å; W39-F62 HydrophobicContact CE3-CE1 4.1Å; W39-F62 HydrophobicContact CE3-CZ 4.25Å; W39-F62 AromaticContact CG-CD1 3.83Å; W39-F62 HydrophobicContact CG-CD1 3.83Å; W39-F62 AromaticContact CG-CE1 3.18Å; W39-F62 HydrophobicContact CG-CE1 3.18Å; W39-F62 AromaticContact CG-CZ 3.67Å; W39-F62 HydrophobicContact CG-CZ 3.67Å; W39-F62 AromaticContact NE1-CE1 3.78Å; W39-E132 WeakPolarHBondContact CH2-O 3.41Å; W39-V133 HydrophobicContact CD2-CG2 4.11Å; W39-V133 HydrophobicContact CE3-CB 4.21Å; W39-V133 HydrophobicContact CE3-CG1 4Å; W39-V133 HydrophobicContact CE3-CG2 3.81Å; W39-V133 HydrophobicContact CH2-CB 4.26Å; W39-V133 HydrophobicContact CH2-CG2 4.07Å; W39-V133 HydrophobicContact CZ2-CG2 4.28Å; W39-V133 HydrophobicContact CZ3-CB 3.92Å; W39-V133 HydrophobicContact CZ3-CG1 3.95Å; W39-V133 HydrophobicContact CZ3-CG2 3.88Å; W39-V133 WeakPolarHBondContact CZ3-O 3.47Å; W39-K136 HydrophobicContact CH2-CB 3.61Å; W39-K136 HydrophobicContact CH2-CD 3.5Å; W39-K136 VanDerWaalsContact CH2-CD 3.5Å; W39-K136 HydrophobicContact CH2-CG 3.9Å; W39-K136 HydrophobicContact CZ2-CD 3.79Å; W39-K136 HydrophobicContact CZ3-CB 3.99Å
40C92.9Very high95.4Very high11 Ų1164.5 Ų64.57%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-72.897.8169-171.20000107.9K34 V37 P38 G42K34-C40 VanDerWaalsContact CA-O 3.31Å; K34-C40 WeakPolarHBondContact CA-O 3.47Å; V37-C40 HydrophobicContact CB-CB 3.85Å; V37-C40 HydrophobicContact CG1-CB 4.06Å; V37-C40 WeakPolarHBondContact O-CB 3.31Å; V37-C40 PolarHBondContact O-N 2.99Å; P38-C40 PolarHBondContact O-N 2.92Å; C40-G42 PolarHBondContact SG-O 2.98Å
41I94.3Very high95.3Very high102 Ų10272.9 Ų72.952%0.52335%0.35SS..EExtended strand (participates in β ladder)trans-92.7-13.6178.961.9170.9000112W39 T59 V66W39-I41 PolarHBondContact O-N 3.4Å; I41-T59 HydrophobicContact CD1-CG2 3.89Å; I41-T59 HydrophobicContact CG1-CG2 3.66Å; I41-T59 PolarHBondContact N-O 3.21Å; I41-V66 HydrophobicContact CD1-CG1 3.83Å; I41-V66 HydrophobicContact CD1-CG2 4.2Å
42G96.9Very high95.4Very high15 Ų1577.4 Ų77.416%0.15536%0.362CS..EExtended strand (participates in β ladder)trans-145.4139.5174.400000111.4C40 L58 T59C40-G42 PolarHBondContact SG-O 2.98Å; G42-L58 CarbonylContact O-C 3.53Å; G42-L58 WeakPolarHBondContact O-CA 3.25Å; G42-T59 PolarHBondContact N-O 3.48Å; G42-T59 VanDerWaalsContact N-O 3.14Å; G42-T59 PolarHBondContact O-N 3.14Å
43S97.6Very high95.4Very high9 Ų973 Ų736%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-149.5122.4174.157.80000109.6V30 N31 Y33 K34V30-S43 VanDerWaalsContact O-CB 3.27Å; V30-S43 WeakPolarHBondContact O-CB 3.41Å; N31-S43 PolarHBondContact O-OG 3.25Å; Y33-S43 PolarHBondContact N-OG 2.93Å; K34-S43 WeakPolarHBondContact CB-OG 3.39Å; K34-S43 WeakPolarHBondContact CG-OG 3.31Å; K34-S43 PolarHBondContact N-OG 2.84Å
44K97Very high95.5Very high103 Ų10373.3 Ų73.345%0.44835%0.352SS..EExtended strand (participates in β ladder)trans-149.6137.5178.163.2177-178.8174.40111.8N31 V46 V56 Q57N31-K44 WeakPolarHBondContact OD1-CA 3.18Å; K44-V46 HydrophobicContact CD-CG1 4.1Å; K44-V46 HydrophobicContact CG-CG1 3.99Å; K44-V46 PolarHBondContact O-N 2.8Å; K44-V56 CarbonylContact O-C 3.49Å; K44-V56 WeakPolarHBondContact O-CA 3.35Å; K44-V56 WeakPolarHBondContact O-CG1 3.4Å; K44-Q57 HydrophobicContact CG-CB 3.93Å; K44-Q57 PolarHBondContact N-O 2.8Å; K44-Q57 PolarHBondContact O-N 2.99Å
45V97.2Very high95.6Very high45 Ų4570.1 Ų70.127%0.27334%0.339SS..EExtended strand (participates in β ladder)trans-72.7115.5162.3177.20000107.3N31 K48 V56N31-V45 WeakPolarHBondContact OD1-CG2 3.29Å; N31-V45 PolarHBondContact OD1-N 2.95Å; V45-K48 HydrophobicContact CG1-CG 4.14Å; V45-V56 HydrophobicContact CG2-CG2 4.1Å
46V97Very high95.6Very high64 Ų6466 Ų6639%0.38832%0.32SS..EExtended strand (participates in β ladder)trans-87.2-32179.2-66.40000111.6K44 E55 Q57 V70K44-V46 HydrophobicContact CD-CG1 4.1Å; K44-V46 HydrophobicContact CG-CG1 3.99Å; K44-V46 PolarHBondContact O-N 2.8Å; V46-E55 HydrophobicContact CG2-CB 3.54Å; V46-E55 VanDerWaalsContact CG2-O 3.28Å; V46-E55 WeakPolarHBondContact CG2-O 3.29Å; V46-E55 PolarHBondContact N-O 2.88Å; V46-Q57 HydrophobicContact CG1-CB 3.73Å; V46-V70 HydrophobicContact CG2-CG1 4.17Å
47R97.2Very high95.6Very high119 Ų11966.4 Ų66.445%0.44932%0.322SS..EExtended strand (participates in β ladder)trans-152.8133179-169.4173.367.390.8-6110S54 E55R47-S54 CarbonylContact O-C 3.59Å; R47-S54 WeakPolarHBondContact O-CA 3.19Å; R47-E55 HydrophobicContact CB-CB 4.18Å; R47-E55 IonicContact CZ-OE1 2.69Å; R47-E55 IonicContact CZ-OE2 3.54Å; R47-E55 PolarHBondContact N-O 3.4Å; R47-E55 VanDerWaalsContact NE-CD 3.3Å; R47-E55 IonicContact NE-OE1 3.51Å; R47-E55 IonicContact NE-OE2 3.58Å; R47-E55 PolarHBondContact NE-OE2 2.92Å; R47-E55 IonicContact NH2-OE1 3.87Å; R47-E55 PolarHBondContact NH2-OE1 3.45Å; R47-E55 IonicContact NH2-OE2 3.51Å; R47-E55 PolarHBondContact O-N 3.4Å
48K96.9Very high95.7Very high162 Ų16266.7 Ų66.770%0.70432%0.323SS*.EExtended strand (participates in β ladder)trans-88125.6163.7-83.7-175.3170.9-176.70108.5V45V45-K48 HydrophobicContact CG1-CG 4.14Å
49V96.2Very high96Very high64 Ų6466 Ų6639%0.38832%0.318SS..  trans-85.9-51.1174.8-177.80000108.9C53V49-C53 HydrophobicContact CB-CB 3.91Å; V49-C53 WeakPolarHBondContact CB-O 3.28Å; V49-C53 HydrophobicContact CG1-CB 4.33Å; V49-C53 HydrophobicContact CG2-CB 4.47Å; V49-C53 PolarHBondContact N-O 3.43Å
50D96.2Very high96.1Very high81 Ų8163.8 Ų63.843%0.43331%0.312SS..SBendtrans-155.5-167.6173.862.549.5000109.6R52 C53D50-R52 VanDerWaalsContact C-N 3.26Å; D50-R52 PolarHBondContact O-N 2.75Å; D50-R52 VanDerWaalsContact OD1-CA 3.3Å; D50-R52 WeakPolarHBondContact OD1-CA 3.25Å; D50-R52 PolarHBondContact OD1-N 3.19Å; D50-C53 PolarHBondContact N-O 3.39Å; D50-C53 WeakPolarHBondContact OD1-CB 3.35Å; D50-C53 PolarHBondContact OD1-N 3.33Å
51E94.9Very high95.7Very high190 Ų19063.7 Ų63.789%0.88831%0.313SS*.SBendtrans-64.8-26.1179.4-63.9-170.7163.900114.5
52R96.8Very high94.9Very high169 Ų16960.9 Ų60.964%0.63830%0.297SS*.SBendtrans-108.6-9-176.3-62.8-175.4-65.6177.4-1.1112.8D50 T74 L75D50-R52 VanDerWaalsContact C-N 3.26Å; D50-R52 PolarHBondContact O-N 2.75Å; D50-R52 VanDerWaalsContact OD1-CA 3.3Å; D50-R52 WeakPolarHBondContact OD1-CA 3.25Å; D50-R52 PolarHBondContact OD1-N 3.19Å; R52-T74 CarbonylContact O-C 3.48Å; R52-T74 VanDerWaalsContact O-CA 3.29Å; R52-T74 WeakPolarHBondContact O-CA 3.34Å; R52-L75 PolarHBondContact O-N 3.3Å
53C97.9Very high93.5Very high21 Ų2165.6 Ų65.614%0.14232%0.324CS..EExtended strand (participates in β ladder)trans-134132.1-173.5-169.40000111.9V49 D50 V73V49-C53 HydrophobicContact CB-CB 3.91Å; V49-C53 WeakPolarHBondContact CB-O 3.28Å; V49-C53 HydrophobicContact CG1-CB 4.33Å; V49-C53 HydrophobicContact CG2-CB 4.47Å; V49-C53 PolarHBondContact N-O 3.43Å; D50-C53 PolarHBondContact N-O 3.39Å; D50-C53 WeakPolarHBondContact OD1-CB 3.35Å; D50-C53 PolarHBondContact OD1-N 3.33Å; C53-V73 VanDerWaalsContact CA-O 3.29Å; C53-V73 WeakPolarHBondContact CA-O 3.24Å
54S97.9Very high92.4Very high19 Ų1971.3 Ų71.313%0.13336%0.362CS..EExtended strand (participates in β ladder)trans-149.7150178.6-64.10000111.1R47 V73R47-S54 CarbonylContact O-C 3.59Å; R47-S54 WeakPolarHBondContact O-CA 3.19Å; S54-V73 PolarHBondContact N-O 2.8Å; S54-V73 PolarHBondContact O-N 3.09Å
55E97.7Very high91.3Very high55 Ų5568.9 Ų68.926%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-91.3130.8166.1-69.5172.8173.200109.3V46 R47 V70 S71V46-E55 HydrophobicContact CG2-CB 3.54Å; V46-E55 VanDerWaalsContact CG2-O 3.28Å; V46-E55 WeakPolarHBondContact CG2-O 3.29Å; V46-E55 PolarHBondContact N-O 2.88Å; R47-E55 HydrophobicContact CB-CB 4.18Å; R47-E55 IonicContact CZ-OE1 2.69Å; R47-E55 IonicContact CZ-OE2 3.54Å; R47-E55 PolarHBondContact N-O 3.4Å; R47-E55 VanDerWaalsContact NE-CD 3.3Å; R47-E55 IonicContact NE-OE1 3.51Å; R47-E55 IonicContact NE-OE2 3.58Å; R47-E55 PolarHBondContact NE-OE2 2.92Å; R47-E55 IonicContact NH2-OE1 3.87Å; R47-E55 PolarHBondContact NH2-OE1 3.45Å; R47-E55 IonicContact NH2-OE2 3.51Å; R47-E55 PolarHBondContact O-N 3.4Å; E55-V70 HydrophobicContact CB-CG1 4.07Å; E55-S71 WeakPolarHBondContact CA-O 3.34Å
56V97.8Very high90.9Very high2 Ų270.6 Ų70.61%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-130.7126.1-174.1179.70000109V30 K44 V45 L58 V70 S71 V73V30-V56 HydrophobicContact CB-CG1 3.95Å; V30-V56 HydrophobicContact CB-CG2 4.4Å; V30-V56 HydrophobicContact CG1-CG1 4.19Å; V30-V56 HydrophobicContact CG2-CG1 4.44Å; V30-V56 HydrophobicContact CG2-CG2 3.98Å; K44-V56 CarbonylContact O-C 3.49Å; K44-V56 WeakPolarHBondContact O-CA 3.35Å; K44-V56 WeakPolarHBondContact O-CG1 3.4Å; V45-V56 HydrophobicContact CG2-CG2 4.1Å; V56-L58 HydrophobicContact CG1-CD2 4.04Å; V56-L58 HydrophobicContact CG1-CG 4.39Å; V56-V70 CarbonylContact O-C 3.56Å; V56-V70 WeakPolarHBondContact O-CA 3.33Å; V56-S71 PolarHBondContact N-O 3.11Å; V56-S71 PolarHBondContact O-N 3.24Å; V56-V73 HydrophobicContact CB-CG2 3.95Å; V56-V73 HydrophobicContact CG2-CB 4.25Å; V56-V73 HydrophobicContact CG2-CG2 3.65Å
57Q96.8Very high90.3Very high44 Ų4468.2 Ų68.221%0.20635%0.35CS..EExtended strand (participates in β ladder)trans-92.9123.3169.5-171.7-177.9-40.700109.3K44 V46 Y69 V70K44-Q57 HydrophobicContact CG-CB 3.93Å; K44-Q57 PolarHBondContact N-O 2.8Å; K44-Q57 PolarHBondContact O-N 2.99Å; V46-Q57 HydrophobicContact CG1-CB 3.73Å; Q57-Y69 WeakPolarHBondContact CA-O 3.31Å; Q57-V70 HydrophobicContact CB-CG2 4.07Å; Q57-V70 HydrophobicContact CG-CG2 4.18Å
58L95.4Very high90.1Very high21 Ų2165 Ų6511%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-105.9143.7164.9-61.2-175.3000109.1Y33 G42 V56 S68 Y69Y33-L58 HydrophobicContact CD2-CD1 4.32Å; Y33-L58 HydrophobicContact CD2-CD2 4.45Å; G42-L58 CarbonylContact O-C 3.53Å; G42-L58 WeakPolarHBondContact O-CA 3.25Å; V56-L58 HydrophobicContact CG1-CD2 4.04Å; V56-L58 HydrophobicContact CG1-CG 4.39Å; L58-S68 VanDerWaalsContact O-CA 3.25Å; L58-S68 WeakPolarHBondContact O-CA 3.46Å; L58-Y69 HydrophobicContact CB-CE2 4.03Å; L58-Y69 HydrophobicContact CD1-CE2 4.27Å; L58-Y69 PolarHBondContact N-O 2.88Å; L58-Y69 PolarHBondContact O-N 2.91Å
59T94Very high89.9Confident24 Ų2458.8 Ų58.815%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-116.4121169.7-53.30000107.8I41 G42 V66 E67 S68I41-T59 HydrophobicContact CD1-CG2 3.89Å; I41-T59 HydrophobicContact CG1-CG2 3.66Å; I41-T59 PolarHBondContact N-O 3.21Å; G42-T59 PolarHBondContact N-O 3.48Å; G42-T59 VanDerWaalsContact N-O 3.14Å; G42-T59 PolarHBondContact O-N 3.14Å; T59-V66 HydrophobicContact CG2-CG1 3.8Å; T59-E67 CarbonylContact C-O 3.58Å; T59-E67 VanDerWaalsContact CA-O 3.27Å; T59-E67 WeakPolarHBondContact CA-O 3.2Å; T59-S68 WeakPolarHBondContact CB-OG 3.48Å; T59-S68 WeakPolarHBondContact CG2-OG 3.33Å; T59-S68 PolarHBondContact OG1-OG 3.24Å
60V88.6Confident89.9Confident19 Ų1958.9 Ų58.912%0.11532%0.319CS..EExtended strand (participates in β ladder)trans-108.8136.6178.6-63.60000110.1W39 F62 V66 E67 Y69W39-V60 CarbonylContact O-C 3.38Å; W39-V60 VanDerWaalsContact O-CA 3.29Å; W39-V60 WeakPolarHBondContact O-CA 3.27Å; V60-F62 HydrophobicContact CB-CD2 4.39Å; V60-F62 HydrophobicContact CB-CE2 3.93Å; V60-F62 HydrophobicContact CG2-CD2 4.42Å; V60-F62 HydrophobicContact CG2-CE2 4.18Å; V60-V66 WeakPolarHBondContact O-CA 3.42Å; V60-E67 HydrophobicContact CG2-CB 4.18Å; V60-E67 PolarHBondContact N-O 3.31Å; V60-E67 PolarHBondContact O-N 2.87Å; V60-Y69 HydrophobicContact CG1-CE1 3.89Å; V60-Y69 HydrophobicContact CG2-CE1 3.91Å
61G86.3Confident89.9Confident9 Ų955.2 Ų55.29%0.09330%0.3CS..EExtended strand (participates in β ladder)trans-121.6111.9178.800000111.4W39W39-G61 WeakPolarHBondContact CB-O 3.48Å; W39-G61 PolarHBondContact O-N 3.03Å
62F75.6Confident90Very high44 Ų4449 Ų4919%0.19328%0.275CS..EExtended strand (participates in β ladder)trans-123.488.4172.1-65.7-75.2000108.1W39 V60 P64 V65 F129 V133W39-F62 HydrophobicContact CB-CD1 4.25Å; W39-F62 HydrophobicContact CB-CE1 3.62Å; W39-F62 HydrophobicContact CB-CE2 4.23Å; W39-F62 HydrophobicContact CB-CZ 3.6Å; W39-F62 AromaticContact CD1-CD1 3.63Å; W39-F62 AromaticContact CD1-CE1 3.42Å; W39-F62 VanDerWaalsContact CD1-CE1 3.42Å; W39-F62 HydrophobicContact CD2-CD1 4.4Å; W39-F62 AromaticContact CD2-CE1 3.45Å; W39-F62 HydrophobicContact CD2-CE1 3.45Å; W39-F62 VanDerWaalsContact CD2-CE1 3.45Å; W39-F62 AromaticContact CD2-CZ 3.96Å; W39-F62 HydrophobicContact CD2-CZ 3.96Å; W39-F62 AromaticContact CE2-CE1 3.86Å; W39-F62 HydrophobicContact CE3-CE1 4.1Å; W39-F62 HydrophobicContact CE3-CZ 4.25Å; W39-F62 AromaticContact CG-CD1 3.83Å; W39-F62 HydrophobicContact CG-CD1 3.83Å; W39-F62 AromaticContact CG-CE1 3.18Å; W39-F62 HydrophobicContact CG-CE1 3.18Å; W39-F62 AromaticContact CG-CZ 3.67Å; W39-F62 HydrophobicContact CG-CZ 3.67Å; W39-F62 AromaticContact NE1-CE1 3.78Å; V60-F62 HydrophobicContact CB-CD2 4.39Å; V60-F62 HydrophobicContact CB-CE2 3.93Å; V60-F62 HydrophobicContact CG2-CD2 4.42Å; V60-F62 HydrophobicContact CG2-CE2 4.18Å; F62-P64 VanDerWaalsContact O-N 3.15Å; F62-V65 CarbonylContact C-O 3.52Å; F62-V65 PolarHBondContact N-O 3.12Å; F62-V65 WeakPolarHBondContact O-CA 3.28Å; F62-V65 PolarHBondContact O-N 2.87Å; F62-V65 VanDerWaalsContact O-O 3.12Å; F62-F129 HydrophobicContact CD1-CB 4.23Å; F62-V133 HydrophobicContact CD1-CG2 4.34Å; F62-V133 HydrophobicContact CE1-CG2 3.19Å; F62-V133 HydrophobicContact CZ-CG1 4.35Å; F62-V133 HydrophobicContact CZ-CG2 3.34Å
63P68.7Low90.1Very high113 Ų11341.3 Ų41.373%0.73425%0.246SC*.THydrogen-bonded Turntrans-45.3124.4-174.7-29.334.7000111.8
64P73.7Confident90.1Very high130 Ų13043.2 Ų43.284%0.84426%0.257SS*.THydrogen-bonded Turncis-90.91.111.136.3-36.5000116.2F62F62-P64 VanDerWaalsContact O-N 3.15Å
65V75.5Confident90.1Very high51 Ų5144 Ų4431%0.30926%0.26SS..EExtended strand (participates in β ladder)trans-90.1126.7-172.9-174.40000111.5F62F62-V65 CarbonylContact C-O 3.52Å; F62-V65 PolarHBondContact N-O 3.12Å; F62-V65 WeakPolarHBondContact O-CA 3.28Å; F62-V65 PolarHBondContact O-N 2.87Å; F62-V65 VanDerWaalsContact O-O 3.12Å
66V87Confident90.1Very high81 Ų8145.6 Ų45.649%0.49127%0.269SS..EExtended strand (participates in β ladder)trans-119.4127.9164.7174.70000108.4I41 T59 V60I41-V66 HydrophobicContact CD1-CG1 3.83Å; I41-V66 HydrophobicContact CD1-CG2 4.2Å; T59-V66 HydrophobicContact CG2-CG1 3.8Å; V60-V66 WeakPolarHBondContact O-CA 3.42Å
67E86.1Confident90Very high14 Ų1452.6 Ų52.67%0.06530%0.296CS..EExtended strand (participates in β ladder)trans-134.3142-179.8-167.774.4153.800112T59 V60 R89 L90T59-E67 CarbonylContact C-O 3.58Å; T59-E67 VanDerWaalsContact CA-O 3.27Å; T59-E67 WeakPolarHBondContact CA-O 3.2Å; V60-E67 HydrophobicContact CG2-CB 4.18Å; V60-E67 PolarHBondContact N-O 3.31Å; V60-E67 PolarHBondContact O-N 2.87Å; E67-R89 VanDerWaalsContact CD-NE 3.28Å; E67-R89 WeakPolarHBondContact OE1-CB 3.18Å; E67-R89 WeakPolarHBondContact OE1-CG 3.48Å; E67-R89 IonicContact OE1-CZ 3.05Å; E67-R89 IonicContact OE1-NE 2.91Å; E67-R89 PolarHBondContact OE1-NE 3.25Å; E67-R89 IonicContact OE1-NH2 2.58Å; E67-R89 IonicContact OE2-CZ 2.83Å; E67-R89 IonicContact OE2-NE 3.7Å; E67-R89 PolarHBondContact OE2-NE 3.14Å; E67-R89 IonicContact OE2-NH2 3.71Å; E67-R89 PolarHBondContact OE2-NH2 3.42Å; E67-L90 HydrophobicContact CB-CD1 3.57Å; E67-L90 HydrophobicContact CB-CG 4.3Å; E67-L90 HydrophobicContact CG-CD1 3.51Å; E67-L90 HydrophobicContact CG-CG 3.76Å
68S92.4Very high89.8Confident52 Ų5251.1 Ų51.136%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-113.3141.5166-61.50000111.4L58 T59L58-S68 VanDerWaalsContact O-CA 3.25Å; L58-S68 WeakPolarHBondContact O-CA 3.46Å; T59-S68 WeakPolarHBondContact CB-OG 3.48Å; T59-S68 WeakPolarHBondContact CG2-OG 3.33Å; T59-S68 PolarHBondContact OG1-OG 3.24Å
69Y92.7Very high89.7Confident31 Ų3154.2 Ų54.212%0.12230%0.301CS..EExtended strand (participates in β ladder)trans-139.9145.1172.652.8-90.5000110.5Q57 L58 V60 F91 L94Q57-Y69 WeakPolarHBondContact CA-O 3.31Å; L58-Y69 HydrophobicContact CB-CE2 4.03Å; L58-Y69 HydrophobicContact CD1-CE2 4.27Å; L58-Y69 PolarHBondContact N-O 2.88Å; L58-Y69 PolarHBondContact O-N 2.91Å; V60-Y69 HydrophobicContact CG1-CE1 3.89Å; V60-Y69 HydrophobicContact CG2-CE1 3.91Å; Y69-F91 HydrophobicContact CD1-CE2 4.21Å; Y69-F91 HydrophobicContact CE1-CE2 4.26Å; Y69-L94 HydrophobicContact CD2-CD2 4.07Å; Y69-L94 HydrophobicContact CE1-CD2 4.33Å; Y69-L94 HydrophobicContact CE2-CD2 3.57Å
70V95.5Very high89.8Confident66 Ų6654.7 Ų54.740%0.430%0.302SS..EExtended strand (participates in β ladder)trans-97.6131174.2-179.20000108.6V46 E55 V56 Q57 S85V46-V70 HydrophobicContact CG2-CG1 4.17Å; E55-V70 HydrophobicContact CB-CG1 4.07Å; V56-V70 CarbonylContact O-C 3.56Å; V56-V70 WeakPolarHBondContact O-CA 3.33Å; Q57-V70 HydrophobicContact CB-CG2 4.07Å; Q57-V70 HydrophobicContact CG-CG2 4.18Å; V70-S85 WeakPolarHBondContact O-CB 3.29Å; V70-S85 PolarHBondContact O-OG 2.83Å
71S96.9Very high90.2Very high4 Ų454 Ų543%0.02830%0.298CS..EExtended strand (participates in β ladder)trans-117.1143.2174-55.10000110.3E55 V56 V84 S85E55-S71 WeakPolarHBondContact CA-O 3.34Å; V56-S71 PolarHBondContact N-O 3.11Å; V56-S71 PolarHBondContact O-N 3.24Å; S71-V84 CarbonylContact C-O 3.54Å; S71-V84 WeakPolarHBondContact CA-O 3.12Å; S71-S85 WeakPolarHBondContact OG-CB 3.39Å
72T97.6Very high90.7Very high60 Ų6057.5 Ų57.537%0.36831%0.311SS..EExtended strand (participates in β ladder)trans-79120.2159.3-57.60000108.2S83 V84T72-S83 CarbonylContact O-C 3.52Å; T72-S83 WeakPolarHBondContact O-CA 3.27Å; T72-V84 PolarHBondContact N-O 2.84Å; T72-V84 PolarHBondContact O-N 2.86Å
73V98.3Very high91.7Very high7 Ų756 Ų564%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-104.3125.4177.8179.50000108.9C53 S54 V56 L75 V81 K82C53-V73 VanDerWaalsContact CA-O 3.29Å; C53-V73 WeakPolarHBondContact CA-O 3.24Å; S54-V73 PolarHBondContact N-O 2.8Å; S54-V73 PolarHBondContact O-N 3.09Å; V56-V73 HydrophobicContact CB-CG2 3.95Å; V56-V73 HydrophobicContact CG2-CB 4.25Å; V56-V73 HydrophobicContact CG2-CG2 3.65Å; V73-L75 HydrophobicContact CG1-CD2 3.98Å; V73-V81 HydrophobicContact CG1-CG1 4.1Å; V73-K82 CarbonylContact C-O 3.58Å; V73-K82 VanDerWaalsContact CA-O 3.3Å; V73-K82 WeakPolarHBondContact CA-O 3.44Å
74T98.4Very high93.1Very high61 Ų6152.4 Ų52.437%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-119.5137177.5-45.60000110.6R52 K82R52-T74 CarbonylContact O-C 3.48Å; R52-T74 VanDerWaalsContact O-CA 3.29Å; R52-T74 WeakPolarHBondContact O-CA 3.34Å; T74-K82 PolarHBondContact N-O 2.82Å; T74-K82 PolarHBondContact O-N 3.21Å
75L98Very high94.1Very high36 Ų3646.3 Ų46.319%0.18824%0.242CC..EExtended strand (participates in β ladder)trans-117.9133.4-174.1-52.6179.9000111.2F24 A28 R52 V73 L80 V81F24-L75 HydrophobicContact CZ-CB 4.28Å; A28-L75 HydrophobicContact CB-CD1 4.3Å; A28-L75 HydrophobicContact CB-CD2 4.05Å; R52-L75 PolarHBondContact O-N 3.3Å; V73-L75 HydrophobicContact CG1-CD2 3.98Å; L75-L80 WeakPolarHBondContact CA-O 3.38Å; L75-V81 HydrophobicContact CD2-CB 4.18Å; L75-V81 HydrophobicContact CD2-CG1 3.79Å; L75-V81 HydrophobicContact CD2-CG2 3.81Å
76I96.6Very high94.8Very high88 Ų8846.7 Ų46.745%0.45125%0.247SC..EExtended strand (participates in β ladder)trans-123.394.8163.7-51.5178.9000106.7P78 Y79 L80I76-P78 CarbonylContact O-C 3.58Å; I76-Y79 HydrophobicContact CG2-CD2 4.32Å; I76-Y79 CarbonylContact O-C 3.6Å; I76-Y79 WeakPolarHBondContact O-CA 3.5Å; I76-Y79 PolarHBondContact O-N 3.43Å; I76-L80 HydrophobicContact CB-CB 3.89Å; I76-L80 HydrophobicContact CD1-CB 4.32Å; I76-L80 HydrophobicContact CD1-CD2 3.78Å; I76-L80 HydrophobicContact CG1-CB 4.19Å; I76-L80 HydrophobicContact CG1-CD2 4.21Å; I76-L80 PolarHBondContact N-O 2.77Å; I76-L80 PolarHBondContact O-N 3.06Å
77R95.4Very high94.7Very high149 Ų14949.1 Ų49.156%0.56226%0.257SS*.THydrogen-bonded Turntrans-71.3138.6-175.2-177.9176-82.5-89.32.2111.7F24 C25F24-R77 HydrophobicContact CD1-CG 4.06Å; F24-R77 HydrophobicContact CE1-CB 3.8Å; F24-R77 HydrophobicContact CE1-CG 3.68Å; F24-R77 VanDerWaalsContact CE1-CZ 3.43Å; F24-R77 HydrophobicContact CE2-CB 4.29Å; F24-R77 VanDerWaalsContact CZ-CA 3.48Å; F24-R77 HydrophobicContact CZ-CB 3.63Å; F24-R77 HydrophobicContact CZ-CG 4.03Å; C25-R77 PolarHBondContact SG-NH1 2.97Å
78P93.9Very high94.6Very high13 Ų1349.5 Ų49.58%0.08426%0.26CS..THydrogen-bonded Turncis-92.921.7-11.839-37000113.6I20 E21 F24 I76 F100I20-P78 HydrophobicContact CD1-CG 3.86Å; I20-P78 HydrophobicContact CG1-CB 4.47Å; I20-P78 HydrophobicContact CG1-CG 4.26Å; E21-P78 HydrophobicContact CG-CB 4.05Å; E21-P78 HydrophobicContact CG-CG 4.34Å; F24-P78 HydrophobicContact CB-CB 4.24Å; F24-P78 HydrophobicContact CD2-CB 4.48Å; F24-P78 VanDerWaalsContact CD2-O 3.25Å; F24-P78 WeakPolarHBondContact CD2-O 3.36Å; F24-P78 HydrophobicContact CG-CB 4.19Å; I76-P78 CarbonylContact O-C 3.58Å; P78-F100 WeakPolarHBondContact O-CB 3.44Å; P78-F100 WeakPolarHBondContact O-CD2 3.43Å
79Y93.2Very high94.1Very high87 Ų8755 Ų5534%0.34127%0.273SS..THydrogen-bonded Turntrans-97-28.5-163.2-50.8-61.9000115.5I20 I76 H99 F100 R102I20-Y79 HydrophobicContact CD1-CD1 4.49Å; I20-Y79 HydrophobicContact CD1-CE1 4.31Å; I76-Y79 HydrophobicContact CG2-CD2 4.32Å; I76-Y79 CarbonylContact O-C 3.6Å; I76-Y79 WeakPolarHBondContact O-CA 3.5Å; I76-Y79 PolarHBondContact O-N 3.43Å; Y79-H99 WeakPolarHBondContact O-CA 3.37Å; Y79-F100 PolarHBondContact O-N 2.83Å; Y79-R102 HydrophobicContact CE1-CG 4.07Å; Y79-R102 VanDerWaalsContact OH-CZ 3.31Å; Y79-R102 PolarHBondContact OH-NE 2.96Å
80L94.7Very high93.4Very high34 Ų3454.7 Ų54.718%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-145.6130.7-169.7-16675.9000113.1F24 L75 I76 K82 L97 W98F24-L80 WeakPolarHBondContact CE2-O 3.4Å; L75-L80 WeakPolarHBondContact CA-O 3.38Å; I76-L80 HydrophobicContact CB-CB 3.89Å; I76-L80 HydrophobicContact CD1-CB 4.32Å; I76-L80 HydrophobicContact CD1-CD2 3.78Å; I76-L80 HydrophobicContact CG1-CB 4.19Å; I76-L80 HydrophobicContact CG1-CD2 4.21Å; I76-L80 PolarHBondContact N-O 2.77Å; I76-L80 PolarHBondContact O-N 3.06Å; L80-K82 HydrophobicContact CD2-CB 4.37Å; L80-L97 HydrophobicContact CD1-CD1 4.07Å; L80-L97 HydrophobicContact CD1-CD2 3.55Å; L80-L97 HydrophobicContact CD1-CG 3.66Å; L80-W98 WeakPolarHBondContact CA-O 3.35Å
81V97.2Very high92.8Very high4 Ų452.3 Ų52.32%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-120117.5158.8-178.90000107.5F24 A27 A28 V73 L75 L97 W98 F100F24-V81 HydrophobicContact CD2-CG2 4.04Å; F24-V81 HydrophobicContact CE2-CG2 3.79Å; F24-V81 HydrophobicContact CZ-CG2 4.34Å; A27-V81 HydrophobicContact CB-CB 4.38Å; A27-V81 HydrophobicContact CB-CG2 3.96Å; A28-V81 HydrophobicContact CB-CG2 4.23Å; V73-V81 HydrophobicContact CG1-CG1 4.1Å; L75-V81 HydrophobicContact CD2-CB 4.18Å; L75-V81 HydrophobicContact CD2-CG1 3.79Å; L75-V81 HydrophobicContact CD2-CG2 3.81Å; V81-L97 CarbonylContact O-C 3.57Å; V81-L97 WeakPolarHBondContact O-CA 3.37Å; V81-W98 HydrophobicContact CB-CB 4.13Å; V81-W98 PolarHBondContact N-O 2.91Å; V81-W98 PolarHBondContact O-N 2.87Å; V81-F100 HydrophobicContact CG2-CE2 4.33Å
82K97.6Very high92.4Very high82 Ų8256.4 Ų56.436%0.35728%0.275SS..EExtended strand (participates in β ladder)trans-117.3129.9177.7-177.3-179.2178-176.50109.4V73 T74 L80 V84 S96V73-K82 CarbonylContact C-O 3.58Å; V73-K82 VanDerWaalsContact CA-O 3.3Å; V73-K82 WeakPolarHBondContact CA-O 3.44Å; T74-K82 PolarHBondContact N-O 2.82Å; T74-K82 PolarHBondContact O-N 3.21Å; L80-K82 HydrophobicContact CD2-CB 4.37Å; K82-V84 HydrophobicContact CD-CG2 4.39Å; K82-V84 HydrophobicContact CG-CG2 4.28Å; K82-S96 CarbonylContact C-O 3.51Å; K82-S96 WeakPolarHBondContact CA-O 3.36Å
83S97.2Very high92.1Very high13 Ų1357 Ų579%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-112.7142.1166.791.80000110T72 I95 S96T72-S83 CarbonylContact O-C 3.52Å; T72-S83 WeakPolarHBondContact O-CA 3.27Å; S83-I95 VanDerWaalsContact O-CA 3.28Å; S83-I95 WeakPolarHBondContact O-CA 3.44Å; S83-S96 WeakPolarHBondContact CB-OG 3.39Å; S83-S96 PolarHBondContact N-O 2.8Å; S83-S96 PolarHBondContact O-N 2.95Å; S83-S96 PolarHBondContact OG-OG 3.01Å
84V96.6Very high91.8Very high37 Ų3757.2 Ų57.222%0.22428%0.275CS..EExtended strand (participates in β ladder)trans-133.2125.8171.7-176.30000108.6S71 T72 K82 L94 I95S71-V84 CarbonylContact C-O 3.54Å; S71-V84 WeakPolarHBondContact CA-O 3.12Å; T72-V84 PolarHBondContact N-O 2.84Å; T72-V84 PolarHBondContact O-N 2.86Å; K82-V84 HydrophobicContact CD-CG2 4.39Å; K82-V84 HydrophobicContact CG-CG2 4.28Å; V84-L94 CarbonylContact C-O 3.56Å; V84-L94 WeakPolarHBondContact CA-O 3.28Å; V84-I95 HydrophobicContact CG1-CG1 4.39Å; V84-I95 HydrophobicContact CG2-CG1 4.39Å; V84-I95 HydrophobicContact CG2-CG2 4.39Å
85S94.4Very high91.5Very high3 Ų355.3 Ų55.32%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-122.6137.4167.9-165.80000108V70 S71 T88 Q93 L94V70-S85 WeakPolarHBondContact O-CB 3.29Å; V70-S85 PolarHBondContact O-OG 2.83Å; S71-S85 WeakPolarHBondContact OG-CB 3.39Å; S85-T88 WeakPolarHBondContact OG-CG2 3.36Å; S85-Q93 CarbonylContact O-C 3.57Å; S85-Q93 WeakPolarHBondContact O-CA 3.34Å; S85-L94 PolarHBondContact N-O 2.83Å; S85-L94 PolarHBondContact O-N 3.39Å
86S91.8Very high91.3Very high59 Ų5954.7 Ų54.741%0.41326%0.261SS..EExtended strand (participates in β ladder)trans-135.4155.2-179.9-59.70000109.6T88 K92S86-T88 PolarHBondContact O-N 2.83Å; S86-K92 WeakPolarHBondContact CA-O 3.39Å
87D84.8Confident91.1Very high132 Ų13251.7 Ų51.771%0.70625%0.246SC*.SBendtrans53.339.8172.2-55-46.4000114K92D87-K92 PolarHBondContact N-O 2.81Å
88T83.3Confident91Very high21 Ų2144.7 Ų44.713%0.12922%0.219CC..  trans-87.1168171.972.60000110.2S85 S86 L90 F91 Q118S85-T88 WeakPolarHBondContact OG-CG2 3.36Å; S86-T88 PolarHBondContact O-N 2.83Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.19Å; T88-F91 WeakPolarHBondContact CA-O 3.49Å; T88-F91 PolarHBondContact N-O 2.83Å; T88-F91 WeakPolarHBondContact OG1-CA 3.39Å; T88-F91 WeakPolarHBondContact OG1-CB 3.33Å; T88-F91 PolarHBondContact OG1-N 3.18Å; T88-F91 PolarHBondContact OG1-O 3.46Å; T88-Q118 WeakPolarHBondContact O-CG 3.49Å; T88-Q118 PolarHBondContact O-NE2 3.45Å
89R81.6Confident91Very high167 Ų16746 Ų4663%0.6322%0.224SC*.SBendtrans-62.1-36.1177.5166.1178.491.3153.311.3113E67 Q118E67-R89 VanDerWaalsContact CD-NE 3.28Å; E67-R89 WeakPolarHBondContact OE1-CB 3.18Å; E67-R89 WeakPolarHBondContact OE1-CG 3.48Å; E67-R89 IonicContact OE1-CZ 3.05Å; E67-R89 IonicContact OE1-NE 2.91Å; E67-R89 PolarHBondContact OE1-NE 3.25Å; E67-R89 IonicContact OE1-NH2 2.58Å; E67-R89 IonicContact OE2-CZ 2.83Å; E67-R89 IonicContact OE2-NE 3.7Å; E67-R89 PolarHBondContact OE2-NE 3.14Å; E67-R89 IonicContact OE2-NH2 3.71Å; E67-R89 PolarHBondContact OE2-NH2 3.42Å; R89-Q118 WeakPolarHBondContact O-CG 3.3Å
90L78.6Confident90.8Very high25 Ų2541.9 Ų41.913%0.13121%0.208CC..SBendtrans-87.7-46.2175.2-72.8-177000113.2E67 T88 F117 Q118 H122E67-L90 HydrophobicContact CB-CD1 3.57Å; E67-L90 HydrophobicContact CB-CG 4.3Å; E67-L90 HydrophobicContact CG-CD1 3.51Å; E67-L90 HydrophobicContact CG-CG 3.76Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.19Å; L90-F117 WeakPolarHBondContact O-CD1 3.41Å; L90-Q118 PolarHBondContact O-N 2.67Å; L90-H122 VanDerWaalsContact CD2-CD2 3.48Å; L90-H122 WeakPolarHBondContact CD2-CD2 3.37Å
91F83.4Confident90.3Very high16 Ų1640.9 Ų40.97%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-112.5126.6-169.8-48.9-77.2000110.7Y69 T88 Q93 L94 E116 F117Y69-F91 HydrophobicContact CD1-CE2 4.21Å; Y69-F91 HydrophobicContact CE1-CE2 4.26Å; T88-F91 WeakPolarHBondContact CA-O 3.49Å; T88-F91 PolarHBondContact N-O 2.83Å; T88-F91 WeakPolarHBondContact OG1-CA 3.39Å; T88-F91 WeakPolarHBondContact OG1-CB 3.33Å; T88-F91 PolarHBondContact OG1-N 3.18Å; T88-F91 PolarHBondContact OG1-O 3.46Å; F91-Q93 VanDerWaalsContact C-N 3.25Å; F91-L94 HydrophobicContact CB-CB 4.07Å; F91-L94 HydrophobicContact CD1-CB 4.37Å; F91-L94 HydrophobicContact CD2-CB 4.18Å; F91-L94 HydrophobicContact CD2-CD2 4.06Å; F91-L94 HydrophobicContact CE2-CD2 3.94Å; F91-L94 HydrophobicContact CG-CB 3.96Å; F91-L94 HydrophobicContact CZ-CD2 4.33Å; F91-E116 CarbonylContact C-O 3.5Å; F91-E116 WeakPolarHBondContact CA-O 3.28Å; F91-F117 AromaticContact CD1-CD1 3.92Å; F91-F117 HydrophobicContact CD1-CD1 3.92Å; F91-F117 AromaticContact CD1-CE1 3.61Å; F91-F117 HydrophobicContact CD1-CE1 3.61Å; F91-F117 HydrophobicContact CD1-CZ 4.16Å; F91-F117 HydrophobicContact CE1-CD1 4.02Å; F91-F117 AromaticContact CE1-CE1 3.22Å; F91-F117 HydrophobicContact CE1-CE1 3.22Å; F91-F117 AromaticContact CE1-CZ 3.56Å; F91-F117 HydrophobicContact CE1-CZ 3.56Å; F91-F117 HydrophobicContact CZ-CE1 4.07Å; F91-F117 HydrophobicContact CZ-CZ 4.5Å
92K88.2Confident89.4Confident90 Ų9048.4 Ų48.439%0.39123%0.232SC..EExtended strand (participates in β ladder)trans-65.4-37.6160.2-173.6171.8165-159.20110.2S86 D87 E116S86-K92 WeakPolarHBondContact CA-O 3.39Å; D87-K92 PolarHBondContact N-O 2.81Å; K92-E116 HydrophobicContact CB-CB 4.3Å; K92-E116 HydrophobicContact CB-CG 4.13Å; K92-E116 HydrophobicContact CD-CG 4.26Å; K92-E116 WeakPolarHBondContact CD-OE1 3.44Å; K92-E116 WeakPolarHBondContact CE-OE1 3.39Å; K92-E116 PolarHBondContact N-O 2.73Å; K92-E116 IonicContact NZ-OE1 2.8Å; K92-E116 PolarHBondContact NZ-OE1 2.94Å
93Q90.8Very high87.8Confident73 Ų7349.9 Ų49.934%0.34124%0.243SC..EExtended strand (participates in β ladder)trans-149.9140.7169.3-161.817337.400111.2S85 F91 I95 Y115 E116S85-Q93 CarbonylContact O-C 3.57Å; S85-Q93 WeakPolarHBondContact O-CA 3.34Å; F91-Q93 VanDerWaalsContact C-N 3.25Å; Q93-I95 HydrophobicContact CG-CD1 4.32Å; Q93-I95 HydrophobicContact CG-CG1 4Å; Q93-Y115 CarbonylContact O-C 3.57Å; Q93-Y115 VanDerWaalsContact O-CA 3.25Å; Q93-Y115 WeakPolarHBondContact O-CA 3.47Å; Q93-E116 HydrophobicContact CB-CB 4.38Å; Q93-E116 PolarHBondContact N-O 2.82Å; Q93-E116 PolarHBondContact O-N 2.83Å
94L91.1Very high85.8Confident12 Ų1254.4 Ų54.46%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-134.4117.1169.7173.564.9000108.2Y69 V84 S85 F91 V113Y69-L94 HydrophobicContact CD2-CD2 4.07Å; Y69-L94 HydrophobicContact CE1-CD2 4.33Å; Y69-L94 HydrophobicContact CE2-CD2 3.57Å; V84-L94 CarbonylContact C-O 3.56Å; V84-L94 WeakPolarHBondContact CA-O 3.28Å; S85-L94 PolarHBondContact N-O 2.83Å; S85-L94 PolarHBondContact O-N 3.39Å; F91-L94 HydrophobicContact CB-CB 4.07Å; F91-L94 HydrophobicContact CD1-CB 4.37Å; F91-L94 HydrophobicContact CD2-CB 4.18Å; F91-L94 HydrophobicContact CD2-CD2 4.06Å; F91-L94 HydrophobicContact CE2-CD2 3.94Å; F91-L94 HydrophobicContact CG-CB 3.96Å; F91-L94 HydrophobicContact CZ-CD2 4.33Å; L94-V113 HydrophobicContact CD1-CG1 3.77Å
95I93.4Very high83.4Confident20 Ų2060.9 Ų60.910%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-116.5128.4176.1-53.5177.8000108S83 V84 Q93 V113 M114S83-I95 VanDerWaalsContact O-CA 3.28Å; S83-I95 WeakPolarHBondContact O-CA 3.44Å; V84-I95 HydrophobicContact CG1-CG1 4.39Å; V84-I95 HydrophobicContact CG2-CG1 4.39Å; V84-I95 HydrophobicContact CG2-CG2 4.39Å; Q93-I95 HydrophobicContact CG-CD1 4.32Å; Q93-I95 HydrophobicContact CG-CG1 4Å; I95-V113 CarbonylContact O-C 3.53Å; I95-V113 WeakPolarHBondContact O-CA 3.33Å; I95-M114 HydrophobicContact CB-CB 4.18Å; I95-M114 HydrophobicContact CB-SD 4.19Å; I95-M114 HydrophobicContact CD1-CE 4.44Å; I95-M114 HydrophobicContact CD1-SD 4.24Å; I95-M114 HydrophobicContact CG2-SD 4.18Å; I95-M114 PolarHBondContact N-O 2.78Å; I95-M114 PolarHBondContact O-N 2.82Å
96S92.9Very high81.4Confident23 Ų2369.7 Ų69.716%0.16132%0.323CS..EExtended strand (participates in β ladder)trans-117.5143.6166.478.30000109.9K82 S83 Q112K82-S96 CarbonylContact C-O 3.51Å; K82-S96 WeakPolarHBondContact CA-O 3.36Å; S83-S96 WeakPolarHBondContact CB-OG 3.39Å; S83-S96 PolarHBondContact N-O 2.8Å; S83-S96 PolarHBondContact O-N 2.95Å; S83-S96 PolarHBondContact OG-OG 3.01Å; S96-Q112 CarbonylContact C-O 3.55Å; S96-Q112 WeakPolarHBondContact CA-O 3.41Å
97L93.7Very high79.8Confident26 Ų2674.5 Ų74.514%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-143.4115.2-177.3-169158.8000109.6L80 V81 H99 Y110 F111 Q112L80-L97 HydrophobicContact CD1-CD1 4.07Å; L80-L97 HydrophobicContact CD1-CD2 3.55Å; L80-L97 HydrophobicContact CD1-CG 3.66Å; V81-L97 CarbonylContact O-C 3.57Å; V81-L97 WeakPolarHBondContact O-CA 3.37Å; L97-H99 HydrophobicContact CD2-CB 3.7Å; L97-Y110 HydrophobicContact CD2-CE2 3.71Å; L97-F111 CarbonylContact O-C 3.53Å; L97-F111 WeakPolarHBondContact O-CA 3.27Å; L97-Q112 HydrophobicContact CB-CB 4.3Å; L97-Q112 PolarHBondContact N-O 3.37Å; L97-Q112 PolarHBondContact O-N 2.81Å
98W93.5Very high79.2Confident2 Ų272.6 Ų72.61%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-96.1121164.7-70.484.7000108.8Y14 A27 L80 V81 F100 F111 I138 F141Y14-W98 HydrophobicContact CE1-CE3 4.19Å; Y14-W98 AromaticContact CE1-CZ3 3.9Å; Y14-W98 HydrophobicContact CE1-CZ3 3.9Å; A27-W98 HydrophobicContact CB-CB 4.26Å; A27-W98 HydrophobicContact CB-CD2 4Å; A27-W98 HydrophobicContact CB-CG 3.83Å; L80-W98 WeakPolarHBondContact CA-O 3.35Å; V81-W98 HydrophobicContact CB-CB 4.13Å; V81-W98 PolarHBondContact N-O 2.91Å; V81-W98 PolarHBondContact O-N 2.87Å; W98-F100 HydrophobicContact CB-CE2 3.72Å; W98-F100 HydrophobicContact CB-CZ 3.65Å; W98-F100 HydrophobicContact CD2-CZ 4.35Å; W98-F100 HydrophobicContact CE3-CE1 4.07Å; W98-F100 AromaticContact CE3-CZ 3.99Å; W98-F100 HydrophobicContact CE3-CZ 3.99Å; W98-F100 HydrophobicContact CG-CZ 4.26Å; W98-F111 AromaticContact CD1-CD2 3.6Å; W98-F111 AromaticContact CD1-CE2 3.67Å; W98-F111 HydrophobicContact CD2-CB 4.24Å; W98-F111 AromaticContact CD2-CD2 3.6Å; W98-F111 HydrophobicContact CD2-CD2 3.6Å; W98-F111 HydrophobicContact CD2-CE2 4.3Å; W98-F111 HydrophobicContact CD2-CG 4.19Å; W98-F111 AromaticContact CE2-CD2 3.28Å; W98-F111 AromaticContact CE2-CE2 3.62Å; W98-F111 AromaticContact CE2-CG 3.88Å; W98-F111 HydrophobicContact CE3-CB 4.11Å; W98-F111 HydrophobicContact CE3-CD2 4.32Å; W98-F111 AromaticContact CG-CD2 3.78Å; W98-F111 HydrophobicContact CG-CD2 3.78Å; W98-F111 HydrophobicContact CG-CE2 4.32Å; W98-F111 HydrophobicContact CH2-CB 4.21Å; W98-F111 HydrophobicContact CH2-CD2 4.45Å; W98-F111 HydrophobicContact CH2-CG 4.24Å; W98-F111 HydrophobicContact CZ2-CB 4.33Å; W98-F111 HydrophobicContact CZ2-CD1 4.38Å; W98-F111 AromaticContact CZ2-CD2 3.76Å; W98-F111 HydrophobicContact CZ2-CD2 3.76Å; W98-F111 HydrophobicContact CZ2-CE2 4.09Å; W98-F111 AromaticContact CZ2-CG 3.9Å; W98-F111 HydrophobicContact CZ2-CG 3.9Å; W98-F111 HydrophobicContact CZ3-CB 4.1Å; W98-F111 AromaticContact NE1-CD2 3.29Å; W98-F111 VanDerWaalsContact NE1-CD2 3.29Å; W98-F111 AromaticContact NE1-CE2 3.2Å; W98-I138 HydrophobicContact CH2-CD1 4.26Å; W98-I138 HydrophobicContact CZ3-CD1 4.46Å; W98-F141 AromaticContact CE2-CE1 3.87Å; W98-F141 HydrophobicContact CH2-CB 3.91Å; W98-F141 AromaticContact CH2-CD1 3.53Å; W98-F141 HydrophobicContact CH2-CD1 3.53Å; W98-F141 AromaticContact CH2-CD2 3.9Å; W98-F141 HydrophobicContact CH2-CD2 3.9Å; W98-F141 AromaticContact CH2-CE1 3.96Å; W98-F141 HydrophobicContact CH2-CE1 3.96Å; W98-F141 HydrophobicContact CH2-CE2 4.28Å; W98-F141 AromaticContact CH2-CG 3.48Å; W98-F141 HydrophobicContact CH2-CG 3.48Å; W98-F141 VanDerWaalsContact CH2-CG 3.48Å; W98-F141 HydrophobicContact CH2-CZ 4.31Å; W98-F141 AromaticContact CZ2-CD1 3.57Å; W98-F141 HydrophobicContact CZ2-CD1 3.57Å; W98-F141 AromaticContact CZ2-CD2 3.77Å; W98-F141 HydrophobicContact CZ2-CD2 3.77Å; W98-F141 AromaticContact CZ2-CE1 3.48Å; W98-F141 HydrophobicContact CZ2-CE1 3.48Å; W98-F141 VanDerWaalsContact CZ2-CE1 3.48Å; W98-F141 AromaticContact CZ2-CE2 3.67Å; W98-F141 HydrophobicContact CZ2-CE2 3.67Å; W98-F141 AromaticContact CZ2-CG 3.71Å; W98-F141 HydrophobicContact CZ2-CG 3.71Å; W98-F141 AromaticContact CZ2-CZ 3.53Å; W98-F141 HydrophobicContact CZ2-CZ 3.53Å; W98-F141 HydrophobicContact CZ3-CD1 4.2Å; W98-F141 HydrophobicContact CZ3-CG 4.42Å
99H92.1Very high79.2Confident39 Ų3971.6 Ų71.618%0.18132%0.316CS..EExtended strand (participates in β ladder)trans-116.4128.3175.4-178-81.4000109.9Y79 L97 D109 Y110Y79-H99 WeakPolarHBondContact O-CA 3.37Å; L97-H99 HydrophobicContact CD2-CB 3.7Å; H99-D109 WeakPolarHBondContact O-CA 3.37Å; H99-Y110 HydrophobicContact CB-CD1 3.81Å; H99-Y110 HydrophobicContact CB-CD2 4.33Å; H99-Y110 HydrophobicContact CB-CE1 3.38Å; H99-Y110 HydrophobicContact CB-CE2 3.97Å; H99-Y110 HydrophobicContact CB-CG 4.26Å; H99-Y110 VanDerWaalsContact CB-CZ 3.45Å; H99-Y110 AromaticContact CG-CE1 3.45Å; H99-Y110 VanDerWaalsContact CG-CE1 3.45Å; H99-Y110 AromaticContact CG-CZ 3.84Å; H99-Y110 PolarHBondContact N-O 2.94Å; H99-Y110 AromaticContact ND1-CE1 3.63Å; H99-Y110 PolarHBondContact O-N 3.26Å; H99-Y110 VanDerWaalsContact O-N 3.12Å
100F90.7Very high79.3Confident1 Ų165.3 Ų65.30%0.00429%0.292CS..  trans-117.5112.4179.2-47.1-84.2000109Y14 I20 M23 F24 A27 P78 Y79 V81 W98Y14-F100 VanDerWaalsContact OH-CD1 3.22Å; Y14-F100 WeakPolarHBondContact OH-CD1 3.2Å; Y14-F100 WeakPolarHBondContact OH-CE1 3.44Å; I20-F100 HydrophobicContact CB-CB 3.98Å; I20-F100 HydrophobicContact CG2-CB 4.19Å; M23-F100 HydrophobicContact CB-CD1 3.98Å; M23-F100 HydrophobicContact CB-CE1 3.57Å; M23-F100 HydrophobicContact CB-CZ 4.48Å; F24-F100 HydrophobicContact CB-CD2 4.1Å; F24-F100 HydrophobicContact CB-CE2 3.99Å; F24-F100 HydrophobicContact CB-CZ 4.39Å; F24-F100 AromaticContact CD2-CD2 3.91Å; F24-F100 HydrophobicContact CD2-CD2 3.91Å; F24-F100 AromaticContact CD2-CE2 3.82Å; F24-F100 HydrophobicContact CD2-CE2 3.82Å; F24-F100 HydrophobicContact CG-CE2 4.36Å; A27-F100 HydrophobicContact CB-CE2 4.42Å; A27-F100 HydrophobicContact CB-CZ 3.82Å; P78-F100 WeakPolarHBondContact O-CB 3.44Å; P78-F100 WeakPolarHBondContact O-CD2 3.43Å; Y79-F100 PolarHBondContact O-N 2.83Å; V81-F100 HydrophobicContact CG2-CE2 4.33Å; W98-F100 HydrophobicContact CB-CE2 3.72Å; W98-F100 HydrophobicContact CB-CZ 3.65Å; W98-F100 HydrophobicContact CD2-CZ 4.35Å; W98-F100 HydrophobicContact CE3-CE1 4.07Å; W98-F100 AromaticContact CE3-CZ 3.99Å; W98-F100 HydrophobicContact CE3-CZ 3.99Å; W98-F100 HydrophobicContact CG-CZ 4.26Å
101S84.3Confident79.7Confident14 Ų1464.2 Ų64.210%0.09829%0.287CS..  trans-90.8139.5-178.6177.40000110.2K16 L103 R107 D109K16-S101 VanDerWaalsContact CE-O 3.27Å; K16-S101 WeakPolarHBondContact CE-O 3.5Å; K16-S101 PolarHBondContact NZ-O 2.94Å; S101-L103 PolarHBondContact OG-N 2.9Å; S101-L103 PolarHBondContact OG-O 2.99Å; S101-L103 VanDerWaalsContact OG-O 3.12Å; S101-R107 WeakPolarHBondContact CB-O 3.35Å; S101-R107 PolarHBondContact OG-O 2.74Å; S101-D109 PolarHBondContact N-OD1 3.4Å
102R76.3Confident79.9Confident161 Ų16163.8 Ų63.861%0.60829%0.285SS*.SBendtrans-75.1-35.2166.4-83.9-177.6174.1-173.4-1112.5I20 Y79 F104I20-R102 HydrophobicContact CD1-CG 3.56Å; Y79-R102 HydrophobicContact CE1-CG 4.07Å; Y79-R102 VanDerWaalsContact OH-CZ 3.31Å; Y79-R102 PolarHBondContact OH-NE 2.96Å; R102-F104 PolarHBondContact O-N 2.89Å
103L65.8Low79.8Confident114 Ų11460 Ų6060%0.59727%0.269SS*.  trans-86.3117.7-169.9-62.1172.7000110.4S101 Q105S101-L103 PolarHBondContact OG-N 2.9Å; S101-L103 PolarHBondContact OG-O 2.99Å; S101-L103 VanDerWaalsContact OG-O 3.12Å; L103-Q105 VanDerWaalsContact C-N 3.27Å; L103-Q105 PolarHBondContact O-N 3.07Å
104F54.9Low79.7Confident108 Ų10859 Ų5947%0.47427%0.265SS..THydrogen-bonded Turntrans-61.6-33.5174.3-97-84.9000112.9K16 R102 V155K16-F104 HydrophobicContact CB-CE1 4.34Å; K16-F104 HydrophobicContact CB-CZ 4.31Å; K16-F104 HydrophobicContact CD-CD1 4.48Å; K16-F104 HydrophobicContact CD-CE1 4.05Å; K16-F104 HydrophobicContact CD-CE2 4.3Å; K16-F104 HydrophobicContact CD-CZ 3.95Å; R102-F104 PolarHBondContact O-N 2.89Å; F104-V155 WeakPolarHBondContact CZ-O 3.02Å
105Q46.4Very low79.4Confident172 Ų17258.8 Ų58.880%0.80426%0.263SS*.THydrogen-bonded Turntrans-86.2-19.4-166.6-73.9-179.4-1200115.5L103L103-Q105 VanDerWaalsContact C-N 3.27Å; L103-Q105 PolarHBondContact O-N 3.07Å
106Y51.1Low79Confident188 Ų18858.4 Ų58.474%0.73726%0.261SS*.THydrogen-bonded Turntrans-118.6-26.8-169.4-71.9-77.7000115.3
107R58.7Low78.6Confident161 Ų16157.5 Ų57.561%0.60825%0.254SS*.  trans-151.5116.7176.4-64.2-170.8-162.6-173.96110.4S101S101-R107 WeakPolarHBondContact CB-O 3.35Å; S101-R107 PolarHBondContact OG-O 2.74Å
108N72.9Confident78.1Confident91 Ų9160.2 Ų60.249%0.48727%0.266SS..  trans-59.8150.4165.4-73.8-39.8000109.8Y13 Y110Y13-N108 HydrophobicContact CD1-CB 3.66Å; Y13-N108 HydrophobicContact CE1-CB 4.41Å; Y13-N108 HydrophobicContact CG-CB 4.39Å; N108-Y110 PolarHBondContact O-N 3.07Å
109D82.3Confident77.5Confident1 Ų161.8 Ų61.81%0.00528%0.278CS..  trans-61.1139.3167.8-63-12.7000108.3Y14 K16 H99 S101Y14-D109 HydrophobicContact CD1-CB 4.4Å; Y14-D109 HydrophobicContact CE1-CB 3.73Å; Y14-D109 HydrophobicContact CE2-CB 3.86Å; Y14-D109 VanDerWaalsContact CZ-CB 3.42Å; Y14-D109 PolarHBondContact N-O 2.95Å; Y14-D109 WeakPolarHBondContact OH-CB 3.25Å; K16-D109 WeakPolarHBondContact CE-OD1 3.5Å; K16-D109 VanDerWaalsContact CE-OD2 3.26Å; K16-D109 WeakPolarHBondContact CE-OD2 3.47Å; K16-D109 VanDerWaalsContact CG-OD2 3.3Å; K16-D109 WeakPolarHBondContact CG-OD2 3.27Å; K16-D109 IonicContact NZ-OD1 2.83Å; H99-D109 WeakPolarHBondContact O-CA 3.37Å; S101-D109 PolarHBondContact N-OD1 3.4Å
110Y84.8Confident76.9Confident35 Ų3564.6 Ų64.614%0.13730%0.3CS..EExtended strand (participates in β ladder)trans-141.5148.3-178.271.4-92.8000111.7Y11 Y12 Y13 L97 H99 N108 Q112Y11-Y110 AromaticContact CD1-CD2 3.95Å; Y11-Y110 HydrophobicContact CD1-CD2 3.95Å; Y11-Y110 HydrophobicContact CD1-CE2 4.15Å; Y11-Y110 HydrophobicContact CE1-CD2 4.14Å; Y11-Y110 AromaticContact CE1-CE2 3.86Å; Y11-Y110 HydrophobicContact CE1-CE2 3.86Å; Y12-Y110 CarbonylContact O-C 3.56Å; Y12-Y110 VanDerWaalsContact O-CA 3.22Å; Y12-Y110 WeakPolarHBondContact O-CA 3.47Å; Y12-Y110 WeakPolarHBondContact O-CB 3.34Å; Y13-Y110 HydrophobicContact CE1-CD1 4.49Å; Y13-Y110 HydrophobicContact CE1-CG 4.5Å; L97-Y110 HydrophobicContact CD2-CE2 3.71Å; H99-Y110 HydrophobicContact CB-CD1 3.81Å; H99-Y110 HydrophobicContact CB-CD2 4.33Å; H99-Y110 HydrophobicContact CB-CE1 3.38Å; H99-Y110 HydrophobicContact CB-CE2 3.97Å; H99-Y110 HydrophobicContact CB-CG 4.26Å; H99-Y110 VanDerWaalsContact CB-CZ 3.45Å; H99-Y110 AromaticContact CG-CE1 3.45Å; H99-Y110 VanDerWaalsContact CG-CE1 3.45Å; H99-Y110 AromaticContact CG-CZ 3.84Å; H99-Y110 PolarHBondContact N-O 2.94Å; H99-Y110 AromaticContact ND1-CE1 3.63Å; H99-Y110 PolarHBondContact O-N 3.26Å; H99-Y110 VanDerWaalsContact O-N 3.12Å; N108-Y110 PolarHBondContact O-N 3.07Å; Y110-Q112 HydrophobicContact CD2-CB 4.06Å; Y110-Q112 HydrophobicContact CE2-CB 4.04Å
111F86.4Confident76.4Confident2 Ų270.3 Ų70.31%0.00933%0.329CS..EExtended strand (participates in β ladder)trans-109.1132.8165.4176-122.9000108Y12 L97 W98 V113 T134 M137 I138Y12-F111 PolarHBondContact N-O 3Å; Y12-F111 PolarHBondContact O-N 2.92Å; L97-F111 CarbonylContact O-C 3.53Å; L97-F111 WeakPolarHBondContact O-CA 3.27Å; W98-F111 AromaticContact CD1-CD2 3.6Å; W98-F111 AromaticContact CD1-CE2 3.67Å; W98-F111 HydrophobicContact CD2-CB 4.24Å; W98-F111 AromaticContact CD2-CD2 3.6Å; W98-F111 HydrophobicContact CD2-CD2 3.6Å; W98-F111 HydrophobicContact CD2-CE2 4.3Å; W98-F111 HydrophobicContact CD2-CG 4.19Å; W98-F111 AromaticContact CE2-CD2 3.28Å; W98-F111 AromaticContact CE2-CE2 3.62Å; W98-F111 AromaticContact CE2-CG 3.88Å; W98-F111 HydrophobicContact CE3-CB 4.11Å; W98-F111 HydrophobicContact CE3-CD2 4.32Å; W98-F111 AromaticContact CG-CD2 3.78Å; W98-F111 HydrophobicContact CG-CD2 3.78Å; W98-F111 HydrophobicContact CG-CE2 4.32Å; W98-F111 HydrophobicContact CH2-CB 4.21Å; W98-F111 HydrophobicContact CH2-CD2 4.45Å; W98-F111 HydrophobicContact CH2-CG 4.24Å; W98-F111 HydrophobicContact CZ2-CB 4.33Å; W98-F111 HydrophobicContact CZ2-CD1 4.38Å; W98-F111 AromaticContact CZ2-CD2 3.76Å; W98-F111 HydrophobicContact CZ2-CD2 3.76Å; W98-F111 HydrophobicContact CZ2-CE2 4.09Å; W98-F111 AromaticContact CZ2-CG 3.9Å; W98-F111 HydrophobicContact CZ2-CG 3.9Å; W98-F111 HydrophobicContact CZ3-CB 4.1Å; W98-F111 AromaticContact NE1-CD2 3.29Å; W98-F111 VanDerWaalsContact NE1-CD2 3.29Å; W98-F111 AromaticContact NE1-CE2 3.2Å; F111-V113 HydrophobicContact CD1-CG2 4.19Å; F111-V113 HydrophobicContact CE1-CG2 3.3Å; F111-V113 HydrophobicContact CE2-CG2 3.94Å; F111-V113 HydrophobicContact CZ-CG2 3.15Å; F111-T134 HydrophobicContact CE1-CG2 4.18Å; F111-M137 HydrophobicContact CE1-CE 4.33Å; F111-M137 HydrophobicContact CE1-CG 4.09Å; F111-M137 HydrophobicContact CE1-SD 3.54Å; F111-M137 VanDerWaalsContact CE1-SD 3.54Å; F111-M137 HydrophobicContact CZ-CE 3.84Å; F111-M137 HydrophobicContact CZ-SD 3.6Å; F111-I138 HydrophobicContact CB-CD1 3.78Å; F111-I138 HydrophobicContact CD1-CD1 4.43Å
112Q87.2Confident75.9Confident7 Ų772.5 Ų72.53%0.03334%0.338CS..EExtended strand (participates in β ladder)trans-124.8138.9178.1179-173.54.500109.4C10 Y11 S96 L97 Y110 M114C10-Q112 WeakPolarHBondContact O-CA 3.49Å; Y11-Q112 HydrophobicContact CD1-CB 3.89Å; Y11-Q112 HydrophobicContact CD1-CG 3.86Å; Y11-Q112 HydrophobicContact CD2-CG 4.17Å; Y11-Q112 HydrophobicContact CE1-CB 3.93Å; Y11-Q112 HydrophobicContact CE1-CG 3.69Å; Y11-Q112 HydrophobicContact CE2-CG 4.01Å; Y11-Q112 HydrophobicContact CG-CB 4.45Å; Y11-Q112 HydrophobicContact CG-CG 4.12Å; Y11-Q112 VanDerWaalsContact CZ-OE1 3.23Å; Y11-Q112 PolarHBondContact OH-NE2 3.47Å; Y11-Q112 PolarHBondContact OH-OE1 3.4Å; Y11-Q112 VanDerWaalsContact OH-OE1 3.08Å; S96-Q112 CarbonylContact C-O 3.55Å; S96-Q112 WeakPolarHBondContact CA-O 3.41Å; L97-Q112 HydrophobicContact CB-CB 4.3Å; L97-Q112 PolarHBondContact N-O 3.37Å; L97-Q112 PolarHBondContact O-N 2.81Å; Y110-Q112 HydrophobicContact CD2-CB 4.06Å; Y110-Q112 HydrophobicContact CE2-CB 4.04Å; Q112-M114 HydrophobicContact CG-CG 4.02Å; Q112-M114 PolarHBondContact NE2-SD 2.81Å
113V87Confident75.9Confident11 Ų1165.2 Ų65.27%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-127.2131.3167-171.40000108.6C10 L94 I95 F111 Y115 F130 T134C10-V113 PolarHBondContact N-O 3.38Å; C10-V113 PolarHBondContact O-N 3.26Å; L94-V113 HydrophobicContact CD1-CG1 3.77Å; I95-V113 CarbonylContact O-C 3.53Å; I95-V113 WeakPolarHBondContact O-CA 3.33Å; F111-V113 HydrophobicContact CD1-CG2 4.19Å; F111-V113 HydrophobicContact CE1-CG2 3.3Å; F111-V113 HydrophobicContact CE2-CG2 3.94Å; F111-V113 HydrophobicContact CZ-CG2 3.15Å; V113-Y115 HydrophobicContact CG1-CD1 4.19Å; V113-F130 HydrophobicContact CG1-CZ 4.15Å; V113-T134 HydrophobicContact CG2-CG2 4.44Å
114M87.4Confident76.4Confident50 Ų5062.2 Ų62.225%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-123.8132.3175.8-44.9158.766.700107F8 Y9 I95 Q112F8-M114 WeakPolarHBondContact O-CA 3.12Å; Y9-M114 HydrophobicContact CD1-CB 4.01Å; Y9-M114 HydrophobicContact CD1-CE 3.71Å; Y9-M114 HydrophobicContact CD1-CG 3.78Å; Y9-M114 HydrophobicContact CD1-SD 4.5Å; Y9-M114 HydrophobicContact CE1-CB 4.27Å; Y9-M114 HydrophobicContact CE1-CE 3.35Å; Y9-M114 HydrophobicContact CE1-CG 4.28Å; I95-M114 HydrophobicContact CB-CB 4.18Å; I95-M114 HydrophobicContact CB-SD 4.19Å; I95-M114 HydrophobicContact CD1-CE 4.44Å; I95-M114 HydrophobicContact CD1-SD 4.24Å; I95-M114 HydrophobicContact CG2-SD 4.18Å; I95-M114 PolarHBondContact N-O 2.78Å; I95-M114 PolarHBondContact O-N 2.82Å; Q112-M114 HydrophobicContact CG-CG 4.02Å; Q112-M114 PolarHBondContact NE2-SD 2.81Å
115Y85.4Confident77.4Confident8 Ų860.6 Ų60.63%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-143.9147.518054.9-86.4000111.9R7 F8 Q93 V113 F117 F130R7-Y115 WeakPolarHBondContact CA-O 3.41Å; F8-Y115 HydrophobicContact CB-CD1 4.09Å; F8-Y115 HydrophobicContact CB-CD2 3.82Å; F8-Y115 HydrophobicContact CB-CE1 3.53Å; F8-Y115 HydrophobicContact CB-CE2 3.23Å; F8-Y115 HydrophobicContact CB-CG 4.24Å; F8-Y115 WeakPolarHBondContact CB-OH 3.42Å; F8-Y115 HydrophobicContact CD1-CE2 4.2Å; F8-Y115 AromaticContact CD2-CD2 3.73Å; F8-Y115 HydrophobicContact CD2-CD2 3.73Å; F8-Y115 AromaticContact CD2-CE2 3.15Å; F8-Y115 HydrophobicContact CD2-CE2 3.15Å; F8-Y115 AromaticContact CD2-CZ 3.89Å; F8-Y115 HydrophobicContact CE2-CE2 4.02Å; F8-Y115 HydrophobicContact CG-CD2 4.1Å; F8-Y115 HydrophobicContact CG-CE1 4.38Å; F8-Y115 AromaticContact CG-CE2 3.27Å; F8-Y115 HydrophobicContact CG-CE2 3.27Å; F8-Y115 AromaticContact CG-CZ 3.47Å; F8-Y115 VanDerWaalsContact CG-CZ 3.47Å; F8-Y115 WeakPolarHBondContact CG-OH 3.47Å; F8-Y115 PolarHBondContact N-O 3.27Å; F8-Y115 PolarHBondContact O-N 3.07Å; Q93-Y115 CarbonylContact O-C 3.57Å; Q93-Y115 VanDerWaalsContact O-CA 3.25Å; Q93-Y115 WeakPolarHBondContact O-CA 3.47Å; V113-Y115 HydrophobicContact CG1-CD1 4.19Å; Y115-F117 AromaticContact CD2-CD2 3.68Å; Y115-F117 HydrophobicContact CD2-CD2 3.68Å; Y115-F117 AromaticContact CD2-CE2 3.25Å; Y115-F117 HydrophobicContact CD2-CE2 3.25Å; Y115-F117 AromaticContact CD2-CZ 3.86Å; Y115-F117 HydrophobicContact CD2-CZ 3.86Å; Y115-F117 AromaticContact CE2-CD2 3.89Å; Y115-F117 HydrophobicContact CE2-CD2 3.89Å; Y115-F117 AromaticContact CE2-CE2 3.22Å; Y115-F117 HydrophobicContact CE2-CE2 3.22Å; Y115-F117 HydrophobicContact CE2-CZ 4.02Å; Y115-F117 HydrophobicContact CG-CE2 4.44Å; Y115-F130 AromaticContact CD1-CE1 3.99Å; Y115-F130 HydrophobicContact CD1-CE1 3.99Å; Y115-F130 AromaticContact CD1-CE2 3.92Å; Y115-F130 HydrophobicContact CD1-CE2 3.92Å; Y115-F130 AromaticContact CD1-CZ 3.45Å; Y115-F130 HydrophobicContact CD1-CZ 3.45Å; Y115-F130 VanDerWaalsContact CD1-CZ 3.45Å; Y115-F130 AromaticContact CE1-CD1 3.8Å; Y115-F130 HydrophobicContact CE1-CD1 3.8Å; Y115-F130 HydrophobicContact CE1-CD2 4.13Å; Y115-F130 AromaticContact CE1-CE1 3.23Å; Y115-F130 HydrophobicContact CE1-CE1 3.23Å; Y115-F130 AromaticContact CE1-CE2 3.59Å; Y115-F130 HydrophobicContact CE1-CE2 3.59Å; Y115-F130 HydrophobicContact CE1-CG 4.22Å; Y115-F130 AromaticContact CE1-CZ 3.11Å; Y115-F130 HydrophobicContact CE1-CZ 3.11Å; Y115-F130 HydrophobicContact CE2-CD2 4.42Å; Y115-F130 HydrophobicContact CE2-CE2 4.26Å; Y115-F130 HydrophobicContact CG-CE2 4.38Å; Y115-F130 HydrophobicContact CG-CZ 4.31Å; Y115-F130 AromaticContact CZ-CD1 3.93Å; Y115-F130 AromaticContact CZ-CD2 3.86Å; Y115-F130 AromaticContact CZ-CE1 3.83Å; Y115-F130 AromaticContact CZ-CE2 3.74Å; Y115-F130 AromaticContact CZ-CG 3.96Å; Y115-F130 AromaticContact CZ-CZ 3.73Å
116E86.4Confident78.6Confident13 Ų1353.4 Ų53.46%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-126.1115.7170.7-172.2173.8168.300107.7I6 R7 F91 K92 Q93I6-E116 HydrophobicContact CD1-CG 4.08Å; I6-E116 HydrophobicContact CG1-CG 4.23Å; I6-E116 VanDerWaalsContact O-CA 3.31Å; I6-E116 WeakPolarHBondContact O-CA 3.34Å; R7-E116 HydrophobicContact CG-CB 3.89Å; R7-E116 HydrophobicContact CG-CG 3.69Å; R7-E116 IonicContact CZ-OE2 2.83Å; R7-E116 VanDerWaalsContact CZ-OE2 3.22Å; R7-E116 VanDerWaalsContact NE-CD 3.34Å; R7-E116 IonicContact NE-OE1 2.82Å; R7-E116 IonicContact NE-OE2 3.81Å; R7-E116 PolarHBondContact NE-OE2 2.84Å; R7-E116 IonicContact NH2-OE1 3.83Å; R7-E116 IonicContact NH2-OE2 2.73Å; R7-E116 PolarHBondContact NH2-OE2 3.49Å; F91-E116 CarbonylContact C-O 3.5Å; F91-E116 WeakPolarHBondContact CA-O 3.28Å; K92-E116 HydrophobicContact CB-CB 4.3Å; K92-E116 HydrophobicContact CB-CG 4.13Å; K92-E116 HydrophobicContact CD-CG 4.26Å; K92-E116 WeakPolarHBondContact CD-OE1 3.44Å; K92-E116 WeakPolarHBondContact CE-OE1 3.39Å; K92-E116 PolarHBondContact N-O 2.73Å; K92-E116 IonicContact NZ-OE1 2.8Å; K92-E116 PolarHBondContact NZ-OE1 2.94Å; Q93-E116 HydrophobicContact CB-CB 4.38Å; Q93-E116 PolarHBondContact N-O 2.82Å; Q93-E116 PolarHBondContact O-N 2.83Å
117F83.2Confident79.6Confident3 Ų347.1 Ų47.11%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-78.1151.4177.7-77.6-72.7000112.1I6 F8 L90 F91 Y115 S119 H122 A123 A126I6-F117 WeakPolarHBondContact CD1-O 3.36Å; I6-F117 PolarHBondContact O-N 3.28Å; I6-F117 VanDerWaalsContact O-N 3.09Å; F8-F117 HydrophobicContact CD2-CD2 4.46Å; F8-F117 HydrophobicContact CE2-CD2 4.32Å; L90-F117 WeakPolarHBondContact O-CD1 3.41Å; F91-F117 AromaticContact CD1-CD1 3.92Å; F91-F117 HydrophobicContact CD1-CD1 3.92Å; F91-F117 AromaticContact CD1-CE1 3.61Å; F91-F117 HydrophobicContact CD1-CE1 3.61Å; F91-F117 HydrophobicContact CD1-CZ 4.16Å; F91-F117 HydrophobicContact CE1-CD1 4.02Å; F91-F117 AromaticContact CE1-CE1 3.22Å; F91-F117 HydrophobicContact CE1-CE1 3.22Å; F91-F117 AromaticContact CE1-CZ 3.56Å; F91-F117 HydrophobicContact CE1-CZ 3.56Å; F91-F117 HydrophobicContact CZ-CE1 4.07Å; F91-F117 HydrophobicContact CZ-CZ 4.5Å; Y115-F117 AromaticContact CD2-CD2 3.68Å; Y115-F117 HydrophobicContact CD2-CD2 3.68Å; Y115-F117 AromaticContact CD2-CE2 3.25Å; Y115-F117 HydrophobicContact CD2-CE2 3.25Å; Y115-F117 AromaticContact CD2-CZ 3.86Å; Y115-F117 HydrophobicContact CD2-CZ 3.86Å; Y115-F117 AromaticContact CE2-CD2 3.89Å; Y115-F117 HydrophobicContact CE2-CD2 3.89Å; Y115-F117 AromaticContact CE2-CE2 3.22Å; Y115-F117 HydrophobicContact CE2-CE2 3.22Å; Y115-F117 HydrophobicContact CE2-CZ 4.02Å; Y115-F117 HydrophobicContact CG-CE2 4.44Å; F117-S119 VanDerWaalsContact C-N 3.27Å; F117-S119 PolarHBondContact O-N 3.02Å; F117-H122 HydrophobicContact CB-CB 4.24Å; F117-H122 HydrophobicContact CD1-CB 3.86Å; F117-H122 HydrophobicContact CG-CB 4.29Å; F117-A123 HydrophobicContact CB-CB 4Å; F117-A123 HydrophobicContact CD2-CB 3.58Å; F117-A123 HydrophobicContact CE2-CB 4.37Å; F117-A123 HydrophobicContact CG-CB 4.01Å; F117-A126 HydrophobicContact CE1-CB 3.62Å; F117-A126 HydrophobicContact CE2-CB 3.6Å; F117-A126 HydrophobicContact CZ-CB 3.03Å
118Q84Confident80.3Confident83 Ų8346 Ų4639%0.38826%0.258SS..SBendtrans-65-29176.2-70.6-67.94.400113.2T88 R89 L90T88-Q118 WeakPolarHBondContact O-CG 3.49Å; T88-Q118 PolarHBondContact O-NE2 3.45Å; R89-Q118 WeakPolarHBondContact O-CG 3.3Å; L90-Q118 PolarHBondContact O-N 2.67Å
119S80.7Confident80.2Confident35 Ų3545.7 Ų45.725%0.24525%0.253CS..SBendtrans-149.2159.5177.579.50000112.9F117 L121 H122 A123F117-S119 VanDerWaalsContact C-N 3.27Å; F117-S119 PolarHBondContact O-N 3.02Å; S119-L121 PolarHBondContact O-N 2.67Å; S119-H122 PolarHBondContact O-N 2.82Å; S119-H122 PolarHBondContact OG-N 2.77Å; S119-H122 PolarHBondContact OG-ND1 3.2Å; S119-A123 PolarHBondContact O-N 2.97Å; S119-A123 VanDerWaalsContact O-N 3.11Å
120P78.8Confident79.6Confident99 Ų9946.9 Ų46.964%0.64326%0.258SS*.Hα-helixtrans-57.8-32.5176-25.835.2000113.8I6 A123 A124I6-P120 HydrophobicContact CG2-CG 4.28Å; P120-A123 WeakPolarHBondContact O-CB 3.21Å; P120-A123 PolarHBondContact O-N 2.85Å; P120-A124 WeakPolarHBondContact O-CB 3.32Å; P120-A124 PolarHBondContact O-N 2.97Å
121L79.9Confident78.9Confident120 Ų12048.4 Ų48.463%0.62827%0.268SS*.Hα-helixtrans-65.7-46177.2-179.863.3000111.6S119 A123 A124 I125S119-L121 PolarHBondContact O-N 2.67Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 2.96Å; L121-A124 PolarHBondContact O-N 3.06Å; L121-I125 HydrophobicContact CD1-CD1 4.39Å; L121-I125 HydrophobicContact CG-CD1 4.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 3.09Å
122H75.2Confident78.4Confident61 Ų6152.9 Ų52.928%0.28229%0.289SS..Hα-helixtrans-60.9-40.3175.1-67.5107000111.2L90 F117 S119 A124 I125 A126L90-H122 VanDerWaalsContact CD2-CD2 3.48Å; L90-H122 WeakPolarHBondContact CD2-CD2 3.37Å; F117-H122 HydrophobicContact CB-CB 4.24Å; F117-H122 HydrophobicContact CD1-CB 3.86Å; F117-H122 HydrophobicContact CG-CB 4.29Å; S119-H122 PolarHBondContact O-N 2.82Å; S119-H122 PolarHBondContact OG-N 2.77Å; S119-H122 PolarHBondContact OG-ND1 3.2Å; H122-A124 VanDerWaalsContact C-N 3.35Å; H122-A124 PolarHBondContact O-N 3.14Å; H122-I125 PolarHBondContact O-N 2.84Å; H122-A126 VanDerWaalsContact O-CB 3.31Å; H122-A126 WeakPolarHBondContact O-CB 3.44Å; H122-A126 PolarHBondContact O-N 2.86Å
123A75.2Confident77.8Confident8 Ų853.7 Ų53.77%0.06630%0.295CS..Hα-helixtrans-61-42.7175.300000112.5I6 F8 F117 S119 P120 L121 S127I6-A123 HydrophobicContact CG2-CB 4.31Å; F8-A123 HydrophobicContact CE2-CB 4.05Å; F8-A123 HydrophobicContact CZ-CB 4.47Å; F117-A123 HydrophobicContact CB-CB 4Å; F117-A123 HydrophobicContact CD2-CB 3.58Å; F117-A123 HydrophobicContact CE2-CB 4.37Å; F117-A123 HydrophobicContact CG-CB 4.01Å; S119-A123 PolarHBondContact O-N 2.97Å; S119-A123 VanDerWaalsContact O-N 3.11Å; P120-A123 WeakPolarHBondContact O-CB 3.21Å; P120-A123 PolarHBondContact O-N 2.85Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 2.96Å; A123-S127 VanDerWaalsContact O-CB 3.3Å; A123-S127 WeakPolarHBondContact O-CB 3.22Å; A123-S127 PolarHBondContact O-N 3.31Å; A123-S127 PolarHBondContact O-OG 2.78Å
124A77.2Confident77.1Confident50 Ų5053.2 Ų53.241%0.41329%0.292SS..Hα-helixtrans-65.9-41.5178.100000112.5P120 L121 H122 S127 L128P120-A124 WeakPolarHBondContact O-CB 3.32Å; P120-A124 PolarHBondContact O-N 2.97Å; L121-A124 PolarHBondContact O-N 3.06Å; H122-A124 VanDerWaalsContact C-N 3.35Å; H122-A124 PolarHBondContact O-N 3.14Å; A124-S127 PolarHBondContact O-OG 3.36Å; A124-L128 WeakPolarHBondContact O-CG 3.09Å
125I74.6Confident76.6Confident74 Ų7457 Ų5738%0.37931%0.307SS..Hα-helixtrans-66.9-46.2177.3-66.7171.1000110.3L121 H122 S127 L128 F129L121-I125 HydrophobicContact CD1-CD1 4.39Å; L121-I125 HydrophobicContact CG-CD1 4.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 3.09Å; H122-I125 PolarHBondContact O-N 2.84Å; I125-S127 PolarHBondContact O-N 2.9Å; I125-L128 WeakPolarHBondContact O-CB 3.22Å; I125-L128 PolarHBondContact O-N 2.8Å; I125-F129 HydrophobicContact CG2-CE2 4.36Å; I125-F129 VanDerWaalsContact O-CD2 3.27Å; I125-F129 WeakPolarHBondContact O-CD2 3.38Å
126A72.3Confident76.6Confident21 Ų2160.9 Ų60.917%0.17432%0.324CS..Hα-helixtrans-68.2-35-17700000112.7F117 H122 L128 F129 F130F117-A126 HydrophobicContact CE1-CB 3.62Å; F117-A126 HydrophobicContact CE2-CB 3.6Å; F117-A126 HydrophobicContact CZ-CB 3.03Å; H122-A126 VanDerWaalsContact O-CB 3.31Å; H122-A126 WeakPolarHBondContact O-CB 3.44Å; H122-A126 PolarHBondContact O-N 2.86Å; A126-L128 PolarHBondContact O-N 2.69Å; A126-F129 PolarHBondContact O-N 2.86Å; A126-F130 WeakPolarHBondContact O-CB 3.42Å; A126-F130 PolarHBondContact O-N 3.23Å
127S72.5Confident76.6Confident57 Ų5761.8 Ų61.840%0.39933%0.328SS..Hα-helixtrans-62-28.4179.267.60000112.9A123 A124 I125 F129A123-S127 VanDerWaalsContact O-CB 3.3Å; A123-S127 WeakPolarHBondContact O-CB 3.22Å; A123-S127 PolarHBondContact O-N 3.31Å; A123-S127 PolarHBondContact O-OG 2.78Å; A124-S127 PolarHBondContact O-OG 3.36Å; I125-S127 PolarHBondContact O-N 2.9Å; S127-F129 PolarHBondContact O-N 3.11Å
128L73.3Confident76.7Confident136 Ų13662.9 Ų62.971%0.71233%0.334SS*.Hα-helixtrans-61.1-28.8174.9-64.7171.1000112.9A124 I125 A126A124-L128 WeakPolarHBondContact O-CG 3.09Å; I125-L128 WeakPolarHBondContact O-CB 3.22Å; I125-L128 PolarHBondContact O-N 2.8Å; A126-L128 PolarHBondContact O-N 2.69Å
129F71Confident76.9Confident85 Ų8563.1 Ų63.137%0.37334%0.341SS..Hα-helixtrans-109.5-20.3-176.7-53.6-75.4000112.8F62 I125 A126 S127 D131 E132 V133F62-F129 HydrophobicContact CD1-CB 4.23Å; I125-F129 HydrophobicContact CG2-CE2 4.36Å; I125-F129 VanDerWaalsContact O-CD2 3.27Å; I125-F129 WeakPolarHBondContact O-CD2 3.38Å; A126-F129 PolarHBondContact O-N 2.86Å; S127-F129 PolarHBondContact O-N 3.11Å; F129-D131 PolarHBondContact O-N 2.87Å; F129-E132 WeakPolarHBondContact O-CB 3.33Å; F129-E132 PolarHBondContact O-N 2.8Å; F129-V133 VanDerWaalsContact O-CG2 3.29Å; F129-V133 WeakPolarHBondContact O-CG2 3.41Å; F129-V133 PolarHBondContact O-N 3.32Å
130F69.6Low77.5Confident26 Ų2662 Ų6211%0.11433%0.334CS..Hα-helixtrans-64.1-38.2-165.2-144-82.8000114.5V113 Y115 A126 E132 V133 T134V113-F130 HydrophobicContact CG1-CZ 4.15Å; Y115-F130 AromaticContact CD1-CE1 3.99Å; Y115-F130 HydrophobicContact CD1-CE1 3.99Å; Y115-F130 AromaticContact CD1-CE2 3.92Å; Y115-F130 HydrophobicContact CD1-CE2 3.92Å; Y115-F130 AromaticContact CD1-CZ 3.45Å; Y115-F130 HydrophobicContact CD1-CZ 3.45Å; Y115-F130 VanDerWaalsContact CD1-CZ 3.45Å; Y115-F130 AromaticContact CE1-CD1 3.8Å; Y115-F130 HydrophobicContact CE1-CD1 3.8Å; Y115-F130 HydrophobicContact CE1-CD2 4.13Å; Y115-F130 AromaticContact CE1-CE1 3.23Å; Y115-F130 HydrophobicContact CE1-CE1 3.23Å; Y115-F130 AromaticContact CE1-CE2 3.59Å; Y115-F130 HydrophobicContact CE1-CE2 3.59Å; Y115-F130 HydrophobicContact CE1-CG 4.22Å; Y115-F130 AromaticContact CE1-CZ 3.11Å; Y115-F130 HydrophobicContact CE1-CZ 3.11Å; Y115-F130 HydrophobicContact CE2-CD2 4.42Å; Y115-F130 HydrophobicContact CE2-CE2 4.26Å; Y115-F130 HydrophobicContact CG-CE2 4.38Å; Y115-F130 HydrophobicContact CG-CZ 4.31Å; Y115-F130 AromaticContact CZ-CD1 3.93Å; Y115-F130 AromaticContact CZ-CD2 3.86Å; Y115-F130 AromaticContact CZ-CE1 3.83Å; Y115-F130 AromaticContact CZ-CE2 3.74Å; Y115-F130 AromaticContact CZ-CG 3.96Å; Y115-F130 AromaticContact CZ-CZ 3.73Å; A126-F130 WeakPolarHBondContact O-CB 3.42Å; A126-F130 PolarHBondContact O-N 3.23Å; F130-E132 VanDerWaalsContact C-N 3.34Å; F130-E132 PolarHBondContact O-N 3.21Å; F130-V133 WeakPolarHBondContact O-CB 3.33Å; F130-V133 PolarHBondContact O-N 3.19Å; F130-V133 VanDerWaalsContact O-N 3.11Å; F130-T134 VanDerWaalsContact CD1-OG1 3.25Å; F130-T134 WeakPolarHBondContact CD1-OG1 3.36Å; F130-T134 WeakPolarHBondContact CE1-OG1 3.3Å; F130-T134 PolarHBondContact O-N 3.49Å; F130-T134 PolarHBondContact O-OG1 3.12Å
131D69.5Low78.2Confident67 Ų6757.3 Ų57.336%0.35830%0.303SS..Hα-helixtrans-65-40.4-179.7-91.6-3.2000111.7M1 F129 V133 K135M1-D131 WeakPolarHBondContact CE-OD1 3.4Å; F129-D131 PolarHBondContact O-N 2.87Å; D131-V133 VanDerWaalsContact C-N 3.34Å; D131-K135 VanDerWaalsContact O-CG 3.29Å; D131-K135 WeakPolarHBondContact O-CG 3.29Å; D131-K135 PolarHBondContact O-N 2.91Å
132E75.3Confident78.7Confident97 Ų9752.9 Ų52.945%0.45328%0.282SS..Hα-helixtrans-62.7-43.8170.5-90.6-77.1120.800110.6W39 F129 F130 T134 K136W39-E132 WeakPolarHBondContact CH2-O 3.41Å; F129-E132 WeakPolarHBondContact O-CB 3.33Å; F129-E132 PolarHBondContact O-N 2.8Å; F130-E132 VanDerWaalsContact C-N 3.34Å; F130-E132 PolarHBondContact O-N 3.21Å; E132-T134 PolarHBondContact O-N 2.82Å; E132-K136 WeakPolarHBondContact O-CG 3.29Å; E132-K136 PolarHBondContact O-N 3.36Å; E132-K136 VanDerWaalsContact O-N 3.11Å; E132-K136 WeakPolarHBondContact OE2-CE 3.38Å; E132-K136 IonicContact OE2-NZ 2.66Å; E132-K136 PolarHBondContact OE2-NZ 2.82Å
133V76.1Confident79.6Confident23 Ų2354.7 Ų54.714%0.13929%0.29CS..Hα-helixtrans-53.9-54.8-178.9172.90000112W39 F62 F129 F130 D131 K136 M137W39-V133 HydrophobicContact CD2-CG2 4.11Å; W39-V133 HydrophobicContact CE3-CB 4.21Å; W39-V133 HydrophobicContact CE3-CG1 4Å; W39-V133 HydrophobicContact CE3-CG2 3.81Å; W39-V133 HydrophobicContact CH2-CB 4.26Å; W39-V133 HydrophobicContact CH2-CG2 4.07Å; W39-V133 HydrophobicContact CZ2-CG2 4.28Å; W39-V133 HydrophobicContact CZ3-CB 3.92Å; W39-V133 HydrophobicContact CZ3-CG1 3.95Å; W39-V133 HydrophobicContact CZ3-CG2 3.88Å; W39-V133 WeakPolarHBondContact CZ3-O 3.47Å; F62-V133 HydrophobicContact CD1-CG2 4.34Å; F62-V133 HydrophobicContact CE1-CG2 3.19Å; F62-V133 HydrophobicContact CZ-CG1 4.35Å; F62-V133 HydrophobicContact CZ-CG2 3.34Å; F129-V133 VanDerWaalsContact O-CG2 3.29Å; F129-V133 WeakPolarHBondContact O-CG2 3.41Å; F129-V133 PolarHBondContact O-N 3.32Å; F130-V133 WeakPolarHBondContact O-CB 3.33Å; F130-V133 PolarHBondContact O-N 3.19Å; F130-V133 VanDerWaalsContact O-N 3.11Å; D131-V133 VanDerWaalsContact C-N 3.34Å; V133-K136 PolarHBondContact O-N 2.97Å; V133-M137 PolarHBondContact O-N 2.83Å; V133-M137 VanDerWaalsContact O-N 3.11Å
134T72Confident80.6Confident2 Ų255.5 Ų55.51%0.01229%0.291CS..Hα-helixtrans-77.2-31.4-167.9-21.70000112.2Y12 F111 V113 F130 E132 M137Y12-T134 HydrophobicContact CD2-CG2 3.62Å; Y12-T134 HydrophobicContact CE1-CG2 4.44Å; Y12-T134 HydrophobicContact CE2-CG2 3.04Å; Y12-T134 VanDerWaalsContact OH-CB 3.28Å; Y12-T134 WeakPolarHBondContact OH-CB 3.29Å; Y12-T134 PolarHBondContact OH-OG1 3.25Å; F111-T134 HydrophobicContact CE1-CG2 4.18Å; V113-T134 HydrophobicContact CG2-CG2 4.44Å; F130-T134 VanDerWaalsContact CD1-OG1 3.25Å; F130-T134 WeakPolarHBondContact CD1-OG1 3.36Å; F130-T134 WeakPolarHBondContact CE1-OG1 3.3Å; F130-T134 PolarHBondContact O-N 3.49Å; F130-T134 PolarHBondContact O-OG1 3.12Å; E132-T134 PolarHBondContact O-N 2.82Å; T134-M137 PolarHBondContact O-N 3.29Å
135K75.9Confident81.5Confident130 Ų13053.1 Ų53.157%0.56527%0.272SS*.Hα-helixtrans-62.9-46171.9-73.8174.8-174.3171.60111.9D131 M137D131-K135 VanDerWaalsContact O-CG 3.29Å; D131-K135 WeakPolarHBondContact O-CG 3.29Å; D131-K135 PolarHBondContact O-N 2.91Å; K135-M137 VanDerWaalsContact C-N 3.26Å; K135-M137 PolarHBondContact O-N 3.47Å
136K86.3Confident82.4Confident89 Ų8954.5 Ų54.539%0.38728%0.275SS..Hα-helixtrans-72.2-21.4-179.5-64.6-175169.1153.20112.8P38 W39 E132 V133 V139 A140P38-K136 HydrophobicContact CG-CB 3.9Å; W39-K136 HydrophobicContact CH2-CB 3.61Å; W39-K136 HydrophobicContact CH2-CD 3.5Å; W39-K136 VanDerWaalsContact CH2-CD 3.5Å; W39-K136 HydrophobicContact CH2-CG 3.9Å; W39-K136 HydrophobicContact CZ2-CD 3.79Å; W39-K136 HydrophobicContact CZ3-CB 3.99Å; E132-K136 WeakPolarHBondContact O-CG 3.29Å; E132-K136 PolarHBondContact O-N 3.36Å; E132-K136 VanDerWaalsContact O-N 3.11Å; E132-K136 WeakPolarHBondContact OE2-CE 3.38Å; E132-K136 IonicContact OE2-NZ 2.66Å; E132-K136 PolarHBondContact OE2-NZ 2.82Å; V133-K136 PolarHBondContact O-N 2.97Å; K136-V139 PolarHBondContact O-N 3.35Å; K136-A140 VanDerWaalsContact O-CB 3.28Å; K136-A140 WeakPolarHBondContact O-CB 3.26Å; K136-A140 PolarHBondContact O-N 2.81Å
137M86Confident83.5Confident31 Ų3161.7 Ų61.715%0.15330%0.302CS..Hα-helixtrans-63.5-50.2177.6-161.2156.6-17300112.1V37 F111 V133 T134 K135 V139 A140 F141V37-M137 HydrophobicContact CG1-CE 4.22Å; F111-M137 HydrophobicContact CE1-CE 4.33Å; F111-M137 HydrophobicContact CE1-CG 4.09Å; F111-M137 HydrophobicContact CE1-SD 3.54Å; F111-M137 VanDerWaalsContact CE1-SD 3.54Å; F111-M137 HydrophobicContact CZ-CE 3.84Å; F111-M137 HydrophobicContact CZ-SD 3.6Å; V133-M137 PolarHBondContact O-N 2.83Å; V133-M137 VanDerWaalsContact O-N 3.11Å; T134-M137 PolarHBondContact O-N 3.29Å; K135-M137 VanDerWaalsContact C-N 3.26Å; K135-M137 PolarHBondContact O-N 3.47Å; M137-V139 VanDerWaalsContact C-N 3.29Å; M137-V139 PolarHBondContact O-N 3.23Å; M137-A140 PolarHBondContact O-N 2.8Å; M137-F141 HydrophobicContact CE-CE2 3.97Å; M137-F141 HydrophobicContact CE-CZ 4.36Å; M137-F141 HydrophobicContact CG-CD2 4.24Å; M137-F141 HydrophobicContact CG-CE2 3.97Å; M137-F141 WeakPolarHBondContact O-CD2 3.44Å; M137-F141 PolarHBondContact O-N 2.98Å; M137-F141 VanDerWaalsContact O-N 3.14Å
138I84.5Confident84.7Confident27 Ų2763.1 Ų63.114%0.13831%0.305CS..Hα-helixtrans-59.1-42.4177.1-65.5-69.8000111.6Y14 W98 F111 F141 T142Y14-I138 HydrophobicContact CD1-CD1 3.73Å; Y14-I138 HydrophobicContact CE1-CD1 4.46Å; Y14-I138 HydrophobicContact CG-CD1 4.16Å; Y14-I138 HydrophobicContact CG-CG2 4.42Å; W98-I138 HydrophobicContact CH2-CD1 4.26Å; W98-I138 HydrophobicContact CZ3-CD1 4.46Å; F111-I138 HydrophobicContact CB-CD1 3.78Å; F111-I138 HydrophobicContact CD1-CD1 4.43Å; I138-F141 PolarHBondContact O-N 2.77Å; I138-T142 PolarHBondContact O-N 3.06Å; I138-T142 PolarHBondContact O-OG1 2.83Å
139V89.6Confident85.7Confident87 Ų8760.5 Ų60.553%0.52729%0.286SS..Hα-helixtrans-61.8-47.9178.5175.20000110.5K136 M137 F141 T142 E143K136-V139 PolarHBondContact O-N 3.35Å; M137-V139 VanDerWaalsContact C-N 3.29Å; M137-V139 PolarHBondContact O-N 3.23Å; V139-F141 VanDerWaalsContact C-N 3.3Å; V139-F141 PolarHBondContact O-N 3.17Å; V139-T142 PolarHBondContact O-N 2.98Å; V139-T142 VanDerWaalsContact O-N 3.12Å; V139-E143 HydrophobicContact CG1-CG 4.31Å; V139-E143 PolarHBondContact O-N 3.08Å
140A93.8Very high86.7Confident11 Ų1157.7 Ų57.79%0.09128%0.282CS..Hα-helixtrans-58.3-40.5179.900000112.8F36 P38 K136 M137 R144F36-A140 HydrophobicContact CD2-CB 4.22Å; F36-A140 WeakPolarHBondContact CD2-O 3.06Å; F36-A140 WeakPolarHBondContact O-CB 3.27Å; P38-A140 HydrophobicContact CG-CB 4.27Å; K136-A140 VanDerWaalsContact O-CB 3.28Å; K136-A140 WeakPolarHBondContact O-CB 3.26Å; K136-A140 PolarHBondContact O-N 2.81Å; M137-A140 PolarHBondContact O-N 2.8Å; A140-R144 WeakPolarHBondContact O-CB 3.3Å; A140-R144 PolarHBondContact O-N 2.92Å
141F92.9Very high87.6Confident1 Ų161.2 Ų61.20%0.00431%0.307CS..Hα-helixtrans-69.1-39.1177-84.1-109.7000112.4M23 I26 A27 Y33 F36 V37 W98 M137 I138 V139 R144 A145M23-F141 HydrophobicContact CE-CB 4.22Å; I26-F141 HydrophobicContact CB-CD1 4.5Å; I26-F141 HydrophobicContact CG2-CD1 3.64Å; I26-F141 HydrophobicContact CG2-CE1 3.97Å; I26-F141 HydrophobicContact CG2-CG 4.44Å; A27-F141 HydrophobicContact CB-CE1 4.08Å; Y33-F141 HydrophobicContact CE1-CE1 4.14Å; Y33-F141 AromaticContact CE1-CZ 3.76Å; Y33-F141 HydrophobicContact CE1-CZ 3.76Å; Y33-F141 HydrophobicContact CE2-CZ 4.07Å; Y33-F141 AromaticContact CZ-CZ 3.5Å; Y33-F141 WeakPolarHBondContact OH-CZ 3.48Å; F36-F141 HydrophobicContact CE2-CD1 4.29Å; F36-F141 AromaticContact CE2-CD2 3.7Å; F36-F141 HydrophobicContact CE2-CD2 3.7Å; F36-F141 HydrophobicContact CE2-CE1 4.33Å; F36-F141 AromaticContact CE2-CE2 3.79Å; F36-F141 HydrophobicContact CE2-CE2 3.79Å; F36-F141 AromaticContact CE2-CG 3.99Å; F36-F141 HydrophobicContact CE2-CG 3.99Å; F36-F141 HydrophobicContact CE2-CZ 4.1Å; F36-F141 HydrophobicContact CZ-CD2 4.47Å; F36-F141 HydrophobicContact CZ-CE1 4.24Å; F36-F141 HydrophobicContact CZ-CE2 4.22Å; F36-F141 HydrophobicContact CZ-CZ 4.09Å; V37-F141 HydrophobicContact CG2-CD2 4.49Å; V37-F141 HydrophobicContact CG2-CE2 3.67Å; V37-F141 HydrophobicContact CG2-CZ 4.22Å; W98-F141 AromaticContact CE2-CE1 3.87Å; W98-F141 HydrophobicContact CH2-CB 3.91Å; W98-F141 AromaticContact CH2-CD1 3.53Å; W98-F141 HydrophobicContact CH2-CD1 3.53Å; W98-F141 AromaticContact CH2-CD2 3.9Å; W98-F141 HydrophobicContact CH2-CD2 3.9Å; W98-F141 AromaticContact CH2-CE1 3.96Å; W98-F141 HydrophobicContact CH2-CE1 3.96Å; W98-F141 HydrophobicContact CH2-CE2 4.28Å; W98-F141 AromaticContact CH2-CG 3.48Å; W98-F141 HydrophobicContact CH2-CG 3.48Å; W98-F141 VanDerWaalsContact CH2-CG 3.48Å; W98-F141 HydrophobicContact CH2-CZ 4.31Å; W98-F141 AromaticContact CZ2-CD1 3.57Å; W98-F141 HydrophobicContact CZ2-CD1 3.57Å; W98-F141 AromaticContact CZ2-CD2 3.77Å; W98-F141 HydrophobicContact CZ2-CD2 3.77Å; W98-F141 AromaticContact CZ2-CE1 3.48Å; W98-F141 HydrophobicContact CZ2-CE1 3.48Å; W98-F141 VanDerWaalsContact CZ2-CE1 3.48Å; W98-F141 AromaticContact CZ2-CE2 3.67Å; W98-F141 HydrophobicContact CZ2-CE2 3.67Å; W98-F141 AromaticContact CZ2-CG 3.71Å; W98-F141 HydrophobicContact CZ2-CG 3.71Å; W98-F141 AromaticContact CZ2-CZ 3.53Å; W98-F141 HydrophobicContact CZ2-CZ 3.53Å; W98-F141 HydrophobicContact CZ3-CD1 4.2Å; W98-F141 HydrophobicContact CZ3-CG 4.42Å; M137-F141 HydrophobicContact CE-CE2 3.97Å; M137-F141 HydrophobicContact CE-CZ 4.36Å; M137-F141 HydrophobicContact CG-CD2 4.24Å; M137-F141 HydrophobicContact CG-CE2 3.97Å; M137-F141 WeakPolarHBondContact O-CD2 3.44Å; M137-F141 PolarHBondContact O-N 2.98Å; M137-F141 VanDerWaalsContact O-N 3.14Å; I138-F141 PolarHBondContact O-N 2.77Å; V139-F141 VanDerWaalsContact C-N 3.3Å; V139-F141 PolarHBondContact O-N 3.17Å; F141-R144 PolarHBondContact O-N 3.35Å; F141-A145 PolarHBondContact O-N 2.92Å
142T90.7Very high88.1Confident28 Ų2860.8 Ų60.817%0.17231%0.308CS..Hα-helixtrans-65.6-42.9176.2-53.90000111.1K17 I138 V139 A145 K146K17-T142 HydrophobicContact CD-CG2 4.29Å; I138-T142 PolarHBondContact O-N 3.06Å; I138-T142 PolarHBondContact O-OG1 2.83Å; V139-T142 PolarHBondContact O-N 2.98Å; V139-T142 VanDerWaalsContact O-N 3.12Å; T142-A145 WeakPolarHBondContact O-CB 3.47Å; T142-A145 PolarHBondContact O-N 3.05Å; T142-K146 PolarHBondContact O-N 2.87Å
143E94.1Very high87.7Confident98 Ų9860.2 Ų60.246%0.45831%0.314SS..Hα-helixtrans-67.4-36175.5-70.8-54.1129.700112.1V139 A145 K146 K147V139-E143 HydrophobicContact CG1-CG 4.31Å; V139-E143 PolarHBondContact O-N 3.08Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 2.76Å; E143-K146 WeakPolarHBondContact O-CB 3.35Å; E143-K146 PolarHBondContact O-N 2.87Å; E143-K147 PolarHBondContact O-N 3.36Å
144R96.3Very high87Confident25 Ų2566.1 Ų66.19%0.09434%0.344CS..Hα-helixtrans-62.2-42.1172.3-175.360.1178.2-155.60.7111.4I26 E35 F36 A140 F141 K146 K147 L148I26-R144 HydrophobicContact CD1-CG 4.43Å; I26-R144 HydrophobicContact CG1-CG 4.48Å; I26-R144 HydrophobicContact CG2-CB 4.27Å; I26-R144 HydrophobicContact CG2-CG 3.88Å; E35-R144 IonicContact OE2-CZ 3.82Å; E35-R144 VanDerWaalsContact OE2-CZ 3.27Å; E35-R144 IonicContact OE2-NH1 2.87Å; E35-R144 PolarHBondContact OE2-NH1 3.18Å; E35-R144 IonicContact OE2-NH2 3.99Å; E35-R144 PolarHBondContact OE2-NH2 2.72Å; F36-R144 HydrophobicContact CD1-CB 4.49Å; F36-R144 HydrophobicContact CD1-CG 4Å; F36-R144 HydrophobicContact CD2-CB 3.62Å; F36-R144 HydrophobicContact CD2-CG 4.01Å; F36-R144 HydrophobicContact CE1-CG 4.07Å; F36-R144 HydrophobicContact CE2-CB 3.86Å; F36-R144 HydrophobicContact CE2-CG 4.07Å; F36-R144 HydrophobicContact CG-CB 3.97Å; F36-R144 HydrophobicContact CG-CG 3.97Å; F36-R144 HydrophobicContact CZ-CB 4.4Å; F36-R144 HydrophobicContact CZ-CG 4.11Å; A140-R144 WeakPolarHBondContact O-CB 3.3Å; A140-R144 PolarHBondContact O-N 2.92Å; F141-R144 PolarHBondContact O-N 3.35Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K147 PolarHBondContact O-N 2.79Å; R144-L148 HydrophobicContact CG-CD1 4.13Å; R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 3.01Å
145A94.5Very high86.2Confident0 Ų068.5 Ų68.50%036%0.358CS..Hα-helixtrans-61.3-43.2174.300000111.7Y18 M23 I26 F141 T142 E143 K147 L148 Y149Y18-A145 HydrophobicContact CD1-CB 4.35Å; Y18-A145 HydrophobicContact CD2-CB 3.58Å; Y18-A145 HydrophobicContact CE1-CB 4.29Å; Y18-A145 HydrophobicContact CE2-CB 3.52Å; Y18-A145 HydrophobicContact CG-CB 4.02Å; M23-A145 HydrophobicContact SD-CB 3.69Å; I26-A145 VanDerWaalsContact CD1-CA 3.44Å; I26-A145 HydrophobicContact CD1-CB 3.5Å; I26-A145 VanDerWaalsContact CD1-CB 3.5Å; F141-A145 PolarHBondContact O-N 2.92Å; T142-A145 WeakPolarHBondContact O-CB 3.47Å; T142-A145 PolarHBondContact O-N 3.05Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 2.76Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 2.69Å; A145-L148 PolarHBondContact O-N 3.43Å; A145-Y149 HydrophobicContact CB-CD2 4.23Å; A145-Y149 WeakPolarHBondContact O-CB 3.47Å; A145-Y149 WeakPolarHBondContact O-CD2 3.25Å; A145-Y149 PolarHBondContact O-N 3.49Å
146K94.5Very high84.6Confident104 Ų10470.8 Ų70.845%0.45238%0.383SS..Hα-helixtrans-59.2-43.9175.2-170.2-176.3177.8-174.50112.7Y18 T142 E143 R144 L148 G150Y18-K146 WeakPolarHBondContact OH-CA 3.43Å; Y18-K146 WeakPolarHBondContact OH-CB 3.19Å; Y18-K146 PolarHBondContact OH-N 2.86Å; T142-K146 PolarHBondContact O-N 2.87Å; E143-K146 WeakPolarHBondContact O-CB 3.35Å; E143-K146 PolarHBondContact O-N 2.87Å; R144-K146 VanDerWaalsContact C-N 3.33Å; K146-L148 PolarHBondContact O-N 2.79Å; K146-G150 WeakPolarHBondContact CA-O 3.3Å; K146-G150 CarbonylContact O-C 3.49Å; K146-G150 VanDerWaalsContact O-CA 3.27Å; K146-G150 WeakPolarHBondContact O-CA 3.4Å; K146-G150 PolarHBondContact O-N 2.66Å
147K96.1Very high84.5Confident172 Ų17269.9 Ų69.975%0.74838%0.383SS*.Hα-helixtrans-65.8-36.4178.7-170.4174.2-178176.20112.9E143 R144 A145E143-K147 PolarHBondContact O-N 3.36Å; R144-K147 PolarHBondContact O-N 2.79Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 2.69Å
148L96.1Very high84.5Confident87 Ų8771.9 Ų71.946%0.45540%0.395SS..Hα-helixtrans-86.6-31.4-177.2-68177.5000113.7I26 R144 A145 K146I26-L148 HydrophobicContact CG1-CD1 4.13Å; R144-L148 HydrophobicContact CG-CD1 4.13Å; R144-L148 WeakPolarHBondContact O-CG 3.47Å; R144-L148 PolarHBondContact O-N 3.01Å; A145-L148 PolarHBondContact O-N 3.43Å; K146-L148 PolarHBondContact O-N 2.79Å
149Y94.6Very high84.5Confident80 Ų8074.4 Ų74.431%0.31441%0.409SS..Hα-helixtrans-125.90.7-166.4-53.5-54.8000114.3K22 I26 A145K22-Y149 HydrophobicContact CB-CD2 3.9Å; K22-Y149 HydrophobicContact CB-CE2 3.54Å; K22-Y149 HydrophobicContact CD-CD1 3.9Å; K22-Y149 HydrophobicContact CD-CD2 3.71Å; K22-Y149 HydrophobicContact CD-CE1 4.26Å; K22-Y149 HydrophobicContact CD-CE2 4.06Å; K22-Y149 HydrophobicContact CD-CG 3.61Å; K22-Y149 HydrophobicContact CG-CD1 4.43Å; K22-Y149 HydrophobicContact CG-CD2 4.13Å; K22-Y149 HydrophobicContact CG-CE1 4.28Å; K22-Y149 HydrophobicContact CG-CE2 3.96Å; K22-Y149 HydrophobicContact CG-CG 4.36Å; I26-Y149 HydrophobicContact CD1-CD2 4.42Å; I26-Y149 HydrophobicContact CD1-CE2 3.81Å; I26-Y149 HydrophobicContact CG1-CE2 4.16Å; A145-Y149 HydrophobicContact CB-CD2 4.23Å; A145-Y149 WeakPolarHBondContact O-CB 3.47Å; A145-Y149 WeakPolarHBondContact O-CD2 3.25Å; A145-Y149 PolarHBondContact O-N 3.49Å
150G93.3Very high84.2Confident27 Ų2773.6 Ų73.628%0.27840%0.402SS..  trans82.2-173.4-176.500000113.4Y18 K146Y18-G150 WeakPolarHBondContact CE1-O 3.48Å; Y18-G150 PolarHBondContact OH-O 3.04Å; K146-G150 WeakPolarHBondContact CA-O 3.3Å; K146-G150 CarbonylContact O-C 3.49Å; K146-G150 VanDerWaalsContact O-CA 3.27Å; K146-G150 WeakPolarHBondContact O-CA 3.4Å; K146-G150 PolarHBondContact O-N 2.66Å
151P87.7Confident83.6Confident99 Ų9977.6 Ų77.664%0.64342%0.422SS*.SBendtrans-59.6153.5-179.725.6-33.1000111.4S153P151-S153 PolarHBondContact O-N 3.12Å
152P80.4Confident82.9Confident58 Ų5882.7 Ų82.738%0.37745%0.45SS..PPolyproline II helixtrans-53.6118.4175.8-24.533.8000110.5K17 Y18K17-P152 HydrophobicContact CB-CB 4.01Å; K17-P152 HydrophobicContact CB-CG 4.24Å; K17-P152 HydrophobicContact CD-CG 4.2Å; K17-P152 HydrophobicContact CG-CB 4.48Å; Y18-P152 HydrophobicContact CE2-CG 4.21Å; Y18-P152 WeakPolarHBondContact OH-CD 3.45Å
153S66.7Low82.4Confident85 Ų8586.6 Ų86.659%0.59447%0.47SS*.PPolyproline II helixtrans-78116.6157.9-41.30000104.5P151 V155P151-S153 PolarHBondContact O-N 3.12Å; S153-V155 PolarHBondContact O-N 3.21Å
154I60.2Low81.5Confident148 Ų14885.7 Ų85.776%0.75947%0.47SS*.  trans-52.4112.6172.5-66167.3000106T156I154-T156 VanDerWaalsContact C-N 3.27Å; I154-T156 HydrophobicContact CG2-CG2 4.43Å; I154-T156 PolarHBondContact O-N 3.42Å
155V56Low80.2Confident52 Ų5290.8 Ų90.832%0.31550%0.502SS..  trans-79.491.1174-172.50000104.4P19 F104 S153P19-V155 HydrophobicContact CG-CG2 4.26Å; F104-V155 WeakPolarHBondContact CZ-O 3.02Å; S153-V155 PolarHBondContact O-N 3.21Å
156T42.9Very low79Confident177 Ų17799 Ų99100%1.08655%0.547SS*.  trans-59.90166.334.60000110.9I154I154-T156 VanDerWaalsContact C-N 3.27Å; I154-T156 HydrophobicContact CG2-CG2 4.43Å; I154-T156 PolarHBondContact O-N 3.42Å

Retrieved 156 of 156 residues in 355.5 ms (Link to these results)

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