A0A077ZJM9_TRITR Loading...

Lig chan-Glu bd domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJM9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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
1M72Confident80.1Confident173 Ų17378.7 Ų78.785%0.85239%0.387SS*.  0149.30-77.2-173.8-84.400109.2Y112M1-Y112 CarbonylContact C-O 3.59Å; M1-Y112 VanDerWaalsContact CA-O 3.3Å; M1-Y112 WeakPolarHBondContact CA-O 3.48Å
2W78.4Confident79.9Confident103 Ų10381.3 Ų81.339%0.3940%0.397SS..EExtended strand (participates in β ladder)trans-133126.6-177.7-167.622.9000109.6R4 Y112 I114W2-R4 HydrophobicContact CD2-CG 4.27Å; W2-R4 VanDerWaalsContact CE2-NE 3.29Å; W2-R4 VanDerWaalsContact CZ2-NE 3.34Å; W2-Y112 PolarHBondContact N-O 2.79Å; W2-Y112 PolarHBondContact O-N 3.45Å; W2-I114 HydrophobicContact CB-CD1 3.81Å; W2-I114 HydrophobicContact CB-CG1 4.28Å; W2-I114 HydrophobicContact CD2-CD1 4.11Å; W2-I114 HydrophobicContact CE3-CD1 3.74Å; W2-I114 HydrophobicContact CG-CD1 4.23Å
3I85.1Confident79.4Confident104 Ų10479 Ų7953%0.53339%0.385SS..EExtended strand (participates in β ladder)trans-108.6131-178.6-58.1168.4000107.9L109 I111I3-L109 HydrophobicContact CG2-CB 4.48Å; I3-L109 HydrophobicContact CG2-CD1 4.36Å; I3-I111 HydrophobicContact CG1-CG1 4.29Å; I3-I111 HydrophobicContact CG1-CG2 4.17Å
4R82.9Confident78.9Confident46 Ų4674.2 Ų74.217%0.17436%0.362CS..EExtended strand (participates in β ladder)trans-140.8143.6-179.3-73.3-62.5-162.1126.3-5.6111.7W2 M33 E36 N110 Y112W2-R4 HydrophobicContact CD2-CG 4.27Å; W2-R4 VanDerWaalsContact CE2-NE 3.29Å; W2-R4 VanDerWaalsContact CZ2-NE 3.34Å; R4-M33 PolarHBondContact NH2-SD 2.93Å; R4-E36 IonicContact NH1-OE1 2.7Å; R4-E36 PolarHBondContact NH1-OE1 2.96Å; R4-E36 VanDerWaalsContact NH1-OE1 3.07Å; R4-E36 IonicContact NH1-OE2 2.73Å; R4-N110 PolarHBondContact N-O 2.77Å; R4-N110 PolarHBondContact O-N 3.25Å; R4-Y112 HydrophobicContact CB-CE2 4.29Å
5P86.4Confident78.9Confident33 Ų3375.5 Ų75.521%0.21437%0.372CS..EExtended strand (participates in β ladder)trans-65.5139.7168.131.7-35.2000110L37 F92 I107 H108 L109P5-L37 HydrophobicContact CB-CD1 3.82Å; P5-L37 HydrophobicContact CB-CD2 4.31Å; P5-L37 HydrophobicContact CB-CG 4.02Å; P5-L37 HydrophobicContact CG-CD1 3.75Å; P5-L37 HydrophobicContact CG-CG 3.94Å; P5-F92 HydrophobicContact CB-CD1 3.84Å; P5-F92 HydrophobicContact CB-CE1 3.68Å; P5-F92 HydrophobicContact CG-CE1 3.98Å; P5-F92 HydrophobicContact CG-CZ 4.49Å; P5-I107 HydrophobicContact CB-CG2 3.76Å; P5-H108 CarbonylContact C-O 3.4Å; P5-L109 HydrophobicContact CB-CD2 4.15Å
6H84.2Confident79.1Confident59 Ų5980.1 Ų80.127%0.27338%0.383SS..  trans-110124.2-177.9175.8-87.9000109H108 N110H6-H108 HydrophobicContact CB-CB 4.43Å; H6-H108 PolarHBondContact N-O 2.74Å; H6-N110 HydrophobicContact CB-CB 4.31Å; H6-N110 PolarHBondContact CD2-ND2 3.17Å
7Y82.6Confident79Confident132 Ų13278.8 Ų78.852%0.51838%0.379SS..  trans-73.3128.9176.356.8-90.9000110.2N9 E91Y7-N9 WeakPolarHBondContact CD2-O 3.47Å; Y7-E91 CarbonylContact C-O 3.59Å; Y7-E91 VanDerWaalsContact CA-O 3.28Å; Y7-E91 WeakPolarHBondContact CA-O 3.5Å
8V81.5Confident78.9Confident69 Ų6976.6 Ų76.642%0.41837%0.369SS..SBendtrans-81-37.4173.9179.60000110.3E91 H108V8-E91 PolarHBondContact N-O 3.46Å; V8-H108 HydrophobicContact CG2-CB 4.44Å
9N77.7Confident79.1Confident59 Ų5978.8 Ų78.832%0.31638%0.379SS..SBendtrans-111.2152.6176.6-64.4-55.4000110.6Y7 K89 P90 E91Y7-N9 WeakPolarHBondContact CD2-O 3.47Å; N9-K89 WeakPolarHBondContact ND2-CB 3.44Å; N9-P90 PolarHBondContact ND2-O 3.29Å; N9-E91 PolarHBondContact N-O 3.47Å
10S75.9Confident79.4Confident66 Ų6681.4 Ų81.446%0.46238%0.384SS..  trans-61.8140.7-179.5101.20000110.5E12S10-E12 PolarHBondContact O-N 3.37Å; S10-E12 WeakPolarHBondContact OG-CG 3.44Å; S10-E12 PolarHBondContact OG-N 3.15Å; S10-E12 PolarHBondContact OG-OE1 3.3Å
11M74.7Confident79.6Confident22 Ų2278.1 Ų78.111%0.10837%0.37CS..  trans-89.135.4176.1-79.6-169.1158.100112.2E13 I14 D15 E36 E91 F92M11-E13 PolarHBondContact O-N 3.46Å; M11-I14 HydrophobicContact CB-CB 4.32Å; M11-I14 HydrophobicContact CE-CD1 3.84Å; M11-I14 HydrophobicContact CG-CD1 4.24Å; M11-I14 PolarHBondContact O-N 2.82Å; M11-I14 HydrophobicContact SD-CD1 3.93Å; M11-D15 PolarHBondContact O-N 3.12Å; M11-E36 HydrophobicContact CE-CB 4.5Å; M11-E91 HydrophobicContact CE-CB 3.98Å; M11-E91 HydrophobicContact CE-CG 4.5Å; M11-E91 HydrophobicContact CG-CB 4.28Å; M11-E91 HydrophobicContact CG-CG 4.23Å; M11-F92 HydrophobicContact CE-CD2 3.96Å; M11-F92 HydrophobicContact CE-CE1 4.11Å; M11-F92 HydrophobicContact CE-CE2 3.06Å; M11-F92 HydrophobicContact CE-CZ 3.17Å; M11-F92 HydrophobicContact SD-CZ 4.42Å
12E77.4Confident80Confident109 Ų10976.2 Ų76.251%0.50936%0.357SS..Hα-helixtrans-48.7-35-174.7-94.2169.9-124.500114.2S10 R16S10-E12 PolarHBondContact O-N 3.37Å; S10-E12 WeakPolarHBondContact OG-CG 3.44Å; S10-E12 PolarHBondContact OG-N 3.15Å; S10-E12 PolarHBondContact OG-OE1 3.3Å; E12-R16 WeakPolarHBondContact O-CB 3.34Å; E12-R16 WeakPolarHBondContact O-CG 3.21Å; E12-R16 PolarHBondContact O-N 3.24Å; E12-R16 IonicContact OE2-NH2 3.74Å; E12-R16 PolarHBondContact OE2-NH2 3.07Å
13E72.9Confident80.5Confident52 Ų5277.8 Ų77.824%0.24337%0.369CS..Hα-helixtrans-76.8-40.4-179.8-82.5165.1-179.600113.7M11 D15 R16 I17 Y43 K88M11-E13 PolarHBondContact O-N 3.46Å; E13-D15 VanDerWaalsContact C-N 3.3Å; E13-R16 PolarHBondContact O-N 3.45Å; E13-I17 WeakPolarHBondContact O-CD1 3.26Å; E13-I17 WeakPolarHBondContact O-CG1 3.3Å; E13-I17 PolarHBondContact O-N 3.29Å; E13-Y43 HydrophobicContact CB-CE1 4.32Å; E13-Y43 WeakPolarHBondContact OE2-CE1 3.44Å; E13-Y43 PolarHBondContact OE2-OH 2.68Å; E13-K88 WeakPolarHBondContact OE1-CE 2.97Å; E13-K88 IonicContact OE1-NZ 2.52Å; E13-K88 PolarHBondContact OE1-NZ 3.27Å; E13-K88 WeakPolarHBondContact OE2-CD 3.46Å; E13-K88 WeakPolarHBondContact OE2-CE 3.13Å; E13-K88 IonicContact OE2-NZ 2.68Å; E13-K88 PolarHBondContact OE2-NZ 3.12Å
14I73.5Confident80.7Confident12 Ų1278.2 Ų78.26%0.06237%0.368CS..Hα-helixtrans-67-40.3174.4-62.5174000108.7M11 R16 I17 I18 F31 I39M11-I14 HydrophobicContact CB-CB 4.32Å; M11-I14 HydrophobicContact CE-CD1 3.84Å; M11-I14 HydrophobicContact CG-CD1 4.24Å; M11-I14 PolarHBondContact O-N 2.82Å; M11-I14 HydrophobicContact SD-CD1 3.93Å; I14-R16 PolarHBondContact O-N 3.04Å; I14-I17 PolarHBondContact O-N 3.18Å; I14-I18 HydrophobicContact CG2-CD1 3.8Å; I14-I18 HydrophobicContact CG2-CG1 4.34Å; I14-I18 WeakPolarHBondContact O-CB 3.46Å; I14-I18 VanDerWaalsContact O-CG1 3.24Å; I14-I18 WeakPolarHBondContact O-CG1 3.21Å; I14-I18 PolarHBondContact O-N 2.99Å; I14-F31 HydrophobicContact CG2-CD1 4.34Å; I14-F31 HydrophobicContact CG2-CE1 4.24Å; I14-I39 HydrophobicContact CD1-CG2 4.19Å; I14-I39 HydrophobicContact CG1-CG2 4.41Å; I14-I39 HydrophobicContact CG2-CG2 4.45Å
15D78Confident80.6Confident94 Ų9483.5 Ų83.550%0.50340%0.4SS..Hα-helixtrans-60.8-44.5175.2-70.9-25.7000111.7M11 E13 I17 I18 E19M11-D15 PolarHBondContact O-N 3.12Å; E13-D15 VanDerWaalsContact C-N 3.3Å; D15-I17 PolarHBondContact O-N 3.49Å; D15-I18 PolarHBondContact O-N 3.3Å; D15-E19 WeakPolarHBondContact O-CB 3Å; D15-E19 PolarHBondContact O-N 2.91Å
16R82.2Confident80.3Confident148 Ų14886 Ų8656%0.55841%0.411SS*.Hα-helixtrans-62.7-39.7174.3-76.2174.5-156-174.410.3112.5E12 E13 I14 E19 W20E12-R16 WeakPolarHBondContact O-CB 3.34Å; E12-R16 WeakPolarHBondContact O-CG 3.21Å; E12-R16 PolarHBondContact O-N 3.24Å; E12-R16 IonicContact OE2-NH2 3.74Å; E12-R16 PolarHBondContact OE2-NH2 3.07Å; E13-R16 PolarHBondContact O-N 3.45Å; I14-R16 PolarHBondContact O-N 3.04Å; R16-E19 PolarHBondContact O-N 3.39Å; R16-W20 VanDerWaalsContact O-CB 3.31Å; R16-W20 WeakPolarHBondContact O-CB 3.41Å; R16-W20 PolarHBondContact O-N 2.9Å
17I78.2Confident79.7Confident59 Ų5989 Ų8930%0.30343%0.429SS..Hα-helixtrans-66.5-43.3176.8-67.5163.6000110.2E13 I14 D15 E19 W20 C21 F31 Y43E13-I17 WeakPolarHBondContact O-CD1 3.26Å; E13-I17 WeakPolarHBondContact O-CG1 3.3Å; E13-I17 PolarHBondContact O-N 3.29Å; I14-I17 PolarHBondContact O-N 3.18Å; D15-I17 PolarHBondContact O-N 3.49Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 3.37Å; I17-W20 PolarHBondContact O-N 3.29Å; I17-C21 WeakPolarHBondContact O-CB 3.39Å; I17-C21 PolarHBondContact O-N 3.42Å; I17-C21 PolarHBondContact O-SG 2.93Å; I17-C21 VanDerWaalsContact O-SG 3.33Å; I17-F31 HydrophobicContact CG2-CE1 4.32Å; I17-F31 HydrophobicContact CG2-CE2 4.28Å; I17-F31 HydrophobicContact CG2-CZ 3.55Å; I17-Y43 HydrophobicContact CD1-CD2 4.25Å; I17-Y43 HydrophobicContact CD1-CE2 3.98Å
18I77.3Confident79Confident39 Ų3985.7 Ų85.720%0.242%0.423CS..Hα-helixtrans-60.7-44.1175.9-70.6166.8000110.3I14 D15 C21 K22 F31I14-I18 HydrophobicContact CG2-CD1 3.8Å; I14-I18 HydrophobicContact CG2-CG1 4.34Å; I14-I18 WeakPolarHBondContact O-CB 3.46Å; I14-I18 VanDerWaalsContact O-CG1 3.24Å; I14-I18 WeakPolarHBondContact O-CG1 3.21Å; I14-I18 PolarHBondContact O-N 2.99Å; D15-I18 PolarHBondContact O-N 3.3Å; I18-C21 PolarHBondContact O-N 3.23Å; I18-K22 HydrophobicContact CG2-CD 4.37Å; I18-K22 VanDerWaalsContact O-CG 3.32Å; I18-K22 WeakPolarHBondContact O-CG 3.48Å; I18-K22 PolarHBondContact O-N 3.3Å; I18-F31 HydrophobicContact CD1-CB 4.27Å; I18-F31 HydrophobicContact CD1-CD1 3.85Å; I18-F31 HydrophobicContact CD1-CG 4.15Å; I18-F31 HydrophobicContact CG1-CB 4.1Å; I18-F31 HydrophobicContact CG1-CD1 3.49Å; I18-F31 VanDerWaalsContact CG1-CD1 3.49Å; I18-F31 HydrophobicContact CG1-CD2 4.03Å; I18-F31 HydrophobicContact CG1-CE1 3.88Å; I18-F31 HydrophobicContact CG1-CE2 4.36Å; I18-F31 HydrophobicContact CG1-CG 3.6Å; I18-F31 HydrophobicContact CG1-CZ 4.31Å
19E83Confident78.2Confident119 Ų11985.9 Ų85.956%0.55642%0.422SS*.Hα-helixtrans-64.2-42.4177.7-169.1168.2-153.400111.7D15 R16 I17 K22 Q23D15-E19 WeakPolarHBondContact O-CB 3Å; D15-E19 PolarHBondContact O-N 2.91Å; R16-E19 PolarHBondContact O-N 3.39Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 3.37Å; E19-K22 WeakPolarHBondContact O-CB 3.15Å; E19-K22 PolarHBondContact O-N 3.44Å; E19-Q23 WeakPolarHBondContact O-CG 3.37Å; E19-Q23 PolarHBondContact O-N 3.38Å
20W84.3Confident77.4Confident130 Ų13088.7 Ų88.749%0.49244%0.436SS..Hα-helixtrans-63.8-44.717417774.2000112.5R16 I17 K22 Q23 E24 L26R16-W20 VanDerWaalsContact O-CB 3.31Å; R16-W20 WeakPolarHBondContact O-CB 3.41Å; R16-W20 PolarHBondContact O-N 2.9Å; I17-W20 PolarHBondContact O-N 3.29Å; W20-K22 VanDerWaalsContact C-N 3.25Å; W20-K22 PolarHBondContact O-N 3.18Å; W20-Q23 WeakPolarHBondContact O-CB 3.15Å; W20-Q23 PolarHBondContact O-N 3.27Å; W20-E24 HydrophobicContact CD2-CG 4.31Å; W20-E24 HydrophobicContact CZ2-CG 3.84Å; W20-E24 PolarHBondContact O-N 3.26Å; W20-L26 HydrophobicContact CH2-CD1 3.98Å; W20-L26 HydrophobicContact CZ3-CD1 3.86Å
21C82.8Confident76.7Confident13 Ų1387.7 Ų87.79%0.08842%0.423CS..Hα-helixtrans-59.8-37.2175.6-73.80000112.1I17 I18 E24 N25 L26I17-C21 WeakPolarHBondContact O-CB 3.39Å; I17-C21 PolarHBondContact O-N 3.42Å; I17-C21 PolarHBondContact O-SG 2.93Å; I17-C21 VanDerWaalsContact O-SG 3.33Å; I18-C21 PolarHBondContact O-N 3.23Å; C21-E24 PolarHBondContact O-N 3.07Å; C21-N25 PolarHBondContact O-N 3.09Å; C21-L26 HydrophobicContact CB-CB 4.31Å; C21-L26 PolarHBondContact O-N 2.84Å
22K81.7Confident76Confident132 Ų13293.8 Ų93.857%0.57445%0.445SS*.Hα-helixtrans-65.3-37.6173.5-73.8172.9-177.4175.10112.3I18 E19 W20 T28I18-K22 HydrophobicContact CG2-CD 4.37Å; I18-K22 VanDerWaalsContact O-CG 3.32Å; I18-K22 WeakPolarHBondContact O-CG 3.48Å; I18-K22 PolarHBondContact O-N 3.3Å; E19-K22 WeakPolarHBondContact O-CB 3.15Å; E19-K22 PolarHBondContact O-N 3.44Å; W20-K22 VanDerWaalsContact C-N 3.25Å; W20-K22 PolarHBondContact O-N 3.18Å; K22-T28 HydrophobicContact CG-CG2 4.09Å
23Q88.8Confident74.9Confident136 Ų13695.4 Ų95.464%0.63646%0.455SS*.Hα-helixtrans-67.1-37.6176.7-71.4173.82.600112.1E19 W20 N25E19-Q23 WeakPolarHBondContact O-CG 3.37Å; E19-Q23 PolarHBondContact O-N 3.38Å; W20-Q23 WeakPolarHBondContact O-CB 3.15Å; W20-Q23 PolarHBondContact O-N 3.27Å; Q23-N25 VanDerWaalsContact C-N 3.31Å; Q23-N25 PolarHBondContact O-N 3.35Å
24E88Confident74.4Confident114 Ų11495.6 Ų95.653%0.53347%0.47SS..THydrogen-bonded Turntrans-85.76.3-179.1-65.3-63153.100114.1W20 C21 L26W20-E24 HydrophobicContact CD2-CG 4.31Å; W20-E24 HydrophobicContact CZ2-CG 3.84Å; W20-E24 PolarHBondContact O-N 3.26Å; C21-E24 PolarHBondContact O-N 3.07Å; E24-L26 HydrophobicContact CB-CD1 3.95Å; E24-L26 HydrophobicContact CB-CG 3.97Å; E24-L26 PolarHBondContact O-N 3.41Å; E24-L26 VanDerWaalsContact O-N 3.16Å
25N81Confident74.4Confident156 Ų15699.8 Ų99.883%0.83449%0.488SS*.THydrogen-bonded Turntrans51.533.4-174.5-76.8-35.8000113.6C21 Q23C21-N25 PolarHBondContact O-N 3.09Å; Q23-N25 VanDerWaalsContact C-N 3.31Å; Q23-N25 PolarHBondContact O-N 3.35Å
26L80Confident74.1Confident87 Ų8797.7 Ų97.746%0.45548%0.475SS..  trans-79.4147.6174.5-68.7168.2000109.9W20 C21 E24 T28W20-L26 HydrophobicContact CH2-CD1 3.98Å; W20-L26 HydrophobicContact CZ3-CD1 3.86Å; C21-L26 HydrophobicContact CB-CB 4.31Å; C21-L26 PolarHBondContact O-N 2.84Å; E24-L26 HydrophobicContact CB-CD1 3.95Å; E24-L26 HydrophobicContact CB-CG 3.97Å; E24-L26 PolarHBondContact O-N 3.41Å; E24-L26 VanDerWaalsContact O-N 3.16Å; L26-T28 PolarHBondContact O-N 3.29Å
27D72.6Confident74Confident121 Ų12193.1 Ų93.165%0.64746%0.462SS*.  trans-61.7112.7178.2-171.10.5000110.4D29D27-D29 PolarHBondContact O-N 3.47Å; D27-D29 VanDerWaalsContact OD1-CB 3.29Å; D27-D29 WeakPolarHBondContact OD1-CB 3.11Å; D27-D29 PolarHBondContact OD1-N 3.18Å
28T66.9Low74.1Confident62 Ų6294.8 Ų94.838%0.3847%0.468SS..G310 helixtrans-76.92.7179.353.70000113K22 L26 L30 F31K22-T28 HydrophobicContact CG-CG2 4.09Å; L26-T28 PolarHBondContact O-N 3.29Å; T28-L30 PolarHBondContact O-N 2.04Å; T28-L30 VanDerWaalsContact O-N 3.12Å; T28-F31 PolarHBondContact O-N 3.45Å
29D66Low74.3Confident74 Ų7494.5 Ų94.540%0.39647%0.467SS..G310 helixtrans-59.3-21.9178.2-95.2-16.3000113.6D27 F31 R32D27-D29 PolarHBondContact O-N 3.47Å; D27-D29 VanDerWaalsContact OD1-CB 3.29Å; D27-D29 WeakPolarHBondContact OD1-CB 3.11Å; D27-D29 PolarHBondContact OD1-N 3.18Å; D29-F31 VanDerWaalsContact C-N 3.26Å; D29-F31 PolarHBondContact O-N 3.35Å; D29-R32 WeakPolarHBondContact O-CB 3.25Å; D29-R32 VanDerWaalsContact O-CG 3.27Å; D29-R32 WeakPolarHBondContact O-CG 3.21Å; D29-R32 PolarHBondContact O-N 3.2Å; D29-R32 IonicContact OD1-CZ 3.76Å; D29-R32 IonicContact OD1-NE 3.74Å; D29-R32 PolarHBondContact OD1-NE 3.16Å; D29-R32 IonicContact OD1-NH2 2.81Å; D29-R32 PolarHBondContact OD1-NH2 3.41Å; D29-R32 VanDerWaalsContact OD1-NH2 3.13Å; D29-R32 IonicContact OD2-CZ 3.13Å; D29-R32 IonicContact OD2-NE 3.31Å; D29-R32 IonicContact OD2-NH2 3.39Å; D29-R32 PolarHBondContact OD2-NH2 3.1Å
30L60.1Low74.2Confident118 Ų11888.9 Ų88.962%0.61844%0.441SS*.G310 helixtrans-63.3-34.9172.7-157.683.4000111.9T28 R32T28-L30 PolarHBondContact O-N 2.04Å; T28-L30 VanDerWaalsContact O-N 3.12Å; L30-R32 PolarHBondContact O-N 3.35Å
31F61.6Low74.1Confident44 Ų4487 Ų8719%0.19344%0.436CS..G310 helixtrans-91.528.6178.4-60.1-81.5000112.2I14 I17 I18 T28 D29 M33 I39I14-F31 HydrophobicContact CG2-CD1 4.34Å; I14-F31 HydrophobicContact CG2-CE1 4.24Å; I17-F31 HydrophobicContact CG2-CE1 4.32Å; I17-F31 HydrophobicContact CG2-CE2 4.28Å; I17-F31 HydrophobicContact CG2-CZ 3.55Å; I18-F31 HydrophobicContact CD1-CB 4.27Å; I18-F31 HydrophobicContact CD1-CD1 3.85Å; I18-F31 HydrophobicContact CD1-CG 4.15Å; I18-F31 HydrophobicContact CG1-CB 4.1Å; I18-F31 HydrophobicContact CG1-CD1 3.49Å; I18-F31 VanDerWaalsContact CG1-CD1 3.49Å; I18-F31 HydrophobicContact CG1-CD2 4.03Å; I18-F31 HydrophobicContact CG1-CE1 3.88Å; I18-F31 HydrophobicContact CG1-CE2 4.36Å; I18-F31 HydrophobicContact CG1-CG 3.6Å; I18-F31 HydrophobicContact CG1-CZ 4.31Å; T28-F31 PolarHBondContact O-N 3.45Å; D29-F31 VanDerWaalsContact C-N 3.26Å; D29-F31 PolarHBondContact O-N 3.35Å; F31-M33 PolarHBondContact O-N 2.95Å; F31-I39 HydrophobicContact CD1-CD1 3.71Å; F31-I39 HydrophobicContact CE1-CD1 4.17Å; F31-I39 HydrophobicContact CE1-CG2 4.17Å; F31-I39 HydrophobicContact CG-CD1 4.49Å
32R59.7Low74.1Confident151 Ų15193 Ų9357%0.5746%0.458SS*.  trans-55.6130.3171.6-91.1179-178.2-169.26.3110.4D29 L30 G34 K35D29-R32 WeakPolarHBondContact O-CB 3.25Å; D29-R32 VanDerWaalsContact O-CG 3.27Å; D29-R32 WeakPolarHBondContact O-CG 3.21Å; D29-R32 PolarHBondContact O-N 3.2Å; D29-R32 IonicContact OD1-CZ 3.76Å; D29-R32 IonicContact OD1-NE 3.74Å; D29-R32 PolarHBondContact OD1-NE 3.16Å; D29-R32 IonicContact OD1-NH2 2.81Å; D29-R32 PolarHBondContact OD1-NH2 3.41Å; D29-R32 VanDerWaalsContact OD1-NH2 3.13Å; D29-R32 IonicContact OD2-CZ 3.13Å; D29-R32 IonicContact OD2-NE 3.31Å; D29-R32 IonicContact OD2-NH2 3.39Å; D29-R32 PolarHBondContact OD2-NH2 3.1Å; L30-R32 PolarHBondContact O-N 3.35Å; R32-G34 PolarHBondContact O-N 3.33Å; R32-K35 PolarHBondContact O-N 3.06Å; R32-K35 VanDerWaalsContact O-N 3.12Å
33M54.9Low74.1Confident143 Ų14389.2 Ų89.270%0.70444%0.44SS*.THydrogen-bonded Turntrans-41.3117.8167.9-86.2-101.8-17900111R4 F31 E36R4-M33 PolarHBondContact NH2-SD 2.93Å; F31-M33 PolarHBondContact O-N 2.95Å; M33-E36 WeakPolarHBondContact CA-OE1 3.26Å
34G61.8Low73.6Confident56 Ų5683 Ų8358%0.57741%0.411SS*.THydrogen-bonded Turntrans114-12.4-176.200000115.4R32 E36R32-G34 PolarHBondContact O-N 3.33Å; G34-E36 WeakPolarHBondContact CA-OE2 3.37Å; G34-E36 VanDerWaalsContact N-CD 3.27Å; G34-E36 PolarHBondContact N-OE1 3.39Å; G34-E36 PolarHBondContact N-OE2 3.24Å
35K73Confident73.3Confident100 Ų10080.5 Ų80.544%0.43540%0.4SS..  trans-102.57.5176.4-69.5-167.4172.6-167.80114.5R32 L37 E38 I39R32-K35 PolarHBondContact O-N 3.06Å; R32-K35 VanDerWaalsContact O-N 3.12Å; K35-L37 VanDerWaalsContact C-N 3.29Å; K35-L37 PolarHBondContact O-N 2.84Å; K35-E38 PolarHBondContact O-N 3.12Å; K35-E38 VanDerWaalsContact O-N 3.13Å; K35-I39 HydrophobicContact CB-CD1 4.15Å; K35-I39 HydrophobicContact CB-CG1 4.47Å; K35-I39 VanDerWaalsContact O-CG1 3.31Å; K35-I39 WeakPolarHBondContact O-CG1 3.22Å; K35-I39 PolarHBondContact O-N 3.3Å
36E73.3Confident73.4Confident49 Ų4979.9 Ų79.923%0.22939%0.391CS..Hα-helixtrans-60.2-38.9-172.4-55.487.7165.400112R4 M11 M33 G34 S40 F92R4-E36 IonicContact NH1-OE1 2.7Å; R4-E36 PolarHBondContact NH1-OE1 2.96Å; R4-E36 VanDerWaalsContact NH1-OE1 3.07Å; R4-E36 IonicContact NH1-OE2 2.73Å; M11-E36 HydrophobicContact CE-CB 4.5Å; M33-E36 WeakPolarHBondContact CA-OE1 3.26Å; G34-E36 WeakPolarHBondContact CA-OE2 3.37Å; G34-E36 VanDerWaalsContact N-CD 3.27Å; G34-E36 PolarHBondContact N-OE1 3.39Å; G34-E36 PolarHBondContact N-OE2 3.24Å; E36-S40 WeakPolarHBondContact O-CB 2.98Å; E36-S40 PolarHBondContact O-N 3.48Å; E36-F92 HydrophobicContact CB-CZ 3.87Å
37L79.6Confident73.3Confident53 Ų5377.2 Ų77.228%0.27738%0.379SS..Hα-helixtrans-61.4-47.7175-80.6164.3000112.5P5 K35 S40 F41 F92 I107P5-L37 HydrophobicContact CB-CD1 3.82Å; P5-L37 HydrophobicContact CB-CD2 4.31Å; P5-L37 HydrophobicContact CB-CG 4.02Å; P5-L37 HydrophobicContact CG-CD1 3.75Å; P5-L37 HydrophobicContact CG-CG 3.94Å; K35-L37 VanDerWaalsContact C-N 3.29Å; K35-L37 PolarHBondContact O-N 2.84Å; L37-S40 PolarHBondContact O-N 3.01Å; L37-F41 WeakPolarHBondContact O-CB 3.32Å; L37-F41 PolarHBondContact O-N 2.72Å; L37-F92 HydrophobicContact CB-CE2 4.46Å; L37-F92 HydrophobicContact CD2-CB 4.03Å; L37-F92 HydrophobicContact CD2-CD1 4Å; L37-F92 HydrophobicContact CD2-CD2 3.5Å; L37-F92 VanDerWaalsContact CD2-CD2 3.5Å; L37-F92 HydrophobicContact CD2-CE1 4.31Å; L37-F92 HydrophobicContact CD2-CE2 3.79Å; L37-F92 HydrophobicContact CD2-CG 3.57Å; L37-F92 HydrophobicContact CD2-CZ 4.19Å; L37-F92 HydrophobicContact CG-CD2 4.29Å; L37-F92 HydrophobicContact CG-CE1 4.46Å; L37-F92 HydrophobicContact CG-CE2 4.07Å; L37-F92 HydrophobicContact CG-CZ 4.16Å; L37-I107 HydrophobicContact CD1-CD1 4.21Å; L37-I107 HydrophobicContact CD1-CG2 4.42Å; L37-I107 HydrophobicContact CD2-CD1 3.64Å; L37-I107 HydrophobicContact CD2-CG1 3.81Å; L37-I107 HydrophobicContact CD2-CG2 3.96Å
38E80.9Confident73.6Confident93 Ų9371.6 Ų71.644%0.43535%0.349SS..Hα-helixtrans-65.3-42.2-178.8-176.6177-162.200111K35 F41 Y42K35-E38 PolarHBondContact O-N 3.12Å; K35-E38 VanDerWaalsContact O-N 3.13Å; E38-F41 PolarHBondContact O-N 2.89Å; E38-Y42 HydrophobicContact CG-CD2 3.76Å; E38-Y42 HydrophobicContact CG-CE2 3.36Å; E38-Y42 WeakPolarHBondContact O-CD2 3.24Å; E38-Y42 PolarHBondContact O-N 3.44Å; E38-Y42 WeakPolarHBondContact OE1-CE2 3.31Å
39I79.6Confident74.3Confident34 Ų3471 Ų7117%0.17435%0.345CS..Hα-helixtrans-62.9-46.9176.7-65.3166.7000110.4I14 F31 K35 F41 Y42 Y43I14-I39 HydrophobicContact CD1-CG2 4.19Å; I14-I39 HydrophobicContact CG1-CG2 4.41Å; I14-I39 HydrophobicContact CG2-CG2 4.45Å; F31-I39 HydrophobicContact CD1-CD1 3.71Å; F31-I39 HydrophobicContact CE1-CD1 4.17Å; F31-I39 HydrophobicContact CE1-CG2 4.17Å; F31-I39 HydrophobicContact CG-CD1 4.49Å; K35-I39 HydrophobicContact CB-CD1 4.15Å; K35-I39 HydrophobicContact CB-CG1 4.47Å; K35-I39 VanDerWaalsContact O-CG1 3.31Å; K35-I39 WeakPolarHBondContact O-CG1 3.22Å; K35-I39 PolarHBondContact O-N 3.3Å; I39-F41 VanDerWaalsContact C-N 3.31Å; I39-F41 PolarHBondContact O-N 3.16Å; I39-Y42 PolarHBondContact O-N 3.43Å; I39-Y43 VanDerWaalsContact O-CB 3.24Å; I39-Y43 WeakPolarHBondContact O-CB 3.3Å; I39-Y43 PolarHBondContact O-N 3.33Å
40S80.9Confident75Confident1 Ų169.4 Ų69.41%0.00734%0.343CS..Hα-helixtrans-60-43.1177.9-153.70000111.6E36 L37 Y43 R44 E91E36-S40 WeakPolarHBondContact O-CB 2.98Å; E36-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-N 3.01Å; S40-Y43 PolarHBondContact O-N 2.85Å; S40-R44 VanDerWaalsContact O-CB 3.3Å; S40-R44 WeakPolarHBondContact O-CB 3.15Å; S40-R44 PolarHBondContact O-N 2.68Å; S40-E91 WeakPolarHBondContact OG-CB 2.93Å; S40-E91 PolarHBondContact OG-OE2 3.03Å
41F83.1Confident75.6Confident89 Ų8964.6 Ų64.639%0.3932%0.32SS..Hα-helixtrans-61.1-50.6177.9178.3-103.7000112.4L37 E38 I39 Y43 R44 I45L37-F41 WeakPolarHBondContact O-CB 3.32Å; L37-F41 PolarHBondContact O-N 2.72Å; E38-F41 PolarHBondContact O-N 2.89Å; I39-F41 VanDerWaalsContact C-N 3.31Å; I39-F41 PolarHBondContact O-N 3.16Å; F41-Y43 PolarHBondContact O-N 2.52Å; F41-R44 WeakPolarHBondContact O-CB 3.12Å; F41-R44 PolarHBondContact O-N 3.37Å; F41-I45 HydrophobicContact CD1-CD1 3.95Å; F41-I45 HydrophobicContact CE1-CD1 3.37Å; F41-I45 HydrophobicContact CE1-CG1 4.47Å; F41-I45 HydrophobicContact CE2-CD1 4.26Å; F41-I45 HydrophobicContact CZ-CD1 3.56Å; F41-I45 HydrophobicContact CZ-CG1 4.44Å; F41-I45 PolarHBondContact O-N 2.94Å
42Y83Confident76.3Confident139 Ų13966.2 Ų66.255%0.54533%0.327SS..Hα-helixtrans-66.7-38.7178.4-72.6-58.6000112.6E38 I39 R44 I45 F46E38-Y42 HydrophobicContact CG-CD2 3.76Å; E38-Y42 HydrophobicContact CG-CE2 3.36Å; E38-Y42 WeakPolarHBondContact O-CD2 3.24Å; E38-Y42 PolarHBondContact O-N 3.44Å; E38-Y42 WeakPolarHBondContact OE1-CE2 3.31Å; I39-Y42 PolarHBondContact O-N 3.43Å; Y42-R44 PolarHBondContact O-N 3.31Å; Y42-I45 PolarHBondContact O-N 3.27Å; Y42-F46 WeakPolarHBondContact O-CB 3.36Å; Y42-F46 PolarHBondContact O-N 3.26Å
43Y81.1Confident77.3Confident53 Ų5366.5 Ų66.521%0.20833%0.334CS..Hα-helixtrans-58.7-41.1175-175.5-97.9000111.1E13 I17 I39 S40 F41 F46 S47E13-Y43 HydrophobicContact CB-CE1 4.32Å; E13-Y43 WeakPolarHBondContact OE2-CE1 3.44Å; E13-Y43 PolarHBondContact OE2-OH 2.68Å; I17-Y43 HydrophobicContact CD1-CD2 4.25Å; I17-Y43 HydrophobicContact CD1-CE2 3.98Å; I39-Y43 VanDerWaalsContact O-CB 3.24Å; I39-Y43 WeakPolarHBondContact O-CB 3.3Å; I39-Y43 PolarHBondContact O-N 3.33Å; S40-Y43 PolarHBondContact O-N 2.85Å; F41-Y43 PolarHBondContact O-N 2.52Å; Y43-F46 WeakPolarHBondContact O-CB 3.49Å; Y43-F46 PolarHBondContact O-N 3.44Å; Y43-S47 PolarHBondContact O-N 3.5Å
44R79.5Confident78.3Confident7 Ų763.5 Ų63.53%0.02633%0.332CS..Hα-helixtrans-66.6-42.7177.4-171.762.559.2147.4142.7112.6S40 F41 Y42 F46 S47 V48 L70 K88 K89 E91S40-R44 VanDerWaalsContact O-CB 3.3Å; S40-R44 WeakPolarHBondContact O-CB 3.15Å; S40-R44 PolarHBondContact O-N 2.68Å; F41-R44 WeakPolarHBondContact O-CB 3.12Å; F41-R44 PolarHBondContact O-N 3.37Å; Y42-R44 PolarHBondContact O-N 3.31Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 2.9Å; R44-S47 PolarHBondContact O-N 3.43Å; R44-S47 PolarHBondContact O-OG 2.9Å; R44-V48 WeakPolarHBondContact O-CG2 3.47Å; R44-V48 PolarHBondContact O-N 3.2Å; R44-V48 VanDerWaalsContact O-N 3.09Å; R44-L70 HydrophobicContact CG-CD2 3.31Å; R44-K88 PolarHBondContact NH2-O 2.88Å; R44-K89 PolarHBondContact NH1-O 3.03Å; R44-K89 PolarHBondContact NH2-O 3.18Å; R44-E91 IonicContact CZ-OE1 3.61Å; R44-E91 IonicContact CZ-OE2 3.83Å; R44-E91 IonicContact NE-OE2 3.07Å; R44-E91 IonicContact NH1-OE1 3.49Å; R44-E91 PolarHBondContact NH1-OE1 2.92Å; R44-E91 IonicContact NH1-OE2 3.79Å; R44-E91 PolarHBondContact NH1-OE2 2.84Å
45I81Confident78.8Confident60 Ų6062.2 Ų62.231%0.30831%0.313SS..Hα-helixtrans-58.1-47.1173-70.4174.1000110F41 Y42 S47 V48 V49 F66F41-I45 HydrophobicContact CD1-CD1 3.95Å; F41-I45 HydrophobicContact CE1-CD1 3.37Å; F41-I45 HydrophobicContact CE1-CG1 4.47Å; F41-I45 HydrophobicContact CE2-CD1 4.26Å; F41-I45 HydrophobicContact CZ-CD1 3.56Å; F41-I45 HydrophobicContact CZ-CG1 4.44Å; F41-I45 PolarHBondContact O-N 2.94Å; Y42-I45 PolarHBondContact O-N 3.27Å; I45-S47 PolarHBondContact O-N 3.41Å; I45-V48 PolarHBondContact O-N 3.45Å; I45-V49 WeakPolarHBondContact O-CG2 3.37Å; I45-V49 PolarHBondContact O-N 2.96Å; I45-F66 HydrophobicContact CG1-CE1 4.31Å; I45-F66 HydrophobicContact CG2-CE1 4.47Å; I45-F66 HydrophobicContact CG2-CZ 4.16Å
46F82.4Confident78.4Confident143 Ų14363.6 Ų63.663%0.62733%0.333SS*.Hα-helixtrans-61.6-42.8178.4-178.7-96.9000112.1Y42 Y43 R44 V48 V49 A50Y42-F46 WeakPolarHBondContact O-CB 3.36Å; Y42-F46 PolarHBondContact O-N 3.26Å; Y43-F46 WeakPolarHBondContact O-CB 3.49Å; Y43-F46 PolarHBondContact O-N 3.44Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 2.9Å; F46-V48 VanDerWaalsContact C-N 3.34Å; F46-V48 PolarHBondContact O-N 3.02Å; F46-V49 PolarHBondContact O-N 2.97Å; F46-A50 HydrophobicContact CE1-CB 4.43Å; F46-A50 VanDerWaalsContact O-CB 3.3Å; F46-A50 WeakPolarHBondContact O-CB 3.36Å; F46-A50 PolarHBondContact O-N 3.41Å
47S78.5Confident78.1Confident31 Ų3165.8 Ų65.822%0.21735%0.346CS..Hα-helixtrans-63.1-39.5179.673.10000112.1Y43 R44 I45 A51Y43-S47 PolarHBondContact O-N 3.5Å; R44-S47 PolarHBondContact O-N 3.43Å; R44-S47 PolarHBondContact O-OG 2.9Å; I45-S47 PolarHBondContact O-N 3.41Å; S47-A51 WeakPolarHBondContact O-CB 3.21Å; S47-A51 PolarHBondContact O-N 2.89Å
48V78.1Confident77.2Confident3 Ų372.5 Ų72.52%0.01837%0.373CS..Hα-helixtrans-66.9-42.4176.4175.70000111.2R44 I45 F46 A51 K52 L65 F66 C69R44-V48 WeakPolarHBondContact O-CG2 3.47Å; R44-V48 PolarHBondContact O-N 3.2Å; R44-V48 VanDerWaalsContact O-N 3.09Å; I45-V48 PolarHBondContact O-N 3.45Å; F46-V48 VanDerWaalsContact C-N 3.34Å; F46-V48 PolarHBondContact O-N 3.02Å; V48-A51 PolarHBondContact O-N 2.87Å; V48-K52 PolarHBondContact O-N 3.06Å; V48-L65 HydrophobicContact CG1-CB 4.34Å; V48-F66 HydrophobicContact CB-CD1 4.11Å; V48-F66 HydrophobicContact CB-CE1 3.76Å; V48-F66 HydrophobicContact CB-CZ 4.25Å; V48-F66 HydrophobicContact CG1-CD1 3.75Å; V48-F66 HydrophobicContact CG1-CD2 4.39Å; V48-F66 HydrophobicContact CG1-CE1 3.75Å; V48-F66 HydrophobicContact CG1-CE2 4.39Å; V48-F66 HydrophobicContact CG1-CG 4.06Å; V48-F66 HydrophobicContact CG1-CZ 4.07Å; V48-F66 HydrophobicContact CG2-CD1 4.19Å; V48-F66 HydrophobicContact CG2-CE1 4.15Å; V48-C69 HydrophobicContact CG2-CB 3.76Å
49V82.2Confident76.8Confident49 Ų4974.9 Ų74.930%0.29739%0.388SS..Hα-helixtrans-64.9-45.5177.1172.60000111I45 F46 A51 K52 H53 F66I45-V49 WeakPolarHBondContact O-CG2 3.37Å; I45-V49 PolarHBondContact O-N 2.96Å; F46-V49 PolarHBondContact O-N 2.97Å; V49-A51 VanDerWaalsContact C-N 3.32Å; V49-A51 PolarHBondContact O-N 2.6Å; V49-K52 WeakPolarHBondContact O-CB 3.44Å; V49-K52 PolarHBondContact O-N 2.69Å; V49-H53 PolarHBondContact O-CD2 2.87Å; V49-H53 VanDerWaalsContact O-CD2 3.25Å; V49-H53 PolarHBondContact O-N 2.78Å; V49-H53 VanDerWaalsContact O-N 3.12Å; V49-F66 HydrophobicContact CG2-CZ 4.3Å
50A80.2Confident76.4Confident42 Ų4275.3 Ų75.335%0.34739%0.391SS..Hα-helixtrans-61.2-41.5176.200000111.6F46 K52 H53 A54F46-A50 HydrophobicContact CE1-CB 4.43Å; F46-A50 VanDerWaalsContact O-CB 3.3Å; F46-A50 WeakPolarHBondContact O-CB 3.36Å; F46-A50 PolarHBondContact O-N 3.41Å; A50-K52 PolarHBondContact O-N 3.05Å; A50-H53 PolarHBondContact O-N 3.43Å; A50-A54 PolarHBondContact O-N 3.31Å
51A74.3Confident76.2Confident16 Ų1681.5 Ų81.513%0.13242%0.419CS..Hα-helixtrans-61.5-44.6176.100000110.8S47 V48 V49 H53 A54 V55 L85S47-A51 WeakPolarHBondContact O-CB 3.21Å; S47-A51 PolarHBondContact O-N 2.89Å; V48-A51 PolarHBondContact O-N 2.87Å; V49-A51 VanDerWaalsContact C-N 3.32Å; V49-A51 PolarHBondContact O-N 2.6Å; A51-H53 VanDerWaalsContact C-N 3.28Å; A51-H53 PolarHBondContact O-N 2.82Å; A51-A54 WeakPolarHBondContact O-CB 3.4Å; A51-A54 PolarHBondContact O-N 3.43Å; A51-V55 WeakPolarHBondContact O-CG2 3.37Å; A51-V55 PolarHBondContact O-N 3.03Å; A51-L85 HydrophobicContact CB-CB 4.37Å; A51-L85 HydrophobicContact CB-CD2 3.61Å; A51-L85 HydrophobicContact CB-CG 4.06Å; A51-L85 VanDerWaalsContact O-CD2 3.26Å; A51-L85 WeakPolarHBondContact O-CD2 3.44Å
52K76.3Confident75.8Confident78 Ų7880.2 Ų80.234%0.33942%0.416SS..Hα-helixtrans-55.9-41.8173.8-175.5177.6177.1179.60112.6V48 V49 A50 A54 V55 L62 L65V48-K52 PolarHBondContact O-N 3.06Å; V49-K52 WeakPolarHBondContact O-CB 3.44Å; V49-K52 PolarHBondContact O-N 2.69Å; A50-K52 PolarHBondContact O-N 3.05Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.03Å; K52-V55 PolarHBondContact O-N 3.32Å; K52-L62 HydrophobicContact CD-CB 4.32Å; K52-L62 HydrophobicContact CD-CD1 3.6Å; K52-L65 HydrophobicContact CB-CD1 3.97Å; K52-L65 HydrophobicContact CD-CD1 4.05Å; K52-L65 HydrophobicContact CG-CD1 3.83Å
53H79Confident75.4Confident157 Ų15776.9 Ų76.973%0.72741%0.413SS*.Hα-helixtrans-69.1-25.8178.1-80.9-72.7000113.7V49 A50 A51V49-H53 PolarHBondContact O-CD2 2.87Å; V49-H53 VanDerWaalsContact O-CD2 3.25Å; V49-H53 PolarHBondContact O-N 2.78Å; V49-H53 VanDerWaalsContact O-N 3.12Å; A50-H53 PolarHBondContact O-N 3.43Å; A51-H53 VanDerWaalsContact C-N 3.28Å; A51-H53 PolarHBondContact O-N 2.82Å
54A76.8Confident75Confident80 Ų8078 Ų7866%0.66143%0.426SS*.Hα-helixtrans-77.2-21.7176.400000113.2A50 A51 K52 P56A50-A54 PolarHBondContact O-N 3.31Å; A51-A54 WeakPolarHBondContact O-CB 3.4Å; A51-A54 PolarHBondContact O-N 3.43Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.03Å; A54-P56 WeakPolarHBondContact O-CD 3.43Å
55V72.2Confident74.8Confident30 Ų3077.9 Ų77.918%0.18243%0.426CS..  trans-80.1126177.4-163.30000110.1A51 K52 N57 L85A51-V55 WeakPolarHBondContact O-CG2 3.37Å; A51-V55 PolarHBondContact O-N 3.03Å; K52-V55 PolarHBondContact O-N 3.32Å; V55-N57 HydrophobicContact CG1-CB 3.88Å; V55-N57 PolarHBondContact O-N 2.85Å; V55-N57 VanDerWaalsContact O-N 3.15Å; V55-L85 HydrophobicContact CG2-CD1 3.93Å; V55-L85 HydrophobicContact CG2-CD2 3.13Å; V55-L85 HydrophobicContact CG2-CG 4.18Å
56P65.5Low74.5Confident129 Ų12977.3 Ų77.384%0.83842%0.421SS*.SBendtrans-68.9-9.8175.725.9-32.6000113.7A54A54-P56 WeakPolarHBondContact O-CD 3.43Å
57N65.1Low74Confident94 Ų9473 Ų7350%0.50341%0.406SS..  trans-94.7106.1-174.1-154.21.2000110.9V55 D59V55-N57 HydrophobicContact CG1-CB 3.88Å; V55-N57 PolarHBondContact O-N 2.85Å; V55-N57 VanDerWaalsContact O-N 3.15Å; N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.05Å
58K62.4Low73.7Confident194 Ų19475 Ų7584%0.84341%0.409SS*.THydrogen-bonded Turntrans-75.4-7.3-171.5-73.2-177.8177.8178.10114.8I60K58-I60 PolarHBondContact O-N 3.46Å
59D70.8Confident73.4Confident143 Ų14375.6 Ų75.677%0.76541%0.413SS*.THydrogen-bonded Turntrans-87.8-1.8-168.1-63.9-19.1000114.3N57 Q61N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.05Å; D59-Q61 PolarHBondContact O-N 2.87Å
60I71.2Confident72.9Confident43 Ų4374.5 Ų74.522%0.22141%0.405CS..  trans-85.1117.7-179.4-46.2177.7000110.4K58 L65 V82K58-I60 PolarHBondContact O-N 3.46Å; I60-L65 HydrophobicContact CB-CD1 4Å; I60-L65 HydrophobicContact CB-CG 4.39Å; I60-L65 HydrophobicContact CG2-CD1 3.66Å; I60-L65 HydrophobicContact CG2-CD2 4.12Å; I60-L65 HydrophobicContact CG2-CG 3.53Å; I60-V82 HydrophobicContact CD1-CG2 4.43Å
61Q76.6Confident72.2Confident131 Ų13173 Ų7361%0.61239%0.393SS*.  trans-62.4139173.5-68.5-173.1-1.800110.8D59 S63 T64 L65D59-Q61 PolarHBondContact O-N 2.87Å; Q61-S63 VanDerWaalsContact C-N 3.28Å; Q61-S63 PolarHBondContact O-N 3.12Å; Q61-T64 PolarHBondContact O-N 3.13Å; Q61-L65 PolarHBondContact O-N 2.83Å
62L76.1Confident71.6Confident63 Ų6376.9 Ų76.933%0.3341%0.411SS..Hα-helixtrans-63.9-35.9-177.3-174.864.7000111.5K52 L65 F66K52-L62 HydrophobicContact CD-CB 4.32Å; K52-L62 HydrophobicContact CD-CD1 3.6Å; L62-L65 PolarHBondContact O-N 3.01Å; L62-F66 HydrophobicContact CD1-CD2 4.09Å; L62-F66 HydrophobicContact CD1-CE2 3.72Å; L62-F66 HydrophobicContact CD2-CD2 4.4Å; L62-F66 HydrophobicContact CD2-CE2 3.78Å; L62-F66 HydrophobicContact CG-CD2 3.69Å; L62-F66 HydrophobicContact CG-CE2 3.47Å; L62-F66 VanDerWaalsContact CG-CE2 3.47Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 2.94Å
63S74.5Confident70.6Confident69 Ų6978.2 Ų78.248%0.48342%0.421SS..Hα-helixtrans-59.6-45.5174.648.60000112Q61 L65 F66 V67Q61-S63 VanDerWaalsContact C-N 3.28Å; Q61-S63 PolarHBondContact O-N 3.12Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.31Å; S63-F66 PolarHBondContact O-N 2.95Å; S63-V67 WeakPolarHBondContact O-CG2 3.45Å; S63-V67 PolarHBondContact O-N 3.39Å
64T73.3Confident69.3Low76 Ų7679.4 Ų79.447%0.46643%0.427SS..Hα-helixtrans-63.7-37.9177.8-460000111.7Q61 R68Q61-T64 PolarHBondContact O-N 3.13Å; T64-R68 VanDerWaalsContact O-CB 3.26Å; T64-R68 WeakPolarHBondContact O-CB 3.32Å; T64-R68 PolarHBondContact O-N 3.31Å
65L74.3Confident67.9Low5 Ų582.8 Ų82.83%0.02643%0.429CS..Hα-helixtrans-66.3-43.1173.7-79.8158.5000112.2V48 K52 I60 Q61 L62 S63 R68 C69V48-L65 HydrophobicContact CG1-CB 4.34Å; K52-L65 HydrophobicContact CB-CD1 3.97Å; K52-L65 HydrophobicContact CD-CD1 4.05Å; K52-L65 HydrophobicContact CG-CD1 3.83Å; I60-L65 HydrophobicContact CB-CD1 4Å; I60-L65 HydrophobicContact CB-CG 4.39Å; I60-L65 HydrophobicContact CG2-CD1 3.66Å; I60-L65 HydrophobicContact CG2-CD2 4.12Å; I60-L65 HydrophobicContact CG2-CG 3.53Å; Q61-L65 PolarHBondContact O-N 2.83Å; L62-L65 PolarHBondContact O-N 3.01Å; S63-L65 VanDerWaalsContact C-N 3.31Å; S63-L65 PolarHBondContact O-N 3.31Å; L65-R68 PolarHBondContact O-N 3.26Å; L65-C69 WeakPolarHBondContact O-CB 3.48Å; L65-C69 PolarHBondContact O-N 3.2Å
66F74.6Confident66.7Low48 Ų4889.1 Ų89.121%0.21146%0.462CS..Hα-helixtrans-60.8-50176.7-89.3-64.6000111.9I45 V48 V49 L62 S63 R68 C69 L70I45-F66 HydrophobicContact CG1-CE1 4.31Å; I45-F66 HydrophobicContact CG2-CE1 4.47Å; I45-F66 HydrophobicContact CG2-CZ 4.16Å; V48-F66 HydrophobicContact CB-CD1 4.11Å; V48-F66 HydrophobicContact CB-CE1 3.76Å; V48-F66 HydrophobicContact CB-CZ 4.25Å; V48-F66 HydrophobicContact CG1-CD1 3.75Å; V48-F66 HydrophobicContact CG1-CD2 4.39Å; V48-F66 HydrophobicContact CG1-CE1 3.75Å; V48-F66 HydrophobicContact CG1-CE2 4.39Å; V48-F66 HydrophobicContact CG1-CG 4.06Å; V48-F66 HydrophobicContact CG1-CZ 4.07Å; V48-F66 HydrophobicContact CG2-CD1 4.19Å; V48-F66 HydrophobicContact CG2-CE1 4.15Å; V49-F66 HydrophobicContact CG2-CZ 4.3Å; L62-F66 HydrophobicContact CD1-CD2 4.09Å; L62-F66 HydrophobicContact CD1-CE2 3.72Å; L62-F66 HydrophobicContact CD2-CD2 4.4Å; L62-F66 HydrophobicContact CD2-CE2 3.78Å; L62-F66 HydrophobicContact CG-CD2 3.69Å; L62-F66 HydrophobicContact CG-CE2 3.47Å; L62-F66 VanDerWaalsContact CG-CE2 3.47Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 2.94Å; S63-F66 PolarHBondContact O-N 2.95Å; F66-R68 VanDerWaalsContact C-N 3.27Å; F66-R68 PolarHBondContact O-N 3.42Å; F66-C69 PolarHBondContact O-N 3.48Å; F66-L70 HydrophobicContact CD1-CD1 3.81Å; F66-L70 HydrophobicContact CD1-CG 4.38Å; F66-L70 WeakPolarHBondContact O-CB 3.29Å; F66-L70 VanDerWaalsContact O-CG 3.25Å; F66-L70 WeakPolarHBondContact O-CG 3.24Å; F66-L70 PolarHBondContact O-N 3.48Å
67V72.5Confident65.8Low51 Ų5185.1 Ų85.131%0.30944%0.437SS..Hα-helixtrans-58.3-44.1177.6175.20000110.2S63 S71 F103S63-V67 WeakPolarHBondContact O-CG2 3.45Å; S63-V67 PolarHBondContact O-N 3.39Å; V67-S71 WeakPolarHBondContact O-CB 3.47Å; V67-S71 PolarHBondContact O-N 2.99Å; V67-S71 PolarHBondContact O-OG 2.97Å; V67-F103 HydrophobicContact CB-CZ 4.27Å; V67-F103 HydrophobicContact CG1-CE1 4.35Å; V67-F103 HydrophobicContact CG1-CZ 3.82Å; V67-F103 HydrophobicContact CG2-CE2 3.81Å; V67-F103 HydrophobicContact CG2-CZ 3.73Å
68R71.3Confident64.9Low75 Ų7587.1 Ų87.128%0.28345%0.453SS..Hα-helixtrans-72.3-34.4-177.4-169.2168.8-177.7156.6-0.5114.4T64 L65 F66 S77T64-R68 VanDerWaalsContact O-CB 3.26Å; T64-R68 WeakPolarHBondContact O-CB 3.32Å; T64-R68 PolarHBondContact O-N 3.31Å; L65-R68 PolarHBondContact O-N 3.26Å; F66-R68 VanDerWaalsContact C-N 3.27Å; F66-R68 PolarHBondContact O-N 3.42Å; R68-S77 PolarHBondContact NH1-OG 2.89Å; R68-S77 VanDerWaalsContact NH2-CB 3.27Å; R68-S77 PolarHBondContact NH2-OG 3.38Å; R68-S77 VanDerWaalsContact NH2-OG 3.12Å
69C71.7Confident64.4Low15 Ų1583.2 Ų83.210%0.10144%0.438CS..Hα-helixtrans-84.6-26179.2-76.10000113.4V48 L65 F66 C86V48-C69 HydrophobicContact CG2-CB 3.76Å; L65-C69 WeakPolarHBondContact O-CB 3.48Å; L65-C69 PolarHBondContact O-N 3.2Å; F66-C69 PolarHBondContact O-N 3.48Å; C69-C86 WeakPolarHBondContact CA-SG 3.31Å; C69-C86 HydrophobicContact CB-CB 3.74Å; C69-C86 WeakPolarHBondContact CB-SG 3.33Å; C69-C86 WeakPolarHBondContact SG-CB 3.18Å; C69-C86 CovalentContact SG-SG 2.04Å; C69-C86 PolarHBondContact SG-SG 3.35Å
70L71.2Confident63.6Low25 Ų2581 Ų8113%0.13143%0.432CS..Hα-helixtrans-95.3-39.6-177.2-62.9-179.9000112.6R44 F66 Y95R44-L70 HydrophobicContact CG-CD2 3.31Å; F66-L70 HydrophobicContact CD1-CD1 3.81Å; F66-L70 HydrophobicContact CD1-CG 4.38Å; F66-L70 WeakPolarHBondContact O-CB 3.29Å; F66-L70 VanDerWaalsContact O-CG 3.25Å; F66-L70 WeakPolarHBondContact O-CG 3.24Å; F66-L70 PolarHBondContact O-N 3.48Å; L70-Y95 HydrophobicContact CB-CD2 4.02Å; L70-Y95 HydrophobicContact CB-CG 4.1Å; L70-Y95 HydrophobicContact CD2-CD2 4.22Å; L70-Y95 HydrophobicContact CD2-CE2 4.08Å; L70-Y95 WeakPolarHBondContact O-CB 3.47Å
71S67.5Low62.8Low12 Ų1282.1 Ų82.18%0.08445%0.447CS..BIsolated β-bridgetrans-79.1139.7177.973.70000110.9V67 L73V67-S71 WeakPolarHBondContact O-CB 3.47Å; V67-S71 PolarHBondContact O-N 2.99Å; V67-S71 PolarHBondContact O-OG 2.97Å; S71-L73 PolarHBondContact O-N 2.95Å
72D60.5Low61.8Low97 Ų9776.4 Ų76.452%0.51942%0.421SS..  trans-73.419.3175-120.3-0.9000112.1Q74 P94D72-Q74 VanDerWaalsContact C-N 3.29Å; D72-Q74 PolarHBondContact O-N 2.96Å; D72-P94 HydrophobicContact CB-CB 4.09Å
73L54.8Low60.8Low106 Ų10677.5 Ų77.556%0.55543%0.43SS*.  trans-70.289.9178.6-71.7173.2000109.2S71 E75S71-L73 PolarHBondContact O-N 2.95Å; L73-E75 PolarHBondContact O-N 2.99Å
74Q52Low60.2Low181 Ų18180 Ų8085%0.84644%0.435SS*.  trans-66.163166.7-157.3176-300109.5D72 N76D72-Q74 VanDerWaalsContact C-N 3.29Å; D72-Q74 PolarHBondContact O-N 2.96Å; Q74-N76 PolarHBondContact O-N 3.13Å
75E48.5Very low59.6Low151 Ų15179 Ų7971%0.70643%0.426SS*.  trans-71125.6168.5-80.8-170.9167.900108.2L73 S77L73-E75 PolarHBondContact O-N 2.99Å; E75-S77 PolarHBondContact O-N 3.27Å
76N46.7Very low59.2Low163 Ų16380.2 Ų80.287%0.87243%0.434SS*.  trans-62.147.7177.7-75.7-31.4000113.6Q74Q74-N76 PolarHBondContact O-N 3.13Å
77S45.3Very low58.8Low46 Ų4684.4 Ų84.432%0.32245%0.453SS..  trans-90.3118.1-175.7171.70000110.3R68 E75 Q79R68-S77 PolarHBondContact NH1-OG 2.89Å; R68-S77 VanDerWaalsContact NH2-CB 3.27Å; R68-S77 PolarHBondContact NH2-OG 3.38Å; R68-S77 VanDerWaalsContact NH2-OG 3.12Å; E75-S77 PolarHBondContact O-N 3.27Å; S77-Q79 PolarHBondContact O-N 3.39Å
78T46.9Very low58.6Low136 Ų13686.4 Ų86.483%0.83446%0.457SS*.  trans-6920.2-170.743.10000116.3P80T78-P80 WeakPolarHBondContact O-CD 3.42Å
79Q53Low58.6Low111 Ų11188.9 Ų88.952%0.51947%0.47SS..  trans-100.894175.6-78.2-172-12.800111.2S77 A81 V82 T83S77-Q79 PolarHBondContact O-N 3.39Å; Q79-A81 PolarHBondContact O-N 3.39Å; Q79-A81 VanDerWaalsContact O-N 3.16Å; Q79-V82 HydrophobicContact CB-CG2 4.4Å; Q79-V82 PolarHBondContact O-N 3.18Å; Q79-T83 PolarHBondContact O-OG1 2.81Å; Q79-T83 VanDerWaalsContact O-OG1 3.1Å
80P53.4Low58.8Low98 Ų9888.5 Ų88.564%0.63647%0.467SS*.Hα-helixtrans-60-29.5-176.824-34.2000112.7T78 V82 T83 E84T78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-V82 VanDerWaalsContact C-N 3.31Å; P80-V82 PolarHBondContact O-N 2.94Å; P80-T83 PolarHBondContact O-N 2.67Å; P80-T83 PolarHBondContact O-OG1 2.78Å; P80-E84 WeakPolarHBondContact O-CG 3.27Å; P80-E84 PolarHBondContact O-N 3.42Å
81A54.1Low59.2Low65 Ų6588 Ų8854%0.53746%0.464SS..Hα-helixtrans-62.2-35.7-179.400000112.8Q79 L85Q79-A81 PolarHBondContact O-N 3.39Å; Q79-A81 VanDerWaalsContact O-N 3.16Å; A81-L85 WeakPolarHBondContact O-CD1 3.45Å
82V56.1Low59.9Low12 Ų1287.6 Ų87.67%0.07346%0.461CS..Hα-helixtrans-84.8-31.2-176.6-174.90000111.5I60 Q79 P80 E84 L85I60-V82 HydrophobicContact CD1-CG2 4.43Å; Q79-V82 HydrophobicContact CB-CG2 4.4Å; Q79-V82 PolarHBondContact O-N 3.18Å; P80-V82 VanDerWaalsContact C-N 3.31Å; P80-V82 PolarHBondContact O-N 2.94Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 2.72Å; V82-L85 WeakPolarHBondContact O-CB 3.44Å; V82-L85 PolarHBondContact O-N 3.02Å
83T55.9Low60.8Low85 Ų8583 Ų8352%0.52144%0.437SS..Hα-helixtrans-67.7-29.1174.20.80000112.2Q79 P80 L85Q79-T83 PolarHBondContact O-OG1 2.81Å; Q79-T83 VanDerWaalsContact O-OG1 3.1Å; P80-T83 PolarHBondContact O-N 2.67Å; P80-T83 PolarHBondContact O-OG1 2.78Å; T83-L85 VanDerWaalsContact C-N 3.32Å
84E60.3Low61.9Low123 Ų12379.8 Ų79.858%0.57542%0.422SS*.Hα-helixtrans-71.6-27.2172.1-67.9-148.512700113.7P80 V82 K87P80-E84 WeakPolarHBondContact O-CG 3.27Å; P80-E84 PolarHBondContact O-N 3.42Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 2.72Å; E84-K87 VanDerWaalsContact CD-NZ 3.29Å; E84-K87 WeakPolarHBondContact O-CD 3.43Å; E84-K87 WeakPolarHBondContact O-CG 3.49Å; E84-K87 IonicContact OE1-NZ 2.68Å; E84-K87 PolarHBondContact OE1-NZ 2.79Å
85L60.5Low63.2Low55 Ų5572.1 Ų72.129%0.28839%0.386SS..Hα-helixtrans-71.1-36.9-178.9-101.586.9000113.4A51 V55 A81 V82 T83A51-L85 HydrophobicContact CB-CB 4.37Å; A51-L85 HydrophobicContact CB-CD2 3.61Å; A51-L85 HydrophobicContact CB-CG 4.06Å; A51-L85 VanDerWaalsContact O-CD2 3.26Å; A51-L85 WeakPolarHBondContact O-CD2 3.44Å; V55-L85 HydrophobicContact CG2-CD1 3.93Å; V55-L85 HydrophobicContact CG2-CD2 3.13Å; V55-L85 HydrophobicContact CG2-CG 4.18Å; A81-L85 WeakPolarHBondContact O-CD1 3.45Å; V82-L85 WeakPolarHBondContact O-CB 3.44Å; V82-L85 PolarHBondContact O-N 3.02Å; T83-L85 VanDerWaalsContact C-N 3.32Å
86C66.9Low64.6Low30 Ų3067.8 Ų67.820%0.20337%0.369CS..THydrogen-bonded Turntrans-101.632-177.1-48.60000112.5C69 K88C69-C86 WeakPolarHBondContact CA-SG 3.31Å; C69-C86 HydrophobicContact CB-CB 3.74Å; C69-C86 WeakPolarHBondContact CB-SG 3.33Å; C69-C86 WeakPolarHBondContact SG-CB 3.18Å; C69-C86 CovalentContact SG-SG 2.04Å; C69-C86 PolarHBondContact SG-SG 3.35Å; C86-K88 PolarHBondContact O-N 2.81Å
87K65.8Low66.1Low136 Ų13664.8 Ų64.859%0.59135%0.348SS*.  trans-61.7-25.3-174.7-85.5173.8174167.30114.3E84E84-K87 VanDerWaalsContact CD-NZ 3.29Å; E84-K87 WeakPolarHBondContact O-CD 3.43Å; E84-K87 WeakPolarHBondContact O-CG 3.49Å; E84-K87 IonicContact OE1-NZ 2.68Å; E84-K87 PolarHBondContact OE1-NZ 2.79Å
88K68.3Low67.5Low92 Ų9267.6 Ų67.640%0.436%0.359SS..PPolyproline II helixtrans-84.9120.4-176.1-65.9-179.3-172.4168.40110.4E13 R44 C86E13-K88 WeakPolarHBondContact OE1-CE 2.97Å; E13-K88 IonicContact OE1-NZ 2.52Å; E13-K88 PolarHBondContact OE1-NZ 3.27Å; E13-K88 WeakPolarHBondContact OE2-CD 3.46Å; E13-K88 WeakPolarHBondContact OE2-CE 3.13Å; E13-K88 IonicContact OE2-NZ 2.68Å; E13-K88 PolarHBondContact OE2-NZ 3.12Å; R44-K88 PolarHBondContact NH2-O 2.88Å; C86-K88 PolarHBondContact O-N 2.81Å
89K71.5Confident68.9Low127 Ų12766.1 Ų66.155%0.55235%0.346SS*.PPolyproline II helixtrans-78.1150.5172.9-68.9-169.9173.9-162.20111.2N9 R44N9-K89 WeakPolarHBondContact ND2-CB 3.44Å; R44-K89 PolarHBondContact NH1-O 3.03Å; R44-K89 PolarHBondContact NH2-O 3.18Å
90P75.9Confident69.7Low8 Ų867.1 Ų67.15%0.05236%0.355CS..PPolyproline II helixtrans-63.6144.2-179.325.1-34.5000111.8N9 G93 Y95N9-P90 PolarHBondContact ND2-O 3.29Å; P90-G93 WeakPolarHBondContact CB-O 3.37Å; P90-G93 WeakPolarHBondContact CG-O 3.38Å; P90-Y95 HydrophobicContact CB-CD2 4.25Å; P90-Y95 HydrophobicContact CB-CE2 4.02Å; P90-Y95 HydrophobicContact CG-CD2 4.41Å
91E80.1Confident70.6Confident15 Ų1569.2 Ų69.27%0.0736%0.361CS..SBendtrans-75.8-36.5-167.9-63.873.4-166.200112.2Y7 V8 N9 M11 S40 R44Y7-E91 CarbonylContact C-O 3.59Å; Y7-E91 VanDerWaalsContact CA-O 3.28Å; Y7-E91 WeakPolarHBondContact CA-O 3.5Å; V8-E91 PolarHBondContact N-O 3.46Å; N9-E91 PolarHBondContact N-O 3.47Å; M11-E91 HydrophobicContact CE-CB 3.98Å; M11-E91 HydrophobicContact CE-CG 4.5Å; M11-E91 HydrophobicContact CG-CB 4.28Å; M11-E91 HydrophobicContact CG-CG 4.23Å; S40-E91 WeakPolarHBondContact OG-CB 2.93Å; S40-E91 PolarHBondContact OG-OE2 3.03Å; R44-E91 IonicContact CZ-OE1 3.61Å; R44-E91 IonicContact CZ-OE2 3.83Å; R44-E91 IonicContact NE-OE2 3.07Å; R44-E91 IonicContact NH1-OE1 3.49Å; R44-E91 PolarHBondContact NH1-OE1 2.92Å; R44-E91 IonicContact NH1-OE2 3.79Å; R44-E91 PolarHBondContact NH1-OE2 2.84Å
92F80.7Confident71.6Confident3 Ų370.8 Ų70.81%0.01336%0.359CS..SBendtrans-100.1-12.8-176.3-69.8-78.6000115.1P5 M11 E36 L37 E105 I107 H108P5-F92 HydrophobicContact CB-CD1 3.84Å; P5-F92 HydrophobicContact CB-CE1 3.68Å; P5-F92 HydrophobicContact CG-CE1 3.98Å; P5-F92 HydrophobicContact CG-CZ 4.49Å; M11-F92 HydrophobicContact CE-CD2 3.96Å; M11-F92 HydrophobicContact CE-CE1 4.11Å; M11-F92 HydrophobicContact CE-CE2 3.06Å; M11-F92 HydrophobicContact CE-CZ 3.17Å; M11-F92 HydrophobicContact SD-CZ 4.42Å; E36-F92 HydrophobicContact CB-CZ 3.87Å; L37-F92 HydrophobicContact CB-CE2 4.46Å; L37-F92 HydrophobicContact CD2-CB 4.03Å; L37-F92 HydrophobicContact CD2-CD1 4Å; L37-F92 HydrophobicContact CD2-CD2 3.5Å; L37-F92 VanDerWaalsContact CD2-CD2 3.5Å; L37-F92 HydrophobicContact CD2-CE1 4.31Å; L37-F92 HydrophobicContact CD2-CE2 3.79Å; L37-F92 HydrophobicContact CD2-CG 3.57Å; L37-F92 HydrophobicContact CD2-CZ 4.19Å; L37-F92 HydrophobicContact CG-CD2 4.29Å; L37-F92 HydrophobicContact CG-CE1 4.46Å; L37-F92 HydrophobicContact CG-CE2 4.07Å; L37-F92 HydrophobicContact CG-CZ 4.16Å; F92-E105 WeakPolarHBondContact CB-OE1 3.44Å; F92-E105 PolarHBondContact N-OE1 3.3Å; F92-I107 HydrophobicContact CB-CG1 4.42Å; F92-I107 HydrophobicContact CB-CG2 4.45Å; F92-H108 PolarHBondContact O-N 3.04Å
93G79.9Confident72.6Confident1 Ų172.7 Ų72.71%0.0137%0.367CS..  trans152.8167.8175.100000111.4P90 E105 D106P90-G93 WeakPolarHBondContact CB-O 3.37Å; P90-G93 WeakPolarHBondContact CG-O 3.38Å; G93-E105 WeakPolarHBondContact O-CG 3.38Å; G93-D106 WeakPolarHBondContact CA-O 2.81Å
94P77.9Confident73.9Confident37 Ų3771 Ų7124%0.2435%0.352CS..PPolyproline II helixtrans-66.1150.7179.129.1-34.3000111.7D72 D106D72-P94 HydrophobicContact CB-CB 4.09Å; P94-D106 PolarHBondContact O-N 2.78Å
95Y79.7Confident74.9Confident21 Ų2166.3 Ų66.38%0.08233%0.33CS..EExtended strand (participates in β ladder)trans-80.5122.5167.3-71.3-101.9000109.9L70 P90 F103 F104 E105L70-Y95 HydrophobicContact CB-CD2 4.02Å; L70-Y95 HydrophobicContact CB-CG 4.1Å; L70-Y95 HydrophobicContact CD2-CD2 4.22Å; L70-Y95 HydrophobicContact CD2-CE2 4.08Å; L70-Y95 WeakPolarHBondContact O-CB 3.47Å; P90-Y95 HydrophobicContact CB-CD2 4.25Å; P90-Y95 HydrophobicContact CB-CE2 4.02Å; P90-Y95 HydrophobicContact CG-CD2 4.41Å; Y95-F103 HydrophobicContact CD1-CB 4.3Å; Y95-F104 CarbonylContact C-O 3.46Å; Y95-F104 WeakPolarHBondContact CA-O 3.21Å; Y95-E105 HydrophobicContact CD1-CB 4.07Å; Y95-E105 HydrophobicContact CD2-CG 4.37Å; Y95-E105 HydrophobicContact CE1-CB 3.77Å; Y95-E105 HydrophobicContact CE1-CG 4.39Å; Y95-E105 HydrophobicContact CE2-CB 4.28Å; Y95-E105 HydrophobicContact CE2-CG 3.99Å; Y95-E105 HydrophobicContact CG-CB 4.46Å; Y95-E105 VanDerWaalsContact CZ-OE2 3.25Å; Y95-E105 PolarHBondContact OH-OE2 3.03Å
96V78.1Confident76Confident60 Ų6064.7 Ų64.736%0.36432%0.322SS..EExtended strand (participates in β ladder)trans-102.4138.9178.4-176.30000109F103 F104 D106V96-F103 WeakPolarHBondContact O-CA 3.36Å; V96-F104 HydrophobicContact CB-CD2 4.42Å; V96-F104 HydrophobicContact CB-CE1 3.96Å; V96-F104 HydrophobicContact CB-CE2 3.71Å; V96-F104 HydrophobicContact CB-CZ 3.51Å; V96-F104 HydrophobicContact CG1-CE1 4.08Å; V96-F104 HydrophobicContact CG1-CE2 4.37Å; V96-F104 HydrophobicContact CG1-CZ 3.7Å; V96-F104 HydrophobicContact CG2-CE2 4.19Å; V96-F104 HydrophobicContact CG2-CZ 4.33Å; V96-F104 PolarHBondContact N-O 3.43Å; V96-F104 WeakPolarHBondContact O-CD1 3.1Å; V96-F104 PolarHBondContact O-N 2.92Å; V96-D106 HydrophobicContact CG2-CB 4.36Å
97K77.2Confident77Confident100 Ų10065.4 Ų65.444%0.43532%0.323SS..EExtended strand (participates in β ladder)trans-83.4117.4-180-171.3176.6-176.5172.30109.8N99 N100 F103K97-N99 WeakPolarHBondContact CE-O 3.35Å; K97-N100 VanDerWaalsContact CE-C 3.4Å; K97-N100 VanDerWaalsContact CE-CA 3.5Å; K97-N100 WeakPolarHBondContact CE-O 3.19Å; K97-N100 PolarHBondContact NZ-O 3.07Å; K97-F103 HydrophobicContact CB-CD1 4.01Å; K97-F103 HydrophobicContact CB-CE1 3.77Å; K97-F103 HydrophobicContact CD-CE1 4.17Å; K97-F103 HydrophobicContact CD-CZ 4.2Å; K97-F103 HydrophobicContact CG-CD1 4.34Å; K97-F103 HydrophobicContact CG-CE1 3.88Å; K97-F103 HydrophobicContact CG-CZ 4.16Å
98L75.5Confident78Confident105 Ų10561.6 Ų61.655%0.5531%0.307SS..EExtended strand (participates in β ladder)trans-83.9-51.6176-171.174000111.5I102 F104L98-I102 HydrophobicContact CB-CG2 4.33Å; L98-I102 HydrophobicContact CD2-CG2 4.36Å; L98-I102 PolarHBondContact N-O 2.77Å; L98-F104 HydrophobicContact CB-CD1 3.92Å; L98-F104 HydrophobicContact CB-CE1 3.98Å; L98-F104 HydrophobicContact CD1-CD1 4.39Å; L98-F104 HydrophobicContact CD1-CE1 3.95Å
99N76.9Confident79.1Confident104 Ų10459.4 Ų59.456%0.55630%0.3SS*.EExtended strand (participates in β ladder)trans-143.7169.4-179.5-82.5-29.9000109.4K97 D101 I102K97-N99 WeakPolarHBondContact CE-O 3.35Å; N99-D101 PolarHBondContact O-N 3.39Å; N99-I102 PolarHBondContact O-N 2.72Å
100N68.8Low79.9Confident133 Ų13353.5 Ų53.571%0.71127%0.274SS*.THydrogen-bonded Turntrans-38.8-31.2-165-82.7-12.8000117.5K97K97-N100 VanDerWaalsContact CE-C 3.4Å; K97-N100 VanDerWaalsContact CE-CA 3.5Å; K97-N100 WeakPolarHBondContact CE-O 3.19Å; K97-N100 PolarHBondContact NZ-O 3.07Å
101D72.4Confident80.5Confident141 Ų14154.4 Ų54.475%0.75428%0.278SS*.THydrogen-bonded Turntrans-135.69.8175-58.4-56.1000115.1N99N99-D101 PolarHBondContact O-N 3.39Å
102I76.3Confident80.6Confident98 Ų9856.5 Ų56.550%0.50329%0.286SS..EExtended strand (participates in β ladder)trans-104121.7-179.6-60174.3000109.3L98 N99L98-I102 HydrophobicContact CB-CG2 4.33Å; L98-I102 HydrophobicContact CD2-CG2 4.36Å; L98-I102 PolarHBondContact N-O 2.77Å; N99-I102 PolarHBondContact O-N 2.72Å
103F77.1Confident80.5Confident52 Ų5258.8 Ų58.823%0.22830%0.297CS..EExtended strand (participates in β ladder)trans-116.8141.7176.1-61.2-93.6000109.5V67 Y95 V96 K97V67-F103 HydrophobicContact CB-CZ 4.27Å; V67-F103 HydrophobicContact CG1-CE1 4.35Å; V67-F103 HydrophobicContact CG1-CZ 3.82Å; V67-F103 HydrophobicContact CG2-CE2 3.81Å; V67-F103 HydrophobicContact CG2-CZ 3.73Å; Y95-F103 HydrophobicContact CD1-CB 4.3Å; V96-F103 WeakPolarHBondContact O-CA 3.36Å; K97-F103 HydrophobicContact CB-CD1 4.01Å; K97-F103 HydrophobicContact CB-CE1 3.77Å; K97-F103 HydrophobicContact CD-CE1 4.17Å; K97-F103 HydrophobicContact CD-CZ 4.2Å; K97-F103 HydrophobicContact CG-CD1 4.34Å; K97-F103 HydrophobicContact CG-CE1 3.88Å; K97-F103 HydrophobicContact CG-CZ 4.16Å
104F82.1Confident80.4Confident49 Ų4961.7 Ų61.722%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-125.5153.216965-91.6000109Y95 V96 L98 E131Y95-F104 CarbonylContact C-O 3.46Å; Y95-F104 WeakPolarHBondContact CA-O 3.21Å; V96-F104 HydrophobicContact CB-CD2 4.42Å; V96-F104 HydrophobicContact CB-CE1 3.96Å; V96-F104 HydrophobicContact CB-CE2 3.71Å; V96-F104 HydrophobicContact CB-CZ 3.51Å; V96-F104 HydrophobicContact CG1-CE1 4.08Å; V96-F104 HydrophobicContact CG1-CE2 4.37Å; V96-F104 HydrophobicContact CG1-CZ 3.7Å; V96-F104 HydrophobicContact CG2-CE2 4.19Å; V96-F104 HydrophobicContact CG2-CZ 4.33Å; V96-F104 PolarHBondContact N-O 3.43Å; V96-F104 WeakPolarHBondContact O-CD1 3.1Å; V96-F104 PolarHBondContact O-N 2.92Å; L98-F104 HydrophobicContact CB-CD1 3.92Å; L98-F104 HydrophobicContact CB-CE1 3.98Å; L98-F104 HydrophobicContact CD1-CD1 4.39Å; L98-F104 HydrophobicContact CD1-CE1 3.95Å; F104-E131 WeakPolarHBondContact CD2-OE2 3.29Å; F104-E131 VanDerWaalsContact CE2-CD 3.47Å; F104-E131 WeakPolarHBondContact CE2-OE2 3.42Å; F104-E131 VanDerWaalsContact CZ-OE1 3.25Å; F104-E131 WeakPolarHBondContact CZ-OE1 3.38Å; F104-E131 WeakPolarHBondContact CZ-OE2 3.38Å
105E81.9Confident80.2Confident26 Ų2664.7 Ų64.712%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-88.9126.4174.4-165.6168.7179.500108.9F92 G93 Y95 I107F92-E105 WeakPolarHBondContact CB-OE1 3.44Å; F92-E105 PolarHBondContact N-OE1 3.3Å; G93-E105 WeakPolarHBondContact O-CG 3.38Å; Y95-E105 HydrophobicContact CD1-CB 4.07Å; Y95-E105 HydrophobicContact CD2-CG 4.37Å; Y95-E105 HydrophobicContact CE1-CB 3.77Å; Y95-E105 HydrophobicContact CE1-CG 4.39Å; Y95-E105 HydrophobicContact CE2-CB 4.28Å; Y95-E105 HydrophobicContact CE2-CG 3.99Å; Y95-E105 HydrophobicContact CG-CB 4.46Å; Y95-E105 VanDerWaalsContact CZ-OE2 3.25Å; Y95-E105 PolarHBondContact OH-OE2 3.03Å; E105-I107 VanDerWaalsContact C-N 3.27Å; E105-I107 HydrophobicContact CB-CG1 4.17Å; E105-I107 HydrophobicContact CG-CG1 4.24Å; E105-I107 PolarHBondContact O-N 2.82Å
106D83Confident79.8Confident20 Ų2068.3 Ų68.311%0.10735%0.345CS..  trans-73.584.1173-177.210.9000109.1G93 P94 V96 H108 E131G93-D106 WeakPolarHBondContact CA-O 2.81Å; P94-D106 PolarHBondContact O-N 2.78Å; V96-D106 HydrophobicContact CG2-CB 4.36Å; D106-H108 PolarHBondContact O-CD2 3.19Å; D106-H108 PolarHBondContact O-N 3.33Å; D106-E131 WeakPolarHBondContact OD1-CB 3.17Å; D106-E131 PolarHBondContact OD1-N 3.43Å
107I87.8Confident79.3Confident46 Ų4666.7 Ų66.724%0.23634%0.338CS..  trans-76.7112.2-175.8-61.7160.4000109.4P5 L37 F92 E105 L109 W129P5-I107 HydrophobicContact CB-CG2 3.76Å; L37-I107 HydrophobicContact CD1-CD1 4.21Å; L37-I107 HydrophobicContact CD1-CG2 4.42Å; L37-I107 HydrophobicContact CD2-CD1 3.64Å; L37-I107 HydrophobicContact CD2-CG1 3.81Å; L37-I107 HydrophobicContact CD2-CG2 3.96Å; F92-I107 HydrophobicContact CB-CG1 4.42Å; F92-I107 HydrophobicContact CB-CG2 4.45Å; E105-I107 VanDerWaalsContact C-N 3.27Å; E105-I107 HydrophobicContact CB-CG1 4.17Å; E105-I107 HydrophobicContact CG-CG1 4.24Å; E105-I107 PolarHBondContact O-N 2.82Å; I107-L109 HydrophobicContact CG2-CD2 4.04Å; I107-L109 PolarHBondContact O-N 3.41Å; I107-W129 WeakPolarHBondContact O-CZ3 3.46Å
108H87.9Confident79Confident55 Ų5568.7 Ų68.726%0.25536%0.361SS..  trans-70.1128172.3-69.6-161.6000109.9P5 H6 V8 F92 D106 W129P5-H108 CarbonylContact C-O 3.4Å; H6-H108 HydrophobicContact CB-CB 4.43Å; H6-H108 PolarHBondContact N-O 2.74Å; V8-H108 HydrophobicContact CG2-CB 4.44Å; F92-H108 PolarHBondContact O-N 3.04Å; D106-H108 PolarHBondContact O-CD2 3.19Å; D106-H108 PolarHBondContact O-N 3.33Å; H108-W129 CarbonylContact C-O 3.59Å; H108-W129 WeakPolarHBondContact CA-O 3.43Å
109L89.9Confident78.8Confident46 Ų4670.6 Ų70.624%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-108.3139.5176.1-58.8174.3000110.7I3 P5 I107 K128 W129I3-L109 HydrophobicContact CG2-CB 4.48Å; I3-L109 HydrophobicContact CG2-CD1 4.36Å; P5-L109 HydrophobicContact CB-CD2 4.15Å; I107-L109 HydrophobicContact CG2-CD2 4.04Å; I107-L109 PolarHBondContact O-N 3.41Å; L109-K128 CarbonylContact O-C 3.6Å; L109-K128 WeakPolarHBondContact O-CA 3.25Å; L109-W129 HydrophobicContact CB-CB 4.17Å; L109-W129 HydrophobicContact CB-CE3 4.02Å; L109-W129 HydrophobicContact CD1-CD2 4.07Å; L109-W129 HydrophobicContact CD1-CE3 3.47Å; L109-W129 VanDerWaalsContact CD1-CE3 3.47Å; L109-W129 HydrophobicContact CD1-CZ3 3.91Å; L109-W129 HydrophobicContact CG-CD2 4.49Å; L109-W129 HydrophobicContact CG-CE3 3.58Å; L109-W129 HydrophobicContact CG-CZ3 4.08Å; L109-W129 PolarHBondContact N-O 2.82Å; L109-W129 PolarHBondContact O-N 2.84Å
110N88.6Confident78.7Confident4 Ų467.7 Ų67.72%0.02137%0.365CS..EExtended strand (participates in β ladder)trans-107.9131.4168-80.9-3.2000109.8R4 H6 Y112 L125 K128R4-N110 PolarHBondContact N-O 2.77Å; R4-N110 PolarHBondContact O-N 3.25Å; H6-N110 HydrophobicContact CB-CB 4.31Å; H6-N110 PolarHBondContact CD2-ND2 3.17Å; N110-Y112 HydrophobicContact CB-CD2 4.2Å; N110-Y112 HydrophobicContact CB-CE2 3.4Å; N110-Y112 VanDerWaalsContact CB-CE2 3.4Å; N110-Y112 PolarHBondContact ND2-OH 3.18Å; N110-L125 HydrophobicContact CB-CD1 3.51Å; N110-K128 WeakPolarHBondContact OD1-CG 3.28Å
111I88Confident79Confident26 Ų2669.4 Ų69.413%0.13337%0.366CS..EExtended strand (participates in β ladder)trans-102.1121.6172.6-48.2-172.6000107.4I3 V126 A127 I135I3-I111 HydrophobicContact CG1-CG1 4.29Å; I3-I111 HydrophobicContact CG1-CG2 4.17Å; I111-V126 HydrophobicContact CB-CG2 3.99Å; I111-V126 HydrophobicContact CG2-CG2 3.67Å; I111-V126 WeakPolarHBondContact O-CG2 3.4Å; I111-V126 PolarHBondContact O-N 3Å; I111-A127 HydrophobicContact CB-CB 4.04Å; I111-A127 HydrophobicContact CD1-CB 4.04Å; I111-A127 HydrophobicContact CG1-CB 4.15Å; I111-A127 PolarHBondContact N-O 3.47Å; I111-A127 PolarHBondContact O-N 2.7Å; I111-I135 HydrophobicContact CD1-CG2 4.47Å
112Y82.5Confident79.2Confident60 Ų6066 Ų6624%0.23535%0.345CS..EExtended strand (participates in β ladder)trans-108.9142178.3-60.5-85.6000111.2M1 W2 R4 N110 I123 Y124 L125M1-Y112 CarbonylContact C-O 3.59Å; M1-Y112 VanDerWaalsContact CA-O 3.3Å; M1-Y112 WeakPolarHBondContact CA-O 3.48Å; W2-Y112 PolarHBondContact N-O 2.79Å; W2-Y112 PolarHBondContact O-N 3.45Å; R4-Y112 HydrophobicContact CB-CE2 4.29Å; N110-Y112 HydrophobicContact CB-CD2 4.2Å; N110-Y112 HydrophobicContact CB-CE2 3.4Å; N110-Y112 VanDerWaalsContact CB-CE2 3.4Å; N110-Y112 PolarHBondContact ND2-OH 3.18Å; Y112-I123 HydrophobicContact CD1-CG2 3.77Å; Y112-I123 HydrophobicContact CG-CG2 4Å; Y112-Y124 CarbonylContact C-O 3.57Å; Y112-Y124 WeakPolarHBondContact CA-O 3.4Å; Y112-L125 HydrophobicContact CD1-CB 4.11Å; Y112-L125 HydrophobicContact CD1-CD1 4.07Å; Y112-L125 HydrophobicContact CE1-CB 4Å; Y112-L125 HydrophobicContact CE1-CD1 3.74Å; Y112-L125 HydrophobicContact CE1-CG 4.46Å
113H80.1Confident79.1Confident51 Ų5165.9 Ų65.924%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-102.4122.1166.6-172.4-105.9000108.5Y124 V126H113-Y124 PolarHBondContact N-O 2.97Å; H113-Y124 PolarHBondContact O-N 2.76Å; H113-V126 HydrophobicContact CB-CG1 3.31Å; H113-V126 HydrophobicContact CB-CG2 4.42Å
114I76.6Confident79.3Confident61 Ų6167 Ų6731%0.31335%0.348SS..EExtended strand (participates in β ladder)trans-98.9113.5178.8-55.8175.2000106.2W2 V116 E122 I123W2-I114 HydrophobicContact CB-CD1 3.81Å; W2-I114 HydrophobicContact CB-CG1 4.28Å; W2-I114 HydrophobicContact CD2-CD1 4.11Å; W2-I114 HydrophobicContact CE3-CD1 3.74Å; W2-I114 HydrophobicContact CG-CD1 4.23Å; I114-V116 HydrophobicContact CG2-CG2 4Å; I114-E122 CarbonylContact C-O 3.49Å; I114-E122 WeakPolarHBondContact CA-O 3.1Å; I114-I123 HydrophobicContact CG1-CG1 4.33Å; I114-I123 HydrophobicContact CG1-CG2 4.42Å; I114-I123 HydrophobicContact CG2-CG1 4.47Å
115F73.3Confident79.4Confident100 Ų10067.4 Ų67.444%0.43935%0.352SS..EExtended strand (participates in β ladder)trans-92.4123.2171.2-170.9-108.6000108.5A117 K121 E122 Y124F115-A117 HydrophobicContact CD1-CB 4.25Å; F115-A117 HydrophobicContact CE1-CB 3.82Å; F115-K121 WeakPolarHBondContact O-CA 3.42Å; F115-E122 HydrophobicContact CB-CB 4.47Å; F115-E122 PolarHBondContact N-O 2.78Å; F115-E122 PolarHBondContact O-N 2.96Å; F115-Y124 HydrophobicContact CB-CE2 4.38Å
116V72.8Confident79.6Confident98 Ų9867.1 Ų67.159%0.59435%0.352SS*.EExtended strand (participates in β ladder)trans-111.196.5177.2-176.10000107.3I114 K121I114-V116 HydrophobicContact CG2-CG2 4Å; V116-K121 HydrophobicContact CG1-CG 4.37Å
117A66.7Low79.9Confident25 Ų2566.4 Ų66.421%0.20735%0.349CS..  trans-84.5162.6165.300000109.5F115 V119 S120F115-A117 HydrophobicContact CD1-CB 4.25Å; F115-A117 HydrophobicContact CE1-CB 3.82Å; A117-V119 PolarHBondContact O-N 2.83Å; A117-V119 VanDerWaalsContact O-N 3.11Å; A117-S120 WeakPolarHBondContact CB-O 3.32Å; A117-S120 PolarHBondContact N-O 2.95Å
118P69.8Low80.1Confident142 Ų14268.7 Ų68.792%0.92236%0.357SS*.SBendtrans-58-24.7174.2-2231.8000113.5
119V72.5Confident80.2Confident146 Ų14670.2 Ų70.289%0.88536%0.36SS*.SBendtrans-109.5-34.1-172.2-173.30000112.8A117A117-V119 PolarHBondContact O-N 2.83Å; A117-V119 VanDerWaalsContact O-N 3.11Å
120S74.6Confident80Confident43 Ų4369.3 Ų69.330%0.30136%0.356SS..  trans-133.7146-177.263.10000112A117 E122A117-S120 WeakPolarHBondContact CB-O 3.32Å; A117-S120 PolarHBondContact N-O 2.95Å; S120-E122 PolarHBondContact OG-OE1 3.33Å; S120-E122 VanDerWaalsContact OG-OE1 3.08Å
121K75Confident79.8Confident168 Ų16874 Ų7473%0.7338%0.378SS*.EExtended strand (participates in β ladder)trans-106.3117.2164.7-67.4-178-177.6178.30107F115 V116F115-K121 WeakPolarHBondContact O-CA 3.42Å; V116-K121 HydrophobicContact CG1-CG 4.37Å
122E75.9Confident79.5Confident69 Ų6976.6 Ų76.632%0.32240%0.403SS..EExtended strand (participates in β ladder)trans-116.7139.3-179.5-69.3168.1-16400109.3I114 F115 S120 Y124I114-E122 CarbonylContact C-O 3.49Å; I114-E122 WeakPolarHBondContact CA-O 3.1Å; F115-E122 HydrophobicContact CB-CB 4.47Å; F115-E122 PolarHBondContact N-O 2.78Å; F115-E122 PolarHBondContact O-N 2.96Å; S120-E122 PolarHBondContact OG-OE1 3.33Å; S120-E122 VanDerWaalsContact OG-OE1 3.08Å; E122-Y124 HydrophobicContact CB-CD2 4.3Å; E122-Y124 HydrophobicContact CB-CE2 3.54Å; E122-Y124 WeakPolarHBondContact OE2-CE2 3.36Å; E122-Y124 PolarHBondContact OE2-OH 3.46Å
123I76.1Confident79.6Confident96 Ų9679.4 Ų79.449%0.49242%0.422SS..EExtended strand (participates in β ladder)trans-121.5117.5-177.7-53.8177.9000107.5Y112 I114Y112-I123 HydrophobicContact CD1-CG2 3.77Å; Y112-I123 HydrophobicContact CG-CG2 4Å; I114-I123 HydrophobicContact CG1-CG1 4.33Å; I114-I123 HydrophobicContact CG1-CG2 4.42Å; I114-I123 HydrophobicContact CG2-CG1 4.47Å
124Y80.7Confident80Confident75 Ų7578.1 Ų78.129%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-112.7133.1-178.5-64.6-86000110.8Y112 H113 F115 E122 V126 L143Y112-Y124 CarbonylContact C-O 3.57Å; Y112-Y124 WeakPolarHBondContact CA-O 3.4Å; H113-Y124 PolarHBondContact N-O 2.97Å; H113-Y124 PolarHBondContact O-N 2.76Å; F115-Y124 HydrophobicContact CB-CE2 4.38Å; E122-Y124 HydrophobicContact CB-CD2 4.3Å; E122-Y124 HydrophobicContact CB-CE2 3.54Å; E122-Y124 WeakPolarHBondContact OE2-CE2 3.36Å; E122-Y124 PolarHBondContact OE2-OH 3.46Å; Y124-V126 PolarHBondContact O-N 3.27Å; Y124-L143 HydrophobicContact CD1-CD2 3.99Å; Y124-L143 HydrophobicContact CG-CD2 3.69Å
125L83.6Confident80.6Confident59 Ų5980.2 Ų80.231%0.30943%0.433SS..EExtended strand (participates in β ladder)trans-75.4114.4171.5-179.969000109.3N110 Y112 F138N110-L125 HydrophobicContact CB-CD1 3.51Å; Y112-L125 HydrophobicContact CD1-CB 4.11Å; Y112-L125 HydrophobicContact CD1-CD1 4.07Å; Y112-L125 HydrophobicContact CE1-CB 4Å; Y112-L125 HydrophobicContact CE1-CD1 3.74Å; Y112-L125 HydrophobicContact CE1-CG 4.46Å; L125-F138 HydrophobicContact CD2-CD2 4.17Å; L125-F138 HydrophobicContact CD2-CE2 3.93Å; L125-F138 HydrophobicContact CG-CD2 4.08Å; L125-F138 HydrophobicContact CG-CE2 4.2Å
126V86.7Confident81.3Confident19 Ų1978.4 Ų78.412%0.11543%0.43CS..EExtended strand (participates in β ladder)trans-102.7-28.3-175-60.30000113.4I111 H113 Y124 F138 L143I111-V126 HydrophobicContact CB-CG2 3.99Å; I111-V126 HydrophobicContact CG2-CG2 3.67Å; I111-V126 WeakPolarHBondContact O-CG2 3.4Å; I111-V126 PolarHBondContact O-N 3Å; H113-V126 HydrophobicContact CB-CG1 3.31Å; H113-V126 HydrophobicContact CB-CG2 4.42Å; Y124-V126 PolarHBondContact O-N 3.27Å; V126-F138 PolarHBondContact O-N 2.91Å; V126-L143 HydrophobicContact CB-CD1 4Å; V126-L143 HydrophobicContact CG1-CD1 3.37Å; V126-L143 HydrophobicContact CG1-CD2 3.74Å; V126-L143 HydrophobicContact CG1-CG 4.19Å
127A88.9Confident81.9Confident5 Ų578.8 Ų78.84%0.04143%0.428CS..EExtended strand (participates in β ladder)trans-153.9155.1175.900000111.6I111 I135 V136 I137I111-A127 HydrophobicContact CB-CB 4.04Å; I111-A127 HydrophobicContact CD1-CB 4.04Å; I111-A127 HydrophobicContact CG1-CB 4.15Å; I111-A127 PolarHBondContact N-O 3.47Å; I111-A127 PolarHBondContact O-N 2.7Å; A127-I135 HydrophobicContact CB-CG2 3.85Å; A127-V136 CarbonylContact C-O 3.59Å; A127-V136 VanDerWaalsContact CA-O 3.28Å; A127-V136 WeakPolarHBondContact CA-O 3.47Å; A127-V136 WeakPolarHBondContact CB-O 3.36Å; A127-I137 HydrophobicContact CB-CG1 4.25Å
128K91.2Very high82.6Confident94 Ų9481.2 Ų81.241%0.40943%0.434SS..EExtended strand (participates in β ladder)trans-110.6146.8164.8-95173.8-135.7-176.40108.5L109 N110 I135 V136 F138L109-K128 CarbonylContact O-C 3.6Å; L109-K128 WeakPolarHBondContact O-CA 3.25Å; N110-K128 WeakPolarHBondContact OD1-CG 3.28Å; K128-I135 CarbonylContact O-C 3.51Å; K128-V136 PolarHBondContact N-O 2.96Å; K128-V136 PolarHBondContact O-N 2.73Å; K128-F138 HydrophobicContact CB-CE2 3.65Å; K128-F138 HydrophobicContact CB-CZ 3.8Å; K128-F138 HydrophobicContact CD-CE2 3.77Å; K128-F138 HydrophobicContact CD-CZ 3.52Å; K128-F138 HydrophobicContact CG-CE2 3.56Å; K128-F138 HydrophobicContact CG-CZ 3.8Å
129W90.6Very high82.4Confident87 Ų8782.2 Ų82.233%0.3342%0.423SS..EExtended strand (participates in β ladder)trans-130.8137.5170.717589.8000109.5I107 H108 L109 G134 I135I107-W129 WeakPolarHBondContact O-CZ3 3.46Å; H108-W129 CarbonylContact C-O 3.59Å; H108-W129 WeakPolarHBondContact CA-O 3.43Å; L109-W129 HydrophobicContact CB-CB 4.17Å; L109-W129 HydrophobicContact CB-CE3 4.02Å; L109-W129 HydrophobicContact CD1-CD2 4.07Å; L109-W129 HydrophobicContact CD1-CE3 3.47Å; L109-W129 VanDerWaalsContact CD1-CE3 3.47Å; L109-W129 HydrophobicContact CD1-CZ3 3.91Å; L109-W129 HydrophobicContact CG-CD2 4.49Å; L109-W129 HydrophobicContact CG-CE3 3.58Å; L109-W129 HydrophobicContact CG-CZ3 4.08Å; L109-W129 PolarHBondContact N-O 2.82Å; L109-W129 PolarHBondContact O-N 2.84Å; W129-G134 WeakPolarHBondContact CA-O 3.48Å; W129-I135 HydrophobicContact CB-CG1 4.29Å; W129-I135 HydrophobicContact CG-CG1 4.19Å
130N86.3Confident81.7Confident28 Ų2883 Ų8315%0.1542%0.415CS..EExtended strand (participates in β ladder)trans-140164.6167.564.9-9000108.2A132 N133 G134N130-A132 VanDerWaalsContact C-N 3.33Å; N130-A132 PolarHBondContact O-N 3.3Å; N130-N133 PolarHBondContact ND2-ND2 3.15Å; N130-N133 WeakPolarHBondContact OD1-CA 3.34Å; N130-N133 WeakPolarHBondContact OD1-CB 3.4Å; N130-N133 PolarHBondContact OD1-N 3.32Å; N130-G134 PolarHBondContact N-O 3.45Å; N130-G134 WeakPolarHBondContact O-CA 3.29Å; N130-G134 PolarHBondContact O-N 2.95Å
131E83.4Confident80.6Confident103 Ų10392 Ų9248%0.48144%0.442SS..THydrogen-bonded Turntrans-65.8-39.4-179-172.6171.8150.600111.9F104 D106F104-E131 WeakPolarHBondContact CD2-OE2 3.29Å; F104-E131 VanDerWaalsContact CE2-CD 3.47Å; F104-E131 WeakPolarHBondContact CE2-OE2 3.42Å; F104-E131 VanDerWaalsContact CZ-OE1 3.25Å; F104-E131 WeakPolarHBondContact CZ-OE1 3.38Å; F104-E131 WeakPolarHBondContact CZ-OE2 3.38Å; D106-E131 WeakPolarHBondContact OD1-CB 3.17Å; D106-E131 PolarHBondContact OD1-N 3.43Å
132A81.9Confident79.6Confident79 Ų7991 Ų9165%0.65344%0.44SS*.THydrogen-bonded Turntrans-67.1-39.8-175.100000114.5N130N130-A132 VanDerWaalsContact C-N 3.33Å; N130-A132 PolarHBondContact O-N 3.3Å
133N84.3Confident78.4Confident120 Ų12089.1 Ų89.164%0.64243%0.432SS*.THydrogen-bonded Turntrans-112.3-5.2-174.2-51.8-41.4000113.4N130 V136N130-N133 PolarHBondContact ND2-ND2 3.15Å; N130-N133 WeakPolarHBondContact OD1-CA 3.34Å; N130-N133 WeakPolarHBondContact OD1-CB 3.4Å; N130-N133 PolarHBondContact OD1-N 3.32Å; N133-V136 HydrophobicContact CB-CG2 4.17Å
134G88.6Confident77.3Confident23 Ų2388.9 Ų88.924%0.23743%0.428CS..EExtended strand (participates in β ladder)trans66.8-147.5-172.300000112.3W129 N130 V136W129-G134 WeakPolarHBondContact CA-O 3.48Å; N130-G134 PolarHBondContact N-O 3.45Å; N130-G134 WeakPolarHBondContact O-CA 3.29Å; N130-G134 PolarHBondContact O-N 2.95Å; G134-V136 PolarHBondContact O-N 3.21Å
135I88.9Confident76Confident105 Ų10590.9 Ų90.954%0.53845%0.45SS..EExtended strand (participates in β ladder)trans-84115.1-177.9-56.1176.5000109.7I111 A127 K128 W129 I137I111-I135 HydrophobicContact CD1-CG2 4.47Å; A127-I135 HydrophobicContact CB-CG2 3.85Å; K128-I135 CarbonylContact O-C 3.51Å; W129-I135 HydrophobicContact CB-CG1 4.29Å; W129-I135 HydrophobicContact CG-CG1 4.19Å; I135-I137 HydrophobicContact CG2-CG1 3.9Å
136V89.1Confident74.3Confident63 Ų6395.4 Ų95.438%0.38247%0.467SS..EExtended strand (participates in β ladder)trans-99.7104170.4-176.60000108.9A127 K128 N133 G134A127-V136 CarbonylContact C-O 3.59Å; A127-V136 VanDerWaalsContact CA-O 3.28Å; A127-V136 WeakPolarHBondContact CA-O 3.47Å; A127-V136 WeakPolarHBondContact CB-O 3.36Å; K128-V136 PolarHBondContact N-O 2.96Å; K128-V136 PolarHBondContact O-N 2.73Å; N133-V136 HydrophobicContact CB-CG2 4.17Å; G134-V136 PolarHBondContact O-N 3.21Å
137I85.6Confident72.6Confident106 Ų106101 Ų10154%0.54449%0.493SS..EExtended strand (participates in β ladder)trans-80.7124.3179.3-56175.4000109.4A127 I135A127-I137 HydrophobicContact CB-CG1 4.25Å; I135-I137 HydrophobicContact CG2-CG1 3.9Å
138F81.1Confident70.7Confident75 Ų75106.7 Ų106.733%0.32952%0.518SS..  trans-76.9141.2171.4-61.6-66.3000109.9L125 V126 K128 K140L125-F138 HydrophobicContact CD2-CD2 4.17Å; L125-F138 HydrophobicContact CD2-CE2 3.93Å; L125-F138 HydrophobicContact CG-CD2 4.08Å; L125-F138 HydrophobicContact CG-CE2 4.2Å; V126-F138 PolarHBondContact O-N 2.91Å; K128-F138 HydrophobicContact CB-CE2 3.65Å; K128-F138 HydrophobicContact CB-CZ 3.8Å; K128-F138 HydrophobicContact CD-CE2 3.77Å; K128-F138 HydrophobicContact CD-CZ 3.52Å; K128-F138 HydrophobicContact CG-CE2 3.56Å; K128-F138 HydrophobicContact CG-CZ 3.8Å; F138-K140 PolarHBondContact O-N 3.13Å
139K66.1Low68.7Low163 Ų163113.6 Ų113.671%0.70954%0.541SS*.  trans-27.9116.4-169.8-76.4176.8175.9175.40114.3R141K139-R141 PolarHBondContact O-N 3.25Å
140K57.7Low67Low162 Ų162111.9 Ų111.970%0.70454%0.543SS*.THydrogen-bonded Turntrans-52.6-19.6173.2-74.3-177.4174.3-177.70115.2F138F138-K140 PolarHBondContact O-N 3.13Å
141R52.1Low66.4Low232 Ų232113.4 Ų113.488%0.87556%0.556SS**THydrogen-bonded Turntrans-88.2-15.3-163.2-97-177.7-168.2166.44.8116.3K139K139-R141 PolarHBondContact O-N 3.25Å
142E52.3Low66.6Low148 Ų148113.1 Ų113.169%0.69255%0.554SS**SBendtrans-109-5.7-174.2-70.7174.9-157.800113.5F144E142-F144 PolarHBondContact O-N 3.24Å
143L52.5Low67Low29 Ų29113.4 Ų113.415%0.15254%0.539CS..SBendtrans-79.2-7.7-179.3-66.4163.4000113.6Y124 V126Y124-L143 HydrophobicContact CD1-CD2 3.99Å; Y124-L143 HydrophobicContact CG-CD2 3.69Å; V126-L143 HydrophobicContact CB-CD1 4Å; V126-L143 HydrophobicContact CG1-CD1 3.37Å; V126-L143 HydrophobicContact CG1-CD2 3.74Å; V126-L143 HydrophobicContact CG1-CG 4.19Å
144F52.9Low67.2Low92 Ų92111.8 Ų111.840%0.40452%0.524SS..  trans-13186.2-177.6-52.6-80.2000110.1E142 F146 E147E142-F144 PolarHBondContact O-N 3.24Å; F144-F146 PolarHBondContact O-N 3.29Å; F144-F146 VanDerWaalsContact O-N 3.16Å; F144-E147 HydrophobicContact CB-CB 3.76Å; F144-E147 HydrophobicContact CB-CG 4.49Å; F144-E147 HydrophobicContact CG-CB 4.22Å; F144-E147 HydrophobicContact CG-CG 4.43Å
145P52.2Low67.3Low116 Ų116110.7 Ų110.775%0.75351%0.513SS*.THydrogen-bonded Turntrans-67.6-2163.727.2-30.3000112.2
146F49.1Very low67.1Low154 Ų154105.7 Ų105.768%0.67549%0.487SS*.THydrogen-bonded Turntrans-150.551.4-178-144-90.8000111.7F144 E148F144-F146 PolarHBondContact O-N 3.29Å; F144-F146 VanDerWaalsContact O-N 3.16Å; F146-E148 HydrophobicContact CD1-CB 4.29Å; F146-E148 HydrophobicContact CD1-CG 4.23Å; F146-E148 HydrophobicContact CE1-CB 4.12Å; F146-E148 VanDerWaalsContact CE1-CD 3.44Å; F146-E148 HydrophobicContact CE1-CG 3.74Å; F146-E148 WeakPolarHBondContact CE1-OE2 3.35Å; F146-E148 HydrophobicContact CZ-CG 4.13Å; F146-E148 PolarHBondContact O-N 3.21Å
147E50Low66.5Low138 Ų138103 Ų10365%0.64547%0.472SS*.  trans-79.769.4157.6-141.6163.9-163.600106.8F144 R149F144-E147 HydrophobicContact CB-CB 3.76Å; F144-E147 HydrophobicContact CB-CG 4.49Å; F144-E147 HydrophobicContact CG-CB 4.22Å; F144-E147 HydrophobicContact CG-CG 4.43Å; E147-R149 PolarHBondContact O-N 3.1Å; E147-R149 VanDerWaalsContact O-N 3.1Å
148E48.5Very low65.7Low123 Ų12398.3 Ų98.358%0.57545%0.449SS*.  trans-54.9121.7153.2-93.7-175.9171.200105.1F146 S150F146-E148 HydrophobicContact CD1-CB 4.29Å; F146-E148 HydrophobicContact CD1-CG 4.23Å; F146-E148 HydrophobicContact CE1-CB 4.12Å; F146-E148 VanDerWaalsContact CE1-CD 3.44Å; F146-E148 HydrophobicContact CE1-CG 3.74Å; F146-E148 WeakPolarHBondContact CE1-OE2 3.35Å; F146-E148 HydrophobicContact CZ-CG 4.13Å; F146-E148 PolarHBondContact O-N 3.21Å; E148-S150 PolarHBondContact O-N 3.46Å
149R49.9Very low64.8Low239 Ų23997.1 Ų97.190%0.90245%0.449SS*.SBendtrans-54.525.5167.4-91.8178169.9175.6-3.6113.3E147 S151E147-R149 PolarHBondContact O-N 3.1Å; E147-R149 VanDerWaalsContact O-N 3.1Å; R149-S151 VanDerWaalsContact C-N 3.27Å; R149-S151 PolarHBondContact O-N 2.78Å
150S54.1Low64.8Low52 Ų5295.7 Ų95.736%0.36444%0.443SS..  trans-77.587.516565.10000107E148 H152E148-S150 PolarHBondContact O-N 3.46Å; S150-H152 PolarHBondContact O-N 3.21Å
151S75.1Confident65.6Low59 Ų5989.1 Ų89.141%0.41342%0.415SS..  trans-51.2109.9161.3-590000106.6R149 F190 T191R149-S151 VanDerWaalsContact C-N 3.27Å; R149-S151 PolarHBondContact O-N 2.78Å; S151-F190 VanDerWaalsContact O-CB 3.23Å; S151-F190 WeakPolarHBondContact O-CB 3.46Å; S151-T191 PolarHBondContact O-N 2.8Å; S151-T191 VanDerWaalsContact O-O 3.1Å
152H86.5Confident66.8Low98 Ų9884.3 Ų84.345%0.45440%0.403SS..EExtended strand (participates in β ladder)trans-97.1116.6176.4-169.677.5000107.8S150 T191S150-H152 PolarHBondContact O-N 3.21Å; H152-T191 CarbonylContact C-O 3.46Å; H152-T191 VanDerWaalsContact CA-O 3.27Å; H152-T191 WeakPolarHBondContact CA-O 3.46Å; H152-T191 PolarHBondContact ND1-OG1 2.78Å
153Y90.6Very high68.1Low84 Ų8481.3 Ų81.333%0.32939%0.39SS..EExtended strand (participates in β ladder)trans-107.5132.4-177.9-66.5-77.1000111.4F190 T191 Y192 E193 N229 I230Y153-F190 HydrophobicContact CD2-CB 3.87Å; Y153-F190 HydrophobicContact CD2-CD1 4.38Å; Y153-F190 AromaticContact CD2-CD2 3.54Å; Y153-F190 HydrophobicContact CD2-CD2 3.54Å; Y153-F190 HydrophobicContact CD2-CE2 4.13Å; Y153-F190 AromaticContact CD2-CG 3.69Å; Y153-F190 HydrophobicContact CD2-CG 3.69Å; Y153-F190 HydrophobicContact CE2-CB 3.77Å; Y153-F190 HydrophobicContact CE2-CD1 4.24Å; Y153-F190 HydrophobicContact CE2-CD2 4.17Å; Y153-F190 AromaticContact CE2-CG 3.84Å; Y153-F190 HydrophobicContact CE2-CG 3.84Å; Y153-T191 PolarHBondContact N-O 3.3Å; Y153-Y192 CarbonylContact O-C 3.55Å; Y153-Y192 WeakPolarHBondContact O-CA 3.24Å; Y153-Y192 VanDerWaalsContact O-CB 3.31Å; Y153-Y192 WeakPolarHBondContact O-CB 3.49Å; Y153-E193 PolarHBondContact O-N 3.45Å; Y153-N229 HydrophobicContact CD1-CB 3.79Å; Y153-I230 HydrophobicContact CD1-CD1 4.24Å; Y153-I230 HydrophobicContact CG-CD1 4.11Å
154R89.3Confident69.4Low87 Ų8784.4 Ų84.433%0.32840%0.404SS..EExtended strand (participates in β ladder)trans-88.6121.1171.4-170.8164.8-174.1-135.31.6109.9E193 Y195 N227 N229 I230R154-E193 HydrophobicContact CB-CG 4.2Å; R154-E193 WeakPolarHBondContact CD-OE1 3.41Å; R154-E193 HydrophobicContact CG-CG 3.99Å; R154-E193 VanDerWaalsContact CG-OE1 3.31Å; R154-E193 WeakPolarHBondContact CG-OE1 3.36Å; R154-E193 IonicContact NE-OE1 3.43Å; R154-E193 PolarHBondContact NE-OE1 3.23Å; R154-Y195 HydrophobicContact CG-CD1 3.7Å; R154-Y195 HydrophobicContact CG-CE1 3.67Å; R154-N227 VanDerWaalsContact CD-O 3.24Å; R154-N227 WeakPolarHBondContact CD-O 3.3Å; R154-N227 PolarHBondContact NH1-O 3.04Å; R154-N229 WeakPolarHBondContact CB-OD1 3.4Å; R154-N229 PolarHBondContact N-OD1 3.22Å; R154-N229 PolarHBondContact O-N 3.35Å; R154-I230 PolarHBondContact O-N 2.82Å
155I90.1Very high70.7Confident0 Ų087.4 Ų87.40%042%0.419CS..EExtended strand (participates in β ladder)trans-112.2120.5-171.5-53.3-171.5000110.3I181 Y192 E193 V194 Y195 I230 L232I155-I181 HydrophobicContact CD1-CD1 3.72Å; I155-I181 HydrophobicContact CD1-CG1 3.46Å; I155-I181 VanDerWaalsContact CD1-CG1 3.46Å; I155-Y192 HydrophobicContact CD1-CD2 3.8Å; I155-Y192 HydrophobicContact CD1-CG 3.8Å; I155-E193 WeakPolarHBondContact CB-O 3.26Å; I155-E193 PolarHBondContact N-O 3.05Å; I155-V194 HydrophobicContact CB-CG2 4.27Å; I155-V194 WeakPolarHBondContact O-CA 3.43Å; I155-Y195 VanDerWaalsContact O-CD1 3.28Å; I155-Y195 WeakPolarHBondContact O-CD1 3.17Å; I155-Y195 PolarHBondContact O-N 2.63Å; I155-I230 CarbonylContact C-O 3.59Å; I155-I230 VanDerWaalsContact CA-O 3.27Å; I155-I230 WeakPolarHBondContact CA-O 3.18Å; I155-I230 HydrophobicContact CG1-CB 4.31Å; I155-L232 HydrophobicContact CG2-CB 4.31Å; I155-L232 HydrophobicContact CG2-CD1 3.66Å; I155-L232 HydrophobicContact CG2-CG 3.7Å
156A85.5Confident72Confident0 Ų084.2 Ų84.20%040%0.396CS..EExtended strand (participates in β ladder)trans-80120.4170.600000109.8Y195 V197 I219 A228 I230 L232A156-Y195 HydrophobicContact CB-CE1 4.03Å; A156-V197 HydrophobicContact CB-CG2 3.6Å; A156-I219 HydrophobicContact CB-CD1 3.97Å; A156-I219 HydrophobicContact CB-CG1 3.92Å; A156-A228 HydrophobicContact CB-CB 3.7Å; A156-I230 PolarHBondContact N-O 3.05Å; A156-L232 PolarHBondContact O-N 2.75Å
157G76.7Confident73.4Confident6 Ų687.6 Ų87.66%0.06241%0.41CS..EExtended strand (participates in β ladder)trans-99.5127.3175.100000112.8Y195G157-Y195 PolarHBondContact N-O 2.93Å
158A68.3Low74.7Confident8 Ų885.7 Ų85.77%0.06641%0.412CS..  trans-162.7155.2172.600000111.7I219 L232 A233A158-I219 HydrophobicContact CB-CD1 4Å; A158-L232 PolarHBondContact N-O 3.13Å; A158-L232 VanDerWaalsContact O-O 3.07Å; A158-A233 WeakPolarHBondContact O-CA 3.41Å; A158-A233 WeakPolarHBondContact O-CB 3.29Å
159P61.6Low76.2Confident50 Ų5082.7 Ų82.733%0.32541%0.414SS..SBend-47.3166.7-106.435.2-35000115.5L205 N234P159-L205 HydrophobicContact CG-CD1 3.94Å; P159-N234 VanDerWaalsContact CD-OD1 3.27Å; P159-N234 WeakPolarHBondContact CD-OD1 3.49Å; P159-N234 WeakPolarHBondContact CG-OD1 3.2Å
160F65.7Low77.6Confident132 Ų13274.5 Ų74.558%0.57939%0.394SS*.SBendtrans93.23.5-165.1-63.7-80.3000116.4N234F160-N234 HydrophobicContact CD2-CB 3.49Å; F160-N234 VanDerWaalsContact CD2-CB 3.49Å; F160-N234 HydrophobicContact CE2-CB 3.27Å; F160-N234 VanDerWaalsContact CE2-CG 3.4Å; F160-N234 WeakPolarHBondContact CE2-ND2 3.5Å; F160-N234 HydrophobicContact CZ-CB 4.48Å
161I74.2Confident78.7Confident25 Ų2579 Ų7913%0.12840%0.403CS..  trans-106.7116.8165.7-62.5164.5000107.9Y173 T174 C177 M178I161-Y173 HydrophobicContact CG2-CD1 3.57Å; I161-Y173 HydrophobicContact CG2-CG 4.01Å; I161-T174 CarbonylContact C-O 3.57Å; I161-C177 HydrophobicContact CG1-CB 4.21Å; I161-M178 HydrophobicContact CD1-SD 4.12Å; I161-M178 HydrophobicContact CG1-CG 4.11Å; I161-M178 HydrophobicContact CG1-SD 4.23Å; I161-M178 HydrophobicContact CG2-CG 4.02Å; I161-M178 HydrophobicContact CG2-SD 4.26Å
162Q77.9Confident79.1Confident131 Ų13182.3 Ų82.361%0.61241%0.406SS*.EExtended strand (participates in β ladder)trans-84.4124.9171.3-66.3-179.1-800109.3T174Q162-T174 WeakPolarHBondContact CA-O 3.28Å; Q162-T174 WeakPolarHBondContact CB-OG1 3.39Å; Q162-T174 PolarHBondContact N-O 2.88Å; Q162-T174 PolarHBondContact O-N 2.74Å; Q162-T174 PolarHBondContact O-OG1 2.7Å
163I79.7Confident79Confident84 Ų8479.9 Ų79.943%0.43139%0.393SS..EExtended strand (participates in β ladder)trans-95113.3178.4-51.5170.1000107.9R171 Y173 D196I163-R171 HydrophobicContact CG2-CB 4.23Å; I163-R171 HydrophobicContact CG2-CG 4.37Å; I163-Y173 HydrophobicContact CD1-CE1 4.33Å; I163-Y173 HydrophobicContact CG1-CD1 3.97Å; I163-Y173 HydrophobicContact CG1-CE1 3.96Å; I163-Y173 HydrophobicContact CG2-CE1 4.49Å; I163-D196 VanDerWaalsContact CD1-OD1 3.3Å; I163-D196 WeakPolarHBondContact CD1-OD1 3.04Å
164Q80.2Confident78.9Confident95 Ų9577.5 Ų77.544%0.44439%0.388SS..EExtended strand (participates in β ladder)trans-100.7137.4170.1-61.9-176.112.600108.7R172 T174Q164-R172 HydrophobicContact CB-CB 4.46Å; Q164-R172 PolarHBondContact N-O 2.83Å; Q164-R172 PolarHBondContact O-N 3.44Å; Q164-T174 PolarHBondContact NE2-OG1 3.33Å
165Q79.3Confident78.7Confident155 Ų15574.3 Ų74.372%0.72438%0.381SS*.EExtended strand (participates in β ladder)trans-94.3121.3171.4-70.1-177.81.800108.7
166D79.4Confident78.5Confident48 Ų4880.4 Ų80.426%0.25741%0.405SS..PPolyproline II helixtrans-70.6157.9170.2-84-26.1000110.2S168 G169 S170 R172D166-S168 PolarHBondContact O-N 2.8Å; D166-G169 PolarHBondContact O-N 3.12Å; D166-S170 PolarHBondContact N-O 3.47Å; D166-R172 VanDerWaalsContact CG-NH2 3.33Å; D166-R172 IonicContact OD1-CZ 3.36Å; D166-R172 IonicContact OD1-NE 3.43Å; D166-R172 PolarHBondContact OD1-NE 3.41Å; D166-R172 IonicContact OD1-NH2 3.18Å; D166-R172 PolarHBondContact OD1-NH2 3.39Å; D166-R172 IonicContact OD2-CZ 3.3Å; D166-R172 VanDerWaalsContact OD2-CZ 3.3Å; D166-R172 IonicContact OD2-NE 3.17Å; D166-R172 PolarHBondContact OD2-NE 3.34Å; D166-R172 VanDerWaalsContact OD2-NE 3.17Å; D166-R172 IonicContact OD2-NH2 2.72Å; D166-R172 PolarHBondContact OD2-NH2 3.19Å
167K78.5Confident78.6Confident226 Ų22680.9 Ų80.998%0.98341%0.409SS*.THydrogen-bonded Turntrans-57.1-20.2175.5-63.3-177.3-178.9179.40113.4G169K167-G169 VanDerWaalsContact C-N 3.33Å
168S78.4Confident79.2Confident98 Ų9881.4 Ų81.469%0.68541%0.41SS*.THydrogen-bonded Turntrans-84-0.8176.555.90000114.1D166 S170D166-S168 PolarHBondContact O-N 2.8Å; S168-S170 PolarHBondContact O-N 3.45Å
169G78.9Confident80.3Confident60 Ų6085.9 Ų85.962%0.61943%0.432SS*.SBendtrans80.4-2.1-174.600000114.4D166 K167D166-G169 PolarHBondContact O-N 3.12Å; K167-G169 VanDerWaalsContact C-N 3.33Å
170S79.7Confident81.7Confident67 Ų6785.7 Ų85.747%0.46943%0.429SS..  trans-71.5136.5174-167.70000110.9D166 S168D166-S170 PolarHBondContact N-O 3.47Å; S168-S170 PolarHBondContact O-N 3.45Å
171R78.4Confident82.9Confident146 Ų14679.6 Ų79.655%0.55140%0.402SS*.EExtended strand (participates in β ladder)trans-83.1124.3174.5-64.3-176.2-171.9179.65.8109.1I163 D196I163-R171 HydrophobicContact CG2-CB 4.23Å; I163-R171 HydrophobicContact CG2-CG 4.37Å; R171-D196 IonicContact NH1-OD2 2.87Å; R171-D196 PolarHBondContact NH1-OD2 3.45Å
172R82.7Confident83.8Confident128 Ų12883.6 Ų83.648%0.48342%0.418SS..EExtended strand (participates in β ladder)trans-108.8121.4174.9-172.6-178.4-63.3-165.4-1.6109.2Q164 D166 T174Q164-R172 HydrophobicContact CB-CB 4.46Å; Q164-R172 PolarHBondContact N-O 2.83Å; Q164-R172 PolarHBondContact O-N 3.44Å; D166-R172 VanDerWaalsContact CG-NH2 3.33Å; D166-R172 IonicContact OD1-CZ 3.36Å; D166-R172 IonicContact OD1-NE 3.43Å; D166-R172 PolarHBondContact OD1-NE 3.41Å; D166-R172 IonicContact OD1-NH2 3.18Å; D166-R172 PolarHBondContact OD1-NH2 3.39Å; D166-R172 IonicContact OD2-CZ 3.3Å; D166-R172 VanDerWaalsContact OD2-CZ 3.3Å; D166-R172 IonicContact OD2-NE 3.17Å; D166-R172 PolarHBondContact OD2-NE 3.34Å; D166-R172 VanDerWaalsContact OD2-NE 3.17Å; D166-R172 IonicContact OD2-NH2 2.72Å; D166-R172 PolarHBondContact OD2-NH2 3.19Å; R172-T174 HydrophobicContact CG-CG2 4.29Å
173Y85Confident84.6Confident48 Ų4883.9 Ų83.919%0.18842%0.417CS..EExtended strand (participates in β ladder)trans-88.5129175.2-58-71.6000109.8I161 I163 V194 D196I161-Y173 HydrophobicContact CG2-CD1 3.57Å; I161-Y173 HydrophobicContact CG2-CG 4.01Å; I163-Y173 HydrophobicContact CD1-CE1 4.33Å; I163-Y173 HydrophobicContact CG1-CD1 3.97Å; I163-Y173 HydrophobicContact CG1-CE1 3.96Å; I163-Y173 HydrophobicContact CG2-CE1 4.49Å; Y173-V194 HydrophobicContact CD1-CG1 4.46Å; Y173-V194 HydrophobicContact CD2-CB 3.84Å; Y173-V194 HydrophobicContact CD2-CG1 3.99Å; Y173-V194 HydrophobicContact CE2-CB 3.93Å; Y173-V194 HydrophobicContact CE2-CG1 4.09Å; Y173-V194 WeakPolarHBondContact CE2-O 3.32Å; Y173-V194 HydrophobicContact CG-CB 4.46Å; Y173-V194 HydrophobicContact CG-CG1 4.16Å; Y173-D196 VanDerWaalsContact CE1-OD1 3.26Å; Y173-D196 WeakPolarHBondContact CE1-OD1 3.49Å
174T86.8Confident85.2Confident34 Ų3482.5 Ų82.521%0.20941%0.411CS..EExtended strand (participates in β ladder)trans-134.1154.2179.453.20000109.8I161 Q162 Q164 R172I161-T174 CarbonylContact C-O 3.57Å; Q162-T174 WeakPolarHBondContact CA-O 3.28Å; Q162-T174 WeakPolarHBondContact CB-OG1 3.39Å; Q162-T174 PolarHBondContact N-O 2.88Å; Q162-T174 PolarHBondContact O-N 2.74Å; Q162-T174 PolarHBondContact O-OG1 2.7Å; Q164-T174 PolarHBondContact NE2-OG1 3.33Å; R172-T174 HydrophobicContact CG-CG2 4.29Å
175G86Confident85.8Confident19 Ų1978.7 Ų78.720%0.19639%0.394CS..SBendtrans134.8174.5176.200000112.7C177 M178 D179G175-C177 VanDerWaalsContact C-N 3.34Å; G175-C177 PolarHBondContact O-N 3.28Å; G175-M178 WeakPolarHBondContact O-CB 3.47Å; G175-M178 PolarHBondContact O-N 3.16Å; G175-D179 PolarHBondContact O-N 3.21Å
176Y85.8Confident86.5Confident128 Ų12876.9 Ų76.950%0.50239%0.386SS..Hα-helixtrans-54.7-46.7-174.7177.4-89.7000112.8M178 D179 L180 F251Y176-M178 VanDerWaalsContact C-N 3.28Å; Y176-M178 PolarHBondContact O-N 3.17Å; Y176-D179 PolarHBondContact O-N 3.43Å; Y176-L180 HydrophobicContact CE1-CD2 4.36Å; Y176-L180 WeakPolarHBondContact O-CB 3.49Å; Y176-L180 PolarHBondContact O-N 3.32Å; Y176-F251 AromaticContact CE1-CE2 3.71Å; Y176-F251 HydrophobicContact CE1-CE2 3.71Å; Y176-F251 HydrophobicContact CE1-CZ 4.43Å
177C87.3Confident87.2Confident10 Ų1082.1 Ų82.17%0.06841%0.409CS..Hα-helixtrans-64.1-33179.2-62.90000112.8I161 G175 L180 I181 L232I161-C177 HydrophobicContact CG1-CB 4.21Å; G175-C177 VanDerWaalsContact C-N 3.34Å; G175-C177 PolarHBondContact O-N 3.28Å; C177-L180 PolarHBondContact O-N 3.36Å; C177-I181 WeakPolarHBondContact O-CG2 3.37Å; C177-I181 PolarHBondContact O-N 3.44Å; C177-L232 HydrophobicContact CB-CB 4.15Å; C177-L232 HydrophobicContact CB-CD1 4.41Å
178M90.2Very high87.9Confident18 Ų1877.3 Ų77.39%0.08939%0.393CS..Hα-helixtrans-71.1-40.2178-67.7-57.1-53.400111.8I161 G175 Y176 L180 I181 K182 Y192 V194I161-M178 HydrophobicContact CD1-SD 4.12Å; I161-M178 HydrophobicContact CG1-CG 4.11Å; I161-M178 HydrophobicContact CG1-SD 4.23Å; I161-M178 HydrophobicContact CG2-CG 4.02Å; I161-M178 HydrophobicContact CG2-SD 4.26Å; G175-M178 WeakPolarHBondContact O-CB 3.47Å; G175-M178 PolarHBondContact O-N 3.16Å; Y176-M178 VanDerWaalsContact C-N 3.28Å; Y176-M178 PolarHBondContact O-N 3.17Å; M178-L180 VanDerWaalsContact C-N 3.32Å; M178-I181 HydrophobicContact CE-CG2 4.46Å; M178-I181 WeakPolarHBondContact O-CG2 3.43Å; M178-K182 VanDerWaalsContact O-CB 3.27Å; M178-K182 WeakPolarHBondContact O-CB 3.33Å; M178-K182 PolarHBondContact O-N 2.92Å; M178-Y192 HydrophobicContact CE-CE2 4.24Å; M178-V194 HydrophobicContact CE-CG2 3.85Å; M178-V194 HydrophobicContact SD-CG1 4.35Å; M178-V194 HydrophobicContact SD-CG2 4.09Å
179D90.5Very high88.4Confident101 Ų10179 Ų7954%0.5439%0.394SS..Hα-helixtrans-67.4-37.4175.5-65.9-25.8000111.2G175 Y176 K183G175-D179 PolarHBondContact O-N 3.21Å; Y176-D179 PolarHBondContact O-N 3.43Å; D179-K183 WeakPolarHBondContact O-CG 3.32Å; D179-K183 PolarHBondContact O-N 3.12Å; D179-K183 VanDerWaalsContact O-N 3.16Å
180L90.1Very high89Confident47 Ų4777 Ų7725%0.24637%0.369CS..Hα-helixtrans-63.2-53.7176.3179.762.6000111.5Y176 C177 M178 K182 K183 I184 F251Y176-L180 HydrophobicContact CE1-CD2 4.36Å; Y176-L180 WeakPolarHBondContact O-CB 3.49Å; Y176-L180 PolarHBondContact O-N 3.32Å; C177-L180 PolarHBondContact O-N 3.36Å; M178-L180 VanDerWaalsContact C-N 3.32Å; L180-K182 VanDerWaalsContact C-N 3.27Å; L180-K182 PolarHBondContact O-N 3.22Å; L180-K183 PolarHBondContact O-N 2.94Å; L180-I184 HydrophobicContact CD1-CD1 3.99Å; L180-I184 HydrophobicContact CD1-CG1 4.45Å; L180-I184 HydrophobicContact CG-CD1 3.8Å; L180-I184 WeakPolarHBondContact O-CG1 3.49Å; L180-I184 PolarHBondContact O-N 2.88Å; L180-F251 HydrophobicContact CD2-CE1 4.16Å; L180-F251 HydrophobicContact CD2-CE2 4.16Å; L180-F251 HydrophobicContact CD2-CZ 3.92Å
181I91.3Very high89.5Confident4 Ų476.8 Ų76.82%0.02137%0.365CS..Hα-helixtrans-65.3-34-178.7-167.469.9000112.1I155 C177 M178 K183 I184 S185 F190 Y192 L232I155-I181 HydrophobicContact CD1-CD1 3.72Å; I155-I181 HydrophobicContact CD1-CG1 3.46Å; I155-I181 VanDerWaalsContact CD1-CG1 3.46Å; C177-I181 WeakPolarHBondContact O-CG2 3.37Å; C177-I181 PolarHBondContact O-N 3.44Å; M178-I181 HydrophobicContact CE-CG2 4.46Å; M178-I181 WeakPolarHBondContact O-CG2 3.43Å; I181-K183 PolarHBondContact O-N 3.35Å; I181-I184 PolarHBondContact O-N 3.02Å; I181-S185 WeakPolarHBondContact O-CB 3.43Å; I181-S185 PolarHBondContact O-N 3.47Å; I181-S185 PolarHBondContact O-OG 2.94Å; I181-F190 HydrophobicContact CD1-CE2 4.32Å; I181-F190 HydrophobicContact CD1-CZ 3.88Å; I181-F190 HydrophobicContact CG1-CZ 4.41Å; I181-Y192 HydrophobicContact CG2-CE2 4.16Å; I181-L232 HydrophobicContact CB-CD1 3.6Å; I181-L232 HydrophobicContact CD1-CD1 4.41Å; I181-L232 HydrophobicContact CG1-CD1 4.04Å; I181-L232 HydrophobicContact CG2-CD1 3.72Å
182K93.2Very high90.1Very high108 Ų10872.9 Ų72.947%0.4735%0.35SS..Hα-helixtrans-58.8-49.1173.9-176.7179.4175.5-175.40110.9M178 L180 I184 S185 E186M178-K182 VanDerWaalsContact O-CB 3.27Å; M178-K182 WeakPolarHBondContact O-CB 3.33Å; M178-K182 PolarHBondContact O-N 2.92Å; L180-K182 VanDerWaalsContact C-N 3.27Å; L180-K182 PolarHBondContact O-N 3.22Å; K182-I184 VanDerWaalsContact C-N 3.33Å; K182-I184 PolarHBondContact O-N 3.01Å; K182-S185 PolarHBondContact O-N 3.26Å; K182-S185 PolarHBondContact O-OG 3.27Å; K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.46Å; K182-E186 PolarHBondContact O-N 3.43Å
183K94.2Very high90.5Very high137 Ų13771.2 Ų71.260%0.59635%0.348SS*.Hα-helixtrans-60.9-41.1175.5-73.2-177.4178.3-177.90112.5D179 L180 I181 S185 E186 Q187D179-K183 WeakPolarHBondContact O-CG 3.32Å; D179-K183 PolarHBondContact O-N 3.12Å; D179-K183 VanDerWaalsContact O-N 3.16Å; L180-K183 PolarHBondContact O-N 2.94Å; I181-K183 PolarHBondContact O-N 3.35Å; K183-S185 VanDerWaalsContact C-N 3.34Å; K183-E186 PolarHBondContact O-N 2.88Å; K183-Q187 WeakPolarHBondContact O-CG 3.42Å; K183-Q187 PolarHBondContact O-N 3.43Å
184I93.1Very high90.6Very high56 Ų5670 Ų7029%0.28735%0.346SS..Hα-helixtrans-64.6-40.4177.8-65.7165.7000110.8L180 I181 K182 Q187 L188 F190L180-I184 HydrophobicContact CD1-CD1 3.99Å; L180-I184 HydrophobicContact CD1-CG1 4.45Å; L180-I184 HydrophobicContact CG-CD1 3.8Å; L180-I184 WeakPolarHBondContact O-CG1 3.49Å; L180-I184 PolarHBondContact O-N 2.88Å; I181-I184 PolarHBondContact O-N 3.02Å; K182-I184 VanDerWaalsContact C-N 3.33Å; K182-I184 PolarHBondContact O-N 3.01Å; I184-Q187 PolarHBondContact O-N 2.91Å; I184-L188 HydrophobicContact CG2-CD1 3.87Å; I184-L188 HydrophobicContact CG2-CG 4.48Å; I184-L188 WeakPolarHBondContact O-CB 3.45Å; I184-L188 PolarHBondContact O-N 2.93Å; I184-F190 HydrophobicContact CG2-CE1 3.74Å; I184-F190 HydrophobicContact CG2-CZ 3.97Å
185S93.7Very high90.5Very high14 Ų1469.8 Ų69.810%0.09834%0.341CS..Hα-helixtrans-64.8-38.117775.80000112.9I181 K182 K183 N189 F190 Y192I181-S185 WeakPolarHBondContact O-CB 3.43Å; I181-S185 PolarHBondContact O-N 3.47Å; I181-S185 PolarHBondContact O-OG 2.94Å; K182-S185 PolarHBondContact O-N 3.26Å; K182-S185 PolarHBondContact O-OG 3.27Å; K183-S185 VanDerWaalsContact C-N 3.34Å; S185-N189 VanDerWaalsContact O-CA 3.29Å; S185-N189 WeakPolarHBondContact O-CA 3.3Å; S185-N189 PolarHBondContact O-N 2.86Å; S185-F190 VanDerWaalsContact CA-CE1 3.46Å; S185-F190 PolarHBondContact O-N 2.87Å; S185-Y192 WeakPolarHBondContact OG-CE1 3.41Å
186E94Very high90.2Very high117 Ų11771 Ų7155%0.54734%0.343SS..Hα-helixtrans-69.4-35.6176-72169.9-176.300111.7K182 K183 N189K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.46Å; K182-E186 PolarHBondContact O-N 3.43Å; K183-E186 PolarHBondContact O-N 2.88Å; E186-N189 PolarHBondContact O-OD1 2.82Å
187Q94.2Very high89.7Confident159 Ų15965.3 Ų65.374%0.74332%0.322SS*.Hα-helixtrans-75.5-37.9178.3-74.1-178.7-19.500113.1K183 I184K183-Q187 WeakPolarHBondContact O-CG 3.42Å; K183-Q187 PolarHBondContact O-N 3.43Å; I184-Q187 PolarHBondContact O-N 2.91Å
188L91.6Very high88.6Confident124 Ų12469.5 Ų69.565%0.64935%0.349SS*.Hα-helixtrans-98.3-2.4-175.6-65.1-178.9000113.6I184 F190I184-L188 HydrophobicContact CG2-CD1 3.87Å; I184-L188 HydrophobicContact CG2-CG 4.48Å; I184-L188 WeakPolarHBondContact O-CB 3.45Å; I184-L188 PolarHBondContact O-N 2.93Å; L188-F190 HydrophobicContact CB-CD1 3.61Å; L188-F190 HydrophobicContact CB-CE1 3.91Å; L188-F190 HydrophobicContact CD1-CD1 4.42Å; L188-F190 HydrophobicContact CD1-CE1 4.09Å
189N89.7Confident87Confident133 Ų13373 Ų7371%0.71137%0.368SS*.THydrogen-bonded Turntrans53.152-179.5-69.3-33.4000113.7S185 E186S185-N189 VanDerWaalsContact O-CA 3.29Å; S185-N189 WeakPolarHBondContact O-CA 3.3Å; S185-N189 PolarHBondContact O-N 2.86Å; E186-N189 PolarHBondContact O-OD1 2.82Å
190F90.7Very high84.9Confident20 Ų2073.1 Ų73.19%0.08837%0.371CS..  trans-118156.9174.371-105000111.6S151 Y153 I181 I184 S185 L188 Y192S151-F190 VanDerWaalsContact O-CB 3.23Å; S151-F190 WeakPolarHBondContact O-CB 3.46Å; Y153-F190 HydrophobicContact CD2-CB 3.87Å; Y153-F190 HydrophobicContact CD2-CD1 4.38Å; Y153-F190 AromaticContact CD2-CD2 3.54Å; Y153-F190 HydrophobicContact CD2-CD2 3.54Å; Y153-F190 HydrophobicContact CD2-CE2 4.13Å; Y153-F190 AromaticContact CD2-CG 3.69Å; Y153-F190 HydrophobicContact CD2-CG 3.69Å; Y153-F190 HydrophobicContact CE2-CB 3.77Å; Y153-F190 HydrophobicContact CE2-CD1 4.24Å; Y153-F190 HydrophobicContact CE2-CD2 4.17Å; Y153-F190 AromaticContact CE2-CG 3.84Å; Y153-F190 HydrophobicContact CE2-CG 3.84Å; I181-F190 HydrophobicContact CD1-CE2 4.32Å; I181-F190 HydrophobicContact CD1-CZ 3.88Å; I181-F190 HydrophobicContact CG1-CZ 4.41Å; I184-F190 HydrophobicContact CG2-CE1 3.74Å; I184-F190 HydrophobicContact CG2-CZ 3.97Å; S185-F190 VanDerWaalsContact CA-CE1 3.46Å; S185-F190 PolarHBondContact O-N 2.87Å; L188-F190 HydrophobicContact CB-CD1 3.61Å; L188-F190 HydrophobicContact CB-CE1 3.91Å; L188-F190 HydrophobicContact CD1-CD1 4.42Å; L188-F190 HydrophobicContact CD1-CE1 4.09Å; F190-Y192 HydrophobicContact CD2-CD1 4.29Å; F190-Y192 AromaticContact CE2-CD1 3.89Å; F190-Y192 HydrophobicContact CE2-CD1 3.89Å; F190-Y192 HydrophobicContact CE2-CG 4.36Å
191T91.2Very high82.7Confident62 Ų6278.7 Ų78.738%0.3840%0.396SS..EExtended strand (participates in β ladder)trans-102.6155.2172.759.70000109.5S151 H152 Y153S151-T191 PolarHBondContact O-N 2.8Å; S151-T191 VanDerWaalsContact O-O 3.1Å; H152-T191 CarbonylContact C-O 3.46Å; H152-T191 VanDerWaalsContact CA-O 3.27Å; H152-T191 WeakPolarHBondContact CA-O 3.46Å; H152-T191 PolarHBondContact ND1-OG1 2.78Å; Y153-T191 PolarHBondContact N-O 3.3Å
192Y91.5Very high80Confident64 Ų6487.7 Ų87.725%0.25143%0.431SS..EExtended strand (participates in β ladder)trans-147.3154.8-179.364-87.6000112.1Y153 I155 M178 I181 S185 F190 V194Y153-Y192 CarbonylContact O-C 3.55Å; Y153-Y192 WeakPolarHBondContact O-CA 3.24Å; Y153-Y192 VanDerWaalsContact O-CB 3.31Å; Y153-Y192 WeakPolarHBondContact O-CB 3.49Å; I155-Y192 HydrophobicContact CD1-CD2 3.8Å; I155-Y192 HydrophobicContact CD1-CG 3.8Å; M178-Y192 HydrophobicContact CE-CE2 4.24Å; I181-Y192 HydrophobicContact CG2-CE2 4.16Å; S185-Y192 WeakPolarHBondContact OG-CE1 3.41Å; F190-Y192 HydrophobicContact CD2-CD1 4.29Å; F190-Y192 AromaticContact CE2-CD1 3.89Å; F190-Y192 HydrophobicContact CE2-CD1 3.89Å; F190-Y192 HydrophobicContact CE2-CG 4.36Å; Y192-V194 HydrophobicContact CD2-CG2 3.73Å; Y192-V194 HydrophobicContact CE2-CG2 3.79Å
193E89.9Confident77.6Confident92 Ų9288.6 Ų88.643%0.4344%0.435SS..EExtended strand (participates in β ladder)trans-118.4144.316664.7173.1-166.600109.4Y153 R154 I155Y153-E193 PolarHBondContact O-N 3.45Å; R154-E193 HydrophobicContact CB-CG 4.2Å; R154-E193 WeakPolarHBondContact CD-OE1 3.41Å; R154-E193 HydrophobicContact CG-CG 3.99Å; R154-E193 VanDerWaalsContact CG-OE1 3.31Å; R154-E193 WeakPolarHBondContact CG-OE1 3.36Å; R154-E193 IonicContact NE-OE1 3.43Å; R154-E193 PolarHBondContact NE-OE1 3.23Å; I155-E193 WeakPolarHBondContact CB-O 3.26Å; I155-E193 PolarHBondContact N-O 3.05Å
194V88.4Confident75.3Confident24 Ų2489.2 Ų89.215%0.14543%0.434CS..EExtended strand (participates in β ladder)trans-113.2131.1177.8-175.80000108.9I155 Y173 M178 Y192I155-V194 HydrophobicContact CB-CG2 4.27Å; I155-V194 WeakPolarHBondContact O-CA 3.43Å; Y173-V194 HydrophobicContact CD1-CG1 4.46Å; Y173-V194 HydrophobicContact CD2-CB 3.84Å; Y173-V194 HydrophobicContact CD2-CG1 3.99Å; Y173-V194 HydrophobicContact CE2-CB 3.93Å; Y173-V194 HydrophobicContact CE2-CG1 4.09Å; Y173-V194 WeakPolarHBondContact CE2-O 3.32Å; Y173-V194 HydrophobicContact CG-CB 4.46Å; Y173-V194 HydrophobicContact CG-CG1 4.16Å; M178-V194 HydrophobicContact CE-CG2 3.85Å; M178-V194 HydrophobicContact SD-CG1 4.35Å; M178-V194 HydrophobicContact SD-CG2 4.09Å; Y192-V194 HydrophobicContact CD2-CG2 3.73Å; Y192-V194 HydrophobicContact CE2-CG2 3.79Å
195Y84.8Confident73.3Confident29 Ų2988.9 Ų88.911%0.11443%0.433CS..EExtended strand (participates in β ladder)trans-127147.3173.877.4-79.3000111.4R154 I155 A156 G157 V197 E222 A228R154-Y195 HydrophobicContact CG-CD1 3.7Å; R154-Y195 HydrophobicContact CG-CE1 3.67Å; I155-Y195 VanDerWaalsContact O-CD1 3.28Å; I155-Y195 WeakPolarHBondContact O-CD1 3.17Å; I155-Y195 PolarHBondContact O-N 2.63Å; A156-Y195 HydrophobicContact CB-CE1 4.03Å; G157-Y195 PolarHBondContact N-O 2.93Å; Y195-V197 HydrophobicContact CE2-CG2 4.41Å; Y195-V197 PolarHBondContact O-N 2.84Å; Y195-E222 PolarHBondContact OH-OE2 3.08Å; Y195-A228 HydrophobicContact CE1-CB 3.96Å; Y195-A228 WeakPolarHBondContact OH-CB 3.39Å
196D78.7Confident71.2Confident44 Ų4490.4 Ų90.424%0.23544%0.436CS..EExtended strand (participates in β ladder)trans-72.8122.6171.1-65.1-40000108.8I163 R171 Y173I163-D196 VanDerWaalsContact CD1-OD1 3.3Å; I163-D196 WeakPolarHBondContact CD1-OD1 3.04Å; R171-D196 IonicContact NH1-OD2 2.87Å; R171-D196 PolarHBondContact NH1-OD2 3.45Å; Y173-D196 VanDerWaalsContact CE1-OD1 3.26Å; Y173-D196 WeakPolarHBondContact CE1-OD1 3.49Å
197V75Confident68.9Low9 Ų987.3 Ų87.36%0.05542%0.421CS..  trans-63.6128167.5179.70000107.2A156 Y195 L199 I219 E222A156-V197 HydrophobicContact CB-CG2 3.6Å; Y195-V197 HydrophobicContact CE2-CG2 4.41Å; Y195-V197 PolarHBondContact O-N 2.84Å; V197-L199 VanDerWaalsContact C-N 3.34Å; V197-L199 PolarHBondContact O-N 3.25Å; V197-I219 HydrophobicContact CG2-CG1 4.4Å; V197-E222 HydrophobicContact CG1-CG 3.85Å; V197-E222 HydrophobicContact CG2-CG 4.25Å
198P65.1Low66.5Low98 Ų9883.8 Ų83.864%0.63641%0.405SS*.  trans-59.996.9178.920.8-30000110.3V200P198-V200 PolarHBondContact O-N 3.28Å
199L56.2Low64.3Low92 Ų9286.2 Ų86.248%0.48241%0.41SS..  trans-71.396.3-178.6-77.9155.3000109.3V197 Q201 L205V197-L199 VanDerWaalsContact C-N 3.34Å; V197-L199 PolarHBondContact O-N 3.25Å; L199-Q201 PolarHBondContact O-N 3.27Å; L199-L205 HydrophobicContact CD2-CD2 4.16Å
200V46.4Very low61.9Low102 Ų10281.7 Ų81.762%0.61839%0.391SS*.  trans-70.4100.2159-1770000106.8P198 Y217P198-V200 PolarHBondContact O-N 3.28Å; V200-Y217 HydrophobicContact CG2-CD1 4.41Å
201Q43.3Very low59.4Low164 Ų16488.4 Ų88.477%0.76643%0.425SS*.SBendtrans41.8100.4164.9-64.6177.9-0.200115.1L199 K203L199-Q201 PolarHBondContact O-N 3.27Å; Q201-K203 PolarHBondContact O-N 2.97Å
202Y35.9Very low56.9Low193 Ų19395.6 Ų95.676%0.75745%0.451SS*.SBendtrans-15.193.6155.1-71.6-89.5000113.3
203K41.4Very low54.5Low128 Ų12895.2 Ų95.256%0.55747%0.466SS*.SBendtrans172.8-9.9165.7-99.2165.1-174.6-136.50113.7Q201 E326Q201-K203 PolarHBondContact O-N 2.97Å; K203-E326 WeakPolarHBondContact CD-OE2 3.3Å; K203-E326 WeakPolarHBondContact CE-OE2 3.26Å; K203-E326 HydrophobicContact CG-CB 4.49Å; K203-E326 IonicContact NZ-OE2 3.05Å; K203-E326 PolarHBondContact NZ-OE2 2.63Å; K203-E326 VanDerWaalsContact O-O 3.07Å
204R47.2Very low52.6Low150 Ų15096.9 Ų96.957%0.56649%0.488SS*.  trans-136.363.7-172.8-66.5179.5168152.51.9114.1Y206 E208R204-Y206 VanDerWaalsContact C-N 3.31Å; R204-E208 WeakPolarHBondContact CD-OE2 3.33Å; R204-E208 IonicContact CZ-OE2 3.83Å; R204-E208 IonicContact NE-OE2 3.02Å; R204-E208 PolarHBondContact NE-OE2 2.82Å; R204-E208 IonicContact NH2-OE2 3.3Å
205L49.5Very low51Low49 Ų49102.4 Ų102.426%0.25751%0.51SS..  trans-83.5-7.1177.3-79.1165.8000113.7P159 L199P159-L205 HydrophobicContact CG-CD1 3.94Å; L199-L205 HydrophobicContact CD2-CD2 4.16Å
206Y49.7Very low49.6Very low45 Ų45104.8 Ų104.818%0.17652%0.524CS..SBendtrans-134.2142.1-172.8-51.2-76.8000110.1R204 E208 N234 I235R204-Y206 VanDerWaalsContact C-N 3.31Å; Y206-E208 PolarHBondContact O-N 3.31Å; Y206-N234 PolarHBondContact OH-O 3.13Å; Y206-I235 HydrophobicContact CD1-CD1 4.06Å; Y206-I235 HydrophobicContact CD1-CG1 4.05Å; Y206-I235 HydrophobicContact CE1-CB 4.12Å; Y206-I235 HydrophobicContact CE1-CD1 4.17Å; Y206-I235 HydrophobicContact CE1-CG1 3.82Å
207F47.3Very low48.7Very low52 Ų52109.1 Ų109.123%0.22854%0.538CS..  trans-12.885.5171.9-79.9-79.3000116V220 L244F207-V220 HydrophobicContact CE1-CG1 4.49Å; F207-V220 HydrophobicContact CE2-CB 4.06Å; F207-V220 HydrophobicContact CE2-CG1 3.81Å; F207-V220 HydrophobicContact CE2-CG2 3.91Å; F207-V220 HydrophobicContact CZ-CB 4.04Å; F207-V220 HydrophobicContact CZ-CG1 3.46Å; F207-V220 VanDerWaalsContact CZ-CG1 3.46Å; F207-V220 HydrophobicContact CZ-CG2 4.39Å; F207-L244 HydrophobicContact CD1-CD1 4.48Å; F207-L244 HydrophobicContact CE1-CD1 3.21Å; F207-L244 HydrophobicContact CZ-CB 4.47Å; F207-L244 HydrophobicContact CZ-CD1 3.39Å
208E43.4Very low48.4Very low85 Ų85109.6 Ų109.640%0.39754%0.544SS..  trans-110.2123.3157.9-151.9178.6178.600106.4R204 Y206 A210R204-E208 WeakPolarHBondContact CD-OE2 3.33Å; R204-E208 IonicContact CZ-OE2 3.83Å; R204-E208 IonicContact NE-OE2 3.02Å; R204-E208 PolarHBondContact NE-OE2 2.82Å; R204-E208 IonicContact NH2-OE2 3.3Å; Y206-E208 PolarHBondContact O-N 3.31Å; E208-A210 PolarHBondContact O-N 2.93Å
209K45.3Very low48.9Very low176 Ų176105.1 Ų105.177%0.76552%0.515SS*.  trans-54.799.1155.5-91.3180173.5176.10104.6M211K209-M211 HydrophobicContact CB-CG 4.46Å; K209-M211 PolarHBondContact O-N 2.92Å
210A40.1Very low49.9Very low37 Ų37101.1 Ų101.131%0.30650%0.495SS..  trans-63.383.2159.300000105.7E208 K212E208-A210 PolarHBondContact O-N 2.93Å; A210-K212 PolarHBondContact O-N 3.2Å
211M38.1Very low51.3Low162 Ų16297 Ų9780%0.79847%0.47SS*.SBendtrans-67.275.9167.4-94.4-168.5171.800106.8K209K209-M211 HydrophobicContact CB-CG 4.46Å; K209-M211 PolarHBondContact O-N 2.92Å
212K38.6Very low52.9Low212 Ų21290.6 Ų90.692%0.92244%0.44SS*.SBendtrans174.579.8159-99.1170.5-175-175.10107.4A210A210-K212 PolarHBondContact O-N 3.2Å
213G39.8Very low55.2Low56 Ų5683.4 Ų83.458%0.57741%0.414SS*.SBendtrans98.8132.2-177.300000111.8K215G213-K215 PolarHBondContact O-N 2.88Å
214S51.2Low57.2Low127 Ų12782.8 Ų82.889%0.88841%0.413SS*.SBendtrans-64.721-169.659.70000116.6
215K53.3Low58.6Low141 Ų14181.6 Ų81.661%0.61341%0.414SS*.  trans-102.6115.4-176-67.9-167.8177.7-171.10110.2G213 Y217G213-K215 PolarHBondContact O-N 2.88Å; K215-Y217 HydrophobicContact CB-CE2 3.97Å; K215-Y217 WeakPolarHBondContact O-CE2 3.31Å
216I56.5Low60.2Low78 Ų7881.7 Ų81.740%0.443%0.427SS..  trans-88130.4170.3-51.4175.8000106.1P221I216-P221 HydrophobicContact CB-CG 3.73Å; I216-P221 HydrophobicContact CG2-CG 3.45Å; I216-P221 VanDerWaalsContact CG2-CG 3.45Å; I216-P221 WeakPolarHBondContact O-CB 3.24Å; I216-P221 WeakPolarHBondContact O-CG 3.1Å
217Y59.1Low61.7Low136 Ų13682.3 Ų82.353%0.53343%0.433SS..  trans-107.9153.3178.2-60.7-85.8000109.9V200 K215V200-Y217 HydrophobicContact CG2-CD1 4.41Å; K215-Y217 HydrophobicContact CB-CE2 3.97Å; K215-Y217 WeakPolarHBondContact O-CE2 3.31Å
218G68.4Low63.5Low18 Ų1880 Ų8019%0.18642%0.424CS..SBendtrans125.8-169.3176.300000112.4P221 E222G218-P221 WeakPolarHBondContact O-CD 3.28Å; G218-E222 WeakPolarHBondContact O-CG 3.27Å
219I76.3Confident65.6Low5 Ų580.4 Ų80.43%0.02643%0.429CS..Hα-helixtrans-78.7-28.7-175.7-160.4159.8000113.6A156 A158 V197 E222 L223 A231 A233 I235A156-I219 HydrophobicContact CB-CD1 3.97Å; A156-I219 HydrophobicContact CB-CG1 3.92Å; A158-I219 HydrophobicContact CB-CD1 4Å; V197-I219 HydrophobicContact CG2-CG1 4.4Å; I219-E222 PolarHBondContact O-N 3.11Å; I219-L223 PolarHBondContact O-N 3.09Å; I219-A231 HydrophobicContact CD1-CB 3.47Å; I219-A231 VanDerWaalsContact CD1-CB 3.47Å; I219-A231 HydrophobicContact CG1-CB 3.57Å; I219-A233 HydrophobicContact CD1-CB 3.74Å; I219-I235 HydrophobicContact CG2-CD1 4.08Å
220V78Confident67.8Low8 Ų874.6 Ų74.65%0.04841%0.406CS..Hα-helixtrans-69.3-44-179.2-178.70000112.1F207 E222 L223 H224 I235 L244 V245F207-V220 HydrophobicContact CE1-CG1 4.49Å; F207-V220 HydrophobicContact CE2-CB 4.06Å; F207-V220 HydrophobicContact CE2-CG1 3.81Å; F207-V220 HydrophobicContact CE2-CG2 3.91Å; F207-V220 HydrophobicContact CZ-CB 4.04Å; F207-V220 HydrophobicContact CZ-CG1 3.46Å; F207-V220 VanDerWaalsContact CZ-CG1 3.46Å; F207-V220 HydrophobicContact CZ-CG2 4.39Å; V220-E222 VanDerWaalsContact C-N 3.31Å; V220-E222 PolarHBondContact O-N 2.53Å; V220-L223 PolarHBondContact O-N 3.02Å; V220-H224 WeakPolarHBondContact O-CB 3.49Å; V220-H224 PolarHBondContact O-N 3Å; V220-I235 HydrophobicContact CG2-CD1 3.52Å; V220-L244 HydrophobicContact CG1-CB 4.18Å; V220-V245 HydrophobicContact CG1-CB 4.43Å; V220-V245 HydrophobicContact CG1-CG1 3.8Å; V220-V245 HydrophobicContact CG1-CG2 3.74Å; V220-V245 HydrophobicContact CG2-CG2 4.45Å
221P75.3Confident70.1Confident15 Ų1574.3 Ų74.310%0.09740%0.403CS..Hα-helixtrans-58.4-39171.1-26.735.9000113.7I216 G218 L223 H224 E225I216-P221 HydrophobicContact CB-CG 3.73Å; I216-P221 HydrophobicContact CG2-CG 3.45Å; I216-P221 VanDerWaalsContact CG2-CG 3.45Å; I216-P221 WeakPolarHBondContact O-CB 3.24Å; I216-P221 WeakPolarHBondContact O-CG 3.1Å; G218-P221 WeakPolarHBondContact O-CD 3.28Å; P221-L223 VanDerWaalsContact C-N 3.27Å; P221-L223 PolarHBondContact O-N 3.48Å; P221-H224 PolarHBondContact O-N 3.39Å; P221-E225 WeakPolarHBondContact O-CB 3.27Å; P221-E225 WeakPolarHBondContact O-CG 3.09Å; P221-E225 PolarHBondContact O-N 2.98Å
222E77.5Confident72.4Confident30 Ų3067.6 Ų67.614%0.1437%0.37CS..Hα-helixtrans-60.8-37.3178.3-70.1-72.1133.200112.4Y195 V197 G218 I219 V220 G226 N227 A228Y195-E222 PolarHBondContact OH-OE2 3.08Å; V197-E222 HydrophobicContact CG1-CG 3.85Å; V197-E222 HydrophobicContact CG2-CG 4.25Å; G218-E222 WeakPolarHBondContact O-CG 3.27Å; I219-E222 PolarHBondContact O-N 3.11Å; V220-E222 VanDerWaalsContact C-N 3.31Å; V220-E222 PolarHBondContact O-N 2.53Å; E222-G226 PolarHBondContact O-N 3.04Å; E222-N227 WeakPolarHBondContact O-CB 3.01Å; E222-N227 PolarHBondContact O-N 2.8Å; E222-N227 VanDerWaalsContact OE2-CB 3.24Å; E222-N227 WeakPolarHBondContact OE2-CB 3.04Å; E222-A228 PolarHBondContact O-N 2.97Å
223L84.2Confident74.3Confident41 Ų4158.7 Ų58.722%0.21534%0.336CS..Hα-helixtrans-71.4-46.2172.9-73.4173.3000111.9I219 V220 P221 E225 G226 A228 A231 V245I219-L223 PolarHBondContact O-N 3.09Å; V220-L223 PolarHBondContact O-N 3.02Å; P221-L223 VanDerWaalsContact C-N 3.27Å; P221-L223 PolarHBondContact O-N 3.48Å; L223-E225 PolarHBondContact O-N 3.38Å; L223-G226 PolarHBondContact O-N 2.91Å; L223-G226 VanDerWaalsContact O-N 3.12Å; L223-A228 HydrophobicContact CD2-CB 4Å; L223-A231 HydrophobicContact CD1-CB 3.49Å; L223-A231 VanDerWaalsContact CD1-CB 3.49Å; L223-A231 HydrophobicContact CD2-CB 4.06Å; L223-A231 HydrophobicContact CG-CB 3.92Å; L223-V245 HydrophobicContact CB-CG1 3.59Å; L223-V245 HydrophobicContact CD1-CB 4.34Å; L223-V245 HydrophobicContact CD1-CG1 4.02Å
224H81.7Confident76.1Confident115 Ų11558.8 Ų58.853%0.53232%0.323SS..Hα-helixtrans-65-36.8-178.2175.3-91.6000112.8V220 P221 G226V220-H224 WeakPolarHBondContact O-CB 3.49Å; V220-H224 PolarHBondContact O-N 3Å; P221-H224 PolarHBondContact O-N 3.39Å; H224-G226 PolarHBondContact O-N 3.24Å
225E78.1Confident77.3Confident125 Ų12554.4 Ų54.458%0.58429%0.29SS*.THydrogen-bonded Turntrans-76.5-10.3175.9-68.9-179.9-179.100112.9P221 L223 N227P221-E225 WeakPolarHBondContact O-CB 3.27Å; P221-E225 WeakPolarHBondContact O-CG 3.09Å; P221-E225 PolarHBondContact O-N 2.98Å; L223-E225 PolarHBondContact O-N 3.38Å; E225-N227 VanDerWaalsContact C-N 3.32Å; E225-N227 PolarHBondContact OE2-ND2 2.85Å; E225-N227 VanDerWaalsContact OE2-ND2 3.13Å
226G82.4Confident78.4Confident52 Ų5252.3 Ų52.354%0.53628%0.282SS..THydrogen-bonded Turntrans77.515.1-177.400000114.2E222 L223 H224 A228E222-G226 PolarHBondContact O-N 3.04Å; L223-G226 PolarHBondContact O-N 2.91Å; L223-G226 VanDerWaalsContact O-N 3.12Å; H224-G226 PolarHBondContact O-N 3.24Å; G226-A228 VanDerWaalsContact C-N 3.34Å
227N80.4Confident79.5Confident58 Ų5851.1 Ų51.131%0.3128%0.279SS..SBendtrans-70.2-33.5174.5-64.6-29.6000111.2R154 E222 E225R154-N227 VanDerWaalsContact CD-O 3.24Å; R154-N227 WeakPolarHBondContact CD-O 3.3Å; R154-N227 PolarHBondContact NH1-O 3.04Å; E222-N227 WeakPolarHBondContact O-CB 3.01Å; E222-N227 PolarHBondContact O-N 2.8Å; E222-N227 VanDerWaalsContact OE2-CB 3.24Å; E222-N227 WeakPolarHBondContact OE2-CB 3.04Å; E225-N227 VanDerWaalsContact C-N 3.32Å; E225-N227 PolarHBondContact OE2-ND2 2.85Å; E225-N227 VanDerWaalsContact OE2-ND2 3.13Å
228A84.9Confident80.2Confident3 Ų346.8 Ų46.83%0.02527%0.267CS..  trans-116.5152.1169.800000111.2A156 Y195 E222 L223 G226A156-A228 HydrophobicContact CB-CB 3.7Å; Y195-A228 HydrophobicContact CE1-CB 3.96Å; Y195-A228 WeakPolarHBondContact OH-CB 3.39Å; E222-A228 PolarHBondContact O-N 2.97Å; L223-A228 HydrophobicContact CD2-CB 4Å; G226-A228 VanDerWaalsContact C-N 3.34Å
229N89Confident80.7Confident94 Ų9449.8 Ų49.850%0.50329%0.285SS..SBendtrans-93.9-34.4169.3-53.9114.7000112.3Y153 R154Y153-N229 HydrophobicContact CD1-CB 3.79Å; R154-N229 WeakPolarHBondContact CB-OD1 3.4Å; R154-N229 PolarHBondContact N-OD1 3.22Å; R154-N229 PolarHBondContact O-N 3.35Å
230I90.7Very high80.6Confident54 Ų5451 Ų5128%0.27730%0.296SS..EExtended strand (participates in β ladder)trans-135.4142.5-179.8-59.7173.5000108.4Y153 R154 I155 A156Y153-I230 HydrophobicContact CD1-CD1 4.24Å; Y153-I230 HydrophobicContact CG-CD1 4.11Å; R154-I230 PolarHBondContact O-N 2.82Å; I155-I230 CarbonylContact C-O 3.59Å; I155-I230 VanDerWaalsContact CA-O 3.27Å; I155-I230 WeakPolarHBondContact CA-O 3.18Å; I155-I230 HydrophobicContact CG1-CB 4.31Å; A156-I230 PolarHBondContact N-O 3.05Å
231A87.7Confident80.5Confident30 Ų3050.7 Ų50.725%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-112.5126.6173.100000109.9I219 L223I219-A231 HydrophobicContact CD1-CB 3.47Å; I219-A231 VanDerWaalsContact CD1-CB 3.47Å; I219-A231 HydrophobicContact CG1-CB 3.57Å; L223-A231 HydrophobicContact CD1-CB 3.49Å; L223-A231 VanDerWaalsContact CD1-CB 3.49Å; L223-A231 HydrophobicContact CD2-CB 4.06Å; L223-A231 HydrophobicContact CG-CB 3.92Å
232L87Confident80.9Confident21 Ų2155.4 Ų55.411%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-105.8101.5169.8-66.1175.7000108.4I155 A156 A158 C177 I181I155-L232 HydrophobicContact CG2-CB 4.31Å; I155-L232 HydrophobicContact CG2-CD1 3.66Å; I155-L232 HydrophobicContact CG2-CG 3.7Å; A156-L232 PolarHBondContact O-N 2.75Å; A158-L232 PolarHBondContact N-O 3.13Å; A158-L232 VanDerWaalsContact O-O 3.07Å; C177-L232 HydrophobicContact CB-CB 4.15Å; C177-L232 HydrophobicContact CB-CD1 4.41Å; I181-L232 HydrophobicContact CB-CD1 3.6Å; I181-L232 HydrophobicContact CD1-CD1 4.41Å; I181-L232 HydrophobicContact CG1-CD1 4.04Å; I181-L232 HydrophobicContact CG2-CD1 3.72Å
233A79.9Confident81.2Confident25 Ų2561.2 Ų61.221%0.20735%0.346CS..SBendtrans-151.8160.4178.300000113.4A158 I219 I235A158-A233 WeakPolarHBondContact O-CA 3.41Å; A158-A233 WeakPolarHBondContact O-CB 3.29Å; I219-A233 HydrophobicContact CD1-CB 3.74Å; A233-I235 HydrophobicContact CB-CG2 4.28Å; A233-I235 PolarHBondContact O-N 2.93Å
234N77.5Confident80.9Confident58 Ų5862.4 Ų62.431%0.3135%0.352SS..  trans-77.760.7166.266.3-31000111.9P159 F160 Y206P159-N234 VanDerWaalsContact CD-OD1 3.27Å; P159-N234 WeakPolarHBondContact CD-OD1 3.49Å; P159-N234 WeakPolarHBondContact CG-OD1 3.2Å; F160-N234 HydrophobicContact CD2-CB 3.49Å; F160-N234 VanDerWaalsContact CD2-CB 3.49Å; F160-N234 HydrophobicContact CE2-CB 3.27Å; F160-N234 VanDerWaalsContact CE2-CG 3.4Å; F160-N234 WeakPolarHBondContact CE2-ND2 3.5Å; F160-N234 HydrophobicContact CZ-CB 4.48Å; Y206-N234 PolarHBondContact OH-O 3.13Å
235I76.1Confident81Confident36 Ų3657.6 Ų57.619%0.18533%0.331CS..PPolyproline II helixtrans-101.5128.7176.6-175.1155000110.1Y206 I219 V220 A233 F247Y206-I235 HydrophobicContact CD1-CD1 4.06Å; Y206-I235 HydrophobicContact CD1-CG1 4.05Å; Y206-I235 HydrophobicContact CE1-CB 4.12Å; Y206-I235 HydrophobicContact CE1-CD1 4.17Å; Y206-I235 HydrophobicContact CE1-CG1 3.82Å; I219-I235 HydrophobicContact CG2-CD1 4.08Å; V220-I235 HydrophobicContact CG2-CD1 3.52Å; A233-I235 HydrophobicContact CB-CG2 4.28Å; A233-I235 PolarHBondContact O-N 2.93Å; I235-F247 HydrophobicContact CD1-CE1 4.46Å; I235-F247 HydrophobicContact CD1-CZ 4.46Å; I235-F247 HydrophobicContact CG1-CE1 4.1Å; I235-F247 HydrophobicContact CG1-CZ 4.4Å; I235-F247 HydrophobicContact CG2-CE1 3.83Å
236H75.4Confident81.6Confident96 Ų9659.5 Ų59.544%0.44435%0.345SS..PPolyproline II helixtrans-80.9136.5170-66.8-84.2000109.1T238H236-T238 PolarHBondContact O-N 2.82Å
237P79.1Confident81.9Confident53 Ų5360 Ų6034%0.34433%0.333SS..PPolyproline II helixtrans-59.9129.1170.925.7-32000108.5F247P237-F247 HydrophobicContact CB-CB 4.2Å; P237-F247 HydrophobicContact CB-CD1 4.29Å; P237-F247 HydrophobicContact CB-CD2 3.96Å; P237-F247 HydrophobicContact CB-CE2 4.42Å; P237-F247 HydrophobicContact CB-CG 3.89Å
238T75.8Confident82.3Confident45 Ų4562.8 Ų62.828%0.27635%0.352SS..  trans-125.1149.4174.660.20000107.9H236 A240 G241 E242H236-T238 PolarHBondContact O-N 2.82Å; T238-A240 PolarHBondContact O-N 2.99Å; T238-A240 VanDerWaalsContact O-N 3.12Å; T238-G241 CarbonylContact O-C 3.57Å; T238-G241 WeakPolarHBondContact O-CA 3.42Å; T238-G241 PolarHBondContact O-N 3.3Å; T238-G241 PolarHBondContact OG1-N 3.17Å; T238-E242 PolarHBondContact O-N 3.39Å
239S78.7Confident82.3Confident81 Ų8170 Ų7057%0.56639%0.388SS*.Hα-helixtrans-57.1-32.4-178.958.70000113.8L243S239-L243 WeakPolarHBondContact O-CG 3.49Å
240A72.9Confident82Confident32 Ų3269.4 Ų69.426%0.26439%0.39SS..Hα-helixtrans-73.2-30.2174.100000112.9T238T238-A240 PolarHBondContact O-N 2.99Å; T238-A240 VanDerWaalsContact O-N 3.12Å
241G75.9Confident81.5Confident0 Ų072.8 Ų72.80%040%0.403CS..Hα-helixtrans-74.4-40.6175.800000113.2T238 L243 L244 V245T238-G241 CarbonylContact O-C 3.57Å; T238-G241 WeakPolarHBondContact O-CA 3.42Å; T238-G241 PolarHBondContact O-N 3.3Å; T238-G241 PolarHBondContact OG1-N 3.17Å; G241-L243 PolarHBondContact O-N 2.94Å; G241-L244 PolarHBondContact O-N 3.2Å; G241-V245 PolarHBondContact O-N 2.91Å
242E84.3Confident80.9Confident114 Ų11479 Ų7953%0.53342%0.421SS..Hα-helixtrans-61.9-23.5177.2-72.3175.5174.200112.8T238 L244 V245 F247T238-E242 PolarHBondContact O-N 3.39Å; E242-L244 PolarHBondContact O-N 3.4Å; E242-V245 WeakPolarHBondContact CA-O 3.47Å; E242-F247 HydrophobicContact CG-CD2 3.89Å; E242-F247 HydrophobicContact CG-CE2 4.26Å
243L83.2Confident80Confident153 Ų15386.4 Ų86.480%0.80146%0.455SS*.THydrogen-bonded Turntrans-72.3-16.6172.9-69.2173.5000113.6S239 G241S239-L243 WeakPolarHBondContact O-CG 3.49Å; G241-L243 PolarHBondContact O-N 2.94Å
244L78.2Confident79Confident66 Ų6692.1 Ų92.135%0.34648%0.482SS..THydrogen-bonded Turntrans-116.4-31.8-173.2-72.7162.2000113.1F207 V220 G241 E242F207-L244 HydrophobicContact CD1-CD1 4.48Å; F207-L244 HydrophobicContact CE1-CD1 3.21Å; F207-L244 HydrophobicContact CZ-CB 4.47Å; F207-L244 HydrophobicContact CZ-CD1 3.39Å; V220-L244 HydrophobicContact CG1-CB 4.18Å; G241-L244 PolarHBondContact O-N 3.2Å; E242-L244 PolarHBondContact O-N 3.4Å
245V84.5Confident78.3Confident14 Ų1494 Ų949%0.08550%0.495CS..SBendtrans-143.9148.7-178.9-630000110.8V220 L223 G241 E242 F247V220-V245 HydrophobicContact CG1-CB 4.43Å; V220-V245 HydrophobicContact CG1-CG1 3.8Å; V220-V245 HydrophobicContact CG1-CG2 3.74Å; V220-V245 HydrophobicContact CG2-CG2 4.45Å; L223-V245 HydrophobicContact CB-CG1 3.59Å; L223-V245 HydrophobicContact CD1-CB 4.34Å; L223-V245 HydrophobicContact CD1-CG1 4.02Å; G241-V245 PolarHBondContact O-N 2.91Å; E242-V245 WeakPolarHBondContact CA-O 3.47Å; V245-F247 HydrophobicContact CG2-CD2 4.42Å; V245-F247 HydrophobicContact CG2-CE2 3.75Å; V245-F247 HydrophobicContact CG2-CZ 3.82Å
246D90.1Very high78Confident164 Ų16495 Ų9588%0.87752%0.515SS*.PPolyproline II helixtrans-81.9134.2172.8-65.7-34.7000110.6
247F88.1Confident77.9Confident63 Ų6395 Ų9528%0.27652%0.517SS..PPolyproline II helixtrans-102147.1173.1-69.6-87.1000111I235 P237 E242 V245I235-F247 HydrophobicContact CD1-CE1 4.46Å; I235-F247 HydrophobicContact CD1-CZ 4.46Å; I235-F247 HydrophobicContact CG1-CE1 4.1Å; I235-F247 HydrophobicContact CG1-CZ 4.4Å; I235-F247 HydrophobicContact CG2-CE1 3.83Å; P237-F247 HydrophobicContact CB-CB 4.2Å; P237-F247 HydrophobicContact CB-CD1 4.29Å; P237-F247 HydrophobicContact CB-CD2 3.96Å; P237-F247 HydrophobicContact CB-CE2 4.42Å; P237-F247 HydrophobicContact CB-CG 3.89Å; E242-F247 HydrophobicContact CG-CD2 3.89Å; E242-F247 HydrophobicContact CG-CE2 4.26Å; V245-F247 HydrophobicContact CG2-CD2 4.42Å; V245-F247 HydrophobicContact CG2-CE2 3.75Å; V245-F247 HydrophobicContact CG2-CZ 3.82Å
248T88.7Confident77.9Confident116 Ų11696.2 Ų96.271%0.71253%0.532SS*.PPolyproline II helixtrans-77.9165.8166.958.30000110.7
249I86.1Confident77.9Confident154 Ų15496.5 Ų96.579%0.7954%0.539SS*.PPolyproline II helixtrans-55.7129.9169.6-57.5170.5000108.5F251I249-F251 PolarHBondContact O-N 3.43Å
250P82.5Confident78.1Confident82 Ų82101 Ų10153%0.53256%0.556SS.*PPolyproline II helixtrans-56.1124.7175.6-23.232.4000110.5
251F80Confident78.3Confident125 Ų125105.1 Ų105.155%0.54857%0.572SS.*  trans-99.9-9.9-178.362.3-99.9000113.4Y176 L180 I249Y176-F251 AromaticContact CE1-CE2 3.71Å; Y176-F251 HydrophobicContact CE1-CE2 3.71Å; Y176-F251 HydrophobicContact CE1-CZ 4.43Å; L180-F251 HydrophobicContact CD2-CE1 4.16Å; L180-F251 HydrophobicContact CD2-CE2 4.16Å; L180-F251 HydrophobicContact CD2-CZ 3.92Å; I249-F251 PolarHBondContact O-N 3.43Å
252Y75.4Confident78.4Confident160 Ų160114.3 Ų114.363%0.62761%0.612SS**SBendtrans-106131.1174.7-159.7-98000107.8V255Y252-V255 HydrophobicContact CD1-CG2 3.95Å; Y252-V255 HydrophobicContact CE1-CG2 3.48Å; Y252-V255 VanDerWaalsContact CE1-CG2 3.48Å
253E66.6Low78.1Confident177 Ų177116.4 Ų116.483%0.82763%0.625SS**  trans-58.5146180-69.2179.2176.800110.7V255E253-V255 PolarHBondContact O-N 2.94Å
254D59Low77.5Confident146 Ų146113.3 Ų113.378%0.78162%0.617SS**  trans-58.695-176.9-76.4-35.7000110.5G256D254-G256 VanDerWaalsContact C-N 3.32Å; D254-G256 PolarHBondContact O-N 2.82Å
255V64.4Low76.9Confident97 Ų97120 Ų12059%0.58864%0.643SS**  trans-67.6103.4160.8-162.40000105Y252 E253Y252-V255 HydrophobicContact CD1-CG2 3.95Å; Y252-V255 HydrophobicContact CE1-CG2 3.48Å; Y252-V255 VanDerWaalsContact CE1-CG2 3.48Å; E253-V255 PolarHBondContact O-N 2.94Å
256G68.8Low75.8Confident57 Ų57125.5 Ų125.559%0.58867%0.668SS**  trans-56.9178.2169.800000111.6D254 A258D254-G256 VanDerWaalsContact C-N 3.32Å; D254-G256 PolarHBondContact O-N 2.82Å; G256-A258 PolarHBondContact O-N 2.78Å
257L74.5Confident74.3Confident95 Ų95122.5 Ų122.550%0.49766%0.659SS.*  trans-62.7113.7172.2-70.8160.1000109.1S330 Y333 F334L257-S330 WeakPolarHBondContact CD2-OG 3.49Å; L257-Y333 HydrophobicContact CD1-CD1 4.01Å; L257-Y333 HydrophobicContact CD1-CE1 3.93Å; L257-F334 HydrophobicContact CD1-CE2 3.89Å; L257-F334 HydrophobicContact CD1-CZ 3.76Å; L257-F334 HydrophobicContact CD2-CE2 4.02Å
258A77.5Confident72.9Confident79 Ų79125.6 Ų125.665%0.65368%0.679SS**  trans-109.2135.9176.300000110.5G256G256-A258 PolarHBondContact O-N 2.78Å
259A77.3Confident71.9Confident52 Ų52123 Ų12343%0.4367%0.67SS.*  trans-87.8121.1171.200000109.6L314A259-L314 HydrophobicContact CB-CD1 3.86Å
260L81Confident71.1Confident176 Ų176122 Ų12292%0.92167%0.665SS**  trans-91.3112.3173.1-73165.1000109.2
261I77.8Confident70.6Confident117 Ų117126.6 Ų126.660%0.667%0.672SS**  trans-112.5138.7178.3-55.3170.8000108.9I263 L314I261-I263 PolarHBondContact O-N 3.16Å; I261-L314 HydrophobicContact CD1-CD1 4.39Å; I261-L314 HydrophobicContact CD1-CD2 4.46Å
262K79.3Confident70.1Confident193 Ų193124.9 Ų124.984%0.83967%0.666SS**  trans-74.5116.7171.9-176.6-178179.7-177.30109.1S264K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.14Å
263I77.5Confident69.9Low158 Ų158123.1 Ų123.181%0.8166%0.662SS**  trans-64.2113.9170.6-56.8171.5000108.4I261I261-I263 PolarHBondContact O-N 3.16Å
264S69.1Low70.2Confident89 Ų89118.7 Ų118.762%0.62264%0.643SS**  trans-80122.7171.449.30000109.7K262 E266K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.14Å; S264-E266 PolarHBondContact O-N 2.83Å; S264-E266 VanDerWaalsContact O-N 3.1Å
265K66.2Low71Confident206 Ų206118.8 Ų118.890%0.89664%0.643SS**  trans-72.2101.2167.1-70.2-178.1178.3-179.40108S267K265-S267 PolarHBondContact O-N 2.79Å
266E62.1Low71.7Confident129 Ų129121.3 Ų121.360%0.60365%0.651SS**  trans-53.1124.1169.4-76.8-90.1148.800109.5S264 N268 Q272S264-E266 PolarHBondContact O-N 2.83Å; S264-E266 VanDerWaalsContact O-N 3.1Å; E266-N268 PolarHBondContact O-N 3.01Å; E266-Q272 PolarHBondContact OE2-NE2 3.14Å
267S58.6Low72.3Confident101 Ų101121.5 Ų121.571%0.70664%0.638SS**  trans-83.5112.3177.91320000109.1K265K265-S267 PolarHBondContact O-N 2.79Å
268N58.7Low72.6Confident128 Ų128123.9 Ų123.968%0.68465%0.647SS**  trans48.376.7167.1-63.4-22.1000115.8E266 L270E266-N268 PolarHBondContact O-N 3.01Å; N268-L270 PolarHBondContact O-N 2.84Å
269A66.6Low72.8Confident63 Ų63130.8 Ų130.852%0.52166%0.656SS.*THydrogen-bonded Turntrans-60.1-7.5172.600000115.3W271 Q272A269-W271 PolarHBondContact O-N 2.9Å; A269-W271 VanDerWaalsContact O-N 3.1Å; A269-Q272 PolarHBondContact O-N 2.88Å
270L70.8Confident73.2Confident133 Ų133132.9 Ų132.970%0.69667%0.665SS**THydrogen-bonded Turntrans-65.5-14.4-174.9-66.9178.4000114.5N268 F273N268-L270 PolarHBondContact O-N 2.84Å; L270-F273 VanDerWaalsContact O-CD1 3.3Å; L270-F273 WeakPolarHBondContact O-CD1 3.13Å; L270-F273 WeakPolarHBondContact O-CE1 3.31Å
271W70.5Confident73.3Confident177 Ų177128 Ų12867%0.6764%0.643SS**THydrogen-bonded Turntrans-120.7-6.1179.1-58.9112.7000114.1A269 F273 L274A269-W271 PolarHBondContact O-N 2.9Å; A269-W271 VanDerWaalsContact O-N 3.1Å; W271-F273 PolarHBondContact O-N 3.04Å; W271-L274 HydrophobicContact CE3-CD1 3.46Å; W271-L274 VanDerWaalsContact CE3-CD1 3.46Å; W271-L274 HydrophobicContact CE3-CG 4.35Å; W271-L274 HydrophobicContact CZ3-CD1 3.78Å; W271-L274 PolarHBondContact O-N 2.73Å; W271-L274 VanDerWaalsContact O-N 3.08Å
272Q70.7Confident73.6Confident89 Ų89123.3 Ų123.342%0.41662%0.622SS.*Hα-helixtrans-62-29.6-180-70.9-179.4-5.200111.9E266 A269 L274 L275E266-Q272 PolarHBondContact OE2-NE2 3.14Å; A269-Q272 PolarHBondContact O-N 2.88Å; Q272-L274 PolarHBondContact O-N 3.34Å; Q272-L275 WeakPolarHBondContact O-CB 3.27Å; Q272-L275 PolarHBondContact O-N 3.5Å
273F71.3Confident73.9Confident124 Ų124120 Ų12054%0.54461%0.613SS.*Hα-helixtrans-63.9-27.9177.276.9-98.6000113.4L270 W271 L275L270-F273 VanDerWaalsContact O-CD1 3.3Å; L270-F273 WeakPolarHBondContact O-CD1 3.13Å; L270-F273 WeakPolarHBondContact O-CE1 3.31Å; W271-F273 PolarHBondContact O-N 3.04Å; F273-L275 VanDerWaalsContact C-N 3.32Å
274L73.4Confident74.3Confident84 Ų84116.6 Ų116.644%0.4460%0.602SS.*Hα-helixtrans-75.5-21.9178.2-69.1-179000112.7W271 Q272 I276W271-L274 HydrophobicContact CE3-CD1 3.46Å; W271-L274 VanDerWaalsContact CE3-CD1 3.46Å; W271-L274 HydrophobicContact CE3-CG 4.35Å; W271-L274 HydrophobicContact CZ3-CD1 3.78Å; W271-L274 PolarHBondContact O-N 2.73Å; W271-L274 VanDerWaalsContact O-N 3.08Å; Q272-L274 PolarHBondContact O-N 3.34Å; L274-I276 VanDerWaalsContact C-N 3.29Å; L274-I276 PolarHBondContact O-N 3.44Å
275L75.2Confident75Confident148 Ų148114.9 Ų114.978%0.77559%0.587SS**Hα-helixtrans-71.6-24.1-179.4-72.1169000113Q272 F273Q272-L275 WeakPolarHBondContact O-CB 3.27Å; Q272-L275 PolarHBondContact O-N 3.5Å; F273-L275 VanDerWaalsContact C-N 3.32Å
276I78.2Confident75.9Confident149 Ų149109.1 Ų109.176%0.76457%0.569SS**THydrogen-bonded Turntrans-78.2-23.3-178.3-70.4167.1000111.7L274L274-I276 VanDerWaalsContact C-N 3.29Å; L274-I276 PolarHBondContact O-N 3.44Å
277I82Confident77.1Confident62 Ų62106.7 Ų106.732%0.31856%0.563SS.*SBendtrans-100.7122.6-173.4-70.3177.8000110.2W279 V281 A282I277-W279 PolarHBondContact O-N 3.07Å; I277-V281 HydrophobicContact CG2-CB 4.1Å; I277-V281 HydrophobicContact CG2-CG1 4.23Å; I277-A282 HydrophobicContact CG2-CB 3.49Å; I277-A282 VanDerWaalsContact CG2-CB 3.49Å
278E81.8Confident78.3Confident144 Ų144105 Ų10567%0.67355%0.552SS**  trans-61.4135.2169.7-64.7-177.4165.900110.6P280 V281 A282E278-P280 VanDerWaalsContact C-CD 3.43Å; E278-P280 VanDerWaalsContact O-N 3.11Å; E278-V281 HydrophobicContact CB-CG2 4.36Å; E278-V281 CarbonylContact O-C 3.42Å; E278-V281 WeakPolarHBondContact O-CA 3.49Å; E278-V281 WeakPolarHBondContact O-CB 3.4Å; E278-V281 PolarHBondContact O-N 3.01Å; E278-A282 PolarHBondContact O-N 3.43Å
279W80.9Confident79.4Confident224 Ų224102.5 Ų102.585%0.84854%0.54SS*.Hα-helixtrans-42.5-46.1-176.5-76.3107.8000116.6I277 A282 L283I277-W279 PolarHBondContact O-N 3.07Å; W279-A282 WeakPolarHBondContact O-CB 3.45Å; W279-A282 PolarHBondContact O-N 2.97Å; W279-L283 PolarHBondContact O-N 3.39Å
280P84.7Confident80.2Confident96 Ų96104.8 Ų104.862%0.62354%0.543SS*.Hα-helixtrans-66.8-36177.523.2-32.1000113E278 A282 C284E278-P280 VanDerWaalsContact C-CD 3.43Å; E278-P280 VanDerWaalsContact O-N 3.11Å; P280-A282 VanDerWaalsContact C-N 3.35Å; P280-C284 PolarHBondContact O-N 2.79Å
281V84.9Confident80.7Confident74 Ų74103.6 Ų103.645%0.44854%0.537SS..Hα-helixtrans-69.2-37.4174.5-177.40000109.8I277 E278 L283 C284 T285I277-V281 HydrophobicContact CG2-CB 4.1Å; I277-V281 HydrophobicContact CG2-CG1 4.23Å; E278-V281 HydrophobicContact CB-CG2 4.36Å; E278-V281 CarbonylContact O-C 3.42Å; E278-V281 WeakPolarHBondContact O-CA 3.49Å; E278-V281 WeakPolarHBondContact O-CB 3.4Å; E278-V281 PolarHBondContact O-N 3.01Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 2.68Å; V281-C284 PolarHBondContact O-N 2.72Å; V281-T285 HydrophobicContact CG1-CG2 4.03Å; V281-T285 VanDerWaalsContact O-CG2 3.28Å; V281-T285 WeakPolarHBondContact O-CG2 3.42Å; V281-T285 PolarHBondContact O-N 3.17Å; V281-T285 PolarHBondContact O-OG1 3.18Å
282A83.2Confident81.1Confident19 Ų1997.5 Ų97.516%0.15752%0.521CS..Hα-helixtrans-55-49.9175.600000111.2I277 E278 W279 P280 C284 T285 V286I277-A282 HydrophobicContact CG2-CB 3.49Å; I277-A282 VanDerWaalsContact CG2-CB 3.49Å; E278-A282 PolarHBondContact O-N 3.43Å; W279-A282 WeakPolarHBondContact O-CB 3.45Å; W279-A282 PolarHBondContact O-N 2.97Å; P280-A282 VanDerWaalsContact C-N 3.35Å; A282-C284 PolarHBondContact O-N 3.35Å; A282-T285 WeakPolarHBondContact CA-OG1 3.33Å; A282-T285 PolarHBondContact O-N 3.07Å; A282-T285 PolarHBondContact O-OG1 3.05Å; A282-V286 WeakPolarHBondContact O-CG2 3.44Å; A282-V286 PolarHBondContact O-N 3.36Å
283L86.3Confident81.2Confident124 Ų12496.5 Ų96.565%0.64952%0.521SS*.Hα-helixtrans-63.7-43-178.7-155.2156.1000111.4W279 V281 V286 V287W279-L283 PolarHBondContact O-N 3.39Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 2.68Å; L283-V286 PolarHBondContact O-N 3.1Å; L283-V287 HydrophobicContact CD2-CG2 4.44Å; L283-V287 WeakPolarHBondContact O-CG2 3.27Å; L283-V287 PolarHBondContact O-N 3.02Å; L283-V287 VanDerWaalsContact O-N 3.16Å
284C86.3Confident81.2Confident86 Ų8696.2 Ų96.258%0.58153%0.529SS*.Hα-helixtrans-63.8-41.4175.7-167.90000112.3P280 V281 A282 V286 V287 S288P280-C284 PolarHBondContact O-N 2.79Å; V281-C284 PolarHBondContact O-N 2.72Å; A282-C284 PolarHBondContact O-N 3.35Å; C284-V286 PolarHBondContact O-N 3.41Å; C284-V287 PolarHBondContact O-N 3.24Å; C284-S288 WeakPolarHBondContact O-CB 3.45Å; C284-S288 PolarHBondContact O-N 3.3Å
285T82.8Confident81Confident52 Ų5299.1 Ų99.132%0.31955%0.545SS..Hα-helixtrans-64.9-37.7175.7600000111.8V281 A282 V287 S288 V289V281-T285 HydrophobicContact CG1-CG2 4.03Å; V281-T285 VanDerWaalsContact O-CG2 3.28Å; V281-T285 WeakPolarHBondContact O-CG2 3.42Å; V281-T285 PolarHBondContact O-N 3.17Å; V281-T285 PolarHBondContact O-OG1 3.18Å; A282-T285 WeakPolarHBondContact CA-OG1 3.33Å; A282-T285 PolarHBondContact O-N 3.07Å; A282-T285 PolarHBondContact O-OG1 3.05Å; T285-V287 VanDerWaalsContact C-N 3.33Å; T285-V287 PolarHBondContact O-N 2.95Å; T285-S288 PolarHBondContact O-N 3.31Å; T285-V289 WeakPolarHBondContact O-CB 3.4Å; T285-V289 WeakPolarHBondContact O-CG2 3.4Å; T285-V289 PolarHBondContact O-N 3.46Å
286V86Confident80.5Confident86 Ų8695.2 Ų95.252%0.52153%0.533SS..Hα-helixtrans-61-43.9174.6170.70000110.7A282 L283 C284 V289 L290A282-V286 WeakPolarHBondContact O-CG2 3.44Å; A282-V286 PolarHBondContact O-N 3.36Å; L283-V286 PolarHBondContact O-N 3.1Å; C284-V286 PolarHBondContact O-N 3.41Å; V286-V289 PolarHBondContact O-N 3.5Å; V286-L290 HydrophobicContact CG1-CD1 4.19Å; V286-L290 WeakPolarHBondContact O-CB 3.33Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.23Å; V286-L290 PolarHBondContact O-N 2.78Å
287V86.1Confident79.6Confident77 Ų7795.2 Ų95.247%0.46754%0.535SS..Hα-helixtrans-64.2-46.1176.2175.90000111.1L283 C284 T285 V289 L290 I291L283-V287 HydrophobicContact CD2-CG2 4.44Å; L283-V287 WeakPolarHBondContact O-CG2 3.27Å; L283-V287 PolarHBondContact O-N 3.02Å; L283-V287 VanDerWaalsContact O-N 3.16Å; C284-V287 PolarHBondContact O-N 3.24Å; T285-V287 VanDerWaalsContact C-N 3.33Å; T285-V287 PolarHBondContact O-N 2.95Å; V287-V289 VanDerWaalsContact C-N 3.35Å; V287-V289 PolarHBondContact O-N 3.27Å; V287-L290 PolarHBondContact O-N 3.05Å; V287-I291 HydrophobicContact CG1-CD1 4.14Å; V287-I291 WeakPolarHBondContact O-CG1 3.34Å; V287-I291 PolarHBondContact O-N 3Å; V287-I291 VanDerWaalsContact O-N 3.13Å
288S83.6Confident78.5Confident67 Ų67103.1 Ų103.147%0.46956%0.561SS.*Hα-helixtrans-64-38.8177.7-179.50000112.3C284 T285 I291 S292C284-S288 WeakPolarHBondContact O-CB 3.45Å; C284-S288 PolarHBondContact O-N 3.3Å; T285-S288 PolarHBondContact O-N 3.31Å; S288-I291 PolarHBondContact O-N 3Å; S288-S292 VanDerWaalsContact O-CB 3.3Å; S288-S292 WeakPolarHBondContact O-CB 3.42Å; S288-S292 PolarHBondContact O-N 3.5Å; S288-S292 PolarHBondContact O-OG 3.01Å
289V82.3Confident77.5Confident74 Ų74103.4 Ų103.445%0.44857%0.566SS.*Hα-helixtrans-69.3-38.1177.1169.20000110.7T285 V286 V287 I291 S292 T293T285-V289 WeakPolarHBondContact O-CB 3.4Å; T285-V289 WeakPolarHBondContact O-CG2 3.4Å; T285-V289 PolarHBondContact O-N 3.46Å; V286-V289 PolarHBondContact O-N 3.5Å; V287-V289 VanDerWaalsContact C-N 3.35Å; V287-V289 PolarHBondContact O-N 3.27Å; V289-I291 VanDerWaalsContact C-N 3.28Å; V289-I291 PolarHBondContact O-N 3.31Å; V289-S292 WeakPolarHBondContact CA-OG 3.28Å; V289-S292 PolarHBondContact O-N 3.1Å; V289-S292 PolarHBondContact O-OG 3.42Å; V289-T293 HydrophobicContact CG1-CG2 3.81Å; V289-T293 WeakPolarHBondContact O-CA 3.37Å; V289-T293 WeakPolarHBondContact O-CB 3.4Å; V289-T293 VanDerWaalsContact O-CG2 3.24Å; V289-T293 WeakPolarHBondContact O-CG2 2.94Å; V289-T293 PolarHBondContact O-N 3.22Å; V289-T293 PolarHBondContact O-OG1 2.87Å
290L82.8Confident76.7Confident111 Ų11198.7 Ų98.758%0.58156%0.562SS**Hα-helixtrans-61.6-39.5172.3-74.9167.2000111.4V286 V287 T293 V294V286-L290 HydrophobicContact CG1-CD1 4.19Å; V286-L290 WeakPolarHBondContact O-CB 3.33Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.23Å; V286-L290 PolarHBondContact O-N 2.78Å; V287-L290 PolarHBondContact O-N 3.05Å; L290-T293 WeakPolarHBondContact CA-OG1 3.3Å; L290-T293 PolarHBondContact O-OG1 3.08Å; L290-T293 VanDerWaalsContact O-OG1 3.1Å; L290-V294 WeakPolarHBondContact O-CG2 3.21Å; L290-V294 PolarHBondContact O-N 2.87Å
291I81.7Confident75.2Confident109 Ų10999.1 Ų99.156%0.55957%0.567SS**Hα-helixtrans-70.3-42.8176-63163.8000110.9V287 S288 V289 L295V287-I291 HydrophobicContact CG1-CD1 4.14Å; V287-I291 WeakPolarHBondContact O-CG1 3.34Å; V287-I291 PolarHBondContact O-N 3Å; V287-I291 VanDerWaalsContact O-N 3.13Å; S288-I291 PolarHBondContact O-N 3Å; V289-I291 VanDerWaalsContact C-N 3.28Å; V289-I291 PolarHBondContact O-N 3.31Å; I291-L295 PolarHBondContact O-N 3.24Å
292S79.2Confident73.7Confident49 Ų49107.7 Ų107.734%0.34359%0.592SS.*Hα-helixtrans-77.5-30.1-176.776.90000112.5S288 V289 V294 L295 A296S288-S292 VanDerWaalsContact O-CB 3.3Å; S288-S292 WeakPolarHBondContact O-CB 3.42Å; S288-S292 PolarHBondContact O-N 3.5Å; S288-S292 PolarHBondContact O-OG 3.01Å; V289-S292 WeakPolarHBondContact CA-OG 3.28Å; V289-S292 PolarHBondContact O-N 3.1Å; V289-S292 PolarHBondContact O-OG 3.42Å; S292-V294 VanDerWaalsContact C-N 3.31Å; S292-V294 PolarHBondContact O-N 3.25Å; S292-L295 CarbonylContact O-C 3.58Å; S292-L295 WeakPolarHBondContact O-CA 3.38Å; S292-L295 WeakPolarHBondContact O-CB 3.29Å; S292-L295 PolarHBondContact O-N 3.18Å; S292-A296 WeakPolarHBondContact O-CA 3.33Å; S292-A296 WeakPolarHBondContact O-CB 3.5Å; S292-A296 PolarHBondContact O-N 3.29Å
293T72.1Confident72.2Confident67 Ų67112.2 Ų112.241%0.41162%0.622SS.*Hα-helixtrans-66-35.7173.543.30000111.4V289 L290 L295 N297V289-T293 HydrophobicContact CG1-CG2 3.81Å; V289-T293 WeakPolarHBondContact O-CA 3.37Å; V289-T293 WeakPolarHBondContact O-CB 3.4Å; V289-T293 VanDerWaalsContact O-CG2 3.24Å; V289-T293 WeakPolarHBondContact O-CG2 2.94Å; V289-T293 PolarHBondContact O-N 3.22Å; V289-T293 PolarHBondContact O-OG1 2.87Å; L290-T293 WeakPolarHBondContact CA-OG1 3.3Å; L290-T293 PolarHBondContact O-OG1 3.08Å; L290-T293 VanDerWaalsContact O-OG1 3.1Å; T293-L295 PolarHBondContact O-N 3.19Å; T293-N297 PolarHBondContact O-N 3.37Å
294V71.6Confident70.3Confident118 Ų118114.4 Ų114.472%0.71563%0.627SS**Hα-helixtrans-61.3-36.5168.6174.10000111L290 S292L290-V294 WeakPolarHBondContact O-CG2 3.21Å; L290-V294 PolarHBondContact O-N 2.87Å; S292-V294 VanDerWaalsContact C-N 3.31Å; S292-V294 PolarHBondContact O-N 3.25Å
295L68.2Low68.3Low146 Ų146118 Ų11876%0.76464%0.639SS**Hα-helixtrans-84-32-179.7-121.388.4000114.8I291 S292 T293I291-L295 PolarHBondContact O-N 3.24Å; S292-L295 CarbonylContact O-C 3.58Å; S292-L295 WeakPolarHBondContact O-CA 3.38Å; S292-L295 WeakPolarHBondContact O-CB 3.29Å; S292-L295 PolarHBondContact O-N 3.18Å; T293-L295 PolarHBondContact O-N 3.19Å
296A65.5Low66.7Low65 Ų65122 Ų12254%0.53766%0.655SS.*Hα-helixtrans-103.36.1-166.600000112.7S292 R298S292-A296 WeakPolarHBondContact O-CA 3.33Å; S292-A296 WeakPolarHBondContact O-CB 3.5Å; S292-A296 PolarHBondContact O-N 3.29Å; A296-R298 PolarHBondContact O-N 3.29Å
297N59.6Low65.1Low150 Ų150125.6 Ų125.680%0.80267%0.666SS**THydrogen-bonded Turntrans-60.728.2164.4-110.5-4.4000113.6T293T293-N297 PolarHBondContact O-N 3.37Å
298R59.7Low63.7Low227 Ų227129 Ų12986%0.85768%0.68SS**THydrogen-bonded Turntrans-130.5-21.3-179.1-99-153.3174.3-172.20.1117.4A296A296-R298 PolarHBondContact O-N 3.29Å
299L60.9Low62.7Low151 Ų151131.8 Ų131.879%0.79169%0.69SS**  trans-148.7103.5-173.7-75.4170.3000114.8
300T63.9Low62Low124 Ų124133.3 Ų133.376%0.76170%0.696SS**  58.6108.4125.8-35.60000120.6
301S53Low61.4Low105 Ų105131.5 Ų131.573%0.73469%0.689SS**  trans41.2127.7133.3-162.40000120.7
302R52.9Low60.9Low255 Ų255132.9 Ų132.996%0.96269%0.693SS**  trans-136.8134.6150.1-75.8-171.8176.4-170.5-1.6110.6
303S50.8Low60.5Low114 Ų114134.8 Ų134.880%0.79770%0.697SS**  trans-123129.9158.455.50000108
304F47Very low60.4Low170 Ų170132.9 Ų132.975%0.74668%0.684SS**  trans-156.5128.2158.8-176.6-98000108.8Q306F304-Q306 HydrophobicContact CZ-CB 4.28Å
305L45.1Very low60.6Low161 Ų161132.2 Ų132.284%0.84367%0.671SS**  trans-156.2131.1137.5-76.3-171.5000107.2
306Q48Very low60.9Low137 Ų137132.1 Ų132.164%0.6467%0.672SS**  trans-125.3129160.3-172.2161-1200107F304 D309F304-Q306 HydrophobicContact CZ-CB 4.28Å; Q306-D309 PolarHBondContact NE2-OD2 3.21Å
307E53.4Low61.2Low161 Ų161131.1 Ų131.175%0.75266%0.656SS**  trans-91.5163.9177.5-74.9179.9161.700110.8D309E307-D309 PolarHBondContact O-N 2.89Å
308L56.7Low62Low147 Ų147131.3 Ų131.377%0.7766%0.657SS**  trans-53.5124.6-166.5-54.9117.8000114.2
309D63.1Low62.7Low127 Ų127129.8 Ų129.868%0.67966%0.657SS**  trans-101.2-11.7-177.9-80.5-37.4000114.6Q306 E307Q306-D309 PolarHBondContact NE2-OD2 3.21Å; E307-D309 PolarHBondContact O-N 2.89Å
310D66.9Low63.3Low106 Ų106127.1 Ų127.157%0.56764%0.642SS**  trans-120.3135-166.4-102.4-34.9000116.4E312 Q313D310-E312 VanDerWaalsContact C-N 3.27Å; D310-E312 PolarHBondContact O-N 2.8Å; D310-Q313 PolarHBondContact O-N 3.23Å
311V70.2Confident64.1Low72 Ų72129.8 Ų129.844%0.43665%0.646SS.*THydrogen-bonded Turntrans-66.6-27.6176.61780000111.8Q313 L314 F315V311-Q313 PolarHBondContact O-N 3.5Å; V311-L314 HydrophobicContact CG1-CD1 4.46Å; V311-L314 VanDerWaalsContact O-CB 3.29Å; V311-L314 WeakPolarHBondContact O-CB 3.35Å; V311-L314 PolarHBondContact O-N 2.66Å; V311-F315 HydrophobicContact CG1-CE2 3.99Å; V311-F315 HydrophobicContact CG1-CZ 4.36Å
312E71Confident65.5Low138 Ų138131 Ų13165%0.64564%0.635SS**Hα-helixtrans-57.7-33.9178.6-67.6-172.9172.100112.3D310 L314 F315 D316D310-E312 VanDerWaalsContact C-N 3.27Å; D310-E312 PolarHBondContact O-N 2.8Å; E312-L314 PolarHBondContact O-N 3.19Å; E312-F315 PolarHBondContact O-N 3.16Å; E312-D316 PolarHBondContact O-N 3.23Å
313Q69.8Low67Low90 Ų90124.3 Ų124.342%0.42163%0.627SS.*Hα-helixtrans-66.1-19.7177.9-63.3174.6-13.400112.8D310 V311 Q317D310-Q313 PolarHBondContact O-N 3.23Å; V311-Q313 PolarHBondContact O-N 3.5Å; Q313-Q317 WeakPolarHBondContact O-CG 3.48Å
314L72Confident68.6Low26 Ų26121.6 Ų121.614%0.13661%0.605CS.*Hα-helixtrans-73.8-30172-72.2167.9000112.5A259 I261 V311 E312 Q317 Y322A259-L314 HydrophobicContact CB-CD1 3.86Å; I261-L314 HydrophobicContact CD1-CD1 4.39Å; I261-L314 HydrophobicContact CD1-CD2 4.46Å; V311-L314 HydrophobicContact CG1-CD1 4.46Å; V311-L314 VanDerWaalsContact O-CB 3.29Å; V311-L314 WeakPolarHBondContact O-CB 3.35Å; V311-L314 PolarHBondContact O-N 2.66Å; E312-L314 PolarHBondContact O-N 3.19Å; L314-Q317 PolarHBondContact O-NE2 3.42Å; L314-Q317 VanDerWaalsContact O-NE2 3.09Å; L314-Y322 VanDerWaalsContact O-CE1 3.32Å; L314-Y322 WeakPolarHBondContact O-CE1 3.43Å
315F73.8Confident70Confident104 Ų104118.8 Ų118.846%0.45660%0.602SS.*Hα-helixtrans-77.7-34.5-179.5-63.2-59.2000112.3V311 E312 Y322V311-F315 HydrophobicContact CG1-CE2 3.99Å; V311-F315 HydrophobicContact CG1-CZ 4.36Å; E312-F315 PolarHBondContact O-N 3.16Å; F315-Y322 HydrophobicContact CD1-CE2 4.16Å; F315-Y322 AromaticContact CD1-CZ 3.93Å; F315-Y322 HydrophobicContact CE1-CE2 4.12Å
316D74.8Confident71.3Confident145 Ų145116 Ų11678%0.77559%0.585SS**Hα-helixtrans-77.8-22.6-178.7-74.8-16.8000113.9E312E312-D316 PolarHBondContact O-N 3.23Å
317Q73.4Confident72.3Confident43 Ų43110.3 Ų110.320%0.20156%0.562CS.*  trans-95.4145.7-175.169.175.439.200112.3Q313 L314 I320Q313-Q317 WeakPolarHBondContact O-CG 3.48Å; L314-Q317 PolarHBondContact O-NE2 3.42Å; L314-Q317 VanDerWaalsContact O-NE2 3.09Å; Q317-I320 PolarHBondContact NE2-O 3Å
318N75.9Confident73.1Confident154 Ų154103.4 Ų103.482%0.82453%0.532SS*.SBendtrans-107.94-179.2-71-16.6000114.5
319K73Confident73.8Confident196 Ų19698.1 Ų98.185%0.85251%0.507SS*.SBendtrans-90.3-34.4-172.8-69.7-178.2179176.40113.3
320I74.1Confident74.5Confident94 Ų9493.8 Ų93.848%0.48249%0.487SS..SBendtrans-103.8114.9-177.4-53.9172.6000107.3Q317Q317-I320 PolarHBondContact NE2-O 3Å
321H81.4Confident75.2Confident181 Ų18191.2 Ų91.284%0.83847%0.472SS*.  trans-72.3130.1171.8-67-67.1000110
322Y83Confident75.6Confident131 Ų13191.5 Ų91.551%0.51447%0.468SS..  trans-118.8148.7171.858.5-90000109.6L314 F315L314-Y322 VanDerWaalsContact O-CE1 3.32Å; L314-Y322 WeakPolarHBondContact O-CE1 3.43Å; F315-Y322 HydrophobicContact CD1-CE2 4.16Å; F315-Y322 AromaticContact CD1-CZ 3.93Å; F315-Y322 HydrophobicContact CE1-CE2 4.12Å
323S83.6Confident76.2Confident114 Ų11491.1 Ų91.180%0.79746%0.461SS*.  trans-151151177.265.50000110.1
324V83.5Confident77Confident56 Ų5690 Ų9034%0.33946%0.455SS..PPolyproline II helixtrans-92.3151.3174.1-174.20000109.2E326 S330 M331 F334V324-E326 PolarHBondContact O-N 3.37Å; V324-S330 VanDerWaalsContact CG1-CB 3.49Å; V324-M331 HydrophobicContact CG1-CB 4.07Å; V324-F334 HydrophobicContact CG1-CD2 4.44Å; V324-F334 HydrophobicContact CG2-CD2 3.54Å; V324-F334 HydrophobicContact CG2-CE2 3.78Å; V324-F334 HydrophobicContact CG2-CG 4.41Å
325V77.9Confident77.7Confident111 Ų11193.4 Ų93.467%0.67347%0.47SS*.PPolyproline II helixtrans-60.1123.1176.6-179.70000109.7G327 S328V325-G327 PolarHBondContact O-N 3.39Å; V325-S328 VanDerWaalsContact O-CB 3.26Å; V325-S328 WeakPolarHBondContact O-CB 3.33Å; V325-S328 PolarHBondContact O-N 3.04Å; V325-S328 PolarHBondContact O-OG 3.43Å
326E71.5Confident78.3Confident104 Ų10494.8 Ų94.849%0.48647%0.472SS..THydrogen-bonded Turntrans-58.1133.4179.7-166179.6-178.800110.8K203 V324 S328 M331K203-E326 WeakPolarHBondContact CD-OE2 3.3Å; K203-E326 WeakPolarHBondContact CE-OE2 3.26Å; K203-E326 HydrophobicContact CG-CB 4.49Å; K203-E326 IonicContact NZ-OE2 3.05Å; K203-E326 PolarHBondContact NZ-OE2 2.63Å; K203-E326 VanDerWaalsContact O-O 3.07Å; V324-E326 PolarHBondContact O-N 3.37Å; E326-S328 PolarHBondContact O-N 2.88Å; E326-M331 HydrophobicContact CG-SD 4.33Å
327G68.5Low78.9Confident16 Ų1691 Ų9117%0.16545%0.452CS..THydrogen-bonded Turntrans73.15.3-179.500000115.5V325 M331V325-G327 PolarHBondContact O-N 3.39Å; G327-M331 PolarHBondContact N-SD 2.99Å
328S71.2Confident79.6Confident17 Ų1790.8 Ų90.812%0.11946%0.457CS..SBendtrans-76.4159174.766.20000112.6V325 E326 S330 M331 K332V325-S328 VanDerWaalsContact O-CB 3.26Å; V325-S328 WeakPolarHBondContact O-CB 3.33Å; V325-S328 PolarHBondContact O-N 3.04Å; V325-S328 PolarHBondContact O-OG 3.43Å; E326-S328 PolarHBondContact O-N 2.88Å; S328-S330 PolarHBondContact O-N 2.95Å; S328-M331 PolarHBondContact O-N 3.31Å; S328-M331 VanDerWaalsContact O-N 3.16Å; S328-M331 PolarHBondContact OG-N 3.16Å; S328-M331 VanDerWaalsContact OG-N 3.13Å; S328-K332 PolarHBondContact O-N 3.1Å
329S71.1Confident80.3Confident35 Ų3589.7 Ų89.725%0.24545%0.447CS..Hα-helixtrans-55.9-36.3167.7500000112M331 K332 Y333S329-M331 PolarHBondContact O-N 3.31Å; S329-K332 PolarHBondContact O-N 3.5Å; S329-Y333 PolarHBondContact O-N 2.85Å
330S78.4Confident81.1Confident36 Ų3684.4 Ų84.425%0.25243%0.431SS..Hα-helixtrans-60.5-42.1175.4-510000112.3L257 V324 S328 K332 Y333 F334L257-S330 WeakPolarHBondContact CD2-OG 3.49Å; V324-S330 VanDerWaalsContact CG1-CB 3.49Å; S328-S330 PolarHBondContact O-N 2.95Å; S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 2.72Å; S330-Y333 WeakPolarHBondContact O-CB 3.29Å; S330-Y333 PolarHBondContact O-N 2.87Å; S330-F334 WeakPolarHBondContact O-CD2 3.37Å; S330-F334 PolarHBondContact O-N 3.34Å
331M82Confident81.8Confident53 Ų5385.1 Ų85.126%0.26143%0.433SS..Hα-helixtrans-61.4-43.7177.1179-178.7128.500110.8V324 E326 G327 S328 S329 Y333 F334 Q335V324-M331 HydrophobicContact CG1-CB 4.07Å; E326-M331 HydrophobicContact CG-SD 4.33Å; G327-M331 PolarHBondContact N-SD 2.99Å; S328-M331 PolarHBondContact O-N 3.31Å; S328-M331 VanDerWaalsContact O-N 3.16Å; S328-M331 PolarHBondContact OG-N 3.16Å; S328-M331 VanDerWaalsContact OG-N 3.13Å; S329-M331 PolarHBondContact O-N 3.31Å; M331-Y333 VanDerWaalsContact C-N 3.32Å; M331-Y333 PolarHBondContact O-N 2.9Å; M331-F334 PolarHBondContact O-N 3.48Å; M331-Q335 VanDerWaalsContact CE-NE2 3.28Å; M331-Q335 HydrophobicContact CG-CG 4.48Å; M331-Q335 WeakPolarHBondContact O-CB 3.3Å; M331-Q335 VanDerWaalsContact O-CG 3.29Å; M331-Q335 WeakPolarHBondContact O-CG 3.34Å; M331-Q335 PolarHBondContact O-N 3.28Å
332K78.6Confident82.2Confident78 Ų7883.5 Ų83.534%0.33942%0.423SS..Hα-helixtrans-65.4-35.6177.2-169.4174.4-175174.50112.5S328 S329 S330 R336S328-K332 PolarHBondContact O-N 3.1Å; S329-K332 PolarHBondContact O-N 3.5Å; S330-K332 VanDerWaalsContact C-N 3.32Å; S330-K332 PolarHBondContact O-N 2.72Å; K332-R336 WeakPolarHBondContact O-CB 3.12Å; K332-R336 WeakPolarHBondContact O-CG 3.19Å; K332-R336 PolarHBondContact O-N 3.24Å
333Y83.4Confident82.5Confident130 Ų13080.4 Ų80.451%0.5143%0.425SS..Hα-helixtrans-60.2-53.1172.7171.6-93.8000111L257 S329 S330 M331 Q335 R336 L337L257-Y333 HydrophobicContact CD1-CD1 4.01Å; L257-Y333 HydrophobicContact CD1-CE1 3.93Å; S329-Y333 PolarHBondContact O-N 2.85Å; S330-Y333 WeakPolarHBondContact O-CB 3.29Å; S330-Y333 PolarHBondContact O-N 2.87Å; M331-Y333 VanDerWaalsContact C-N 3.32Å; M331-Y333 PolarHBondContact O-N 2.9Å; Y333-Q335 PolarHBondContact O-N 3.44Å; Y333-R336 PolarHBondContact O-N 3.13Å; Y333-L337 HydrophobicContact CE1-CD2 4.35Å; Y333-L337 WeakPolarHBondContact O-CB 3.42Å; Y333-L337 PolarHBondContact O-N 3.43Å
334F87.1Confident82.7Confident65 Ų6581.7 Ų81.729%0.28542%0.422SS..Hα-helixtrans-66.9-33.4179.1-74-70.3000113.4L257 V324 S330 M331 L337 A338L257-F334 HydrophobicContact CD1-CE2 3.89Å; L257-F334 HydrophobicContact CD1-CZ 3.76Å; L257-F334 HydrophobicContact CD2-CE2 4.02Å; V324-F334 HydrophobicContact CG1-CD2 4.44Å; V324-F334 HydrophobicContact CG2-CD2 3.54Å; V324-F334 HydrophobicContact CG2-CE2 3.78Å; V324-F334 HydrophobicContact CG2-CG 4.41Å; S330-F334 WeakPolarHBondContact O-CD2 3.37Å; S330-F334 PolarHBondContact O-N 3.34Å; M331-F334 PolarHBondContact O-N 3.48Å; F334-L337 HydrophobicContact CD1-CD2 4.23Å; F334-L337 PolarHBondContact O-N 2.71Å; F334-A338 WeakPolarHBondContact O-CB 3.24Å; F334-A338 PolarHBondContact O-N 3.29Å
335Q86.6Confident82.6Confident98 Ų9885.3 Ų85.346%0.45844%0.444SS..Hα-helixtrans-61.9-47.9172.2-78.4178.3-26.500111.6M331 Y333 L337 A338 E339M331-Q335 VanDerWaalsContact CE-NE2 3.28Å; M331-Q335 HydrophobicContact CG-CG 4.48Å; M331-Q335 WeakPolarHBondContact O-CB 3.3Å; M331-Q335 VanDerWaalsContact O-CG 3.29Å; M331-Q335 WeakPolarHBondContact O-CG 3.34Å; M331-Q335 PolarHBondContact O-N 3.28Å; Y333-Q335 PolarHBondContact O-N 3.44Å; Q335-L337 VanDerWaalsContact C-N 3.34Å; Q335-A338 PolarHBondContact O-N 2.9Å; Q335-E339 WeakPolarHBondContact O-CG 3.22Å; Q335-E339 PolarHBondContact O-N 3.3Å
336R85.8Confident82Confident134 Ų13490.5 Ų90.551%0.50646%0.461SS..Hα-helixtrans-64.9-38.9176.4-76.6-177.8171.2-173.2-4.2112.2K332 Y333 A338 E339 V340K332-R336 WeakPolarHBondContact O-CB 3.12Å; K332-R336 WeakPolarHBondContact O-CG 3.19Å; K332-R336 PolarHBondContact O-N 3.24Å; Y333-R336 PolarHBondContact O-N 3.13Å; R336-A338 VanDerWaalsContact C-N 3.34Å; R336-E339 PolarHBondContact O-N 2.76Å; R336-V340 VanDerWaalsContact O-CG2 3.3Å; R336-V340 WeakPolarHBondContact O-CG2 3.49Å; R336-V340 PolarHBondContact O-N 3.1Å
337L88Confident82.6Confident65 Ų6589.8 Ų89.834%0.3446%0.459SS..Hα-helixtrans-59.1-47.8175.1-174.265.3000110.4Y333 F334 Q335 E339 V340 E341Y333-L337 HydrophobicContact CE1-CD2 4.35Å; Y333-L337 WeakPolarHBondContact O-CB 3.42Å; Y333-L337 PolarHBondContact O-N 3.43Å; F334-L337 HydrophobicContact CD1-CD2 4.23Å; F334-L337 PolarHBondContact O-N 2.71Å; Q335-L337 VanDerWaalsContact C-N 3.34Å; L337-E339 PolarHBondContact O-N 3.28Å; L337-V340 PolarHBondContact O-N 2.6Å; L337-E341 WeakPolarHBondContact O-CG 3.42Å; L337-E341 PolarHBondContact O-N 2.71Å
338A88.1Confident83.3Confident39 Ų3993.7 Ų93.732%0.32248%0.475SS..Hα-helixtrans-64.9-34.8177.100000113.4F334 Q335 R336 K342F334-A338 WeakPolarHBondContact O-CB 3.24Å; F334-A338 PolarHBondContact O-N 3.29Å; Q335-A338 PolarHBondContact O-N 2.9Å; R336-A338 VanDerWaalsContact C-N 3.34Å; A338-K342 VanDerWaalsContact O-CG 3.29Å; A338-K342 WeakPolarHBondContact O-CG 3.4Å; A338-K342 PolarHBondContact O-N 3.36Å; A338-K342 VanDerWaalsContact O-N 3.15Å
339E90.5Very high84Confident131 Ų13197.9 Ų97.961%0.61250%0.495SS*.Hα-helixtrans-64.4-43172.8-74.9171.3-178.300111.6Q335 R336 L337 A343Q335-E339 WeakPolarHBondContact O-CG 3.22Å; Q335-E339 PolarHBondContact O-N 3.3Å; R336-E339 PolarHBondContact O-N 2.76Å; L337-E339 PolarHBondContact O-N 3.28Å; E339-A343 PolarHBondContact O-N 3.47Å; E339-A343 VanDerWaalsContact O-N 3.13Å
340V89.5Confident84.7Confident84 Ų84101.6 Ų101.651%0.50951%0.509SS..Hα-helixtrans-68.4-42.9178.31720000111.4R336 L337 K342 A343 L344R336-V340 VanDerWaalsContact O-CG2 3.3Å; R336-V340 WeakPolarHBondContact O-CG2 3.49Å; R336-V340 PolarHBondContact O-N 3.1Å; L337-V340 PolarHBondContact O-N 2.6Å; V340-K342 VanDerWaalsContact C-N 3.34Å; V340-K342 PolarHBondContact O-N 3.33Å; V340-A343 PolarHBondContact O-N 3.43Å; V340-L344 HydrophobicContact CG1-CD1 4.08Å; V340-L344 WeakPolarHBondContact O-CG 3.49Å; V340-L344 PolarHBondContact O-N 2.64Å; V340-L344 VanDerWaalsContact O-N 3.1Å
341E88.5Confident85.1Confident110 Ų110105.8 Ų105.851%0.51453%0.525SS..Hα-helixtrans-59.7-43.5176.3-76.9176.3175.500111.9L337 A343 L344 V345L337-E341 WeakPolarHBondContact O-CG 3.42Å; L337-E341 PolarHBondContact O-N 2.71Å; E341-A343 VanDerWaalsContact C-N 3.34Å; E341-A343 PolarHBondContact O-N 3Å; E341-L344 PolarHBondContact O-N 3.35Å; E341-V345 WeakPolarHBondContact O-CG2 3.05Å; E341-V345 PolarHBondContact O-N 3.42Å
342K89.1Confident85.3Confident146 Ų146109.3 Ų109.364%0.63554%0.543SS*.Hα-helixtrans-61.4-42.5175.2-74.5175.8-177.4-178.20112.1A338 V340 L344 V345 E346A338-K342 VanDerWaalsContact O-CG 3.29Å; A338-K342 WeakPolarHBondContact O-CG 3.4Å; A338-K342 PolarHBondContact O-N 3.36Å; A338-K342 VanDerWaalsContact O-N 3.15Å; V340-K342 VanDerWaalsContact C-N 3.34Å; V340-K342 PolarHBondContact O-N 3.33Å; K342-L344 PolarHBondContact O-N 3.49Å; K342-V345 PolarHBondContact O-N 3.28Å; K342-E346 PolarHBondContact O-N 2.7Å
343A89.6Confident85.8Confident67 Ų67111.5 Ų111.555%0.55456%0.558SS**Hα-helixtrans-68.8-16.2178.800000114.3E339 V340 E341E339-A343 PolarHBondContact O-N 3.47Å; E339-A343 VanDerWaalsContact O-N 3.13Å; V340-A343 PolarHBondContact O-N 3.43Å; E341-A343 VanDerWaalsContact C-N 3.34Å; E341-A343 PolarHBondContact O-N 3Å
344L87.2Confident86Confident140 Ų140110.1 Ų110.173%0.73356%0.561SS**Hα-helixtrans-92.7-19.3175.2-71.7171.2000113.2V340 E341 K342V340-L344 HydrophobicContact CG1-CD1 4.08Å; V340-L344 WeakPolarHBondContact O-CG 3.49Å; V340-L344 PolarHBondContact O-N 2.64Å; V340-L344 VanDerWaalsContact O-N 3.1Å; E341-L344 PolarHBondContact O-N 3.35Å; K342-L344 PolarHBondContact O-N 3.49Å
345V82.8Confident85.9Confident132 Ų132113.8 Ų113.880%0.858%0.584SS**Hα-helixtrans-94.4-22.2-179.3175.80000111.9E341 K342E341-V345 WeakPolarHBondContact O-CG2 3.05Å; E341-V345 PolarHBondContact O-N 3.42Å; K342-V345 PolarHBondContact O-N 3.28Å
346E65.3Low85.9Confident220 Ų220115.3 Ų115.3100%1.02860%0.596SS**  trans-840166.7-68.2-179.6-179.800111.8K342K342-E346 PolarHBondContact O-N 2.7Å

Retrieved 346 of 346 residues in 574.9 ms (Link to these results)

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