A0A077ZBD1_TRITR Loading...

Dsrm domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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
1M40.2Very low71.5Confident242 Ų242111.4 Ų111.4100%1.19264%0.637SS**  0117.30-69.1178.1-159.200107.3A3M1-A3 PolarHBondContact O-N 3.47Å
2C43.3Very low72.7Confident130 Ų130103.3 Ų103.388%0.87859%0.59SS**  trans-61.6125.7167.7-76.30000107.6Q4C2-Q4 PolarHBondContact O-N 3.3Å
3A56.8Low72.6Confident96 Ų96107.6 Ų107.679%0.79360%0.599SS**  trans-58.5110.5170.400000107.4M1 L5M1-A3 PolarHBondContact O-N 3.47Å; A3-L5 PolarHBondContact O-N 3.21Å; A3-L5 VanDerWaalsContact O-N 3.08Å
4Q63.2Low72.4Confident107 Ų107106.3 Ų106.350%0.559%0.588SS.*  trans-62114.5172.1-87176.7-28.800107.2C2 I6C2-Q4 PolarHBondContact O-N 3.3Å; Q4-I6 PolarHBondContact O-N 3.27Å
5L76.1Confident72.1Confident142 Ų142100.3 Ų100.374%0.74356%0.557SS**  trans-71.1114.9-177.2-146.7120.7000107.8A3 T7 S72A3-L5 PolarHBondContact O-N 3.21Å; A3-L5 VanDerWaalsContact O-N 3.08Å; L5-T7 HydrophobicContact CD2-CG2 4.39Å; L5-T7 PolarHBondContact O-N 3.32Å; L5-S72 WeakPolarHBondContact O-CB 3.19Å
6I78.6Confident72.6Confident84 Ų8499.2 Ų99.243%0.43155%0.553SS.*  trans-72114.3173.1-63.6171.3000106.9Q4 Q8 V69 S72 A74Q4-I6 PolarHBondContact O-N 3.27Å; I6-Q8 VanDerWaalsContact CG2-O 3.3Å; I6-Q8 WeakPolarHBondContact CG2-O 3.35Å; I6-V69 HydrophobicContact CD1-CG2 4.27Å; I6-S72 CarbonylContact C-O 3.38Å; I6-S72 WeakPolarHBondContact CA-O 3.39Å; I6-A74 HydrophobicContact CD1-CB 4.23Å; I6-A74 HydrophobicContact CG2-CB 3.85Å
7T80.6Confident73Confident100 Ų10099.5 Ų99.561%0.61355%0.547SS*.  trans-95.4-18.8-18057.10000112L5 S72L5-T7 HydrophobicContact CD2-CG2 4.39Å; L5-T7 PolarHBondContact O-N 3.32Å; T7-S72 PolarHBondContact N-O 3.31Å; T7-S72 WeakPolarHBondContact OG1-CB 3.38Å; T7-S72 PolarHBondContact OG1-O 3.46Å; T7-S72 PolarHBondContact OG1-OG 2.74Å
8Q85.6Confident73.3Confident100 Ų100101.6 Ų101.647%0.46755%0.553SS.*EExtended strand (participates in β ladder)trans-140.3134-177.3-170.1174.46.300111.1I6 I10 S72 T73 A74I6-Q8 VanDerWaalsContact CG2-O 3.3Å; I6-Q8 WeakPolarHBondContact CG2-O 3.35Å; Q8-I10 HydrophobicContact CG-CG1 4.09Å; Q8-S72 PolarHBondContact N-O 2.75Å; Q8-T73 HydrophobicContact CB-CG2 4.41Å; Q8-T73 CarbonylContact O-C 3.54Å; Q8-T73 WeakPolarHBondContact O-CA 3.45Å; Q8-A74 PolarHBondContact O-N 3.23Å
9C86.7Confident73.5Confident90 Ų9099.8 Ų99.861%0.60855%0.546SS*.EExtended strand (participates in β ladder)trans-126118.1173.1-172.70000109.5A74C9-A74 CarbonylContact C-O 3.55Å; C9-A74 WeakPolarHBondContact CA-O 3.33Å
10I87.7Confident74Confident41 Ų4195 Ų9521%0.2152%0.519CS..EExtended strand (participates in β ladder)trans-110.4119.5180-51.7-179.9000108.1Q8 T73 A74 L75 R76 F98Q8-I10 HydrophobicContact CG-CG1 4.09Å; I10-T73 HydrophobicContact CD1-CG2 4.4Å; I10-A74 PolarHBondContact N-O 3Å; I10-L75 HydrophobicContact CB-CD2 3.7Å; I10-L75 HydrophobicContact CD1-CD2 3.76Å; I10-L75 HydrophobicContact CG1-CD2 4.02Å; I10-L75 HydrophobicContact CG2-CD2 4.38Å; I10-L75 CarbonylContact O-C 3.58Å; I10-L75 WeakPolarHBondContact O-CA 3.46Å; I10-R76 PolarHBondContact O-N 3.19Å; I10-F98 HydrophobicContact CG2-CZ 4.26Å
11T87.8Confident74.3Confident93 Ų9392.3 Ų92.357%0.57151%0.506SS*.EExtended strand (participates in β ladder)trans-92.3112.5169.1-58.80000108.5
12I85.2Confident76.3Confident14 Ų1487.4 Ų87.47%0.07248%0.478CS..  trans-72.9128.9177.3-57.6164.9000107.1I14 L75 R76 A77 I94 L95 F98I12-I14 PolarHBondContact O-N 3.4Å; I12-L75 HydrophobicContact CD1-CB 4.29Å; I12-R76 WeakPolarHBondContact CB-O 3.32Å; I12-R76 PolarHBondContact N-O 3.32Å; I12-A77 HydrophobicContact CB-CB 4.43Å; I12-A77 HydrophobicContact CD1-CB 4.18Å; I12-I94 HydrophobicContact CB-CG2 4.37Å; I12-I94 HydrophobicContact CG2-CG2 3.54Å; I12-L95 HydrophobicContact CD1-CD1 3.58Å; I12-F98 HydrophobicContact CD1-CB 3.76Å; I12-F98 HydrophobicContact CD1-CD1 3.76Å; I12-F98 HydrophobicContact CD1-CD2 4.35Å; I12-F98 HydrophobicContact CD1-CE1 4.48Å; I12-F98 HydrophobicContact CD1-CG 3.69Å; I12-F98 HydrophobicContact CG1-CB 4.24Å; I12-F98 HydrophobicContact CG1-CD1 4.1Å; I12-F98 HydrophobicContact CG1-CD2 3.98Å; I12-F98 HydrophobicContact CG1-CE1 4.49Å; I12-F98 HydrophobicContact CG1-CE2 4.37Å; I12-F98 HydrophobicContact CG1-CG 3.83Å; I12-F98 HydrophobicContact CG2-CB 4.03Å; I12-F98 HydrophobicContact CG2-CD2 4.05Å; I12-F98 HydrophobicContact CG2-CG 4.22Å
13F71.4Confident78.1Confident160 Ų16082.6 Ų82.670%0.70244%0.443SS*.  trans-36.1126.3-178.5179.8-100.3000112.1P15F13-P15 HydrophobicContact CD1-CB 4.3Å; F13-P15 HydrophobicContact CE1-CB 4.35Å; F13-P15 WeakPolarHBondContact O-CD 3.5Å
14I70.3Confident79.5Confident89 Ų8980.2 Ų80.246%0.45642%0.416SS..  trans-79.7101.9178.4-55.5175.8000107I12 Q78I12-I14 PolarHBondContact O-N 3.4Å; I14-Q78 HydrophobicContact CG1-CB 4.47Å
15P68.6Low80.3Confident17 Ų1780 Ų8011%0.1142%0.415CS..  trans-75.2153.6-17521.3-10.1000110.3F13 T19 I94F13-P15 HydrophobicContact CD1-CB 4.3Å; F13-P15 HydrophobicContact CE1-CB 4.35Å; F13-P15 WeakPolarHBondContact O-CD 3.5Å; P15-T19 HydrophobicContact CB-CG2 3.74Å; P15-I94 HydrophobicContact CG-CD1 3.29Å; P15-I94 HydrophobicContact CG-CG1 3.73Å
16T79.4Confident80.4Confident82 Ų8277.2 Ų77.250%0.50340%0.404SS..  trans-58.9158.6168.6590000110.7E18 T19 S20T16-E18 PolarHBondContact O-N 2.84Å; T16-T19 PolarHBondContact O-N 3.13Å; T16-T19 VanDerWaalsContact O-N 3.11Å; T16-T19 PolarHBondContact OG1-N 3.42Å; T16-T19 PolarHBondContact OG1-OG1 3.3Å; T16-S20 PolarHBondContact O-N 2.93Å; T16-S20 PolarHBondContact O-OG 3.15Å; T16-S20 VanDerWaalsContact O-OG 3.07Å
17F78.8Confident80.6Confident104 Ų10473.6 Ų73.646%0.45639%0.385SS..Hα-helixtrans-53.2-40.3176179-101.1000112.2S20 T21 S80 A81 F90F17-S20 PolarHBondContact O-N 3.41Å; F17-T21 WeakPolarHBondContact O-CB 3.44Å; F17-T21 PolarHBondContact O-N 3.07Å; F17-T21 PolarHBondContact O-OG1 3.33Å; F17-S80 WeakPolarHBondContact CD2-O 3.24Å; F17-A81 HydrophobicContact CE2-CB 4.35Å; F17-F90 HydrophobicContact CD2-CE2 4.39Å; F17-F90 HydrophobicContact CE2-CE2 4.03Å
18E78.5Confident80.4Confident138 Ų13875.3 Ų75.365%0.64538%0.383SS*.Hα-helixtrans-63.4-44.8177.3-65.5178.3170.800112.7T16 S20 T21 K22T16-E18 PolarHBondContact O-N 2.84Å; E18-S20 VanDerWaalsContact C-N 3.33Å; E18-T21 PolarHBondContact O-N 3.46Å; E18-K22 WeakPolarHBondContact O-CG 3.29Å; E18-K22 PolarHBondContact O-N 3.41Å
19T77.8Confident79.6Confident68 Ų6872.4 Ų72.442%0.41737%0.368SS..Hα-helixtrans-65.1-40.8178.3-56.40000110.8P15 T16 T21 K22 L23P15-T19 HydrophobicContact CB-CG2 3.74Å; T16-T19 PolarHBondContact O-N 3.13Å; T16-T19 VanDerWaalsContact O-N 3.11Å; T16-T19 PolarHBondContact OG1-N 3.42Å; T16-T19 PolarHBondContact OG1-OG1 3.3Å; T19-T21 VanDerWaalsContact C-N 3.32Å; T19-T21 PolarHBondContact O-N 3Å; T19-K22 PolarHBondContact O-N 3.42Å; T19-L23 PolarHBondContact O-N 3.25Å
20S82.4Confident79.1Confident2 Ų268.7 Ų68.71%0.01434%0.343CS..Hα-helixtrans-60.6-43.2174.6-55.30000111.4T16 F17 E18 K22 L23 H24T16-S20 PolarHBondContact O-N 2.93Å; T16-S20 PolarHBondContact O-OG 3.15Å; T16-S20 VanDerWaalsContact O-OG 3.07Å; F17-S20 PolarHBondContact O-N 3.41Å; E18-S20 VanDerWaalsContact C-N 3.33Å; S20-K22 PolarHBondContact O-N 3.07Å; S20-L23 PolarHBondContact O-N 2.95Å; S20-H24 WeakPolarHBondContact O-CB 3.42Å; S20-H24 PolarHBondContact O-N 3.04Å
21T82.2Confident78.6Confident40 Ų4071.4 Ų71.425%0.24535%0.353CS..Hα-helixtrans-65.1-40.8178.8-55.50000112F17 E18 T19 H24 Q25F17-T21 WeakPolarHBondContact O-CB 3.44Å; F17-T21 PolarHBondContact O-N 3.07Å; F17-T21 PolarHBondContact O-OG1 3.33Å; E18-T21 PolarHBondContact O-N 3.46Å; T19-T21 VanDerWaalsContact C-N 3.32Å; T19-T21 PolarHBondContact O-N 3Å; T21-H24 WeakPolarHBondContact O-CB 3.31Å; T21-H24 PolarHBondContact O-N 3.31Å; T21-Q25 WeakPolarHBondContact O-CG 3.39Å; T21-Q25 PolarHBondContact O-N 3.41Å
22K80.4Confident78.4Confident138 Ų13870.3 Ų70.360%0.634%0.34SS*.Hα-helixtrans-62.5-45.6174.9-73.1175-176.9173.50111.5E18 T19 S20 H24 Q25 V26E18-K22 WeakPolarHBondContact O-CG 3.29Å; E18-K22 PolarHBondContact O-N 3.41Å; T19-K22 PolarHBondContact O-N 3.42Å; S20-K22 PolarHBondContact O-N 3.07Å; K22-H24 VanDerWaalsContact C-N 3.31Å; K22-H24 PolarHBondContact O-N 3.44Å; K22-Q25 WeakPolarHBondContact O-CB 3.42Å; K22-Q25 PolarHBondContact O-N 3.4Å; K22-V26 PolarHBondContact O-N 3.25Å
23L82.2Confident78.7Confident29 Ų2972.9 Ų72.915%0.15236%0.358CS..Hα-helixtrans-62.1-42.5177-171.163.4000111.2T19 S20 Q25 V26 Y27 E93 I94 H97T19-L23 PolarHBondContact O-N 3.25Å; S20-L23 PolarHBondContact O-N 2.95Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.31Å; L23-V26 WeakPolarHBondContact O-CB 3.32Å; L23-V26 PolarHBondContact O-N 3.35Å; L23-V26 VanDerWaalsContact O-N 3.08Å; L23-Y27 HydrophobicContact CD1-CD2 4Å; L23-Y27 HydrophobicContact CD1-CE2 3.76Å; L23-Y27 HydrophobicContact CG-CD2 3.98Å; L23-Y27 HydrophobicContact CG-CE2 4.04Å; L23-Y27 PolarHBondContact O-N 3.27Å; L23-E93 HydrophobicContact CD2-CB 4.14Å; L23-E93 HydrophobicContact CG-CB 4.36Å; L23-I94 HydrophobicContact CD2-CG1 4.07Å; L23-H97 HydrophobicContact CD1-CB 4.2Å; L23-H97 HydrophobicContact CD2-CB 4.06Å
24H86.3Confident79.7Confident47 Ų4765.2 Ų65.222%0.21832%0.324CS..Hα-helixtrans-58.9-41175.9-173.365.5000112.5S20 T21 K22 V26 Y27 K28 F90 E93S20-H24 WeakPolarHBondContact O-CB 3.42Å; S20-H24 PolarHBondContact O-N 3.04Å; T21-H24 WeakPolarHBondContact O-CB 3.31Å; T21-H24 PolarHBondContact O-N 3.31Å; K22-H24 VanDerWaalsContact C-N 3.31Å; K22-H24 PolarHBondContact O-N 3.44Å; H24-V26 VanDerWaalsContact C-N 3.27Å; H24-V26 PolarHBondContact O-N 3.05Å; H24-Y27 PolarHBondContact O-N 3.32Å; H24-K28 WeakPolarHBondContact O-CB 3.49Å; H24-K28 PolarHBondContact O-N 3.26Å; H24-F90 HydrophobicContact CB-CD1 3.78Å; H24-F90 HydrophobicContact CB-CE1 3.48Å; H24-F90 VanDerWaalsContact CB-CE1 3.48Å; H24-F90 HydrophobicContact CB-CZ 4.46Å; H24-F90 AromaticContact CD2-CE1 3.81Å; H24-F90 AromaticContact CG-CD1 3.86Å; H24-F90 AromaticContact CG-CE1 3.41Å; H24-F90 VanDerWaalsContact CG-CE1 3.41Å; H24-F90 AromaticContact ND1-CD1 3.9Å; H24-F90 AromaticContact ND1-CE1 3.78Å; H24-E93 WeakPolarHBondContact CA-OE2 3.35Å; H24-E93 VanDerWaalsContact CB-OE2 3.27Å; H24-E93 WeakPolarHBondContact CB-OE2 2.92Å; H24-E93 IonicContact CE1-OE1 3.74Å; H24-E93 PolarHBondContact CE1-OE1 3.29Å; H24-E93 IonicContact CG-OE1 3.87Å; H24-E93 IonicContact CG-OE2 3.52Å; H24-E93 IonicContact ND1-OE1 2.73Å; H24-E93 PolarHBondContact ND1-OE1 3.09Å; H24-E93 IonicContact ND1-OE2 3.01Å; H24-E93 PolarHBondContact ND1-OE2 2.81Å
25Q79.8Confident80.8Confident102 Ų10263.3 Ų63.348%0.47732%0.315SS..Hα-helixtrans-60.6-35.7175.6-74.3176.5-1.400112.5T21 K22 L23 W29T21-Q25 WeakPolarHBondContact O-CG 3.39Å; T21-Q25 PolarHBondContact O-N 3.41Å; K22-Q25 WeakPolarHBondContact O-CB 3.42Å; K22-Q25 PolarHBondContact O-N 3.4Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.31Å; Q25-W29 PolarHBondContact O-NE1 3.29Å
26V78.4Confident82Confident84 Ų8464.5 Ų64.551%0.50932%0.323SS..Hα-helixtrans-68.8-49175.3176.70000110.7K22 L23 H24 K28 W29K22-V26 PolarHBondContact O-N 3.25Å; L23-V26 WeakPolarHBondContact O-CB 3.32Å; L23-V26 PolarHBondContact O-N 3.35Å; L23-V26 VanDerWaalsContact O-N 3.08Å; H24-V26 VanDerWaalsContact C-N 3.27Å; H24-V26 PolarHBondContact O-N 3.05Å; V26-K28 VanDerWaalsContact C-N 3.29Å; V26-K28 PolarHBondContact O-N 3.02Å; V26-W29 PolarHBondContact O-N 3.29Å
27Y81.9Confident82.7Confident8 Ų860.7 Ų60.73%0.03130%0.3CS..Hα-helixtrans-68.9-25.4-178.1-87.2-86.4000113.8L23 H24 W29 T30 A34 E93 V96 H97 P111L23-Y27 HydrophobicContact CD1-CD2 4Å; L23-Y27 HydrophobicContact CD1-CE2 3.76Å; L23-Y27 HydrophobicContact CG-CD2 3.98Å; L23-Y27 HydrophobicContact CG-CE2 4.04Å; L23-Y27 PolarHBondContact O-N 3.27Å; H24-Y27 PolarHBondContact O-N 3.32Å; Y27-W29 PolarHBondContact O-N 3.04Å; Y27-W29 VanDerWaalsContact O-N 3.12Å; Y27-T30 HydrophobicContact CD1-CG2 4.14Å; Y27-T30 PolarHBondContact O-N 2.84Å; Y27-T30 PolarHBondContact O-OG1 2.89Å; Y27-A34 HydrophobicContact CD1-CB 4.2Å; Y27-A34 HydrophobicContact CE1-CB 4.39Å; Y27-E93 HydrophobicContact CD1-CG 4.41Å; Y27-E93 HydrophobicContact CD2-CB 4.04Å; Y27-E93 HydrophobicContact CD2-CG 4.04Å; Y27-E93 HydrophobicContact CE2-CB 4.38Å; Y27-E93 HydrophobicContact CG-CB 4.35Å; Y27-E93 HydrophobicContact CG-CG 3.85Å; Y27-V96 HydrophobicContact CE1-CB 4.35Å; Y27-V96 HydrophobicContact CE1-CG1 3.82Å; Y27-V96 WeakPolarHBondContact OH-CG1 3.47Å; Y27-H97 HydrophobicContact CE2-CB 4.11Å; Y27-H97 VanDerWaalsContact OH-CA 3.27Å; Y27-H97 WeakPolarHBondContact OH-CA 3.07Å; Y27-H97 PolarHBondContact OH-N 3.35Å; Y27-H97 VanDerWaalsContact OH-N 3.16Å; Y27-P111 HydrophobicContact CE1-CB 3.86Å; Y27-P111 HydrophobicContact CE1-CG 3.79Å; Y27-P111 WeakPolarHBondContact OH-CG 3.25Å
28K77.4Confident83.5Confident135 Ų13556 Ų5659%0.58728%0.279SS*.THydrogen-bonded Turntrans-56.7-27.6175.8-170.8178.2179.4-1740112.9H24 V26H24-K28 WeakPolarHBondContact O-CB 3.49Å; H24-K28 PolarHBondContact O-N 3.26Å; V26-K28 VanDerWaalsContact C-N 3.29Å; V26-K28 PolarHBondContact O-N 3.02Å
29W68.4Low84.3Confident40 Ų4054.6 Ų54.615%0.15228%0.276CS..THydrogen-bonded Turntrans-101.611.4179.5-52.7107.5000113.5Q25 V26 Y27 V113 E114 M118 G149 P151Q25-W29 PolarHBondContact O-NE1 3.29Å; V26-W29 PolarHBondContact O-N 3.29Å; Y27-W29 PolarHBondContact O-N 3.04Å; Y27-W29 VanDerWaalsContact O-N 3.12Å; W29-V113 HydrophobicContact CB-CG1 4.29Å; W29-V113 CarbonylContact O-C 3.54Å; W29-V113 WeakPolarHBondContact O-CA 3.47Å; W29-E114 WeakPolarHBondContact O-CB 3.37Å; W29-E114 PolarHBondContact O-N 3.07Å; W29-M118 HydrophobicContact CB-CE 4.43Å; W29-M118 HydrophobicContact CD2-CE 4.23Å; W29-M118 HydrophobicContact CE3-CE 4.03Å; W29-M118 HydrophobicContact CG-CE 4.41Å; W29-G149 WeakPolarHBondContact CH2-O 3.14Å; W29-G149 WeakPolarHBondContact CZ2-O 3.46Å; W29-P151 VanDerWaalsContact CD1-CG 3.49Å; W29-P151 HydrophobicContact CG-CG 4.36Å
30T76.6Confident85.1Confident11 Ų1154 Ų547%0.06727%0.269CS..BIsolated β-bridgetrans-84.9143176.159.90000110Y27 K32 P111 Q112Y27-T30 HydrophobicContact CD1-CG2 4.14Å; Y27-T30 PolarHBondContact O-N 2.84Å; Y27-T30 PolarHBondContact O-OG1 2.89Å; T30-K32 PolarHBondContact O-N 3.46Å; T30-K32 PolarHBondContact OG1-O 2.69Å; T30-P111 HydrophobicContact CG2-CB 3.96Å; T30-Q112 CarbonylContact C-O 3.48Å; T30-Q112 VanDerWaalsContact CA-O 3.23Å; T30-Q112 WeakPolarHBondContact CA-O 2.94Å
31K76.8Confident85.6Confident98 Ų9853.9 Ų53.943%0.42627%0.268SS..SBendtrans-52.7-27.9176.9-71.2-172.5174.8-174.70113.1Q112 E114 T116K31-Q112 HydrophobicContact CD-CB 4.46Å; K31-Q112 PolarHBondContact N-O 3.42Å; K31-E114 HydrophobicContact CG-CB 3.79Å; K31-E114 HydrophobicContact CG-CG 3.83Å; K31-T116 WeakPolarHBondContact CE-OG1 3.22Å; K31-T116 PolarHBondContact NZ-OG1 3.39Å
32K84.8Confident86.2Confident71 Ų7156.5 Ų56.531%0.30928%0.276SS..SBendtrans-130116.4-178.3-69.7-175.6173.3-171.20109.7T30 V37 E40T30-K32 PolarHBondContact O-N 3.46Å; T30-K32 PolarHBondContact OG1-O 2.69Å; K32-V37 HydrophobicContact CB-CG2 3.88Å; K32-E40 WeakPolarHBondContact CD-OE1 3.24Å; K32-E40 VanDerWaalsContact CE-OE1 3.27Å; K32-E40 WeakPolarHBondContact CE-OE1 3.48Å; K32-E40 IonicContact NZ-OE1 2.69Å; K32-E40 PolarHBondContact NZ-OE1 3.04Å; K32-E40 IonicContact NZ-OE2 3.67Å; K32-E40 PolarHBondContact NZ-OE2 3.02Å
33P89.6Confident86.8Confident67 Ų6755.6 Ų55.644%0.43527%0.274SS..  trans-61.2149.2174.625.2-32.2000110.2L35 S36 V37P33-L35 PolarHBondContact O-N 2.74Å; P33-L35 VanDerWaalsContact O-N 3.09Å; P33-S36 WeakPolarHBondContact O-CA 3.29Å; P33-S36 VanDerWaalsContact O-CB 3.29Å; P33-S36 WeakPolarHBondContact O-CB 3.38Å; P33-S36 PolarHBondContact O-N 3.41Å; P33-V37 PolarHBondContact O-N 2.94Å; P33-V37 VanDerWaalsContact O-N 3.1Å
34A92.4Very high87.2Confident0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-52.9-37.6-175.300000113.4Y27 S36 V37 L38 A92 E93 V96Y27-A34 HydrophobicContact CD1-CB 4.2Å; Y27-A34 HydrophobicContact CE1-CB 4.39Å; A34-S36 VanDerWaalsContact C-N 3.33Å; A34-S36 PolarHBondContact O-N 3.03Å; A34-V37 WeakPolarHBondContact O-CB 3.44Å; A34-V37 PolarHBondContact O-N 3.38Å; A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 3.15Å; A34-A92 HydrophobicContact CB-CB 4.08Å; A34-E93 HydrophobicContact CB-CB 4.31Å; A34-E93 HydrophobicContact CB-CG 3.58Å; A34-V96 HydrophobicContact CB-CB 4.19Å; A34-V96 HydrophobicContact CB-CG2 3.82Å
35L94.2Very high87.4Confident49 Ų4957.7 Ų57.726%0.25728%0.284SS..Hα-helixtrans-62.2-37.3175.2-70.7172.6000113P33 N39 W53 K88 A92P33-L35 PolarHBondContact O-N 2.74Å; P33-L35 VanDerWaalsContact O-N 3.09Å; L35-N39 WeakPolarHBondContact O-CB 3.46Å; L35-N39 PolarHBondContact O-N 3.24Å; L35-W53 HydrophobicContact CD2-CH2 3.73Å; L35-W53 HydrophobicContact CD2-CZ2 4Å; L35-K88 HydrophobicContact CD2-CG 4.38Å; L35-A92 HydrophobicContact CD2-CB 3.56Å; L35-A92 HydrophobicContact CG-CB 3.93Å
36S93.8Very high87.5Confident42 Ų4260.4 Ų60.429%0.29429%0.289SS..Hα-helixtrans-67.4-42173.9-1680000110.7P33 A34 L38 N39 E40P33-S36 WeakPolarHBondContact O-CA 3.29Å; P33-S36 VanDerWaalsContact O-CB 3.29Å; P33-S36 WeakPolarHBondContact O-CB 3.38Å; P33-S36 PolarHBondContact O-N 3.41Å; A34-S36 VanDerWaalsContact C-N 3.33Å; A34-S36 PolarHBondContact O-N 3.03Å; S36-L38 PolarHBondContact O-N 3.49Å; S36-N39 PolarHBondContact O-N 2.85Å; S36-E40 WeakPolarHBondContact O-CG 3.33Å; S36-E40 PolarHBondContact O-N 2.96Å; S36-E40 PolarHBondContact OG-OE1 3.24Å
37V94.2Very high87.6Confident2 Ų262.2 Ų62.21%0.01230%0.297CS..Hα-helixtrans-57.8-48.5176174.90000110.9K32 P33 A34 N39 E40 L41 V96 L105 L109K32-V37 HydrophobicContact CB-CG2 3.88Å; P33-V37 PolarHBondContact O-N 2.94Å; P33-V37 VanDerWaalsContact O-N 3.1Å; A34-V37 WeakPolarHBondContact O-CB 3.44Å; A34-V37 PolarHBondContact O-N 3.38Å; V37-N39 VanDerWaalsContact C-N 3.34Å; V37-N39 PolarHBondContact O-N 3.15Å; V37-E40 PolarHBondContact O-N 3.32Å; V37-L41 VanDerWaalsContact O-CB 3.31Å; V37-L41 WeakPolarHBondContact O-CB 2.76Å; V37-L41 PolarHBondContact O-N 3.36Å; V37-V96 HydrophobicContact CB-CG1 4.34Å; V37-V96 HydrophobicContact CB-CG2 4.25Å; V37-V96 HydrophobicContact CG1-CG1 3.86Å; V37-V96 HydrophobicContact CG1-CG2 4.12Å; V37-L105 HydrophobicContact CG1-CD1 4.47Å; V37-L105 HydrophobicContact CG1-CD2 4.09Å; V37-L109 HydrophobicContact CG1-CB 4.07Å; V37-L109 HydrophobicContact CG1-CD1 4.14Å; V37-L109 HydrophobicContact CG1-CG 4.5Å
38L95.2Very high87.9Confident4 Ų465.6 Ų65.62%0.02132%0.315CS..Hα-helixtrans-62.8-39.3176.9-65.1178.1000112.2A34 S36 L41 K42 Y51 W53 A92 L95 V96 L99A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 3.15Å; S36-L38 PolarHBondContact O-N 3.49Å; L38-L41 PolarHBondContact O-N 3.38Å; L38-K42 PolarHBondContact O-N 3.19Å; L38-Y51 HydrophobicContact CB-CE1 4.38Å; L38-Y51 HydrophobicContact CB-CE2 4.46Å; L38-Y51 HydrophobicContact CD1-CE1 4.49Å; L38-Y51 HydrophobicContact CD2-CE1 3.94Å; L38-Y51 HydrophobicContact CG-CE1 4.5Å; L38-Y51 WeakPolarHBondContact O-CE2 3.27Å; L38-W53 HydrophobicContact CD1-CH2 4.13Å; L38-W53 HydrophobicContact CD1-CZ2 4.11Å; L38-A92 HydrophobicContact CD1-CB 3.87Å; L38-L95 HydrophobicContact CD1-CD2 4.1Å; L38-L95 HydrophobicContact CD2-CD2 3.84Å; L38-L95 HydrophobicContact CD2-CG 4.11Å; L38-V96 HydrophobicContact CD1-CG2 4.29Å; L38-V96 HydrophobicContact CD2-CG2 3.55Å; L38-V96 HydrophobicContact CG-CG2 3.61Å; L38-L99 HydrophobicContact CD2-CD1 4.21Å
39N94.7Very high88.6Confident109 Ų10959.3 Ų59.358%0.58329%0.287SS*.Hα-helixtrans-66-43.7178.2-170.449.9000112.1L35 S36 V37 K42 H43L35-N39 WeakPolarHBondContact O-CB 3.46Å; L35-N39 PolarHBondContact O-N 3.24Å; S36-N39 PolarHBondContact O-N 2.85Å; V37-N39 VanDerWaalsContact C-N 3.34Å; V37-N39 PolarHBondContact O-N 3.15Å; N39-K42 WeakPolarHBondContact O-CB 3.48Å; N39-K42 PolarHBondContact O-N 2.68Å; N39-H43 PolarHBondContact O-N 3.02Å; N39-H43 VanDerWaalsContact O-N 3.09Å
40E94.6Very high89.7Confident56 Ų5662.4 Ų62.426%0.26230%0.3SS..Hα-helixtrans-66.1-39174.8-72.6-177.2-124.200111.9K32 S36 V37 K42 H43 M44 L109K32-E40 WeakPolarHBondContact CD-OE1 3.24Å; K32-E40 VanDerWaalsContact CE-OE1 3.27Å; K32-E40 WeakPolarHBondContact CE-OE1 3.48Å; K32-E40 IonicContact NZ-OE1 2.69Å; K32-E40 PolarHBondContact NZ-OE1 3.04Å; K32-E40 IonicContact NZ-OE2 3.67Å; K32-E40 PolarHBondContact NZ-OE2 3.02Å; S36-E40 WeakPolarHBondContact O-CG 3.33Å; S36-E40 PolarHBondContact O-N 2.96Å; S36-E40 PolarHBondContact OG-OE1 3.24Å; V37-E40 PolarHBondContact O-N 3.32Å; E40-K42 PolarHBondContact O-N 2.79Å; E40-H43 WeakPolarHBondContact O-CB 3.38Å; E40-H43 PolarHBondContact O-N 2.71Å; E40-M44 WeakPolarHBondContact O-CG 3.09Å; E40-M44 PolarHBondContact O-N 2.83Å; E40-L109 HydrophobicContact CB-CD1 4.24Å; E40-L109 HydrophobicContact CB-CD2 3.79Å; E40-L109 HydrophobicContact CG-CD2 4.48Å; E40-L109 WeakPolarHBondContact OE2-CD2 3.39Å
41L94.4Very high90.6Very high0 Ų063.8 Ų63.80%030%0.304CS..Hα-helixtrans-60.3-45.5175.3-171.266.3000111.1V37 L38 H43 M44 H45 I49 M68 W70 L99 L105 L109V37-L41 VanDerWaalsContact O-CB 3.31Å; V37-L41 WeakPolarHBondContact O-CB 2.76Å; V37-L41 PolarHBondContact O-N 3.36Å; L38-L41 PolarHBondContact O-N 3.38Å; L41-H43 PolarHBondContact O-N 2.77Å; L41-M44 HydrophobicContact CB-CE 4.49Å; L41-M44 HydrophobicContact CD1-CE 3.8Å; L41-M44 PolarHBondContact O-N 2.99Å; L41-H45 PolarHBondContact O-N 2.89Å; L41-H45 VanDerWaalsContact O-N 3.16Å; L41-I49 HydrophobicContact CD1-CD1 4.41Å; L41-I49 HydrophobicContact CD2-CD1 4.22Å; L41-I49 HydrophobicContact CG-CD1 3.79Å; L41-M68 HydrophobicContact CD2-CE 4.07Å; L41-W70 HydrophobicContact CD1-CH2 4.28Å; L41-W70 HydrophobicContact CD2-CZ3 4.31Å; L41-L99 HydrophobicContact CD2-CD1 3.83Å; L41-L105 HydrophobicContact CD2-CD2 4.08Å; L41-L109 HydrophobicContact CB-CD1 3.79Å; L41-L109 HydrophobicContact CD1-CD1 4.05Å
42K94Very high91.5Very high95 Ų9564.3 Ų64.341%0.41331%0.308SS..Hα-helixtrans-53.5-43.9171.2-160.4-175173.1178.30111.8L38 N39 E40 H45 R46 Y51L38-K42 PolarHBondContact O-N 3.19Å; N39-K42 WeakPolarHBondContact O-CB 3.48Å; N39-K42 PolarHBondContact O-N 2.68Å; E40-K42 PolarHBondContact O-N 2.79Å; K42-H45 CarbonylContact O-C 3.55Å; K42-R46 PolarHBondContact O-N 3.5Å; K42-Y51 HydrophobicContact CB-CD2 4.36Å; K42-Y51 HydrophobicContact CB-CE2 3.85Å; K42-Y51 HydrophobicContact CD-CD2 4.18Å; K42-Y51 HydrophobicContact CG-CD2 4.28Å; K42-Y51 HydrophobicContact CG-CE2 4.16Å
43H92.7Very high92Very high118 Ų11864.6 Ų64.655%0.54631%0.307SS..Hα-helixtrans-73.4-28.6-174.6-151.476.5000113.1N39 E40 L41 R46N39-H43 PolarHBondContact O-N 3.02Å; N39-H43 VanDerWaalsContact O-N 3.09Å; E40-H43 WeakPolarHBondContact O-CB 3.38Å; E40-H43 PolarHBondContact O-N 2.71Å; L41-H43 PolarHBondContact O-N 2.77Å; H43-R46 PolarHBondContact CE1-NH2 3.16Å; H43-R46 PolarHBondContact NE2-NH2 2.92Å; H43-R46 WeakPolarHBondContact O-CG 3.35Å
44M91.6Very high92.3Very high65 Ų6566.3 Ų66.332%0.3231%0.306SS..Hα-helixtrans-74.9-37.2174.6-73.4-170.3-6700113.1E40 L41 P106 K108 L109E40-M44 WeakPolarHBondContact O-CG 3.09Å; E40-M44 PolarHBondContact O-N 2.83Å; L41-M44 HydrophobicContact CB-CE 4.49Å; L41-M44 HydrophobicContact CD1-CE 3.8Å; L41-M44 PolarHBondContact O-N 2.99Å; M44-P106 HydrophobicContact CE-CG 3.42Å; M44-P106 VanDerWaalsContact CE-CG 3.42Å; M44-P106 HydrophobicContact SD-CG 4.07Å; M44-K108 HydrophobicContact SD-CD 4.4Å; M44-K108 WeakPolarHBondContact SD-CE 3.31Å; M44-K108 PolarHBondContact SD-NZ 3.32Å; M44-L109 HydrophobicContact CE-CD1 3.2Å; M44-L109 HydrophobicContact CE-CG 3.82Å
45H89.8Confident92.4Very high56 Ų5669.9 Ų69.926%0.25933%0.328SS..THydrogen-bonded Turntrans-108.454.5179.9-58.9-75.9000109.8L41 K42 D47 L48 I49 W70L41-H45 PolarHBondContact O-N 2.89Å; L41-H45 VanDerWaalsContact O-N 3.16Å; K42-H45 CarbonylContact O-C 3.55Å; H45-D47 PolarHBondContact O-N 2.91Å; H45-L48 HydrophobicContact CB-CB 4.21Å; H45-L48 PolarHBondContact O-N 3.28Å; H45-L48 VanDerWaalsContact O-N 3.07Å; H45-I49 HydrophobicContact CB-CB 4.48Å; H45-I49 HydrophobicContact CB-CD1 3.58Å; H45-I49 HydrophobicContact CB-CG1 3.78Å; H45-I49 PolarHBondContact O-N 3.04Å; H45-W70 AromaticContact CD2-CZ2 3.82Å; H45-W70 AromaticContact CE1-CZ2 3.95Å; H45-W70 AromaticContact NE2-CZ2 3.72Å
46R82.3Confident92.4Very high158 Ų15871.8 Ų71.860%0.59634%0.341SS*.THydrogen-bonded Turntrans-49.2137.7176.8-75.6-174.5-175.7-175.12.2109.6K42 H43 L48K42-R46 PolarHBondContact O-N 3.5Å; H43-R46 PolarHBondContact CE1-NH2 3.16Å; H43-R46 PolarHBondContact NE2-NH2 2.92Å; H43-R46 WeakPolarHBondContact O-CG 3.35Å; R46-L48 PolarHBondContact O-N 2.99Å
47D81.4Confident92.3Very high123 Ų12375.3 Ų75.366%0.65836%0.361SS*.THydrogen-bonded Turntrans65.2-2.6179.1-46.3-43.5000116.6H45 Y50H45-D47 PolarHBondContact O-N 2.91Å; D47-Y50 WeakPolarHBondContact CA-OH 3.45Å; D47-Y50 VanDerWaalsContact O-CE2 3.27Å; D47-Y50 WeakPolarHBondContact O-CE2 3.47Å; D47-Y50 PolarHBondContact O-OH 3.11Å
48L86.9Confident91.9Very high79 Ų7977.1 Ų77.141%0.41438%0.38SS..THydrogen-bonded Turntrans-105.3-27.5176.4-65.2174.1000113.2H45 R46 W70 G71H45-L48 HydrophobicContact CB-CB 4.21Å; H45-L48 PolarHBondContact O-N 3.28Å; H45-L48 VanDerWaalsContact O-N 3.07Å; R46-L48 PolarHBondContact O-N 2.99Å; L48-W70 WeakPolarHBondContact O-CA 3.43Å; L48-G71 PolarHBondContact O-N 3.34Å; L48-G71 VanDerWaalsContact O-N 3.14Å
49I92Very high91.3Very high2 Ų283.4 Ų83.41%0.0143%0.425CS..EExtended strand (participates in β ladder)trans-115126.7-178.5-62.2178.5000111.1L41 H45 Y51 M68 V69 W70L41-I49 HydrophobicContact CD1-CD1 4.41Å; L41-I49 HydrophobicContact CD2-CD1 4.22Å; L41-I49 HydrophobicContact CG-CD1 3.79Å; H45-I49 HydrophobicContact CB-CB 4.48Å; H45-I49 HydrophobicContact CB-CD1 3.58Å; H45-I49 HydrophobicContact CB-CG1 3.78Å; H45-I49 PolarHBondContact O-N 3.04Å; I49-Y51 HydrophobicContact CG2-CD2 4.19Å; I49-Y51 HydrophobicContact CG2-CE1 4.35Å; I49-Y51 HydrophobicContact CG2-CE2 3.46Å; I49-Y51 VanDerWaalsContact CG2-CE2 3.46Å; I49-M68 HydrophobicContact CD1-CE 3.89Å; I49-M68 HydrophobicContact CG1-CE 4.22Å; I49-M68 HydrophobicContact CG2-CE 3.85Å; I49-M68 HydrophobicContact CG2-CG 4.27Å; I49-V69 CarbonylContact C-O 3.57Å; I49-V69 VanDerWaalsContact CA-O 3.28Å; I49-V69 WeakPolarHBondContact CA-O 3.28Å; I49-W70 HydrophobicContact CD1-CD2 3.66Å; I49-W70 HydrophobicContact CD1-CE3 4.05Å; I49-W70 HydrophobicContact CD1-CG 4.05Å; I49-W70 HydrophobicContact CD1-CH2 4.2Å; I49-W70 HydrophobicContact CD1-CZ2 3.87Å; I49-W70 HydrophobicContact CD1-CZ3 4.28Å; I49-W70 HydrophobicContact CG1-CB 4.18Å; I49-W70 HydrophobicContact CG1-CD2 3.82Å; I49-W70 HydrophobicContact CG1-CG 3.64Å
50Y92.6Very high90.7Very high106 Ų10681.6 Ų81.642%0.41643%0.431SS..EExtended strand (participates in β ladder)trans-128144.3175.2-56.5-89.9000110.4D47 M68 V69D47-Y50 WeakPolarHBondContact CA-OH 3.45Å; D47-Y50 VanDerWaalsContact O-CE2 3.27Å; D47-Y50 WeakPolarHBondContact O-CE2 3.47Å; D47-Y50 PolarHBondContact O-OH 3.11Å; Y50-M68 CarbonylContact O-C 3.6Å; Y50-M68 VanDerWaalsContact O-CA 3.31Å; Y50-M68 WeakPolarHBondContact O-CA 3.46Å; Y50-V69 PolarHBondContact N-O 3.06Å; Y50-V69 PolarHBondContact O-N 2.87Å
51Y94.7Very high90.4Very high40 Ų4081.9 Ų81.916%0.15744%0.437CS..EExtended strand (participates in β ladder)trans-122.3131.7176.3-62.3-80.1000109.7L38 K42 I49 V66 L67 M68 L95L38-Y51 HydrophobicContact CB-CE1 4.38Å; L38-Y51 HydrophobicContact CB-CE2 4.46Å; L38-Y51 HydrophobicContact CD1-CE1 4.49Å; L38-Y51 HydrophobicContact CD2-CE1 3.94Å; L38-Y51 HydrophobicContact CG-CE1 4.5Å; L38-Y51 WeakPolarHBondContact O-CE2 3.27Å; K42-Y51 HydrophobicContact CB-CD2 4.36Å; K42-Y51 HydrophobicContact CB-CE2 3.85Å; K42-Y51 HydrophobicContact CD-CD2 4.18Å; K42-Y51 HydrophobicContact CG-CD2 4.28Å; K42-Y51 HydrophobicContact CG-CE2 4.16Å; I49-Y51 HydrophobicContact CG2-CD2 4.19Å; I49-Y51 HydrophobicContact CG2-CE1 4.35Å; I49-Y51 HydrophobicContact CG2-CE2 3.46Å; I49-Y51 VanDerWaalsContact CG2-CE2 3.46Å; Y51-V66 HydrophobicContact CD1-CG2 3.98Å; Y51-L67 CarbonylContact C-O 3.5Å; Y51-L67 WeakPolarHBondContact CA-O 3.49Å; Y51-M68 HydrophobicContact CD1-CB 3.77Å; Y51-M68 HydrophobicContact CD1-CG 3.97Å; Y51-M68 HydrophobicContact CE1-CB 3.67Å; Y51-M68 HydrophobicContact CE1-CG 3.46Å; Y51-M68 VanDerWaalsContact CE1-CG 3.46Å; Y51-M68 HydrophobicContact CE1-SD 3.52Å; Y51-M68 VanDerWaalsContact CE1-SD 3.52Å; Y51-L95 HydrophobicContact CD1-CD2 4.4Å; Y51-L95 HydrophobicContact CE1-CD2 3.93Å
52Q95.1Very high90.4Very high108 Ų10882.5 Ų82.551%0.50544%0.441SS..EExtended strand (participates in β ladder)trans-121.1128.6169.6-161.2161.9-5.200109.7Y54 V66 L67Q52-Y54 HydrophobicContact CB-CE2 4.1Å; Q52-Y54 HydrophobicContact CG-CE1 4.08Å; Q52-Y54 HydrophobicContact CG-CE2 3.9Å; Q52-Y54 WeakPolarHBondContact CG-OH 3.25Å; Q52-Y54 PolarHBondContact NE2-OH 2.98Å; Q52-Y54 PolarHBondContact OE1-OH 2.87Å; Q52-V66 WeakPolarHBondContact O-CA 3.32Å; Q52-L67 HydrophobicContact CB-CB 4.43Å; Q52-L67 PolarHBondContact N-O 2.81Å; Q52-L67 PolarHBondContact O-N 3.36Å
53W96Very high90.3Very high78 Ų7879 Ų7930%0.29543%0.427SS..EExtended strand (participates in β ladder)trans-110.9134.5-175.7-63.685.1000109.6L35 L38 S65 V66 K88 A91 A92L35-W53 HydrophobicContact CD2-CH2 3.73Å; L35-W53 HydrophobicContact CD2-CZ2 4Å; L38-W53 HydrophobicContact CD1-CH2 4.13Å; L38-W53 HydrophobicContact CD1-CZ2 4.11Å; W53-S65 WeakPolarHBondContact CA-O 3.49Å; W53-V66 HydrophobicContact CD2-CB 4.08Å; W53-V66 HydrophobicContact CD2-CG2 3.98Å; W53-V66 HydrophobicContact CE3-CB 3.71Å; W53-V66 HydrophobicContact CE3-CG2 4.1Å; W53-V66 HydrophobicContact CH2-CB 3.8Å; W53-V66 HydrophobicContact CH2-CG1 4.27Å; W53-V66 HydrophobicContact CH2-CG2 3.77Å; W53-V66 HydrophobicContact CZ2-CB 4.16Å; W53-V66 HydrophobicContact CZ2-CG2 3.64Å; W53-V66 HydrophobicContact CZ3-CB 3.58Å; W53-V66 HydrophobicContact CZ3-CG1 4.2Å; W53-V66 HydrophobicContact CZ3-CG2 4.02Å; W53-K88 HydrophobicContact CE3-CD 4.4Å; W53-K88 HydrophobicContact CE3-CG 3.85Å; W53-K88 HydrophobicContact CH2-CG 4.39Å; W53-K88 HydrophobicContact CZ3-CG 3.67Å; W53-A91 HydrophobicContact CZ3-CB 4.42Å; W53-A92 HydrophobicContact CH2-CB 3.89Å
54Y94.9Very high90.4Very high103 Ų10373.3 Ų73.340%0.40440%0.401SS..EExtended strand (participates in β ladder)trans-127133.4176.6-51.1-86.8000108.4Q52 C64 S65 L67Q52-Y54 HydrophobicContact CB-CE2 4.1Å; Q52-Y54 HydrophobicContact CG-CE1 4.08Å; Q52-Y54 HydrophobicContact CG-CE2 3.9Å; Q52-Y54 WeakPolarHBondContact CG-OH 3.25Å; Q52-Y54 PolarHBondContact NE2-OH 2.98Å; Q52-Y54 PolarHBondContact OE1-OH 2.87Å; Y54-C64 CarbonylContact O-C 3.54Å; Y54-C64 WeakPolarHBondContact O-CA 3.42Å; Y54-S65 PolarHBondContact N-O 2.81Å; Y54-S65 PolarHBondContact O-N 2.95Å; Y54-L67 HydrophobicContact CE2-CB 4.16Å
55T94.8Very high90.5Very high75 Ų7570.6 Ų70.646%0.4639%0.388SS..EExtended strand (participates in β ladder)trans-124.9127.4175.5-55.40000108.5V62 T63 A84T55-V62 HydrophobicContact CG2-CG1 3.61Å; T55-T63 CarbonylContact C-O 3.57Å; T55-T63 WeakPolarHBondContact CA-O 3.45Å; T55-A84 HydrophobicContact CG2-CB 4.23Å
56T93.8Very high90.8Very high88 Ų8868 Ų6854%0.5438%0.376SS..EExtended strand (participates in β ladder)trans-117.6137.7174.655.50000108.9T63T56-T63 PolarHBondContact N-O 3.17Å; T56-T63 PolarHBondContact O-N 3.11Å; T56-T63 WeakPolarHBondContact OG1-CB 3.18Å; T56-T63 PolarHBondContact OG1-O 2.87Å
57V92.4Very high91.4Very high116 Ų11662.4 Ų62.470%0.70336%0.358SS*.EExtended strand (participates in β ladder)trans-119123178.4-177.70000106.9V62V57-V62 HydrophobicContact CG1-CG2 4.36Å; V57-V62 HydrophobicContact CG2-CG1 4.14Å; V57-V62 HydrophobicContact CG2-CG2 4.24Å
58G86.6Confident92.1Very high41 Ų4156.5 Ų56.542%0.42333%0.326SS..EExtended strand (participates in β ladder)trans-156.1137.5-179.200000111.9G60 V61G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 3.02Å; G58-G60 VanDerWaalsContact O-N 3.08Å; G58-V61 PolarHBondContact N-O 3.44Å; G58-V61 PolarHBondContact O-N 3.01Å
59S81.9Confident92.4Very high136 Ų13654.2 Ų54.295%0.95132%0.315SS*.THydrogen-bonded Turntrans45.543.3173.7-54.70000115.2V61S59-V61 VanDerWaalsContact C-N 3.26Å; S59-V61 PolarHBondContact O-N 3.37Å
60G83Confident92.4Very high70 Ų7056.7 Ų56.772%0.72233%0.325SS*.THydrogen-bonded Turntrans782.3179.400000115.4G58G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 3.02Å; G58-G60 VanDerWaalsContact O-N 3.08Å
61V88.6Confident92.1Very high63 Ų6352.6 Ų52.638%0.38232%0.315SS..EExtended strand (participates in β ladder)trans-115.2134.6177.2-178.50000109.7G58 S59G58-V61 PolarHBondContact N-O 3.44Å; G58-V61 PolarHBondContact O-N 3.01Å; S59-V61 VanDerWaalsContact C-N 3.26Å; S59-V61 PolarHBondContact O-N 3.37Å
62V92.5Very high91.8Very high13 Ų1353.2 Ų53.28%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-102.7128.2171.8-172.90000109T55 V57 S80 A81 A84 A87T55-V62 HydrophobicContact CG2-CG1 3.61Å; V57-V62 HydrophobicContact CG1-CG2 4.36Å; V57-V62 HydrophobicContact CG2-CG1 4.14Å; V57-V62 HydrophobicContact CG2-CG2 4.24Å; V62-S80 CarbonylContact O-C 3.57Å; V62-S80 VanDerWaalsContact O-CA 3.24Å; V62-S80 WeakPolarHBondContact O-CA 3.18Å; V62-A81 PolarHBondContact N-O 3.43Å; V62-A81 PolarHBondContact O-N 2.91Å; V62-A84 HydrophobicContact CG1-CB 3.89Å; V62-A87 HydrophobicContact CG1-CB 4.28Å
63T92.5Very high91.6Very high20 Ų2049.1 Ų49.112%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-116.5126.6177.1-61.60000109.6T55 T56 Q78 A79 S80T55-T63 CarbonylContact C-O 3.57Å; T55-T63 WeakPolarHBondContact CA-O 3.45Å; T56-T63 PolarHBondContact N-O 3.17Å; T56-T63 PolarHBondContact O-N 3.11Å; T56-T63 WeakPolarHBondContact OG1-CB 3.18Å; T56-T63 PolarHBondContact OG1-O 2.87Å; T63-Q78 HydrophobicContact CG2-CG 3.59Å; T63-A79 CarbonylContact C-O 3.57Å; T63-A79 WeakPolarHBondContact CA-O 3.16Å; T63-S80 PolarHBondContact OG1-OG 2.8Å
64C95.1Very high91.4Very high0 Ų045.5 Ų45.50%029%0.294CS..EExtended strand (participates in β ladder)trans-113.1135.9175-161.10000109.5Y54 Q78 A79 A87 K88 A91Y54-C64 CarbonylContact O-C 3.54Å; Y54-C64 WeakPolarHBondContact O-CA 3.42Å; C64-Q78 VanDerWaalsContact O-CA 3.32Å; C64-Q78 WeakPolarHBondContact O-CA 3.32Å; C64-A79 PolarHBondContact N-O 3.28Å; C64-A79 PolarHBondContact O-N 2.84Å; C64-A87 VanDerWaalsContact CB-C 3.47Å; C64-A87 HydrophobicContact CB-CB 3.7Å; C64-A87 WeakPolarHBondContact CB-O 3.27Å; C64-K88 HydrophobicContact CB-CB 4.46Å; C64-A91 HydrophobicContact CB-CB 4.43Å
65S94.4Very high91.4Very high8 Ų840.7 Ų40.76%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-121.4136.4174-62.80000109.7W53 Y54 A77 Q78W53-S65 WeakPolarHBondContact CA-O 3.49Å; Y54-S65 PolarHBondContact N-O 2.81Å; Y54-S65 PolarHBondContact O-N 2.95Å; S65-A77 CarbonylContact C-O 3.58Å; S65-A77 VanDerWaalsContact CA-O 3.31Å; S65-A77 WeakPolarHBondContact CA-O 3.44Å; S65-Q78 WeakPolarHBondContact OG-CG 3.45Å; S65-Q78 PolarHBondContact OG-OE1 3.11Å; S65-Q78 VanDerWaalsContact OG-OE1 3.09Å
66V95.8Very high91.3Very high0 Ų042.2 Ų42.20%027%0.273CS..EExtended strand (participates in β ladder)trans-113.5125.8168.5590000109Y51 Q52 W53 R76 A77 A91 L95Y51-V66 HydrophobicContact CD1-CG2 3.98Å; Q52-V66 WeakPolarHBondContact O-CA 3.32Å; W53-V66 HydrophobicContact CD2-CB 4.08Å; W53-V66 HydrophobicContact CD2-CG2 3.98Å; W53-V66 HydrophobicContact CE3-CB 3.71Å; W53-V66 HydrophobicContact CE3-CG2 4.1Å; W53-V66 HydrophobicContact CH2-CB 3.8Å; W53-V66 HydrophobicContact CH2-CG1 4.27Å; W53-V66 HydrophobicContact CH2-CG2 3.77Å; W53-V66 HydrophobicContact CZ2-CB 4.16Å; W53-V66 HydrophobicContact CZ2-CG2 3.64Å; W53-V66 HydrophobicContact CZ3-CB 3.58Å; W53-V66 HydrophobicContact CZ3-CG1 4.2Å; W53-V66 HydrophobicContact CZ3-CG2 4.02Å; V66-R76 WeakPolarHBondContact O-CA 3.44Å; V66-A77 HydrophobicContact CG1-CB 3.81Å; V66-A77 PolarHBondContact N-O 2.87Å; V66-A77 PolarHBondContact O-N 2.98Å; V66-A91 HydrophobicContact CG1-CB 4.33Å; V66-L95 HydrophobicContact CG1-CB 4.23Å; V66-L95 HydrophobicContact CG1-CD2 3.89Å; V66-L95 HydrophobicContact CG2-CD2 4.09Å
67L95.1Very high91.4Very high41 Ų4138.1 Ų38.122%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-103116167-177.867.8000107.7Y51 Q52 Y54 A74 L75 R76Y51-L67 CarbonylContact C-O 3.5Å; Y51-L67 WeakPolarHBondContact CA-O 3.49Å; Q52-L67 HydrophobicContact CB-CB 4.43Å; Q52-L67 PolarHBondContact N-O 2.81Å; Q52-L67 PolarHBondContact O-N 3.36Å; Y54-L67 HydrophobicContact CE2-CB 4.16Å; L67-A74 HydrophobicContact CD1-CB 4.12Å; L67-L75 CarbonylContact C-O 3.52Å; L67-L75 WeakPolarHBondContact CA-O 3.4Å; L67-R76 HydrophobicContact CD1-CB 4.23Å
68M95.2Very high91.4Very high0 Ų034.5 Ų34.50%022%0.223CC..EExtended strand (participates in β ladder)trans-102.7123.5172.5174.4178.2169.800108.7L41 I49 Y50 Y51 W70 A74 L75 L95 L99L41-M68 HydrophobicContact CD2-CE 4.07Å; I49-M68 HydrophobicContact CD1-CE 3.89Å; I49-M68 HydrophobicContact CG1-CE 4.22Å; I49-M68 HydrophobicContact CG2-CE 3.85Å; I49-M68 HydrophobicContact CG2-CG 4.27Å; Y50-M68 CarbonylContact O-C 3.6Å; Y50-M68 VanDerWaalsContact O-CA 3.31Å; Y50-M68 WeakPolarHBondContact O-CA 3.46Å; Y51-M68 HydrophobicContact CD1-CB 3.77Å; Y51-M68 HydrophobicContact CD1-CG 3.97Å; Y51-M68 HydrophobicContact CE1-CB 3.67Å; Y51-M68 HydrophobicContact CE1-CG 3.46Å; Y51-M68 VanDerWaalsContact CE1-CG 3.46Å; Y51-M68 HydrophobicContact CE1-SD 3.52Å; Y51-M68 VanDerWaalsContact CE1-SD 3.52Å; M68-W70 HydrophobicContact CE-CB 3.98Å; M68-W70 HydrophobicContact CE-CD2 3.84Å; M68-W70 HydrophobicContact CE-CE3 3.22Å; M68-W70 HydrophobicContact CE-CG 4.2Å; M68-W70 HydrophobicContact CE-CZ3 3.88Å; M68-A74 CarbonylContact O-C 3.55Å; M68-A74 VanDerWaalsContact O-CA 3.32Å; M68-A74 WeakPolarHBondContact O-CA 3.32Å; M68-L75 HydrophobicContact CB-CB 4.33Å; M68-L75 PolarHBondContact N-O 3.34Å; M68-L75 PolarHBondContact O-N 3.42Å; M68-L75 HydrophobicContact SD-CD1 4.26Å; M68-L95 HydrophobicContact CB-CD2 3.93Å; M68-L95 HydrophobicContact SD-CD1 4.2Å; M68-L95 HydrophobicContact SD-CD2 4.01Å; M68-L95 HydrophobicContact SD-CG 4.42Å; M68-L99 HydrophobicContact CE-CD1 4.39Å; M68-L99 HydrophobicContact CE-CD2 4.47Å; M68-L99 HydrophobicContact SD-CD1 4.02Å; M68-L99 HydrophobicContact SD-CD2 4.46Å
69V93.5Very high91.7Very high30 Ų3032.6 Ų32.618%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-101.9126.6168.8-179.20000107.4I6 I49 Y50 T73I6-V69 HydrophobicContact CD1-CG2 4.27Å; I49-V69 CarbonylContact C-O 3.57Å; I49-V69 VanDerWaalsContact CA-O 3.28Å; I49-V69 WeakPolarHBondContact CA-O 3.28Å; Y50-V69 PolarHBondContact N-O 3.06Å; Y50-V69 PolarHBondContact O-N 2.87Å; V69-T73 WeakPolarHBondContact CA-O 3.38Å
70W92Very high92.2Very high54 Ų5428 Ų2821%0.20517%0.171CC..EExtended strand (participates in β ladder)trans-131.6101.2175.1-167.5-9.5000109.2L41 H45 L48 I49 M68 S72 T73 L99 W104L41-W70 HydrophobicContact CD1-CH2 4.28Å; L41-W70 HydrophobicContact CD2-CZ3 4.31Å; H45-W70 AromaticContact CD2-CZ2 3.82Å; H45-W70 AromaticContact CE1-CZ2 3.95Å; H45-W70 AromaticContact NE2-CZ2 3.72Å; L48-W70 WeakPolarHBondContact O-CA 3.43Å; I49-W70 HydrophobicContact CD1-CD2 3.66Å; I49-W70 HydrophobicContact CD1-CE3 4.05Å; I49-W70 HydrophobicContact CD1-CG 4.05Å; I49-W70 HydrophobicContact CD1-CH2 4.2Å; I49-W70 HydrophobicContact CD1-CZ2 3.87Å; I49-W70 HydrophobicContact CD1-CZ3 4.28Å; I49-W70 HydrophobicContact CG1-CB 4.18Å; I49-W70 HydrophobicContact CG1-CD2 3.82Å; I49-W70 HydrophobicContact CG1-CG 3.64Å; M68-W70 HydrophobicContact CE-CB 3.98Å; M68-W70 HydrophobicContact CE-CD2 3.84Å; M68-W70 HydrophobicContact CE-CE3 3.22Å; M68-W70 HydrophobicContact CE-CG 4.2Å; M68-W70 HydrophobicContact CE-CZ3 3.88Å; W70-S72 PolarHBondContact O-N 3.49Å; W70-T73 PolarHBondContact N-O 3Å; W70-T73 PolarHBondContact O-N 3.34Å; W70-T73 VanDerWaalsContact O-N 3.09Å; W70-L99 HydrophobicContact CZ3-CD2 4.31Å; W70-W104 HydrophobicContact CE3-CE3 4.05Å; W70-W104 HydrophobicContact CZ3-CB 4.11Å; W70-W104 HydrophobicContact CZ3-CE3 4.13Å
71G86.6Confident92.6Very high20 Ų2024.7 Ų24.721%0.20614%0.137CC..THydrogen-bonded Turntrans60.4-120.6-172.500000111.3L48L48-G71 PolarHBondContact O-N 3.34Å; L48-G71 VanDerWaalsContact O-N 3.14Å
72S87.8Confident92.6Very high53 Ų5327.9 Ų27.937%0.37115%0.152SC..THydrogen-bonded Turntrans-92.54.8177.964.90000114.2L5 I6 T7 Q8 W70L5-S72 WeakPolarHBondContact O-CB 3.19Å; I6-S72 CarbonylContact C-O 3.38Å; I6-S72 WeakPolarHBondContact CA-O 3.39Å; T7-S72 PolarHBondContact N-O 3.31Å; T7-S72 WeakPolarHBondContact OG1-CB 3.38Å; T7-S72 PolarHBondContact OG1-O 3.46Å; T7-S72 PolarHBondContact OG1-OG 2.74Å; Q8-S72 PolarHBondContact N-O 2.75Å; W70-S72 PolarHBondContact O-N 3.49Å
73T90.8Very high92.6Very high22 Ų2229.1 Ų29.114%0.13516%0.161CC..EExtended strand (participates in β ladder)trans-108.2132.7-179.5-58.60000110.7Q8 I10 V69 W70 L75 W104Q8-T73 HydrophobicContact CB-CG2 4.41Å; Q8-T73 CarbonylContact O-C 3.54Å; Q8-T73 WeakPolarHBondContact O-CA 3.45Å; I10-T73 HydrophobicContact CD1-CG2 4.4Å; V69-T73 WeakPolarHBondContact CA-O 3.38Å; W70-T73 PolarHBondContact N-O 3Å; W70-T73 PolarHBondContact O-N 3.34Å; W70-T73 VanDerWaalsContact O-N 3.09Å; T73-L75 HydrophobicContact CG2-CD2 4.04Å; T73-W104 HydrophobicContact CG2-CH2 4.44Å
74A92.9Very high92.6Very high3 Ų330.5 Ų30.53%0.02518%0.175CC..EExtended strand (participates in β ladder)trans-107.9130.4168.500000110.2I6 Q8 C9 I10 L67 M68I6-A74 HydrophobicContact CD1-CB 4.23Å; I6-A74 HydrophobicContact CG2-CB 3.85Å; Q8-A74 PolarHBondContact O-N 3.23Å; C9-A74 CarbonylContact C-O 3.55Å; C9-A74 WeakPolarHBondContact CA-O 3.33Å; I10-A74 PolarHBondContact N-O 3Å; L67-A74 HydrophobicContact CD1-CB 4.12Å; M68-A74 CarbonylContact O-C 3.55Å; M68-A74 VanDerWaalsContact O-CA 3.32Å; M68-A74 WeakPolarHBondContact O-CA 3.32Å
75L94Very high92.5Very high1 Ų139.4 Ų39.41%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-112.7131172.2-55.6178.6000108.8I10 I12 L67 M68 T73 L95 F98 L99 W104I10-L75 HydrophobicContact CB-CD2 3.7Å; I10-L75 HydrophobicContact CD1-CD2 3.76Å; I10-L75 HydrophobicContact CG1-CD2 4.02Å; I10-L75 HydrophobicContact CG2-CD2 4.38Å; I10-L75 CarbonylContact O-C 3.58Å; I10-L75 WeakPolarHBondContact O-CA 3.46Å; I12-L75 HydrophobicContact CD1-CB 4.29Å; L67-L75 CarbonylContact C-O 3.52Å; L67-L75 WeakPolarHBondContact CA-O 3.4Å; M68-L75 HydrophobicContact CB-CB 4.33Å; M68-L75 PolarHBondContact N-O 3.34Å; M68-L75 PolarHBondContact O-N 3.42Å; M68-L75 HydrophobicContact SD-CD1 4.26Å; T73-L75 HydrophobicContact CG2-CD2 4.04Å; L75-L95 HydrophobicContact CB-CD1 4.05Å; L75-L95 HydrophobicContact CD1-CD1 3.93Å; L75-F98 HydrophobicContact CD1-CD1 4.32Å; L75-F98 HydrophobicContact CD1-CE1 4.27Å; L75-F98 HydrophobicContact CD2-CE1 4.04Å; L75-L99 HydrophobicContact CD1-CD2 3.65Å; L75-W104 HydrophobicContact CD1-CE3 4.27Å; L75-W104 HydrophobicContact CD1-CZ3 3.82Å; L75-W104 HydrophobicContact CD2-CH2 4.43Å; L75-W104 HydrophobicContact CD2-CZ3 4.18Å; L75-W104 HydrophobicContact CG-CZ3 4.36Å
76R94.2Very high92.4Very high108 Ų10841.9 Ų41.941%0.40822%0.221SC..EExtended strand (participates in β ladder)trans-116.5126173.8-175.8177.7174.5175.4-3.6110.1I10 I12 V66 L67I10-R76 PolarHBondContact O-N 3.19Å; I12-R76 WeakPolarHBondContact CB-O 3.32Å; I12-R76 PolarHBondContact N-O 3.32Å; V66-R76 WeakPolarHBondContact O-CA 3.44Å; L67-R76 HydrophobicContact CD1-CB 4.23Å
77A93.9Very high92.2Very high1 Ų141.9 Ų41.91%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-119.4146.616700000109.9I12 S65 V66 I94 L95I12-A77 HydrophobicContact CB-CB 4.43Å; I12-A77 HydrophobicContact CD1-CB 4.18Å; S65-A77 CarbonylContact C-O 3.58Å; S65-A77 VanDerWaalsContact CA-O 3.31Å; S65-A77 WeakPolarHBondContact CA-O 3.44Å; V66-A77 HydrophobicContact CG1-CB 3.81Å; V66-A77 PolarHBondContact N-O 2.87Å; V66-A77 PolarHBondContact O-N 2.98Å; A77-I94 HydrophobicContact CB-CB 4.28Å; A77-I94 HydrophobicContact CB-CG2 3.91Å; A77-L95 HydrophobicContact CB-CB 4.01Å
78Q93.3Very high92.2Very high41 Ų4144 Ų4419%0.19223%0.229CC..EExtended strand (participates in β ladder)trans-143.4140.5-178.6177.7174-34.400110I14 T63 C64 S65I14-Q78 HydrophobicContact CG1-CB 4.47Å; T63-Q78 HydrophobicContact CG2-CG 3.59Å; C64-Q78 VanDerWaalsContact O-CA 3.32Å; C64-Q78 WeakPolarHBondContact O-CA 3.32Å; S65-Q78 WeakPolarHBondContact OG-CG 3.45Å; S65-Q78 PolarHBondContact OG-OE1 3.11Å; S65-Q78 VanDerWaalsContact OG-OE1 3.09Å
79A93.2Very high92.1Very high0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-143.9152.6175.400000111.3T63 C64 F90 A91 I94T63-A79 CarbonylContact C-O 3.57Å; T63-A79 WeakPolarHBondContact CA-O 3.16Å; C64-A79 PolarHBondContact N-O 3.28Å; C64-A79 PolarHBondContact O-N 2.84Å; A79-F90 HydrophobicContact CB-CB 3.39Å; A79-F90 HydrophobicContact CB-CG 4.49Å; A79-A91 HydrophobicContact CB-CB 4.2Å; A79-I94 HydrophobicContact CB-CD1 3.82Å
80S91.2Very high92.1Very high39 Ų3945 Ų4527%0.27323%0.231SC..EExtended strand (participates in β ladder)trans-116.7143.4176.8-57.60000110.9F17 V62 T63F17-S80 WeakPolarHBondContact CD2-O 3.24Å; V62-S80 CarbonylContact O-C 3.57Å; V62-S80 VanDerWaalsContact O-CA 3.24Å; V62-S80 WeakPolarHBondContact O-CA 3.18Å; T63-S80 PolarHBondContact OG1-OG 2.8Å
81A91.7Very high92.2Very high2 Ų242.4 Ų42.42%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-154.5176.8177.900000111.6F17 V62 S83 D86 A87 F90F17-A81 HydrophobicContact CE2-CB 4.35Å; V62-A81 PolarHBondContact N-O 3.43Å; V62-A81 PolarHBondContact O-N 2.91Å; A81-S83 VanDerWaalsContact C-N 3.28Å; A81-S83 PolarHBondContact O-N 3.32Å; A81-D86 HydrophobicContact CB-CB 3.75Å; A81-A87 HydrophobicContact CB-CB 3.95Å; A81-F90 HydrophobicContact CB-CD2 4.07Å; A81-F90 HydrophobicContact CB-CE2 3.84Å
82N89.8Confident92.6Very high130 Ų13041.4 Ų41.470%0.69521%0.211SC*.SBendtrans-77.4-14.4177.5-61-19000112.8
83S92.1Very high92.9Very high38 Ų3839.1 Ų39.127%0.26619%0.194SC..SBendtrans-135.5151.6178.985.90000111.6A81 R85 D86 A87A81-S83 VanDerWaalsContact C-N 3.28Å; A81-S83 PolarHBondContact O-N 3.32Å; S83-R85 PolarHBondContact O-N 2.73Å; S83-D86 PolarHBondContact O-N 2.96Å; S83-D86 WeakPolarHBondContact OG-CB 3.4Å; S83-D86 PolarHBondContact OG-N 2.89Å; S83-D86 VanDerWaalsContact OG-N 3.08Å; S83-D86 PolarHBondContact OG-OD2 3.38Å; S83-A87 WeakPolarHBondContact O-CB 3.33Å; S83-A87 PolarHBondContact O-N 3.39Å
84A92.1Very high92.9Very high50 Ų5038.5 Ų38.541%0.41319%0.19SC..Hα-helixtrans-62.7-32.9175.700000112.5T55 V62 K88T55-A84 HydrophobicContact CG2-CB 4.23Å; V62-A84 HydrophobicContact CG1-CB 3.89Å; A84-K88 WeakPolarHBondContact O-CB 3.23Å; A84-K88 PolarHBondContact O-N 3.29Å; A84-K88 VanDerWaalsContact O-N 3.09Å
85R93.1Very high93Very high186 Ų18638.4 Ų38.470%0.70219%0.189SC*.Hα-helixtrans-63.4-52177.1-178.5178.9179.8179.1-0.3110.5S83 K88 H89S83-R85 PolarHBondContact O-N 2.73Å; R85-K88 PolarHBondContact O-N 3.05Å; R85-H89 PolarHBondContact O-CD2 3.22Å; R85-H89 VanDerWaalsContact O-CD2 3.31Å; R85-H89 PolarHBondContact O-N 2.9Å
86D91.6Very high92.9Very high60 Ų6038.3 Ų38.332%0.32119%0.189SC..Hα-helixtrans-68-42-177.2-57.1-34000111A81 S83 K88 H89 F90A81-D86 HydrophobicContact CB-CB 3.75Å; S83-D86 PolarHBondContact O-N 2.96Å; S83-D86 WeakPolarHBondContact OG-CB 3.4Å; S83-D86 PolarHBondContact OG-N 2.89Å; S83-D86 VanDerWaalsContact OG-N 3.08Å; S83-D86 PolarHBondContact OG-OD2 3.38Å; D86-K88 PolarHBondContact O-N 3.43Å; D86-H89 PolarHBondContact O-N 2.84Å; D86-H89 VanDerWaalsContact O-N 3.11Å; D86-F90 HydrophobicContact CB-CE1 4.47Å; D86-F90 HydrophobicContact CB-CZ 4.27Å; D86-F90 WeakPolarHBondContact O-CD1 3.36Å; D86-F90 VanDerWaalsContact O-CG 3.27Å; D86-F90 WeakPolarHBondContact O-CG 3.33Å; D86-F90 PolarHBondContact O-N 2.89Å
87A92.7Very high92.8Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-57.6-40.3176.400000111.5V62 C64 A81 S83 A91V62-A87 HydrophobicContact CG1-CB 4.28Å; C64-A87 VanDerWaalsContact CB-C 3.47Å; C64-A87 HydrophobicContact CB-CB 3.7Å; C64-A87 WeakPolarHBondContact CB-O 3.27Å; A81-A87 HydrophobicContact CB-CB 3.95Å; S83-A87 WeakPolarHBondContact O-CB 3.33Å; S83-A87 PolarHBondContact O-N 3.39Å; A87-A91 WeakPolarHBondContact O-CB 3.35Å; A87-A91 PolarHBondContact O-N 2.98Å
88K95Very high92.6Very high87 Ų8738.9 Ų38.938%0.37820%0.195SC..Hα-helixtrans-67.7-42176.4-172.1175.2-176.7176.20112.4L35 W53 C64 A84 R85 D86 A92L35-K88 HydrophobicContact CD2-CG 4.38Å; W53-K88 HydrophobicContact CE3-CD 4.4Å; W53-K88 HydrophobicContact CE3-CG 3.85Å; W53-K88 HydrophobicContact CH2-CG 4.39Å; W53-K88 HydrophobicContact CZ3-CG 3.67Å; C64-K88 HydrophobicContact CB-CB 4.46Å; A84-K88 WeakPolarHBondContact O-CB 3.23Å; A84-K88 PolarHBondContact O-N 3.29Å; A84-K88 VanDerWaalsContact O-N 3.09Å; R85-K88 PolarHBondContact O-N 3.05Å; D86-K88 PolarHBondContact O-N 3.43Å; K88-A92 WeakPolarHBondContact O-CB 3.36Å; K88-A92 PolarHBondContact O-N 3.42Å
89H93.6Very high92.5Very high39 Ų3937 Ų3718%0.18119%0.186CC..Hα-helixtrans-60.4-49.6174.5-88.4-80.7000111.3R85 D86 A91 A92 E93R85-H89 PolarHBondContact O-CD2 3.22Å; R85-H89 VanDerWaalsContact O-CD2 3.31Å; R85-H89 PolarHBondContact O-N 2.9Å; D86-H89 PolarHBondContact O-N 2.84Å; D86-H89 VanDerWaalsContact O-N 3.11Å; H89-A91 PolarHBondContact O-N 3.4Å; H89-A92 WeakPolarHBondContact O-CB 3.37Å; H89-A92 PolarHBondContact O-N 2.88Å; H89-A92 VanDerWaalsContact O-N 3.15Å; H89-E93 WeakPolarHBondContact O-CB 3.45Å; H89-E93 VanDerWaalsContact O-CG 3.23Å; H89-E93 WeakPolarHBondContact O-CG 3.38Å; H89-E93 PolarHBondContact O-N 3.1Å
90F93.2Very high92.3Very high10 Ų1040.4 Ų40.44%0.04420%0.202CC..Hα-helixtrans-60.6-45.1180-64.4-5.5000111.6F17 H24 A79 A81 D86 A92 E93 I94F17-F90 HydrophobicContact CD2-CE2 4.39Å; F17-F90 HydrophobicContact CE2-CE2 4.03Å; H24-F90 HydrophobicContact CB-CD1 3.78Å; H24-F90 HydrophobicContact CB-CE1 3.48Å; H24-F90 VanDerWaalsContact CB-CE1 3.48Å; H24-F90 HydrophobicContact CB-CZ 4.46Å; H24-F90 AromaticContact CD2-CE1 3.81Å; H24-F90 AromaticContact CG-CD1 3.86Å; H24-F90 AromaticContact CG-CE1 3.41Å; H24-F90 VanDerWaalsContact CG-CE1 3.41Å; H24-F90 AromaticContact ND1-CD1 3.9Å; H24-F90 AromaticContact ND1-CE1 3.78Å; A79-F90 HydrophobicContact CB-CB 3.39Å; A79-F90 HydrophobicContact CB-CG 4.49Å; A81-F90 HydrophobicContact CB-CD2 4.07Å; A81-F90 HydrophobicContact CB-CE2 3.84Å; D86-F90 HydrophobicContact CB-CE1 4.47Å; D86-F90 HydrophobicContact CB-CZ 4.27Å; D86-F90 WeakPolarHBondContact O-CD1 3.36Å; D86-F90 VanDerWaalsContact O-CG 3.27Å; D86-F90 WeakPolarHBondContact O-CG 3.33Å; D86-F90 PolarHBondContact O-N 2.89Å; F90-A92 VanDerWaalsContact C-N 3.3Å; F90-A92 PolarHBondContact O-N 2.98Å; F90-E93 PolarHBondContact O-N 3.06Å; F90-I94 WeakPolarHBondContact O-CD1 3.44Å; F90-I94 VanDerWaalsContact O-CG1 3.23Å; F90-I94 WeakPolarHBondContact O-CG1 3.49Å; F90-I94 PolarHBondContact O-N 3.01Å
91A93.9Very high92Very high0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-61.2-39.8177.400000112W53 C64 V66 A79 A87 H89 L95W53-A91 HydrophobicContact CZ3-CB 4.42Å; C64-A91 HydrophobicContact CB-CB 4.43Å; V66-A91 HydrophobicContact CG1-CB 4.33Å; A79-A91 HydrophobicContact CB-CB 4.2Å; A87-A91 WeakPolarHBondContact O-CB 3.35Å; A87-A91 PolarHBondContact O-N 2.98Å; H89-A91 PolarHBondContact O-N 3.4Å; A91-L95 PolarHBondContact O-N 3.39Å
92A95Very high91.8Very high0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-64.5-45.1174.900000112A34 L35 L38 W53 K88 H89 F90 L95 V96A34-A92 HydrophobicContact CB-CB 4.08Å; L35-A92 HydrophobicContact CD2-CB 3.56Å; L35-A92 HydrophobicContact CG-CB 3.93Å; L38-A92 HydrophobicContact CD1-CB 3.87Å; W53-A92 HydrophobicContact CH2-CB 3.89Å; K88-A92 WeakPolarHBondContact O-CB 3.36Å; K88-A92 PolarHBondContact O-N 3.42Å; H89-A92 WeakPolarHBondContact O-CB 3.37Å; H89-A92 PolarHBondContact O-N 2.88Å; H89-A92 VanDerWaalsContact O-N 3.15Å; F90-A92 VanDerWaalsContact C-N 3.3Å; F90-A92 PolarHBondContact O-N 2.98Å; A92-L95 PolarHBondContact O-N 2.87Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.01Å
93E93.3Very high91.7Very high4 Ų443.8 Ų43.82%0.01923%0.233CC..Hα-helixtrans-65-40.4-178.1-72158.2-17300111.9L23 H24 Y27 A34 H89 F90 L95 V96 H97L23-E93 HydrophobicContact CD2-CB 4.14Å; L23-E93 HydrophobicContact CG-CB 4.36Å; H24-E93 WeakPolarHBondContact CA-OE2 3.35Å; H24-E93 VanDerWaalsContact CB-OE2 3.27Å; H24-E93 WeakPolarHBondContact CB-OE2 2.92Å; H24-E93 IonicContact CE1-OE1 3.74Å; H24-E93 PolarHBondContact CE1-OE1 3.29Å; H24-E93 IonicContact CG-OE1 3.87Å; H24-E93 IonicContact CG-OE2 3.52Å; H24-E93 IonicContact ND1-OE1 2.73Å; H24-E93 PolarHBondContact ND1-OE1 3.09Å; H24-E93 IonicContact ND1-OE2 3.01Å; H24-E93 PolarHBondContact ND1-OE2 2.81Å; Y27-E93 HydrophobicContact CD1-CG 4.41Å; Y27-E93 HydrophobicContact CD2-CB 4.04Å; Y27-E93 HydrophobicContact CD2-CG 4.04Å; Y27-E93 HydrophobicContact CE2-CB 4.38Å; Y27-E93 HydrophobicContact CG-CB 4.35Å; Y27-E93 HydrophobicContact CG-CG 3.85Å; A34-E93 HydrophobicContact CB-CB 4.31Å; A34-E93 HydrophobicContact CB-CG 3.58Å; H89-E93 WeakPolarHBondContact O-CB 3.45Å; H89-E93 VanDerWaalsContact O-CG 3.23Å; H89-E93 WeakPolarHBondContact O-CG 3.38Å; H89-E93 PolarHBondContact O-N 3.1Å; F90-E93 PolarHBondContact O-N 3.06Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.82Å; E93-V96 PolarHBondContact O-N 2.97Å; E93-H97 WeakPolarHBondContact O-CB 3.47Å; E93-H97 PolarHBondContact O-N 2.78Å
94I92.2Very high91.7Very high10 Ų1046.2 Ų46.25%0.05124%0.236CC..Hα-helixtrans-59.7-46.6173.2-67.5157.8000110.6I12 P15 L23 A77 A79 F90 H97 F98I12-I94 HydrophobicContact CB-CG2 4.37Å; I12-I94 HydrophobicContact CG2-CG2 3.54Å; P15-I94 HydrophobicContact CG-CD1 3.29Å; P15-I94 HydrophobicContact CG-CG1 3.73Å; L23-I94 HydrophobicContact CD2-CG1 4.07Å; A77-I94 HydrophobicContact CB-CB 4.28Å; A77-I94 HydrophobicContact CB-CG2 3.91Å; A79-I94 HydrophobicContact CB-CD1 3.82Å; F90-I94 WeakPolarHBondContact O-CD1 3.44Å; F90-I94 VanDerWaalsContact O-CG1 3.23Å; F90-I94 WeakPolarHBondContact O-CG1 3.49Å; F90-I94 PolarHBondContact O-N 3.01Å; I94-H97 PolarHBondContact O-N 3.13Å; I94-F98 WeakPolarHBondContact O-CB 3.16Å; I94-F98 PolarHBondContact O-N 3.02Å
95L93.6Very high91.6Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-63.3-49179178.759.3000111.4I12 L38 Y51 V66 M68 L75 A77 A91 A92 E93 H97 F98 L99I12-L95 HydrophobicContact CD1-CD1 3.58Å; L38-L95 HydrophobicContact CD1-CD2 4.1Å; L38-L95 HydrophobicContact CD2-CD2 3.84Å; L38-L95 HydrophobicContact CD2-CG 4.11Å; Y51-L95 HydrophobicContact CD1-CD2 4.4Å; Y51-L95 HydrophobicContact CE1-CD2 3.93Å; V66-L95 HydrophobicContact CG1-CB 4.23Å; V66-L95 HydrophobicContact CG1-CD2 3.89Å; V66-L95 HydrophobicContact CG2-CD2 4.09Å; M68-L95 HydrophobicContact CB-CD2 3.93Å; M68-L95 HydrophobicContact SD-CD1 4.2Å; M68-L95 HydrophobicContact SD-CD2 4.01Å; M68-L95 HydrophobicContact SD-CG 4.42Å; L75-L95 HydrophobicContact CB-CD1 4.05Å; L75-L95 HydrophobicContact CD1-CD1 3.93Å; A77-L95 HydrophobicContact CB-CB 4.01Å; A91-L95 PolarHBondContact O-N 3.39Å; A92-L95 PolarHBondContact O-N 2.87Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.82Å; L95-H97 VanDerWaalsContact C-N 3.32Å; L95-H97 PolarHBondContact O-N 3.24Å; L95-F98 PolarHBondContact O-N 3.47Å; L95-L99 HydrophobicContact CD1-CD1 4.35Å; L95-L99 HydrophobicContact CD1-CG 4.3Å; L95-L99 HydrophobicContact CG-CD1 4.2Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.35Å; L95-L99 PolarHBondContact O-N 3Å
96V93.1Very high91.4Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-62.9-40.8178.8176.10000110.9Y27 A34 V37 L38 A92 E93 F98 L99 H100 L105 P111Y27-V96 HydrophobicContact CE1-CB 4.35Å; Y27-V96 HydrophobicContact CE1-CG1 3.82Å; Y27-V96 WeakPolarHBondContact OH-CG1 3.47Å; A34-V96 HydrophobicContact CB-CB 4.19Å; A34-V96 HydrophobicContact CB-CG2 3.82Å; V37-V96 HydrophobicContact CB-CG1 4.34Å; V37-V96 HydrophobicContact CB-CG2 4.25Å; V37-V96 HydrophobicContact CG1-CG1 3.86Å; V37-V96 HydrophobicContact CG1-CG2 4.12Å; L38-V96 HydrophobicContact CD1-CG2 4.29Å; L38-V96 HydrophobicContact CD2-CG2 3.55Å; L38-V96 HydrophobicContact CG-CG2 3.61Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.01Å; E93-V96 PolarHBondContact O-N 2.97Å; V96-F98 PolarHBondContact O-N 3.01Å; V96-L99 PolarHBondContact O-N 3.12Å; V96-H100 WeakPolarHBondContact O-CB 3.45Å; V96-H100 PolarHBondContact O-N 3.31Å; V96-L105 HydrophobicContact CG1-CD1 3.76Å; V96-P111 HydrophobicContact CG1-CG 4.48Å
97H90.2Very high91.2Very high79 Ų7938.9 Ų38.937%0.36621%0.212SC..Hα-helixtrans-63.2-42.8176.9-173.373.1000111.8L23 Y27 E93 I94 L95 H100 C101L23-H97 HydrophobicContact CD1-CB 4.2Å; L23-H97 HydrophobicContact CD2-CB 4.06Å; Y27-H97 HydrophobicContact CE2-CB 4.11Å; Y27-H97 VanDerWaalsContact OH-CA 3.27Å; Y27-H97 WeakPolarHBondContact OH-CA 3.07Å; Y27-H97 PolarHBondContact OH-N 3.35Å; Y27-H97 VanDerWaalsContact OH-N 3.16Å; E93-H97 WeakPolarHBondContact O-CB 3.47Å; E93-H97 PolarHBondContact O-N 2.78Å; I94-H97 PolarHBondContact O-N 3.13Å; L95-H97 VanDerWaalsContact C-N 3.32Å; L95-H97 PolarHBondContact O-N 3.24Å; H97-H100 WeakPolarHBondContact O-CB 3.28Å; H97-H100 PolarHBondContact O-N 2.99Å; H97-C101 PolarHBondContact O-N 2.9Å; H97-C101 PolarHBondContact O-SG 2.88Å
98F90.3Very high91Very high42 Ų4245.2 Ų45.218%0.18424%0.239CC..Hα-helixtrans-59.5-50.1173.4178.7-92.5000111.4I10 I12 L75 I94 L95 V96 H100 C101 Q102I10-F98 HydrophobicContact CG2-CZ 4.26Å; I12-F98 HydrophobicContact CD1-CB 3.76Å; I12-F98 HydrophobicContact CD1-CD1 3.76Å; I12-F98 HydrophobicContact CD1-CD2 4.35Å; I12-F98 HydrophobicContact CD1-CE1 4.48Å; I12-F98 HydrophobicContact CD1-CG 3.69Å; I12-F98 HydrophobicContact CG1-CB 4.24Å; I12-F98 HydrophobicContact CG1-CD1 4.1Å; I12-F98 HydrophobicContact CG1-CD2 3.98Å; I12-F98 HydrophobicContact CG1-CE1 4.49Å; I12-F98 HydrophobicContact CG1-CE2 4.37Å; I12-F98 HydrophobicContact CG1-CG 3.83Å; I12-F98 HydrophobicContact CG2-CB 4.03Å; I12-F98 HydrophobicContact CG2-CD2 4.05Å; I12-F98 HydrophobicContact CG2-CG 4.22Å; L75-F98 HydrophobicContact CD1-CD1 4.32Å; L75-F98 HydrophobicContact CD1-CE1 4.27Å; L75-F98 HydrophobicContact CD2-CE1 4.04Å; I94-F98 WeakPolarHBondContact O-CB 3.16Å; I94-F98 PolarHBondContact O-N 3.02Å; L95-F98 PolarHBondContact O-N 3.47Å; V96-F98 PolarHBondContact O-N 3.01Å; F98-H100 VanDerWaalsContact C-N 3.25Å; F98-H100 PolarHBondContact O-N 2.67Å; F98-C101 PolarHBondContact O-N 2.69Å; F98-Q102 HydrophobicContact CD1-CG 4.07Å; F98-Q102 HydrophobicContact CD2-CG 4.41Å; F98-Q102 HydrophobicContact CE1-CG 3.63Å; F98-Q102 HydrophobicContact CE2-CG 4Å; F98-Q102 HydrophobicContact CG-CG 4.44Å; F98-Q102 HydrophobicContact CZ-CG 3.59Å; F98-Q102 WeakPolarHBondContact O-CG 3.27Å; F98-Q102 PolarHBondContact O-N 2.91Å
99L91.4Very high90.8Very high0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-58.7-38.7178.5-67.1172.5000111.9L38 L41 M68 W70 L75 L95 V96 G103 W104 L105L38-L99 HydrophobicContact CD2-CD1 4.21Å; L41-L99 HydrophobicContact CD2-CD1 3.83Å; M68-L99 HydrophobicContact CE-CD1 4.39Å; M68-L99 HydrophobicContact CE-CD2 4.47Å; M68-L99 HydrophobicContact SD-CD1 4.02Å; M68-L99 HydrophobicContact SD-CD2 4.46Å; W70-L99 HydrophobicContact CZ3-CD2 4.31Å; L75-L99 HydrophobicContact CD1-CD2 3.65Å; L95-L99 HydrophobicContact CD1-CD1 4.35Å; L95-L99 HydrophobicContact CD1-CG 4.3Å; L95-L99 HydrophobicContact CG-CD1 4.2Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.35Å; L95-L99 PolarHBondContact O-N 3Å; V96-L99 PolarHBondContact O-N 3.12Å; L99-G103 PolarHBondContact O-N 3.41Å; L99-W104 HydrophobicContact CB-CB 4.44Å; L99-W104 HydrophobicContact CD2-CB 4.05Å; L99-W104 HydrophobicContact CD2-CD2 4.28Å; L99-W104 HydrophobicContact CD2-CE3 3.57Å; L99-W104 HydrophobicContact CD2-CZ3 4.39Å; L99-W104 PolarHBondContact O-N 3.13Å; L99-L105 HydrophobicContact CB-CD1 4.36Å; L99-L105 HydrophobicContact CB-CD2 3.96Å; L99-L105 HydrophobicContact CB-CG 3.78Å; L99-L105 HydrophobicContact CD1-CD2 4.17Å
100H89.3Confident90.4Very high73 Ų7342.3 Ų42.334%0.33823%0.229SC..Hα-helixtrans-61.7-52.9174.5177.1-138.8000111.5V96 H97 F98 Q102 G103 L105 L110 P111V96-H100 WeakPolarHBondContact O-CB 3.45Å; V96-H100 PolarHBondContact O-N 3.31Å; H97-H100 WeakPolarHBondContact O-CB 3.28Å; H97-H100 PolarHBondContact O-N 2.99Å; F98-H100 VanDerWaalsContact C-N 3.25Å; F98-H100 PolarHBondContact O-N 2.67Å; H100-Q102 PolarHBondContact O-N 3.26Å; H100-G103 PolarHBondContact O-N 2.98Å; H100-L105 HydrophobicContact CB-CD1 3.83Å; H100-L110 WeakPolarHBondContact CD2-CD2 3.23Å; H100-P111 HydrophobicContact CB-CG 4.43Å
101C85.4Confident89.7Confident78 Ų7843.4 Ų43.453%0.52724%0.237SC..Hα-helixtrans-64.2-28.6-178.3-67.50000113H97 F98 G103H97-C101 PolarHBondContact O-N 2.9Å; H97-C101 PolarHBondContact O-SG 2.88Å; F98-C101 PolarHBondContact O-N 2.69Å; C101-G103 VanDerWaalsContact C-N 3.3Å
102Q87.9Confident88.7Confident102 Ų10248.2 Ų48.248%0.47726%0.259SS..THydrogen-bonded Turntrans-82.1-5.1173.3-62.3-53.9-56.700113.5F98 H100 W104F98-Q102 HydrophobicContact CD1-CG 4.07Å; F98-Q102 HydrophobicContact CD2-CG 4.41Å; F98-Q102 HydrophobicContact CE1-CG 3.63Å; F98-Q102 HydrophobicContact CE2-CG 4Å; F98-Q102 HydrophobicContact CG-CG 4.44Å; F98-Q102 HydrophobicContact CZ-CG 3.59Å; F98-Q102 WeakPolarHBondContact O-CG 3.27Å; F98-Q102 PolarHBondContact O-N 2.91Å; H100-Q102 PolarHBondContact O-N 3.26Å; Q102-W104 VanDerWaalsContact C-N 3.3Å; Q102-W104 HydrophobicContact CB-CD2 4.22Å; Q102-W104 HydrophobicContact CB-CG 3.99Å; Q102-W104 PolarHBondContact O-N 3.35Å
103G87.1Confident87.3Confident61 Ų6151.8 Ų51.863%0.62928%0.281SS*.THydrogen-bonded Turntrans72.220.3-176.800000114.1L99 H100 C101L99-G103 PolarHBondContact O-N 3.41Å; H100-G103 PolarHBondContact O-N 2.98Å; C101-G103 VanDerWaalsContact C-N 3.3Å
104W90.9Very high85.8Confident89 Ų8955.3 Ų55.334%0.33730%0.298SS..  trans-87.6-12.8-177.2-65.29.5000112.9W70 T73 L75 L99 Q102W70-W104 HydrophobicContact CE3-CE3 4.05Å; W70-W104 HydrophobicContact CZ3-CB 4.11Å; W70-W104 HydrophobicContact CZ3-CE3 4.13Å; T73-W104 HydrophobicContact CG2-CH2 4.44Å; L75-W104 HydrophobicContact CD1-CE3 4.27Å; L75-W104 HydrophobicContact CD1-CZ3 3.82Å; L75-W104 HydrophobicContact CD2-CH2 4.43Å; L75-W104 HydrophobicContact CD2-CZ3 4.18Å; L75-W104 HydrophobicContact CG-CZ3 4.36Å; L99-W104 HydrophobicContact CB-CB 4.44Å; L99-W104 HydrophobicContact CD2-CB 4.05Å; L99-W104 HydrophobicContact CD2-CD2 4.28Å; L99-W104 HydrophobicContact CD2-CE3 3.57Å; L99-W104 HydrophobicContact CD2-CZ3 4.39Å; L99-W104 PolarHBondContact O-N 3.13Å; Q102-W104 VanDerWaalsContact C-N 3.3Å; Q102-W104 HydrophobicContact CB-CD2 4.22Å; Q102-W104 HydrophobicContact CB-CG 3.99Å; Q102-W104 PolarHBondContact O-N 3.35Å
105L90.3Very high83.9Confident10 Ų1062 Ų625%0.05233%0.329CS..SBendtrans-82.2128.6173.4-68.7178.5000110.5V37 L41 V96 L99 H100 L109 L110V37-L105 HydrophobicContact CG1-CD1 4.47Å; V37-L105 HydrophobicContact CG1-CD2 4.09Å; L41-L105 HydrophobicContact CD2-CD2 4.08Å; V96-L105 HydrophobicContact CG1-CD1 3.76Å; L99-L105 HydrophobicContact CB-CD1 4.36Å; L99-L105 HydrophobicContact CB-CD2 3.96Å; L99-L105 HydrophobicContact CB-CG 3.78Å; L99-L105 HydrophobicContact CD1-CD2 4.17Å; H100-L105 HydrophobicContact CB-CD1 3.83Å; L105-L109 HydrophobicContact CD2-CB 4.49Å; L105-L110 HydrophobicContact CB-CD2 4.1Å
106P90.2Very high81.4Confident32 Ų3267.2 Ų67.221%0.20836%0.361CS..  trans-65.3154.4171.924.2-29.7000110.9M44 K108 L109 L110M44-P106 HydrophobicContact CE-CG 3.42Å; M44-P106 VanDerWaalsContact CE-CG 3.42Å; M44-P106 HydrophobicContact SD-CG 4.07Å; P106-K108 PolarHBondContact O-N 3.44Å; P106-L109 HydrophobicContact CG-CB 4.29Å; P106-L109 HydrophobicContact CG-CD1 4.28Å; P106-L109 HydrophobicContact CG-CG 4.24Å; P106-L109 PolarHBondContact O-N 2.86Å; P106-L110 PolarHBondContact O-N 2.82Å
107P86Confident79.2Confident101 Ų10170.2 Ų70.266%0.65639%0.386SS*.G310 helixtrans-51.8-36.1-170.8-30.835.5000115.6L109 L110P107-L109 PolarHBondContact O-N 3Å; P107-L110 HydrophobicContact CB-CD1 4.45Å; P107-L110 WeakPolarHBondContact O-CG 3.42Å; P107-L110 PolarHBondContact O-N 3.12Å
108K88.3Confident77.4Confident132 Ų13267 Ų6757%0.57437%0.371SS*.G310 helixtrans-72-12.9179.666-178.4-179.4178.50115.1M44 P106M44-K108 HydrophobicContact SD-CD 4.4Å; M44-K108 WeakPolarHBondContact SD-CE 3.31Å; M44-K108 PolarHBondContact SD-NZ 3.32Å; P106-K108 PolarHBondContact O-N 3.44Å
109L90.6Very high76.2Confident1 Ų171.3 Ų71.31%0.00539%0.392CS..G310 helixtrans-109.30.9178.1-73-161.8000112.9V37 E40 L41 M44 L105 P106 P107V37-L109 HydrophobicContact CG1-CB 4.07Å; V37-L109 HydrophobicContact CG1-CD1 4.14Å; V37-L109 HydrophobicContact CG1-CG 4.5Å; E40-L109 HydrophobicContact CB-CD1 4.24Å; E40-L109 HydrophobicContact CB-CD2 3.79Å; E40-L109 HydrophobicContact CG-CD2 4.48Å; E40-L109 WeakPolarHBondContact OE2-CD2 3.39Å; L41-L109 HydrophobicContact CB-CD1 3.79Å; L41-L109 HydrophobicContact CD1-CD1 4.05Å; M44-L109 HydrophobicContact CE-CD1 3.2Å; M44-L109 HydrophobicContact CE-CG 3.82Å; L105-L109 HydrophobicContact CD2-CB 4.49Å; P106-L109 HydrophobicContact CG-CB 4.29Å; P106-L109 HydrophobicContact CG-CD1 4.28Å; P106-L109 HydrophobicContact CG-CG 4.24Å; P106-L109 PolarHBondContact O-N 2.86Å; P107-L109 PolarHBondContact O-N 3Å
110L86.2Confident75.3Confident64 Ų6471.5 Ų71.534%0.33539%0.392SS..SBendtrans-59.3140.8174.5-65.5173.6000109.6H100 L105 P106 P107 Q112H100-L110 WeakPolarHBondContact CD2-CD2 3.23Å; L105-L110 HydrophobicContact CB-CD2 4.1Å; P106-L110 PolarHBondContact O-N 2.82Å; P107-L110 HydrophobicContact CB-CD1 4.45Å; P107-L110 WeakPolarHBondContact O-CG 3.42Å; P107-L110 PolarHBondContact O-N 3.12Å; L110-Q112 PolarHBondContact O-N 3.23Å
111P78.4Confident74.8Confident34 Ų3472.2 Ų72.222%0.22140%0.402CS..  trans-60.997.8174.9-17.729.7000109.6Y27 T30 V96 H100Y27-P111 HydrophobicContact CE1-CB 3.86Å; Y27-P111 HydrophobicContact CE1-CG 3.79Å; Y27-P111 WeakPolarHBondContact OH-CG 3.25Å; T30-P111 HydrophobicContact CG2-CB 3.96Å; V96-P111 HydrophobicContact CG1-CG 4.48Å; H100-P111 HydrophobicContact CB-CG 4.43Å
112Q72.9Confident74.7Confident100 Ų10074.8 Ų74.847%0.46740%0.402SS..  trans-93.3114.5174.5-68.8-179.59.500107.6T30 K31 L110 E114T30-Q112 CarbonylContact C-O 3.48Å; T30-Q112 VanDerWaalsContact CA-O 3.23Å; T30-Q112 WeakPolarHBondContact CA-O 2.94Å; K31-Q112 HydrophobicContact CD-CB 4.46Å; K31-Q112 PolarHBondContact N-O 3.42Å; L110-Q112 PolarHBondContact O-N 3.23Å; Q112-E114 PolarHBondContact O-N 3.31Å
113V66.1Low74.7Confident76 Ų7671.3 Ų71.346%0.46139%0.386SS..BIsolated β-bridgetrans-55.8127.9167-174.40000106.6W29 Q115W29-V113 HydrophobicContact CB-CG1 4.29Å; W29-V113 CarbonylContact O-C 3.54Å; W29-V113 WeakPolarHBondContact O-CA 3.47Å; V113-Q115 PolarHBondContact O-N 3.07Å
114E60.9Low74.8Confident77 Ų7771.6 Ų71.636%0.3638%0.377SS..  trans-67.580176.7-166.1167.1-119.600108.1W29 K31 Q112 T116W29-E114 WeakPolarHBondContact O-CB 3.37Å; W29-E114 PolarHBondContact O-N 3.07Å; K31-E114 HydrophobicContact CG-CB 3.79Å; K31-E114 HydrophobicContact CG-CG 3.83Å; Q112-E114 PolarHBondContact O-N 3.31Å; E114-T116 PolarHBondContact O-N 3.09Å
115Q52.7Low74.8Confident152 Ų15273.5 Ų73.571%0.7138%0.384SS*.G310 helixtrans-63.2-19170.5-69.5-179.2-10.100110.8V113 A117V113-Q115 PolarHBondContact O-N 3.07Å; Q115-A117 VanDerWaalsContact C-N 3.32Å; Q115-A117 PolarHBondContact O-N 2.87Å
116T42.1Very low74.9Confident109 Ų10973 Ų7367%0.66938%0.382SS*.G310 helixtrans-89.517.1-161.3-13.40000114.8K31 E114K31-T116 WeakPolarHBondContact CE-OG1 3.22Å; K31-T116 PolarHBondContact NZ-OG1 3.39Å; E114-T116 PolarHBondContact O-N 3.09Å
117A46.1Very low75Confident63 Ų6372.6 Ų72.652%0.52138%0.379SS..G310 helixtrans-141.323.317000000113.1Q115Q115-A117 VanDerWaalsContact C-N 3.32Å; Q115-A117 PolarHBondContact O-N 2.87Å
118M53.5Low75.3Confident12 Ų1273.9 Ų73.96%0.05938%0.376CS..  trans-119.530.3-168-72.4-170.5175.600114.2W29 F120 E177W29-M118 HydrophobicContact CB-CE 4.43Å; W29-M118 HydrophobicContact CD2-CE 4.23Å; W29-M118 HydrophobicContact CE3-CE 4.03Å; W29-M118 HydrophobicContact CG-CE 4.41Å; M118-F120 PolarHBondContact O-N 3.44Å; M118-E177 HydrophobicContact CB-CB 4.47Å; M118-E177 HydrophobicContact SD-CB 3.82Å; M118-E177 HydrophobicContact SD-CG 4.14Å
119E63.9Low75.6Confident132 Ų13268.2 Ų68.262%0.61735%0.352SS*.SBendtrans-61.6133.7154.4-79-176.2167.100107.6T121 R148 F206E119-T121 PolarHBondContact O-N 3.2Å; E119-R148 PolarHBondContact O-NH2 3.41Å; E119-F206 HydrophobicContact CG-CE1 4.37Å
120F73.4Confident75.7Confident4 Ų469 Ų692%0.01836%0.356CS..  trans-53.8117.7160.6-72.2-79000105.9M118 Y179 I203 F206 M207M118-F120 PolarHBondContact O-N 3.44Å; F120-Y179 HydrophobicContact CD2-CD2 4.27Å; F120-Y179 HydrophobicContact CD2-CE2 4.03Å; F120-Y179 AromaticContact CE2-CD2 3.61Å; F120-Y179 HydrophobicContact CE2-CD2 3.61Å; F120-Y179 AromaticContact CE2-CE2 3.84Å; F120-Y179 HydrophobicContact CE2-CE2 3.84Å; F120-Y179 HydrophobicContact CE2-CG 4.33Å; F120-I203 HydrophobicContact CD1-CB 4.03Å; F120-I203 HydrophobicContact CD1-CD1 4.31Å; F120-I203 HydrophobicContact CD1-CG1 3.83Å; F120-I203 HydrophobicContact CD1-CG2 3.53Å; F120-I203 HydrophobicContact CD2-CG1 4.38Å; F120-I203 HydrophobicContact CE1-CB 4.06Å; F120-I203 HydrophobicContact CE1-CD1 3.52Å; F120-I203 HydrophobicContact CE1-CG1 3.34Å; F120-I203 HydrophobicContact CE1-CG2 3.84Å; F120-I203 HydrophobicContact CE2-CG1 3.92Å; F120-I203 HydrophobicContact CG-CB 4.43Å; F120-I203 HydrophobicContact CG-CG1 4.36Å; F120-I203 HydrophobicContact CG-CG2 4.2Å; F120-I203 HydrophobicContact CZ-CB 4.45Å; F120-I203 HydrophobicContact CZ-CD1 3.79Å; F120-I203 HydrophobicContact CZ-CG1 3.43Å; F120-I203 VanDerWaalsContact CZ-CG1 3.43Å; F120-F206 HydrophobicContact CB-CB 3.32Å; F120-F206 HydrophobicContact CB-CD1 4.46Å; F120-F206 HydrophobicContact CB-CD2 3.68Å; F120-F206 HydrophobicContact CB-CG 3.61Å; F120-F206 AromaticContact CD2-CD2 3.54Å; F120-F206 HydrophobicContact CD2-CD2 3.54Å; F120-F206 AromaticContact CD2-CE2 3.84Å; F120-F206 HydrophobicContact CD2-CE2 3.84Å; F120-F206 HydrophobicContact CD2-CG 4.31Å; F120-F206 HydrophobicContact CG-CB 4.42Å; F120-F206 AromaticContact CG-CD2 3.99Å; F120-F206 HydrophobicContact CG-CD2 3.99Å; F120-F206 HydrophobicContact CG-CG 4.42Å; F120-F206 VanDerWaalsContact O-CB 3.31Å; F120-F206 WeakPolarHBondContact O-CB 3.36Å; F120-M207 HydrophobicContact CB-CE 4Å; F120-M207 HydrophobicContact CD1-CE 4.23Å
121T77.8Confident76Confident88 Ų8872.9 Ų72.954%0.5437%0.372SS..  trans-108150177.836.40000107.5E119 D123 M207E119-T121 PolarHBondContact O-N 3.2Å; T121-D123 PolarHBondContact O-N 3.04Å; T121-M207 VanDerWaalsContact O-CE 3.24Å; T121-M207 WeakPolarHBondContact O-CE 3.46Å
122Y84.4Confident76.7Confident132 Ų13276.1 Ų76.152%0.51838%0.38SS..  trans-51.4119179.8179.6-96.2000111.4P124 M207Y122-P124 HydrophobicContact CE1-CB 4.34Å; Y122-P124 HydrophobicContact CE1-CG 4.45Å; Y122-M207 WeakPolarHBondContact CD2-O 3.45Å
123D87.4Confident77.5Confident28 Ų2882.1 Ų82.115%0.1540%0.4CS..  trans-133.8115171.3-175.9-27.9000108.4T121 R125 I126 C127 M207T121-D123 PolarHBondContact O-N 3.04Å; D123-R125 PolarHBondContact O-N 2.92Å; D123-R125 VanDerWaalsContact O-N 3.15Å; D123-R125 VanDerWaalsContact OD1-CB 3.29Å; D123-R125 WeakPolarHBondContact OD1-CB 3.35Å; D123-R125 IonicContact OD1-CZ 3.83Å; D123-R125 PolarHBondContact OD1-N 3.41Å; D123-R125 IonicContact OD1-NE 3.03Å; D123-R125 PolarHBondContact OD1-NE 3.09Å; D123-R125 IonicContact OD1-NH2 3.74Å; D123-R125 IonicContact OD2-CZ 3.5Å; D123-R125 IonicContact OD2-NE 3.41Å; D123-R125 PolarHBondContact OD2-NE 3.36Å; D123-R125 IonicContact OD2-NH2 2.74Å; D123-R125 PolarHBondContact OD2-NH2 2.86Å; D123-I126 HydrophobicContact CB-CB 4.13Å; D123-I126 HydrophobicContact CB-CG1 3.74Å; D123-I126 WeakPolarHBondContact O-CB 3.5Å; D123-I126 PolarHBondContact O-N 3.19Å; D123-C127 PolarHBondContact O-N 3.1Å; D123-M207 PolarHBondContact N-SD 3.47Å
124P89Confident78.7Confident68 Ų6883.5 Ų83.544%0.44241%0.405SS..Hα-helixtrans-59.8-30-17622.5-31.9000112.6Y122 I126 C127 E128Y122-P124 HydrophobicContact CE1-CB 4.34Å; Y122-P124 HydrophobicContact CE1-CG 4.45Å; P124-I126 VanDerWaalsContact C-N 3.29Å; P124-I126 PolarHBondContact O-N 2.83Å; P124-C127 WeakPolarHBondContact O-CB 3.42Å; P124-C127 PolarHBondContact O-N 2.99Å; P124-E128 WeakPolarHBondContact O-CG 3.41Å; P124-E128 PolarHBondContact O-N 3.28Å
125R91.2Very high80.3Confident129 Ų12980.8 Ų80.849%0.48739%0.394SS..Hα-helixtrans-70.1-30.4177.9-55.9168.8-64.6-179.74.1111.5D123 I129D123-R125 PolarHBondContact O-N 2.92Å; D123-R125 VanDerWaalsContact O-N 3.15Å; D123-R125 VanDerWaalsContact OD1-CB 3.29Å; D123-R125 WeakPolarHBondContact OD1-CB 3.35Å; D123-R125 IonicContact OD1-CZ 3.83Å; D123-R125 PolarHBondContact OD1-N 3.41Å; D123-R125 IonicContact OD1-NE 3.03Å; D123-R125 PolarHBondContact OD1-NE 3.09Å; D123-R125 IonicContact OD1-NH2 3.74Å; D123-R125 IonicContact OD2-CZ 3.5Å; D123-R125 IonicContact OD2-NE 3.41Å; D123-R125 PolarHBondContact OD2-NE 3.36Å; D123-R125 IonicContact OD2-NH2 2.74Å; D123-R125 PolarHBondContact OD2-NH2 2.86Å; R125-I129 WeakPolarHBondContact O-CG1 3.4Å; R125-I129 PolarHBondContact O-N 2.87Å
126I91.9Very high82.4Confident0 Ų078.7 Ų78.70%038%0.382CS..Hα-helixtrans-75.7-39.9175-59.1-50.9000110D123 P124 E128 I129 L130 I144 K147 R148 I203 M207D123-I126 HydrophobicContact CB-CB 4.13Å; D123-I126 HydrophobicContact CB-CG1 3.74Å; D123-I126 WeakPolarHBondContact O-CB 3.5Å; D123-I126 PolarHBondContact O-N 3.19Å; P124-I126 VanDerWaalsContact C-N 3.29Å; P124-I126 PolarHBondContact O-N 2.83Å; I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 3.16Å; I126-I129 HydrophobicContact CD1-CD1 4.24Å; I126-I129 PolarHBondContact O-N 3.49Å; I126-I129 VanDerWaalsContact O-N 3.15Å; I126-L130 HydrophobicContact CG2-CD1 4.04Å; I126-L130 HydrophobicContact CG2-CG 4.41Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.16Å; I126-I144 HydrophobicContact CD1-CB 4.24Å; I126-I144 HydrophobicContact CD1-CG1 4.25Å; I126-I144 HydrophobicContact CD1-CG2 3.95Å; I126-I144 HydrophobicContact CG2-CD1 4.18Å; I126-I144 HydrophobicContact CG2-CG1 4Å; I126-I144 HydrophobicContact CG2-CG2 3.99Å; I126-K147 HydrophobicContact CD1-CB 3.74Å; I126-R148 HydrophobicContact CD1-CG 4.12Å; I126-R148 HydrophobicContact CG1-CG 4.34Å; I126-I203 HydrophobicContact CG2-CG2 4.05Å; I126-M207 HydrophobicContact CB-CE 4.24Å; I126-M207 HydrophobicContact CG2-CE 3.8Å; I126-M207 HydrophobicContact CG2-SD 4.43Å
127C91.9Very high85Confident22 Ų2275.7 Ų75.715%0.14936%0.361CS..Hα-helixtrans-56.5-44.5172.4-650000112D123 P124 I129 L130 Q131D123-C127 PolarHBondContact O-N 3.1Å; P124-C127 WeakPolarHBondContact O-CB 3.42Å; P124-C127 PolarHBondContact O-N 2.99Å; C127-I129 VanDerWaalsContact C-N 3.34Å; C127-I129 PolarHBondContact O-N 3.24Å; C127-L130 PolarHBondContact O-N 3.38Å; C127-Q131 VanDerWaalsContact O-CG 3.29Å; C127-Q131 WeakPolarHBondContact O-CG 3.29Å; C127-Q131 PolarHBondContact O-N 3.34Å
128E93Very high87.4Confident129 Ų12973.7 Ų73.760%0.60334%0.342SS*.Hα-helixtrans-57.7-44.4174.9-75.7174.9-174.900112.1P124 I126 Q131 R132P124-E128 WeakPolarHBondContact O-CG 3.41Å; P124-E128 PolarHBondContact O-N 3.28Å; I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 3.16Å; E128-Q131 PolarHBondContact O-N 3.27Å; E128-R132 WeakPolarHBondContact O-CG 3.35Å; E128-R132 PolarHBondContact O-N 2.94Å
129I93.8Very high89.5Confident13 Ų1376 Ų767%0.06736%0.357CS..Hα-helixtrans-64.2-43178.3-66.2163.7000111.1R125 I126 C127 Q131 R132 K140 Q143 I144 K147R125-I129 WeakPolarHBondContact O-CG1 3.4Å; R125-I129 PolarHBondContact O-N 2.87Å; I126-I129 HydrophobicContact CD1-CD1 4.24Å; I126-I129 PolarHBondContact O-N 3.49Å; I126-I129 VanDerWaalsContact O-N 3.15Å; C127-I129 VanDerWaalsContact C-N 3.34Å; C127-I129 PolarHBondContact O-N 3.24Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 3.29Å; I129-R132 PolarHBondContact O-N 2.93Å; I129-K140 HydrophobicContact CG2-CB 3.91Å; I129-K140 HydrophobicContact CG2-CG 4.06Å; I129-Q143 HydrophobicContact CD1-CB 4.01Å; I129-Q143 HydrophobicContact CG2-CB 4.21Å; I129-I144 HydrophobicContact CB-CG1 4.33Å; I129-I144 HydrophobicContact CD1-CG1 4.4Å; I129-I144 HydrophobicContact CG2-CD1 4.31Å; I129-I144 HydrophobicContact CG2-CG1 3.88Å; I129-K147 HydrophobicContact CD1-CG 3.88Å
130L93.2Very high91Very high18 Ų1870.2 Ų70.29%0.09433%0.33CS..Hα-helixtrans-63.2-35.9-180-72167.7000112.1I126 C127 R132 K140 I144 N200 I203 Q204 M207I126-L130 HydrophobicContact CG2-CD1 4.04Å; I126-L130 HydrophobicContact CG2-CG 4.41Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.16Å; C127-L130 PolarHBondContact O-N 3.38Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.04Å; L130-K140 PolarHBondContact O-NZ 3.08Å; L130-I144 HydrophobicContact CD2-CD1 3.76Å; L130-I144 HydrophobicContact CG-CD1 4.1Å; L130-N200 HydrophobicContact CD2-CB 3.82Å; L130-I203 HydrophobicContact CD1-CG2 4.08Å; L130-Q204 HydrophobicContact CD1-CB 4Å; L130-Q204 HydrophobicContact CD1-CG 4.26Å; L130-M207 HydrophobicContact CD1-CG 4.23Å
131Q92.5Very high92Very high144 Ų14470 Ų7067%0.67333%0.329SS*.Hα-helixtrans-74.7-12.3-179.2-71.6173.64.100114.5C127 E128 I129 Y133C127-Q131 VanDerWaalsContact O-CG 3.29Å; C127-Q131 WeakPolarHBondContact O-CG 3.29Å; C127-Q131 PolarHBondContact O-N 3.34Å; E128-Q131 PolarHBondContact O-N 3.27Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 3.29Å; Q131-Y133 PolarHBondContact O-N 3.29Å
132R92.8Very high92.8Very high103 Ų10369.2 Ų69.239%0.38932%0.316SS..  trans-72.5110.7179.8-74.9-175.969.3173.43.9112.1E128 I129 L130 D134 V135 K140E128-R132 WeakPolarHBondContact O-CG 3.35Å; E128-R132 PolarHBondContact O-N 2.94Å; I129-R132 PolarHBondContact O-N 2.93Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.04Å; R132-D134 WeakPolarHBondContact CB-OD1 3.48Å; R132-D134 IonicContact CZ-OD1 3.44Å; R132-D134 IonicContact CZ-OD2 3.75Å; R132-D134 IonicContact NE-OD1 3.19Å; R132-D134 PolarHBondContact NE-OD1 3.31Å; R132-D134 IonicContact NE-OD2 3.69Å; R132-D134 IonicContact NH2-OD1 2.68Å; R132-D134 IonicContact NH2-OD2 2.88Å; R132-D134 PolarHBondContact NH2-OD2 3.11Å; R132-V135 HydrophobicContact CB-CB 4.46Å; R132-V135 HydrophobicContact CB-CG2 4.21Å; R132-V135 VanDerWaalsContact NH2-CG2 3.34Å; R132-K140 WeakPolarHBondContact O-CE 3.38Å; R132-K140 PolarHBondContact O-NZ 2.67Å
133Y89.8Confident93.3Very high225 Ų22565.7 Ų65.788%0.88231%0.305SS*.THydrogen-bonded Turntrans-84.1-13.4176.856.4-90.6000113.4Q131 V135Q131-Y133 PolarHBondContact O-N 3.29Å; Y133-V135 VanDerWaalsContact C-N 3.31Å
134D92Very high93.6Very high106 Ų10664.3 Ų64.357%0.56730%0.297SS*.THydrogen-bonded Turntrans-81-9.4-179.766.1-51.1000113.6R132R132-D134 WeakPolarHBondContact CB-OD1 3.48Å; R132-D134 IonicContact CZ-OD1 3.44Å; R132-D134 IonicContact CZ-OD2 3.75Å; R132-D134 IonicContact NE-OD1 3.19Å; R132-D134 PolarHBondContact NE-OD1 3.31Å; R132-D134 IonicContact NE-OD2 3.69Å; R132-D134 IonicContact NH2-OD1 2.68Å; R132-D134 IonicContact NH2-OD2 2.88Å; R132-D134 PolarHBondContact NH2-OD2 3.11Å
135V93.6Very high93.7Very high20 Ų2061.1 Ų61.112%0.12128%0.276CS..SBendtrans-113.8136.7-173.3-177.20000110.8R132 Y133 T139 K140R132-V135 HydrophobicContact CB-CB 4.46Å; R132-V135 HydrophobicContact CB-CG2 4.21Å; R132-V135 VanDerWaalsContact NH2-CG2 3.34Å; Y133-V135 VanDerWaalsContact C-N 3.31Å; V135-T139 HydrophobicContact CG1-CG2 3.63Å; V135-K140 HydrophobicContact CB-CG 4.33Å; V135-K140 HydrophobicContact CG1-CG 4.07Å; V135-K140 WeakPolarHBondContact O-CE 3.44Å
136K96.4Very high93.6Very high108 Ų10861.1 Ų61.147%0.4728%0.282SS..  trans-59.2143.9173.7-71.8-168.8178.6-173.50112.3V138 T139 K140 R189 E193K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 3.3Å; K136-T139 WeakPolarHBondContact O-CA 3.31Å; K136-T139 WeakPolarHBondContact O-CB 3.42Å; K136-T139 PolarHBondContact O-N 2.95Å; K136-K140 PolarHBondContact O-N 3.15Å; K136-R189 VanDerWaalsContact NZ-NH2 3.17Å; K136-E193 WeakPolarHBondContact CA-OE1 3.38Å; K136-E193 VanDerWaalsContact CB-OE1 3.23Å; K136-E193 WeakPolarHBondContact CB-OE1 3.41Å
137E96.9Very high93.5Very high46 Ų4667 Ų6722%0.21531%0.308CS..Hα-helixtrans-60.6-39.5-176.7-64.2-59.2132.700111.7T139 K140 L141 E193 A196 A197 N200E137-T139 VanDerWaalsContact C-N 3.28Å; E137-T139 PolarHBondContact O-N 3.41Å; E137-K140 WeakPolarHBondContact O-CB 3.27Å; E137-K140 PolarHBondContact O-N 3.41Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 3.15Å; E137-K140 PolarHBondContact OE1-NZ 2.73Å; E137-K140 IonicContact OE2-NZ 3.73Å; E137-L141 PolarHBondContact O-N 3.37Å; E137-L141 VanDerWaalsContact O-N 3.11Å; E137-E193 PolarHBondContact N-OE1 3.04Å; E137-A196 HydrophobicContact CB-CB 3.9Å; E137-A197 HydrophobicContact CB-CB 4.24Å; E137-A197 HydrophobicContact CG-CB 3.88Å; E137-N200 PolarHBondContact O-ND2 2.93Å; E137-N200 PolarHBondContact OE2-ND2 2.77Å
138V97.1Very high93.3Very high20 Ų2068 Ų6812%0.12131%0.308CS..Hα-helixtrans-60.3-42.4173.5174.40000110.5K136 L141 Y142 F155 K192 E193 A196K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 3.3Å; V138-L141 WeakPolarHBondContact O-CB 3.38Å; V138-L141 PolarHBondContact O-N 2.88Å; V138-Y142 HydrophobicContact CG1-CD2 3.87Å; V138-Y142 HydrophobicContact CG1-CE2 3.64Å; V138-Y142 WeakPolarHBondContact O-CD2 3.44Å; V138-Y142 PolarHBondContact O-N 3.46Å; V138-F155 HydrophobicContact CG1-CE2 4.34Å; V138-F155 HydrophobicContact CG1-CZ 4.24Å; V138-F155 HydrophobicContact CG2-CZ 4.37Å; V138-K192 HydrophobicContact CG2-CD 4.49Å; V138-K192 HydrophobicContact CG2-CG 3.95Å; V138-E193 VanDerWaalsContact CG2-OE2 3.27Å; V138-E193 WeakPolarHBondContact CG2-OE2 3.37Å; V138-A196 HydrophobicContact CB-CB 4.2Å; V138-A196 HydrophobicContact CG2-CB 3.52Å
139T96.7Very high92.7Very high61 Ų6163.8 Ų63.837%0.37430%0.3SS..Hα-helixtrans-68.3-39-178.6-57.40000111.2V135 K136 E137 L141 Y142 Q143V135-T139 HydrophobicContact CG1-CG2 3.63Å; K136-T139 WeakPolarHBondContact O-CA 3.31Å; K136-T139 WeakPolarHBondContact O-CB 3.42Å; K136-T139 PolarHBondContact O-N 2.95Å; E137-T139 VanDerWaalsContact C-N 3.28Å; E137-T139 PolarHBondContact O-N 3.41Å; T139-L141 VanDerWaalsContact C-N 3.34Å; T139-L141 PolarHBondContact O-N 2.89Å; T139-Y142 PolarHBondContact O-N 3.23Å; T139-Q143 WeakPolarHBondContact O-CG 3.39Å; T139-Q143 PolarHBondContact O-N 2.93Å
140K96.3Very high92.1Very high10 Ų1065.7 Ų65.74%0.04331%0.306CS..Hα-helixtrans-55.6-49.1172.1-67.4179-177.2173.50111.1I129 L130 R132 V135 K136 E137 Y142 Q143 I144I129-K140 HydrophobicContact CG2-CB 3.91Å; I129-K140 HydrophobicContact CG2-CG 4.06Å; L130-K140 PolarHBondContact O-NZ 3.08Å; R132-K140 WeakPolarHBondContact O-CE 3.38Å; R132-K140 PolarHBondContact O-NZ 2.67Å; V135-K140 HydrophobicContact CB-CG 4.33Å; V135-K140 HydrophobicContact CG1-CG 4.07Å; V135-K140 WeakPolarHBondContact O-CE 3.44Å; K136-K140 PolarHBondContact O-N 3.15Å; E137-K140 WeakPolarHBondContact O-CB 3.27Å; E137-K140 PolarHBondContact O-N 3.41Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 3.15Å; E137-K140 PolarHBondContact OE1-NZ 2.73Å; E137-K140 IonicContact OE2-NZ 3.73Å; K140-Y142 VanDerWaalsContact C-N 3.34Å; K140-Y142 PolarHBondContact O-N 3.01Å; K140-Q143 CarbonylContact O-C 3.59Å; K140-Q143 WeakPolarHBondContact O-CB 3.47Å; K140-Q143 PolarHBondContact O-N 3.46Å; K140-I144 VanDerWaalsContact O-CG1 3.24Å; K140-I144 WeakPolarHBondContact O-CG1 3.42Å; K140-I144 PolarHBondContact O-N 3.5Å
141L94.7Very high91.5Very high0 Ų067.4 Ų67.40%032%0.318CS..Hα-helixtrans-56.4-45.5178.4-97152.3000113.6E137 V138 T139 Q143 I144 Q145 P153 F155 C176 A196 M199 N200 I203E137-L141 PolarHBondContact O-N 3.37Å; E137-L141 VanDerWaalsContact O-N 3.11Å; V138-L141 WeakPolarHBondContact O-CB 3.38Å; V138-L141 PolarHBondContact O-N 2.88Å; T139-L141 VanDerWaalsContact C-N 3.34Å; T139-L141 PolarHBondContact O-N 2.89Å; L141-Q143 VanDerWaalsContact C-N 3.34Å; L141-Q143 PolarHBondContact O-N 3.27Å; L141-I144 PolarHBondContact O-N 3.38Å; L141-Q145 WeakPolarHBondContact O-CG 3.23Å; L141-Q145 PolarHBondContact O-N 3.36Å; L141-P153 HydrophobicContact CB-CB 4.41Å; L141-P153 HydrophobicContact CB-CG 4.21Å; L141-P153 HydrophobicContact CD2-CB 4.47Å; L141-F155 HydrophobicContact CD1-CZ 4.39Å; L141-C176 WeakPolarHBondContact CD2-SG 3.37Å; L141-A196 HydrophobicContact CD1-CB 3.45Å; L141-A196 VanDerWaalsContact CD1-CB 3.45Å; L141-A196 VanDerWaalsContact CD1-O 3.32Å; L141-A196 WeakPolarHBondContact CD1-O 3.39Å; L141-M199 HydrophobicContact CD1-CB 3.97Å; L141-M199 HydrophobicContact CD1-CG 4.25Å; L141-M199 HydrophobicContact CD2-CB 4.22Å; L141-M199 HydrophobicContact CD2-CG 3.57Å; L141-M199 HydrophobicContact CG-CG 4.45Å; L141-N200 WeakPolarHBondContact CG-OD1 3.13Å; L141-I203 HydrophobicContact CD2-CD1 3.97Å
142Y95.2Very high91.3Very high72 Ų7264.9 Ų64.928%0.28231%0.309SS..Hα-helixtrans-60.8-44.4175.1-81.8-76.8000111.6V138 T139 K140 Q146 L152 P153 F155V138-Y142 HydrophobicContact CG1-CD2 3.87Å; V138-Y142 HydrophobicContact CG1-CE2 3.64Å; V138-Y142 WeakPolarHBondContact O-CD2 3.44Å; V138-Y142 PolarHBondContact O-N 3.46Å; T139-Y142 PolarHBondContact O-N 3.23Å; K140-Y142 VanDerWaalsContact C-N 3.34Å; K140-Y142 PolarHBondContact O-N 3.01Å; Y142-Q146 WeakPolarHBondContact O-CB 3.15Å; Y142-Q146 VanDerWaalsContact O-CG 3.28Å; Y142-Q146 WeakPolarHBondContact O-CG 3.49Å; Y142-Q146 PolarHBondContact O-N 3.45Å; Y142-L152 HydrophobicContact CD1-CB 4.3Å; Y142-L152 HydrophobicContact CD1-CD2 3.94Å; Y142-L152 HydrophobicContact CE1-CB 3.98Å; Y142-L152 HydrophobicContact CE1-CD1 4.37Å; Y142-L152 HydrophobicContact CE1-CD2 4.37Å; Y142-L152 HydrophobicContact CE1-CG 4.46Å; Y142-P153 HydrophobicContact CD1-CG 3.74Å; Y142-P153 HydrophobicContact CD2-CG 3.97Å; Y142-P153 HydrophobicContact CE1-CG 3.69Å; Y142-P153 HydrophobicContact CE2-CG 3.9Å; Y142-P153 HydrophobicContact CG-CG 3.87Å; Y142-F155 HydrophobicContact CE2-CE2 4.15Å
143Q95.1Very high91.1Very high57 Ų5760.2 Ų60.227%0.26629%0.292SS..Hα-helixtrans-63.3-41.3177.4-70.7178-1.600111.9I129 T139 K140 L141 Q146 K147I129-Q143 HydrophobicContact CD1-CB 4.01Å; I129-Q143 HydrophobicContact CG2-CB 4.21Å; T139-Q143 WeakPolarHBondContact O-CG 3.39Å; T139-Q143 PolarHBondContact O-N 2.93Å; K140-Q143 CarbonylContact O-C 3.59Å; K140-Q143 WeakPolarHBondContact O-CB 3.47Å; K140-Q143 PolarHBondContact O-N 3.46Å; L141-Q143 VanDerWaalsContact C-N 3.34Å; L141-Q143 PolarHBondContact O-N 3.27Å; Q143-Q146 PolarHBondContact O-N 3.33Å; Q143-K147 WeakPolarHBondContact O-CB 3.37Å; Q143-K147 VanDerWaalsContact O-CG 3.28Å; Q143-K147 WeakPolarHBondContact O-CG 3.48Å; Q143-K147 PolarHBondContact O-N 2.88Å
144I93.3Very high91.2Very high0 Ų054.8 Ų54.80%028%0.275CS..Hα-helixtrans-61.8-52.6178.1-67.3168.7000110I126 I129 L130 K140 L141 Q146 K147 R148 I203I126-I144 HydrophobicContact CD1-CB 4.24Å; I126-I144 HydrophobicContact CD1-CG1 4.25Å; I126-I144 HydrophobicContact CD1-CG2 3.95Å; I126-I144 HydrophobicContact CG2-CD1 4.18Å; I126-I144 HydrophobicContact CG2-CG1 4Å; I126-I144 HydrophobicContact CG2-CG2 3.99Å; I129-I144 HydrophobicContact CB-CG1 4.33Å; I129-I144 HydrophobicContact CD1-CG1 4.4Å; I129-I144 HydrophobicContact CG2-CD1 4.31Å; I129-I144 HydrophobicContact CG2-CG1 3.88Å; L130-I144 HydrophobicContact CD2-CD1 3.76Å; L130-I144 HydrophobicContact CG-CD1 4.1Å; K140-I144 VanDerWaalsContact O-CG1 3.24Å; K140-I144 WeakPolarHBondContact O-CG1 3.42Å; K140-I144 PolarHBondContact O-N 3.5Å; L141-I144 PolarHBondContact O-N 3.38Å; I144-Q146 VanDerWaalsContact C-N 3.32Å; I144-Q146 PolarHBondContact O-N 3.01Å; I144-K147 PolarHBondContact O-N 3.5Å; I144-K147 VanDerWaalsContact O-N 3.17Å; I144-R148 HydrophobicContact CG2-CG 4.4Å; I144-R148 WeakPolarHBondContact O-CG 3.33Å; I144-R148 PolarHBondContact O-N 2.81Å; I144-I203 HydrophobicContact CD1-CD1 4.04Å; I144-I203 HydrophobicContact CG2-CD1 4.01Å
145Q90.5Very high91.2Very high0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-60-41.9179-69.7-59.1-32.100111.7L141 R148 G149 R150 P151 E177L141-Q145 WeakPolarHBondContact O-CG 3.23Å; L141-Q145 PolarHBondContact O-N 3.36Å; Q145-R148 PolarHBondContact O-N 3.24Å; Q145-G149 PolarHBondContact O-N 2.99Å; Q145-R150 PolarHBondContact O-N 3.25Å; Q145-P151 WeakPolarHBondContact CB-O 3.49Å; Q145-P151 VanDerWaalsContact CG-O 3.32Å; Q145-P151 WeakPolarHBondContact CG-O 3.27Å; Q145-P151 PolarHBondContact OE1-O 3.07Å; Q145-E177 PolarHBondContact NE2-OE1 3.36Å; Q145-E177 PolarHBondContact OE1-OE1 3.08Å
146Q90Very high91.1Very high129 Ų12955 Ų5560%0.60327%0.27SS*.Hα-helixtrans-62-44.6174.8-75.7178.67.900112.7Y142 Q143 I144 G149 L152Y142-Q146 WeakPolarHBondContact O-CB 3.15Å; Y142-Q146 VanDerWaalsContact O-CG 3.28Å; Y142-Q146 WeakPolarHBondContact O-CG 3.49Å; Y142-Q146 PolarHBondContact O-N 3.45Å; Q143-Q146 PolarHBondContact O-N 3.33Å; I144-Q146 VanDerWaalsContact C-N 3.32Å; I144-Q146 PolarHBondContact O-N 3.01Å; Q146-G149 WeakPolarHBondContact O-CA 3.36Å; Q146-G149 PolarHBondContact O-N 3.32Å; Q146-L152 HydrophobicContact CG-CD2 4.16Å
147K89.6Confident90.6Very high124 Ų12452.6 Ų52.654%0.53927%0.27SS..Hα-helixtrans-65.9-37.5179.1-76.6-67-174.6179.70112.6I126 I129 Q143 I144 G149I126-K147 HydrophobicContact CD1-CB 3.74Å; I129-K147 HydrophobicContact CD1-CG 3.88Å; Q143-K147 WeakPolarHBondContact O-CB 3.37Å; Q143-K147 VanDerWaalsContact O-CG 3.28Å; Q143-K147 WeakPolarHBondContact O-CG 3.48Å; Q143-K147 PolarHBondContact O-N 2.88Å; I144-K147 PolarHBondContact O-N 3.5Å; I144-K147 VanDerWaalsContact O-N 3.17Å; K147-G149 PolarHBondContact O-N 2.85Å
148R86Confident89.8Confident43 Ų4355.5 Ų55.516%0.16228%0.28CS..Hα-helixtrans-73.8-10173-62.2-171.875.5-176.18.2112.5E119 I126 I144 Q145 R150 E177E119-R148 PolarHBondContact O-NH2 3.41Å; I126-R148 HydrophobicContact CD1-CG 4.12Å; I126-R148 HydrophobicContact CG1-CG 4.34Å; I144-R148 HydrophobicContact CG2-CG 4.4Å; I144-R148 WeakPolarHBondContact O-CG 3.33Å; I144-R148 PolarHBondContact O-N 2.81Å; Q145-R148 PolarHBondContact O-N 3.24Å; R148-R150 VanDerWaalsContact C-N 3.25Å; R148-R150 HydrophobicContact CB-CB 4.21Å; R148-R150 HydrophobicContact CB-CG 3.52Å; R148-R150 PolarHBondContact O-N 3.02Å; R148-E177 IonicContact CZ-OE1 3.12Å; R148-E177 IonicContact CZ-OE2 3.9Å; R148-E177 IonicContact NE-OE1 2.85Å; R148-E177 IonicContact NE-OE2 2.8Å; R148-E177 IonicContact NH1-OE1 3.53Å; R148-E177 PolarHBondContact NH1-OE1 3.34Å; R148-E177 IonicContact NH1-OE2 3.68Å; R148-E177 PolarHBondContact NH1-OE2 3.01Å; R148-E177 IonicContact NH2-OE2 2.77Å
149G81.5Confident88.4Confident41 Ų4160.9 Ų60.942%0.42330%0.304SS..THydrogen-bonded Turntrans65.329.8-176.300000112.6W29 Q145 Q146 K147W29-G149 WeakPolarHBondContact CH2-O 3.14Å; W29-G149 WeakPolarHBondContact CZ2-O 3.46Å; Q145-G149 PolarHBondContact O-N 2.99Å; Q146-G149 WeakPolarHBondContact O-CA 3.36Å; Q146-G149 PolarHBondContact O-N 3.32Å; K147-G149 PolarHBondContact O-N 2.85Å
150R80.9Confident86.9Confident52 Ų5260.4 Ų60.420%0.19630%0.302CS..  trans-104.8168.1-173.2-65.9-70-165.1-161.3-2.7111.6Q145 R148 E177Q145-R150 PolarHBondContact O-N 3.25Å; R148-R150 VanDerWaalsContact C-N 3.25Å; R148-R150 HydrophobicContact CB-CB 4.21Å; R148-R150 HydrophobicContact CB-CG 3.52Å; R148-R150 PolarHBondContact O-N 3.02Å; R150-E177 HydrophobicContact CB-CG 4.34Å; R150-E177 HydrophobicContact CG-CG 4.33Å; R150-E177 WeakPolarHBondContact CG-OE2 3.27Å; R150-E177 IonicContact NE-OE2 3.93Å; R150-E177 PolarHBondContact NE-OE2 3.38Å; R150-E177 VanDerWaalsContact NE-OE2 3.15Å
151P80Confident84.7Confident55 Ų5569 Ų6936%0.35734%0.343SS..PPolyproline II helixtrans-57.6145.9178.1-24.135.4000112.5W29 Q145W29-P151 VanDerWaalsContact CD1-CG 3.49Å; W29-P151 HydrophobicContact CG-CG 4.36Å; Q145-P151 WeakPolarHBondContact CB-O 3.49Å; Q145-P151 VanDerWaalsContact CG-O 3.32Å; Q145-P151 WeakPolarHBondContact CG-O 3.27Å; Q145-P151 PolarHBondContact OE1-O 3.07Å
152L88.1Confident82.5Confident90 Ų9077.4 Ų77.447%0.47138%0.379SS..PPolyproline II helixtrans-61.5149177.2-59.3176.3000110.8Y142 Q146 E154Y142-L152 HydrophobicContact CD1-CB 4.3Å; Y142-L152 HydrophobicContact CD1-CD2 3.94Å; Y142-L152 HydrophobicContact CE1-CB 3.98Å; Y142-L152 HydrophobicContact CE1-CD1 4.37Å; Y142-L152 HydrophobicContact CE1-CD2 4.37Å; Y142-L152 HydrophobicContact CE1-CG 4.46Å; Q146-L152 HydrophobicContact CG-CD2 4.16Å; L152-E154 PolarHBondContact O-N 3.31Å
153P90.6Very high80.2Confident6 Ų677.6 Ų77.64%0.03939%0.389CS..PPolyproline II helixtrans-59.7132.7177.526.7-36.1000111.1L141 Y142 F155 C176L141-P153 HydrophobicContact CB-CB 4.41Å; L141-P153 HydrophobicContact CB-CG 4.21Å; L141-P153 HydrophobicContact CD2-CB 4.47Å; Y142-P153 HydrophobicContact CD1-CG 3.74Å; Y142-P153 HydrophobicContact CD2-CG 3.97Å; Y142-P153 HydrophobicContact CE1-CG 3.69Å; Y142-P153 HydrophobicContact CE2-CG 3.9Å; Y142-P153 HydrophobicContact CG-CG 3.87Å; P153-F155 HydrophobicContact CB-CD2 4.43Å; P153-F155 HydrophobicContact CB-CE2 3.69Å; P153-F155 HydrophobicContact CB-CZ 4.16Å; P153-F155 HydrophobicContact CG-CE2 3.84Å; P153-F155 HydrophobicContact CG-CZ 4.49Å; P153-C176 VanDerWaalsContact CB-SG 3.51Å
154E91.2Very high78Confident111 Ų11183.3 Ų83.352%0.51942%0.416SS..EExtended strand (participates in β ladder)trans-94.7139.1174.9-66.3-176.2179.400110.3L152 H156 A174 T175L152-E154 PolarHBondContact O-N 3.31Å; E154-H156 IonicContact OE2-CE1 3.42Å; E154-A174 CarbonylContact O-C 3.54Å; E154-A174 WeakPolarHBondContact O-CA 3.28Å; E154-T175 PolarHBondContact N-O 3.18Å; E154-T175 PolarHBondContact O-N 2.95Å
155F92.4Very high75.9Confident40 Ų4090.6 Ų90.618%0.17546%0.455CS..EExtended strand (participates in β ladder)trans-130.3118178.9-65.9-89.8000110.2V138 L141 Y142 P153 V172 N173 A174 K192 A196V138-F155 HydrophobicContact CG1-CE2 4.34Å; V138-F155 HydrophobicContact CG1-CZ 4.24Å; V138-F155 HydrophobicContact CG2-CZ 4.37Å; L141-F155 HydrophobicContact CD1-CZ 4.39Å; Y142-F155 HydrophobicContact CE2-CE2 4.15Å; P153-F155 HydrophobicContact CB-CD2 4.43Å; P153-F155 HydrophobicContact CB-CE2 3.69Å; P153-F155 HydrophobicContact CB-CZ 4.16Å; P153-F155 HydrophobicContact CG-CE2 3.84Å; P153-F155 HydrophobicContact CG-CZ 4.49Å; F155-V172 HydrophobicContact CB-CG1 4.13Å; F155-V172 HydrophobicContact CD1-CG1 3.92Å; F155-N173 WeakPolarHBondContact CA-O 3.49Å; F155-A174 HydrophobicContact CD1-CB 3.75Å; F155-A174 HydrophobicContact CE1-CB 3.6Å; F155-A174 HydrophobicContact CZ-CB 4.49Å; F155-K192 HydrophobicContact CB-CD 4.42Å; F155-K192 HydrophobicContact CD1-CD 4.27Å; F155-K192 HydrophobicContact CD1-CG 3.62Å; F155-K192 HydrophobicContact CE1-CG 3.85Å; F155-K192 HydrophobicContact CG-CD 4.17Å; F155-K192 VanDerWaalsContact CG-CE 3.48Å; F155-K192 HydrophobicContact CG-CG 4.03Å; F155-K192 HydrophobicContact CZ-CG 4.45Å; F155-A196 HydrophobicContact CE1-CB 4.21Å; F155-A196 HydrophobicContact CZ-CB 4.29Å
156H90.6Very high74Confident91 Ų91102.3 Ų102.342%0.42150%0.499SS..EExtended strand (participates in β ladder)trans-112.6117.7177.7-68.388.9000109.7E154 Y158 V172 N173E154-H156 IonicContact OE2-CE1 3.42Å; H156-Y158 HydrophobicContact CB-CE2 3.93Å; H156-Y158 WeakPolarHBondContact O-CD2 3.36Å; H156-Y158 WeakPolarHBondContact O-CE2 3.33Å; H156-V172 CarbonylContact O-C 3.57Å; H156-V172 WeakPolarHBondContact O-CA 3.49Å; H156-N173 PolarHBondContact N-O 3.24Å; H156-N173 PolarHBondContact O-N 2.85Å
157A86.6Confident72.4Confident56 Ų56100.7 Ų100.746%0.46350%0.495SS..EExtended strand (participates in β ladder)trans-93.8131.3-179.600000110.8V172 K188A157-V172 HydrophobicContact CB-CG2 3.97Å; A157-K188 HydrophobicContact CB-CD 4.47Å
158Y79.4Confident71.2Confident107 Ų107100.9 Ų100.942%0.4250%0.497SS..EExtended strand (participates in β ladder)trans-117.4138175.2-53.6-86.9000108.8H156 M171 N173H156-Y158 HydrophobicContact CB-CE2 3.93Å; H156-Y158 WeakPolarHBondContact O-CD2 3.36Å; H156-Y158 WeakPolarHBondContact O-CE2 3.33Å; Y158-M171 HydrophobicContact CD2-CE 3.85Å; Y158-M171 HydrophobicContact CG-CE 3.98Å; Y158-M171 PolarHBondContact N-O 3.48Å; Y158-M171 PolarHBondContact O-N 3.44Å; Y158-M171 VanDerWaalsContact O-N 3.09Å; Y158-M171 VanDerWaalsContact O-O 3.06Å; Y158-N173 HydrophobicContact CE2-CB 3.78Å
159Q67.9Low70.7Confident133 Ų133103.1 Ų103.162%0.62151%0.511SS*.EExtended strand (participates in β ladder)trans-89.3118.3169.2-162.7164.55.500106.9E161Q159-E161 PolarHBondContact O-N 3.3Å
160C64.4Low70.9Confident51 Ų51102.6 Ų102.635%0.34550%0.497SS..  trans-67.2119.6179.5-71.40000109K162C160-K162 PolarHBondContact O-N 2.95Å
161E51.1Low71.3Confident192 Ų192102 Ų10290%0.89750%0.497SS*.SBendtrans-68.32.7-171.4-79.9-170.1154.700115.6Q159Q159-E161 PolarHBondContact O-N 3.3Å
162K48.1Very low71.8Confident175 Ų17599.5 Ų99.576%0.76148%0.481SS*.  trans-147.9101.2177-68-173.9-179.1175.70113C160 Q164C160-K162 PolarHBondContact O-N 2.95Å; K162-Q164 PolarHBondContact O-N 3.5Å
163P47.5Very low71.9Confident77 Ų7796.6 Ų96.650%0.547%0.466SS..  trans-84.983.7158.532.8-25.6000107.9N165P163-N165 PolarHBondContact O-N 3.27Å; P163-N165 VanDerWaalsContact O-N 3.11Å
164Q47.6Very low71.9Confident176 Ų17696.4 Ų96.482%0.82246%0.464SS*.SBendtrans-71.6103.3158.6-85.8-177.4-19.200106.6K162K162-Q164 PolarHBondContact O-N 3.5Å
165N49.7Very low71.8Confident154 Ų15493 Ų9382%0.82445%0.451SS*.SBendtrans82.391.5-178.1-63-26000116.9P163 N167P163-N165 PolarHBondContact O-N 3.27Å; P163-N165 VanDerWaalsContact O-N 3.11Å; N165-N167 PolarHBondContact O-N 2.96Å
166R51.5Low71.5Confident245 Ų24591.3 Ų91.393%0.92544%0.444SS*.SBendtrans61.7-9.8144.7-83.2-173.5177.81790.2122.8
167N55.6Low70.9Confident95 Ų9588.1 Ų88.151%0.50843%0.43SS..  trans-123.5114.1168.8-76.65000110.8N165 M169N165-N167 PolarHBondContact O-N 2.96Å; N167-M169 PolarHBondContact O-N 3.29Å
168E64.1Low70.3Confident128 Ų12888.4 Ų88.460%0.59844%0.438SS*.  trans-60.9105.1166.9-70.7-175167.100108.6
169M76.7Confident70.5Confident90 Ų9086.7 Ų86.744%0.44343%0.431SS..  trans-95.2126.3176.4-80.5-92.8-81.700109.3N167 Y184N167-M169 PolarHBondContact O-N 3.29Å; M169-Y184 HydrophobicContact CE-CD1 4.47Å; M169-Y184 HydrophobicContact CE-CG 4.33Å
170F84.3Confident71.4Confident30 Ų3084.2 Ų84.213%0.13243%0.428CS..EExtended strand (participates in β ladder)trans-90.4142.1169.8-64.6-90.3000109.1Y184 G185 E186 K188 A191F170-Y184 VanDerWaalsContact O-CA 3.32Å; F170-Y184 WeakPolarHBondContact O-CA 3.31Å; F170-G185 PolarHBondContact N-O 3.07Å; F170-G185 PolarHBondContact O-N 2.96Å; F170-E186 WeakPolarHBondContact CE2-O 3.44Å; F170-K188 HydrophobicContact CB-CG 4.4Å; F170-K188 HydrophobicContact CD1-CD 4.3Å; F170-K188 HydrophobicContact CD1-CG 3.37Å; F170-K188 HydrophobicContact CE1-CD 4.38Å; F170-K188 HydrophobicContact CE1-CG 3.75Å; F170-K188 HydrophobicContact CG-CG 3.92Å; F170-A191 HydrophobicContact CB-CB 4Å; F170-A191 WeakPolarHBondContact O-CB 3.43Å
171M89Confident72.6Confident40 Ų4082.9 Ų82.920%0.19742%0.419CS..EExtended strand (participates in β ladder)trans-114.6135172.4-177.3177.770.600108.8Y158 L182 G183 Y184Y158-M171 HydrophobicContact CD2-CE 3.85Å; Y158-M171 HydrophobicContact CG-CE 3.98Å; Y158-M171 PolarHBondContact N-O 3.48Å; Y158-M171 PolarHBondContact O-N 3.44Å; Y158-M171 VanDerWaalsContact O-N 3.09Å; Y158-M171 VanDerWaalsContact O-O 3.06Å; M171-L182 HydrophobicContact CG-CD2 4.2Å; M171-L182 HydrophobicContact SD-CD1 3.99Å; M171-L182 HydrophobicContact SD-CD2 4.06Å; M171-L182 HydrophobicContact SD-CG 4.49Å; M171-G183 CarbonylContact C-O 3.59Å; M171-G183 WeakPolarHBondContact CA-O 3.38Å; M171-Y184 HydrophobicContact CB-CD1 4.04Å; M171-Y184 HydrophobicContact CB-CE1 4.01Å; M171-Y184 HydrophobicContact CG-CD1 4.03Å; M171-Y184 HydrophobicContact CG-CE1 3.64Å; M171-Y184 HydrophobicContact SD-CE1 3.64Å
172V91.6Very high74.4Confident3 Ų377.3 Ų77.32%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-125.9128.4174.2174.30000108.4F155 H156 A157 L182 G183 A191 K192 A195F155-V172 HydrophobicContact CB-CG1 4.13Å; F155-V172 HydrophobicContact CD1-CG1 3.92Å; H156-V172 CarbonylContact O-C 3.57Å; H156-V172 WeakPolarHBondContact O-CA 3.49Å; A157-V172 HydrophobicContact CB-CG2 3.97Å; V172-L182 WeakPolarHBondContact O-CA 3.39Å; V172-G183 PolarHBondContact N-O 3.23Å; V172-G183 PolarHBondContact O-N 3.39Å; V172-A191 HydrophobicContact CB-CB 4.16Å; V172-A191 HydrophobicContact CG2-CB 3.63Å; V172-K192 HydrophobicContact CG1-CB 4.28Å; V172-K192 HydrophobicContact CG1-CG 4.48Å; V172-K192 HydrophobicContact CG2-CB 4.32Å; V172-A195 HydrophobicContact CB-CB 4.27Å; V172-A195 HydrophobicContact CG1-CB 4.14Å; V172-A195 WeakPolarHBondContact O-CB 3.49Å
173N90.1Very high76.4Confident29 Ų2969 Ų6916%0.15536%0.359CS..EExtended strand (participates in β ladder)trans-91.7124.1168.7-174.514.4000109.1F155 H156 Y158 V181 L182F155-N173 WeakPolarHBondContact CA-O 3.49Å; H156-N173 PolarHBondContact N-O 3.24Å; H156-N173 PolarHBondContact O-N 2.85Å; Y158-N173 HydrophobicContact CE2-CB 3.78Å; N173-V181 WeakPolarHBondContact CA-O 3.28Å; N173-V181 PolarHBondContact OD1-O 2.86Å; N173-V181 VanDerWaalsContact OD1-O 3.11Å; N173-L182 HydrophobicContact CB-CD2 3.79Å
174A91.5Very high78.5Confident1 Ų170.2 Ų70.21%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-104127172.500000109.6E154 F155 S180 V181 A195 M199E154-A174 CarbonylContact O-C 3.54Å; E154-A174 WeakPolarHBondContact O-CA 3.28Å; F155-A174 HydrophobicContact CD1-CB 3.75Å; F155-A174 HydrophobicContact CE1-CB 3.6Å; F155-A174 HydrophobicContact CZ-CB 4.49Å; A174-S180 WeakPolarHBondContact O-CA 3.27Å; A174-V181 HydrophobicContact CB-CG2 4.07Å; A174-V181 PolarHBondContact N-O 3.05Å; A174-V181 PolarHBondContact O-N 3.01Å; A174-A195 HydrophobicContact CB-CB 3.77Å; A174-M199 WeakPolarHBondContact O-CE 3.44Å
175T88.3Confident80.4Confident40 Ų4062.3 Ų62.325%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-118.8127.7-179.6-49.20000110.8E154 Y179E154-T175 PolarHBondContact N-O 3.18Å; E154-T175 PolarHBondContact O-N 2.95Å; T175-Y179 CarbonylContact C-O 3.58Å; T175-Y179 VanDerWaalsContact CA-O 3.27Å; T175-Y179 WeakPolarHBondContact CA-O 3.48Å; T175-Y179 WeakPolarHBondContact CG2-O 3.36Å
176C86.1Confident82.2Confident4 Ų461.7 Ų61.73%0.02731%0.312CS..EExtended strand (participates in β ladder)trans-142127.5175.5-79.30000110.7L141 P153 G178 Y179 M199L141-C176 WeakPolarHBondContact CD2-SG 3.37Å; P153-C176 VanDerWaalsContact CB-SG 3.51Å; C176-G178 PolarHBondContact O-N 3.09Å; C176-Y179 PolarHBondContact N-O 3.27Å; C176-Y179 WeakPolarHBondContact O-CB 3.39Å; C176-Y179 PolarHBondContact O-N 3.49Å; C176-M199 HydrophobicContact CB-CE 4.09Å; C176-M199 HydrophobicContact CB-CG 4.22Å; C176-M199 HydrophobicContact CB-SD 4.05Å
177E78Confident84.1Confident24 Ų2452.3 Ų52.311%0.11228%0.284CS..THydrogen-bonded Turntrans50.733.7170.1-62.6-179.3-106.800113.7M118 Q145 R148 R150M118-E177 HydrophobicContact CB-CB 4.47Å; M118-E177 HydrophobicContact SD-CB 3.82Å; M118-E177 HydrophobicContact SD-CG 4.14Å; Q145-E177 PolarHBondContact NE2-OE1 3.36Å; Q145-E177 PolarHBondContact OE1-OE1 3.08Å; R148-E177 IonicContact CZ-OE1 3.12Å; R148-E177 IonicContact CZ-OE2 3.9Å; R148-E177 IonicContact NE-OE1 2.85Å; R148-E177 IonicContact NE-OE2 2.8Å; R148-E177 IonicContact NH1-OE1 3.53Å; R148-E177 PolarHBondContact NH1-OE1 3.34Å; R148-E177 IonicContact NH1-OE2 3.68Å; R148-E177 PolarHBondContact NH1-OE2 3.01Å; R148-E177 IonicContact NH2-OE2 2.77Å; R150-E177 HydrophobicContact CB-CG 4.34Å; R150-E177 HydrophobicContact CG-CG 4.33Å; R150-E177 WeakPolarHBondContact CG-OE2 3.27Å; R150-E177 IonicContact NE-OE2 3.93Å; R150-E177 PolarHBondContact NE-OE2 3.38Å; R150-E177 VanDerWaalsContact NE-OE2 3.15Å
178G74.2Confident85.7Confident62 Ų6253.5 Ų53.564%0.63929%0.285SS*.THydrogen-bonded Turntrans88.8-10.4-178.700000115.6C176C176-G178 PolarHBondContact O-N 3.09Å
179Y83.5Confident87.1Confident72 Ų7256 Ų5628%0.28229%0.289SS..EExtended strand (participates in β ladder)trans-86.9143.1171.8-62.6-89.2000110.6F120 T175 C176 M199 V202 F206F120-Y179 HydrophobicContact CD2-CD2 4.27Å; F120-Y179 HydrophobicContact CD2-CE2 4.03Å; F120-Y179 AromaticContact CE2-CD2 3.61Å; F120-Y179 HydrophobicContact CE2-CD2 3.61Å; F120-Y179 AromaticContact CE2-CE2 3.84Å; F120-Y179 HydrophobicContact CE2-CE2 3.84Å; F120-Y179 HydrophobicContact CE2-CG 4.33Å; T175-Y179 CarbonylContact C-O 3.58Å; T175-Y179 VanDerWaalsContact CA-O 3.27Å; T175-Y179 WeakPolarHBondContact CA-O 3.48Å; T175-Y179 WeakPolarHBondContact CG2-O 3.36Å; C176-Y179 PolarHBondContact N-O 3.27Å; C176-Y179 WeakPolarHBondContact O-CB 3.39Å; C176-Y179 PolarHBondContact O-N 3.49Å; Y179-M199 VanDerWaalsContact O-CE 3.25Å; Y179-M199 WeakPolarHBondContact O-CE 3.33Å; Y179-V202 HydrophobicContact CD1-CG1 4.2Å; Y179-V202 HydrophobicContact CG-CG1 4.44Å; Y179-F206 AromaticContact CE1-CE2 3.99Å; Y179-F206 HydrophobicContact CE1-CE2 3.99Å; Y179-F206 AromaticContact CE1-CZ 3.77Å; Y179-F206 HydrophobicContact CE1-CZ 3.77Å; Y179-F206 AromaticContact CZ-CE2 3.95Å; Y179-F206 AromaticContact CZ-CZ 3.68Å; Y179-F206 VanDerWaalsContact OH-CZ 3.32Å; Y179-F206 WeakPolarHBondContact OH-CZ 3.23Å
180S86.5Confident87.9Confident80 Ų8053.8 Ų53.856%0.55929%0.285SS*.EExtended strand (participates in β ladder)trans-130.3134.3175.860.90000110.7A174A174-S180 WeakPolarHBondContact O-CA 3.27Å
181V89.6Confident88.3Confident23 Ų2352.4 Ų52.414%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-133.3152174.5-55.70000110.8N173 A174 A195 E198 M199 V202N173-V181 WeakPolarHBondContact CA-O 3.28Å; N173-V181 PolarHBondContact OD1-O 2.86Å; N173-V181 VanDerWaalsContact OD1-O 3.11Å; A174-V181 HydrophobicContact CB-CG2 4.07Å; A174-V181 PolarHBondContact N-O 3.05Å; A174-V181 PolarHBondContact O-N 3.01Å; V181-A195 WeakPolarHBondContact CG2-O 3.31Å; V181-E198 HydrophobicContact CB-CB 4.11Å; V181-E198 HydrophobicContact CG2-CB 3.89Å; V181-M199 HydrophobicContact CB-CE 4.49Å; V181-M199 HydrophobicContact CG1-CE 4.04Å; V181-M199 HydrophobicContact CG1-SD 4.4Å; V181-M199 HydrophobicContact CG2-CB 3.71Å; V181-M199 HydrophobicContact CG2-CE 4Å; V181-V202 HydrophobicContact CG1-CG2 3.82Å
182L89.7Confident88.6Confident76 Ų7653.7 Ų53.740%0.39828%0.283SS..EExtended strand (participates in β ladder)trans-101.1137.9177.3-61.5176.1000110.6M171 V172 N173 Y184M171-L182 HydrophobicContact CG-CD2 4.2Å; M171-L182 HydrophobicContact SD-CD1 3.99Å; M171-L182 HydrophobicContact SD-CD2 4.06Å; M171-L182 HydrophobicContact SD-CG 4.49Å; V172-L182 WeakPolarHBondContact O-CA 3.39Å; N173-L182 HydrophobicContact CB-CD2 3.79Å; L182-Y184 HydrophobicContact CB-CE2 4.07Å
183G89.8Confident88.8Confident0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-121.6143.8167.900000111.2M171 V172M171-G183 CarbonylContact C-O 3.59Å; M171-G183 WeakPolarHBondContact CA-O 3.38Å; V172-G183 PolarHBondContact N-O 3.23Å; V172-G183 PolarHBondContact O-N 3.39Å
184Y90.5Very high89.1Confident102 Ų10258.8 Ų58.840%0.431%0.306SS..EExtended strand (participates in β ladder)trans-119.9150.4-179.4-57.4-89.2000109.9M169 F170 M171 L182M169-Y184 HydrophobicContact CE-CD1 4.47Å; M169-Y184 HydrophobicContact CE-CG 4.33Å; F170-Y184 VanDerWaalsContact O-CA 3.32Å; F170-Y184 WeakPolarHBondContact O-CA 3.31Å; M171-Y184 HydrophobicContact CB-CD1 4.04Å; M171-Y184 HydrophobicContact CB-CE1 4.01Å; M171-Y184 HydrophobicContact CG-CD1 4.03Å; M171-Y184 HydrophobicContact CG-CE1 3.64Å; M171-Y184 HydrophobicContact SD-CE1 3.64Å; L182-Y184 HydrophobicContact CB-CE2 4.07Å
185G89.1Confident89.3Confident10 Ų1058.7 Ų58.710%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-177.4164.4173.700000113.6F170 S187F170-G185 PolarHBondContact N-O 3.07Å; F170-G185 PolarHBondContact O-N 2.96Å; G185-S187 PolarHBondContact O-N 3.39Å; G185-S187 VanDerWaalsContact O-N 3.13Å
186E87.7Confident89.7Confident141 Ų14156.8 Ų56.866%0.65929%0.293SS*.SBendtrans-68.7-8.8-178.8-57.8179.4163.600113.4F170F170-E186 WeakPolarHBondContact CE2-O 3.44Å
187S89.8Confident90.2Very high49 Ų4957.7 Ų57.734%0.34330%0.301SS..SBendtrans-142.7157171.967.20000110.2G185 R189 A190 A191G185-S187 PolarHBondContact O-N 3.39Å; G185-S187 VanDerWaalsContact O-N 3.13Å; S187-R189 PolarHBondContact O-N 2.81Å; S187-R189 VanDerWaalsContact O-N 3.12Å; S187-A190 PolarHBondContact O-N 3.23Å; S187-A190 WeakPolarHBondContact OG-CB 3.36Å; S187-A190 PolarHBondContact OG-N 2.87Å; S187-A190 VanDerWaalsContact OG-N 3.1Å; S187-A191 WeakPolarHBondContact O-CB 3.35Å; S187-A191 PolarHBondContact O-N 2.91Å
188K89.8Confident91Very high119 Ų11959.2 Ų59.252%0.51731%0.308SS..Hα-helixtrans-52.9-34.4172.2-65.4-176.1-178.7179.40112.3A157 F170 K192A157-K188 HydrophobicContact CB-CD 4.47Å; F170-K188 HydrophobicContact CB-CG 4.4Å; F170-K188 HydrophobicContact CD1-CD 4.3Å; F170-K188 HydrophobicContact CD1-CG 3.37Å; F170-K188 HydrophobicContact CE1-CD 4.38Å; F170-K188 HydrophobicContact CE1-CG 3.75Å; F170-K188 HydrophobicContact CG-CG 3.92Å; K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 3.14Å
189R93.7Very high92Very high181 Ų18156.2 Ų56.268%0.68328%0.278SS*.Hα-helixtrans-68.8-46.4177.8-170.6-176.7-172178.97111.5K136 S187 K192 E193K136-R189 VanDerWaalsContact NZ-NH2 3.17Å; S187-R189 PolarHBondContact O-N 2.81Å; S187-R189 VanDerWaalsContact O-N 3.12Å; R189-K192 PolarHBondContact O-N 2.84Å; R189-E193 PolarHBondContact O-N 2.96Å
190A92.9Very high92.5Very high44 Ų4453 Ų5336%0.36427%0.265SS..Hα-helixtrans-64.9-45.2177.400000111.4S187 K192 E193 H194S187-A190 PolarHBondContact O-N 3.23Å; S187-A190 WeakPolarHBondContact OG-CB 3.36Å; S187-A190 PolarHBondContact OG-N 2.87Å; S187-A190 VanDerWaalsContact OG-N 3.1Å; A190-K192 VanDerWaalsContact C-N 3.31Å; A190-K192 PolarHBondContact O-N 2.92Å; A190-E193 PolarHBondContact O-N 3.11Å; A190-H194 WeakPolarHBondContact O-CB 3.44Å; A190-H194 PolarHBondContact O-N 3.41Å
191A92.3Very high92.9Very high0 Ų054.7 Ų54.70%026%0.262CS..Hα-helixtrans-60.6-39.9176.100000112.2F170 V172 S187 H194 A195F170-A191 HydrophobicContact CB-CB 4Å; F170-A191 WeakPolarHBondContact O-CB 3.43Å; V172-A191 HydrophobicContact CB-CB 4.16Å; V172-A191 HydrophobicContact CG2-CB 3.63Å; S187-A191 WeakPolarHBondContact O-CB 3.35Å; S187-A191 PolarHBondContact O-N 2.91Å; A191-H194 PolarHBondContact O-N 3.09Å; A191-A195 WeakPolarHBondContact O-CB 3.32Å; A191-A195 PolarHBondContact O-N 3.24Å
192K95.9Very high92.9Very high67 Ų6755.5 Ų55.529%0.29127%0.267SS..Hα-helixtrans-65-43.2175.2-175176.1178.6170.10112.3V138 F155 V172 K188 R189 A190 H194 A195 A196V138-K192 HydrophobicContact CG2-CD 4.49Å; V138-K192 HydrophobicContact CG2-CG 3.95Å; F155-K192 HydrophobicContact CB-CD 4.42Å; F155-K192 HydrophobicContact CD1-CD 4.27Å; F155-K192 HydrophobicContact CD1-CG 3.62Å; F155-K192 HydrophobicContact CE1-CG 3.85Å; F155-K192 HydrophobicContact CG-CD 4.17Å; F155-K192 VanDerWaalsContact CG-CE 3.48Å; F155-K192 HydrophobicContact CG-CG 4.03Å; F155-K192 HydrophobicContact CZ-CG 4.45Å; V172-K192 HydrophobicContact CG1-CB 4.28Å; V172-K192 HydrophobicContact CG1-CG 4.48Å; V172-K192 HydrophobicContact CG2-CB 4.32Å; K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 3.14Å; R189-K192 PolarHBondContact O-N 2.84Å; A190-K192 VanDerWaalsContact C-N 3.31Å; A190-K192 PolarHBondContact O-N 2.92Å; K192-H194 VanDerWaalsContact C-N 3.33Å; K192-A195 PolarHBondContact O-N 3.44Å; K192-A196 WeakPolarHBondContact O-CB 3.32Å; K192-A196 PolarHBondContact O-N 2.81Å
193E96.8Very high93Very high55 Ų5551.9 Ų51.926%0.25725%0.248SC..Hα-helixtrans-63.9-40.5175.9-165.371.5-171.300111.3K136 E137 V138 R189 A190 A196 A197K136-E193 WeakPolarHBondContact CA-OE1 3.38Å; K136-E193 VanDerWaalsContact CB-OE1 3.23Å; K136-E193 WeakPolarHBondContact CB-OE1 3.41Å; E137-E193 PolarHBondContact N-OE1 3.04Å; V138-E193 VanDerWaalsContact CG2-OE2 3.27Å; V138-E193 WeakPolarHBondContact CG2-OE2 3.37Å; R189-E193 PolarHBondContact O-N 2.96Å; A190-E193 PolarHBondContact O-N 3.11Å; E193-A196 WeakPolarHBondContact O-CB 3.24Å; E193-A196 PolarHBondContact O-N 2.93Å; E193-A197 PolarHBondContact O-N 2.87Å
194H94.9Very high93Very high84 Ų8455.4 Ų55.439%0.38927%0.265SS..Hα-helixtrans-66.2-43.1176.1-164.9-90.8000112.1A190 A191 K192 A196 A197 E198A190-H194 WeakPolarHBondContact O-CB 3.44Å; A190-H194 PolarHBondContact O-N 3.41Å; A191-H194 PolarHBondContact O-N 3.09Å; K192-H194 VanDerWaalsContact C-N 3.33Å; H194-A196 PolarHBondContact O-N 2.83Å; H194-A197 WeakPolarHBondContact O-CB 3.5Å; H194-A197 PolarHBondContact O-N 2.85Å; H194-A197 VanDerWaalsContact O-N 3.16Å; H194-E198 PolarHBondContact O-N 2.8Å
195A95.5Very high92.9Very high0 Ų053 Ų530%026%0.263CS..Hα-helixtrans-61.9-38.9176.400000110.7V172 A174 V181 A191 K192 M199V172-A195 HydrophobicContact CB-CB 4.27Å; V172-A195 HydrophobicContact CG1-CB 4.14Å; V172-A195 WeakPolarHBondContact O-CB 3.49Å; A174-A195 HydrophobicContact CB-CB 3.77Å; V181-A195 WeakPolarHBondContact CG2-O 3.31Å; A191-A195 WeakPolarHBondContact O-CB 3.32Å; A191-A195 PolarHBondContact O-N 3.24Å; K192-A195 PolarHBondContact O-N 3.44Å; A195-M199 PolarHBondContact O-N 2.82Å
196A97.1Very high92.7Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-64.3-43173.800000112.9E137 V138 L141 F155 K192 E193 H194 E198 M199 N200E137-A196 HydrophobicContact CB-CB 3.9Å; V138-A196 HydrophobicContact CB-CB 4.2Å; V138-A196 HydrophobicContact CG2-CB 3.52Å; L141-A196 HydrophobicContact CD1-CB 3.45Å; L141-A196 VanDerWaalsContact CD1-CB 3.45Å; L141-A196 VanDerWaalsContact CD1-O 3.32Å; L141-A196 WeakPolarHBondContact CD1-O 3.39Å; F155-A196 HydrophobicContact CE1-CB 4.21Å; F155-A196 HydrophobicContact CZ-CB 4.29Å; K192-A196 WeakPolarHBondContact O-CB 3.32Å; K192-A196 PolarHBondContact O-N 2.81Å; E193-A196 WeakPolarHBondContact O-CB 3.24Å; E193-A196 PolarHBondContact O-N 2.93Å; H194-A196 PolarHBondContact O-N 2.83Å; A196-E198 PolarHBondContact O-N 2.81Å; A196-M199 PolarHBondContact O-N 3.22Å; A196-N200 PolarHBondContact O-N 2.84Å; A196-N200 PolarHBondContact O-ND2 2.78Å
197A96.3Very high92.5Very high22 Ų2248.5 Ų48.518%0.18224%0.239CC..Hα-helixtrans-60.1-45.9176.500000111.8E137 E193 H194 M199 N200 K201E137-A197 HydrophobicContact CB-CB 4.24Å; E137-A197 HydrophobicContact CG-CB 3.88Å; E193-A197 PolarHBondContact O-N 2.87Å; H194-A197 WeakPolarHBondContact O-CB 3.5Å; H194-A197 PolarHBondContact O-N 2.85Å; H194-A197 VanDerWaalsContact O-N 3.16Å; A197-M199 VanDerWaalsContact C-N 3.33Å; A197-M199 PolarHBondContact O-N 3.47Å; A197-N200 PolarHBondContact O-N 2.82Å; A197-K201 WeakPolarHBondContact O-CG 3.46Å; A197-K201 PolarHBondContact O-N 2.85Å
198E95.7Very high91.5Very high56 Ų5651.8 Ų51.826%0.26225%0.25SC..Hα-helixtrans-62.8-40.2176.9-69.1-51.3123.400111.9V181 H194 A196 K201 V202V181-E198 HydrophobicContact CB-CB 4.11Å; V181-E198 HydrophobicContact CG2-CB 3.89Å; H194-E198 PolarHBondContact O-N 2.8Å; A196-E198 PolarHBondContact O-N 2.81Å; E198-K201 WeakPolarHBondContact O-CB 3.39Å; E198-K201 PolarHBondContact O-N 2.95Å; E198-K201 IonicContact OE1-NZ 2.69Å; E198-K201 PolarHBondContact OE1-NZ 3.31Å; E198-K201 IonicContact OE2-NZ 3.87Å; E198-V202 WeakPolarHBondContact O-CG2 3.41Å; E198-V202 PolarHBondContact O-N 3.38Å
199M94.4Very high89.9Confident0 Ų054.4 Ų54.40%026%0.262CS..Hα-helixtrans-67.3-42.6177.5-177.563.774.400110.1L141 A174 C176 Y179 V181 A195 A196 A197 K201 V202 I203L141-M199 HydrophobicContact CD1-CB 3.97Å; L141-M199 HydrophobicContact CD1-CG 4.25Å; L141-M199 HydrophobicContact CD2-CB 4.22Å; L141-M199 HydrophobicContact CD2-CG 3.57Å; L141-M199 HydrophobicContact CG-CG 4.45Å; A174-M199 WeakPolarHBondContact O-CE 3.44Å; C176-M199 HydrophobicContact CB-CE 4.09Å; C176-M199 HydrophobicContact CB-CG 4.22Å; C176-M199 HydrophobicContact CB-SD 4.05Å; Y179-M199 VanDerWaalsContact O-CE 3.25Å; Y179-M199 WeakPolarHBondContact O-CE 3.33Å; V181-M199 HydrophobicContact CB-CE 4.49Å; V181-M199 HydrophobicContact CG1-CE 4.04Å; V181-M199 HydrophobicContact CG1-SD 4.4Å; V181-M199 HydrophobicContact CG2-CB 3.71Å; V181-M199 HydrophobicContact CG2-CE 4Å; A195-M199 PolarHBondContact O-N 2.82Å; A196-M199 PolarHBondContact O-N 3.22Å; A197-M199 VanDerWaalsContact C-N 3.33Å; A197-M199 PolarHBondContact O-N 3.47Å; M199-K201 VanDerWaalsContact C-N 3.26Å; M199-K201 PolarHBondContact O-N 2.81Å; M199-V202 WeakPolarHBondContact O-CA 3.32Å; M199-V202 WeakPolarHBondContact O-CB 3.36Å; M199-V202 PolarHBondContact O-N 2.84Å; M199-V202 HydrophobicContact SD-CB 4.4Å; M199-I203 HydrophobicContact CG-CD1 4.46Å; M199-I203 VanDerWaalsContact O-CG1 3.31Å; M199-I203 WeakPolarHBondContact O-CG1 3.35Å; M199-I203 PolarHBondContact O-N 2.82Å
200N94.9Very high87.5Confident4 Ų449 Ų492%0.02125%0.252CS..Hα-helixtrans-58.5-36.3174.7-76-33.1000112.5L130 E137 L141 A196 A197 I203 Q204L130-N200 HydrophobicContact CD2-CB 3.82Å; E137-N200 PolarHBondContact O-ND2 2.93Å; E137-N200 PolarHBondContact OE2-ND2 2.77Å; L141-N200 WeakPolarHBondContact CG-OD1 3.13Å; A196-N200 PolarHBondContact O-N 2.84Å; A196-N200 PolarHBondContact O-ND2 2.78Å; A197-N200 PolarHBondContact O-N 2.82Å; N200-I203 PolarHBondContact O-N 3.25Å; N200-Q204 VanDerWaalsContact O-CB 3.25Å; N200-Q204 WeakPolarHBondContact O-CB 3.34Å; N200-Q204 PolarHBondContact O-N 2.8Å
201K93.9Very high84.7Confident115 Ų11559.7 Ų59.750%0.529%0.29SS..Hα-helixtrans-64.2-41.8172.2-68.7172.7-173.7169.60112.2A197 E198 M199 Q204 S205A197-K201 WeakPolarHBondContact O-CG 3.46Å; A197-K201 PolarHBondContact O-N 2.85Å; E198-K201 WeakPolarHBondContact O-CB 3.39Å; E198-K201 PolarHBondContact O-N 2.95Å; E198-K201 IonicContact OE1-NZ 2.69Å; E198-K201 PolarHBondContact OE1-NZ 3.31Å; E198-K201 IonicContact OE2-NZ 3.87Å; M199-K201 VanDerWaalsContact C-N 3.26Å; M199-K201 PolarHBondContact O-N 2.81Å; K201-Q204 PolarHBondContact O-N 2.81Å; K201-S205 PolarHBondContact O-N 2.98Å
202V90.5Very high84.3Confident40 Ų4062.7 Ų62.724%0.24231%0.305CS..Hα-helixtrans-58.6-49.5173.2172.80000109.7Y179 V181 E198 M199 Q204 S205 F206Y179-V202 HydrophobicContact CD1-CG1 4.2Å; Y179-V202 HydrophobicContact CG-CG1 4.44Å; V181-V202 HydrophobicContact CG1-CG2 3.82Å; E198-V202 WeakPolarHBondContact O-CG2 3.41Å; E198-V202 PolarHBondContact O-N 3.38Å; M199-V202 WeakPolarHBondContact O-CA 3.32Å; M199-V202 WeakPolarHBondContact O-CB 3.36Å; M199-V202 PolarHBondContact O-N 2.84Å; M199-V202 HydrophobicContact SD-CB 4.4Å; V202-Q204 VanDerWaalsContact C-N 3.29Å; V202-Q204 PolarHBondContact O-N 3.16Å; V202-S205 PolarHBondContact O-N 2.81Å; V202-S205 PolarHBondContact O-OG 2.86Å; V202-F206 HydrophobicContact CG1-CD2 4.35Å; V202-F206 HydrophobicContact CG1-CE2 3.79Å; V202-F206 WeakPolarHBondContact O-CD2 3.49Å
203I91.3Very high83.7Confident0 Ų062.4 Ų62.40%031%0.306CS..Hα-helixtrans-56.6-46.8176.3-59.1-174.1000110.9F120 I126 L130 L141 I144 M199 N200 S205 F206 M207F120-I203 HydrophobicContact CD1-CB 4.03Å; F120-I203 HydrophobicContact CD1-CD1 4.31Å; F120-I203 HydrophobicContact CD1-CG1 3.83Å; F120-I203 HydrophobicContact CD1-CG2 3.53Å; F120-I203 HydrophobicContact CD2-CG1 4.38Å; F120-I203 HydrophobicContact CE1-CB 4.06Å; F120-I203 HydrophobicContact CE1-CD1 3.52Å; F120-I203 HydrophobicContact CE1-CG1 3.34Å; F120-I203 HydrophobicContact CE1-CG2 3.84Å; F120-I203 HydrophobicContact CE2-CG1 3.92Å; F120-I203 HydrophobicContact CG-CB 4.43Å; F120-I203 HydrophobicContact CG-CG1 4.36Å; F120-I203 HydrophobicContact CG-CG2 4.2Å; F120-I203 HydrophobicContact CZ-CB 4.45Å; F120-I203 HydrophobicContact CZ-CD1 3.79Å; F120-I203 HydrophobicContact CZ-CG1 3.43Å; F120-I203 VanDerWaalsContact CZ-CG1 3.43Å; I126-I203 HydrophobicContact CG2-CG2 4.05Å; L130-I203 HydrophobicContact CD1-CG2 4.08Å; L141-I203 HydrophobicContact CD2-CD1 3.97Å; I144-I203 HydrophobicContact CD1-CD1 4.04Å; I144-I203 HydrophobicContact CG2-CD1 4.01Å; M199-I203 HydrophobicContact CG-CD1 4.46Å; M199-I203 VanDerWaalsContact O-CG1 3.31Å; M199-I203 WeakPolarHBondContact O-CG1 3.35Å; M199-I203 PolarHBondContact O-N 2.82Å; N200-I203 PolarHBondContact O-N 3.25Å; I203-S205 VanDerWaalsContact C-N 3.33Å; I203-S205 PolarHBondContact O-N 3.35Å; I203-F206 PolarHBondContact O-N 3.08Å; I203-M207 HydrophobicContact CG2-CE 3.89Å; I203-M207 WeakPolarHBondContact O-CG 3.44Å; I203-M207 PolarHBondContact O-N 3.09Å
204Q90.9Very high83Confident75 Ų7562.8 Ų62.835%0.3531%0.308SS..Hα-helixtrans-64.7-35.3-176.2-168.5179.514.900112.7L130 N200 K201 V202 F206 M207 M208L130-Q204 HydrophobicContact CD1-CB 4Å; L130-Q204 HydrophobicContact CD1-CG 4.26Å; N200-Q204 VanDerWaalsContact O-CB 3.25Å; N200-Q204 WeakPolarHBondContact O-CB 3.34Å; N200-Q204 PolarHBondContact O-N 2.8Å; K201-Q204 PolarHBondContact O-N 2.81Å; V202-Q204 VanDerWaalsContact C-N 3.29Å; V202-Q204 PolarHBondContact O-N 3.16Å; Q204-F206 VanDerWaalsContact C-N 3.29Å; Q204-F206 PolarHBondContact O-N 3.19Å; Q204-M207 PolarHBondContact O-N 3.32Å; Q204-M207 VanDerWaalsContact O-N 3.13Å; Q204-M208 HydrophobicContact CG-CE 3.59Å; Q204-M208 PolarHBondContact O-N 3.08Å
205S88.7Confident82.3Confident51 Ų5161.6 Ų61.636%0.35730%0.304SS..Hα-helixtrans-60.6-42.9178.772.80000110.7K201 V202 I203 M207 M208 F209K201-S205 PolarHBondContact O-N 2.98Å; V202-S205 PolarHBondContact O-N 2.81Å; V202-S205 PolarHBondContact O-OG 2.86Å; I203-S205 VanDerWaalsContact C-N 3.33Å; I203-S205 PolarHBondContact O-N 3.35Å; S205-M207 VanDerWaalsContact C-N 3.33Å; S205-M207 PolarHBondContact O-N 2.98Å; S205-M208 PolarHBondContact O-N 3.21Å; S205-F209 WeakPolarHBondContact O-CD2 3.3Å
206F85Confident81.4Confident47 Ų4765.4 Ų65.421%0.20632%0.323CS..Hα-helixtrans-66.7-31176-69.4-78.6000114E119 F120 Y179 V202 I203 Q204 M208E119-F206 HydrophobicContact CG-CE1 4.37Å; F120-F206 HydrophobicContact CB-CB 3.32Å; F120-F206 HydrophobicContact CB-CD1 4.46Å; F120-F206 HydrophobicContact CB-CD2 3.68Å; F120-F206 HydrophobicContact CB-CG 3.61Å; F120-F206 AromaticContact CD2-CD2 3.54Å; F120-F206 HydrophobicContact CD2-CD2 3.54Å; F120-F206 AromaticContact CD2-CE2 3.84Å; F120-F206 HydrophobicContact CD2-CE2 3.84Å; F120-F206 HydrophobicContact CD2-CG 4.31Å; F120-F206 HydrophobicContact CG-CB 4.42Å; F120-F206 AromaticContact CG-CD2 3.99Å; F120-F206 HydrophobicContact CG-CD2 3.99Å; F120-F206 HydrophobicContact CG-CG 4.42Å; F120-F206 VanDerWaalsContact O-CB 3.31Å; F120-F206 WeakPolarHBondContact O-CB 3.36Å; Y179-F206 AromaticContact CE1-CE2 3.99Å; Y179-F206 HydrophobicContact CE1-CE2 3.99Å; Y179-F206 AromaticContact CE1-CZ 3.77Å; Y179-F206 HydrophobicContact CE1-CZ 3.77Å; Y179-F206 AromaticContact CZ-CE2 3.95Å; Y179-F206 AromaticContact CZ-CZ 3.68Å; Y179-F206 VanDerWaalsContact OH-CZ 3.32Å; Y179-F206 WeakPolarHBondContact OH-CZ 3.23Å; V202-F206 HydrophobicContact CG1-CD2 4.35Å; V202-F206 HydrophobicContact CG1-CE2 3.79Å; V202-F206 WeakPolarHBondContact O-CD2 3.49Å; I203-F206 PolarHBondContact O-N 3.08Å; Q204-F206 VanDerWaalsContact C-N 3.29Å; Q204-F206 PolarHBondContact O-N 3.19Å; F206-M208 VanDerWaalsContact C-N 3.3Å; F206-M208 PolarHBondContact O-N 2.81Å
207M82.3Confident80.4Confident9 Ų969.8 Ų69.84%0.04434%0.344CS..Hα-helixtrans-69.6-28.3176.8-60-63.6154.600112.4F120 T121 Y122 D123 I126 L130 I203 Q204 S205F120-M207 HydrophobicContact CB-CE 4Å; F120-M207 HydrophobicContact CD1-CE 4.23Å; T121-M207 VanDerWaalsContact O-CE 3.24Å; T121-M207 WeakPolarHBondContact O-CE 3.46Å; Y122-M207 WeakPolarHBondContact CD2-O 3.45Å; D123-M207 PolarHBondContact N-SD 3.47Å; I126-M207 HydrophobicContact CB-CE 4.24Å; I126-M207 HydrophobicContact CG2-CE 3.8Å; I126-M207 HydrophobicContact CG2-SD 4.43Å; L130-M207 HydrophobicContact CD1-CG 4.23Å; I203-M207 HydrophobicContact CG2-CE 3.89Å; I203-M207 WeakPolarHBondContact O-CG 3.44Å; I203-M207 PolarHBondContact O-N 3.09Å; Q204-M207 PolarHBondContact O-N 3.32Å; Q204-M207 VanDerWaalsContact O-N 3.13Å; S205-M207 VanDerWaalsContact C-N 3.33Å; S205-M207 PolarHBondContact O-N 2.98Å
208M69.2Low79.3Confident118 Ų11873.2 Ų73.258%0.58136%0.356SS*.Hα-helixtrans-88.4-10.5-176.7-71.7-161-104.100114.3Q204 S205 F206Q204-M208 HydrophobicContact CG-CE 3.59Å; Q204-M208 PolarHBondContact O-N 3.08Å; S205-M208 PolarHBondContact O-N 3.21Å; F206-M208 VanDerWaalsContact C-N 3.3Å; F206-M208 PolarHBondContact O-N 2.81Å
209F55.3Low78Confident174 Ų17474.5 Ų74.576%0.76336%0.363SS*.  trans-103.87-174.7-82-67000115.8S205 F211S205-F209 WeakPolarHBondContact O-CD2 3.3Å; F209-F211 PolarHBondContact O-N 3.25Å
210S43.6Very low76.6Confident69 Ų6980.8 Ų80.848%0.48339%0.393SS..  trans-91.485.2175.4-56.60000110.9
211F34.1Very low75Confident267 Ų26787.7 Ų87.7100%1.17143%0.427SS*.  trans-112.40164.2-76-80.1000110.2F209F209-F211 PolarHBondContact O-N 3.25Å

Retrieved 211 of 211 residues in 210.3 ms (Link to these results)

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