A0A3Q0KDD7_SCHMA Loading...

Rab GTPase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KDD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 396 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
1M37.2Very low77Confident240 Ų24060.9 Ų60.9100%1.18234%0.344SS*.  01130-67.6-175.6-147.300105.8A3M1-A3 PolarHBondContact O-N 3.39Å
2G42Very low78.6Confident64 Ų6455.8 Ų55.866%0.6632%0.316SS*.  trans-67.8129.3-17000000111.3S4G2-S4 PolarHBondContact O-N 3.21Å
3A57.3Low79.9Confident32 Ų3254.5 Ų54.526%0.26430%0.303SS..  trans-62130.4173.400000109.2M1 D16 E19 A20M1-A3 PolarHBondContact O-N 3.39Å; A3-D16 HydrophobicContact CB-CB 4.1Å; A3-E19 HydrophobicContact CB-CB 3.77Å; A3-A20 HydrophobicContact CB-CB 3.41Å; A3-A20 VanDerWaalsContact CB-CB 3.41Å
4S76.6Confident80.8Confident39 Ų3950.6 Ų50.627%0.27328%0.281SS..  trans-106.2140.9-170.165.40000111.9G2 D16 R120G2-S4 PolarHBondContact O-N 3.21Å; S4-D16 WeakPolarHBondContact CB-OD2 3.42Å; S4-D16 PolarHBondContact N-OD2 2.95Å; S4-D16 PolarHBondContact O-N 3.33Å; S4-D16 VanDerWaalsContact O-N 3.11Å; S4-D16 PolarHBondContact OG-OD2 3.17Å; S4-R120 PolarHBondContact OG-NE 3.45Å; S4-R120 PolarHBondContact OG-NH2 2.95Å
5I82.2Confident81.4Confident61 Ų6147.2 Ų47.231%0.31326%0.263SS..EExtended strand (participates in β ladder)trans-107.5110.8167.1-61.1-177.5000106.5Y13 I14 V15 A20 N25 A29I5-Y13 HydrophobicContact CG2-CD1 3.8Å; I5-Y13 HydrophobicContact CG2-CG 4.48Å; I5-I14 CarbonylContact C-O 3.59Å; I5-I14 WeakPolarHBondContact CA-O 3.45Å; I5-V15 HydrophobicContact CB-CG2 4.45Å; I5-V15 HydrophobicContact CG1-CG1 4.15Å; I5-V15 HydrophobicContact CG1-CG2 4.06Å; I5-V15 HydrophobicContact CG2-CG2 4.1Å; I5-A20 HydrophobicContact CG1-CB 3.92Å; I5-N25 HydrophobicContact CD1-CB 4.29Å; I5-A29 HydrophobicContact CD1-CB 4.08Å
6G86Confident81.7Confident12 Ų1245.1 Ų45.112%0.12425%0.251CS..EExtended strand (participates in β ladder)trans-101.7127.217700000111.1V8 Y13 I14G6-V8 PolarHBondContact O-N 3.47Å; G6-Y13 CarbonylContact O-C 3.53Å; G6-Y13 VanDerWaalsContact O-CA 3.28Å; G6-Y13 WeakPolarHBondContact O-CA 3.4Å; G6-I14 PolarHBondContact N-O 3.14Å; G6-I14 PolarHBondContact O-N 3.35Å
7K91.3Very high81.9Confident103 Ų10345.2 Ų45.245%0.44825%0.249SC..EExtended strand (participates in β ladder)trans-82.3113.5173.4-173.8-179.4177.9-173.30109.9L9 N10 Y13K7-L9 WeakPolarHBondContact CE-O 3.42Å; K7-L9 WeakPolarHBondContact CG-O 3.4Å; K7-N10 VanDerWaalsContact CE-OD1 3.31Å; K7-N10 WeakPolarHBondContact CE-OD1 3.16Å; K7-N10 PolarHBondContact NZ-OD1 2.86Å; K7-Y13 HydrophobicContact CB-CD1 4.05Å; K7-Y13 HydrophobicContact CB-CE1 3.88Å; K7-Y13 HydrophobicContact CD-CE1 4.36Å; K7-Y13 HydrophobicContact CG-CD1 4.32Å; K7-Y13 HydrophobicContact CG-CE1 3.91Å
8V93.4Very high81.9Confident0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-82.9-60.4-178.7177.20000110.2G6 L12 I14 I97 F101 C119 K167G6-V8 PolarHBondContact O-N 3.47Å; V8-L12 HydrophobicContact CB-CD2 4.22Å; V8-L12 HydrophobicContact CB-CG 4.02Å; V8-L12 HydrophobicContact CG1-CD2 3.9Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 PolarHBondContact N-O 3.03Å; V8-I14 HydrophobicContact CG2-CB 4.14Å; V8-I14 HydrophobicContact CG2-CD1 3.44Å; V8-I14 VanDerWaalsContact CG2-CD1 3.44Å; V8-I14 HydrophobicContact CG2-CG1 3.49Å; V8-I14 VanDerWaalsContact CG2-CG1 3.49Å; V8-I97 HydrophobicContact CG1-CG2 3.97Å; V8-I97 HydrophobicContact CG2-CD1 4.27Å; V8-F101 HydrophobicContact CG1-CE1 3.9Å; V8-F101 HydrophobicContact CG1-CE2 4.36Å; V8-F101 HydrophobicContact CG1-CZ 3.42Å; V8-F101 VanDerWaalsContact CG1-CZ 3.42Å; V8-C119 HydrophobicContact CB-CB 4.45Å; V8-C119 HydrophobicContact CG1-CB 4.44Å; V8-C119 HydrophobicContact CG2-CB 3.99Å; V8-K167 WeakPolarHBondContact O-CE 3.31Å; V8-K167 PolarHBondContact O-NZ 2.77Å
9L94.3Very high81.7Confident0 Ų048.9 Ų48.90%027%0.273CS..EExtended strand (participates in β ladder)trans-132.8179.4173.4-65.7178.9000109.1K7 Y11 L12 Y100 F101 D164 K167 I168K7-L9 WeakPolarHBondContact CE-O 3.42Å; K7-L9 WeakPolarHBondContact CG-O 3.4Å; L9-Y11 PolarHBondContact O-N 3.13Å; L9-L12 HydrophobicContact CB-CB 4.27Å; L9-L12 PolarHBondContact N-O 2.89Å; L9-L12 PolarHBondContact O-N 2.82Å; L9-L12 VanDerWaalsContact O-O 3.12Å; L9-Y100 HydrophobicContact CD1-CE1 4.3Å; L9-F101 HydrophobicContact CD1-CD1 4.41Å; L9-F101 HydrophobicContact CD1-CE1 3.51Å; L9-F101 HydrophobicContact CD1-CZ 4.08Å; L9-F101 HydrophobicContact CD2-CZ 4.3Å; L9-F101 HydrophobicContact CG-CE1 3.88Å; L9-F101 HydrophobicContact CG-CZ 3.97Å; L9-D164 HydrophobicContact CD1-CB 4.13Å; L9-K167 HydrophobicContact CD2-CB 4.05Å; L9-K167 HydrophobicContact CD2-CD 3.68Å; L9-K167 HydrophobicContact CD2-CG 3.91Å; L9-I168 HydrophobicContact CD1-CD1 4.45Å; L9-I168 HydrophobicContact CD2-CG1 4.48Å
10N92.6Very high81.6Confident41 Ų4146.6 Ų46.622%0.21926%0.26CS..THydrogen-bonded Turntrans-59.1129.8168.5-71-25.8000109.5K7 L12 R76 E163K7-N10 VanDerWaalsContact CE-OD1 3.31Å; K7-N10 WeakPolarHBondContact CE-OD1 3.16Å; K7-N10 PolarHBondContact NZ-OD1 2.86Å; N10-L12 PolarHBondContact O-N 3.37Å; N10-R76 PolarHBondContact O-NE 3.35Å; N10-R76 PolarHBondContact O-NH2 2.87Å; N10-E163 PolarHBondContact ND2-OE1 2.83Å; N10-E163 PolarHBondContact ND2-OE2 3.26Å
11Y94.1Very high81.5Confident78 Ų7845.1 Ų45.131%0.30625%0.252SS..THydrogen-bonded Turntrans667.6-177.1-51.4-83.9000116.3L9 R79 N81 I82L9-Y11 PolarHBondContact O-N 3.13Å; Y11-R79 HydrophobicContact CD1-CB 4.34Å; Y11-R79 VanDerWaalsContact CD1-O 3.26Å; Y11-R79 WeakPolarHBondContact CD1-O 3.31Å; Y11-R79 HydrophobicContact CE1-CB 3.83Å; Y11-R79 VanDerWaalsContact CE1-O 3.24Å; Y11-R79 WeakPolarHBondContact CE1-O 3.47Å; Y11-R79 HydrophobicContact CE2-CB 4.48Å; Y11-N81 WeakPolarHBondContact CD1-OD1 3.36Å; Y11-I82 VanDerWaalsContact O-CG2 3.23Å; Y11-I82 WeakPolarHBondContact O-CG2 3.5Å; Y11-I82 PolarHBondContact O-N 2.97Å
12L96.8Very high83.6Confident0 Ų036.5 Ų36.50%021%0.213CC..EExtended strand (participates in β ladder)trans-125.4125.8178.8178.161.2000111.1V8 L9 N10 I72 I82 V84 I97 Y100 F101V8-L12 HydrophobicContact CB-CD2 4.22Å; V8-L12 HydrophobicContact CB-CG 4.02Å; V8-L12 HydrophobicContact CG1-CD2 3.9Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 PolarHBondContact N-O 3.03Å; L9-L12 HydrophobicContact CB-CB 4.27Å; L9-L12 PolarHBondContact N-O 2.89Å; L9-L12 PolarHBondContact O-N 2.82Å; L9-L12 VanDerWaalsContact O-O 3.12Å; N10-L12 PolarHBondContact O-N 3.37Å; L12-I72 HydrophobicContact CD1-CG1 4.34Å; L12-I72 HydrophobicContact CD1-CG2 3.88Å; L12-I72 HydrophobicContact CD2-CG2 3.98Å; L12-I72 HydrophobicContact CG-CG2 4.48Å; L12-I82 HydrophobicContact CD1-CG2 3.8Å; L12-V84 HydrophobicContact CD1-CG2 4.06Å; L12-I97 HydrophobicContact CD2-CG2 4.34Å; L12-Y100 HydrophobicContact CD2-CD1 4.27Å; L12-Y100 HydrophobicContact CD2-CE1 4.42Å; L12-F101 HydrophobicContact CD2-CE1 4.47Å
13Y94.4Very high85.5Confident38 Ų3836.3 Ų36.315%0.14920%0.197CC..EExtended strand (participates in β ladder)trans-127.1147.7-176.1-61.5-97.3000111.3I5 G6 K7 I31 N81 I82 A83 V84I5-Y13 HydrophobicContact CG2-CD1 3.8Å; I5-Y13 HydrophobicContact CG2-CG 4.48Å; G6-Y13 CarbonylContact O-C 3.53Å; G6-Y13 VanDerWaalsContact O-CA 3.28Å; G6-Y13 WeakPolarHBondContact O-CA 3.4Å; K7-Y13 HydrophobicContact CB-CD1 4.05Å; K7-Y13 HydrophobicContact CB-CE1 3.88Å; K7-Y13 HydrophobicContact CD-CE1 4.36Å; K7-Y13 HydrophobicContact CG-CD1 4.32Å; K7-Y13 HydrophobicContact CG-CE1 3.91Å; Y13-I31 HydrophobicContact CD2-CD1 3.72Å; Y13-I31 HydrophobicContact CE2-CD1 4.25Å; Y13-I31 HydrophobicContact CG-CD1 3.98Å; Y13-N81 HydrophobicContact CD2-CB 4.3Å; Y13-N81 HydrophobicContact CE2-CB 3.88Å; Y13-I82 PolarHBondContact N-O 3.14Å; Y13-A83 CarbonylContact O-C 3.58Å; Y13-A83 WeakPolarHBondContact O-CA 3.26Å; Y13-V84 PolarHBondContact O-N 3.05Å
14I92.8Very high86.8Confident0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-100.4132.5161.6-75.7163.9000107.2I5 G6 V8 I86 I97 V116 C119 L123I5-I14 CarbonylContact C-O 3.59Å; I5-I14 WeakPolarHBondContact CA-O 3.45Å; G6-I14 PolarHBondContact N-O 3.14Å; G6-I14 PolarHBondContact O-N 3.35Å; V8-I14 HydrophobicContact CG2-CB 4.14Å; V8-I14 HydrophobicContact CG2-CD1 3.44Å; V8-I14 VanDerWaalsContact CG2-CD1 3.44Å; V8-I14 HydrophobicContact CG2-CG1 3.49Å; V8-I14 VanDerWaalsContact CG2-CG1 3.49Å; I14-I86 HydrophobicContact CB-CD1 4.46Å; I14-I86 HydrophobicContact CD1-CD1 4.43Å; I14-I86 HydrophobicContact CG1-CD1 4.27Å; I14-I86 HydrophobicContact CG2-CD1 3.39Å; I14-I86 HydrophobicContact CG2-CG1 4Å; I14-I97 HydrophobicContact CD1-CD1 3.6Å; I14-I97 HydrophobicContact CG1-CD1 3.25Å; I14-V116 HydrophobicContact CD1-CG1 4.22Å; I14-C119 HydrophobicContact CD1-CB 4.41Å; I14-L123 HydrophobicContact CD1-CD2 3.79Å
15V89.7Confident87.2Confident0 Ų039.5 Ų39.50%021%0.213CC..EExtended strand (participates in β ladder)trans-131.9130.4-178.7178.80000109.4I5 A20 T21 A83 V84 I85 I86I5-V15 HydrophobicContact CB-CG2 4.45Å; I5-V15 HydrophobicContact CG1-CG1 4.15Å; I5-V15 HydrophobicContact CG1-CG2 4.06Å; I5-V15 HydrophobicContact CG2-CG2 4.1Å; V15-A20 HydrophobicContact CG1-CB 3.71Å; V15-T21 HydrophobicContact CG1-CG2 3.83Å; V15-A83 HydrophobicContact CB-CB 4.32Å; V15-A83 HydrophobicContact CG2-CB 3.6Å; V15-V84 PolarHBondContact N-O 3.14Å; V15-I85 HydrophobicContact CB-CD1 3.8Å; V15-I85 HydrophobicContact CG1-CD1 4.2Å; V15-I85 CarbonylContact O-C 3.6Å; V15-I85 WeakPolarHBondContact O-CA 3.29Å; V15-I86 PolarHBondContact O-N 2.88Å
16D87.2Confident87.4Confident14 Ų1436.9 Ų36.98%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-71.4132.6173-65.6-34.7000111.5A3 S4 A20 I86 R120A3-D16 HydrophobicContact CB-CB 4.1Å; S4-D16 WeakPolarHBondContact CB-OD2 3.42Å; S4-D16 PolarHBondContact N-OD2 2.95Å; S4-D16 PolarHBondContact O-N 3.33Å; S4-D16 VanDerWaalsContact O-N 3.11Å; S4-D16 PolarHBondContact OG-OD2 3.17Å; D16-A20 WeakPolarHBondContact O-CB 3.45Å; D16-I86 CarbonylContact C-O 3.45Å; D16-R120 IonicContact OD1-CZ 2.69Å; D16-R120 IonicContact OD1-NE 3.44Å; D16-R120 PolarHBondContact OD1-NE 3.41Å; D16-R120 IonicContact OD1-NH1 3.22Å; D16-R120 PolarHBondContact OD1-NH1 3.36Å; D16-R120 IonicContact OD1-NH2 3.34Å; D16-R120 PolarHBondContact OD1-NH2 3.36Å; D16-R120 IonicContact OD2-CZ 2.65Å; D16-R120 VanDerWaalsContact OD2-CZ 3.22Å; D16-R120 IonicContact OD2-NE 3.95Å; D16-R120 PolarHBondContact OD2-NE 2.89Å; D16-R120 IonicContact OD2-NH2 3.59Å; D16-R120 PolarHBondContact OD2-NH2 3.42Å
17H84.4Confident87.4Confident46 Ų4643 Ų4321%0.21322%0.223CC..SBendtrans-59.2139.3169.2-169.7-87.7000110.3I85 I86 E87H17-I85 HydrophobicContact CB-CG2 3.93Å; H17-I86 PolarHBondContact N-O 3.15Å; H17-E87 HydrophobicContact CB-CG 4.35Å
18G81.2Confident87.2Confident36 Ų3646.5 Ų46.537%0.37124%0.238SC..SBendtrans113.7-127.6-177.600000112.2A20 T21G18-A20 VanDerWaalsContact C-N 3.27Å; G18-A20 PolarHBondContact O-N 3.19Å; G18-T21 PolarHBondContact N-OG1 3.24Å; G18-T21 PolarHBondContact O-N 2.93Å; G18-T21 PolarHBondContact O-OG1 3.24Å
19E78.9Confident86.8Confident126 Ų12647.5 Ų47.559%0.58925%0.247SC*.G310 helixtrans-61-32.2-172.8-173.4-176.6-174.500113.2A3 T21 T22 N25A3-E19 HydrophobicContact CB-CB 3.77Å; E19-T21 VanDerWaalsContact C-N 3.29Å; E19-T21 PolarHBondContact O-N 3.13Å; E19-T22 WeakPolarHBondContact O-CB 3.48Å; E19-T22 WeakPolarHBondContact O-CG2 3.43Å; E19-T22 PolarHBondContact O-N 2.85Å; E19-T22 PolarHBondContact O-OG1 2.98Å; E19-N25 PolarHBondContact O-ND2 2.95Å
20A78.7Confident86.7Confident1 Ų154.9 Ų54.91%0.00828%0.279CS..G310 helixtrans-75.2-21179.100000112.5A3 I5 V15 D16 G18 T22 N25A3-A20 HydrophobicContact CB-CB 3.41Å; A3-A20 VanDerWaalsContact CB-CB 3.41Å; I5-A20 HydrophobicContact CG1-CB 3.92Å; V15-A20 HydrophobicContact CG1-CB 3.71Å; D16-A20 WeakPolarHBondContact O-CB 3.45Å; G18-A20 VanDerWaalsContact C-N 3.27Å; G18-A20 PolarHBondContact O-N 3.19Å; A20-T22 VanDerWaalsContact C-N 3.29Å; A20-N25 WeakPolarHBondContact O-CB 3.4Å
21T81Confident86.6Confident16 Ų1653.5 Ų53.510%0.09827%0.271CS..G310 helixtrans-86.18.7172.1520000114V15 G18 E19 L26 M34 I85V15-T21 HydrophobicContact CG1-CG2 3.83Å; G18-T21 PolarHBondContact N-OG1 3.24Å; G18-T21 PolarHBondContact O-N 2.93Å; G18-T21 PolarHBondContact O-OG1 3.24Å; E19-T21 VanDerWaalsContact C-N 3.29Å; E19-T21 PolarHBondContact O-N 3.13Å; T21-L26 WeakPolarHBondContact O-CD1 3.42Å; T21-M34 HydrophobicContact CG2-CE 4.27Å; T21-I85 HydrophobicContact CG2-CD1 4.03Å; T21-I85 HydrophobicContact CG2-CG2 3.92Å
22T81.7Confident86.4Confident59 Ų5952.7 Ų52.736%0.36227%0.274SS..SBendtrans-67.1146.5172.557.10000111.4E19 A20 S24 N25 L26E19-T22 WeakPolarHBondContact O-CB 3.48Å; E19-T22 WeakPolarHBondContact O-CG2 3.43Å; E19-T22 PolarHBondContact O-N 2.85Å; E19-T22 PolarHBondContact O-OG1 2.98Å; A20-T22 VanDerWaalsContact C-N 3.29Å; T22-S24 PolarHBondContact O-N 3.4Å; T22-S24 VanDerWaalsContact O-N 3.1Å; T22-N25 PolarHBondContact O-N 2.86Å; T22-N25 PolarHBondContact OG1-ND2 3.05Å; T22-L26 WeakPolarHBondContact O-CG 3.36Å; T22-L26 PolarHBondContact O-N 2.88Å
23D81.1Confident86.2Confident60 Ų6052.7 Ų52.732%0.32128%0.275SS..Hα-helixtrans-51.5-38.5179.8-81-39.3000113K27 N45D23-K27 VanDerWaalsContact O-CB 3.25Å; D23-K27 WeakPolarHBondContact O-CB 3.48Å; D23-K27 WeakPolarHBondContact O-CG 3.43Å; D23-K27 PolarHBondContact O-N 2.92Å; D23-N45 PolarHBondContact OD1-ND2 3.22Å
24S84Confident86.1Confident88 Ų8850.9 Ų50.962%0.61527%0.268SS*.Hα-helixtrans-62.6-47.5178.3-1750000111.9T22 K27 K28T22-S24 PolarHBondContact O-N 3.4Å; T22-S24 VanDerWaalsContact O-N 3.1Å; S24-K27 PolarHBondContact O-N 2.91Å; S24-K28 VanDerWaalsContact O-CB 3.31Å; S24-K28 WeakPolarHBondContact O-CB 3.49Å; S24-K28 PolarHBondContact O-N 3.28Å
25N85.7Confident86.2Confident50 Ų5050.9 Ų50.927%0.26727%0.268SS..Hα-helixtrans-70-41-179.2-76-27.4000111.8I5 E19 A20 T22 K28 A29I5-N25 HydrophobicContact CD1-CB 4.29Å; E19-N25 PolarHBondContact O-ND2 2.95Å; A20-N25 WeakPolarHBondContact O-CB 3.4Å; T22-N25 PolarHBondContact O-N 2.86Å; T22-N25 PolarHBondContact OG1-ND2 3.05Å; N25-K28 PolarHBondContact O-N 3.48Å; N25-A29 PolarHBondContact O-N 3.4Å
26L85.7Confident86.3Confident6 Ų651 Ų513%0.03127%0.268CS..Hα-helixtrans-63.1-44.3175.4-64.7179.7000111.6T21 T22 A29 K30 I31 M34 P46T21-L26 WeakPolarHBondContact O-CD1 3.42Å; T22-L26 WeakPolarHBondContact O-CG 3.36Å; T22-L26 PolarHBondContact O-N 2.88Å; L26-A29 CarbonylContact O-C 3.47Å; L26-A29 PolarHBondContact O-N 3.09Å; L26-K30 PolarHBondContact O-N 2.72Å; L26-I31 HydrophobicContact CB-CB 4.35Å; L26-I31 HydrophobicContact CD2-CB 4.13Å; L26-I31 HydrophobicContact CD2-CG1 4.02Å; L26-I31 HydrophobicContact CD2-CG2 4.29Å; L26-I31 PolarHBondContact O-N 2.9Å; L26-M34 HydrophobicContact CD1-CE 4.21Å; L26-M34 HydrophobicContact CD1-SD 3.84Å; L26-P46 HydrophobicContact CD1-CG 4.28Å
27K86.2Confident86.4Confident142 Ų14250.6 Ų50.662%0.61727%0.266SS*.Hα-helixtrans-62.9-41.6174.4-76.3175.3-178.8179.60112.1D23 S24 A29 K30D23-K27 VanDerWaalsContact O-CB 3.25Å; D23-K27 WeakPolarHBondContact O-CB 3.48Å; D23-K27 WeakPolarHBondContact O-CG 3.43Å; D23-K27 PolarHBondContact O-N 2.92Å; S24-K27 PolarHBondContact O-N 2.91Å; K27-A29 VanDerWaalsContact C-N 3.33Å; K27-A29 PolarHBondContact O-N 3.26Å; K27-K30 WeakPolarHBondContact O-CA 3.36Å; K27-K30 PolarHBondContact O-N 3.22Å
28K87.1Confident86.3Confident175 Ų17550.3 Ų50.376%0.76127%0.268SS*.Hα-helixtrans-61.8-40.7177.2-174.3179179.4-178.70112.1S24 N25 K30S24-K28 VanDerWaalsContact O-CB 3.31Å; S24-K28 WeakPolarHBondContact O-CB 3.49Å; S24-K28 PolarHBondContact O-N 3.28Å; N25-K28 PolarHBondContact O-N 3.48Å; K28-K30 PolarHBondContact O-N 2.95Å
29A85.7Confident85.8Confident21 Ų2153.4 Ų53.417%0.17427%0.273CS..THydrogen-bonded Turntrans-80.7-0.1173.800000113.5I5 N25 L26 K27 I31 N81I5-A29 HydrophobicContact CD1-CB 4.08Å; N25-A29 PolarHBondContact O-N 3.4Å; L26-A29 CarbonylContact O-C 3.47Å; L26-A29 PolarHBondContact O-N 3.09Å; K27-A29 VanDerWaalsContact C-N 3.33Å; K27-A29 PolarHBondContact O-N 3.26Å; A29-I31 HydrophobicContact CB-CD1 3.99Å; A29-I31 HydrophobicContact CB-CG1 3.82Å; A29-I31 PolarHBondContact O-N 3.38Å; A29-N81 PolarHBondContact O-ND2 3.2Å
30K91.3Very high85.3Confident156 Ų15653.7 Ų53.768%0.67827%0.272SS*.THydrogen-bonded Turntrans5334.5-176.1-55.4-179.2179.2-177.20112.8L26 K27 K28 T32 N81L26-K30 PolarHBondContact O-N 2.72Å; K27-K30 WeakPolarHBondContact O-CA 3.36Å; K27-K30 PolarHBondContact O-N 3.22Å; K28-K30 PolarHBondContact O-N 2.95Å; K30-T32 PolarHBondContact O-N 2.84Å; K30-N81 WeakPolarHBondContact O-CB 3.37Å; K30-N81 PolarHBondContact O-ND2 2.95Å
31I90.6Very high84.5Confident12 Ų1253.9 Ų53.96%0.06227%0.273CS..EExtended strand (participates in β ladder)trans-67122.5178.8-58-53.5000109Y13 L26 A29 C33 M34 P46 N81 A83Y13-I31 HydrophobicContact CD2-CD1 3.72Å; Y13-I31 HydrophobicContact CE2-CD1 4.25Å; Y13-I31 HydrophobicContact CG-CD1 3.98Å; L26-I31 HydrophobicContact CB-CB 4.35Å; L26-I31 HydrophobicContact CD2-CB 4.13Å; L26-I31 HydrophobicContact CD2-CG1 4.02Å; L26-I31 HydrophobicContact CD2-CG2 4.29Å; L26-I31 PolarHBondContact O-N 2.9Å; A29-I31 HydrophobicContact CB-CD1 3.99Å; A29-I31 HydrophobicContact CB-CG1 3.82Å; A29-I31 PolarHBondContact O-N 3.38Å; I31-C33 WeakPolarHBondContact CG2-O 3.02Å; I31-M34 HydrophobicContact CG2-CG 4.03Å; I31-P46 HydrophobicContact CG2-CG 4.37Å; I31-N81 WeakPolarHBondContact CA-O 3.32Å; I31-N81 HydrophobicContact CD1-CB 4.01Å; I31-A83 HydrophobicContact CD1-CB 4.09Å; I31-A83 HydrophobicContact CG1-CB 4.2Å; I31-A83 HydrophobicContact CG2-CB 3.61Å
32T91.2Very high83.5Confident60 Ų6058.5 Ų58.537%0.36830%0.303SS..EExtended strand (participates in β ladder)trans-111.8-20.7179.952.10000112.3K30 P46 H47 E80 N81K30-T32 PolarHBondContact O-N 2.84Å; T32-P46 CarbonylContact O-C 3.52Å; T32-P46 VanDerWaalsContact O-CA 3.31Å; T32-P46 WeakPolarHBondContact O-CA 3.38Å; T32-P46 VanDerWaalsContact O-CB 3.3Å; T32-P46 WeakPolarHBondContact O-CB 3.32Å; T32-H47 PolarHBondContact O-N 3.26Å; T32-E80 VanDerWaalsContact OG1-CB 3.27Å; T32-E80 WeakPolarHBondContact OG1-CB 3.45Å; T32-N81 PolarHBondContact N-O 3.34Å; T32-N81 PolarHBondContact OG1-N 3.27Å; T32-N81 PolarHBondContact OG1-O 3.37Å
33C92.3Very high82.4Confident1 Ų163 Ų631%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-128.9146.2177.1-510000111.2I31 H47 F71 S75 E80 N81 I82 A83I31-C33 WeakPolarHBondContact CG2-O 3.02Å; C33-H47 CarbonylContact C-O 3.56Å; C33-H47 WeakPolarHBondContact CA-O 3.47Å; C33-F71 HydrophobicContact CB-CE1 4.47Å; C33-F71 HydrophobicContact CB-CZ 4.21Å; C33-S75 PolarHBondContact SG-OG 3.19Å; C33-E80 PolarHBondContact SG-OE2 3.45Å; C33-N81 PolarHBondContact N-O 2.83Å; C33-I82 HydrophobicContact CB-CB 3.98Å; C33-I82 HydrophobicContact CB-CD1 4.09Å; C33-I82 HydrophobicContact CB-CG1 4.04Å; C33-I82 WeakPolarHBondContact O-CA 3.26Å; C33-A83 PolarHBondContact O-N 3.38Å
34M91.8Very high81.3Confident0 Ų063.4 Ų63.40%032%0.324CS..EExtended strand (participates in β ladder)trans-132.1139.6176.8-69.9174.474.700110.9T21 L26 I31 P41 P46 H47 W48 K49 A83 I85T21-M34 HydrophobicContact CG2-CE 4.27Å; L26-M34 HydrophobicContact CD1-CE 4.21Å; L26-M34 HydrophobicContact CD1-SD 3.84Å; I31-M34 HydrophobicContact CG2-CG 4.03Å; M34-P41 HydrophobicContact CE-CB 3.57Å; M34-P41 HydrophobicContact CE-CG 3.63Å; M34-P41 HydrophobicContact SD-CB 4.43Å; M34-P41 HydrophobicContact SD-CG 4.12Å; M34-P46 HydrophobicContact CG-CB 3.81Å; M34-P46 HydrophobicContact CG-CG 4Å; M34-P46 HydrophobicContact SD-CB 3.94Å; M34-P46 HydrophobicContact SD-CG 3.6Å; M34-H47 PolarHBondContact N-O 3.01Å; M34-W48 HydrophobicContact CB-CB 4.33Å; M34-W48 HydrophobicContact CB-CG 4.48Å; M34-W48 CarbonylContact O-C 3.59Å; M34-W48 WeakPolarHBondContact O-CA 3.42Å; M34-K49 PolarHBondContact O-N 3.24Å; M34-A83 CarbonylContact C-O 3.53Å; M34-A83 VanDerWaalsContact CA-O 3.32Å; M34-A83 WeakPolarHBondContact CA-O 3.36Å; M34-A83 HydrophobicContact CG-CB 4.45Å; M34-I85 HydrophobicContact CE-CD1 3.52Å; M34-I85 HydrophobicContact CE-CG1 3.63Å; M34-I85 HydrophobicContact CG-CD1 4.44Å
35L93.8Very high80.4Confident0 Ų064.3 Ų64.30%032%0.322CS..EExtended strand (participates in β ladder)trans-127129175.1177.962.2000109.9K49 L51 F71 I72 I82 A83 V84 I85 F96L35-K49 WeakPolarHBondContact CA-O 3.3Å; L35-K49 HydrophobicContact CD1-CB 4.22Å; L35-K49 HydrophobicContact CD1-CG 4.5Å; L35-L51 HydrophobicContact CD1-CD1 4.01Å; L35-L51 HydrophobicContact CD1-CG 4.34Å; L35-F71 HydrophobicContact CB-CD1 4.16Å; L35-F71 HydrophobicContact CB-CE1 4.29Å; L35-F71 HydrophobicContact CD1-CD1 4.19Å; L35-F71 HydrophobicContact CD2-CD1 4.47Å; L35-I72 HydrophobicContact CD2-CD1 3.97Å; L35-I72 HydrophobicContact CD2-CG1 3.93Å; L35-I82 HydrophobicContact CB-CD1 4.43Å; L35-A83 PolarHBondContact N-O 3.43Å; L35-V84 HydrophobicContact CB-CG2 4.43Å; L35-V84 HydrophobicContact CD2-CG2 4.38Å; L35-V84 WeakPolarHBondContact O-CA 3.4Å; L35-I85 PolarHBondContact O-N 3.32Å; L35-F96 HydrophobicContact CD1-CD2 4.38Å; L35-F96 HydrophobicContact CD1-CE2 4.27Å; L35-F96 HydrophobicContact CD2-CB 3.83Å; L35-F96 HydrophobicContact CD2-CD1 4.47Å; L35-F96 HydrophobicContact CD2-CD2 3.67Å; L35-F96 HydrophobicContact CD2-CE2 4.36Å; L35-F96 HydrophobicContact CD2-CG 3.75Å; L35-F96 HydrophobicContact CG-CD2 3.82Å; L35-F96 HydrophobicContact CG-CE2 4.13Å; L35-F96 HydrophobicContact CG-CG 4.39Å
36S92.2Very high79.9Confident2 Ų262.3 Ų62.31%0.01431%0.312CS..EExtended strand (participates in β ladder)trans-143150.9175.564.90000112.3Q39 W48 K49 H50 L51S36-Q39 PolarHBondContact OG-O 3.05Å; S36-W48 PolarHBondContact OG-NE1 3.46Å; S36-K49 PolarHBondContact N-O 3.07Å; S36-H50 WeakPolarHBondContact O-CA 3.48Å; S36-H50 PolarHBondContact O-ND1 3.49Å; S36-L51 PolarHBondContact O-N 3.1Å; S36-L51 VanDerWaalsContact O-N 3.1Å
37S90.7Very high79.9Confident5 Ų567.9 Ų67.94%0.03534%0.337CS..SBendtrans-95.6-20.1177.457.20000115H50 L51 S93S37-H50 PolarHBondContact O-CE1 2.92Å; S37-L51 VanDerWaalsContact CA-O 3.24Å; S37-L51 WeakPolarHBondContact CA-O 3.45Å; S37-S93 PolarHBondContact N-OG 3.46Å; S37-S93 PolarHBondContact OG-N 3.39Å; S37-S93 PolarHBondContact OG-OG 2.82Å
38T80.9Confident80Confident40 Ų4063.9 Ų63.925%0.24532%0.318CS..SBendtrans-116.5-68.6-169.349.60000112.4H50 E87T38-H50 PolarHBondContact O-CE1 2.69Å; T38-H50 VanDerWaalsContact O-CE1 3.23Å; T38-E87 WeakPolarHBondContact CB-OE1 3.33Å; T38-E87 WeakPolarHBondContact OG1-CG 3.35Å; T38-E87 PolarHBondContact OG1-OE1 3.1Å
39Q70.7Confident80.2Confident102 Ų10258.6 Ų58.648%0.47730%0.295SS..  trans-114.2146.1-170.1-73.3179.652.100113.1S36 E87S36-Q39 PolarHBondContact OG-O 3.05Å; Q39-E87 VanDerWaalsContact CG-OE1 3.26Å; Q39-E87 WeakPolarHBondContact CG-OE1 3.43Å; Q39-E87 PolarHBondContact NE2-OE1 2.79Å
40K67.8Low80.5Confident132 Ų13261.3 Ų61.357%0.57430%0.304SS*.  trans-69.7125.1166.6-177.8166.3-173.3-176.70109.6W48K40-W48 HydrophobicContact CB-CH2 3.24Å; K40-W48 HydrophobicContact CB-CZ2 3.65Å; K40-W48 HydrophobicContact CB-CZ3 3.78Å; K40-W48 HydrophobicContact CD-CE3 4.1Å; K40-W48 HydrophobicContact CD-CH2 3.71Å; K40-W48 HydrophobicContact CD-CZ3 3.33Å; K40-W48 HydrophobicContact CG-CD2 4.39Å; K40-W48 HydrophobicContact CG-CE3 3.81Å; K40-W48 HydrophobicContact CG-CH2 3.35Å; K40-W48 HydrophobicContact CG-CZ2 3.95Å; K40-W48 HydrophobicContact CG-CZ3 3.28Å
41P63.1Low80.6Confident5 Ų554.7 Ų54.73%0.03228%0.276CS..  trans-60.5138.5170.225.8-31.4000109.2M34 K43 W48M34-P41 HydrophobicContact CE-CB 3.57Å; M34-P41 HydrophobicContact CE-CG 3.63Å; M34-P41 HydrophobicContact SD-CB 4.43Å; M34-P41 HydrophobicContact SD-CG 4.12Å; P41-K43 PolarHBondContact O-N 3.06Å; P41-W48 HydrophobicContact CG-CD2 4.22Å; P41-W48 HydrophobicContact CG-CG 3.99Å
42P60.3Low80.5Confident112 Ų11258.4 Ų58.473%0.72729%0.294SS*.SBendtrans-61.1-18.3-166.817-29.3000115.1
43K58.8Low80.4Confident153 Ų15355.6 Ų55.667%0.66528%0.276SS*.SBendtrans-146.9118.2168.9-66.6-174.9-178.9178.40109.8P41 N45P41-K43 PolarHBondContact O-N 3.06Å; K43-N45 PolarHBondContact O-N 3.04Å
44P57.8Low79.9Confident70 Ų7059.4 Ų59.446%0.45529%0.294SS..  trans-85.292.7175.432-30000109.7W48P44-W48 HydrophobicContact CB-CB 4.3Å
45N65.3Low79.1Confident106 Ų10668.2 Ų68.257%0.56733%0.332SS*.SBendtrans-71.6-41.4155.3-100.1-39.4000110.6D23 K43D23-N45 PolarHBondContact OD1-ND2 3.22Å; K43-N45 PolarHBondContact O-N 3.04Å
46P74.8Confident78.1Confident9 Ų969 Ų696%0.05834%0.337CS..SBendtrans-79.1154.4173.6-20.137.5000112.7L26 I31 T32 M34 W48L26-P46 HydrophobicContact CD1-CG 4.28Å; I31-P46 HydrophobicContact CG2-CG 4.37Å; T32-P46 CarbonylContact O-C 3.52Å; T32-P46 VanDerWaalsContact O-CA 3.31Å; T32-P46 WeakPolarHBondContact O-CA 3.38Å; T32-P46 VanDerWaalsContact O-CB 3.3Å; T32-P46 WeakPolarHBondContact O-CB 3.32Å; M34-P46 HydrophobicContact CG-CB 3.81Å; M34-P46 HydrophobicContact CG-CG 4Å; M34-P46 HydrophobicContact SD-CB 3.94Å; M34-P46 HydrophobicContact SD-CG 3.6Å; P46-W48 PolarHBondContact O-N 2.88Å; P46-W48 VanDerWaalsContact O-N 3.11Å
47H85.9Confident77.7Confident123 Ų12371.4 Ų71.457%0.56936%0.363SS*.EExtended strand (participates in β ladder)trans-61.7113.8167.5179.663.4000109.3T32 C33 M34 F71T32-H47 PolarHBondContact O-N 3.26Å; C33-H47 CarbonylContact C-O 3.56Å; C33-H47 WeakPolarHBondContact CA-O 3.47Å; M34-H47 PolarHBondContact N-O 3.01Å; H47-F71 AromaticContact CD2-CE2 3.61Å; H47-F71 AromaticContact CD2-CZ 3.58Å; H47-F71 AromaticContact NE2-CE2 3.71Å; H47-F71 AromaticContact NE2-CZ 3.99Å
48W88.5Confident77.6Confident58 Ų5876.1 Ų76.122%0.2238%0.384CS..EExtended strand (participates in β ladder)trans-109.4132.9-173.1170.558.5000111.5M34 S36 K40 P41 P44 P46 H50M34-W48 HydrophobicContact CB-CB 4.33Å; M34-W48 HydrophobicContact CB-CG 4.48Å; M34-W48 CarbonylContact O-C 3.59Å; M34-W48 WeakPolarHBondContact O-CA 3.42Å; S36-W48 PolarHBondContact OG-NE1 3.46Å; K40-W48 HydrophobicContact CB-CH2 3.24Å; K40-W48 HydrophobicContact CB-CZ2 3.65Å; K40-W48 HydrophobicContact CB-CZ3 3.78Å; K40-W48 HydrophobicContact CD-CE3 4.1Å; K40-W48 HydrophobicContact CD-CH2 3.71Å; K40-W48 HydrophobicContact CD-CZ3 3.33Å; K40-W48 HydrophobicContact CG-CD2 4.39Å; K40-W48 HydrophobicContact CG-CE3 3.81Å; K40-W48 HydrophobicContact CG-CH2 3.35Å; K40-W48 HydrophobicContact CG-CZ2 3.95Å; K40-W48 HydrophobicContact CG-CZ3 3.28Å; P41-W48 HydrophobicContact CG-CD2 4.22Å; P41-W48 HydrophobicContact CG-CG 3.99Å; P44-W48 HydrophobicContact CB-CB 4.3Å; P46-W48 PolarHBondContact O-N 2.88Å; P46-W48 VanDerWaalsContact O-N 3.11Å; W48-H50 HydrophobicContact CH2-CB 3.71Å; W48-H50 HydrophobicContact CZ2-CB 3.41Å; W48-H50 VanDerWaalsContact CZ2-CB 3.41Å; W48-H50 AromaticContact CZ2-CG 3.83Å; W48-H50 AromaticContact CZ2-ND1 3.96Å
49K91.9Very high77.9Confident63 Ų6382.3 Ų82.327%0.27441%0.41SS..EExtended strand (participates in β ladder)trans-117.4130.7172.6-165.1172.6-172.1176.60110M34 L35 S36 L51 F71M34-K49 PolarHBondContact O-N 3.24Å; L35-K49 WeakPolarHBondContact CA-O 3.3Å; L35-K49 HydrophobicContact CD1-CB 4.22Å; L35-K49 HydrophobicContact CD1-CG 4.5Å; S36-K49 PolarHBondContact N-O 3.07Å; K49-L51 HydrophobicContact CD-CD1 4.4Å; K49-L51 HydrophobicContact CG-CG 4.32Å; K49-F71 HydrophobicContact CB-CD1 3.84Å; K49-F71 HydrophobicContact CB-CE1 3.53Å; K49-F71 HydrophobicContact CB-CE2 4.25Å; K49-F71 HydrophobicContact CB-CG 4.32Å; K49-F71 HydrophobicContact CB-CZ 3.75Å; K49-F71 HydrophobicContact CD-CB 3.83Å; K49-F71 HydrophobicContact CD-CD1 3.83Å; K49-F71 HydrophobicContact CD-CD2 3.66Å; K49-F71 HydrophobicContact CD-CE1 4.27Å; K49-F71 HydrophobicContact CD-CE2 4.11Å; K49-F71 HydrophobicContact CD-CG 3.49Å; K49-F71 VanDerWaalsContact CD-CG 3.49Å; K49-F71 HydrophobicContact CD-CZ 4.39Å; K49-F71 HydrophobicContact CG-CD1 4.45Å
50H91Very high78.9Confident78 Ų7881.8 Ų81.836%0.36141%0.41SS..EExtended strand (participates in β ladder)trans-108.8131.6174.6-175.254.9000109.8S36 S37 T38 W48S36-H50 WeakPolarHBondContact O-CA 3.48Å; S36-H50 PolarHBondContact O-ND1 3.49Å; S37-H50 PolarHBondContact O-CE1 2.92Å; T38-H50 PolarHBondContact O-CE1 2.69Å; T38-H50 VanDerWaalsContact O-CE1 3.23Å; W48-H50 HydrophobicContact CH2-CB 3.71Å; W48-H50 HydrophobicContact CZ2-CB 3.41Å; W48-H50 VanDerWaalsContact CZ2-CB 3.41Å; W48-H50 AromaticContact CZ2-CG 3.83Å; W48-H50 AromaticContact CZ2-ND1 3.96Å
51L92.8Very high80.1Confident18 Ų1878.7 Ų78.79%0.09440%0.395CS..  trans-138.8105.2177-67.8174.5000109.1L35 S36 S37 K49 L53 N64 A67 G68 F96L35-L51 HydrophobicContact CD1-CD1 4.01Å; L35-L51 HydrophobicContact CD1-CG 4.34Å; S36-L51 PolarHBondContact O-N 3.1Å; S36-L51 VanDerWaalsContact O-N 3.1Å; S37-L51 VanDerWaalsContact CA-O 3.24Å; S37-L51 WeakPolarHBondContact CA-O 3.45Å; K49-L51 HydrophobicContact CD-CD1 4.4Å; K49-L51 HydrophobicContact CG-CG 4.32Å; L51-L53 PolarHBondContact O-N 2.65Å; L51-N64 HydrophobicContact CB-CB 4.28Å; L51-N64 WeakPolarHBondContact CD1-O 3.49Å; L51-A67 HydrophobicContact CD1-CB 3.93Å; L51-A67 HydrophobicContact CD2-CB 4.32Å; L51-G68 VanDerWaalsContact CD1-CA 3.4Å; L51-F96 HydrophobicContact CB-CE1 4.09Å; L51-F96 HydrophobicContact CB-CZ 3.65Å; L51-F96 HydrophobicContact CD1-CE1 4.28Å; L51-F96 HydrophobicContact CD1-CZ 4.47Å; L51-F96 WeakPolarHBondContact O-CZ 3.46Å
52E89.8Confident81.5Confident90 Ų9080 Ų8042%0.42140%0.401SS..  trans-67.7128.8-176.2-172.2174.7-156.700111.4Q54 N64E52-Q54 VanDerWaalsContact CD-O 3.28Å; E52-Q54 WeakPolarHBondContact CG-O 3.05Å; E52-Q54 VanDerWaalsContact OE1-O 3.07Å; E52-N64 PolarHBondContact O-ND2 3.3Å
53L89.4Confident83.1Confident1 Ų177.8 Ų77.81%0.00539%0.388CS..  trans-105.6-29.2176.4-69.1-178.6000112.7L51 R61 N64 L65 A95 F96 Y129L51-L53 PolarHBondContact O-N 2.65Å; L53-R61 WeakPolarHBondContact O-CD 3.32Å; L53-R61 WeakPolarHBondContact O-CG 3.36Å; L53-N64 HydrophobicContact CD2-CB 4.24Å; L53-L65 HydrophobicContact CD1-CD2 4.13Å; L53-L65 HydrophobicContact CD2-CD2 3.7Å; L53-L65 HydrophobicContact CD2-CG 3.89Å; L53-A95 HydrophobicContact CD1-CB 4.12Å; L53-F96 HydrophobicContact CD1-CE1 4.02Å; L53-F96 HydrophobicContact CD1-CE2 4.11Å; L53-F96 HydrophobicContact CD1-CZ 3.73Å; L53-F96 HydrophobicContact CD2-CE1 3.81Å; L53-F96 HydrophobicContact CD2-CZ 3.96Å; L53-F96 HydrophobicContact CG-CE1 4.08Å; L53-F96 HydrophobicContact CG-CE2 4.47Å; L53-F96 HydrophobicContact CG-CZ 3.72Å; L53-Y129 HydrophobicContact CB-CE1 3.81Å; L53-Y129 HydrophobicContact CD1-CE1 4.16Å; L53-Y129 HydrophobicContact CD2-CE1 4.49Å; L53-Y129 HydrophobicContact CG-CE1 4.38Å
54Q81.6Confident84.8Confident81 Ų8171.6 Ų71.638%0.37936%0.362SS..SBendtrans-86.5132.1174.9-70.6-171.3-7.500111.4E52 P56 N90 E92E52-Q54 VanDerWaalsContact CD-O 3.28Å; E52-Q54 WeakPolarHBondContact CG-O 3.05Å; E52-Q54 VanDerWaalsContact OE1-O 3.07Å; Q54-P56 WeakPolarHBondContact O-CD 3.33Å; Q54-N90 PolarHBondContact NE2-ND2 2.79Å; Q54-E92 VanDerWaalsContact CG-CD 3.49Å; Q54-E92 WeakPolarHBondContact CG-OE1 3.19Å; Q54-E92 WeakPolarHBondContact CG-OE2 3.39Å; Q54-E92 PolarHBondContact NE2-OE1 2.91Å; Q54-E92 PolarHBondContact NE2-OE2 3.41Å; Q54-E92 VanDerWaalsContact NE2-OE2 3.1Å
55K73.9Confident86.6Confident185 Ų18568.2 Ų68.280%0.80434%0.341SS*.SBendtrans82.9-9.5173.5-49.4163.7-175.8169.10119.3
56P72.8Confident88Confident16 Ų1665.7 Ų65.710%0.10433%0.325CS..SBendtrans-77.1156.8167.318.1-13.7000111.5Q54 L60 R61Q54-P56 WeakPolarHBondContact O-CD 3.33Å; P56-L60 HydrophobicContact CB-CB 3.79Å; P56-L60 HydrophobicContact CB-CD2 3.47Å; P56-L60 VanDerWaalsContact CB-CD2 3.47Å; P56-L60 HydrophobicContact CB-CG 3.56Å; P56-L60 HydrophobicContact CG-CG 4.37Å; P56-R61 HydrophobicContact CB-CG 4.19Å; P56-R61 HydrophobicContact CG-CG 3.6Å; P56-R61 PolarHBondContact O-NE 2.64Å
57G85.2Confident89Confident53 Ų5366.6 Ų66.655%0.54633%0.333SS..  trans-54.5158.3168.100000111.7E59 L60 R61G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.25Å; G57-L60 PolarHBondContact O-N 3.17Å; G57-L60 VanDerWaalsContact O-N 3.09Å; G57-R61 PolarHBondContact O-N 3.12Å
58E87.3Confident89.5Confident103 Ų10360.8 Ų60.848%0.48131%0.306SS..Hα-helixtrans-51.2-45.5-177.8175159.7-179.100113.5L60 R61 I62 L132E58-L60 VanDerWaalsContact C-N 3.35Å; E58-L60 PolarHBondContact O-N 3.2Å; E58-R61 WeakPolarHBondContact O-CB 3.49Å; E58-R61 PolarHBondContact O-N 3.22Å; E58-I62 HydrophobicContact CG-CD1 4.03Å; E58-I62 WeakPolarHBondContact O-CG1 3.48Å; E58-I62 PolarHBondContact O-N 2.97Å; E58-L132 HydrophobicContact CG-CD2 3.53Å
59E88.4Confident89.9Confident171 Ų17158 Ų5880%0.79930%0.295SS*.Hα-helixtrans-60.2-42.8178.4-63.8-179.2172.400112.6G57 I62 S63G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.25Å; E59-I62 PolarHBondContact O-N 3.24Å; E59-S63 WeakPolarHBondContact O-CB 3.34Å; E59-S63 PolarHBondContact O-N 2.9Å
60L91Very high90.1Very high91 Ų9158.9 Ų58.948%0.47630%0.299SS..Hα-helixtrans-72.1-33.9179.4178.659.1000111.3P56 G57 E58 S63 N64P56-L60 HydrophobicContact CB-CB 3.79Å; P56-L60 HydrophobicContact CB-CD2 3.47Å; P56-L60 VanDerWaalsContact CB-CD2 3.47Å; P56-L60 HydrophobicContact CB-CG 3.56Å; P56-L60 HydrophobicContact CG-CG 4.37Å; G57-L60 PolarHBondContact O-N 3.17Å; G57-L60 VanDerWaalsContact O-N 3.09Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-L60 PolarHBondContact O-N 3.2Å; L60-S63 PolarHBondContact O-N 3.14Å; L60-N64 WeakPolarHBondContact O-CB 3.24Å; L60-N64 VanDerWaalsContact O-CG 3.29Å; L60-N64 PolarHBondContact O-N 3.4Å
61R92.2Very high90.4Very high66 Ų6655.7 Ų55.725%0.24928%0.284CS..Hα-helixtrans-61.3-46.8170.5-72.6-176.2-70.4166.93.2111.5L53 P56 G57 E58 N64 L65 L132L53-R61 WeakPolarHBondContact O-CD 3.32Å; L53-R61 WeakPolarHBondContact O-CG 3.36Å; P56-R61 HydrophobicContact CB-CG 4.19Å; P56-R61 HydrophobicContact CG-CG 3.6Å; P56-R61 PolarHBondContact O-NE 2.64Å; G57-R61 PolarHBondContact O-N 3.12Å; E58-R61 WeakPolarHBondContact O-CB 3.49Å; E58-R61 PolarHBondContact O-N 3.22Å; R61-N64 PolarHBondContact O-N 3.5Å; R61-L65 WeakPolarHBondContact O-CG 3.49Å; R61-L65 PolarHBondContact O-N 3.43Å; R61-L132 HydrophobicContact CB-CD1 3.97Å
62I92.7Very high90.6Very high34 Ų3454.8 Ų54.817%0.17428%0.28CS..Hα-helixtrans-60.9-45.9176-70.4169.6000110.7E58 E59 N64 L65 K66 L132 M136E58-I62 HydrophobicContact CG-CD1 4.03Å; E58-I62 WeakPolarHBondContact O-CG1 3.48Å; E58-I62 PolarHBondContact O-N 2.97Å; E59-I62 PolarHBondContact O-N 3.24Å; I62-N64 VanDerWaalsContact C-N 3.34Å; I62-N64 PolarHBondContact O-N 2.98Å; I62-L65 PolarHBondContact O-N 3.36Å; I62-K66 PolarHBondContact O-N 3.39Å; I62-L132 HydrophobicContact CD1-CD2 4.37Å; I62-L132 HydrophobicContact CG1-CB 4.24Å; I62-L132 HydrophobicContact CG1-CD2 4.25Å; I62-M136 HydrophobicContact CG2-CG 3.7Å; I62-M136 HydrophobicContact CG2-SD 3.84Å
63S93.3Very high90.9Very high65 Ų6550.5 Ų50.546%0.45526%0.26SS..Hα-helixtrans-58.1-44.8176.2-1750000111.9E59 L60 K66 A67E59-S63 WeakPolarHBondContact O-CB 3.34Å; E59-S63 PolarHBondContact O-N 2.9Å; L60-S63 PolarHBondContact O-N 3.14Å; S63-K66 PolarHBondContact O-N 2.83Å; S63-A67 VanDerWaalsContact O-CB 3.32Å; S63-A67 WeakPolarHBondContact O-CB 3.38Å; S63-A67 PolarHBondContact O-N 2.92Å
64N95.2Very high91.2Very high22 Ų2253.7 Ų53.712%0.11828%0.275CS..Hα-helixtrans-66.5-39.5177.4-75.7-11.4000112.4L51 E52 L53 L60 R61 I62 A67 G68 F96L51-N64 HydrophobicContact CB-CB 4.28Å; L51-N64 WeakPolarHBondContact CD1-O 3.49Å; E52-N64 PolarHBondContact O-ND2 3.3Å; L53-N64 HydrophobicContact CD2-CB 4.24Å; L60-N64 WeakPolarHBondContact O-CB 3.24Å; L60-N64 VanDerWaalsContact O-CG 3.29Å; L60-N64 PolarHBondContact O-N 3.4Å; R61-N64 PolarHBondContact O-N 3.5Å; I62-N64 VanDerWaalsContact C-N 3.34Å; I62-N64 PolarHBondContact O-N 2.98Å; N64-A67 PolarHBondContact O-N 3.01Å; N64-G68 PolarHBondContact O-N 2.79Å; N64-F96 WeakPolarHBondContact O-CE1 3.21Å
65L95.7Very high91.8Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-59.9-46.9173.5-72.1171000111.3L53 R61 I62 G68 A69 A95 F96 T99 Y129 L132 I133 M136L53-L65 HydrophobicContact CD1-CD2 4.13Å; L53-L65 HydrophobicContact CD2-CD2 3.7Å; L53-L65 HydrophobicContact CD2-CG 3.89Å; R61-L65 WeakPolarHBondContact O-CG 3.49Å; R61-L65 PolarHBondContact O-N 3.43Å; I62-L65 PolarHBondContact O-N 3.36Å; L65-G68 PolarHBondContact O-N 3.43Å; L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 3.25Å; L65-A95 HydrophobicContact CD2-CB 3.84Å; L65-F96 HydrophobicContact CD2-CD1 4.23Å; L65-F96 HydrophobicContact CD2-CE1 4.37Å; L65-T99 HydrophobicContact CB-CG2 4.2Å; L65-Y129 HydrophobicContact CD1-CD1 4.47Å; L65-L132 HydrophobicContact CD1-CB 4.17Å; L65-L132 HydrophobicContact CD1-CD1 4.49Å; L65-I133 HydrophobicContact CD1-CG1 4.2Å; L65-M136 HydrophobicContact CB-CE 4.24Å; L65-M136 HydrophobicContact CD1-CE 4.22Å
66K94.9Very high92.7Very high53 Ų5341.2 Ų41.223%0.2322%0.219CC..Hα-helixtrans-61-46.3174.4-74-167.8172-159.50111.8I62 S63 G68 A69 K70 M136 E148I62-K66 PolarHBondContact O-N 3.39Å; S63-K66 PolarHBondContact O-N 2.83Å; K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 3.3Å; K66-A69 PolarHBondContact O-N 2.87Å; K66-K70 WeakPolarHBondContact O-CB 3.29Å; K66-K70 PolarHBondContact O-N 2.98Å; K66-M136 HydrophobicContact CD-SD 4.39Å; K66-M136 HydrophobicContact CG-SD 3.69Å; K66-E148 IonicContact NZ-OE1 3.51Å; K66-E148 IonicContact NZ-OE2 2.84Å; K66-E148 PolarHBondContact NZ-OE2 3.39Å
67A95.3Very high93.7Very high28 Ų2841 Ų4123%0.23122%0.218CC..Hα-helixtrans-64.1-33.4179.800000112.9L51 S63 N64 F71L51-A67 HydrophobicContact CD1-CB 3.93Å; L51-A67 HydrophobicContact CD2-CB 4.32Å; S63-A67 VanDerWaalsContact O-CB 3.32Å; S63-A67 WeakPolarHBondContact O-CB 3.38Å; S63-A67 PolarHBondContact O-N 2.92Å; N64-A67 PolarHBondContact O-N 3.01Å; A67-F71 WeakPolarHBondContact O-CB 3.33Å; A67-F71 PolarHBondContact O-N 3.45Å
68G96.8Very high94Very high0 Ų042.3 Ų42.30%022%0.219CC..Hα-helixtrans-72.1-44.7174.800000112.1L51 N64 L65 K66 K70 F71 I72L51-G68 VanDerWaalsContact CD1-CA 3.4Å; N64-G68 PolarHBondContact O-N 2.79Å; L65-G68 PolarHBondContact O-N 3.43Å; K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 3.3Å; G68-K70 VanDerWaalsContact C-N 3.33Å; G68-K70 PolarHBondContact O-N 3.43Å; G68-F71 PolarHBondContact O-N 3.1Å; G68-I72 WeakPolarHBondContact O-CG1 3.27Å; G68-I72 PolarHBondContact O-N 2.84Å
69A97.3Very high94.2Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-61-41.5173.800000112L65 K66 I72 H73 T99 Y100 I103 L149L65-A69 WeakPolarHBondContact O-CB 3.42Å; L65-A69 PolarHBondContact O-N 3.25Å; K66-A69 PolarHBondContact O-N 2.87Å; A69-I72 PolarHBondContact O-N 3.34Å; A69-H73 PolarHBondContact O-N 3.26Å; A69-T99 HydrophobicContact CB-CG2 3.97Å; A69-Y100 HydrophobicContact CB-CD2 4.45Å; A69-Y100 WeakPolarHBondContact O-CD2 3.4Å; A69-I103 HydrophobicContact CB-CD1 4.18Å; A69-L149 HydrophobicContact CB-CD1 4.42Å
70K96.2Very high94.4Very high82 Ų8241.1 Ų41.136%0.35721%0.206SC..Hα-helixtrans-63.3-44.7175.2-170.2176.9-172.8-175.60112.1K66 G68 I72 H73 E74 L149K66-K70 WeakPolarHBondContact O-CB 3.29Å; K66-K70 PolarHBondContact O-N 2.98Å; G68-K70 VanDerWaalsContact C-N 3.33Å; G68-K70 PolarHBondContact O-N 3.43Å; K70-I72 VanDerWaalsContact C-N 3.33Å; K70-I72 PolarHBondContact O-N 2.92Å; K70-H73 WeakPolarHBondContact O-CA 3.1Å; K70-H73 WeakPolarHBondContact O-CB 3.42Å; K70-H73 PolarHBondContact O-N 3.31Å; K70-E74 WeakPolarHBondContact CE-OE1 3.44Å; K70-E74 HydrophobicContact CG-CG 4.32Å; K70-E74 IonicContact NZ-OE1 3.97Å; K70-E74 WeakPolarHBondContact O-CG 3.35Å; K70-E74 PolarHBondContact O-N 2.99Å; K70-L149 HydrophobicContact CB-CD1 4.45Å
71F96.3Very high94.6Very high10 Ų1037.8 Ų37.84%0.04419%0.189CC..Hα-helixtrans-61.5-41176.7-175.8-118.3000112.3C33 L35 H47 K49 A67 G68 H73 E74 S75 I82C33-F71 HydrophobicContact CB-CE1 4.47Å; C33-F71 HydrophobicContact CB-CZ 4.21Å; L35-F71 HydrophobicContact CB-CD1 4.16Å; L35-F71 HydrophobicContact CB-CE1 4.29Å; L35-F71 HydrophobicContact CD1-CD1 4.19Å; L35-F71 HydrophobicContact CD2-CD1 4.47Å; H47-F71 AromaticContact CD2-CE2 3.61Å; H47-F71 AromaticContact CD2-CZ 3.58Å; H47-F71 AromaticContact NE2-CE2 3.71Å; H47-F71 AromaticContact NE2-CZ 3.99Å; K49-F71 HydrophobicContact CB-CD1 3.84Å; K49-F71 HydrophobicContact CB-CE1 3.53Å; K49-F71 HydrophobicContact CB-CE2 4.25Å; K49-F71 HydrophobicContact CB-CG 4.32Å; K49-F71 HydrophobicContact CB-CZ 3.75Å; K49-F71 HydrophobicContact CD-CB 3.83Å; K49-F71 HydrophobicContact CD-CD1 3.83Å; K49-F71 HydrophobicContact CD-CD2 3.66Å; K49-F71 HydrophobicContact CD-CE1 4.27Å; K49-F71 HydrophobicContact CD-CE2 4.11Å; K49-F71 HydrophobicContact CD-CG 3.49Å; K49-F71 VanDerWaalsContact CD-CG 3.49Å; K49-F71 HydrophobicContact CD-CZ 4.39Å; K49-F71 HydrophobicContact CG-CD1 4.45Å; A67-F71 WeakPolarHBondContact O-CB 3.33Å; A67-F71 PolarHBondContact O-N 3.45Å; G68-F71 PolarHBondContact O-N 3.1Å; F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 3.03Å; F71-E74 PolarHBondContact O-N 3.23Å; F71-S75 PolarHBondContact O-N 2.93Å; F71-S75 VanDerWaalsContact O-N 3.07Å; F71-S75 PolarHBondContact O-OG 2.9Å; F71-I82 HydrophobicContact CD1-CD1 3.52Å; F71-I82 HydrophobicContact CE1-CD1 3.51Å; F71-I82 HydrophobicContact CG-CD1 4.4Å; F71-I82 HydrophobicContact CZ-CD1 4.38Å
72I97.1Very high94.7Very high0 Ų034.7 Ų34.70%018%0.177CC..Hα-helixtrans-57.1-47.6170.2-68.9166.1000110.7L12 L35 G68 A69 K70 R76 I82 V84 F96 I97 Y100L12-I72 HydrophobicContact CD1-CG1 4.34Å; L12-I72 HydrophobicContact CD1-CG2 3.88Å; L12-I72 HydrophobicContact CD2-CG2 3.98Å; L12-I72 HydrophobicContact CG-CG2 4.48Å; L35-I72 HydrophobicContact CD2-CD1 3.97Å; L35-I72 HydrophobicContact CD2-CG1 3.93Å; G68-I72 WeakPolarHBondContact O-CG1 3.27Å; G68-I72 PolarHBondContact O-N 2.84Å; A69-I72 PolarHBondContact O-N 3.34Å; K70-I72 VanDerWaalsContact C-N 3.33Å; K70-I72 PolarHBondContact O-N 2.92Å; I72-R76 HydrophobicContact CG2-CG 4.42Å; I72-R76 WeakPolarHBondContact O-CB 3.37Å; I72-R76 WeakPolarHBondContact O-CG 3.49Å; I72-R76 PolarHBondContact O-N 2.98Å; I72-R76 VanDerWaalsContact O-N 3.08Å; I72-I82 HydrophobicContact CG1-CD1 4.2Å; I72-V84 HydrophobicContact CD1-CG2 3.95Å; I72-V84 HydrophobicContact CG1-CG2 4.33Å; I72-F96 HydrophobicContact CD1-CB 4Å; I72-I97 HydrophobicContact CD1-CG1 4.3Å; I72-Y100 HydrophobicContact CB-CD2 4.36Å; I72-Y100 HydrophobicContact CB-CG 4.4Å; I72-Y100 HydrophobicContact CG2-CD1 3.79Å; I72-Y100 HydrophobicContact CG2-CD2 4.03Å; I72-Y100 HydrophobicContact CG2-CE1 3.92Å; I72-Y100 HydrophobicContact CG2-CE2 4.14Å; I72-Y100 HydrophobicContact CG2-CG 3.86Å
73H96.6Very high94.8Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-61-48.6-179.7-167.972.9000112.3A69 K70 F71 R76 C77 Y100 L149 F150 T153 Y156A69-H73 PolarHBondContact O-N 3.26Å; K70-H73 WeakPolarHBondContact O-CA 3.1Å; K70-H73 WeakPolarHBondContact O-CB 3.42Å; K70-H73 PolarHBondContact O-N 3.31Å; F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 3.03Å; H73-R76 PolarHBondContact O-N 3.45Å; H73-C77 PolarHBondContact NE2-SG 2.63Å; H73-C77 PolarHBondContact O-N 3.5Å; H73-C77 PolarHBondContact O-SG 2.83Å; H73-Y100 HydrophobicContact CB-CD2 4.44Å; H73-Y100 HydrophobicContact CB-CE2 3.73Å; H73-Y100 AromaticContact ND1-CE2 3.74Å; H73-L149 HydrophobicContact CB-CD1 3.8Å; H73-L149 HydrophobicContact CB-CD2 4.42Å; H73-L149 HydrophobicContact CB-CG 3.96Å; H73-L149 PolarHBondContact CD2-O 3.5Å; H73-F150 AromaticContact CE1-CD2 3.68Å; H73-F150 AromaticContact CE1-CE1 3.85Å; H73-F150 AromaticContact CE1-CE2 3.49Å; H73-F150 VanDerWaalsContact CE1-CE2 3.49Å; H73-F150 WeakPolarHBondContact CE1-CE2 3.15Å; H73-F150 AromaticContact CE1-CG 3.97Å; H73-F150 AromaticContact CE1-CZ 3.59Å; H73-F150 AromaticContact NE2-CD1 3.88Å; H73-F150 AromaticContact NE2-CD2 3.82Å; H73-F150 AromaticContact NE2-CG 3.74Å; H73-T153 PolarHBondContact NE2-OG1 2.93Å; H73-Y156 AromaticContact CE1-CD2 3.76Å
74E94.9Very high94.8Very high68 Ų6830 Ų3032%0.31815%0.147SC..Hα-helixtrans-59.9-51.3-179.7-72.5168.8169.900111.8K70 F71 R76 C77 S78 T153K70-E74 WeakPolarHBondContact CE-OE1 3.44Å; K70-E74 HydrophobicContact CG-CG 4.32Å; K70-E74 IonicContact NZ-OE1 3.97Å; K70-E74 WeakPolarHBondContact O-CG 3.35Å; K70-E74 PolarHBondContact O-N 2.99Å; F71-E74 PolarHBondContact O-N 3.23Å; E74-R76 VanDerWaalsContact C-N 3.27Å; E74-R76 PolarHBondContact O-N 2.66Å; E74-C77 WeakPolarHBondContact O-CB 3.21Å; E74-C77 PolarHBondContact O-N 2.8Å; E74-C77 VanDerWaalsContact O-N 3.14Å; E74-S78 PolarHBondContact O-N 2.77Å; E74-S78 PolarHBondContact O-OG 3.45Å; E74-T153 HydrophobicContact CG-CG2 3.83Å
75S94.2Very high94.6Very high3 Ų329.1 Ų29.12%0.02114%0.143CC..Hα-helixtrans-58.6-41.7176.6-63.80000111.6C33 F71 C77 S78 R79 E80C33-S75 PolarHBondContact SG-OG 3.19Å; F71-S75 PolarHBondContact O-N 2.93Å; F71-S75 VanDerWaalsContact O-N 3.07Å; F71-S75 PolarHBondContact O-OG 2.9Å; S75-C77 PolarHBondContact O-N 3.45Å; S75-S78 CarbonylContact O-C 3.6Å; S75-S78 PolarHBondContact O-N 2.86Å; S75-R79 PolarHBondContact O-N 2.96Å; S75-E80 WeakPolarHBondContact O-CB 3.21Å; S75-E80 PolarHBondContact O-N 3.19Å
76R94.4Very high94.4Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-64.3-41.7177.5-74.1-174.186-132.7-6.9111.5N10 I72 H73 E74 S78 R79 I82 Y100 Y156 R160 D164N10-R76 PolarHBondContact O-NE 3.35Å; N10-R76 PolarHBondContact O-NH2 2.87Å; I72-R76 HydrophobicContact CG2-CG 4.42Å; I72-R76 WeakPolarHBondContact O-CB 3.37Å; I72-R76 WeakPolarHBondContact O-CG 3.49Å; I72-R76 PolarHBondContact O-N 2.98Å; I72-R76 VanDerWaalsContact O-N 3.08Å; H73-R76 PolarHBondContact O-N 3.45Å; E74-R76 VanDerWaalsContact C-N 3.27Å; E74-R76 PolarHBondContact O-N 2.66Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.5Å; R76-R79 PolarHBondContact O-N 2.93Å; R76-R79 VanDerWaalsContact O-N 3.07Å; R76-I82 HydrophobicContact CG-CG2 4.23Å; R76-Y100 PolarHBondContact NH1-OH 3Å; R76-Y156 PolarHBondContact NH1-OH 2.76Å; R76-Y156 VanDerWaalsContact NH1-OH 3.16Å; R76-R160 PolarHBondContact O-NH1 2.85Å; R76-R160 PolarHBondContact O-NH2 2.85Å; R76-D164 IonicContact CZ-OD1 2.83Å; R76-D164 IonicContact CZ-OD2 2.78Å; R76-D164 IonicContact NH1-OD1 3.78Å; R76-D164 IonicContact NH1-OD2 2.9Å; R76-D164 PolarHBondContact NH1-OD2 3.3Å; R76-D164 IonicContact NH2-OD1 3.68Å; R76-D164 PolarHBondContact NH2-OD1 2.84Å; R76-D164 IonicContact NH2-OD2 2.73Å; R76-D164 PolarHBondContact NH2-OD2 3.13Å
77C93.2Very high93.9Very high11 Ų1128 Ų287%0.07414%0.138CC..Hα-helixtrans-59-44.1175.1-68.90000111.5H73 E74 S75 R79 S154H73-C77 PolarHBondContact NE2-SG 2.63Å; H73-C77 PolarHBondContact O-N 3.5Å; H73-C77 PolarHBondContact O-SG 2.83Å; E74-C77 WeakPolarHBondContact O-CB 3.21Å; E74-C77 PolarHBondContact O-N 2.8Å; E74-C77 VanDerWaalsContact O-N 3.14Å; S75-C77 PolarHBondContact O-N 3.45Å; C77-R79 PolarHBondContact O-N 2.61Å; C77-R79 VanDerWaalsContact O-N 3.13Å; C77-S154 WeakPolarHBondContact CB-O 3.4Å
78S91.6Very high93Very high81 Ų8131 Ų3157%0.56616%0.155SC*.THydrogen-bonded Turntrans-70.9-0.6175.4-59.50000114.5E74 S75 R76 E80E74-S78 PolarHBondContact O-N 2.77Å; E74-S78 PolarHBondContact O-OG 3.45Å; S75-S78 CarbonylContact O-C 3.6Å; S75-S78 PolarHBondContact O-N 2.86Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.5Å; S78-E80 PolarHBondContact O-N 2.82Å
79R91.7Very high92.1Very high169 Ų16939 Ų3964%0.63820%0.198SC*.THydrogen-bonded Turntrans58.929.7-176.1-54.8-179.8178.4-175-2.5113.1Y11 S75 R76 C77Y11-R79 HydrophobicContact CD1-CB 4.34Å; Y11-R79 VanDerWaalsContact CD1-O 3.26Å; Y11-R79 WeakPolarHBondContact CD1-O 3.31Å; Y11-R79 HydrophobicContact CE1-CB 3.83Å; Y11-R79 VanDerWaalsContact CE1-O 3.24Å; Y11-R79 WeakPolarHBondContact CE1-O 3.47Å; Y11-R79 HydrophobicContact CE2-CB 4.48Å; S75-R79 PolarHBondContact O-N 2.96Å; R76-R79 PolarHBondContact O-N 2.93Å; R76-R79 VanDerWaalsContact O-N 3.07Å; C77-R79 PolarHBondContact O-N 2.61Å; C77-R79 VanDerWaalsContact O-N 3.13Å
80E92.8Very high91.4Very high80 Ų8040.3 Ų40.337%0.37421%0.205SC..  trans-89134.7174.7-71.8-175.8144.100109.7T32 C33 S75 S78 I82T32-E80 VanDerWaalsContact OG1-CB 3.27Å; T32-E80 WeakPolarHBondContact OG1-CB 3.45Å; C33-E80 PolarHBondContact SG-OE2 3.45Å; S75-E80 WeakPolarHBondContact O-CB 3.21Å; S75-E80 PolarHBondContact O-N 3.19Å; S78-E80 PolarHBondContact O-N 2.82Å; E80-I82 PolarHBondContact O-N 2.65Å
81N94.1Very high90.9Very high22 Ų2238.2 Ų38.212%0.11820%0.196CC..EExtended strand (participates in β ladder)trans-76.8109.9176.2-72.4-19.5000109Y11 Y13 A29 K30 I31 T32 C33Y11-N81 WeakPolarHBondContact CD1-OD1 3.36Å; Y13-N81 HydrophobicContact CD2-CB 4.3Å; Y13-N81 HydrophobicContact CE2-CB 3.88Å; A29-N81 PolarHBondContact O-ND2 3.2Å; K30-N81 WeakPolarHBondContact O-CB 3.37Å; K30-N81 PolarHBondContact O-ND2 2.95Å; I31-N81 WeakPolarHBondContact CA-O 3.32Å; I31-N81 HydrophobicContact CD1-CB 4.01Å; T32-N81 PolarHBondContact N-O 3.34Å; T32-N81 PolarHBondContact OG1-N 3.27Å; T32-N81 PolarHBondContact OG1-O 3.37Å; C33-N81 PolarHBondContact N-O 2.83Å
82I95.2Very high90.5Very high0 Ų038.2 Ų38.20%020%0.197CC..EExtended strand (participates in β ladder)trans-96.9133.3175.9179.8153.8000111.3Y11 L12 Y13 C33 L35 F71 I72 R76 E80Y11-I82 VanDerWaalsContact O-CG2 3.23Å; Y11-I82 WeakPolarHBondContact O-CG2 3.5Å; Y11-I82 PolarHBondContact O-N 2.97Å; L12-I82 HydrophobicContact CD1-CG2 3.8Å; Y13-I82 PolarHBondContact N-O 3.14Å; C33-I82 HydrophobicContact CB-CB 3.98Å; C33-I82 HydrophobicContact CB-CD1 4.09Å; C33-I82 HydrophobicContact CB-CG1 4.04Å; C33-I82 WeakPolarHBondContact O-CA 3.26Å; L35-I82 HydrophobicContact CB-CD1 4.43Å; F71-I82 HydrophobicContact CD1-CD1 3.52Å; F71-I82 HydrophobicContact CE1-CD1 3.51Å; F71-I82 HydrophobicContact CG-CD1 4.4Å; F71-I82 HydrophobicContact CZ-CD1 4.38Å; I72-I82 HydrophobicContact CG1-CD1 4.2Å; R76-I82 HydrophobicContact CG-CG2 4.23Å; E80-I82 PolarHBondContact O-N 2.65Å
83A93.7Very high90.3Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-108.2126.5172.500000111.1Y13 V15 I31 C33 M34 L35 I85Y13-A83 CarbonylContact O-C 3.58Å; Y13-A83 WeakPolarHBondContact O-CA 3.26Å; V15-A83 HydrophobicContact CB-CB 4.32Å; V15-A83 HydrophobicContact CG2-CB 3.6Å; I31-A83 HydrophobicContact CD1-CB 4.09Å; I31-A83 HydrophobicContact CG1-CB 4.2Å; I31-A83 HydrophobicContact CG2-CB 3.61Å; C33-A83 PolarHBondContact O-N 3.38Å; M34-A83 CarbonylContact C-O 3.53Å; M34-A83 VanDerWaalsContact CA-O 3.32Å; M34-A83 WeakPolarHBondContact CA-O 3.36Å; M34-A83 HydrophobicContact CG-CB 4.45Å; L35-A83 PolarHBondContact N-O 3.43Å; A83-I85 HydrophobicContact CB-CD1 3.87Å
84V94.4Very high90.2Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-93.2119.3167.3-179.50000108.4L12 Y13 V15 L35 I72 S93 I97L12-V84 HydrophobicContact CD1-CG2 4.06Å; Y13-V84 PolarHBondContact O-N 3.05Å; V15-V84 PolarHBondContact N-O 3.14Å; L35-V84 HydrophobicContact CB-CG2 4.43Å; L35-V84 HydrophobicContact CD2-CG2 4.38Å; L35-V84 WeakPolarHBondContact O-CA 3.4Å; I72-V84 HydrophobicContact CD1-CG2 3.95Å; I72-V84 HydrophobicContact CG1-CG2 4.33Å; V84-S93 WeakPolarHBondContact CG1-O 3.46Å; V84-I97 HydrophobicContact CB-CD1 3.86Å; V84-I97 HydrophobicContact CB-CG1 4.17Å; V84-I97 HydrophobicContact CG1-CD1 4.15Å; V84-I97 HydrophobicContact CG1-CG1 4.25Å; V84-I97 HydrophobicContact CG2-CD1 3.9Å; V84-I97 HydrophobicContact CG2-CG1 3.76Å
85I91.3Very high90.2Very high5 Ų535.1 Ų35.13%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-91.2122.6-171.5-47-51.7000110.2V15 H17 T21 M34 L35 A83 S93V15-I85 HydrophobicContact CB-CD1 3.8Å; V15-I85 HydrophobicContact CG1-CD1 4.2Å; V15-I85 CarbonylContact O-C 3.6Å; V15-I85 WeakPolarHBondContact O-CA 3.29Å; H17-I85 HydrophobicContact CB-CG2 3.93Å; T21-I85 HydrophobicContact CG2-CD1 4.03Å; T21-I85 HydrophobicContact CG2-CG2 3.92Å; M34-I85 HydrophobicContact CE-CD1 3.52Å; M34-I85 HydrophobicContact CE-CG1 3.63Å; M34-I85 HydrophobicContact CG-CD1 4.44Å; L35-I85 PolarHBondContact O-N 3.32Å; A83-I85 HydrophobicContact CB-CD1 3.87Å; I85-S93 WeakPolarHBondContact O-CB 3.49Å; I85-S93 PolarHBondContact O-OG 3Å
86I89.8Confident90.4Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-109.3132.3-178.9-66.5-172.5000109.4I14 V15 D16 H17 H91 A94 L123I14-I86 HydrophobicContact CB-CD1 4.46Å; I14-I86 HydrophobicContact CD1-CD1 4.43Å; I14-I86 HydrophobicContact CG1-CD1 4.27Å; I14-I86 HydrophobicContact CG2-CD1 3.39Å; I14-I86 HydrophobicContact CG2-CG1 4Å; V15-I86 PolarHBondContact O-N 2.88Å; D16-I86 CarbonylContact C-O 3.45Å; H17-I86 PolarHBondContact N-O 3.15Å; I86-H91 HydrophobicContact CG2-CB 4.13Å; I86-H91 WeakPolarHBondContact CG2-CD2 3.14Å; I86-A94 HydrophobicContact CD1-CB 3.87Å; I86-L123 HydrophobicContact CD1-CD1 3.66Å; I86-L123 HydrophobicContact CD1-CD2 4.41Å
87E84.1Confident90.5Very high30 Ų3035 Ų3514%0.1418%0.182CC..BIsolated β-bridgetrans-84149.9176-66.1-170.4173.500111.5H17 T38 Q39 N89 N90 H91H17-E87 HydrophobicContact CB-CG 4.35Å; T38-E87 WeakPolarHBondContact CB-OE1 3.33Å; T38-E87 WeakPolarHBondContact OG1-CG 3.35Å; T38-E87 PolarHBondContact OG1-OE1 3.1Å; Q39-E87 VanDerWaalsContact CG-OE1 3.26Å; Q39-E87 WeakPolarHBondContact CG-OE1 3.43Å; Q39-E87 PolarHBondContact NE2-OE1 2.79Å; E87-N89 PolarHBondContact O-N 3.28Å; E87-N90 HydrophobicContact CB-CB 4.12Å; E87-N90 WeakPolarHBondContact CB-O 3.33Å; E87-N90 PolarHBondContact N-O 3.44Å; E87-N90 CarbonylContact O-C 3.54Å; E87-N90 PolarHBondContact O-N 3.11Å; E87-N90 VanDerWaalsContact O-N 3.1Å; E87-N90 VanDerWaalsContact O-O 3.06Å; E87-H91 PolarHBondContact O-CD2 3.39Å; E87-H91 VanDerWaalsContact O-CD2 3.24Å
88P77.8Confident90.7Very high90 Ų9034.7 Ų34.758%0.58418%0.179SC*.THydrogen-bonded Turntrans-55.8-28.1-174.4-28.135000116.1
89N77.3Confident90.9Very high167 Ų16730.9 Ų30.989%0.89315%0.152SC*.THydrogen-bonded Turntrans-119.32-179.2-59.2-38.5000112.4E87E87-N89 PolarHBondContact O-N 3.28Å
90N82.5Confident91.2Very high29 Ų2922.8 Ų22.816%0.15512%0.122CC..BIsolated β-bridgetrans-141.4105.2-176.8-176-4.2000109.8Q54 E87 E92Q54-N90 PolarHBondContact NE2-ND2 2.79Å; E87-N90 HydrophobicContact CB-CB 4.12Å; E87-N90 WeakPolarHBondContact CB-O 3.33Å; E87-N90 PolarHBondContact N-O 3.44Å; E87-N90 CarbonylContact O-C 3.54Å; E87-N90 PolarHBondContact O-N 3.11Å; E87-N90 VanDerWaalsContact O-N 3.1Å; E87-N90 VanDerWaalsContact O-O 3.06Å; N90-E92 VanDerWaalsContact C-N 3.34Å; N90-E92 VanDerWaalsContact ND2-CD 3.32Å; N90-E92 PolarHBondContact ND2-OE2 2.97Å; N90-E92 WeakPolarHBondContact OD1-CB 3.3Å; N90-E92 WeakPolarHBondContact OD1-CG 3.16Å; N90-E92 PolarHBondContact OD1-N 3.38Å; N90-E92 PolarHBondContact OD1-OE2 3.18Å
91H86.1Confident91.5Very high37 Ų3719 Ų1917%0.17110%0.104CC..  trans-94.616-178-58.8165.5000113.6I86 E87 S93 A94 L123 D124 I125I86-H91 HydrophobicContact CG2-CB 4.13Å; I86-H91 WeakPolarHBondContact CG2-CD2 3.14Å; E87-H91 PolarHBondContact O-CD2 3.39Å; E87-H91 VanDerWaalsContact O-CD2 3.24Å; H91-S93 VanDerWaalsContact C-N 3.32Å; H91-S93 PolarHBondContact O-N 3.1Å; H91-A94 WeakPolarHBondContact O-CB 3.35Å; H91-A94 PolarHBondContact O-N 3.43Å; H91-L123 HydrophobicContact CB-CD1 4.37Å; H91-D124 PolarHBondContact ND1-O 3.17Å; H91-I125 HydrophobicContact CB-CG1 4.44Å
92E88.5Confident91.6Very high11 Ų1118.1 Ų18.15%0.05110%0.099CC..THydrogen-bonded Turntrans-53.9-41.4-177.5-83172.3164.900114.6Q54 N90 A94 A95 Y129Q54-E92 VanDerWaalsContact CG-CD 3.49Å; Q54-E92 WeakPolarHBondContact CG-OE1 3.19Å; Q54-E92 WeakPolarHBondContact CG-OE2 3.39Å; Q54-E92 PolarHBondContact NE2-OE1 2.91Å; Q54-E92 PolarHBondContact NE2-OE2 3.41Å; Q54-E92 VanDerWaalsContact NE2-OE2 3.1Å; N90-E92 VanDerWaalsContact C-N 3.34Å; N90-E92 VanDerWaalsContact ND2-CD 3.32Å; N90-E92 PolarHBondContact ND2-OE2 2.97Å; N90-E92 WeakPolarHBondContact OD1-CB 3.3Å; N90-E92 WeakPolarHBondContact OD1-CG 3.16Å; N90-E92 PolarHBondContact OD1-N 3.38Å; N90-E92 PolarHBondContact OD1-OE2 3.18Å; E92-A94 PolarHBondContact O-N 3.02Å; E92-A95 WeakPolarHBondContact O-CB 3.4Å; E92-A95 PolarHBondContact O-N 3.49Å; E92-Y129 HydrophobicContact CB-CE2 4.39Å; E92-Y129 HydrophobicContact CG-CE2 3.66Å; E92-Y129 WeakPolarHBondContact CG-OH 3.41Å; E92-Y129 PolarHBondContact OE1-OH 3.43Å
93S92.8Very high91.6Very high1 Ų118.6 Ų18.61%0.00710%0.102CC..THydrogen-bonded Turntrans-57.8-22.9177.9-580000112.5S37 V84 I85 H91 A95 F96S37-S93 PolarHBondContact N-OG 3.46Å; S37-S93 PolarHBondContact OG-N 3.39Å; S37-S93 PolarHBondContact OG-OG 2.82Å; V84-S93 WeakPolarHBondContact CG1-O 3.46Å; I85-S93 WeakPolarHBondContact O-CB 3.49Å; I85-S93 PolarHBondContact O-OG 3Å; H91-S93 VanDerWaalsContact C-N 3.32Å; H91-S93 PolarHBondContact O-N 3.1Å; S93-A95 PolarHBondContact O-N 3.33Å; S93-F96 WeakPolarHBondContact O-CB 3.37Å; S93-F96 VanDerWaalsContact O-CD2 3.25Å; S93-F96 WeakPolarHBondContact O-CD2 3.35Å; S93-F96 PolarHBondContact O-N 3.31Å; S93-F96 VanDerWaalsContact O-N 3.17Å
94A94.1Very high91.7Very high0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-63.3-23.7174.200000112.6I86 H91 E92 F96 I97 I98 I125I86-A94 HydrophobicContact CD1-CB 3.87Å; H91-A94 WeakPolarHBondContact O-CB 3.35Å; H91-A94 PolarHBondContact O-N 3.43Å; E92-A94 PolarHBondContact O-N 3.02Å; A94-F96 PolarHBondContact O-N 2.86Å; A94-I97 WeakPolarHBondContact O-CB 3.38Å; A94-I97 PolarHBondContact O-N 2.76Å; A94-I98 WeakPolarHBondContact O-CG1 3.38Å; A94-I98 PolarHBondContact O-N 2.86Å; A94-I125 HydrophobicContact CB-CD1 3.51Å; A94-I125 HydrophobicContact CB-CG1 3.91Å; A94-I125 HydrophobicContact CB-CG2 4.3Å
95A95.1Very high91.7Very high2 Ų218.7 Ų18.72%0.01710%0.102CC..Hα-helixtrans-58.8-28.6174.300000112.6L53 L65 E92 S93 I98 T99 Y129L53-A95 HydrophobicContact CD1-CB 4.12Å; L65-A95 HydrophobicContact CD2-CB 3.84Å; E92-A95 WeakPolarHBondContact O-CB 3.4Å; E92-A95 PolarHBondContact O-N 3.49Å; S93-A95 PolarHBondContact O-N 3.33Å; A95-I98 PolarHBondContact O-N 3.04Å; A95-T99 WeakPolarHBondContact O-CB 3.07Å; A95-T99 PolarHBondContact O-N 3.31Å; A95-T99 PolarHBondContact O-OG1 3.25Å; A95-Y129 HydrophobicContact CB-CD1 4.36Å; A95-Y129 HydrophobicContact CB-CD2 4.03Å; A95-Y129 HydrophobicContact CB-CG 3.85Å
96F96.9Very high91.8Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-64.2-40.2172.3-62.3-53.3000112.2L35 L51 L53 N64 L65 I72 S93 A94 Y100L35-F96 HydrophobicContact CD1-CD2 4.38Å; L35-F96 HydrophobicContact CD1-CE2 4.27Å; L35-F96 HydrophobicContact CD2-CB 3.83Å; L35-F96 HydrophobicContact CD2-CD1 4.47Å; L35-F96 HydrophobicContact CD2-CD2 3.67Å; L35-F96 HydrophobicContact CD2-CE2 4.36Å; L35-F96 HydrophobicContact CD2-CG 3.75Å; L35-F96 HydrophobicContact CG-CD2 3.82Å; L35-F96 HydrophobicContact CG-CE2 4.13Å; L35-F96 HydrophobicContact CG-CG 4.39Å; L51-F96 HydrophobicContact CB-CE1 4.09Å; L51-F96 HydrophobicContact CB-CZ 3.65Å; L51-F96 HydrophobicContact CD1-CE1 4.28Å; L51-F96 HydrophobicContact CD1-CZ 4.47Å; L51-F96 WeakPolarHBondContact O-CZ 3.46Å; L53-F96 HydrophobicContact CD1-CE1 4.02Å; L53-F96 HydrophobicContact CD1-CE2 4.11Å; L53-F96 HydrophobicContact CD1-CZ 3.73Å; L53-F96 HydrophobicContact CD2-CE1 3.81Å; L53-F96 HydrophobicContact CD2-CZ 3.96Å; L53-F96 HydrophobicContact CG-CE1 4.08Å; L53-F96 HydrophobicContact CG-CE2 4.47Å; L53-F96 HydrophobicContact CG-CZ 3.72Å; N64-F96 WeakPolarHBondContact O-CE1 3.21Å; L65-F96 HydrophobicContact CD2-CD1 4.23Å; L65-F96 HydrophobicContact CD2-CE1 4.37Å; I72-F96 HydrophobicContact CD1-CB 4Å; S93-F96 WeakPolarHBondContact O-CB 3.37Å; S93-F96 VanDerWaalsContact O-CD2 3.25Å; S93-F96 WeakPolarHBondContact O-CD2 3.35Å; S93-F96 PolarHBondContact O-N 3.31Å; S93-F96 VanDerWaalsContact O-N 3.17Å; A94-F96 PolarHBondContact O-N 2.86Å; F96-Y100 WeakPolarHBondContact O-CB 3.46Å; F96-Y100 PolarHBondContact O-N 3.18Å
97I97.3Very high92Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-71.4-41.9177.4-56.8175.1000110V8 L12 I14 I72 V84 A94 T99 Y100 F101 V116V8-I97 HydrophobicContact CG1-CG2 3.97Å; V8-I97 HydrophobicContact CG2-CD1 4.27Å; L12-I97 HydrophobicContact CD2-CG2 4.34Å; I14-I97 HydrophobicContact CD1-CD1 3.6Å; I14-I97 HydrophobicContact CG1-CD1 3.25Å; I72-I97 HydrophobicContact CD1-CG1 4.3Å; V84-I97 HydrophobicContact CB-CD1 3.86Å; V84-I97 HydrophobicContact CB-CG1 4.17Å; V84-I97 HydrophobicContact CG1-CD1 4.15Å; V84-I97 HydrophobicContact CG1-CG1 4.25Å; V84-I97 HydrophobicContact CG2-CD1 3.9Å; V84-I97 HydrophobicContact CG2-CG1 3.76Å; A94-I97 WeakPolarHBondContact O-CB 3.38Å; A94-I97 PolarHBondContact O-N 2.76Å; I97-T99 VanDerWaalsContact C-N 3.31Å; I97-T99 PolarHBondContact O-N 2.84Å; I97-Y100 PolarHBondContact O-N 3.43Å; I97-F101 HydrophobicContact CG2-CD1 4.09Å; I97-F101 HydrophobicContact CG2-CE1 3.93Å; I97-F101 HydrophobicContact CG2-CG 4.49Å; I97-F101 HydrophobicContact CG2-CZ 4.2Å; I97-F101 WeakPolarHBondContact O-CB 3.2Å; I97-F101 PolarHBondContact O-N 3.46Å; I97-V116 HydrophobicContact CB-CG1 4.27Å; I97-V116 HydrophobicContact CB-CG2 4.24Å; I97-V116 HydrophobicContact CG2-CG1 4.11Å; I97-V116 HydrophobicContact CG2-CG2 3.62Å
98I97.2Very high92.5Very high5 Ų519 Ų193%0.02611%0.11CC..Hα-helixtrans-59.2-46.2176-63.3173.3000109.8A94 A95 F101 T102 V109 R113 V116 I125 I133A94-I98 WeakPolarHBondContact O-CG1 3.38Å; A94-I98 PolarHBondContact O-N 2.86Å; A95-I98 PolarHBondContact O-N 3.04Å; I98-F101 PolarHBondContact O-N 3.37Å; I98-T102 VanDerWaalsContact O-CB 3.29Å; I98-T102 WeakPolarHBondContact O-CB 3.4Å; I98-T102 PolarHBondContact O-N 3.38Å; I98-T102 PolarHBondContact O-OG1 2.78Å; I98-V109 HydrophobicContact CG2-CG2 3.7Å; I98-R113 HydrophobicContact CD1-CB 3.94Å; I98-R113 HydrophobicContact CD1-CG 3.99Å; I98-R113 HydrophobicContact CG1-CB 4.5Å; I98-V116 HydrophobicContact CG1-CB 4.01Å; I98-V116 HydrophobicContact CG1-CG1 4.31Å; I98-V116 HydrophobicContact CG1-CG2 3.78Å; I98-I125 HydrophobicContact CD1-CB 4.48Å; I98-I125 HydrophobicContact CD1-CD1 4.05Å; I98-I125 HydrophobicContact CD1-CG2 3.76Å; I98-I133 HydrophobicContact CB-CD1 4.3Å; I98-I133 HydrophobicContact CG2-CD1 3.79Å
99T97.2Very high93.3Very high0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-60.3-47.5175.9-57.60000110.9L65 A69 A95 I97 F101 T102 I103 I133 M136L65-T99 HydrophobicContact CB-CG2 4.2Å; A69-T99 HydrophobicContact CB-CG2 3.97Å; A95-T99 WeakPolarHBondContact O-CB 3.07Å; A95-T99 PolarHBondContact O-N 3.31Å; A95-T99 PolarHBondContact O-OG1 3.25Å; I97-T99 VanDerWaalsContact C-N 3.31Å; I97-T99 PolarHBondContact O-N 2.84Å; T99-F101 PolarHBondContact O-N 3.04Å; T99-T102 WeakPolarHBondContact O-CB 3.45Å; T99-T102 PolarHBondContact O-N 3.41Å; T99-I103 HydrophobicContact CG2-CD1 3.8Å; T99-I103 HydrophobicContact CG2-CG1 4.43Å; T99-I103 WeakPolarHBondContact O-CG1 3.33Å; T99-I103 PolarHBondContact O-N 2.76Å; T99-I133 WeakPolarHBondContact OG1-CD1 3.34Å; T99-M136 HydrophobicContact CG2-CE 3.78Å
100Y97.9Very high94.2Very high0 Ų09.1 Ų9.10%06%0.06CC..Hα-helixtrans-58.7-46.5176.9179.8-111.4000112.4L9 L12 A69 I72 H73 R76 F96 I97 T102 L104 L149L9-Y100 HydrophobicContact CD1-CE1 4.3Å; L12-Y100 HydrophobicContact CD2-CD1 4.27Å; L12-Y100 HydrophobicContact CD2-CE1 4.42Å; A69-Y100 HydrophobicContact CB-CD2 4.45Å; A69-Y100 WeakPolarHBondContact O-CD2 3.4Å; I72-Y100 HydrophobicContact CB-CD2 4.36Å; I72-Y100 HydrophobicContact CB-CG 4.4Å; I72-Y100 HydrophobicContact CG2-CD1 3.79Å; I72-Y100 HydrophobicContact CG2-CD2 4.03Å; I72-Y100 HydrophobicContact CG2-CE1 3.92Å; I72-Y100 HydrophobicContact CG2-CE2 4.14Å; I72-Y100 HydrophobicContact CG2-CG 3.86Å; H73-Y100 HydrophobicContact CB-CD2 4.44Å; H73-Y100 HydrophobicContact CB-CE2 3.73Å; H73-Y100 AromaticContact ND1-CE2 3.74Å; R76-Y100 PolarHBondContact NH1-OH 3Å; F96-Y100 WeakPolarHBondContact O-CB 3.46Å; F96-Y100 PolarHBondContact O-N 3.18Å; I97-Y100 PolarHBondContact O-N 3.43Å; Y100-T102 VanDerWaalsContact C-N 3.31Å; Y100-T102 PolarHBondContact O-N 3.1Å; Y100-L104 HydrophobicContact CE1-CD2 3.96Å; Y100-L104 WeakPolarHBondContact O-CB 3.24Å; Y100-L104 PolarHBondContact O-N 3.47Å; Y100-L149 HydrophobicContact CD2-CD1 4.48Å; Y100-L149 HydrophobicContact CD2-CD2 4.04Å; Y100-L149 HydrophobicContact CE2-CD2 3.86Å
101F97.5Very high94.8Very high0 Ų09 Ų90%06%0.058CC..Hα-helixtrans-63.6-38.7176.4-82.317.5000111.7V8 L9 L12 I97 I98 T99 S105 T112 A115 V116 I168V8-F101 HydrophobicContact CG1-CE1 3.9Å; V8-F101 HydrophobicContact CG1-CE2 4.36Å; V8-F101 HydrophobicContact CG1-CZ 3.42Å; V8-F101 VanDerWaalsContact CG1-CZ 3.42Å; L9-F101 HydrophobicContact CD1-CD1 4.41Å; L9-F101 HydrophobicContact CD1-CE1 3.51Å; L9-F101 HydrophobicContact CD1-CZ 4.08Å; L9-F101 HydrophobicContact CD2-CZ 4.3Å; L9-F101 HydrophobicContact CG-CE1 3.88Å; L9-F101 HydrophobicContact CG-CZ 3.97Å; L12-F101 HydrophobicContact CD2-CE1 4.47Å; I97-F101 HydrophobicContact CG2-CD1 4.09Å; I97-F101 HydrophobicContact CG2-CE1 3.93Å; I97-F101 HydrophobicContact CG2-CG 4.49Å; I97-F101 HydrophobicContact CG2-CZ 4.2Å; I97-F101 WeakPolarHBondContact O-CB 3.2Å; I97-F101 PolarHBondContact O-N 3.46Å; I98-F101 PolarHBondContact O-N 3.37Å; T99-F101 PolarHBondContact O-N 3.04Å; F101-S105 VanDerWaalsContact O-CB 3.27Å; F101-S105 WeakPolarHBondContact O-CB 3.46Å; F101-S105 PolarHBondContact O-N 2.95Å; F101-S105 PolarHBondContact O-OG 3.38Å; F101-T112 HydrophobicContact CB-CG2 4.06Å; F101-A115 HydrophobicContact CD2-CB 4.16Å; F101-A115 HydrophobicContact CE2-CB 4.24Å; F101-V116 HydrophobicContact CD2-CG2 3.6Å; F101-V116 HydrophobicContact CE2-CG2 3.82Å; F101-V116 HydrophobicContact CG-CG2 4.24Å; F101-I168 HydrophobicContact CB-CD1 4.41Å; F101-I168 HydrophobicContact CD1-CD1 3.83Å; F101-I168 HydrophobicContact CD1-CG1 4.13Å; F101-I168 HydrophobicContact CD2-CD1 4.35Å; F101-I168 HydrophobicContact CD2-CG1 3.94Å; F101-I168 HydrophobicContact CD2-CG2 4.12Å; F101-I168 HydrophobicContact CE1-CD1 4.11Å; F101-I168 HydrophobicContact CE1-CG1 4.08Å; F101-I168 HydrophobicContact CE2-CG1 3.87Å; F101-I168 HydrophobicContact CG-CD1 3.95Å; F101-I168 HydrophobicContact CG-CG1 4.05Å; F101-I168 HydrophobicContact CG-CG2 4.48Å; F101-I168 HydrophobicContact CZ-CD1 4.45Å; F101-I168 HydrophobicContact CZ-CG1 3.92Å
102T96.6Very high95.2Very high3 Ų37.2 Ų7.22%0.0185%0.05CC..Hα-helixtrans-64.9-48.5179.7-580000111.1I98 T99 Y100 G106 T112 I133 Q137I98-T102 VanDerWaalsContact O-CB 3.29Å; I98-T102 WeakPolarHBondContact O-CB 3.4Å; I98-T102 PolarHBondContact O-N 3.38Å; I98-T102 PolarHBondContact O-OG1 2.78Å; T99-T102 WeakPolarHBondContact O-CB 3.45Å; T99-T102 PolarHBondContact O-N 3.41Å; Y100-T102 VanDerWaalsContact C-N 3.31Å; Y100-T102 PolarHBondContact O-N 3.1Å; T102-G106 WeakPolarHBondContact O-CA 3.12Å; T102-G106 PolarHBondContact O-N 3.27Å; T102-T112 PolarHBondContact OG1-OG1 2.72Å; T102-I133 HydrophobicContact CG2-CG2 3.71Å; T102-Q137 HydrophobicContact CG2-CG 3.93Å
103I96Very high95.5Very high11 Ų118.6 Ų8.66%0.0566%0.055CC..Hα-helixtrans-66.3-45.1176.4-63.1168.8000110.5A69 T99 S105 L145 L149A69-I103 HydrophobicContact CB-CD1 4.18Å; T99-I103 HydrophobicContact CG2-CD1 3.8Å; T99-I103 HydrophobicContact CG2-CG1 4.43Å; T99-I103 WeakPolarHBondContact O-CG1 3.33Å; T99-I103 PolarHBondContact O-N 2.76Å; I103-S105 PolarHBondContact O-N 2.97Å; I103-L145 HydrophobicContact CG1-CB 4.44Å; I103-L145 HydrophobicContact CG2-CB 4Å; I103-L145 VanDerWaalsContact CG2-O 3.24Å; I103-L145 WeakPolarHBondContact CG2-O 3.25Å; I103-L149 HydrophobicContact CB-CD2 4.34Å; I103-L149 HydrophobicContact CG2-CB 3.85Å; I103-L149 HydrophobicContact CG2-CD2 3.72Å; I103-L149 HydrophobicContact CG2-CG 4.29Å
104L95.4Very high95.6Very high0 Ų011.5 Ų11.50%07%0.068CC..Hα-helixtrans-67.1-39.6-176.8-172.266.3000111.9Y100 R146 F150 L161 D164 L165 I168Y100-L104 HydrophobicContact CE1-CD2 3.96Å; Y100-L104 WeakPolarHBondContact O-CB 3.24Å; Y100-L104 PolarHBondContact O-N 3.47Å; L104-R146 PolarHBondContact O-NE 3.01Å; L104-R146 PolarHBondContact O-NH2 3.14Å; L104-F150 HydrophobicContact CD1-CE2 3.92Å; L104-F150 HydrophobicContact CD1-CZ 4.15Å; L104-L161 HydrophobicContact CD1-CD1 3.61Å; L104-L161 HydrophobicContact CG-CD1 4.22Å; L104-D164 HydrophobicContact CD2-CB 4.24Å; L104-L165 HydrophobicContact CG-CD2 4.39Å; L104-L165 WeakPolarHBondContact O-CD2 2.91Å; L104-I168 HydrophobicContact CD2-CD1 4.01Å
105S94.8Very high95.7Very high1 Ų111.5 Ų11.51%0.0077%0.068CC..Hα-helixtrans-98.5-19.5-175.167.40000115F101 I103 L107 L165F101-S105 VanDerWaalsContact O-CB 3.27Å; F101-S105 WeakPolarHBondContact O-CB 3.46Å; F101-S105 PolarHBondContact O-N 2.95Å; F101-S105 PolarHBondContact O-OG 3.38Å; I103-S105 PolarHBondContact O-N 2.97Å; S105-L107 PolarHBondContact O-N 3Å; S105-L107 WeakPolarHBondContact OG-CB 3.15Å; S105-L107 WeakPolarHBondContact OG-CG 3.47Å; S105-L107 PolarHBondContact OG-N 2.84Å; S105-L165 VanDerWaalsContact CA-CD2 3.5Å
106G93.6Very high95.6Very high16 Ų1611.4 Ų11.417%0.1657%0.067CC..  trans67.96.1-170.300000114.3T102T102-G106 WeakPolarHBondContact O-CA 3.12Å; T102-G106 PolarHBondContact O-N 3.27Å
107L94.2Very high95.4Very high1 Ų114.1 Ų14.11%0.0058%0.08CC..  trans-70152.6176.6-69.5175.2000111.4S105 T112 Q137 I168 Y169 L174S105-L107 PolarHBondContact O-N 3Å; S105-L107 WeakPolarHBondContact OG-CB 3.15Å; S105-L107 WeakPolarHBondContact OG-CG 3.47Å; S105-L107 PolarHBondContact OG-N 2.84Å; L107-T112 HydrophobicContact CB-CG2 3.75Å; L107-Q137 PolarHBondContact O-NE2 2.65Å; L107-I168 HydrophobicContact CD1-CG2 4.07Å; L107-Y169 HydrophobicContact CD1-CD2 3.88Å; L107-Y169 HydrophobicContact CD1-CE2 3.74Å; L107-Y169 HydrophobicContact CD1-CG 4.49Å; L107-Y169 HydrophobicContact CD2-CE1 4.19Å; L107-Y169 HydrophobicContact CD2-CE2 4.03Å; L107-Y169 HydrophobicContact CG-CE2 3.87Å; L107-L174 HydrophobicContact CD1-CD1 3.92Å; L107-L174 HydrophobicContact CD2-CD1 3.84Å
108P94.1Very high95.2Very high25 Ų2519 Ų1916%0.16210%0.102CC..  trans-54.5143.1167.6-26.232.5000113A110 L111 T112P108-A110 PolarHBondContact O-N 3.26Å; P108-A110 VanDerWaalsContact O-N 3.12Å; P108-L111 HydrophobicContact CG-CD1 4.35Å; P108-L111 PolarHBondContact O-N 3Å; P108-T112 PolarHBondContact O-N 3.22Å
109V95.1Very high94.8Very high1 Ų119.8 Ų19.81%0.00611%0.107CC..Hα-helixtrans-54.7-35.1-177.268.60000113.8I98 L111 T112 R113 D130 I133 E134I98-V109 HydrophobicContact CG2-CG2 3.7Å; V109-L111 VanDerWaalsContact C-N 3.29Å; V109-L111 PolarHBondContact O-N 3.17Å; V109-T112 WeakPolarHBondContact CA-OG1 3.49Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 PolarHBondContact O-OG1 2.81Å; V109-R113 WeakPolarHBondContact O-CB 3.46Å; V109-R113 PolarHBondContact O-N 2.69Å; V109-D130 HydrophobicContact CG1-CB 3.84Å; V109-D130 HydrophobicContact CG2-CB 4.42Å; V109-D130 WeakPolarHBondContact CG2-OD1 3.32Å; V109-I133 HydrophobicContact CB-CB 4.35Å; V109-I133 HydrophobicContact CB-CG2 3.96Å; V109-I133 HydrophobicContact CG2-CB 3.84Å; V109-I133 HydrophobicContact CG2-CD1 3.88Å; V109-I133 HydrophobicContact CG2-CG1 4.47Å; V109-I133 HydrophobicContact CG2-CG2 3.69Å; V109-E134 HydrophobicContact CG1-CG 3.6Å
110A94.5Very high94.1Very high49 Ų4921.8 Ų21.841%0.40512%0.115SC..Hα-helixtrans-62.5-36.9178.800000112.5P108 K114P108-A110 PolarHBondContact O-N 3.26Å; P108-A110 VanDerWaalsContact O-N 3.12Å; A110-K114 PolarHBondContact O-N 3.16Å
111L95.1Very high93.2Very high25 Ų2529.3 Ų29.313%0.13115%0.15CC..Hα-helixtrans-76.2-36.7178-66.6175.5000111.3P108 V109 K114 A115 A172 L174P108-L111 HydrophobicContact CG-CD1 4.35Å; P108-L111 PolarHBondContact O-N 3Å; V109-L111 VanDerWaalsContact C-N 3.29Å; V109-L111 PolarHBondContact O-N 3.17Å; L111-K114 WeakPolarHBondContact O-CB 3.38Å; L111-K114 PolarHBondContact O-N 2.8Å; L111-A115 PolarHBondContact O-N 2.99Å; L111-A172 HydrophobicContact CB-CB 4.49Å; L111-L174 HydrophobicContact CD1-CD1 4.12Å; L111-L174 HydrophobicContact CD1-CD2 4.46Å
112T95.8Very high92.4Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-71.3-38.8176.760.60000111.9F101 T102 L107 P108 V109 K114 A115 V116F101-T112 HydrophobicContact CB-CG2 4.06Å; T102-T112 PolarHBondContact OG1-OG1 2.72Å; L107-T112 HydrophobicContact CB-CG2 3.75Å; P108-T112 PolarHBondContact O-N 3.22Å; V109-T112 WeakPolarHBondContact CA-OG1 3.49Å; V109-T112 PolarHBondContact O-N 3.43Å; V109-T112 PolarHBondContact O-OG1 2.81Å; T112-K114 VanDerWaalsContact C-N 3.34Å; T112-K114 PolarHBondContact O-N 2.98Å; T112-A115 WeakPolarHBondContact O-CB 3.33Å; T112-A115 PolarHBondContact O-N 3.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.33Å; T112-V116 PolarHBondContact O-N 2.91Å
113R95.4Very high91.8Very high40 Ų4037.9 Ų37.915%0.15119%0.187CC..Hα-helixtrans-55-50.9168.6175.8-176.342.4-103.7-7.3110.5I98 V109 A115 V116 M117 I125 N127 D130I98-R113 HydrophobicContact CD1-CB 3.94Å; I98-R113 HydrophobicContact CD1-CG 3.99Å; I98-R113 HydrophobicContact CG1-CB 4.5Å; V109-R113 WeakPolarHBondContact O-CB 3.46Å; V109-R113 PolarHBondContact O-N 2.69Å; R113-A115 VanDerWaalsContact C-N 3.27Å; R113-A115 PolarHBondContact O-N 2.96Å; R113-V116 PolarHBondContact O-N 3.44Å; R113-V116 VanDerWaalsContact O-N 3.09Å; R113-M117 HydrophobicContact CG-CG 4.1Å; R113-M117 HydrophobicContact CG-SD 3.73Å; R113-M117 WeakPolarHBondContact O-CG 3.09Å; R113-M117 PolarHBondContact O-N 2.88Å; R113-I125 VanDerWaalsContact CD-O 3.31Å; R113-I125 WeakPolarHBondContact CD-O 3.47Å; R113-I125 HydrophobicContact CG-CB 4.42Å; R113-N127 VanDerWaalsContact NH1-CA 3.32Å; R113-N127 VanDerWaalsContact NH1-CB 3.29Å; R113-D130 IonicContact CZ-OD1 3.88Å; R113-D130 IonicContact CZ-OD2 3.16Å; R113-D130 IonicContact NH1-OD1 2.76Å; R113-D130 PolarHBondContact NH1-OD1 3.09Å; R113-D130 IonicContact NH1-OD2 2.57Å; R113-D130 PolarHBondContact NH1-OD2 3.24Å; R113-D130 IonicContact NH2-OD2 2.69Å; R113-D130 PolarHBondContact NH2-OD2 3.49Å
114K94.4Very high91.2Very high62 Ų6242.9 Ų42.927%0.2721%0.214SC..Hα-helixtrans-54.8-45178.3-177-174.6177.1-166.40111.2A110 L111 T112 V116 M117 K118 A172 E173A110-K114 PolarHBondContact O-N 3.16Å; L111-K114 WeakPolarHBondContact O-CB 3.38Å; L111-K114 PolarHBondContact O-N 2.8Å; T112-K114 VanDerWaalsContact C-N 3.34Å; T112-K114 PolarHBondContact O-N 2.98Å; K114-V116 PolarHBondContact O-N 3.21Å; K114-M117 PolarHBondContact O-N 3.48Å; K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 2.87Å; K114-A172 PolarHBondContact NZ-O 3.03Å; K114-A172 VanDerWaalsContact NZ-O 3.14Å; K114-E173 VanDerWaalsContact CE-OE2 3.26Å; K114-E173 WeakPolarHBondContact CE-OE2 3.37Å; K114-E173 IonicContact NZ-OE2 2.64Å; K114-E173 PolarHBondContact NZ-OE2 3.04Å
115A95Very high90.9Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-61-42.8176.500000112.8F101 L111 T112 R113 K118 C119 L171 A172F101-A115 HydrophobicContact CD2-CB 4.16Å; F101-A115 HydrophobicContact CE2-CB 4.24Å; L111-A115 PolarHBondContact O-N 2.99Å; T112-A115 WeakPolarHBondContact O-CB 3.33Å; T112-A115 PolarHBondContact O-N 3.24Å; R113-A115 VanDerWaalsContact C-N 3.27Å; R113-A115 PolarHBondContact O-N 2.96Å; A115-K118 PolarHBondContact O-N 2.87Å; A115-C119 PolarHBondContact O-N 3.47Å; A115-C119 PolarHBondContact O-SG 3.13Å; A115-L171 HydrophobicContact CB-CB 3.7Å; A115-A172 HydrophobicContact CB-CB 4.18Å
116V94.8Very high90.5Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-67.4-43.8178.2179.10000111.3I14 I97 I98 F101 T112 R113 K114 K118 C119 L123 I125I14-V116 HydrophobicContact CD1-CG1 4.22Å; I97-V116 HydrophobicContact CB-CG1 4.27Å; I97-V116 HydrophobicContact CB-CG2 4.24Å; I97-V116 HydrophobicContact CG2-CG1 4.11Å; I97-V116 HydrophobicContact CG2-CG2 3.62Å; I98-V116 HydrophobicContact CG1-CB 4.01Å; I98-V116 HydrophobicContact CG1-CG1 4.31Å; I98-V116 HydrophobicContact CG1-CG2 3.78Å; F101-V116 HydrophobicContact CD2-CG2 3.6Å; F101-V116 HydrophobicContact CE2-CG2 3.82Å; F101-V116 HydrophobicContact CG-CG2 4.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.33Å; T112-V116 PolarHBondContact O-N 2.91Å; R113-V116 PolarHBondContact O-N 3.44Å; R113-V116 VanDerWaalsContact O-N 3.09Å; K114-V116 PolarHBondContact O-N 3.21Å; V116-K118 PolarHBondContact O-N 3.25Å; V116-C119 VanDerWaalsContact O-CB 3.26Å; V116-C119 WeakPolarHBondContact O-CB 3.41Å; V116-C119 PolarHBondContact O-N 3.45Å; V116-L123 HydrophobicContact CG1-CD2 4.3Å; V116-I125 HydrophobicContact CB-CD1 4.12Å; V116-I125 HydrophobicContact CG1-CD1 3.58Å
117M92.4Very high90.4Very high58 Ų5851.5 Ų51.529%0.28626%0.259SS..Hα-helixtrans-57.7-30.4176.2-69.7176.369.200112.2R113 K114 C119 I125R113-M117 HydrophobicContact CG-CG 4.1Å; R113-M117 HydrophobicContact CG-SD 3.73Å; R113-M117 WeakPolarHBondContact O-CG 3.09Å; R113-M117 PolarHBondContact O-N 2.88Å; K114-M117 PolarHBondContact O-N 3.48Å; M117-C119 VanDerWaalsContact C-N 3.34Å; M117-I125 HydrophobicContact CG-CB 4.2Å; M117-I125 HydrophobicContact CG-CD1 3.89Å; M117-I125 HydrophobicContact CG-CG1 4.01Å
118K91.8Very high90.2Very high102 Ų10256.4 Ų56.444%0.44328%0.282SS..THydrogen-bonded Turntrans-76.3-14.7174.7-74.5-145.1-178.1-169.40115.4K114 A115 V116 R120 L171 E173K114-K118 WeakPolarHBondContact O-CG 3.44Å; K114-K118 PolarHBondContact O-N 2.87Å; A115-K118 PolarHBondContact O-N 2.87Å; V116-K118 PolarHBondContact O-N 3.25Å; K118-R120 PolarHBondContact O-N 3.05Å; K118-L171 HydrophobicContact CB-CD2 3.98Å; K118-L171 WeakPolarHBondContact CD-O 3.27Å; K118-E173 WeakPolarHBondContact CE-OE1 3.28Å; K118-E173 VanDerWaalsContact NZ-CD 3.3Å; K118-E173 IonicContact NZ-OE1 3.71Å; K118-E173 PolarHBondContact NZ-OE1 3.3Å
119C89.1Confident90.1Very high21 Ų2155.6 Ų55.614%0.14228%0.276CS..THydrogen-bonded Turntrans-72.1-16.5-178.3-65.70000113.1V8 I14 A115 V116 M117 L171V8-C119 HydrophobicContact CB-CB 4.45Å; V8-C119 HydrophobicContact CG1-CB 4.44Å; V8-C119 HydrophobicContact CG2-CB 3.99Å; I14-C119 HydrophobicContact CD1-CB 4.41Å; A115-C119 PolarHBondContact O-N 3.47Å; A115-C119 PolarHBondContact O-SG 3.13Å; V116-C119 VanDerWaalsContact O-CB 3.26Å; V116-C119 WeakPolarHBondContact O-CB 3.41Å; V116-C119 PolarHBondContact O-N 3.45Å; M117-C119 VanDerWaalsContact C-N 3.34Å; C119-L171 VanDerWaalsContact SG-CD1 3.58Å
120R83.4Confident90.1Very high43 Ų4356.2 Ų56.216%0.16228%0.279CS..SBendtrans-148135.1-177.7177-179.2168.3-119.5-12.1110.1S4 D16 K118 L123S4-R120 PolarHBondContact OG-NE 3.45Å; S4-R120 PolarHBondContact OG-NH2 2.95Å; D16-R120 IonicContact OD1-CZ 2.69Å; D16-R120 IonicContact OD1-NE 3.44Å; D16-R120 PolarHBondContact OD1-NE 3.41Å; D16-R120 IonicContact OD1-NH1 3.22Å; D16-R120 PolarHBondContact OD1-NH1 3.36Å; D16-R120 IonicContact OD1-NH2 3.34Å; D16-R120 PolarHBondContact OD1-NH2 3.36Å; D16-R120 IonicContact OD2-CZ 2.65Å; D16-R120 VanDerWaalsContact OD2-CZ 3.22Å; D16-R120 IonicContact OD2-NE 3.95Å; D16-R120 PolarHBondContact OD2-NE 2.89Å; D16-R120 IonicContact OD2-NH2 3.59Å; D16-R120 PolarHBondContact OD2-NH2 3.42Å; K118-R120 PolarHBondContact O-N 3.05Å; R120-L123 HydrophobicContact CB-CB 4.03Å; R120-L123 HydrophobicContact CB-CD2 4.14Å; R120-L123 HydrophobicContact CG-CB 4.34Å; R120-L123 WeakPolarHBondContact O-CB 3.37Å; R120-L123 PolarHBondContact O-N 2.73Å
121E78.7Confident90Very high158 Ų15857.9 Ų57.974%0.73829%0.286SS*.THydrogen-bonded Turntrans-61.6137.5176-155-165.314200110.6L123E121-L123 PolarHBondContact O-N 3.34Å
122K79.4Confident89.9Confident176 Ų17657 Ų5777%0.76528%0.281SS*.THydrogen-bonded Turntrans62.918.2178.7-50176.6-176173.30114.9D124K122-D124 PolarHBondContact O-N 3.19Å
123L84.1Confident89.9Confident6 Ų657.1 Ų57.13%0.03128%0.282CS..  trans-79.1106171.5-177.461.5000109.7I14 I86 H91 V116 R120 E121 I125I14-L123 HydrophobicContact CD1-CD2 3.79Å; I86-L123 HydrophobicContact CD1-CD1 3.66Å; I86-L123 HydrophobicContact CD1-CD2 4.41Å; H91-L123 HydrophobicContact CB-CD1 4.37Å; V116-L123 HydrophobicContact CG1-CD2 4.3Å; R120-L123 HydrophobicContact CB-CB 4.03Å; R120-L123 HydrophobicContact CB-CD2 4.14Å; R120-L123 HydrophobicContact CG-CB 4.34Å; R120-L123 WeakPolarHBondContact O-CB 3.37Å; R120-L123 PolarHBondContact O-N 2.73Å; E121-L123 PolarHBondContact O-N 3.34Å; L123-I125 HydrophobicContact CD1-CD1 4.48Å; L123-I125 HydrophobicContact CD1-CG1 4.07Å; L123-I125 HydrophobicContact CD2-CD1 3.92Å; L123-I125 HydrophobicContact CD2-CG1 4.34Å; L123-I125 HydrophobicContact CG-CD1 3.98Å; L123-I125 HydrophobicContact CG-CG1 3.85Å
124D85.3Confident89.8Confident116 Ų11658.7 Ų58.762%0.6229%0.291SS*.  trans-108.3104.3178.3-168.814.5000111H91 K122H91-D124 PolarHBondContact ND1-O 3.17Å; K122-D124 PolarHBondContact O-N 3.19Å
125I87.3Confident89.6Confident9 Ų957.3 Ų57.35%0.04629%0.289CS..  trans-105125.3-173.9-51.7165.8000108.6H91 A94 I98 R113 V116 M117 L123H91-I125 HydrophobicContact CB-CG1 4.44Å; A94-I125 HydrophobicContact CB-CD1 3.51Å; A94-I125 HydrophobicContact CB-CG1 3.91Å; A94-I125 HydrophobicContact CB-CG2 4.3Å; I98-I125 HydrophobicContact CD1-CB 4.48Å; I98-I125 HydrophobicContact CD1-CD1 4.05Å; I98-I125 HydrophobicContact CD1-CG2 3.76Å; R113-I125 VanDerWaalsContact CD-O 3.31Å; R113-I125 WeakPolarHBondContact CD-O 3.47Å; R113-I125 HydrophobicContact CG-CB 4.42Å; V116-I125 HydrophobicContact CB-CD1 4.12Å; V116-I125 HydrophobicContact CG1-CD1 3.58Å; M117-I125 HydrophobicContact CG-CB 4.2Å; M117-I125 HydrophobicContact CG-CD1 3.89Å; M117-I125 HydrophobicContact CG-CG1 4.01Å; L123-I125 HydrophobicContact CD1-CD1 4.48Å; L123-I125 HydrophobicContact CD1-CG1 4.07Å; L123-I125 HydrophobicContact CD2-CD1 3.92Å; L123-I125 HydrophobicContact CD2-CG1 4.34Å; L123-I125 HydrophobicContact CG-CD1 3.98Å; L123-I125 HydrophobicContact CG-CG1 3.85Å
126T86.9Confident89.4Confident81 Ų8157.5 Ų57.550%0.49729%0.29SS..  trans-64.7159.617767.80000111.3E128T126-E128 VanDerWaalsContact C-N 3.26Å; T126-E128 PolarHBondContact O-N 3.43Å
127N91.5Very high89.1Confident108 Ų10858.9 Ų58.958%0.57830%0.296SS*.SBendtrans-88.914174.665.9-17.3000113.5R113 Y129 D130R113-N127 VanDerWaalsContact NH1-CA 3.32Å; R113-N127 VanDerWaalsContact NH1-CB 3.29Å; N127-Y129 PolarHBondContact O-N 2.87Å; N127-D130 WeakPolarHBondContact O-CB 3.49Å; N127-D130 PolarHBondContact O-N 3.49Å; N127-D130 VanDerWaalsContact O-N 3.1Å
128E90.5Very high88.9Confident104 Ų10463.8 Ų63.849%0.48632%0.316SS..THydrogen-bonded Turntrans-58.3-35.7-174.7-177.4177.8174.200113.2T126 P131T126-E128 VanDerWaalsContact C-N 3.26Å; T126-E128 PolarHBondContact O-N 3.43Å; E128-P131 WeakPolarHBondContact O-CD 3.22Å
129Y92.2Very high88.6Confident8 Ų863.4 Ų63.43%0.03133%0.326CS..THydrogen-bonded Turntrans-91-4.7-178.4-62.2-88.1000113.4L53 L65 E92 A95 N127 L132 I133L53-Y129 HydrophobicContact CB-CE1 3.81Å; L53-Y129 HydrophobicContact CD1-CE1 4.16Å; L53-Y129 HydrophobicContact CD2-CE1 4.49Å; L53-Y129 HydrophobicContact CG-CE1 4.38Å; L65-Y129 HydrophobicContact CD1-CD1 4.47Å; E92-Y129 HydrophobicContact CB-CE2 4.39Å; E92-Y129 HydrophobicContact CG-CE2 3.66Å; E92-Y129 WeakPolarHBondContact CG-OH 3.41Å; E92-Y129 PolarHBondContact OE1-OH 3.43Å; A95-Y129 HydrophobicContact CB-CD1 4.36Å; A95-Y129 HydrophobicContact CB-CD2 4.03Å; A95-Y129 HydrophobicContact CB-CG 3.85Å; N127-Y129 PolarHBondContact O-N 2.87Å; Y129-L132 HydrophobicContact CD1-CD1 4.1Å; Y129-L132 PolarHBondContact O-N 3.32Å; Y129-I133 WeakPolarHBondContact O-CG1 3.23Å; Y129-I133 PolarHBondContact O-N 3.46Å
130D94.1Very high88.6Confident15 Ų1564 Ų648%0.0833%0.329CS..Hα-helixtrans-58.4-47.9179.6-81.517.6000113.1V109 R113 N127 L132 I133 E134V109-D130 HydrophobicContact CG1-CB 3.84Å; V109-D130 HydrophobicContact CG2-CB 4.42Å; V109-D130 WeakPolarHBondContact CG2-OD1 3.32Å; R113-D130 IonicContact CZ-OD1 3.88Å; R113-D130 IonicContact CZ-OD2 3.16Å; R113-D130 IonicContact NH1-OD1 2.76Å; R113-D130 PolarHBondContact NH1-OD1 3.09Å; R113-D130 IonicContact NH1-OD2 2.57Å; R113-D130 PolarHBondContact NH1-OD2 3.24Å; R113-D130 IonicContact NH2-OD2 2.69Å; R113-D130 PolarHBondContact NH2-OD2 3.49Å; N127-D130 WeakPolarHBondContact O-CB 3.49Å; N127-D130 PolarHBondContact O-N 3.49Å; N127-D130 VanDerWaalsContact O-N 3.1Å; D130-L132 PolarHBondContact O-N 2.91Å; D130-I133 PolarHBondContact O-N 3.17Å; D130-E134 WeakPolarHBondContact O-CB 3.33Å; D130-E134 WeakPolarHBondContact O-CG 3.5Å; D130-E134 PolarHBondContact O-N 3.27Å
131P93.5Very high88.8Confident83 Ų8364.7 Ų64.754%0.53934%0.338SS..Hα-helixtrans-59.4-35.3-178.8-24.836000112.5E128 S135E128-P131 WeakPolarHBondContact O-CD 3.22Å; P131-S135 WeakPolarHBondContact O-CB 3.32Å; P131-S135 PolarHBondContact O-N 3.41Å
132L93.1Very high89.4Confident8 Ų857.8 Ų57.84%0.04231%0.307CS..Hα-helixtrans-70-38.5176.9-60-179.9000111.9E58 R61 I62 L65 Y129 D130 S135 M136E58-L132 HydrophobicContact CG-CD2 3.53Å; R61-L132 HydrophobicContact CB-CD1 3.97Å; I62-L132 HydrophobicContact CD1-CD2 4.37Å; I62-L132 HydrophobicContact CG1-CB 4.24Å; I62-L132 HydrophobicContact CG1-CD2 4.25Å; L65-L132 HydrophobicContact CD1-CB 4.17Å; L65-L132 HydrophobicContact CD1-CD1 4.49Å; Y129-L132 HydrophobicContact CD1-CD1 4.1Å; Y129-L132 PolarHBondContact O-N 3.32Å; D130-L132 PolarHBondContact O-N 2.91Å; L132-S135 PolarHBondContact O-OG 2.91Å; L132-M136 PolarHBondContact O-N 3.21Å
133I94.1Very high90Very high2 Ų255.1 Ų55.11%0.0130%0.295CS..Hα-helixtrans-73.7-38.2177.8-62.8169.2000111L65 I98 T99 T102 V109 Y129 D130 M136 Q137L65-I133 HydrophobicContact CD1-CG1 4.2Å; I98-I133 HydrophobicContact CB-CD1 4.3Å; I98-I133 HydrophobicContact CG2-CD1 3.79Å; T99-I133 WeakPolarHBondContact OG1-CD1 3.34Å; T102-I133 HydrophobicContact CG2-CG2 3.71Å; V109-I133 HydrophobicContact CB-CB 4.35Å; V109-I133 HydrophobicContact CB-CG2 3.96Å; V109-I133 HydrophobicContact CG2-CB 3.84Å; V109-I133 HydrophobicContact CG2-CD1 3.88Å; V109-I133 HydrophobicContact CG2-CG1 4.47Å; V109-I133 HydrophobicContact CG2-CG2 3.69Å; Y129-I133 WeakPolarHBondContact O-CG1 3.23Å; Y129-I133 PolarHBondContact O-N 3.46Å; D130-I133 PolarHBondContact O-N 3.17Å; I133-M136 HydrophobicContact CB-CE 4.07Å; I133-M136 HydrophobicContact CG1-CE 3.8Å; I133-M136 HydrophobicContact CG2-CE 4.27Å; I133-M136 WeakPolarHBondContact O-CB 3.23Å; I133-M136 PolarHBondContact O-N 2.93Å; I133-Q137 PolarHBondContact O-N 3.44Å
134E93.6Very high90.4Very high73 Ų7359.8 Ų59.834%0.34132%0.317SS..Hα-helixtrans-65.1-38173.4-72.5-175.9-177.400112.3V109 D130 M136 Q137 K138V109-E134 HydrophobicContact CG1-CG 3.6Å; D130-E134 WeakPolarHBondContact O-CB 3.33Å; D130-E134 WeakPolarHBondContact O-CG 3.5Å; D130-E134 PolarHBondContact O-N 3.27Å; E134-M136 VanDerWaalsContact C-N 3.26Å; E134-M136 PolarHBondContact O-N 3.33Å; E134-Q137 PolarHBondContact O-N 2.93Å; E134-Q137 VanDerWaalsContact O-N 3.13Å; E134-K138 VanDerWaalsContact O-CG 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.24Å; E134-K138 PolarHBondContact O-N 3.45Å; E134-K138 IonicContact OE2-NZ 3.47Å; E134-K138 PolarHBondContact OE2-NZ 3.3Å
135S91.7Very high90.8Very high32 Ų3254.5 Ų54.522%0.22429%0.289CS..Hα-helixtrans-63.6-34.3177.372.40000111.5P131 L132 K138 S139P131-S135 WeakPolarHBondContact O-CB 3.32Å; P131-S135 PolarHBondContact O-N 3.41Å; L132-S135 PolarHBondContact O-OG 2.91Å; S135-K138 PolarHBondContact O-N 2.94Å; S135-S139 WeakPolarHBondContact O-CB 3.48Å; S135-S139 PolarHBondContact O-N 3.3Å; S135-S139 PolarHBondContact O-OG 2.86Å
136M90.5Very high91.1Very high5 Ų554.9 Ų54.93%0.02529%0.29CS..Hα-helixtrans-61.5-45.9169.5-66.6-172.4-82.200112.1I62 L65 K66 T99 L132 I133 E134 K138 S139 T140I62-M136 HydrophobicContact CG2-CG 3.7Å; I62-M136 HydrophobicContact CG2-SD 3.84Å; L65-M136 HydrophobicContact CB-CE 4.24Å; L65-M136 HydrophobicContact CD1-CE 4.22Å; K66-M136 HydrophobicContact CD-SD 4.39Å; K66-M136 HydrophobicContact CG-SD 3.69Å; T99-M136 HydrophobicContact CG2-CE 3.78Å; L132-M136 PolarHBondContact O-N 3.21Å; I133-M136 HydrophobicContact CB-CE 4.07Å; I133-M136 HydrophobicContact CG1-CE 3.8Å; I133-M136 HydrophobicContact CG2-CE 4.27Å; I133-M136 WeakPolarHBondContact O-CB 3.23Å; I133-M136 PolarHBondContact O-N 2.93Å; E134-M136 VanDerWaalsContact C-N 3.26Å; E134-M136 PolarHBondContact O-N 3.33Å; M136-K138 VanDerWaalsContact C-N 3.26Å; M136-K138 PolarHBondContact O-N 2.57Å; M136-S139 PolarHBondContact O-N 3.48Å; M136-S139 PolarHBondContact O-OG 3.37Å; M136-S139 VanDerWaalsContact O-OG 3.13Å; M136-T140 PolarHBondContact O-N 3.1Å; M136-T140 VanDerWaalsContact O-N 3.14Å
137Q87.7Confident91.4Very high28 Ų2855.4 Ų55.413%0.13129%0.289CS..Hα-helixtrans-70-20.5179.2-65.4-172.6-61.400114T102 L107 I133 E134T102-Q137 HydrophobicContact CG2-CG 3.93Å; L107-Q137 PolarHBondContact O-NE2 2.65Å; I133-Q137 PolarHBondContact O-N 3.44Å; E134-Q137 PolarHBondContact O-N 2.93Å; E134-Q137 VanDerWaalsContact O-N 3.13Å
138K87.9Confident91.5Very high162 Ų16254.5 Ų54.570%0.70428%0.282SS*.Hα-helixtrans-84.2-34.4175.5-72.8168.8-173.3162.40112.2E134 S135 M136E134-K138 VanDerWaalsContact O-CG 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.24Å; E134-K138 PolarHBondContact O-N 3.45Å; E134-K138 IonicContact OE2-NZ 3.47Å; E134-K138 PolarHBondContact OE2-NZ 3.3Å; S135-K138 PolarHBondContact O-N 2.94Å; M136-K138 VanDerWaalsContact C-N 3.26Å; M136-K138 PolarHBondContact O-N 2.57Å
139S86.9Confident91.6Very high93 Ų9350 Ų5065%0.6526%0.261SS*.Hα-helixtrans-85-22.5-177.751.50000114.1S135 M136S135-S139 WeakPolarHBondContact O-CB 3.48Å; S135-S139 PolarHBondContact O-N 3.3Å; S135-S139 PolarHBondContact O-OG 2.86Å; M136-S139 PolarHBondContact O-N 3.48Å; M136-S139 PolarHBondContact O-OG 3.37Å; M136-S139 VanDerWaalsContact O-OG 3.13Å
140T87.6Confident91.7Very high35 Ų3552 Ų5222%0.21527%0.269CS..SBendtrans-140.6143.9-177.4-53.10000109.6M136 E144 L145M136-T140 PolarHBondContact O-N 3.1Å; M136-T140 VanDerWaalsContact O-N 3.14Å; T140-E144 HydrophobicContact CG2-CB 3.46Å; T140-E144 VanDerWaalsContact CG2-CB 3.46Å; T140-E144 HydrophobicContact CG2-CG 4.49Å; T140-L145 HydrophobicContact CG2-CD2 3.87Å; T140-L145 HydrophobicContact CG2-CG 3.75Å
141T89.2Confident91.6Very high56 Ų5659 Ų5934%0.34430%0.299SS..  trans-66.7149.8178.466.40000110.7K143 E144 L145T141-K143 PolarHBondContact O-N 3.1Å; T141-K143 VanDerWaalsContact O-N 3.15Å; T141-E144 WeakPolarHBondContact CB-OE2 3.47Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.1Å; T141-E144 PolarHBondContact N-OE2 3.26Å; T141-E144 PolarHBondContact O-N 3.21Å; T141-E144 WeakPolarHBondContact OG1-CB 3.42Å; T141-E144 WeakPolarHBondContact OG1-CG 3.49Å; T141-E144 PolarHBondContact OG1-N 3.31Å; T141-E144 PolarHBondContact OG1-OE2 3.47Å; T141-L145 PolarHBondContact O-N 3.23Å
142P90.4Very high91.2Very high13 Ų1359.2 Ų59.28%0.08432%0.317CS..Hα-helixtrans-53.5-35.4175.3-29.835.2000113.2R146 L184 R187P142-R146 WeakPolarHBondContact O-CB 3.17Å; P142-R146 PolarHBondContact O-N 3.49Å; P142-L184 HydrophobicContact CB-CD1 4.07Å; P142-L184 HydrophobicContact CB-CD2 4.34Å; P142-L184 WeakPolarHBondContact O-CD1 3.44Å; P142-R187 VanDerWaalsContact CD-NH2 3.25Å
143K91.7Very high91Very high120 Ų12060.4 Ų60.452%0.52232%0.324SS..Hα-helixtrans-66-51.6177.8-172.2173.5179.5176.20111.2T141 L145 R146 D147 L184T141-K143 PolarHBondContact O-N 3.1Å; T141-K143 VanDerWaalsContact O-N 3.15Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-L145 PolarHBondContact O-N 3.16Å; K143-R146 PolarHBondContact O-N 3.3Å; K143-R146 VanDerWaalsContact O-N 3.1Å; K143-D147 VanDerWaalsContact O-CG 3.23Å; K143-D147 PolarHBondContact O-N 3.32Å; K143-L184 HydrophobicContact CB-CB 4.44Å
144E92.8Very high90.5Very high105 Ų10565.2 Ų65.249%0.49136%0.358SS..Hα-helixtrans-60.6-39.6176.5-72.9161.315900112.7T140 T141 R146 D147 E148T140-E144 HydrophobicContact CG2-CB 3.46Å; T140-E144 VanDerWaalsContact CG2-CB 3.46Å; T140-E144 HydrophobicContact CG2-CG 4.49Å; T141-E144 WeakPolarHBondContact CB-OE2 3.47Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.1Å; T141-E144 PolarHBondContact N-OE2 3.26Å; T141-E144 PolarHBondContact O-N 3.21Å; T141-E144 WeakPolarHBondContact OG1-CB 3.42Å; T141-E144 WeakPolarHBondContact OG1-CG 3.49Å; T141-E144 PolarHBondContact OG1-N 3.31Å; T141-E144 PolarHBondContact OG1-OE2 3.47Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 3.07Å; E144-D147 PolarHBondContact O-N 3.47Å; E144-E148 WeakPolarHBondContact O-CB 3.33Å; E144-E148 PolarHBondContact O-N 2.53Å
145L93.2Very high89.9Confident4 Ų464 Ų642%0.02137%0.365CS..Hα-helixtrans-62.4-40.5175-73.8173.6000111.5I103 T140 T141 K143 L149I103-L145 HydrophobicContact CG1-CB 4.44Å; I103-L145 HydrophobicContact CG2-CB 4Å; I103-L145 VanDerWaalsContact CG2-O 3.24Å; I103-L145 WeakPolarHBondContact CG2-O 3.25Å; T140-L145 HydrophobicContact CG2-CD2 3.87Å; T140-L145 HydrophobicContact CG2-CG 3.75Å; T141-L145 PolarHBondContact O-N 3.23Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-L145 PolarHBondContact O-N 3.16Å; L145-L149 WeakPolarHBondContact O-CB 3.21Å; L145-L149 PolarHBondContact O-N 3.03Å
146R94.1Very high89.7Confident18 Ų1863.7 Ų63.77%0.06836%0.359CS..Hα-helixtrans-69.1-42176.3-167.3-171.3-72.2171.3-1.1110.7L104 P142 K143 E144 E148 L149 F150 I182 L184L104-R146 PolarHBondContact O-NE 3.01Å; L104-R146 PolarHBondContact O-NH2 3.14Å; P142-R146 WeakPolarHBondContact O-CB 3.17Å; P142-R146 PolarHBondContact O-N 3.49Å; K143-R146 PolarHBondContact O-N 3.3Å; K143-R146 VanDerWaalsContact O-N 3.1Å; E144-R146 VanDerWaalsContact C-N 3.31Å; E144-R146 PolarHBondContact O-N 3.07Å; R146-E148 VanDerWaalsContact C-N 3.31Å; R146-E148 PolarHBondContact O-N 2.82Å; R146-L149 WeakPolarHBondContact O-CB 2.98Å; R146-L149 PolarHBondContact O-N 3.08Å; R146-L149 VanDerWaalsContact O-N 3.1Å; R146-F150 HydrophobicContact CG-CD2 3.83Å; R146-F150 HydrophobicContact CG-CE2 3.65Å; R146-F150 WeakPolarHBondContact O-CD2 3.41Å; R146-F150 PolarHBondContact O-N 3.25Å; R146-I182 PolarHBondContact NH1-O 2.77Å; R146-L184 HydrophobicContact CB-CD1 4.14Å; R146-L184 VanDerWaalsContact CZ-CG 3.46Å
147D92.7Very high89.6Confident92 Ų9267 Ų6749%0.49238%0.38SS..Hα-helixtrans-61.9-40.5176.4-64.8-20.6000110.9K143 E144 L149 F150 K151K143-D147 VanDerWaalsContact O-CG 3.23Å; K143-D147 PolarHBondContact O-N 3.32Å; E144-D147 PolarHBondContact O-N 3.47Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-L149 PolarHBondContact O-N 2.88Å; D147-F150 PolarHBondContact O-N 2.74Å; D147-K151 WeakPolarHBondContact O-CB 3.18Å; D147-K151 PolarHBondContact O-N 3.45Å
148E93.1Very high89.7Confident89 Ų8971.1 Ų71.142%0.41640%0.399SS..Hα-helixtrans-59.4-41.9172.1-172.1-171.3170.700111.7K66 E144 R146 K151K66-E148 IonicContact NZ-OE1 3.51Å; K66-E148 IonicContact NZ-OE2 2.84Å; K66-E148 PolarHBondContact NZ-OE2 3.39Å; E144-E148 WeakPolarHBondContact O-CB 3.33Å; E144-E148 PolarHBondContact O-N 2.53Å; R146-E148 VanDerWaalsContact C-N 3.31Å; R146-E148 PolarHBondContact O-N 2.82Å; E148-K151 WeakPolarHBondContact O-CB 3.42Å; E148-K151 PolarHBondContact O-N 3.27Å
149L94.5Very high89.9Confident8 Ų869.5 Ų69.54%0.04240%0.399CS..Hα-helixtrans-64.8-39.3178.6-173.970.4000112.3A69 K70 H73 Y100 I103 L145 R146 D147A69-L149 HydrophobicContact CB-CD1 4.42Å; K70-L149 HydrophobicContact CB-CD1 4.45Å; H73-L149 HydrophobicContact CB-CD1 3.8Å; H73-L149 HydrophobicContact CB-CD2 4.42Å; H73-L149 HydrophobicContact CB-CG 3.96Å; H73-L149 PolarHBondContact CD2-O 3.5Å; Y100-L149 HydrophobicContact CD2-CD1 4.48Å; Y100-L149 HydrophobicContact CD2-CD2 4.04Å; Y100-L149 HydrophobicContact CE2-CD2 3.86Å; I103-L149 HydrophobicContact CB-CD2 4.34Å; I103-L149 HydrophobicContact CG2-CB 3.85Å; I103-L149 HydrophobicContact CG2-CD2 3.72Å; I103-L149 HydrophobicContact CG2-CG 4.29Å; L145-L149 WeakPolarHBondContact O-CB 3.21Å; L145-L149 PolarHBondContact O-N 3.03Å; R146-L149 WeakPolarHBondContact O-CB 2.98Å; R146-L149 PolarHBondContact O-N 3.08Å; R146-L149 VanDerWaalsContact O-N 3.1Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-L149 PolarHBondContact O-N 2.88Å
150F93.5Very high90.2Very high50 Ų5066.1 Ų66.122%0.21937%0.371CS..Hα-helixtrans-82.9-18.6-179-81.6-113.3000112.7H73 L104 R146 D147 G152 T153 Y156 L161H73-F150 AromaticContact CE1-CD2 3.68Å; H73-F150 AromaticContact CE1-CE1 3.85Å; H73-F150 AromaticContact CE1-CE2 3.49Å; H73-F150 VanDerWaalsContact CE1-CE2 3.49Å; H73-F150 WeakPolarHBondContact CE1-CE2 3.15Å; H73-F150 AromaticContact CE1-CG 3.97Å; H73-F150 AromaticContact CE1-CZ 3.59Å; H73-F150 AromaticContact NE2-CD1 3.88Å; H73-F150 AromaticContact NE2-CD2 3.82Å; H73-F150 AromaticContact NE2-CG 3.74Å; L104-F150 HydrophobicContact CD1-CE2 3.92Å; L104-F150 HydrophobicContact CD1-CZ 4.15Å; R146-F150 HydrophobicContact CG-CD2 3.83Å; R146-F150 HydrophobicContact CG-CE2 3.65Å; R146-F150 WeakPolarHBondContact O-CD2 3.41Å; R146-F150 PolarHBondContact O-N 3.25Å; D147-F150 PolarHBondContact O-N 2.74Å; F150-G152 PolarHBondContact O-N 2.78Å; F150-T153 PolarHBondContact O-N 3.26Å; F150-T153 PolarHBondContact O-OG1 2.69Å; F150-Y156 AromaticContact CE1-CD1 3.57Å; F150-Y156 HydrophobicContact CE1-CD1 3.57Å; F150-Y156 HydrophobicContact CE1-CE1 4.24Å; F150-Y156 AromaticContact CE1-CG 3.88Å; F150-Y156 HydrophobicContact CE1-CG 3.88Å; F150-Y156 AromaticContact CZ-CD1 3.7Å; F150-Y156 HydrophobicContact CZ-CD1 3.7Å; F150-Y156 AromaticContact CZ-CE1 3.88Å; F150-Y156 HydrophobicContact CZ-CE1 3.88Å; F150-Y156 HydrophobicContact CZ-CG 4.21Å; F150-L161 HydrophobicContact CZ-CD1 4.38Å
151K91.7Very high90.5Very high163 Ų16365.4 Ų65.471%0.70937%0.366SS*.THydrogen-bonded Turntrans-55120.7-177.8-172.1174.6-177.2173.30112D147 E148 T153D147-K151 WeakPolarHBondContact O-CB 3.18Å; D147-K151 PolarHBondContact O-N 3.45Å; E148-K151 WeakPolarHBondContact O-CB 3.42Å; E148-K151 PolarHBondContact O-N 3.27Å; K151-T153 VanDerWaalsContact C-N 3.29Å
152G86.2Confident90.7Very high88 Ų8864.3 Ų64.391%0.90736%0.358SS*.THydrogen-bonded Turntrans79.37.2178.800000114.6F150F150-G152 PolarHBondContact O-N 2.78Å
153T88Confident91Very high32 Ų3268.5 Ų68.520%0.19638%0.376CS..  trans-107149.5172.967.70000110.8H73 E74 F150 K151H73-T153 PolarHBondContact NE2-OG1 2.93Å; E74-T153 HydrophobicContact CG-CG2 3.83Å; F150-T153 PolarHBondContact O-N 3.26Å; F150-T153 PolarHBondContact O-OG1 2.69Å; K151-T153 VanDerWaalsContact C-N 3.29Å
154S83.4Confident91.2Very high103 Ų10362.9 Ų62.972%0.7235%0.352SS*.  trans-135.4159.917561.60000110.1C77C77-S154 WeakPolarHBondContact CB-O 3.4Å
155G81.2Confident91.3Very high48 Ų4857.9 Ų57.950%0.49533%0.329SS..  trans91.81.4177.500000115.7T157G155-T157 PolarHBondContact O-N 2.94Å
156Y87.2Confident91.5Very high25 Ų2564.8 Ų64.810%0.09836%0.355CS..  trans-87.899.1169.7-153.6-81000110.2H73 R76 F150 R160 L161 D164H73-Y156 AromaticContact CE1-CD2 3.76Å; R76-Y156 PolarHBondContact NH1-OH 2.76Å; R76-Y156 VanDerWaalsContact NH1-OH 3.16Å; F150-Y156 AromaticContact CE1-CD1 3.57Å; F150-Y156 HydrophobicContact CE1-CD1 3.57Å; F150-Y156 HydrophobicContact CE1-CE1 4.24Å; F150-Y156 AromaticContact CE1-CG 3.88Å; F150-Y156 HydrophobicContact CE1-CG 3.88Å; F150-Y156 AromaticContact CZ-CD1 3.7Å; F150-Y156 HydrophobicContact CZ-CD1 3.7Å; F150-Y156 AromaticContact CZ-CE1 3.88Å; F150-Y156 HydrophobicContact CZ-CE1 3.88Å; F150-Y156 HydrophobicContact CZ-CG 4.21Å; Y156-R160 HydrophobicContact CE1-CG 4.36Å; Y156-R160 HydrophobicContact CE2-CG 4.48Å; Y156-L161 HydrophobicContact CD1-CB 4.34Å; Y156-L161 HydrophobicContact CE1-CB 3.8Å; Y156-L161 HydrophobicContact CE1-CD1 4.19Å; Y156-D164 PolarHBondContact OH-OD2 2.89Å
157T89.2Confident91.6Very high75 Ų7566.9 Ų66.946%0.4636%0.364SS..  trans-74.8156-177.659.70000112.1G155 D159 R160 L161G155-T157 PolarHBondContact O-N 2.94Å; T157-D159 VanDerWaalsContact C-N 3.32Å; T157-D159 PolarHBondContact O-N 2.95Å; T157-R160 WeakPolarHBondContact O-CB 3.41Å; T157-R160 PolarHBondContact O-N 3.38Å; T157-R160 VanDerWaalsContact O-N 3.13Å; T157-R160 WeakPolarHBondContact OG1-CB 3.38Å; T157-R160 PolarHBondContact OG1-N 3.29Å; T157-L161 PolarHBondContact O-N 3.29Å
158E89.3Confident91.8Very high114 Ų11462.5 Ų62.553%0.53334%0.341SS..Hα-helixtrans-59-42.6174-173.1177.3-176.900111.7R160 L161 I162 F183E158-R160 PolarHBondContact O-N 3.1Å; E158-L161 WeakPolarHBondContact O-CA 3.42Å; E158-L161 WeakPolarHBondContact O-CB 3.38Å; E158-L161 PolarHBondContact O-N 3.39Å; E158-I162 HydrophobicContact CG-CD1 4.02Å; E158-I162 HydrophobicContact CG-CG1 4.45Å; E158-I162 WeakPolarHBondContact O-CG1 3.26Å; E158-I162 PolarHBondContact O-N 3.24Å; E158-F183 WeakPolarHBondContact OE1-CZ 3.44Å
159D92.8Very high91.9Very high129 Ų12958.5 Ų58.569%0.6932%0.322SS*.Hα-helixtrans-54.9-39.9175-70.8-31.7000112.5T157 I162 E163T157-D159 VanDerWaalsContact C-N 3.32Å; T157-D159 PolarHBondContact O-N 2.95Å; D159-I162 PolarHBondContact O-N 3.22Å; D159-E163 WeakPolarHBondContact O-CB 3.4Å; D159-E163 PolarHBondContact O-N 2.92Å
160R92Very high92Very high21 Ų2165.1 Ų65.18%0.07935%0.353CS..Hα-helixtrans-71.4-38.2178.5-175.1176.9-179178.9-1.1111.6R76 Y156 T157 E158 E163 D164R76-R160 PolarHBondContact O-NH1 2.85Å; R76-R160 PolarHBondContact O-NH2 2.85Å; Y156-R160 HydrophobicContact CE1-CG 4.36Å; Y156-R160 HydrophobicContact CE2-CG 4.48Å; T157-R160 WeakPolarHBondContact O-CB 3.41Å; T157-R160 PolarHBondContact O-N 3.38Å; T157-R160 VanDerWaalsContact O-N 3.13Å; T157-R160 WeakPolarHBondContact OG1-CB 3.38Å; T157-R160 PolarHBondContact OG1-N 3.29Å; E158-R160 PolarHBondContact O-N 3.1Å; R160-E163 PolarHBondContact O-N 2.73Å; R160-D164 WeakPolarHBondContact O-CB 3.33Å; R160-D164 PolarHBondContact O-N 3.4Å
161L94Very high92.1Very high21 Ų2164.1 Ų64.111%0.1135%0.35CS..Hα-helixtrans-57.5-51170.9179.462000110.2L104 F150 Y156 T157 E158 E163 D164 L165L104-L161 HydrophobicContact CD1-CD1 3.61Å; L104-L161 HydrophobicContact CG-CD1 4.22Å; F150-L161 HydrophobicContact CZ-CD1 4.38Å; Y156-L161 HydrophobicContact CD1-CB 4.34Å; Y156-L161 HydrophobicContact CE1-CB 3.8Å; Y156-L161 HydrophobicContact CE1-CD1 4.19Å; T157-L161 PolarHBondContact O-N 3.29Å; E158-L161 WeakPolarHBondContact O-CA 3.42Å; E158-L161 WeakPolarHBondContact O-CB 3.38Å; E158-L161 PolarHBondContact O-N 3.39Å; L161-E163 PolarHBondContact O-N 3.19Å; L161-D164 PolarHBondContact O-N 3.43Å; L161-L165 HydrophobicContact CD1-CD1 3.93Å; L161-L165 HydrophobicContact CD1-CD2 4.44Å; L161-L165 HydrophobicContact CD1-CG 3.98Å; L161-L165 HydrophobicContact CG-CD1 3.9Å; L161-L165 HydrophobicContact CG-CG 4.29Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.38Å; L161-L165 PolarHBondContact O-N 2.98Å
162I94.4Very high92.2Very high32 Ų3256.4 Ų56.416%0.16432%0.316CS..Hα-helixtrans-61.6-43.9-179.5-64.1170.5000111.1E158 D159 L165 R166 I182E158-I162 HydrophobicContact CG-CD1 4.02Å; E158-I162 HydrophobicContact CG-CG1 4.45Å; E158-I162 WeakPolarHBondContact O-CG1 3.26Å; E158-I162 PolarHBondContact O-N 3.24Å; D159-I162 PolarHBondContact O-N 3.22Å; I162-L165 PolarHBondContact O-N 2.79Å; I162-R166 HydrophobicContact CG2-CG 4.46Å; I162-R166 WeakPolarHBondContact O-CB 3.21Å; I162-R166 VanDerWaalsContact O-CG 3.28Å; I162-R166 WeakPolarHBondContact O-CG 3.26Å; I162-R166 PolarHBondContact O-N 3.33Å; I162-I182 HydrophobicContact CG1-CD1 4.25Å; I162-I182 HydrophobicContact CG1-CG2 4.21Å; I162-I182 HydrophobicContact CG2-CD1 4.42Å
163E95.2Very high92.6Very high101 Ų10157.8 Ų57.847%0.47230%0.299SS..Hα-helixtrans-58.3-50176.1-172.9-169171.300111.4N10 D159 R160 L161 R166 K167N10-E163 PolarHBondContact ND2-OE1 2.83Å; N10-E163 PolarHBondContact ND2-OE2 3.26Å; D159-E163 WeakPolarHBondContact O-CB 3.4Å; D159-E163 PolarHBondContact O-N 2.92Å; R160-E163 PolarHBondContact O-N 2.73Å; L161-E163 PolarHBondContact O-N 3.19Å; E163-R166 PolarHBondContact O-N 2.85Å; E163-K167 PolarHBondContact O-N 2.94Å
164D96Very high92.9Very high2 Ų257.6 Ų57.61%0.01130%0.296CS..Hα-helixtrans-65.9-41.9-178.8-74.7-33.6000111.8L9 R76 L104 Y156 R160 L161 K167 I168L9-D164 HydrophobicContact CD1-CB 4.13Å; R76-D164 IonicContact CZ-OD1 2.83Å; R76-D164 IonicContact CZ-OD2 2.78Å; R76-D164 IonicContact NH1-OD1 3.78Å; R76-D164 IonicContact NH1-OD2 2.9Å; R76-D164 PolarHBondContact NH1-OD2 3.3Å; R76-D164 IonicContact NH2-OD1 3.68Å; R76-D164 PolarHBondContact NH2-OD1 2.84Å; R76-D164 IonicContact NH2-OD2 2.73Å; R76-D164 PolarHBondContact NH2-OD2 3.13Å; L104-D164 HydrophobicContact CD2-CB 4.24Å; Y156-D164 PolarHBondContact OH-OD2 2.89Å; R160-D164 WeakPolarHBondContact O-CB 3.33Å; R160-D164 PolarHBondContact O-N 3.4Å; L161-D164 PolarHBondContact O-N 3.43Å; D164-K167 PolarHBondContact O-N 3.3Å; D164-I168 VanDerWaalsContact O-CG1 3.27Å; D164-I168 WeakPolarHBondContact O-CG1 3.27Å; D164-I168 PolarHBondContact O-N 3.49Å
165L96.4Very high93.3Very high1 Ų157.8 Ų57.81%0.00529%0.289CS..Hα-helixtrans-63-46176.8-70-178.9000111.8L104 S105 L161 I162 K167 I168 Y169 P177 I182L104-L165 HydrophobicContact CG-CD2 4.39Å; L104-L165 WeakPolarHBondContact O-CD2 2.91Å; S105-L165 VanDerWaalsContact CA-CD2 3.5Å; L161-L165 HydrophobicContact CD1-CD1 3.93Å; L161-L165 HydrophobicContact CD1-CD2 4.44Å; L161-L165 HydrophobicContact CD1-CG 3.98Å; L161-L165 HydrophobicContact CG-CD1 3.9Å; L161-L165 HydrophobicContact CG-CG 4.29Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.38Å; L161-L165 PolarHBondContact O-N 2.98Å; I162-L165 PolarHBondContact O-N 2.79Å; L165-K167 VanDerWaalsContact C-N 3.25Å; L165-K167 PolarHBondContact O-N 2.85Å; L165-I168 PolarHBondContact O-N 2.89Å; L165-Y169 WeakPolarHBondContact O-CB 3.45Å; L165-Y169 WeakPolarHBondContact O-CD2 3.33Å; L165-Y169 PolarHBondContact O-N 2.92Å; L165-P177 HydrophobicContact CB-CG 4.14Å; L165-I182 HydrophobicContact CD1-CB 4.18Å; L165-I182 HydrophobicContact CD1-CG1 3.98Å; L165-I182 HydrophobicContact CD1-CG2 4.04Å
166R96Very high93.8Very high148 Ų14860.2 Ų60.256%0.55830%0.296SS*.Hα-helixtrans-56.8-42.6174.7-76.4174.7178.8177.33.3111.3I162 E163 Q170 P177I162-R166 HydrophobicContact CG2-CG 4.46Å; I162-R166 WeakPolarHBondContact O-CB 3.21Å; I162-R166 VanDerWaalsContact O-CG 3.28Å; I162-R166 WeakPolarHBondContact O-CG 3.26Å; I162-R166 PolarHBondContact O-N 3.33Å; E163-R166 PolarHBondContact O-N 2.85Å; R166-Q170 VanDerWaalsContact O-CB 3.32Å; R166-Q170 WeakPolarHBondContact O-CB 3.21Å; R166-Q170 PolarHBondContact O-N 3.07Å; R166-P177 HydrophobicContact CG-CG 4.22Å
167K96.4Very high94.1Very high63 Ų6359.7 Ų59.727%0.27430%0.296SS..Hα-helixtrans-66.8-42.8177.9-173.2165.5-179.9-164.20112.3V8 L9 E163 D164 L165 Q170 L171V8-K167 WeakPolarHBondContact O-CE 3.31Å; V8-K167 PolarHBondContact O-NZ 2.77Å; L9-K167 HydrophobicContact CD2-CB 4.05Å; L9-K167 HydrophobicContact CD2-CD 3.68Å; L9-K167 HydrophobicContact CD2-CG 3.91Å; E163-K167 PolarHBondContact O-N 2.94Å; D164-K167 PolarHBondContact O-N 3.3Å; L165-K167 VanDerWaalsContact C-N 3.25Å; L165-K167 PolarHBondContact O-N 2.85Å; K167-Q170 PolarHBondContact O-N 3.18Å; K167-L171 HydrophobicContact CG-CD1 4.02Å; K167-L171 HydrophobicContact CG-CG 4.47Å; K167-L171 WeakPolarHBondContact O-CB 3.44Å; K167-L171 WeakPolarHBondContact O-CD1 3.23Å; K167-L171 VanDerWaalsContact O-CG 3.23Å; K167-L171 WeakPolarHBondContact O-CG 3.28Å; K167-L171 PolarHBondContact O-N 2.85Å
168I96.7Very high94.2Very high0 Ų058.5 Ų58.50%029%0.291CS..Hα-helixtrans-61.4-46.6176.4-68.7166.1000110.6L9 F101 L104 L107 D164 L165 L171 A172L9-I168 HydrophobicContact CD1-CD1 4.45Å; L9-I168 HydrophobicContact CD2-CG1 4.48Å; F101-I168 HydrophobicContact CB-CD1 4.41Å; F101-I168 HydrophobicContact CD1-CD1 3.83Å; F101-I168 HydrophobicContact CD1-CG1 4.13Å; F101-I168 HydrophobicContact CD2-CD1 4.35Å; F101-I168 HydrophobicContact CD2-CG1 3.94Å; F101-I168 HydrophobicContact CD2-CG2 4.12Å; F101-I168 HydrophobicContact CE1-CD1 4.11Å; F101-I168 HydrophobicContact CE1-CG1 4.08Å; F101-I168 HydrophobicContact CE2-CG1 3.87Å; F101-I168 HydrophobicContact CG-CD1 3.95Å; F101-I168 HydrophobicContact CG-CG1 4.05Å; F101-I168 HydrophobicContact CG-CG2 4.48Å; F101-I168 HydrophobicContact CZ-CD1 4.45Å; F101-I168 HydrophobicContact CZ-CG1 3.92Å; L104-I168 HydrophobicContact CD2-CD1 4.01Å; L107-I168 HydrophobicContact CD1-CG2 4.07Å; D164-I168 VanDerWaalsContact O-CG1 3.27Å; D164-I168 WeakPolarHBondContact O-CG1 3.27Å; D164-I168 PolarHBondContact O-N 3.49Å; L165-I168 PolarHBondContact O-N 2.89Å; I168-L171 PolarHBondContact O-N 3.2Å; I168-A172 WeakPolarHBondContact O-CB 3.18Å; I168-A172 PolarHBondContact O-N 2.84Å
169Y96.3Very high94.3Very high5 Ų557 Ų572%0.0229%0.293CS..Hα-helixtrans-62.8-44178.2-85.1-121.1000111.5L107 L165 L171 A172 E173 L174 D175 P177L107-Y169 HydrophobicContact CD1-CD2 3.88Å; L107-Y169 HydrophobicContact CD1-CE2 3.74Å; L107-Y169 HydrophobicContact CD1-CG 4.49Å; L107-Y169 HydrophobicContact CD2-CE1 4.19Å; L107-Y169 HydrophobicContact CD2-CE2 4.03Å; L107-Y169 HydrophobicContact CG-CE2 3.87Å; L165-Y169 WeakPolarHBondContact O-CB 3.45Å; L165-Y169 WeakPolarHBondContact O-CD2 3.33Å; L165-Y169 PolarHBondContact O-N 2.92Å; Y169-L171 PolarHBondContact O-N 2.92Å; Y169-A172 CarbonylContact O-C 3.56Å; Y169-A172 PolarHBondContact O-N 3.04Å; Y169-A172 VanDerWaalsContact O-N 3.17Å; Y169-E173 PolarHBondContact O-N 2.97Å; Y169-E173 VanDerWaalsContact O-N 3.14Å; Y169-L174 HydrophobicContact CD1-CB 3.96Å; Y169-L174 HydrophobicContact CD1-CD1 4.09Å; Y169-L174 HydrophobicContact CE1-CD1 4.44Å; Y169-L174 HydrophobicContact CG-CB 4.46Å; Y169-L174 HydrophobicContact CG-CD1 4.46Å; Y169-L174 PolarHBondContact O-N 3.2Å; Y169-D175 VanDerWaalsContact CD1-O 3.26Å; Y169-D175 WeakPolarHBondContact CD1-O 3.5Å; Y169-P177 HydrophobicContact CD1-CB 3.93Å; Y169-P177 HydrophobicContact CD1-CG 4.43Å; Y169-P177 HydrophobicContact CD2-CB 4.19Å; Y169-P177 HydrophobicContact CD2-CG 4.29Å; Y169-P177 HydrophobicContact CE1-CB 3.67Å; Y169-P177 HydrophobicContact CE2-CB 3.98Å; Y169-P177 HydrophobicContact CE2-CG 4.49Å; Y169-P177 HydrophobicContact CG-CB 4.17Å; Y169-P177 HydrophobicContact CG-CG 4.26Å
170Q96.3Very high94.1Very high146 Ų14652.5 Ų52.568%0.68227%0.271SS*.Hα-helixtrans-59.1-44.7174.6-175.2-174.914.100112R166 K167 A172 E173R166-Q170 VanDerWaalsContact O-CB 3.32Å; R166-Q170 WeakPolarHBondContact O-CB 3.21Å; R166-Q170 PolarHBondContact O-N 3.07Å; K167-Q170 PolarHBondContact O-N 3.18Å; Q170-A172 VanDerWaalsContact C-N 3.3Å; Q170-A172 PolarHBondContact O-N 2.88Å; Q170-E173 PolarHBondContact O-N 2.83Å
171L95Very high94Very high30 Ų3052.6 Ų52.616%0.15727%0.273CS..Hα-helixtrans-65.7-32.6177.1-72.6166.5000112.2A115 K118 C119 K167 I168 Y169 E173A115-L171 HydrophobicContact CB-CB 3.7Å; K118-L171 HydrophobicContact CB-CD2 3.98Å; K118-L171 WeakPolarHBondContact CD-O 3.27Å; C119-L171 VanDerWaalsContact SG-CD1 3.58Å; K167-L171 HydrophobicContact CG-CD1 4.02Å; K167-L171 HydrophobicContact CG-CG 4.47Å; K167-L171 WeakPolarHBondContact O-CB 3.44Å; K167-L171 WeakPolarHBondContact O-CD1 3.23Å; K167-L171 VanDerWaalsContact O-CG 3.23Å; K167-L171 WeakPolarHBondContact O-CG 3.28Å; K167-L171 PolarHBondContact O-N 2.85Å; I168-L171 PolarHBondContact O-N 3.2Å; Y169-L171 PolarHBondContact O-N 2.92Å; L171-E173 PolarHBondContact O-N 2.87Å
172A94.2Very high93.9Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-74.4-6.8172.800000113.5L111 K114 A115 I168 Y169 Q170 L174L111-A172 HydrophobicContact CB-CB 4.49Å; K114-A172 PolarHBondContact NZ-O 3.03Å; K114-A172 VanDerWaalsContact NZ-O 3.14Å; A115-A172 HydrophobicContact CB-CB 4.18Å; I168-A172 WeakPolarHBondContact O-CB 3.18Å; I168-A172 PolarHBondContact O-N 2.84Å; Y169-A172 CarbonylContact O-C 3.56Å; Y169-A172 PolarHBondContact O-N 3.04Å; Y169-A172 VanDerWaalsContact O-N 3.17Å; Q170-A172 VanDerWaalsContact C-N 3.3Å; Q170-A172 PolarHBondContact O-N 2.88Å; A172-L174 HydrophobicContact CB-CD1 3.84Å; A172-L174 HydrophobicContact CB-CG 3.86Å
173E94.7Very high93.6Very high118 Ų11855.2 Ų55.255%0.55128%0.283SS*.THydrogen-bonded Turntrans61.543.1-170.5-51.4175.7162.500113.1K114 K118 Y169 Q170 L171K114-E173 VanDerWaalsContact CE-OE2 3.26Å; K114-E173 WeakPolarHBondContact CE-OE2 3.37Å; K114-E173 IonicContact NZ-OE2 2.64Å; K114-E173 PolarHBondContact NZ-OE2 3.04Å; K118-E173 WeakPolarHBondContact CE-OE1 3.28Å; K118-E173 VanDerWaalsContact NZ-CD 3.3Å; K118-E173 IonicContact NZ-OE1 3.71Å; K118-E173 PolarHBondContact NZ-OE1 3.3Å; Y169-E173 PolarHBondContact O-N 2.97Å; Y169-E173 VanDerWaalsContact O-N 3.14Å; Q170-E173 PolarHBondContact O-N 2.83Å; L171-E173 PolarHBondContact O-N 2.87Å
174L93.5Very high93.3Very high27 Ų2751.8 Ų51.814%0.14127%0.268CS..  trans-108156.4175-57.2173.1000110.1L107 L111 Y169 A172L107-L174 HydrophobicContact CD1-CD1 3.92Å; L107-L174 HydrophobicContact CD2-CD1 3.84Å; L111-L174 HydrophobicContact CD1-CD1 4.12Å; L111-L174 HydrophobicContact CD1-CD2 4.46Å; Y169-L174 HydrophobicContact CD1-CB 3.96Å; Y169-L174 HydrophobicContact CD1-CD1 4.09Å; Y169-L174 HydrophobicContact CE1-CD1 4.44Å; Y169-L174 HydrophobicContact CG-CB 4.46Å; Y169-L174 HydrophobicContact CG-CD1 4.46Å; Y169-L174 PolarHBondContact O-N 3.2Å; A172-L174 HydrophobicContact CB-CD1 3.84Å; A172-L174 HydrophobicContact CB-CG 3.86Å
175D92.6Very high92.4Very high108 Ų10858.6 Ų58.658%0.57830%0.299SS*.PPolyproline II helixtrans-57.5149.4165.9-62.7-49.1000110.5Y169Y169-D175 VanDerWaalsContact CD1-O 3.26Å; Y169-D175 WeakPolarHBondContact CD1-O 3.5Å
176P92.4Very high91Very high99 Ų9961.8 Ų61.864%0.64332%0.319SS*.PPolyproline II helixtrans-51.4143.5177.4-26.234.4000112.4S178P176-S178 PolarHBondContact O-N 3.26Å
177P92.9Very high89.4Confident13 Ų1362.7 Ų62.78%0.08432%0.322CS..PPolyproline II helixtrans-64.5138.1-175.527.6-35.4000111.2L165 R166 Y169 E181 I182L165-P177 HydrophobicContact CB-CG 4.14Å; R166-P177 HydrophobicContact CG-CG 4.22Å; Y169-P177 HydrophobicContact CD1-CB 3.93Å; Y169-P177 HydrophobicContact CD1-CG 4.43Å; Y169-P177 HydrophobicContact CD2-CB 4.19Å; Y169-P177 HydrophobicContact CD2-CG 4.29Å; Y169-P177 HydrophobicContact CE1-CB 3.67Å; Y169-P177 HydrophobicContact CE2-CB 3.98Å; Y169-P177 HydrophobicContact CE2-CG 4.49Å; Y169-P177 HydrophobicContact CG-CB 4.17Å; Y169-P177 HydrophobicContact CG-CG 4.26Å; P177-E181 VanDerWaalsContact CA-OE2 3.3Å; P177-E181 WeakPolarHBondContact CA-OE2 3.31Å; P177-E181 HydrophobicContact CB-CB 4.13Å; P177-I182 HydrophobicContact CB-CG1 4.02Å; P177-I182 HydrophobicContact CG-CD1 4.38Å; P177-I182 HydrophobicContact CG-CG1 4.06Å
178S92.1Very high87.7Confident50 Ų5062.8 Ų62.835%0.3532%0.321SS..PPolyproline II helixtrans-69.6167168.575.10000111.1P176 S180 E181 I182P176-S178 PolarHBondContact O-N 3.26Å; S178-S180 VanDerWaalsContact C-N 3.27Å; S178-S180 PolarHBondContact O-N 3.28Å; S178-S180 PolarHBondContact OG-N 3.03Å; S178-S180 PolarHBondContact OG-OG 2.78Å; S178-E181 PolarHBondContact N-OE2 2.83Å; S178-E181 PolarHBondContact O-N 2.9Å; S178-E181 WeakPolarHBondContact OG-CG 3.37Å; S178-E181 PolarHBondContact OG-N 3.34Å; S178-E181 VanDerWaalsContact OG-N 3.14Å; S178-I182 VanDerWaalsContact O-CG1 3.32Å; S178-I182 WeakPolarHBondContact O-CG1 3.45Å; S178-I182 PolarHBondContact O-N 3.45Å
179S90.3Very high85.7Confident83 Ų8370.9 Ų70.958%0.5836%0.359SS*.Hα-helixtrans-57.3-41.1172.2-540000112.1E181 I182 F183S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 PolarHBondContact O-N 2.82Å; S179-I182 WeakPolarHBondContact O-CB 3.43Å; S179-I182 PolarHBondContact O-N 2.89Å; S179-F183 WeakPolarHBondContact O-CD2 3.34Å; S179-F183 PolarHBondContact O-N 2.69Å
180S88.2Confident83.3Confident34 Ų3474.9 Ų74.924%0.23839%0.387CS..Hα-helixtrans-65.6-33.6178.9670000112.6S178 L184 E185 T186S178-S180 VanDerWaalsContact C-N 3.27Å; S178-S180 PolarHBondContact O-N 3.28Å; S178-S180 PolarHBondContact OG-N 3.03Å; S178-S180 PolarHBondContact OG-OG 2.78Å; S180-L184 PolarHBondContact O-N 2.77Å; S180-L184 VanDerWaalsContact O-N 3.07Å; S180-E185 PolarHBondContact O-N 3.42Å; S180-T186 WeakPolarHBondContact CB-OG1 3.48Å; S180-T186 PolarHBondContact OG-OG1 3.07Å
181E91.3Very high80.7Confident24 Ų2473.5 Ų73.511%0.11238%0.383CS..Hα-helixtrans-72.4-38.3172.6-71.7178.4121.900111.6P177 S178 S179 F183 L184 R188P177-E181 VanDerWaalsContact CA-OE2 3.3Å; P177-E181 WeakPolarHBondContact CA-OE2 3.31Å; P177-E181 HydrophobicContact CB-CB 4.13Å; S178-E181 PolarHBondContact N-OE2 2.83Å; S178-E181 PolarHBondContact O-N 2.9Å; S178-E181 WeakPolarHBondContact OG-CG 3.37Å; S178-E181 PolarHBondContact OG-N 3.34Å; S178-E181 VanDerWaalsContact OG-N 3.14Å; S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 PolarHBondContact O-N 2.82Å; E181-F183 VanDerWaalsContact C-N 3.35Å; E181-F183 PolarHBondContact O-N 3.46Å; E181-L184 PolarHBondContact O-N 3.44Å; E181-R188 WeakPolarHBondContact OE1-CD 3.5Å; E181-R188 IonicContact OE1-CZ 2.94Å; E181-R188 IonicContact OE1-NE 2.79Å; E181-R188 IonicContact OE1-NH1 2.65Å; E181-R188 PolarHBondContact OE1-NH1 3.48Å; E181-R188 IonicContact OE2-NH1 3.15Å
182I91.2Very high77.9Confident12 Ų1281.4 Ų81.46%0.06242%0.417CS..Hα-helixtrans-60.4-45.5174.3-69.5162.1000110.3R146 I162 L165 P177 S178 S179 L184R146-I182 PolarHBondContact NH1-O 2.77Å; I162-I182 HydrophobicContact CG1-CD1 4.25Å; I162-I182 HydrophobicContact CG1-CG2 4.21Å; I162-I182 HydrophobicContact CG2-CD1 4.42Å; L165-I182 HydrophobicContact CD1-CB 4.18Å; L165-I182 HydrophobicContact CD1-CG1 3.98Å; L165-I182 HydrophobicContact CD1-CG2 4.04Å; P177-I182 HydrophobicContact CB-CG1 4.02Å; P177-I182 HydrophobicContact CG-CD1 4.38Å; P177-I182 HydrophobicContact CG-CG1 4.06Å; S178-I182 VanDerWaalsContact O-CG1 3.32Å; S178-I182 WeakPolarHBondContact O-CG1 3.45Å; S178-I182 PolarHBondContact O-N 3.45Å; S179-I182 WeakPolarHBondContact O-CB 3.43Å; S179-I182 PolarHBondContact O-N 2.89Å; I182-L184 VanDerWaalsContact C-N 3.3Å; I182-L184 PolarHBondContact O-N 3.11Å
183F88.5Confident75.1Confident96 Ų9689.1 Ų89.142%0.42146%0.457SS..THydrogen-bonded Turntrans-86.35.1179.7-61.2-64.6000114.3E158 S179 E181 E185E158-F183 WeakPolarHBondContact OE1-CZ 3.44Å; S179-F183 WeakPolarHBondContact O-CD2 3.34Å; S179-F183 PolarHBondContact O-N 2.69Å; E181-F183 VanDerWaalsContact C-N 3.35Å; E181-F183 PolarHBondContact O-N 3.46Å; F183-E185 HydrophobicContact CB-CG 4.06Å; F183-E185 PolarHBondContact O-N 3.38Å
184L88.4Confident72Confident29 Ų2986.5 Ų86.515%0.15246%0.461CS..THydrogen-bonded Turntrans55.230.9-179.4-62.1175.6000114.4P142 K143 R146 S180 E181 I182P142-L184 HydrophobicContact CB-CD1 4.07Å; P142-L184 HydrophobicContact CB-CD2 4.34Å; P142-L184 WeakPolarHBondContact O-CD1 3.44Å; K143-L184 HydrophobicContact CB-CB 4.44Å; R146-L184 HydrophobicContact CB-CD1 4.14Å; R146-L184 VanDerWaalsContact CZ-CG 3.46Å; S180-L184 PolarHBondContact O-N 2.77Å; S180-L184 VanDerWaalsContact O-N 3.07Å; E181-L184 PolarHBondContact O-N 3.44Å; I182-L184 VanDerWaalsContact C-N 3.3Å; I182-L184 PolarHBondContact O-N 3.11Å
185E76.4Confident68.9Low144 Ų14489.5 Ų89.567%0.67349%0.485SS*.  trans-76.4-30.8175.9-64.1174.9167.400111.5S180 F183S180-E185 PolarHBondContact O-N 3.42Å; F183-E185 HydrophobicContact CB-CG 4.06Å; F183-E185 PolarHBondContact O-N 3.38Å
186T67Low65.9Low69 Ų6990.8 Ų90.842%0.42350%0.499SS..SBendtrans-119.7131.7178.451.70000110.5S180S180-T186 WeakPolarHBondContact CB-OG1 3.48Å; S180-T186 PolarHBondContact OG-OG1 3.07Å
187R62.9Low63Low166 Ų16691.6 Ų91.663%0.62650%0.502SS*.  trans-81.9134.3170.8-72-169.4-175.3-155.43.5110.2P142 E189P142-R187 VanDerWaalsContact CD-NH2 3.25Å; R187-E189 PolarHBondContact O-N 3.48Å
188R60.2Low60Low65 Ų6596.5 Ų96.525%0.24553%0.532CS..  trans-82.6107.2164.1-156.6173.7-159.6142.3-6.9108.1E181E181-R188 WeakPolarHBondContact OE1-CD 3.5Å; E181-R188 IonicContact OE1-CZ 2.94Å; E181-R188 IonicContact OE1-NE 2.79Å; E181-R188 IonicContact OE1-NH1 2.65Å; E181-R188 PolarHBondContact OE1-NH1 3.48Å; E181-R188 IonicContact OE2-NH1 3.15Å
189E55.9Low56.9Low171 Ų171101 Ų10180%0.79955%0.552SS**  trans-65.1141.4172.7-66.9-177.1175.600109.6R187 I191R187-E189 PolarHBondContact O-N 3.48Å; E189-I191 PolarHBondContact O-N 3Å
190S46.3Very low54Low88 Ų88102.1 Ų102.162%0.61556%0.56SS**  trans-57.1113.6-17927.70000110.1K192S190-K192 PolarHBondContact O-N 3.27Å
191I41Very low51.2Low117 Ų117105.4 Ų105.460%0.658%0.583SS**  trans-61.4109.9165.2-58.8172.8000105.3E189 L193E189-I191 PolarHBondContact O-N 3Å; I191-L193 PolarHBondContact O-N 3.12Å
192K37Very low48.2Very low197 Ų197108.9 Ų108.986%0.85761%0.61SS**  trans-50.8112167.7-78.6-178.4177.4177.80106.3S190 G194S190-K192 PolarHBondContact O-N 3.27Å; K192-G194 PolarHBondContact O-N 3.42Å
193L34.6Very low45.2Very low162 Ų162115.4 Ų115.485%0.84865%0.645SS**  trans-68.178.4173.3-148.883.3000106.7I191 S195I191-L193 PolarHBondContact O-N 3.12Å; L193-S195 PolarHBondContact O-N 3.04Å
194G30.2Very low42.6Very low62 Ų62120.1 Ų120.164%0.63967%0.668SS**  trans-72.7122.9-179.600000109.4K192K192-G194 PolarHBondContact O-N 3.42Å
195S28.5Very low39.9Very low91 Ų91126.3 Ų126.364%0.63670%0.701SS**  trans-8.9135.6160.834.30000116.9L193 T197L193-S195 PolarHBondContact O-N 3.04Å; S195-T197 PolarHBondContact O-N 3.42Å
196P28.3Very low37.7Very low134 Ų134129 Ų12987%0.8771%0.711SS**  trans-7395.6179.731.7-31.7000109.3
197T32.6Very low36Very low116 Ų116134.5 Ų134.571%0.71273%0.729SS**  trans-11695.1163.245.70000108.3S195S195-T197 PolarHBondContact O-N 3.42Å
198T28.3Very low34.4Very low116 Ų116137.4 Ų137.471%0.71274%0.74SS**  trans24.5116.9133.650.60000116.9
199N28.6Very low32.9Very low145 Ų145142 Ų14278%0.77577%0.768SS**  trans122.3123.5138.7-62.8-20.1000116.4
200S28.4Very low31.7Very low107 Ų107139.2 Ų139.275%0.74877%0.767SS**  trans74.1108.4140.658.10000120.1
201S28.9Very low31.1Very low103 Ų103141.6 Ų141.672%0.7277%0.772SS**  68.3111.2127.467.70000119.4
202S29.2Very low30.7Very low96 Ų96143.4 Ų143.467%0.67178%0.783SS**  trans27.9130.613567.60000119.4
203N29.1Very low30.5Very low150 Ų150140.9 Ų140.980%0.80278%0.777SS**  trans10262.6154.7-53.4-31.9000118.2
204Q33.3Very low30.4Very low195 Ų195140 Ų14091%0.91177%0.773SS**  trans-130.88.4156.2-71.1-157.31.300116.1F206Q204-F206 VanDerWaalsContact C-N 3.3Å; Q204-F206 PolarHBondContact O-N 3.45Å
205L30.7Very low30.7Very low158 Ų158147.1 Ų147.183%0.82779%0.787SS**SBendtrans-83.29.8-178.9-98159.7000115.9
206F30.6Very low31.2Very low201 Ų201151.4 Ų151.488%0.88279%0.794SS**  trans-139.993.1171.5-74.7-80.9000110.8Q204Q204-F206 VanDerWaalsContact C-N 3.3Å; Q204-F206 PolarHBondContact O-N 3.45Å
207K32.3Very low31.4Very low185 Ų185153 Ų15380%0.80479%0.789SS**  trans-162.4104.3154.2-109.6162.7-171.1179.50110.9
208R28Very low31.7Very low227 Ų227153.4 Ų153.486%0.85780%0.798SS**  trans67.3106.7144.3-65.5177.4164.1164.2-5.4117.2
209L29.8Very low31.9Very low160 Ų160155.5 Ų155.584%0.83880%0.802SS**  -150.981.1118.6-91.2172.2000107.7I211L209-I211 HydrophobicContact CD2-CG1 4.49Å
210S30.8Very low32.2Very low113 Ų113155 Ų15579%0.7980%0.8SS**  trans-80.5107.6156.5-58.10000106.2
211I33.1Very low32.5Very low138 Ų138156.7 Ų156.771%0.70880%0.796SS**  trans-95.897.5163.8-62.6176.4000105.4L209 I213L209-I211 HydrophobicContact CD2-CG1 4.49Å; I211-I213 PolarHBondContact O-N 2.96Å
212D32.5Very low32.9Very low155 Ų155159.5 Ų159.583%0.82980%0.795SS**  trans-64.5108.2169.3-95.4-38.9000109N214D212-N214 PolarHBondContact O-N 3.41Å
213I33.1Very low33.2Very low145 Ų145161 Ų16174%0.74480%0.796SS**  trans-82.998.9159.5-55.2169.5000105.2I211I211-I213 PolarHBondContact O-N 2.96Å
214N32.7Very low33.4Very low143 Ų143161 Ų16177%0.76579%0.794SS**  trans151.4101.1151.3-78.3-33.9000111.1D212D212-N214 PolarHBondContact O-N 3.41Å
215K36.2Very low33.5Very low211 Ų211157.2 Ų157.292%0.91779%0.789SS**  trans-167.2120.4136.9-113.8168.9-178.1178.10112.8
216K39.3Very low33.5Very low182 Ų182155.1 Ų155.179%0.79179%0.788SS**  trans-60145.3164.3-81.3178.6168.5-177.10111.7
217E32.6Very low33.8Very low166 Ų166150.7 Ų150.778%0.77678%0.779SS**  trans45.8116.6139-65.4170.5146.900118.9
218S38.4Very low33.8Very low126 Ų126148.6 Ų148.688%0.88178%0.777SS**  -177.9142.1107.534.60000111.7
219I32.1Very low34.2Very low159 Ų159145.6 Ų145.682%0.81578%0.777SS**  trans-84.7136.6-175-61.7154.2000109.1
220N34.9Very low34.2Very low135 Ų135144.7 Ų144.772%0.72277%0.773SS**  178.7123.9126.5-103.3-16.7000114.8
221E35.8Very low34.3Very low143 Ų143146.1 Ų146.167%0.66877%0.772SS**  trans47122.4132.5-67.5-166.6177.800123.1
222K36.7Very low34.4Very low162 Ų162148.5 Ų148.570%0.70478%0.777SS**  119.3134.3115.6-100.2174.5-176.1127.10118.8
223N34.7Very low34.1Very low127 Ų127147.1 Ų147.168%0.67978%0.775SS**  trans88.293.5156.3-58-17.3000116.6
224I34.6Very low34Very low150 Ų150146.5 Ų146.577%0.76978%0.783SS**  68.4107.977.1-55.5161.4000113.1
225S34.5Very low33.7Very low115 Ų115148.4 Ų148.480%0.80479%0.787SS**  165.1115120.8-69.30000112.1
226S31Very low33.3Very low114 Ų114146.5 Ų146.580%0.79779%0.786SS**  trans-85.1-168165-41.80000109.9
227P37.5Very low32.8Very low109 Ų109143.9 Ų143.971%0.70879%0.785SS**  cis-143.2-166.3-2.536.8-13.5000115.4
228N32.3Very low32.3Very low141 Ų141141.3 Ų141.375%0.75478%0.781SS**  trans97.1109154.2-74.5-13.1000119.4
229L35.8Very low31.8Very low164 Ų164143.2 Ų143.286%0.85978%0.781SS**  180143.498.3-98.5146.7000112.4
230N30.2Very low31.4Very low140 Ų140144.1 Ų144.175%0.74978%0.781SS**  trans-56.5151.2-176.1-61.8-35.1000115.3
231D33.1Very low31.2Very low144 Ų144143.5 Ų143.577%0.7779%0.788SS**  -173.3135.5114-106.8-16000115
232K34.3Very low30.7Very low187 Ų187143.4 Ų143.481%0.81379%0.792SS**  trans77.6111.8149.4-73.1174.2178.3170.40122.4
233T26.5Very low30.6Very low127 Ų127145.1 Ų145.178%0.77980%0.802SS**  trans-57.2149.316535.40000116.4
234S31.8Very low30.2Very low131 Ų131146.4 Ų146.492%0.91681%0.809SS**  trans-157105.1138.9-73.20000108.4
235E25Very low30.2Very low183 Ų183146.8 Ų146.886%0.85581%0.811SS**  trans-75.4144.1169.8-75.1176.7138.700110.9
236L27.8Very low30.2Very low171 Ų171150.6 Ų150.690%0.89581%0.813SS**  trans-152.690.8149.9-119.3144000110.7
237V28.3Very low30.1Very low128 Ų128154 Ų15478%0.77682%0.816SS**  trans34.4122.3137.3-171.90000120.1
238V23.8Very low29.7Very low112 Ų112156.3 Ų156.368%0.67982%0.823SS**  trans-70.6149.6168.2174.50000112.1
239N26.6Very low29.9Very low166 Ų166154.6 Ų154.689%0.88882%0.819SS**  trans-148.3105.5145.1-92.4-16.9000109.6
240E24.7Very low29.7Very low177 Ų177152.1 Ų152.183%0.82782%0.816SS**  trans-85.9143.2157.3-80.9175.8149.300108.6
241S30.7Very low29.7Very low122 Ų122151.6 Ų151.685%0.85382%0.818SS**  trans-137.2108.6165.851.30000109.6
242D25.9Very low29.6Very low142 Ų142150.3 Ų150.376%0.75982%0.815SS**  trans-66.1138.1167.6-72.8-45.7000111.9
243H34.1Very low29.2Very low197 Ų197148.2 Ų148.291%0.91281%0.811SS**  trans-140.596.7153.4-97.33.8000110.5
244D26Very low29.3Very low154 Ų154147.2 Ų147.282%0.82481%0.81SS**  trans-76.4122.5159.5-88.9-37.8000110.5
245I34.1Very low29.1Very low159 Ų159148 Ų14882%0.81580%0.798SS**  trans-144.2102.1148.5-57-175.6000111
246K34.1Very low29.4Very low194 Ų194146.8 Ų146.884%0.84379%0.792SS**  trans42118.8137.4-65.2-177.4176.61800122.6
247Q29.1Very low29.6Very low186 Ų186144.2 Ų144.287%0.86978%0.78SS**  trans-8.4136.5138.5-69.5172.4-27.600119.1
248D30.3Very low29.6Very low158 Ų158147.1 Ų147.185%0.84578%0.778SS**  -167141.6104.2-121.3-17.4000112.5
249P35.2Very low29.9Very low105 Ų105149.7 Ų149.768%0.68278%0.782SS**  trans-117.5142.2176.537.3-24.8000113.8
250S32.7Very low29.8Very low112 Ų112146.9 Ų146.978%0.78378%0.776SS**  trans-168.8126.7148.9-12.40000114
251T29.2Very low30.1Very low128 Ų128144.6 Ų144.679%0.78577%0.774SS**  trans39.2132.2132.946.60000119.6
252T31.8Very low29.9Very low118 Ų118144.9 Ų144.972%0.72477%0.766SS**  178.7127.463-40.60000112.2
253I25.8Very low30.1Very low142 Ų142145.9 Ų145.973%0.72877%0.766SS**  trans15.3133.2137.7-46.3167000121.8
254S27.7Very low29.8Very low106 Ų106143.2 Ų143.274%0.74176%0.758SS**  -177.5110.5129.6-133.80000110.9
255H28.2Very low29.8Very low147 Ų147143.1 Ų143.168%0.68176%0.758SS**  84.6138.586.3-81-62.8000117.3
256H31.6Very low29.6Very low158 Ų158140.5 Ų140.573%0.73175%0.753SS**  trans90141.2165.6-60.5-60000117.5
257N31Very low29.3Very low117 Ų117139.7 Ų139.763%0.62676%0.757SS**  cis-171.1142.3-8.2-112.82.4000107.4
258Y28.6Very low29.2Very low189 Ų189138.4 Ų138.474%0.74176%0.755SS**  trans49136.4139.1-71.3-98.1000124.4
259H30.6Very low29.2Very low166 Ų166137.6 Ų137.677%0.76975%0.75SS**  trans98.4112.1133.5-90.3-50.5000121.2
260S24.9Very low29.1Very low107 Ų107140.1 Ų140.175%0.74876%0.758SS**  trans-36.2132.2154.5-169.50000114.8
261T31.3Very low28.8Very low129 Ų129143.9 Ų143.979%0.79177%0.766SS**  trans-155131.3143.3-37.40000109.9
262D26.1Very low28.8Very low128 Ų128147.4 Ų147.468%0.68477%0.77SS**  trans-47.8167160.2-80.6-56.6000113.8
263H29.9Very low28.8Very low163 Ų163150.5 Ų150.576%0.75578%0.776SS**  trans107.297.8157-52-55.1000117.5
264N27.4Very low28.9Very low141 Ų141151.1 Ų151.175%0.75478%0.781SS**  35.5130.8117.3-79.2-15.6000120
265N27.1Very low28.8Very low152 Ų152153.5 Ų153.581%0.81379%0.785SS**  trans80.7105.6149.6-59.5-15.5000117.9
266S30.1Very low28.9Very low104 Ų104155 Ų15573%0.72779%0.792SS**  trans-175.975.1136178.40000112.2
267I26.5Very low28.9Very low178 Ų178156.2 Ų156.291%0.91380%0.797SS**  trans-137.368.7149.2-53.4179.6000106.4
268L27.9Very low28.9Very low158 Ų158156.2 Ų156.283%0.82780%0.801SS**  trans-149.963.8177.3-139161.7000107.2
269N30.7Very low28.9Very low141 Ų141154.1 Ų154.175%0.75480%0.803SS**  trans-15998.6169.2-89-25.9000106.2
270D31.1Very low28.8Very low158 Ų158154.2 Ų154.285%0.84580%0.804SS**SBendtrans163.869.3150.2-80.2-12.8000109.8
271M28.3Very low29.1Very low191 Ų191156.7 Ų156.794%0.94181%0.807SS**  trans-170.835.8153.9-106-176.4-64.700111.7
272K28.2Very low29.1Very low202 Ų202157.3 Ų157.388%0.87881%0.805SS**  trans-97.782.4160.9-91-173.2175.41790108.1
273H31.2Very low29.2Very low183 Ų183157.7 Ų157.785%0.84781%0.807SS**  trans-149.9141.2155.3-89.9-68.2000107.5
274D27.8Very low29.3Very low156 Ų156156.5 Ų156.583%0.83481%0.807SS**SBendtrans85.453.4-177.3-61-8.9000117.9
275L27.1Very low29.3Very low156 Ų156156.9 Ų156.982%0.81781%0.809SS**SBendtrans-153.7135.6135.1-144.767.9000109.9
276H29.7Very low29.6Very low179 Ų179155.4 Ų155.483%0.82981%0.81SS**  trans96.381.1-175.8-56.9-71.9000115.6
277Q30.7Very low29.4Very low182 Ų182160 Ų16085%0.8582%0.817SS**  trans-128.6117.7132.1-88.2-165.857.100110.5
278V31.1Very low29.6Very low117 Ų117160.3 Ų160.371%0.70982%0.82SS**  trans70.190.5134.3-172.10000115.2
279D28.4Very low29.6Very low145 Ų145160.6 Ų160.678%0.77582%0.817SS**  52.4126.683.5-89.9-25.6000115.5
280Q29.8Very low29.5Very low168 Ų168161 Ų16179%0.78582%0.819SS**  trans85.1107.3162.9-56.4170.152.300116.8
281I31.3Very low29.4Very low159 Ų159157.2 Ų157.282%0.81582%0.817SS**  178.5117.4104.9-82.3153.5000110.6
282N31Very low29.3Very low142 Ų142154.9 Ų154.976%0.75981%0.814SS**  trans43.5111149.6-86.1-22.6000123.8
283N27.6Very low29.3Very low136 Ų136151.2 Ų151.273%0.72781%0.808SS**  26116.5112-77.2-14000118.8
284N32.3Very low29.1Very low139 Ų139148 Ų14874%0.74380%0.803SS**  -179.8130.1100.6-91.3-28.4000113.1
285N28Very low29.1Very low149 Ų149146 Ų14680%0.79780%0.797SS**  trans46.9111.8142.6-65.4-20.9000120.4
286S32Very low29.1Very low120 Ų120143.9 Ų143.984%0.83980%0.795SS**  -173.2126.9104.653.60000112.2
287K27.3Very low29Very low201 Ų201145.3 Ų145.387%0.87480%0.795SS**  trans-44.9138.9166-71.1166.2171.1174.30111.9
288L29.4Very low28.9Very low184 Ų184144.2 Ų144.296%0.96380%0.795SS**  trans-154.9136.7134.5-104.3155000110.5
289Q28.8Very low28.7Very low164 Ų164149.1 Ų149.177%0.76680%0.802SS**  trans-94.7154.8-161.4-104.9173.1-21.300111.7
290N28.3Very low28.7Very low151 Ų151149.4 Ų149.481%0.80780%0.804SS**  trans90120144.9-62.4-14000120.5
291G29.3Very low28.8Very low77 Ų77150 Ų15079%0.79480%0.803SS**  133.673.1122.400000116.7
292T26.2Very low28.8Very low143 Ų143149.2 Ų149.288%0.87780%0.796SS**  trans-114.7119.4164.6-45.70000109.2
293V28.8Very low28.7Very low125 Ų125150.1 Ų150.176%0.75880%0.8SS**  trans-91.2129.2171.91780000108.3
294P27.3Very low28.7Very low114 Ų114147.5 Ų147.574%0.7480%0.804SS**  trans-90.5118.9173.532.2-26000110
295T27.5Very low28.5Very low115 Ų115144.6 Ų144.671%0.70681%0.807SS**  trans-96.998.5164.333.50000109.7
296S26.9Very low28.5Very low112 Ų112143.6 Ų143.678%0.78381%0.807SS**  trans-77120.2163.153.90000109.5
297Y28.2Very low28.5Very low209 Ų209147.6 Ų147.682%0.8281%0.809SS**  trans-92.1112.7164.7-81.7-82.3000109.7
298N28.1Very low28.5Very low159 Ų159143.7 Ų143.785%0.8581%0.807SS**  trans-82.4112.8172.5-146.21.2000107.4
299Y26.7Very low28.6Very low219 Ų219140 Ų14086%0.85979%0.794SS**  trans-106.598.6174.8-129.6-86.2000108.3
300N27.3Very low28.5Very low152 Ų152139.3 Ų139.381%0.81380%0.796SS**  trans-165.297.6161.1-95.7-18.7000109.3
301K32.1Very low28.7Very low179 Ų179140.5 Ų140.578%0.77880%0.796SS**  trans178.4117130.6-107.3-174.7168.7-174.30113
302E31.6Very low28.5Very low143 Ų143144.5 Ų144.567%0.66880%0.799SS**  57.9107.3128.3-67.8174.4151.600121.3
303I29.2Very low28.7Very low162 Ų162145.9 Ų145.983%0.83180%0.795SS**  58.7110.7117.9-56162.9000118.3
304G27.4Very low28.6Very low80 Ų80145.9 Ų145.983%0.82579%0.79SS**  trans98129.3131.700000116.8
305G27.8Very low28.7Very low78 Ų78146.1 Ų146.180%0.80479%0.79SS**  trans128.489157.800000115.5
306T28.7Very low28.7Very low128 Ų128147 Ų14779%0.78579%0.79SS**  trans-31.7137.8162.754.70000117.6
307K32Very low28.8Very low205 Ų205148 Ų14889%0.89178%0.784SS**  139.1134.8129.6-75.7-176.9-179.7176.70115.2
308S27Very low28.8Very low118 Ų118143.8 Ų143.883%0.82578%0.776SS**  trans-50.9168.9-174.6-79.30000119.8
309P31.8Very low28.9Very low107 Ų107141.5 Ų141.570%0.69577%0.768SS**  trans-102.4165-153.340.1-32.7000114.2
310N27.1Very low29Very low150 Ų150136.1 Ų136.180%0.80276%0.758SS**  trans174.8157.2136.3-93.8-21.8000113.2
311Q32.5Very low29.2Very low176 Ų176136.7 Ų136.782%0.82276%0.755SS**  trans89101.8163.4-45.7-167.327.700115.8
312L25.1Very low29.2Very low161 Ų161134 Ų13484%0.84375%0.75SS**  52.6104.580.7-73168.7000113.2
313H28.8Very low29.1Very low172 Ų172133.3 Ų133.380%0.79675%0.75SS**  -177147.3106-128-57.7000113.1
314N27.2Very low29.1Very low124 Ų124131.6 Ų131.666%0.66374%0.743SS**  trans-50.8174.7-179.2-67-21.2000119.5
315T30.1Very low29.4Very low119 Ų119133.4 Ų133.473%0.7373%0.734SS**  trans80.9139139.227.50000116.1
316D26.5Very low29.6Very low133 Ų133135.7 Ų135.771%0.71173%0.728SS**  cis-176.7160.7-13.7-128.7-19.9000106
317M29.2Very low29.8Very low134 Ų134135.6 Ų135.666%0.6672%0.722SS**  trans73.7116.8142.8-65.9-85.1-89.600121.2
318N29Very low29.8Very low120 Ų120132.1 Ų132.164%0.64271%0.714SS**  67.8139.3124-710.1000117.8
319T29.8Very low30.1Very low112 Ų112135.3 Ų135.369%0.68772%0.715SS**  cis179.7142.427.44.70000108
320T29Very low30Very low105 Ų105138.8 Ų138.864%0.64472%0.722SS**  81.4118.2127.5-57.40000122.4
321H31.5Very low30.3Very low164 Ų164138.8 Ų138.876%0.75972%0.721SS**  trans59.9148.3138.7-71.436000117.2
322N31.5Very low30.3Very low123 Ų123137.2 Ų137.266%0.65872%0.718SS**  cis-166.7141.927.2-137.9-11.2000108.5
323N29.7Very low30.6Very low128 Ų128135.9 Ų135.968%0.68471%0.712SS**  trans35.6128.7134.4-76.5-9.4000122.6
324N30.6Very low30.7Very low126 Ų126138.8 Ų138.867%0.67472%0.717SS**  112.5120.1118.4-88.7-1.2000119.1
325N31.8Very low30.9Very low119 Ų119139 Ų13964%0.63672%0.718SS**  94.9113.9128.8-78.1-4.8000119.9
326N33.1Very low30.9Very low125 Ų125140.2 Ų140.267%0.66872%0.72SS**  64.8108.4122.3-70.70.6000117.6
327N32.9Very low31.2Very low126 Ų126141.7 Ų141.767%0.67473%0.727SS**  160.5134.877-98.8-14.1000110.4
328N31.3Very low31.4Very low133 Ų133141.4 Ų141.471%0.71173%0.727SS**  trans48.5110.2139.2-55.8-11.3000119.6
329H33.6Very low31.5Very low185 Ų185145.7 Ų145.786%0.85674%0.741SS**  -158.8125110.2-110.1-52.4000112.2
330E29.8Very low31.8Very low180 Ų180147.8 Ų147.884%0.84175%0.747SS**  trans-53.8133.8168.6-64.7164.1130.300111.9
331I32.8Very low31.8Very low150 Ų150151.7 Ų151.777%0.76976%0.755SS**  trans-143.6105.9146.7-60.7-172.1000108.6
332D34.3Very low31.9Very low142 Ų142149.7 Ų149.776%0.75976%0.759SS**  trans65.9101.1142.3-53.7-24.6000122.3Y334D332-Y334 PolarHBondContact O-N 3.34Å
333N30.8Very low31.8Very low134 Ų134148.7 Ų148.772%0.71776%0.762SS**  trans-45.8121.7154.2-92.2-38.5000113.3
334Y30.7Very low31.8Very low232 Ų232151.8 Ų151.891%0.9177%0.769SS**  trans-116.987.1140.4-94.1-87.8000108.9D332 N336D332-Y334 PolarHBondContact O-N 3.34Å; Y334-N336 PolarHBondContact O-N 3.21Å
335N30.9Very low31.7Very low130 Ų130152.7 Ų152.770%0.69577%0.772SS**  trans-73.9100.2165.1-89.5-33000109.1
336N29.6Very low31.4Very low143 Ų143152 Ų15277%0.76577%0.773SS**  trans-166.769.7155.3-110.5-22.2000111Y334Y334-N336 PolarHBondContact O-N 3.21Å
337I32.9Very low31.3Very low165 Ų165152 Ų15285%0.84677%0.771SS**  trans-109.997.9159.3-57.3-179.9000106.5K339I337-K339 PolarHBondContact O-N 3.49Å
338N34.3Very low30.9Very low127 Ų127150.9 Ų150.968%0.67977%0.773SS**  trans-36.9128.5170.4-77.6-39.1000110.7L340N338-L340 PolarHBondContact O-N 3.22Å
339K31.2Very low30.8Very low211 Ų211154.3 Ų154.392%0.91778%0.778SS**  trans-54.986.2161.9-85178.1173.6175.20108.4I337 K341I337-K339 PolarHBondContact O-N 3.49Å; K339-K341 PolarHBondContact O-N 3.01Å
340L34.8Very low30.5Very low156 Ų156149.2 Ų149.282%0.81777%0.768SS**  trans-68.8103.4172.5-96137.3000107.1N338 S342N338-L340 PolarHBondContact O-N 3.22Å; L340-S342 PolarHBondContact O-N 3.33Å
341K30.9Very low30.4Very low187 Ų187148.9 Ų148.981%0.81377%0.77SS**  trans-45.4123.1167.2-71.2177.6175.61790108.4K339 S343K339-K341 PolarHBondContact O-N 3.01Å; K341-S343 PolarHBondContact O-N 2.98Å; K341-S343 PolarHBondContact O-OG 3.11Å
342S32.5Very low30.3Very low121 Ų121147.2 Ų147.285%0.84677%0.767SS**  trans-60.2106.8173.966.50000108.2L340 K344L340-S342 PolarHBondContact O-N 3.33Å; S342-K344 PolarHBondContact O-N 2.85Å
343S28.8Very low30.2Very low102 Ų102148.6 Ų148.671%0.71377%0.769SS**  trans-85107.6175.9-58.80000106.9K341 I345K341-S343 PolarHBondContact O-N 2.98Å; K341-S343 PolarHBondContact O-OG 3.11Å; S343-I345 PolarHBondContact O-N 3.48Å; S343-I345 VanDerWaalsContact O-N 3.11Å
344K29.4Very low30.2Very low193 Ų193152 Ų15284%0.83978%0.78SS**  trans-68.2104.7172-169.4179.4-177.3-177.90107.5S342 T346S342-K344 PolarHBondContact O-N 2.85Å; K344-T346 PolarHBondContact O-N 3.23Å
345I28.5Very low30.5Very low145 Ų145145.5 Ų145.574%0.74477%0.768SS**  trans-79.9114.8174.1-58.1176.4000107.1S343 I347S343-I345 PolarHBondContact O-N 3.48Å; S343-I345 VanDerWaalsContact O-N 3.11Å; I345-I347 HydrophobicContact CG2-CG1 4.02Å
346T27.3Very low31Very low105 Ų105144.2 Ų144.264%0.64477%0.766SS**  trans-103.5112.2170.9-530000107.1K344K344-T346 PolarHBondContact O-N 3.23Å
347I29.9Very low31.8Very low124 Ų124144.9 Ų144.964%0.63676%0.764SS**  trans-90.9111.8174.3-56.8176.6000106.8I345 Y349I345-I347 HydrophobicContact CG2-CG1 4.02Å; I347-Y349 HydrophobicContact CG2-CD2 4.2Å; I347-Y349 HydrophobicContact CG2-CE2 3.85Å
348S24.8Very low32.4Very low103 Ų103140.5 Ų140.572%0.7275%0.753SS**  trans-102113.5171.3-53.10000107.3A350S348-A350 PolarHBondContact O-N 2.94Å
349Y29.8Very low33Very low205 Ų205139.5 Ų139.580%0.80475%0.747SS**  trans-76.9107171.2-72.5-85.7000108.2I347I347-Y349 HydrophobicContact CG2-CD2 4.2Å; I347-Y349 HydrophobicContact CG2-CE2 3.85Å
350A26.8Very low34.3Very low79 Ų79132.2 Ų132.265%0.65373%0.727SS**  trans-82.3119.6164.500000107.7S348 T352S348-A350 PolarHBondContact O-N 2.94Å; A350-T352 VanDerWaalsContact C-N 3.29Å; A350-T352 HydrophobicContact CB-CG2 4.34Å; A350-T352 PolarHBondContact O-N 3.34Å
351I27.3Very low35.5Very low173 Ų173128.7 Ų128.789%0.88771%0.711SS**  trans-74.488.5172-56.2171.2000106.2
352T30.2Very low37.1Very low115 Ų115123.9 Ų123.971%0.70669%0.694SS**  trans-119.3112.9172.6520000109.3A350A350-T352 VanDerWaalsContact C-N 3.29Å; A350-T352 HydrophobicContact CB-CG2 4.34Å; A350-T352 PolarHBondContact O-N 3.34Å
353H33.3Very low39Very low171 Ų171124 Ų12479%0.79268%0.682SS**  trans25.7124157-78.7-86000119.1S355H353-S355 PolarHBondContact O-N 3.34Å
354E30.8Very low41Very low205 Ų205124.1 Ų124.196%0.95867%0.667SS**  trans-20.5102.1159-74.6167.3143.500112.9
355S37.2Very low43.3Very low95 Ų95118.6 Ų118.666%0.66465%0.646SS**  trans-130.5138.5172.3179.70000107.8H353 E357H353-S355 PolarHBondContact O-N 3.34Å; S355-E357 PolarHBondContact O-N 3.41Å
356T40.6Very low45.7Very low104 Ų104119.8 Ų119.864%0.63865%0.646SS**  trans-62.960.4-173.442.20000114A358 D359T356-A358 PolarHBondContact O-N 3.02Å; T356-D359 PolarHBondContact O-N 2.68Å
357E46.4Very low48.2Very low156 Ų156120.4 Ų120.473%0.72965%0.646SS**Hα-helixtrans-66.4-21.5179.3-84.8-172.3153.500113.6S355 A360 V361S355-E357 PolarHBondContact O-N 3.41Å; E357-A360 PolarHBondContact O-N 2.79Å; E357-V361 WeakPolarHBondContact O-CG2 3.22Å; E357-V361 PolarHBondContact O-N 2.96Å; E357-V361 VanDerWaalsContact O-N 3.11Å
358A44.9Very low50.4Low73 Ų73115.5 Ų115.560%0.60362%0.621SS**Hα-helixtrans-63.9-41.3177.500000112.1T356 A360 V361 D362T356-A358 PolarHBondContact O-N 3.02Å; A358-A360 VanDerWaalsContact C-N 3.35Å; A358-A360 PolarHBondContact O-N 2.84Å; A358-V361 PolarHBondContact O-N 3.39Å; A358-D362 PolarHBondContact O-N 3.07Å; A358-D362 VanDerWaalsContact O-N 3.1Å
359D47.1Very low53Low107 Ų107113.6 Ų113.657%0.57261%0.608SS**Hα-helixtrans-68.7-35.4179.1-67.3-37.3000111.7T356 D362 E363T356-D359 PolarHBondContact O-N 2.68Å; D359-D362 PolarHBondContact O-N 3.11Å; D359-E363 WeakPolarHBondContact O-CB 3.3Å; D359-E363 PolarHBondContact O-N 2.63Å
360A58.6Low55.2Low58 Ų58106.8 Ų106.848%0.47959%0.594SS.*Hα-helixtrans-68.8-35.3177.400000112.5E357 A358 Y364E357-A360 PolarHBondContact O-N 2.79Å; A358-A360 VanDerWaalsContact C-N 3.35Å; A358-A360 PolarHBondContact O-N 2.84Å; A360-Y364 VanDerWaalsContact O-CB 3.29Å; A360-Y364 WeakPolarHBondContact O-CB 3.31Å; A360-Y364 PolarHBondContact O-N 3.41Å
361V61.3Low57.4Low81 Ų81109 Ų10949%0.49160%0.595SS.*Hα-helixtrans-69.2-44.3174.6173.50000110.5E357 A358 Y364 L365E357-V361 WeakPolarHBondContact O-CG2 3.22Å; E357-V361 PolarHBondContact O-N 2.96Å; E357-V361 VanDerWaalsContact O-N 3.11Å; A358-V361 PolarHBondContact O-N 3.39Å; V361-Y364 PolarHBondContact O-N 3.25Å; V361-L365 HydrophobicContact CG1-CD1 3.94Å; V361-L365 HydrophobicContact CG1-CG 4.29Å; V361-L365 WeakPolarHBondContact O-CB 3.49Å; V361-L365 VanDerWaalsContact O-CG 3.24Å; V361-L365 WeakPolarHBondContact O-CG 3.5Å; V361-L365 PolarHBondContact O-N 2.91Å
362D63.4Low59.5Low86 Ų86105.3 Ų105.346%0.4657%0.574SS.*Hα-helixtrans-66.9-38178.6-87.9-5.6000112.7A358 D359 L365 K366A358-D362 PolarHBondContact O-N 3.07Å; A358-D362 VanDerWaalsContact O-N 3.1Å; D359-D362 PolarHBondContact O-N 3.11Å; D362-L365 PolarHBondContact O-N 3.25Å; D362-K366 WeakPolarHBondContact O-CB 3.48Å; D362-K366 VanDerWaalsContact O-CG 3.3Å; D362-K366 WeakPolarHBondContact O-CG 3.38Å; D362-K366 PolarHBondContact O-N 3.45Å
363E72Confident61.7Low124 Ų124104 Ų10458%0.57956%0.556SS**Hα-helixtrans-63.6-44.4172.4-172.1174.9-172.900111.3D359 L365 K366 N367D359-E363 WeakPolarHBondContact O-CB 3.3Å; D359-E363 PolarHBondContact O-N 2.63Å; E363-L365 PolarHBondContact O-N 3.2Å; E363-K366 PolarHBondContact O-N 3.21Å; E363-N367 VanDerWaalsContact CG-ND2 3.35Å; E363-N367 WeakPolarHBondContact CG-ND2 3.2Å; E363-N367 VanDerWaalsContact O-CB 3.32Å; E363-N367 WeakPolarHBondContact O-CB 3.42Å; E363-N367 PolarHBondContact O-N 3.02Å; E363-N367 PolarHBondContact O-ND2 2.97Å
364Y72.3Confident63.5Low104 Ų104101.3 Ų101.341%0.40855%0.548SS..Hα-helixtrans-61.1-43.6174.6176.2-103.4000112.2A360 V361 K366 N367 T368 R373A360-Y364 VanDerWaalsContact O-CB 3.29Å; A360-Y364 WeakPolarHBondContact O-CB 3.31Å; A360-Y364 PolarHBondContact O-N 3.41Å; V361-Y364 PolarHBondContact O-N 3.25Å; Y364-K366 VanDerWaalsContact C-N 3.32Å; Y364-K366 PolarHBondContact O-N 2.9Å; Y364-N367 PolarHBondContact O-N 3.1Å; Y364-T368 WeakPolarHBondContact CD2-OG1 3.24Å; Y364-T368 HydrophobicContact CE2-CG2 4.13Å; Y364-T368 WeakPolarHBondContact CE2-OG1 3.26Å; Y364-T368 VanDerWaalsContact O-CB 3.23Å; Y364-T368 WeakPolarHBondContact O-CB 3.33Å; Y364-T368 PolarHBondContact O-N 3.25Å; Y364-T368 VanDerWaalsContact O-N 3.1Å; Y364-T368 PolarHBondContact O-OG1 3.23Å; Y364-R373 HydrophobicContact CE1-CG 3.97Å
365L76.8Confident65.4Low78 Ų78102.2 Ų102.241%0.40854%0.542SS..Hα-helixtrans-68.1-30.7179.1-68.1174.2000112.7V361 D362 E363 R373V361-L365 HydrophobicContact CG1-CD1 3.94Å; V361-L365 HydrophobicContact CG1-CG 4.29Å; V361-L365 WeakPolarHBondContact O-CB 3.49Å; V361-L365 VanDerWaalsContact O-CG 3.24Å; V361-L365 WeakPolarHBondContact O-CG 3.5Å; V361-L365 PolarHBondContact O-N 2.91Å; D362-L365 PolarHBondContact O-N 3.25Å; E363-L365 PolarHBondContact O-N 3.2Å; L365-R373 PolarHBondContact O-NH1 3.05Å
366K79Confident66.8Low169 Ų169102.6 Ų102.674%0.73554%0.536SS*.Hα-helixtrans-76.7-36.4175.3-76.9171.7-176.6166.30113D362 E363 Y364D362-K366 WeakPolarHBondContact O-CB 3.48Å; D362-K366 VanDerWaalsContact O-CG 3.3Å; D362-K366 WeakPolarHBondContact O-CG 3.38Å; D362-K366 PolarHBondContact O-N 3.45Å; E363-K366 PolarHBondContact O-N 3.21Å; Y364-K366 VanDerWaalsContact C-N 3.32Å; Y364-K366 PolarHBondContact O-N 2.9Å
367N79.9Confident67.8Low119 Ų119105.8 Ų105.864%0.63654%0.537SS*.Hα-helixtrans-94.5-4.4-173.2-68-23000114.3E363 Y364E363-N367 VanDerWaalsContact CG-ND2 3.35Å; E363-N367 WeakPolarHBondContact CG-ND2 3.2Å; E363-N367 VanDerWaalsContact O-CB 3.32Å; E363-N367 WeakPolarHBondContact O-CB 3.42Å; E363-N367 PolarHBondContact O-N 3.02Å; E363-N367 PolarHBondContact O-ND2 2.97Å; Y364-N367 PolarHBondContact O-N 3.1Å
368T76.8Confident68.3Low20 Ų20107.6 Ų107.612%0.12354%0.542CS..SBendtrans-121.5130.9-176.6-35.90000111.1Y364 E372 R373Y364-T368 WeakPolarHBondContact CD2-OG1 3.24Å; Y364-T368 HydrophobicContact CE2-CG2 4.13Å; Y364-T368 WeakPolarHBondContact CE2-OG1 3.26Å; Y364-T368 VanDerWaalsContact O-CB 3.23Å; Y364-T368 WeakPolarHBondContact O-CB 3.33Å; Y364-T368 PolarHBondContact O-N 3.25Å; Y364-T368 VanDerWaalsContact O-N 3.1Å; Y364-T368 PolarHBondContact O-OG1 3.23Å; T368-E372 HydrophobicContact CG2-CB 3.78Å; T368-E372 HydrophobicContact CG2-CG 3.55Å; T368-R373 HydrophobicContact CG2-CG 3.72Å
369S79.2Confident68.2Low63 Ų63112 Ų11244%0.44155%0.55SS..  trans-68.9157.6176.570.50000112D371 E372 R373S369-D371 VanDerWaalsContact C-N 3.27Å; S369-D371 PolarHBondContact O-N 3.44Å; S369-E372 PolarHBondContact O-N 2.97Å; S369-E372 WeakPolarHBondContact OG-CB 3.46Å; S369-E372 PolarHBondContact OG-N 3.46Å; S369-R373 WeakPolarHBondContact O-CG 3.44Å; S369-R373 PolarHBondContact O-N 3.31Å
370A75Confident67.7Low62 Ų62112.8 Ų112.851%0.51256%0.558SS.*Hα-helixtrans-57.2-41.5177.100000112.3E372 R373 D374A370-E372 PolarHBondContact O-N 3.5Å; A370-R373 PolarHBondContact O-N 3.44Å; A370-D374 PolarHBondContact O-N 2.98Å
371D73.7Confident66.5Low127 Ų127117 Ų11768%0.67957%0.571SS**Hα-helixtrans-66.3-36.7178.9-64.5-23.9000112.4S369 D374 R375S369-D371 VanDerWaalsContact C-N 3.27Å; S369-D371 PolarHBondContact O-N 3.44Å; D371-D374 PolarHBondContact O-N 2.86Å; D371-R375 WeakPolarHBondContact O-CG 3.44Å; D371-R375 PolarHBondContact O-N 3.35Å
372E71.4Confident65.1Low95 Ų95119.2 Ų119.244%0.44458%0.579SS.*Hα-helixtrans-73.1-38.8177.9-175.9175.2-164.900111.9T368 S369 A370 D374 R375 L376T368-E372 HydrophobicContact CG2-CB 3.78Å; T368-E372 HydrophobicContact CG2-CG 3.55Å; S369-E372 PolarHBondContact O-N 2.97Å; S369-E372 WeakPolarHBondContact OG-CB 3.46Å; S369-E372 PolarHBondContact OG-N 3.46Å; A370-E372 PolarHBondContact O-N 3.5Å; E372-D374 VanDerWaalsContact C-N 3.28Å; E372-D374 PolarHBondContact O-N 3.46Å; E372-R375 PolarHBondContact O-N 2.99Å; E372-L376 HydrophobicContact CG-CD1 4.01Å; E372-L376 WeakPolarHBondContact O-CB 3.2Å; E372-L376 WeakPolarHBondContact O-CG 3.25Å; E372-L376 PolarHBondContact O-N 3.06Å
373R76.7Confident63.7Low87 Ų87121 Ų12133%0.32859%0.593SS.*Hα-helixtrans-60.6-39.3171.1-67.8-171.4-56.4-148.53.9111.7Y364 L365 T368 S369 A370 L376 R377Y364-R373 HydrophobicContact CE1-CG 3.97Å; L365-R373 PolarHBondContact O-NH1 3.05Å; T368-R373 HydrophobicContact CG2-CG 3.72Å; S369-R373 WeakPolarHBondContact O-CG 3.44Å; S369-R373 PolarHBondContact O-N 3.31Å; A370-R373 PolarHBondContact O-N 3.44Å; R373-L376 PolarHBondContact O-N 2.71Å; R373-R377 WeakPolarHBondContact O-CB 3.41Å; R373-R377 PolarHBondContact O-N 2.9Å; R373-R377 VanDerWaalsContact O-N 3.12Å
374D70.8Confident61.7Low114 Ų114122.7 Ų122.761%0.6160%0.601SS**Hα-helixtrans-71.3-38.2179.5-13733.1000111.7A370 D371 E372 L376 R377A370-D374 PolarHBondContact O-N 2.98Å; D371-D374 PolarHBondContact O-N 2.86Å; E372-D374 VanDerWaalsContact C-N 3.28Å; E372-D374 PolarHBondContact O-N 3.46Å; D374-L376 PolarHBondContact O-N 3.22Å; D374-R377 WeakPolarHBondContact O-CB 3.31Å; D374-R377 PolarHBondContact O-N 3.18Å
375R71.4Confident59.8Low224 Ų224122.3 Ų122.385%0.84562%0.619SS**Hα-helixtrans-63.5-37.1172.9-78.5-178.7179.1-163.31.3113.7D371 E372D371-R375 WeakPolarHBondContact O-CG 3.44Å; D371-R375 PolarHBondContact O-N 3.35Å; E372-R375 PolarHBondContact O-N 2.99Å
376L64.9Low57.7Low104 Ų104129.3 Ų129.355%0.54564%0.642SS.*Hα-helixtrans-87.3-7.5-177.2-68.2171.7000113.1E372 R373 D374 K378E372-L376 HydrophobicContact CG-CD1 4.01Å; E372-L376 WeakPolarHBondContact O-CB 3.2Å; E372-L376 WeakPolarHBondContact O-CG 3.25Å; E372-L376 PolarHBondContact O-N 3.06Å; R373-L376 PolarHBondContact O-N 2.71Å; D374-L376 PolarHBondContact O-N 3.22Å; L376-K378 PolarHBondContact O-N 3.35Å; L376-K378 VanDerWaalsContact O-N 3.07Å
377R63Low55.6Low170 Ų170126.4 Ų126.464%0.64264%0.643SS**  trans-65.5110.5-178.2-161174.2-171.6-159.80.7110.3R373 D374 H379R373-R377 WeakPolarHBondContact O-CB 3.41Å; R373-R377 PolarHBondContact O-N 2.9Å; R373-R377 VanDerWaalsContact O-N 3.12Å; D374-R377 WeakPolarHBondContact O-CB 3.31Å; D374-R377 PolarHBondContact O-N 3.18Å; R377-H379 PolarHBondContact O-N 3.16Å
378K57.1Low53.5Low195 Ų195129.6 Ų129.685%0.84865%0.651SS**  trans-69.4114.5171-70.2-176.6-179.71750109.2L376 V380L376-K378 PolarHBondContact O-N 3.35Å; L376-K378 VanDerWaalsContact O-N 3.07Å; K378-V380 PolarHBondContact O-N 3.08Å
379H42Very low51.6Low164 Ų164135.7 Ų135.776%0.75968%0.681SS**  trans-70.1113.1169.7-73.8-73.2000109.9R377R377-H379 PolarHBondContact O-N 3.16Å
380V35.7Very low49.6Very low124 Ų124139.3 Ų139.375%0.75270%0.696SS**  trans-91.9115.7169.3-178.70000107.8K378 I382K378-V380 PolarHBondContact O-N 3.08Å; V380-I382 HydrophobicContact CG1-CG1 4.15Å
381I33.8Very low47.7Very low146 Ų146144 Ų14475%0.74971%0.712SS**  trans-94.1111.7170.5-59.7175.8000106.9T383I381-T383 PolarHBondContact O-N 2.85Å
382I33.1Very low45.9Very low129 Ų129145.3 Ų145.366%0.66271%0.714SS**  trans-87.5104.2171.9-57177.4000107.6V380V380-I382 HydrophobicContact CG1-CG1 4.15Å
383T32.3Very low44.4Very low122 Ų122148.9 Ų148.975%0.74873%0.734SS**  trans-90.2106.4172.8-35.20000108.6I381 A385I381-T383 PolarHBondContact O-N 2.85Å; T383-A385 PolarHBondContact O-N 2.92Å
384H30.9Very low42.6Very low160 Ų160151 Ų15174%0.74175%0.752SS**  trans-73.7110.4169.7-75.2-84.6000109.3
385A33.1Very low40.6Very low96 Ų96154.7 Ų154.779%0.79377%0.766SS**  trans-76119.6164.200000108.4T383 S387T383-A385 PolarHBondContact O-N 2.92Å; A385-S387 PolarHBondContact O-N 3.18Å; A385-S387 VanDerWaalsContact O-N 3.07Å
386Y32.7Very low39Very low225 Ų225155.6 Ų155.688%0.88279%0.785SS**  trans-65.7106.5166.8-75.2-87000108.1K388Y386-K388 PolarHBondContact O-N 2.77Å; Y386-K388 VanDerWaalsContact O-N 3.16Å
387S34Very low37.7Very low108 Ų108158.2 Ų158.276%0.75580%0.797SS**  trans-71.5106.7166.1-150.50000106.7A385 I389A385-S387 PolarHBondContact O-N 3.18Å; A385-S387 VanDerWaalsContact O-N 3.07Å; S387-I389 PolarHBondContact O-N 2.92Å; S387-I389 VanDerWaalsContact O-N 3.08Å
388K35.2Very low36.3Very low186 Ų186157.5 Ų157.581%0.80981%0.805SS**  trans-59.2111.2162.2-73.9-176.9176.8-176.90106Y386 D390Y386-K388 PolarHBondContact O-N 2.77Å; Y386-K388 VanDerWaalsContact O-N 3.16Å; K388-D390 PolarHBondContact O-N 3.34Å
389I37.3Very low35.2Very low149 Ų149155.4 Ų155.476%0.76480%0.802SS**  trans-74.3112.9161.8-64170.8000103.7S387 D391S387-I389 PolarHBondContact O-N 2.92Å; S387-I389 VanDerWaalsContact O-N 3.08Å; I389-D391 PolarHBondContact O-N 3.29Å
390D37Very low34.8Very low139 Ų139154.9 Ų154.974%0.74381%0.805SS**  trans-58.6114.3171.6-82.7-41.1000108.6K388 H392K388-D390 PolarHBondContact O-N 3.34Å; D390-H392 PolarHBondContact O-N 3.48Å
391D35.4Very low34.7Very low161 Ų161156.9 Ų156.986%0.86181%0.808SS**  trans-70.677.6162.4-78.4-33.3000108.1I389I389-D391 PolarHBondContact O-N 3.29Å
392H36.5Very low34.8Very low154 Ų154157.6 Ų157.671%0.71381%0.812SS**  trans-13876.1160-106.8-65.7000107.6D390 D394D390-H392 PolarHBondContact O-N 3.48Å; H392-D394 IonicContact ND1-OD1 3.84Å
393I39.7Very low34.9Very low170 Ų170159.6 Ų159.687%0.87282%0.823SS**  trans-111.9104.3153.3-64-177.3000105.5
394D37.9Very low35.1Very low131 Ų131162.5 Ų162.570%0.70183%0.829SS**  trans-55149.9177-73.5-43000112.4H392H392-D394 IonicContact ND1-OD1 3.84Å
395Q30.1Very low35.5Very low192 Ų192162.8 Ų162.890%0.89784%0.836SS**  trans-53126.7167-66.9165.1-9.300111.5
396I36.7Very low35.7Very low242 Ų242168.8 Ų168.8100%1.24184%0.84SS**  trans-137.10138.7-60.7-174.6000107.8

Retrieved 396 of 396 residues in 753.6 ms (Link to these results)

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