A0A3Q0KP80_SCHMA Loading...

Sister chromatid cohesion protein DCC1

AlphaFold DB , UniProt , Accession A0A3Q0KP80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 487 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
1M35.9Very low72Confident244 Ų24499.4 Ų99.4100%1.20254%0.539SS*.  0107.10-70.4-166.8176.100108.1T3M1-T3 PolarHBondContact O-N 2.97Å
2S51.3Low73.2Confident97 Ų97102.4 Ų102.468%0.67854%0.544SS*.  trans-69.2113.9174.856.30000108.4S4S2-S4 PolarHBondContact O-N 3.17Å
3T58Low74.1Confident127 Ų127100.7 Ų100.778%0.77953%0.534SS*.PPolyproline II helixtrans-53.5130.1171.431.80000109.6M1 R5M1-T3 PolarHBondContact O-N 2.97Å; T3-R5 PolarHBondContact O-N 3.19Å; T3-R5 VanDerWaalsContact O-N 3.12Å
4S64.4Low74.8Confident114 Ų11496.3 Ų96.380%0.79751%0.511SS*.PPolyproline II helixtrans-58117174.639.30000108.5S2 T6S2-S4 PolarHBondContact O-N 3.17Å; S4-T6 PolarHBondContact O-N 2.71Å
5R74.4Confident75.4Confident135 Ų13597.1 Ų97.151%0.50951%0.51SS..PPolyproline II helixtrans-69.7129-178.8-67.1-171.1178.7-179.1-0.4109T3 M10 L13T3-R5 PolarHBondContact O-N 3.19Å; T3-R5 VanDerWaalsContact O-N 3.12Å; R5-M10 HydrophobicContact CB-CG 4.08Å; R5-M10 HydrophobicContact CB-SD 3.92Å; R5-M10 WeakPolarHBondContact CD-SD 3.19Å; R5-M10 HydrophobicContact CG-SD 4.28Å; R5-L13 VanDerWaalsContact NH1-CD1 3.3Å
6T83.4Confident76.2Confident89 Ų8997.6 Ų97.655%0.54652%0.523SS..PPolyproline II helixtrans-77.6158.317357.70000110.7S4 E8 S9 M10S4-T6 PolarHBondContact O-N 2.71Å; T6-E8 VanDerWaalsContact C-N 3.34Å; T6-E8 PolarHBondContact O-N 2.78Å; T6-S9 WeakPolarHBondContact O-CB 3.5Å; T6-S9 PolarHBondContact O-N 2.82Å; T6-S9 VanDerWaalsContact O-N 3.08Å; T6-S9 WeakPolarHBondContact OG1-CB 3.48Å; T6-S9 PolarHBondContact OG1-N 2.97Å; T6-M10 PolarHBondContact O-N 3.22Å; T6-M10 VanDerWaalsContact O-N 3.08Å
7Y85Confident76.7Confident23 Ų2395.4 Ų95.49%0.0952%0.521CS..Hα-helixtrans-56.7-47178.8-176.7-89.4000111.8S9 M10 K11 N26 F28 N115 V117Y7-S9 VanDerWaalsContact C-N 3.27Å; Y7-S9 PolarHBondContact O-N 2.82Å; Y7-M10 WeakPolarHBondContact O-CB 3.39Å; Y7-M10 PolarHBondContact O-N 3.19Å; Y7-M10 VanDerWaalsContact O-N 3.11Å; Y7-K11 PolarHBondContact O-N 2.73Å; Y7-N26 WeakPolarHBondContact CE2-O 3.43Å; Y7-F28 HydrophobicContact CD1-CE2 4.22Å; Y7-F28 AromaticContact CD2-CD2 3.3Å; Y7-F28 HydrophobicContact CD2-CD2 3.3Å; Y7-F28 AromaticContact CD2-CE2 3.43Å; Y7-F28 HydrophobicContact CD2-CE2 3.43Å; Y7-F28 VanDerWaalsContact CD2-CE2 3.43Å; Y7-F28 HydrophobicContact CD2-CG 4.5Å; Y7-F28 HydrophobicContact CE1-CE2 4.08Å; Y7-F28 AromaticContact CE2-CD2 3.46Å; Y7-F28 HydrophobicContact CE2-CD2 3.46Å; Y7-F28 VanDerWaalsContact CE2-CD2 3.46Å; Y7-F28 AromaticContact CE2-CE2 3.28Å; Y7-F28 HydrophobicContact CE2-CE2 3.28Å; Y7-F28 HydrophobicContact CE2-CZ 4.23Å; Y7-F28 HydrophobicContact CG-CD2 4.01Å; Y7-F28 AromaticContact CG-CE2 3.9Å; Y7-F28 HydrophobicContact CG-CE2 3.9Å; Y7-F28 AromaticContact CZ-CE2 3.62Å; Y7-N115 HydrophobicContact CD1-CB 3.9Å; Y7-N115 HydrophobicContact CD2-CB 3.58Å; Y7-N115 HydrophobicContact CE1-CB 4.1Å; Y7-N115 WeakPolarHBondContact CE1-ND2 3.39Å; Y7-N115 HydrophobicContact CE2-CB 3.78Å; Y7-N115 HydrophobicContact CG-CB 3.65Å; Y7-V117 HydrophobicContact CD2-CG2 4.49Å
8E84.8Confident77.2Confident112 Ų112101.1 Ų101.152%0.52354%0.54SS..Hα-helixtrans-57-37.3174.3-93.755.8-143.700113.4T6 K11 K12T6-E8 VanDerWaalsContact C-N 3.34Å; T6-E8 PolarHBondContact O-N 2.78Å; E8-K11 PolarHBondContact O-N 2.94Å; E8-K12 WeakPolarHBondContact O-CG 3.4Å; E8-K12 PolarHBondContact O-N 3.11Å
9S86.4Confident77.4Confident50 Ų50101.1 Ų101.135%0.3554%0.539SS..Hα-helixtrans-66.8-42176.8-1780000111.3T6 Y7 K12 L13T6-S9 WeakPolarHBondContact O-CB 3.5Å; T6-S9 PolarHBondContact O-N 2.82Å; T6-S9 VanDerWaalsContact O-N 3.08Å; T6-S9 WeakPolarHBondContact OG1-CB 3.48Å; T6-S9 PolarHBondContact OG1-N 2.97Å; Y7-S9 VanDerWaalsContact C-N 3.27Å; Y7-S9 PolarHBondContact O-N 2.82Å; S9-K12 PolarHBondContact O-N 3.21Å; S9-L13 WeakPolarHBondContact O-CG 3.26Å; S9-L13 PolarHBondContact O-N 3.31Å; S9-L13 VanDerWaalsContact O-N 3.08Å
10M85Confident77.4Confident26 Ų26100.9 Ų100.913%0.12854%0.538CS..Hα-helixtrans-66.2-39.5176.3-67.1-62.4-73.600112.1R5 T6 Y7 L13 L14 F28R5-M10 HydrophobicContact CB-CG 4.08Å; R5-M10 HydrophobicContact CB-SD 3.92Å; R5-M10 WeakPolarHBondContact CD-SD 3.19Å; R5-M10 HydrophobicContact CG-SD 4.28Å; T6-M10 PolarHBondContact O-N 3.22Å; T6-M10 VanDerWaalsContact O-N 3.08Å; Y7-M10 WeakPolarHBondContact O-CB 3.39Å; Y7-M10 PolarHBondContact O-N 3.19Å; Y7-M10 VanDerWaalsContact O-N 3.11Å; M10-L13 WeakPolarHBondContact O-CB 3.46Å; M10-L13 PolarHBondContact O-N 2.88Å; M10-L13 HydrophobicContact SD-CD1 4.18Å; M10-L14 PolarHBondContact O-N 3.2Å; M10-L14 VanDerWaalsContact O-N 3.1Å; M10-F28 HydrophobicContact CB-CB 4.29Å; M10-F28 HydrophobicContact CB-CD1 4.06Å; M10-F28 HydrophobicContact CB-CD2 3.39Å; M10-F28 HydrophobicContact CB-CE1 4.27Å; M10-F28 HydrophobicContact CB-CE2 3.61Å; M10-F28 HydrophobicContact CB-CG 3.64Å; M10-F28 HydrophobicContact CB-CZ 4.06Å; M10-F28 HydrophobicContact CE-CB 4.25Å; M10-F28 HydrophobicContact CE-CD1 4.5Å; M10-F28 HydrophobicContact CE-CG 4.45Å; M10-F28 HydrophobicContact CG-CB 4.24Å; M10-F28 HydrophobicContact CG-CD2 4.11Å; M10-F28 HydrophobicContact CG-CG 4.14Å
11K83.8Confident77.2Confident76 Ų7697.9 Ų97.933%0.3352%0.522SS..Hα-helixtrans-62.2-45.5175.7-165-177.8-176.4-174.30112Y7 E8 L13 L14 E15 I21 F28Y7-K11 PolarHBondContact O-N 2.73Å; E8-K11 PolarHBondContact O-N 2.94Å; K11-L13 VanDerWaalsContact C-N 3.29Å; K11-L13 PolarHBondContact O-N 3.37Å; K11-L14 WeakPolarHBondContact O-CB 3.49Å; K11-L14 PolarHBondContact O-N 2.89Å; K11-L14 VanDerWaalsContact O-N 3.15Å; K11-E15 PolarHBondContact O-N 2.96Å; K11-I21 HydrophobicContact CG-CD1 4.05Å; K11-I21 HydrophobicContact CG-CG2 4.24Å; K11-F28 HydrophobicContact CB-CE2 4.44Å; K11-F28 HydrophobicContact CB-CZ 4.38Å
12K85.7Confident78.9Confident136 Ų13690.2 Ų90.259%0.59149%0.492SS*.Hα-helixtrans-59.6-38.2174.1-75.4178179.6-177.80112.5E8 S9 E15 C16E8-K12 WeakPolarHBondContact O-CG 3.4Å; E8-K12 PolarHBondContact O-N 3.11Å; S9-K12 PolarHBondContact O-N 3.21Å; K12-E15 PolarHBondContact O-N 3.09Å; K12-C16 PolarHBondContact O-N 3.1Å; K12-C16 PolarHBondContact O-SG 3.49Å
13L85.4Confident79.6Confident80 Ų8093.9 Ų93.942%0.41950%0.496SS..Hα-helixtrans-63.8-40175.7-77.5167.6000112.2R5 S9 M10 K11 C16 A17R5-L13 VanDerWaalsContact NH1-CD1 3.3Å; S9-L13 WeakPolarHBondContact O-CG 3.26Å; S9-L13 PolarHBondContact O-N 3.31Å; S9-L13 VanDerWaalsContact O-N 3.08Å; M10-L13 WeakPolarHBondContact O-CB 3.46Å; M10-L13 PolarHBondContact O-N 2.88Å; M10-L13 HydrophobicContact SD-CD1 4.18Å; K11-L13 VanDerWaalsContact C-N 3.29Å; K11-L13 PolarHBondContact O-N 3.37Å; L13-C16 PolarHBondContact O-N 3.13Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.39Å
14L83.9Confident80.1Confident39 Ų3989.3 Ų89.320%0.20447%0.468CS..Hα-helixtrans-65.4-41.3174.5-70.9-174.6000112.5M10 K11 A17 K18 L19 T24 F28M10-L14 PolarHBondContact O-N 3.2Å; M10-L14 VanDerWaalsContact O-N 3.1Å; K11-L14 WeakPolarHBondContact O-CB 3.49Å; K11-L14 PolarHBondContact O-N 2.89Å; K11-L14 VanDerWaalsContact O-N 3.15Å; L14-A17 CarbonylContact O-C 3.53Å; L14-A17 WeakPolarHBondContact O-CA 3.31Å; L14-A17 PolarHBondContact O-N 3.03Å; L14-A17 VanDerWaalsContact O-N 3.11Å; L14-K18 PolarHBondContact O-N 2.77Å; L14-K18 VanDerWaalsContact O-N 3.09Å; L14-L19 HydrophobicContact CB-CB 4.45Å; L14-L19 HydrophobicContact CD2-CB 4.17Å; L14-L19 HydrophobicContact CD2-CD1 3.58Å; L14-L19 PolarHBondContact O-N 3.25Å; L14-T24 HydrophobicContact CD1-CG2 3.73Å; L14-F28 HydrophobicContact CD1-CE1 3.49Å; L14-F28 VanDerWaalsContact CD1-CE1 3.49Å; L14-F28 HydrophobicContact CD1-CZ 3.96Å; L14-F28 HydrophobicContact CG-CE1 4.27Å
15E84.1Confident80.4Confident108 Ų10885.6 Ų85.651%0.50544%0.442SS..Hα-helixtrans-59.1-46.5174.7-74.6173.1-173.200111.1K11 K12 A17 K18 I21K11-E15 PolarHBondContact O-N 2.96Å; K12-E15 PolarHBondContact O-N 3.09Å; E15-A17 VanDerWaalsContact C-N 3.25Å; E15-A17 PolarHBondContact O-N 2.85Å; E15-K18 PolarHBondContact O-N 3.43Å; E15-I21 HydrophobicContact CG-CD1 3.48Å; E15-I21 VanDerWaalsContact CG-CD1 3.48Å; E15-I21 HydrophobicContact CG-CG1 4.44Å; E15-I21 WeakPolarHBondContact OE1-CD1 3.1Å
16C87.1Confident80.6Confident106 Ų10681.8 Ų81.872%0.71643%0.432SS*.Hα-helixtrans-60.5-35.5174.2-70.90000112.6K12 L13 K18K12-C16 PolarHBondContact O-N 3.1Å; K12-C16 PolarHBondContact O-SG 3.49Å; L13-C16 PolarHBondContact O-N 3.13Å; C16-K18 PolarHBondContact O-N 3.38Å
17A85.5Confident80.5Confident60 Ų6078.8 Ų78.850%0.49641%0.413SS..THydrogen-bonded Turntrans-78.5-0.9176.700000113.7L13 L14 E15 L19L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.39Å; L14-A17 CarbonylContact O-C 3.53Å; L14-A17 WeakPolarHBondContact O-CA 3.31Å; L14-A17 PolarHBondContact O-N 3.03Å; L14-A17 VanDerWaalsContact O-N 3.11Å; E15-A17 VanDerWaalsContact C-N 3.25Å; E15-A17 PolarHBondContact O-N 2.85Å; A17-L19 HydrophobicContact CB-CD1 4.04Å; A17-L19 HydrophobicContact CB-CG 4.09Å; A17-L19 PolarHBondContact O-N 2.99Å
18K85.5Confident80.5Confident197 Ų19778.4 Ų78.486%0.85741%0.412SS*.THydrogen-bonded Turntrans56.733.3-175.9-55.8-179.6178.9179.50113.3L14 E15 C16L14-K18 PolarHBondContact O-N 2.77Å; L14-K18 VanDerWaalsContact O-N 3.09Å; E15-K18 PolarHBondContact O-N 3.43Å; C16-K18 PolarHBondContact O-N 3.38Å
19L81.2Confident80.4Confident101 Ų10176 Ų7653%0.52940%0.4SS..  trans-90.9139175.8-67.5172.5000110.1L14 A17 I21L14-L19 HydrophobicContact CB-CB 4.45Å; L14-L19 HydrophobicContact CD2-CB 4.17Å; L14-L19 HydrophobicContact CD2-CD1 3.58Å; L14-L19 PolarHBondContact O-N 3.25Å; A17-L19 HydrophobicContact CB-CD1 4.04Å; A17-L19 HydrophobicContact CB-CG 4.09Å; A17-L19 PolarHBondContact O-N 2.99Å; L19-I21 PolarHBondContact O-N 3.16Å
20D77.7Confident80.3Confident97 Ų9775.1 Ų75.152%0.51939%0.394SS..  trans-72.7117.7178.5-177.66.5000110.5S22 F23D20-S22 PolarHBondContact O-N 3.11Å; D20-S22 VanDerWaalsContact OD1-CB 3.23Å; D20-S22 WeakPolarHBondContact OD1-CB 3.33Å; D20-S22 PolarHBondContact OD1-N 3.01Å; D20-S22 PolarHBondContact OD1-OG 3.23Å; D20-S22 VanDerWaalsContact OD1-OG 3.07Å; D20-S22 PolarHBondContact OD2-OG 3.26Å; D20-F23 HydrophobicContact CB-CD2 3.82Å; D20-F23 HydrophobicContact CB-CE2 3.86Å; D20-F23 WeakPolarHBondContact OD2-CE2 3.19Å
21I72.1Confident80.4Confident39 Ų3976.4 Ų76.420%0.240%0.403CS..G310 helixtrans-72.2-17.3-176.6-52165.5000111K11 E15 L19 F23 T24K11-I21 HydrophobicContact CG-CD1 4.05Å; K11-I21 HydrophobicContact CG-CG2 4.24Å; E15-I21 HydrophobicContact CG-CD1 3.48Å; E15-I21 VanDerWaalsContact CG-CD1 3.48Å; E15-I21 HydrophobicContact CG-CG1 4.44Å; E15-I21 WeakPolarHBondContact OE1-CD1 3.1Å; L19-I21 PolarHBondContact O-N 3.16Å; I21-F23 PolarHBondContact O-N 3.1Å; I21-F23 VanDerWaalsContact O-N 3.11Å; I21-T24 HydrophobicContact CG2-CG2 4.29Å; I21-T24 WeakPolarHBondContact O-CB 3.46Å; I21-T24 PolarHBondContact O-N 3.44Å; I21-T24 PolarHBondContact O-OG1 2.68Å
22S72.7Confident80.4Confident82 Ų8276.4 Ų76.457%0.57340%0.403SS*.G310 helixtrans-58.8-23.7178.7780000113.2D20 T24D20-S22 PolarHBondContact O-N 3.11Å; D20-S22 VanDerWaalsContact OD1-CB 3.23Å; D20-S22 WeakPolarHBondContact OD1-CB 3.33Å; D20-S22 PolarHBondContact OD1-N 3.01Å; D20-S22 PolarHBondContact OD1-OG 3.23Å; D20-S22 VanDerWaalsContact OD1-OG 3.07Å; D20-S22 PolarHBondContact OD2-OG 3.26Å; S22-T24 VanDerWaalsContact C-N 3.32Å
23F66.1Low80.4Confident174 Ų17475.2 Ų75.276%0.76340%0.398SS*.G310 helixtrans-81.7-4.2177-64.6-76.8000114.3D20 I21D20-F23 HydrophobicContact CB-CD2 3.82Å; D20-F23 HydrophobicContact CB-CE2 3.86Å; D20-F23 WeakPolarHBondContact OD2-CE2 3.19Å; I21-F23 PolarHBondContact O-N 3.1Å; I21-F23 VanDerWaalsContact O-N 3.11Å
24T67.1Low79.7Confident31 Ų3176.1 Ų76.119%0.1940%0.403CS..  trans-82.1131.8-179.364.40000111.6L14 I21 S22 N26 F28L14-T24 HydrophobicContact CD1-CG2 3.73Å; I21-T24 HydrophobicContact CG2-CG2 4.29Å; I21-T24 WeakPolarHBondContact O-CB 3.46Å; I21-T24 PolarHBondContact O-N 3.44Å; I21-T24 PolarHBondContact O-OG1 2.68Å; S22-T24 VanDerWaalsContact C-N 3.32Å; T24-N26 VanDerWaalsContact C-N 3.26Å; T24-N26 PolarHBondContact O-N 2.79Å; T24-F28 HydrophobicContact CG2-CE1 4.01Å; T24-F28 HydrophobicContact CG2-CZ 4.35Å
25S71.5Confident79Confident36 Ų3676.8 Ų76.825%0.25241%0.411SS..  trans-89.330.7179.754.50000113.3I27S25-I27 PolarHBondContact O-N 3.04Å; S25-I27 VanDerWaalsContact O-N 3.16Å
26N79.2Confident78.6Confident56 Ų5676.8 Ų76.830%0.29942%0.42SS..SBendtrans61.56.6-168.1-57.1-23.7000115Y7 T24 P112 N115 L116Y7-N26 WeakPolarHBondContact CE2-O 3.43Å; T24-N26 VanDerWaalsContact C-N 3.26Å; T24-N26 PolarHBondContact O-N 2.79Å; N26-P112 PolarHBondContact ND2-O 3.49Å; N26-N115 WeakPolarHBondContact CB-OD1 3.47Å; N26-N115 WeakPolarHBondContact O-CA 3.19Å; N26-L116 PolarHBondContact O-N 3.43Å
27I81.3Confident78Confident25 Ų2574.1 Ų74.113%0.12840%0.398CS..EExtended strand (participates in β ladder)trans-116.1125.5178.9-51.2175.2000109.4S25 Q29 C105 P112 L116 L118S25-I27 PolarHBondContact O-N 3.04Å; S25-I27 VanDerWaalsContact O-N 3.16Å; I27-Q29 HydrophobicContact CG2-CG 4.08Å; I27-C105 VanDerWaalsContact CD1-SG 3.54Å; I27-P112 HydrophobicContact CD1-CG 3.47Å; I27-P112 VanDerWaalsContact CD1-CG 3.47Å; I27-P112 HydrophobicContact CG1-CG 3.44Å; I27-P112 VanDerWaalsContact CG1-CG 3.44Å; I27-L116 CarbonylContact C-O 3.57Å; I27-L116 WeakPolarHBondContact CA-O 3.22Å; I27-L118 HydrophobicContact CG2-CD1 3.83Å; I27-L118 HydrophobicContact CG2-CG 4.14Å
28F83.4Confident77.3Confident16 Ų1678.2 Ų78.27%0.0741%0.411CS..EExtended strand (participates in β ladder)trans-102.3127.1162.2-69.3-60000109.8Y7 M10 K11 L14 T24 L116 V117 L118Y7-F28 HydrophobicContact CD1-CE2 4.22Å; Y7-F28 AromaticContact CD2-CD2 3.3Å; Y7-F28 HydrophobicContact CD2-CD2 3.3Å; Y7-F28 AromaticContact CD2-CE2 3.43Å; Y7-F28 HydrophobicContact CD2-CE2 3.43Å; Y7-F28 VanDerWaalsContact CD2-CE2 3.43Å; Y7-F28 HydrophobicContact CD2-CG 4.5Å; Y7-F28 HydrophobicContact CE1-CE2 4.08Å; Y7-F28 AromaticContact CE2-CD2 3.46Å; Y7-F28 HydrophobicContact CE2-CD2 3.46Å; Y7-F28 VanDerWaalsContact CE2-CD2 3.46Å; Y7-F28 AromaticContact CE2-CE2 3.28Å; Y7-F28 HydrophobicContact CE2-CE2 3.28Å; Y7-F28 HydrophobicContact CE2-CZ 4.23Å; Y7-F28 HydrophobicContact CG-CD2 4.01Å; Y7-F28 AromaticContact CG-CE2 3.9Å; Y7-F28 HydrophobicContact CG-CE2 3.9Å; Y7-F28 AromaticContact CZ-CE2 3.62Å; M10-F28 HydrophobicContact CB-CB 4.29Å; M10-F28 HydrophobicContact CB-CD1 4.06Å; M10-F28 HydrophobicContact CB-CD2 3.39Å; M10-F28 HydrophobicContact CB-CE1 4.27Å; M10-F28 HydrophobicContact CB-CE2 3.61Å; M10-F28 HydrophobicContact CB-CG 3.64Å; M10-F28 HydrophobicContact CB-CZ 4.06Å; M10-F28 HydrophobicContact CE-CB 4.25Å; M10-F28 HydrophobicContact CE-CD1 4.5Å; M10-F28 HydrophobicContact CE-CG 4.45Å; M10-F28 HydrophobicContact CG-CB 4.24Å; M10-F28 HydrophobicContact CG-CD2 4.11Å; M10-F28 HydrophobicContact CG-CG 4.14Å; K11-F28 HydrophobicContact CB-CE2 4.44Å; K11-F28 HydrophobicContact CB-CZ 4.38Å; L14-F28 HydrophobicContact CD1-CE1 3.49Å; L14-F28 VanDerWaalsContact CD1-CE1 3.49Å; L14-F28 HydrophobicContact CD1-CZ 3.96Å; L14-F28 HydrophobicContact CG-CE1 4.27Å; T24-F28 HydrophobicContact CG2-CE1 4.01Å; T24-F28 HydrophobicContact CG2-CZ 4.35Å; F28-L116 PolarHBondContact N-O 3.1Å; F28-V117 HydrophobicContact CB-CG1 4.41Å; F28-V117 HydrophobicContact CB-CG2 4.31Å; F28-V117 HydrophobicContact CD2-CG2 4.44Å; F28-V117 CarbonylContact O-C 3.5Å; F28-V117 WeakPolarHBondContact O-CA 3.23Å; F28-L118 PolarHBondContact O-N 3.28Å
29Q83.5Confident76.7Confident61 Ų6169.7 Ų69.729%0.28538%0.376SS..EExtended strand (participates in β ladder)trans-105.5106.8172.1-69.4-178.887.300109.3I27 C105 L118I27-Q29 HydrophobicContact CG2-CG 4.08Å; Q29-C105 HydrophobicContact CG-CB 4.41Å; Q29-C105 PolarHBondContact NE2-O 2.82Å; Q29-L118 CarbonylContact C-O 3.6Å; Q29-L118 WeakPolarHBondContact CA-O 3.38Å; Q29-L118 HydrophobicContact CG-CB 4.24Å; Q29-L118 HydrophobicContact CG-CD1 4.42Å
30S84.7Confident76.6Confident31 Ų3171.3 Ų71.322%0.21738%0.381CS..EExtended strand (participates in β ladder)trans-85.5121.3173.6-174.40000109.6L118 V119 A120S30-L118 PolarHBondContact N-O 2.94Å; S30-V119 CarbonylContact O-C 3.55Å; S30-V119 WeakPolarHBondContact O-CA 3.43Å; S30-A120 PolarHBondContact O-N 2.76Å
31V86.2Confident77Confident53 Ų5374.3 Ų74.332%0.32139%0.392SS..EExtended strand (participates in β ladder)trans-78.5130.5175.1-177.80000109.7F33 W104 I122V31-F33 HydrophobicContact CG1-CE1 4.39Å; V31-F33 HydrophobicContact CG1-CE2 4.04Å; V31-F33 HydrophobicContact CG1-CZ 3.9Å; V31-W104 HydrophobicContact CG2-CH2 3.85Å; V31-W104 HydrophobicContact CG2-CZ3 4.48Å; V31-I122 HydrophobicContact CG1-CD1 3.46Å; V31-I122 VanDerWaalsContact CG1-CD1 3.46Å; V31-I122 HydrophobicContact CG1-CG1 3.22Å
32K85.1Confident77.7Confident77 Ų7777.2 Ų77.234%0.33540%0.401SS..EExtended strand (participates in β ladder)trans-123.8134.2179.4-167.3175.7-177.7-134.50110.9D34 V119 A120 P121 I122K32-D34 WeakPolarHBondContact CD-OD2 2.84Å; K32-D34 WeakPolarHBondContact CE-OD1 3.43Å; K32-D34 WeakPolarHBondContact CE-OD2 3.39Å; K32-D34 WeakPolarHBondContact CG-OD1 3.41Å; K32-D34 WeakPolarHBondContact CG-OD2 3.49Å; K32-D34 IonicContact NZ-OD1 3.1Å; K32-D34 PolarHBondContact NZ-OD1 2.93Å; K32-D34 VanDerWaalsContact NZ-OD1 3.1Å; K32-D34 IonicContact NZ-OD2 2.63Å; K32-D34 PolarHBondContact NZ-OD2 2.79Å; K32-V119 HydrophobicContact CB-CG1 3.67Å; K32-V119 HydrophobicContact CD-CG1 3.78Å; K32-V119 HydrophobicContact CG-CG1 4.36Å; K32-A120 PolarHBondContact N-O 2.61Å; K32-P121 CarbonylContact O-C 3.57Å; K32-P121 WeakPolarHBondContact O-CA 3.45Å; K32-I122 PolarHBondContact O-N 3.45Å
33F84.1Confident78.5Confident111 Ų11179.2 Ų79.249%0.48740%0.4SS..  trans-108.191.2-178.6-61-82.3000109.3V31 L37 L99 I122V31-F33 HydrophobicContact CG1-CE1 4.39Å; V31-F33 HydrophobicContact CG1-CE2 4.04Å; V31-F33 HydrophobicContact CG1-CZ 3.9Å; F33-L37 HydrophobicContact CB-CD1 4.06Å; F33-L37 HydrophobicContact CB-CD2 4.21Å; F33-L37 HydrophobicContact CD1-CD1 3.39Å; F33-L37 HydrophobicContact CD1-CD2 3.67Å; F33-L37 HydrophobicContact CD1-CG 4.16Å; F33-L37 HydrophobicContact CE1-CD1 4.16Å; F33-L37 HydrophobicContact CG-CD1 4.05Å; F33-L37 HydrophobicContact CG-CD2 4.43Å; F33-L99 HydrophobicContact CE1-CD2 4.32Å; F33-I122 HydrophobicContact CD1-CB 4.03Å; F33-I122 HydrophobicContact CD1-CG1 4.03Å; F33-I122 HydrophobicContact CD1-CG2 4.37Å; F33-I122 HydrophobicContact CE1-CB 4.22Å; F33-I122 HydrophobicContact CE1-CG1 3.85Å; F33-I122 HydrophobicContact CE1-CG2 4.35Å; F33-I122 HydrophobicContact CZ-CG1 4.44Å
34D71.4Confident79.8Confident98 Ų9873.2 Ų73.252%0.52438%0.376SS..  trans-113.2-12-170.2-78.8-23.4000115.1K32K32-D34 WeakPolarHBondContact CD-OD2 2.84Å; K32-D34 WeakPolarHBondContact CE-OD1 3.43Å; K32-D34 WeakPolarHBondContact CE-OD2 3.39Å; K32-D34 WeakPolarHBondContact CG-OD1 3.41Å; K32-D34 WeakPolarHBondContact CG-OD2 3.49Å; K32-D34 IonicContact NZ-OD1 3.1Å; K32-D34 PolarHBondContact NZ-OD1 2.93Å; K32-D34 VanDerWaalsContact NZ-OD1 3.1Å; K32-D34 IonicContact NZ-OD2 2.63Å; K32-D34 PolarHBondContact NZ-OD2 2.79Å
35C70.4Confident81Confident54 Ų5475.4 Ų75.437%0.36539%0.385SS..SBendtrans-125.1165.2-176.852.90000110.6L37 I122C35-L37 WeakPolarHBondContact O-CD2 3.31Å; C35-L37 WeakPolarHBondContact O-CG 3.35Å; C35-L37 PolarHBondContact O-N 3.43Å; C35-I122 PolarHBondContact SG-O 3.48Å
36P73.7Confident82Confident108 Ų10878.8 Ų78.870%0.70140%0.397SS*.  trans-57.7102.2172.821-31.8000110.4L38 S39P36-L38 PolarHBondContact O-N 2.88Å; P36-S39 PolarHBondContact O-N 3.38Å; P36-S39 VanDerWaalsContact O-N 3.14Å
37L74.7Confident82.5Confident49 Ų4978.5 Ų78.526%0.25740%0.397SS..THydrogen-bonded Turntrans-65.7-21.6-172.1-60.7177.8000113.5F33 C35 S39 I122 A124 V125F33-L37 HydrophobicContact CB-CD1 4.06Å; F33-L37 HydrophobicContact CB-CD2 4.21Å; F33-L37 HydrophobicContact CD1-CD1 3.39Å; F33-L37 HydrophobicContact CD1-CD2 3.67Å; F33-L37 HydrophobicContact CD1-CG 4.16Å; F33-L37 HydrophobicContact CE1-CD1 4.16Å; F33-L37 HydrophobicContact CG-CD1 4.05Å; F33-L37 HydrophobicContact CG-CD2 4.43Å; C35-L37 WeakPolarHBondContact O-CD2 3.31Å; C35-L37 WeakPolarHBondContact O-CG 3.35Å; C35-L37 PolarHBondContact O-N 3.43Å; L37-S39 PolarHBondContact O-N 3.22Å; L37-I122 HydrophobicContact CD2-CB 4.23Å; L37-I122 HydrophobicContact CD2-CG2 4Å; L37-A124 WeakPolarHBondContact O-CA 3.44Å; L37-V125 HydrophobicContact CB-CB 4.25Å; L37-V125 HydrophobicContact CB-CG2 3.8Å; L37-V125 HydrophobicContact CD1-CG2 4.13Å; L37-V125 HydrophobicContact CD2-CG2 4.26Å; L37-V125 HydrophobicContact CG-CG2 4.28Å; L37-V125 PolarHBondContact O-N 3.46Å
38L71.3Confident82.8Confident147 Ų14779.7 Ų79.777%0.7741%0.406SS*.THydrogen-bonded Turntrans-9128.4176.5-63.6171.6000112P36 E40P36-L38 PolarHBondContact O-N 2.88Å; L38-E40 PolarHBondContact O-N 2.89Å
39S72.4Confident83.1Confident17 Ų1785.3 Ų85.312%0.11944%0.437CS..  trans-58.6125.4178.9179.10000111P36 L37 E41 K126P36-S39 PolarHBondContact O-N 3.38Å; P36-S39 VanDerWaalsContact O-N 3.14Å; L37-S39 PolarHBondContact O-N 3.22Å; S39-E41 PolarHBondContact O-N 2.93Å; S39-E41 VanDerWaalsContact OG-CB 3.25Å; S39-E41 WeakPolarHBondContact OG-CB 3.24Å; S39-E41 VanDerWaalsContact OG-CG 3.23Å; S39-E41 WeakPolarHBondContact OG-CG 3.39Å; S39-E41 PolarHBondContact OG-N 3.48Å; S39-E41 PolarHBondContact OG-OE2 3.37Å; S39-K126 WeakPolarHBondContact O-CE 3.35Å; S39-K126 PolarHBondContact O-NZ 3.44Å
40E80.2Confident83.4Confident136 Ų13687.7 Ų87.764%0.63644%0.444SS*.THydrogen-bonded Turntrans-76.4-4.6172.6-71.9-59.8137.600112.8L38 Y42 K43L38-E40 PolarHBondContact O-N 2.89Å; E40-Y42 VanDerWaalsContact C-N 3.28Å; E40-Y42 PolarHBondContact O-N 2.77Å; E40-K43 IonicContact OE2-NZ 3.94Å
41E84.9Confident83.4Confident160 Ų16086.2 Ų86.275%0.74843%0.434SS*.THydrogen-bonded Turntrans-67.6-29.7-179.8-61.7170.5153.300112.3S39S39-E41 PolarHBondContact O-N 2.93Å; S39-E41 VanDerWaalsContact OG-CB 3.25Å; S39-E41 WeakPolarHBondContact OG-CB 3.24Å; S39-E41 VanDerWaalsContact OG-CG 3.23Å; S39-E41 WeakPolarHBondContact OG-CG 3.39Å; S39-E41 PolarHBondContact OG-N 3.48Å; S39-E41 PolarHBondContact OG-OE2 3.37Å
42Y87.4Confident83.5Confident99 Ų9985.2 Ų85.239%0.38843%0.43SS..  trans-104.5125.8179.3-60.7-79.3000110.7E40 Q123 A124 K126E40-Y42 VanDerWaalsContact C-N 3.28Å; E40-Y42 PolarHBondContact O-N 2.77Å; Y42-Q123 HydrophobicContact CE2-CB 4.31Å; Y42-A124 HydrophobicContact CD2-CB 4.01Å; Y42-A124 HydrophobicContact CG-CB 4.41Å; Y42-K126 WeakPolarHBondContact O-CE 3.34Å; Y42-K126 PolarHBondContact O-NZ 3.24Å
43K90.1Very high83.6Confident125 Ų12585.7 Ų85.754%0.54344%0.437SS..  trans-127.2142.8170.8-66.5-169.7175-1550109.2E40 F130E40-K43 IonicContact OE2-NZ 3.94Å; K43-F130 HydrophobicContact CB-CD2 4.28Å; K43-F130 HydrophobicContact CB-CE2 3.99Å; K43-F130 HydrophobicContact CD-CE2 3.71Å; K43-F130 HydrophobicContact CD-CZ 4.21Å; K43-F130 HydrophobicContact CG-CE2 4.1Å
44L92.4Very high83.5Confident48 Ų4882 Ų8225%0.25142%0.421SS..  trans-99.3127.2179.6-63178.5000108.8L98 L100 K126 Y129 F130L44-L98 HydrophobicContact CD1-CD1 3.66Å; L44-L100 HydrophobicContact CD1-CD1 4.39Å; L44-L100 HydrophobicContact CD1-CD2 4.34Å; L44-L100 HydrophobicContact CD2-CD1 3.99Å; L44-L100 HydrophobicContact CD2-CD2 3.74Å; L44-L100 HydrophobicContact CD2-CG 4.49Å; L44-L100 HydrophobicContact CG-CD1 4.27Å; L44-K126 HydrophobicContact CD1-CB 4.22Å; L44-K126 HydrophobicContact CD1-CG 4.47Å; L44-Y129 CarbonylContact O-C 3.56Å; L44-Y129 WeakPolarHBondContact O-CA 3.37Å; L44-F130 WeakPolarHBondContact O-CD2 3.47Å; L44-F130 PolarHBondContact O-N 3.1Å
45I92.9Very high84.1Confident76 Ų7680.2 Ų80.239%0.3941%0.413SS..BIsolated β-bridgetrans-120.8124.8175.4-57.7177.8000107.2V47 F130 L132I45-V47 HydrophobicContact CG2-CG1 4.17Å; I45-F130 CarbonylContact C-O 3.56Å; I45-F130 WeakPolarHBondContact CA-O 3.41Å; I45-F130 HydrophobicContact CG1-CB 4.17Å; I45-L132 HydrophobicContact CG2-CD1 4.25Å; I45-L132 HydrophobicContact CG2-CD2 4.09Å; I45-L132 HydrophobicContact CG2-CG 4.01Å
46E92.7Very high84.7Confident107 Ų10784.6 Ų84.650%0.543%0.43SS..  trans-74126.7169.4-175.6179.2169.800109.2Y129 F130 L132E46-Y129 HydrophobicContact CB-CD2 4.21Å; E46-Y129 HydrophobicContact CB-CE2 4.4Å; E46-Y129 WeakPolarHBondContact OE2-CE2 3.43Å; E46-F130 PolarHBondContact N-O 3.42Å; E46-L132 WeakPolarHBondContact O-CG 3.4Å
47V89.9Confident84.7Confident51 Ų5186.6 Ų86.631%0.30943%0.43SS..  trans-125.6136.5177.8-69.60000109.8I45 L51 A52 I64 L132I45-V47 HydrophobicContact CG2-CG1 4.17Å; V47-L51 HydrophobicContact CB-CD2 4.28Å; V47-L51 HydrophobicContact CB-CG 4.49Å; V47-L51 HydrophobicContact CG1-CD2 4.05Å; V47-A52 HydrophobicContact CG2-CB 3.98Å; V47-I64 HydrophobicContact CG1-CD1 4.48Å; V47-L132 HydrophobicContact CG1-CD1 4.05Å
48P87.7Confident84.4Confident49 Ų4988.4 Ų88.432%0.31844%0.436SS..  trans-66.2152.2174.228.3-34.3000110.5W50 L51 A52P48-W50 VanDerWaalsContact C-N 3.27Å; P48-W50 HydrophobicContact CG-CD2 4.48Å; P48-W50 HydrophobicContact CG-CZ2 3.98Å; P48-W50 PolarHBondContact O-N 2.91Å; P48-W50 VanDerWaalsContact O-N 3.12Å; P48-L51 HydrophobicContact CG-CB 3.83Å; P48-L51 WeakPolarHBondContact O-CA 3.37Å; P48-L51 WeakPolarHBondContact O-CB 2.86Å; P48-L51 PolarHBondContact O-N 3.32Å; P48-A52 PolarHBondContact O-N 2.88Å
49N90.2Very high83.7Confident135 Ų13591.3 Ų91.372%0.72244%0.442SS*.Hα-helixtrans-49-45.5-174.6-65.4-6.9000113.5L51 A52 D53N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.36Å; N49-A52 WeakPolarHBondContact O-CB 3.44Å; N49-A52 PolarHBondContact O-N 2.92Å; N49-D53 VanDerWaalsContact O-CG 3.22Å; N49-D53 PolarHBondContact O-N 2.82Å
50W88.2Confident83.1Confident111 Ų11197 Ų9742%0.4247%0.467SS..Hα-helixtrans-63.2-33.4-179.767.2-95.1000113.1P48 E54 I82 F87P48-W50 VanDerWaalsContact C-N 3.27Å; P48-W50 HydrophobicContact CG-CD2 4.48Å; P48-W50 HydrophobicContact CG-CZ2 3.98Å; P48-W50 PolarHBondContact O-N 2.91Å; P48-W50 VanDerWaalsContact O-N 3.12Å; W50-E54 WeakPolarHBondContact O-CB 3.35Å; W50-E54 PolarHBondContact O-N 2.98Å; W50-I82 HydrophobicContact CH2-CD1 3.73Å; W50-I82 HydrophobicContact CZ3-CD1 4.01Å; W50-F87 HydrophobicContact CH2-CZ 4.12Å; W50-F87 HydrophobicContact CZ2-CZ 4.04Å
51L86.2Confident82.5Confident0 Ų098.8 Ų98.80%048%0.481CS..Hα-helixtrans-77.4-35.7177.2-177.760.3000110.3V47 P48 N49 D53 E54 V55 I64 I82 L132V47-L51 HydrophobicContact CB-CD2 4.28Å; V47-L51 HydrophobicContact CB-CG 4.49Å; V47-L51 HydrophobicContact CG1-CD2 4.05Å; P48-L51 HydrophobicContact CG-CB 3.83Å; P48-L51 WeakPolarHBondContact O-CA 3.37Å; P48-L51 WeakPolarHBondContact O-CB 2.86Å; P48-L51 PolarHBondContact O-N 3.32Å; N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.36Å; L51-D53 VanDerWaalsContact C-N 3.35Å; L51-E54 PolarHBondContact O-N 3.02Å; L51-V55 HydrophobicContact CD1-CG2 4.48Å; L51-V55 WeakPolarHBondContact O-CB 3.38Å; L51-V55 WeakPolarHBondContact O-CG2 3.11Å; L51-V55 PolarHBondContact O-N 3.41Å; L51-I64 HydrophobicContact CD1-CD1 4.21Å; L51-I64 HydrophobicContact CD1-CG1 4.19Å; L51-I64 HydrophobicContact CD2-CD1 3.84Å; L51-I64 HydrophobicContact CD2-CG1 4.48Å; L51-I64 HydrophobicContact CG-CD1 4.1Å; L51-I82 HydrophobicContact CD1-CG2 4.03Å; L51-L132 HydrophobicContact CD2-CD1 3.83Å
52A88.1Confident81.7Confident31 Ų3198.1 Ų98.126%0.25648%0.478SS..Hα-helixtrans-60.3-46.5171.400000110.9V47 P48 N49 E54 V55 M56V47-A52 HydrophobicContact CG2-CB 3.98Å; P48-A52 PolarHBondContact O-N 2.88Å; N49-A52 WeakPolarHBondContact O-CB 3.44Å; N49-A52 PolarHBondContact O-N 2.92Å; A52-E54 VanDerWaalsContact C-N 3.3Å; A52-E54 PolarHBondContact O-N 3.13Å; A52-V55 PolarHBondContact O-N 3.12Å; A52-M56 WeakPolarHBondContact O-CB 3.39Å; A52-M56 VanDerWaalsContact O-CG 3.23Å; A52-M56 WeakPolarHBondContact O-CG 3.42Å; A52-M56 PolarHBondContact O-N 3.04Å
53D86.4Confident81.4Confident87 Ų8794.5 Ų94.547%0.46547%0.468SS..Hα-helixtrans-58.7-43.1175.1-66.5-24.7000110.8N49 L51 M56 H57N49-D53 VanDerWaalsContact O-CG 3.22Å; N49-D53 PolarHBondContact O-N 2.82Å; L51-D53 VanDerWaalsContact C-N 3.35Å; D53-M56 PolarHBondContact O-N 3.04Å; D53-H57 WeakPolarHBondContact O-CB 3.3Å; D53-H57 PolarHBondContact O-CD2 2.71Å; D53-H57 PolarHBondContact O-N 2.86Å
54E82.1Confident81.3Confident35 Ų3591.1 Ų91.116%0.16446%0.455CS..Hα-helixtrans-63.2-44.2177.3-170.1175.1176.600112.4W50 L51 A52 M56 H57 K58W50-E54 WeakPolarHBondContact O-CB 3.35Å; W50-E54 PolarHBondContact O-N 2.98Å; L51-E54 PolarHBondContact O-N 3.02Å; A52-E54 VanDerWaalsContact C-N 3.3Å; A52-E54 PolarHBondContact O-N 3.13Å; E54-M56 VanDerWaalsContact C-N 3.31Å; E54-M56 PolarHBondContact O-N 2.95Å; E54-H57 PolarHBondContact O-N 3.45Å; E54-K58 HydrophobicContact CG-CD 3.59Å; E54-K58 HydrophobicContact CG-CG 3.93Å; E54-K58 VanDerWaalsContact O-CB 3.24Å; E54-K58 WeakPolarHBondContact O-CB 3.32Å; E54-K58 PolarHBondContact O-N 3.04Å; E54-K58 WeakPolarHBondContact OE1-CE 3.49Å; E54-K58 IonicContact OE1-NZ 3.89Å; E54-K58 PolarHBondContact OE1-NZ 3.45Å
55V83.7Confident81.3Confident59 Ų5991.3 Ų91.336%0.35846%0.459SS..Hα-helixtrans-64.6-35.5176.1174.70000111.4L51 A52 A63 I64L51-V55 HydrophobicContact CD1-CG2 4.48Å; L51-V55 WeakPolarHBondContact O-CB 3.38Å; L51-V55 WeakPolarHBondContact O-CG2 3.11Å; L51-V55 PolarHBondContact O-N 3.41Å; A52-V55 PolarHBondContact O-N 3.12Å; V55-A63 HydrophobicContact CB-CB 4.3Å; V55-A63 HydrophobicContact CG2-CB 3.66Å; V55-I64 HydrophobicContact CG2-CD1 3.99Å; V55-I64 HydrophobicContact CG2-CG1 4.34Å
56M83.5Confident81.2Confident146 Ų14692.6 Ų92.672%0.71947%0.466SS*.Hα-helixtrans-79.5-34.1179.2-67.8-6598.900113.2A52 D53 E54A52-M56 WeakPolarHBondContact O-CB 3.39Å; A52-M56 VanDerWaalsContact O-CG 3.23Å; A52-M56 WeakPolarHBondContact O-CG 3.42Å; A52-M56 PolarHBondContact O-N 3.04Å; D53-M56 PolarHBondContact O-N 3.04Å; E54-M56 VanDerWaalsContact C-N 3.31Å; E54-M56 PolarHBondContact O-N 2.95Å
57H74.4Confident81.2Confident151 Ų15189.9 Ų89.970%0.69945%0.452SS*.Hα-helixtrans-100.1-28.1-172-67.4-54.1000114.6D53 E54 K59D53-H57 WeakPolarHBondContact O-CB 3.3Å; D53-H57 PolarHBondContact O-CD2 2.71Å; D53-H57 PolarHBondContact O-N 2.86Å; E54-H57 PolarHBondContact O-N 3.45Å; H57-K59 PolarHBondContact O-N 3.02Å
58K67.3Low81.2Confident86 Ų8691.1 Ų91.137%0.37446%0.463SS..  trans-72.7121.9175.3-76.3-168.7173.1177.90109.5E54 E60E54-K58 HydrophobicContact CG-CD 3.59Å; E54-K58 HydrophobicContact CG-CG 3.93Å; E54-K58 VanDerWaalsContact O-CB 3.24Å; E54-K58 WeakPolarHBondContact O-CB 3.32Å; E54-K58 PolarHBondContact O-N 3.04Å; E54-K58 WeakPolarHBondContact OE1-CE 3.49Å; E54-K58 IonicContact OE1-NZ 3.89Å; E54-K58 PolarHBondContact OE1-NZ 3.45Å; K58-E60 PolarHBondContact O-N 3Å
59K57.7Low81Confident208 Ų20889.1 Ų89.190%0.90445%0.45SS*.  trans-73.4-5.2167.6-74.3-172.4176.9-177.40113.3H57 N61H57-K59 PolarHBondContact O-N 3.02Å; K59-N61 PolarHBondContact O-N 3.34Å
60E60.2Low80.4Confident138 Ų13890.3 Ų90.365%0.64545%0.451SS*.SBendtrans-69.5128174.5-75.4179.716500109.1K58 Q62K58-E60 PolarHBondContact O-N 3Å; E60-Q62 PolarHBondContact O-N 3.35Å
61N65.8Low79.9Confident172 Ų17288.6 Ų88.692%0.9245%0.446SS*.SBendtrans-60.4-6.6-174.6-86.6-6.4000114.8K59K59-N61 PolarHBondContact O-N 3.34Å
62Q69.6Low79.2Confident147 Ų14793.5 Ų93.569%0.68748%0.478SS*.  trans-139.598.3-178.9-84179.3-25.400111.2E60E60-Q62 PolarHBondContact O-N 3.35Å
63A79.9Confident78.6Confident22 Ų2299.3 Ų99.318%0.18250%0.504CS..SBendtrans-84.3-3617000000112.2V55V55-A63 HydrophobicContact CB-CB 4.3Å; V55-A63 HydrophobicContact CG2-CB 3.66Å
64I88.7Confident77.9Confident55 Ų55102.8 Ų102.828%0.28252%0.523SS..  trans-135129-176.2-56.2170.8000108.8V47 L51 V55 L66 A80 I82V47-I64 HydrophobicContact CG1-CD1 4.48Å; L51-I64 HydrophobicContact CD1-CD1 4.21Å; L51-I64 HydrophobicContact CD1-CG1 4.19Å; L51-I64 HydrophobicContact CD2-CD1 3.84Å; L51-I64 HydrophobicContact CD2-CG1 4.48Å; L51-I64 HydrophobicContact CG-CD1 4.1Å; V55-I64 HydrophobicContact CG2-CD1 3.99Å; V55-I64 HydrophobicContact CG2-CG1 4.34Å; I64-L66 HydrophobicContact CG2-CD2 4.49Å; I64-A80 HydrophobicContact CG2-CB 3.81Å; I64-I82 HydrophobicContact CG1-CG2 4.14Å
65T91.2Very high77.7Confident52 Ų52105.9 Ų105.932%0.31955%0.545SS..EExtended strand (participates in β ladder)trans-110.6121.1173.7-58.80000109.9K67 C81T65-K67 HydrophobicContact CG2-CG 4.21Å; T65-C81 PolarHBondContact N-O 3.01Å; T65-C81 PolarHBondContact O-N 3.38Å
66L92.1Very high77.7Confident103 Ų103104 Ų10454%0.53954%0.537SS..EExtended strand (participates in β ladder)trans-83.6125.9173.5-62.1-179.9000110I64 F79 A80 V89I64-L66 HydrophobicContact CG2-CD2 4.49Å; L66-F79 CarbonylContact C-O 3.48Å; L66-F79 WeakPolarHBondContact CA-O 3.38Å; L66-A80 HydrophobicContact CD2-CB 3.83Å; L66-V89 HydrophobicContact CD2-CG2 4.36Å
67K92.3Very high77.9Confident49 Ų49102.3 Ų102.321%0.21352%0.523CS..EExtended strand (participates in β ladder)trans-122.5155175.5-63.1-171.9179.1-1760109.7T65 F79 E178 P182 C183T65-K67 HydrophobicContact CG2-CG 4.21Å; K67-F79 PolarHBondContact N-O 3.15Å; K67-F79 PolarHBondContact O-N 2.95Å; K67-E178 PolarHBondContact NZ-O 2.9Å; K67-E178 VanDerWaalsContact NZ-O 3.08Å; K67-P182 HydrophobicContact CB-CB 3.79Å; K67-C183 PolarHBondContact NZ-O 3.01Å
68S88.9Confident78.7Confident77 Ų7798 Ų9854%0.53851%0.507SS..EExtended strand (participates in β ladder)trans-122.1142.4176.364.90000110.7H70 R77S68-H70 PolarHBondContact O-N 3.02Å; S68-R77 WeakPolarHBondContact CA-O 3.36Å
69E84.4Confident80Confident8 Ų894.7 Ų94.74%0.03749%0.493CS..  trans-66.5126.8171.3-174.1-179.9-146.900109.6K71 G76 R77 F79 Q142 P182E69-K71 HydrophobicContact CG-CG 4.29Å; E69-K71 PolarHBondContact O-N 2.71Å; E69-K71 IonicContact OE1-NZ 3.28Å; E69-K71 PolarHBondContact OE1-NZ 3Å; E69-K71 VanDerWaalsContact OE2-CE 3.25Å; E69-K71 WeakPolarHBondContact OE2-CE 3.25Å; E69-K71 IonicContact OE2-NZ 2.76Å; E69-K71 PolarHBondContact OE2-NZ 2.96Å; E69-G76 WeakPolarHBondContact O-CA 3.27Å; E69-R77 PolarHBondContact N-O 2.8Å; E69-R77 IonicContact OE1-NH2 3.43Å; E69-R77 PolarHBondContact OE1-NH2 3.1Å; E69-R77 VanDerWaalsContact OE1-NH2 3.11Å; E69-R77 IonicContact OE2-CZ 3.2Å; E69-R77 IonicContact OE2-NE 3.67Å; E69-R77 PolarHBondContact OE2-NE 3.1Å; E69-R77 IonicContact OE2-NH2 3.48Å; E69-F79 HydrophobicContact CB-CE2 4.14Å; E69-Q142 PolarHBondContact OE1-NE2 3.29Å; E69-P182 HydrophobicContact CB-CG 4.31Å
70H78.7Confident81.7Confident160 Ų16084.9 Ų84.974%0.74145%0.45SS*.  trans-73.694.5178.9-168.8-65.2000110.7S68S68-H70 PolarHBondContact O-N 3.02Å
71K75.7Confident83.2Confident75 Ų7578.5 Ų78.533%0.32642%0.421SS..  trans-116.4150171.7-80.8179.5172.7153.20111.1E69 N73 N74E69-K71 HydrophobicContact CG-CG 4.29Å; E69-K71 PolarHBondContact O-N 2.71Å; E69-K71 IonicContact OE1-NZ 3.28Å; E69-K71 PolarHBondContact OE1-NZ 3Å; E69-K71 VanDerWaalsContact OE2-CE 3.25Å; E69-K71 WeakPolarHBondContact OE2-CE 3.25Å; E69-K71 IonicContact OE2-NZ 2.76Å; E69-K71 PolarHBondContact OE2-NZ 2.96Å; K71-N73 PolarHBondContact O-N 3.39Å; K71-N74 PolarHBondContact O-N 3.29Å
72P72.4Confident84.4Confident103 Ų10370.9 Ų70.967%0.66938%0.38SS*.G310 helixtrans-52143.1170-19.629.9000110.3N74 T75P72-N74 VanDerWaalsContact C-N 3.33Å; P72-N74 PolarHBondContact O-N 2.93Å; P72-T75 PolarHBondContact O-OG1 3.38Å
73N75.1Confident85.1Confident152 Ų15267.6 Ų67.681%0.81337%0.373SS*.G310 helixtrans65.521.9176.7-51.9-25.9000116.4K71 T75K71-N73 PolarHBondContact O-N 3.39Å; N73-T75 HydrophobicContact CB-CG2 4.28Å; N73-T75 PolarHBondContact O-N 2.88Å
74N73.1Confident85.4Confident161 Ų16169.2 Ų69.286%0.86138%0.379SS*.G310 helixtrans55.924.3177.9-65.2-14.4000114.3K71 P72 G76K71-N74 PolarHBondContact O-N 3.29Å; P72-N74 VanDerWaalsContact C-N 3.33Å; P72-N74 PolarHBondContact O-N 2.93Å; N74-G76 PolarHBondContact O-N 2.98Å
75T77.8Confident85.5Confident100 Ų10069.7 Ų69.761%0.61338%0.379SS*.  trans-85.924.4174.166.80000111.7P72 N73P72-T75 PolarHBondContact O-OG1 3.38Å; N73-T75 HydrophobicContact CB-CG2 4.28Å; N73-T75 PolarHBondContact O-N 2.88Å
76G82Confident85.6Confident19 Ų1967.2 Ų67.220%0.19636%0.363CS..PPolyproline II helixtrans-71145.2179.100000111.3E69 N74E69-G76 WeakPolarHBondContact O-CA 3.27Å; N74-G76 PolarHBondContact O-N 2.98Å
77R88Confident85.6Confident111 Ų11162.9 Ų62.942%0.41934%0.34SS..PPolyproline II helixtrans-67.9148168.4-69.3174.4-71.3-179.6-0.4109.7S68 E69 F79S68-R77 WeakPolarHBondContact CA-O 3.36Å; E69-R77 PolarHBondContact N-O 2.8Å; E69-R77 IonicContact OE1-NH2 3.43Å; E69-R77 PolarHBondContact OE1-NH2 3.1Å; E69-R77 VanDerWaalsContact OE1-NH2 3.11Å; E69-R77 IonicContact OE2-CZ 3.2Å; E69-R77 IonicContact OE2-NE 3.67Å; E69-R77 PolarHBondContact OE2-NE 3.1Å; E69-R77 IonicContact OE2-NH2 3.48Å; R77-F79 HydrophobicContact CB-CD2 4.44Å; R77-F79 HydrophobicContact CB-CE2 3.62Å; R77-F79 HydrophobicContact CB-CZ 3.96Å
78V92Very high85.6Confident61 Ų6161.6 Ų61.637%0.3734%0.337SS..EExtended strand (participates in β ladder)trans-99.2140.1175.5-178.90000109.1V89V78-V89 HydrophobicContact CB-CB 4.24Å; V78-V89 HydrophobicContact CG1-CB 4.2Å; V78-V89 HydrophobicContact CG1-CG2 4.06Å; V78-V89 PolarHBondContact O-N 2.77Å
79F93.9Very high85.9Confident16 Ų1659.1 Ų59.17%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-129140.1-179.2-62.5-95.2000110.3L66 K67 E69 R77 T86 F87 P182L66-F79 CarbonylContact C-O 3.48Å; L66-F79 WeakPolarHBondContact CA-O 3.38Å; K67-F79 PolarHBondContact N-O 3.15Å; K67-F79 PolarHBondContact O-N 2.95Å; E69-F79 HydrophobicContact CB-CE2 4.14Å; R77-F79 HydrophobicContact CB-CD2 4.44Å; R77-F79 HydrophobicContact CB-CE2 3.62Å; R77-F79 HydrophobicContact CB-CZ 3.96Å; F79-T86 HydrophobicContact CB-CG2 3.83Å; F79-T86 HydrophobicContact CD1-CG2 3.76Å; F79-T86 HydrophobicContact CG-CG2 4.18Å; F79-F87 CarbonylContact C-O 3.58Å; F79-F87 WeakPolarHBondContact CA-O 3.43Å; F79-P182 HydrophobicContact CB-CB 3.89Å; F79-P182 HydrophobicContact CD2-CB 3.39Å; F79-P182 HydrophobicContact CD2-CG 3.42Å; F79-P182 VanDerWaalsContact CD2-CG 3.42Å; F79-P182 HydrophobicContact CE2-CB 4.09Å; F79-P182 HydrophobicContact CE2-CG 3.55Å; F79-P182 HydrophobicContact CG-CB 3.77Å; F79-P182 HydrophobicContact CG-CG 4.1Å; F79-P182 HydrophobicContact CZ-CG 4.31Å
80A93.8Very high86.3Confident1 Ų161.8 Ų61.81%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-100.7115.9169.600000108.3I64 L66 T86 F87 V89 L132I64-A80 HydrophobicContact CG2-CB 3.81Å; L66-A80 HydrophobicContact CD2-CB 3.83Å; A80-T86 WeakPolarHBondContact O-CA 3.35Å; A80-F87 HydrophobicContact CB-CB 4.35Å; A80-F87 PolarHBondContact N-O 3.37Å; A80-F87 PolarHBondContact O-N 3.25Å; A80-V89 HydrophobicContact CB-CG2 3.96Å; A80-L132 HydrophobicContact CB-CD2 3.76Å
81C92.8Very high87.1Confident5 Ų558.9 Ų58.93%0.03432%0.32CS..EExtended strand (participates in β ladder)trans-104.5127.8179.4-550000108.9T65T65-C81 PolarHBondContact N-O 3.01Å; T65-C81 PolarHBondContact O-N 3.38Å
82I89.3Confident87.9Confident11 Ų1156.1 Ų56.16%0.05631%0.311CS..  trans-102.6-170.1163.465.4169.7000108.9W50 L51 I64 D84 K85 F87 S184W50-I82 HydrophobicContact CH2-CD1 3.73Å; W50-I82 HydrophobicContact CZ3-CD1 4.01Å; L51-I82 HydrophobicContact CD1-CG2 4.03Å; I64-I82 HydrophobicContact CG1-CG2 4.14Å; I82-D84 VanDerWaalsContact C-N 3.27Å; I82-D84 VanDerWaalsContact CD1-OD1 3.32Å; I82-D84 WeakPolarHBondContact CD1-OD1 3.39Å; I82-D84 PolarHBondContact O-N 2.86Å; I82-K85 HydrophobicContact CD1-CB 4Å; I82-K85 HydrophobicContact CD1-CD 4.37Å; I82-K85 HydrophobicContact CD1-CG 4.49Å; I82-K85 HydrophobicContact CG1-CB 3.83Å; I82-K85 WeakPolarHBondContact CG1-O 3.49Å; I82-K85 PolarHBondContact N-O 3.04Å; I82-F87 HydrophobicContact CD1-CE2 4.15Å; I82-F87 HydrophobicContact CG1-CE2 4.23Å; I82-S184 WeakPolarHBondContact O-CB 3.45Å
83S84.1Confident89Confident78 Ų7859.2 Ų59.255%0.54531%0.314SS..SBendtrans-57.3-37.8-17746.90000114.1
84D87.8Confident89.7Confident57 Ų5754 Ų5431%0.30529%0.288SS..SBendtrans-128-7.1-168.466.8-37000114.6I82 S184 L186I82-D84 VanDerWaalsContact C-N 3.27Å; I82-D84 VanDerWaalsContact CD1-OD1 3.32Å; I82-D84 WeakPolarHBondContact CD1-OD1 3.39Å; I82-D84 PolarHBondContact O-N 2.86Å; D84-S184 VanDerWaalsContact C-OG 3.26Å; D84-S184 PolarHBondContact O-OG 3.43Å; D84-L186 HydrophobicContact CB-CB 4.41Å; D84-L186 HydrophobicContact CB-CD1 4.01Å
85K90Very high90.6Very high64 Ų6452.2 Ų52.228%0.27829%0.288SS..  trans-141.3153.3-174.2-63.6171.1-168156.10112.3I82 F87 S184 E187I82-K85 HydrophobicContact CD1-CB 4Å; I82-K85 HydrophobicContact CD1-CD 4.37Å; I82-K85 HydrophobicContact CD1-CG 4.49Å; I82-K85 HydrophobicContact CG1-CB 3.83Å; I82-K85 WeakPolarHBondContact CG1-O 3.49Å; I82-K85 PolarHBondContact N-O 3.04Å; K85-F87 HydrophobicContact CB-CE2 3.99Å; K85-F87 HydrophobicContact CB-CZ 4.3Å; K85-F87 HydrophobicContact CD-CZ 4.47Å; K85-S184 PolarHBondContact N-OG 3.2Å; K85-E187 WeakPolarHBondContact CA-OE1 3.3Å
86T93Very high91.2Very high0 Ų052.7 Ų52.70%029%0.287CS..EExtended strand (participates in β ladder)trans-121.2140.1172.6-590000112F79 A80 C135 A137 C183 S184 E187F79-T86 HydrophobicContact CB-CG2 3.83Å; F79-T86 HydrophobicContact CD1-CG2 3.76Å; F79-T86 HydrophobicContact CG-CG2 4.18Å; A80-T86 WeakPolarHBondContact O-CA 3.35Å; T86-C135 PolarHBondContact O-N 3.19Å; T86-C135 VanDerWaalsContact O-N 3.12Å; T86-A137 HydrophobicContact CG2-CB 3.82Å; T86-C183 VanDerWaalsContact OG1-CA 3.3Å; T86-C183 WeakPolarHBondContact OG1-CA 3.48Å; T86-S184 PolarHBondContact OG1-N 3.15Å; T86-E187 VanDerWaalsContact CB-OE2 3.24Å; T86-E187 WeakPolarHBondContact CB-OE2 3.23Å; T86-E187 PolarHBondContact N-OE1 3.34Å; T86-E187 PolarHBondContact N-OE2 2.88Å; T86-E187 VanDerWaalsContact N-OE2 3.11Å; T86-E187 PolarHBondContact OG1-OE2 3.14Å
87F93.2Very high91.6Very high12 Ų1256.6 Ų56.65%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-120.7134.4177-56.5-97.2000109.5W50 F79 A80 I82 K85 L132 Q133 Q134W50-F87 HydrophobicContact CH2-CZ 4.12Å; W50-F87 HydrophobicContact CZ2-CZ 4.04Å; F79-F87 CarbonylContact C-O 3.58Å; F79-F87 WeakPolarHBondContact CA-O 3.43Å; A80-F87 HydrophobicContact CB-CB 4.35Å; A80-F87 PolarHBondContact N-O 3.37Å; A80-F87 PolarHBondContact O-N 3.25Å; I82-F87 HydrophobicContact CD1-CE2 4.15Å; I82-F87 HydrophobicContact CG1-CE2 4.23Å; K85-F87 HydrophobicContact CB-CE2 3.99Å; K85-F87 HydrophobicContact CB-CZ 4.3Å; K85-F87 HydrophobicContact CD-CZ 4.47Å; F87-L132 HydrophobicContact CB-CB 4.02Å; F87-L132 HydrophobicContact CB-CD2 4.26Å; F87-L132 HydrophobicContact CD1-CB 4.07Å; F87-L132 HydrophobicContact CG-CB 4.18Å; F87-Q133 CarbonylContact C-O 3.54Å; F87-Q133 VanDerWaalsContact CA-O 3.29Å; F87-Q133 WeakPolarHBondContact CA-O 3.47Å; F87-Q134 HydrophobicContact CD1-CB 3.82Å; F87-Q134 HydrophobicContact CD1-CG 4.37Å; F87-Q134 HydrophobicContact CE1-CB 3.77Å; F87-Q134 HydrophobicContact CE1-CG 4.12Å
88S92.3Very high91.7Very high22 Ų2254.1 Ų54.115%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-73.4134164.1-171.30000109.1Q133 C135S88-Q133 PolarHBondContact N-O 2.89Å; S88-Q133 PolarHBondContact O-N 3.3Å; S88-C135 PolarHBondContact N-SG 3.08Å
89V94.6Very high91.6Very high26 Ų2654.3 Ų54.316%0.15830%0.3CS..EExtended strand (participates in β ladder)trans-95116.3178.7-175.20000108.6L66 V78 A80 F130 E131 L132L66-V89 HydrophobicContact CD2-CG2 4.36Å; V78-V89 HydrophobicContact CB-CB 4.24Å; V78-V89 HydrophobicContact CG1-CB 4.2Å; V78-V89 HydrophobicContact CG1-CG2 4.06Å; V78-V89 PolarHBondContact O-N 2.77Å; A80-V89 HydrophobicContact CB-CG2 3.96Å; V89-F130 HydrophobicContact CG1-CB 3.72Å; V89-F130 HydrophobicContact CG1-CD1 3.78Å; V89-F130 HydrophobicContact CG1-CG 4Å; V89-E131 WeakPolarHBondContact CA-O 3.47Å; V89-L132 HydrophobicContact CG2-CD2 3.92Å
90I93.5Very high91.3Very high64 Ų6455.5 Ų55.533%0.32831%0.307SS..EExtended strand (participates in β ladder)trans-116.3131.9-175.2-58.1177.3000109.4A92 F130 E131 Q133I90-A92 PolarHBondContact O-N 3.49Å; I90-F130 CarbonylContact O-C 3.59Å; I90-F130 VanDerWaalsContact O-CA 3.27Å; I90-F130 WeakPolarHBondContact O-CA 3.34Å; I90-E131 PolarHBondContact N-O 2.91Å; I90-E131 PolarHBondContact O-N 3.17Å; I90-Q133 HydrophobicContact CD1-CB 4.03Å
91E94.1Very high91Very high99 Ų9956.3 Ų56.346%0.46331%0.314SS..EExtended strand (participates in β ladder)trans-80.5119.3175.4-169-174.8164.400110.7N128 F130E91-N128 HydrophobicContact CG-CB 4.21Å; E91-N128 PolarHBondContact OE1-ND2 3.48Å; E91-F130 HydrophobicContact CB-CD1 4.07Å; E91-F130 HydrophobicContact CB-CE1 3.82Å; E91-F130 HydrophobicContact CG-CD1 4.42Å; E91-F130 HydrophobicContact CG-CE1 3.96Å; E91-F130 HydrophobicContact CG-CZ 4.37Å
92A94.3Very high90.4Very high17 Ų1759.4 Ų59.414%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-104.6130.7173.100000110I90 N128 Y129 E131I90-A92 PolarHBondContact O-N 3.49Å; A92-N128 CarbonylContact O-C 3.58Å; A92-N128 WeakPolarHBondContact O-CA 3.5Å; A92-N128 WeakPolarHBondContact O-CB 3.26Å; A92-Y129 HydrophobicContact CB-CD1 4.33Å; A92-Y129 HydrophobicContact CB-CD2 4.38Å; A92-Y129 HydrophobicContact CB-CE1 3.85Å; A92-Y129 HydrophobicContact CB-CE2 3.93Å; A92-Y129 PolarHBondContact N-O 3.41Å; A92-Y129 PolarHBondContact O-N 3.11Å; A92-E131 HydrophobicContact CB-CG 4.07Å
93K93.8Very high89.9Confident167 Ų16764.2 Ų64.273%0.72636%0.361SS*.EExtended strand (participates in β ladder)trans-99138.5175.2-67.9-175.5-178.71790110.4N128K93-N128 HydrophobicContact CG-CB 4.35Å
94T91Very high89.7Confident43 Ų4365.5 Ų65.526%0.26435%0.354SS..EExtended strand (participates in β ladder)trans-110149.6175.864.40000110.6N96 N127 Y129T94-N96 PolarHBondContact O-N 3.04Å; T94-N96 PolarHBondContact OG1-O 3.44Å; T94-N96 VanDerWaalsContact OG1-O 3.07Å; T94-N127 PolarHBondContact N-O 2.98Å; T94-N127 PolarHBondContact OG1-O 2.85Å; T94-Y129 HydrophobicContact CG2-CD1 3.68Å; T94-Y129 HydrophobicContact CG2-CE1 3.34Å
95S91.5Very high89.3Confident124 Ų12464.8 Ų64.887%0.86735%0.353SS*.EExtended strand (participates in β ladder)trans-73.3-15.3168.256.80000112.7
96N91.3Very high88.6Confident110 Ų11068.3 Ų68.359%0.58837%0.374SS*.EExtended strand (participates in β ladder)trans-89.9153.6-176-65.1-13.4000110.8T94T94-N96 PolarHBondContact O-N 3.04Å; T94-N96 PolarHBondContact OG1-O 3.44Å; T94-N96 VanDerWaalsContact OG1-O 3.07Å
97T89.8Confident87.5Confident100 Ų10073.9 Ų73.961%0.61341%0.411SS*.EExtended strand (participates in β ladder)trans-97.1117.1171.3-58.10000109.1L99 V125T97-L99 HydrophobicContact CG2-CD2 4.09Å; T97-V125 HydrophobicContact CG2-CG1 3.33Å
98L90.2Very high86.4Confident60 Ų6077.3 Ų77.331%0.31444%0.436SS..EExtended strand (participates in β ladder)trans-91.3122.7177.5-57.1175.3000109L44 V125 K126L44-L98 HydrophobicContact CD1-CD1 3.66Å; L98-V125 WeakPolarHBondContact O-CA 3.31Å; L98-K126 HydrophobicContact CB-CB 4.36Å; L98-K126 WeakPolarHBondContact CB-O 3.36Å; L98-K126 PolarHBondContact N-O 3.16Å; L98-K126 PolarHBondContact O-N 3.18Å
99L89.2Confident84.8Confident64 Ų6482 Ų8234%0.33547%0.469SS..EExtended strand (participates in β ladder)trans-102.6117.1177-57.6-177.4000109.6F33 T97 I122 V125F33-L99 HydrophobicContact CE1-CD2 4.32Å; T97-L99 HydrophobicContact CG2-CD2 4.09Å; L99-I122 HydrophobicContact CB-CD1 3.97Å; L99-I122 HydrophobicContact CD1-CD1 4.44Å; L99-I122 HydrophobicContact CD2-CG2 4.43Å; L99-V125 HydrophobicContact CD2-CB 4.47Å; L99-V125 HydrophobicContact CD2-CG1 4.24Å; L99-V125 HydrophobicContact CD2-CG2 3.68Å
100L88.9Confident83.3Confident42 Ų4287.7 Ų87.722%0.2250%0.498CS..EExtended strand (participates in β ladder)trans-95.2122.6178.6-64.4167.5000109.6L44 I122 Q123 A124 K126L44-L100 HydrophobicContact CD1-CD1 4.39Å; L44-L100 HydrophobicContact CD1-CD2 4.34Å; L44-L100 HydrophobicContact CD2-CD1 3.99Å; L44-L100 HydrophobicContact CD2-CD2 3.74Å; L44-L100 HydrophobicContact CD2-CG 4.49Å; L44-L100 HydrophobicContact CG-CD1 4.27Å; L100-I122 CarbonylContact O-C 3.56Å; L100-I122 WeakPolarHBondContact O-CA 3.08Å; L100-Q123 PolarHBondContact O-N 3.24Å; L100-A124 HydrophobicContact CB-CB 4.21Å; L100-A124 HydrophobicContact CD1-CB 3.9Å; L100-A124 PolarHBondContact N-O 3.09Å; L100-A124 PolarHBondContact O-N 3.46Å; L100-K126 HydrophobicContact CD1-CG 3.88Å
101A86.1Confident81.8Confident18 Ų1893.4 Ų93.415%0.14952%0.516CS..  trans-142.1144.4170.900000109W104 P121 I122A101-W104 HydrophobicContact CB-CZ2 4.46Å; A101-P121 WeakPolarHBondContact CB-O 3.29Å; A101-I122 HydrophobicContact CB-CD1 3.99Å
102S80.7Confident80.4Confident69 Ų6990.6 Ų90.648%0.48351%0.506SS..SBendtrans-77.4-22.8-176.559.10000113.8Q123S102-Q123 PolarHBondContact OG-NE2 3.4Å
103N77.7Confident79.2Confident112 Ų11299.6 Ų99.660%0.59954%0.542SS*.  trans-123.545.6-164.7-59.3-5.8000112.1C105N103-C105 PolarHBondContact O-N 3.38Å
104W80.2Confident78.3Confident105 Ų10598.5 Ų98.540%0.39854%0.539SS..  trans-67.3122.2170.8-75.7112.6000110.2V31 A101 L106 I122V31-W104 HydrophobicContact CG2-CH2 3.85Å; V31-W104 HydrophobicContact CG2-CZ3 4.48Å; A101-W104 HydrophobicContact CB-CZ2 4.46Å; W104-L106 PolarHBondContact O-N 2.82Å; W104-I122 HydrophobicContact CZ2-CD1 4.22Å
105C79.1Confident77.9Confident43 Ų43100.3 Ų100.329%0.29155%0.548SS..  trans-80.699.1166.4-172.90000108.1I27 Q29 N103 L118I27-C105 VanDerWaalsContact CD1-SG 3.54Å; Q29-C105 HydrophobicContact CG-CB 4.41Å; Q29-C105 PolarHBondContact NE2-O 2.82Å; N103-C105 PolarHBondContact O-N 3.38Å; C105-L118 HydrophobicContact CB-CD1 3.73Å
106L76.1Confident77.5Confident137 Ų13797.5 Ų97.572%0.71752%0.523SS*.  trans-75145.9172.8-66.2172.1000109.6W104 S108W104-L106 PolarHBondContact O-N 2.82Å; L106-S108 PolarHBondContact O-N 3.27Å
107P70.6Confident77.1Confident118 Ų11894.4 Ų94.477%0.76651%0.507SS*.  trans-60.7100.6173.6-18.630.6000110.1
108S68.8Low76.9Confident84 Ų8492.7 Ų92.759%0.58749%0.494SS*.  trans-86.9157.9167.5-179.70000109.5L106 D110L106-S108 PolarHBondContact O-N 3.27Å; S108-D110 PolarHBondContact O-N 3.29Å
109S59.7Low76.6Confident120 Ų12093.9 Ų93.984%0.83950%0.504SS*.SBendtrans-57.5-27174.3-61.40000112.6R111S109-R111 PolarHBondContact O-N 3.35Å
110D63.2Low76.5Confident145 Ų14591 Ų9178%0.77549%0.489SS*.SBendtrans-84.491.9174.9-75.6-28.1000111.1S108S108-D110 PolarHBondContact O-N 3.29Å
111R62.2Low76.3Confident185 Ų18591.3 Ų91.370%0.69849%0.493SS*.  trans-69.9128.5174.2-59.8-176.6-173.3-164.90.9109.7S109 K113S109-R111 PolarHBondContact O-N 3.35Å; R111-K113 PolarHBondContact O-N 3.38Å
112P64.9Low76.4Confident40 Ų4090.4 Ų90.426%0.2649%0.486SS..  trans-62.513817224.6-30.2000109.9N26 I27 E114 L116N26-P112 PolarHBondContact ND2-O 3.49Å; I27-P112 HydrophobicContact CD1-CG 3.47Å; I27-P112 VanDerWaalsContact CD1-CG 3.47Å; I27-P112 HydrophobicContact CG1-CG 3.44Å; I27-P112 VanDerWaalsContact CG1-CG 3.44Å; P112-E114 PolarHBondContact O-N 2.84Å; P112-L116 HydrophobicContact CB-CD1 4.13Å; P112-L116 HydrophobicContact CG-CD1 4.32Å
113K68.6Low76.7Confident206 Ų20690 Ų9090%0.89648%0.477SS*.SBendtrans-70.3-20.2177.1-66.5-177.4-179.6178.10112.3R111R111-K113 PolarHBondContact O-N 3.38Å
114E75.3Confident77.2Confident143 Ų14384.7 Ų84.767%0.66845%0.448SS*.SBendtrans-103.2147-176-64.9-178.8-177.500111.8P112 L116P112-E114 PolarHBondContact O-N 2.84Å; E114-L116 PolarHBondContact O-N 2.78Å
115N83Confident77.7Confident82 Ų8281.1 Ų81.144%0.43944%0.438SS..  trans-76112.9176-76-16.7000110Y7 N26Y7-N115 HydrophobicContact CD1-CB 3.9Å; Y7-N115 HydrophobicContact CD2-CB 3.58Å; Y7-N115 HydrophobicContact CE1-CB 4.1Å; Y7-N115 WeakPolarHBondContact CE1-ND2 3.39Å; Y7-N115 HydrophobicContact CE2-CB 3.78Å; Y7-N115 HydrophobicContact CG-CB 3.65Å; N26-N115 WeakPolarHBondContact CB-OD1 3.47Å; N26-N115 WeakPolarHBondContact O-CA 3.19Å
116L81.5Confident78.3Confident65 Ų6579.8 Ų79.834%0.3443%0.427SS..EExtended strand (participates in β ladder)trans-116.6138.5-173.6-67.2171.2000111.3N26 I27 F28 P112 E114N26-L116 PolarHBondContact O-N 3.43Å; I27-L116 CarbonylContact C-O 3.57Å; I27-L116 WeakPolarHBondContact CA-O 3.22Å; F28-L116 PolarHBondContact N-O 3.1Å; P112-L116 HydrophobicContact CB-CD1 4.13Å; P112-L116 HydrophobicContact CG-CD1 4.32Å; E114-L116 PolarHBondContact O-N 2.78Å
117V84.1Confident79Confident44 Ų4477.5 Ų77.527%0.26742%0.416SS..EExtended strand (participates in β ladder)trans-114.2105.8165.3-174.30000107.8Y7 F28Y7-V117 HydrophobicContact CD2-CG2 4.49Å; F28-V117 HydrophobicContact CB-CG1 4.41Å; F28-V117 HydrophobicContact CB-CG2 4.31Å; F28-V117 HydrophobicContact CD2-CG2 4.44Å; F28-V117 CarbonylContact O-C 3.5Å; F28-V117 WeakPolarHBondContact O-CA 3.23Å
118L84.8Confident80.1Confident65 Ų6573.4 Ų73.434%0.3439%0.388SS..EExtended strand (participates in β ladder)trans-93140.4176.5-58.3177.7000109.2I27 F28 Q29 S30 C105I27-L118 HydrophobicContact CG2-CD1 3.83Å; I27-L118 HydrophobicContact CG2-CG 4.14Å; F28-L118 PolarHBondContact O-N 3.28Å; Q29-L118 CarbonylContact C-O 3.6Å; Q29-L118 WeakPolarHBondContact CA-O 3.38Å; Q29-L118 HydrophobicContact CG-CB 4.24Å; Q29-L118 HydrophobicContact CG-CD1 4.42Å; S30-L118 PolarHBondContact N-O 2.94Å; C105-L118 HydrophobicContact CB-CD1 3.73Å
119V84.5Confident81.3Confident85 Ų8572.3 Ų72.352%0.51537%0.371SS..EExtended strand (participates in β ladder)trans-104.8116.4171.9-179.10000107.9S30 K32 P121S30-V119 CarbonylContact O-C 3.55Å; S30-V119 WeakPolarHBondContact O-CA 3.43Å; K32-V119 HydrophobicContact CB-CG1 3.67Å; K32-V119 HydrophobicContact CD-CG1 3.78Å; K32-V119 HydrophobicContact CG-CG1 4.36Å; V119-P121 WeakPolarHBondContact O-CD 3.38Å
120A86.3Confident83Confident2 Ų268.2 Ų68.22%0.01734%0.338CS..EExtended strand (participates in β ladder)trans-101.3104.1177.700000109.1S30 K32 I122S30-A120 PolarHBondContact O-N 2.76Å; K32-A120 PolarHBondContact N-O 2.61Å; A120-I122 PolarHBondContact O-N 2.93Å
121P86.2Confident84.6Confident49 Ų4964.7 Ų64.732%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-70.1126.1174.228.8-32.5000109.8K32 A101 V119 Q123K32-P121 CarbonylContact O-C 3.57Å; K32-P121 WeakPolarHBondContact O-CA 3.45Å; A101-P121 WeakPolarHBondContact CB-O 3.29Å; V119-P121 WeakPolarHBondContact O-CD 3.38Å; P121-Q123 PolarHBondContact O-N 2.87Å
122I87.2Confident86.1Confident0 Ų057.3 Ų57.30%029%0.291CS..  trans-76121.7172.3-59.5-50000108.2V31 K32 F33 C35 L37 L99 L100 A101 W104 A120 A124 V125V31-I122 HydrophobicContact CG1-CD1 3.46Å; V31-I122 VanDerWaalsContact CG1-CD1 3.46Å; V31-I122 HydrophobicContact CG1-CG1 3.22Å; K32-I122 PolarHBondContact O-N 3.45Å; F33-I122 HydrophobicContact CD1-CB 4.03Å; F33-I122 HydrophobicContact CD1-CG1 4.03Å; F33-I122 HydrophobicContact CD1-CG2 4.37Å; F33-I122 HydrophobicContact CE1-CB 4.22Å; F33-I122 HydrophobicContact CE1-CG1 3.85Å; F33-I122 HydrophobicContact CE1-CG2 4.35Å; F33-I122 HydrophobicContact CZ-CG1 4.44Å; C35-I122 PolarHBondContact SG-O 3.48Å; L37-I122 HydrophobicContact CD2-CB 4.23Å; L37-I122 HydrophobicContact CD2-CG2 4Å; L99-I122 HydrophobicContact CB-CD1 3.97Å; L99-I122 HydrophobicContact CD1-CD1 4.44Å; L99-I122 HydrophobicContact CD2-CG2 4.43Å; L100-I122 CarbonylContact O-C 3.56Å; L100-I122 WeakPolarHBondContact O-CA 3.08Å; A101-I122 HydrophobicContact CB-CD1 3.99Å; W104-I122 HydrophobicContact CZ2-CD1 4.22Å; A120-I122 PolarHBondContact O-N 2.93Å; I122-A124 WeakPolarHBondContact CG2-O 3.48Å; I122-V125 HydrophobicContact CG2-CG2 3.97Å
123Q87.1Confident87.3Confident60 Ų6061.2 Ų61.228%0.2831%0.306SS..  trans-83.8-36.4178.6-66.4177.5-25.900111.8Y42 L100 S102 P121Y42-Q123 HydrophobicContact CE2-CB 4.31Å; L100-Q123 PolarHBondContact O-N 3.24Å; S102-Q123 PolarHBondContact OG-NE2 3.4Å; P121-Q123 PolarHBondContact O-N 2.87Å
124A88.6Confident88.3Confident0 Ų054.1 Ų54.10%028%0.276CS..EExtended strand (participates in β ladder)trans-155.6153.9179.200000112L37 Y42 L100 I122L37-A124 WeakPolarHBondContact O-CA 3.44Å; Y42-A124 HydrophobicContact CD2-CB 4.01Å; Y42-A124 HydrophobicContact CG-CB 4.41Å; L100-A124 HydrophobicContact CB-CB 4.21Å; L100-A124 HydrophobicContact CD1-CB 3.9Å; L100-A124 PolarHBondContact N-O 3.09Å; L100-A124 PolarHBondContact O-N 3.46Å; I122-A124 WeakPolarHBondContact CG2-O 3.48Å
125V90.2Very high89Confident31 Ų3148.5 Ų48.519%0.18825%0.252CS..EExtended strand (participates in β ladder)trans-118.6123.3173.1179.20000107.8L37 T97 L98 L99 I122L37-V125 HydrophobicContact CB-CB 4.25Å; L37-V125 HydrophobicContact CB-CG2 3.8Å; L37-V125 HydrophobicContact CD1-CG2 4.13Å; L37-V125 HydrophobicContact CD2-CG2 4.26Å; L37-V125 HydrophobicContact CG-CG2 4.28Å; L37-V125 PolarHBondContact O-N 3.46Å; T97-V125 HydrophobicContact CG2-CG1 3.33Å; L98-V125 WeakPolarHBondContact O-CA 3.31Å; L99-V125 HydrophobicContact CD2-CB 4.47Å; L99-V125 HydrophobicContact CD2-CG1 4.24Å; L99-V125 HydrophobicContact CD2-CG2 3.68Å; I122-V125 HydrophobicContact CG2-CG2 3.97Å
126K91Very high89.1Confident14 Ų1446.8 Ų46.86%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-126.3149.8-177.7-61.8-68.7164.7168.80111S39 Y42 L44 L98 L100S39-K126 WeakPolarHBondContact O-CE 3.35Å; S39-K126 PolarHBondContact O-NZ 3.44Å; Y42-K126 WeakPolarHBondContact O-CE 3.34Å; Y42-K126 PolarHBondContact O-NZ 3.24Å; L44-K126 HydrophobicContact CD1-CB 4.22Å; L44-K126 HydrophobicContact CD1-CG 4.47Å; L98-K126 HydrophobicContact CB-CB 4.36Å; L98-K126 WeakPolarHBondContact CB-O 3.36Å; L98-K126 PolarHBondContact N-O 3.16Å; L98-K126 PolarHBondContact O-N 3.18Å; L100-K126 HydrophobicContact CD1-CG 3.88Å
127N92.1Very high89.4Confident90 Ų9044.4 Ų44.448%0.48124%0.237SC..EExtended strand (participates in β ladder)trans-125.84.417263.2-5.4000111.7T94T94-N127 PolarHBondContact N-O 2.98Å; T94-N127 PolarHBondContact OG1-O 2.85Å
128N93.6Very high89.8Confident32 Ų3242.9 Ų42.917%0.17123%0.227CC..EExtended strand (participates in β ladder)trans-136.8157.7-179.659.8-9.2000110.5E91 A92 K93E91-N128 HydrophobicContact CG-CB 4.21Å; E91-N128 PolarHBondContact OE1-ND2 3.48Å; A92-N128 CarbonylContact O-C 3.58Å; A92-N128 WeakPolarHBondContact O-CA 3.5Å; A92-N128 WeakPolarHBondContact O-CB 3.26Å; K93-N128 HydrophobicContact CG-CB 4.35Å
129Y94.2Very high90Very high61 Ų6140.8 Ų40.824%0.23922%0.218CC..EExtended strand (participates in β ladder)trans-145.3167170.863.5-81.6000108.5L44 E46 A92 T94 E131L44-Y129 CarbonylContact O-C 3.56Å; L44-Y129 WeakPolarHBondContact O-CA 3.37Å; E46-Y129 HydrophobicContact CB-CD2 4.21Å; E46-Y129 HydrophobicContact CB-CE2 4.4Å; E46-Y129 WeakPolarHBondContact OE2-CE2 3.43Å; A92-Y129 HydrophobicContact CB-CD1 4.33Å; A92-Y129 HydrophobicContact CB-CD2 4.38Å; A92-Y129 HydrophobicContact CB-CE1 3.85Å; A92-Y129 HydrophobicContact CB-CE2 3.93Å; A92-Y129 PolarHBondContact N-O 3.41Å; A92-Y129 PolarHBondContact O-N 3.11Å; T94-Y129 HydrophobicContact CG2-CD1 3.68Å; T94-Y129 HydrophobicContact CG2-CE1 3.34Å; Y129-E131 HydrophobicContact CD2-CG 3.96Å; Y129-E131 HydrophobicContact CE2-CG 3.36Å; Y129-E131 VanDerWaalsContact CE2-OE1 3.24Å; Y129-E131 WeakPolarHBondContact CE2-OE1 3.4Å; Y129-E131 VanDerWaalsContact CZ-OE1 3.26Å; Y129-E131 PolarHBondContact OH-OE1 3.16Å
130F95.3Very high90.3Very high34 Ų3437.7 Ų37.715%0.14920%0.199CC..EExtended strand (participates in β ladder)trans-107127.3179.8-64.4-81.3000109.9K43 L44 I45 E46 V89 I90 E91K43-F130 HydrophobicContact CB-CD2 4.28Å; K43-F130 HydrophobicContact CB-CE2 3.99Å; K43-F130 HydrophobicContact CD-CE2 3.71Å; K43-F130 HydrophobicContact CD-CZ 4.21Å; K43-F130 HydrophobicContact CG-CE2 4.1Å; L44-F130 WeakPolarHBondContact O-CD2 3.47Å; L44-F130 PolarHBondContact O-N 3.1Å; I45-F130 CarbonylContact C-O 3.56Å; I45-F130 WeakPolarHBondContact CA-O 3.41Å; I45-F130 HydrophobicContact CG1-CB 4.17Å; E46-F130 PolarHBondContact N-O 3.42Å; V89-F130 HydrophobicContact CG1-CB 3.72Å; V89-F130 HydrophobicContact CG1-CD1 3.78Å; V89-F130 HydrophobicContact CG1-CG 4Å; I90-F130 CarbonylContact O-C 3.59Å; I90-F130 VanDerWaalsContact O-CA 3.27Å; I90-F130 WeakPolarHBondContact O-CA 3.34Å; E91-F130 HydrophobicContact CB-CD1 4.07Å; E91-F130 HydrophobicContact CB-CE1 3.82Å; E91-F130 HydrophobicContact CG-CD1 4.42Å; E91-F130 HydrophobicContact CG-CE1 3.96Å; E91-F130 HydrophobicContact CG-CZ 4.37Å
131E95Very high90.5Very high70 Ų7041.6 Ų41.633%0.32722%0.215SC..EExtended strand (participates in β ladder)trans-95.4144.5174.9-68179.4-179.500110.1V89 I90 A92 Y129V89-E131 WeakPolarHBondContact CA-O 3.47Å; I90-E131 PolarHBondContact N-O 2.91Å; I90-E131 PolarHBondContact O-N 3.17Å; A92-E131 HydrophobicContact CB-CG 4.07Å; Y129-E131 HydrophobicContact CD2-CG 3.96Å; Y129-E131 HydrophobicContact CE2-CG 3.36Å; Y129-E131 VanDerWaalsContact CE2-OE1 3.24Å; Y129-E131 WeakPolarHBondContact CE2-OE1 3.4Å; Y129-E131 VanDerWaalsContact CZ-OE1 3.26Å; Y129-E131 PolarHBondContact OH-OE1 3.16Å
132L93.6Very high90.6Very high31 Ų3142.2 Ų42.216%0.16221%0.214CC..EExtended strand (participates in β ladder)trans-99.2110.3173.8-62.7-175.1000110I45 E46 V47 L51 A80 F87 V89I45-L132 HydrophobicContact CG2-CD1 4.25Å; I45-L132 HydrophobicContact CG2-CD2 4.09Å; I45-L132 HydrophobicContact CG2-CG 4.01Å; E46-L132 WeakPolarHBondContact O-CG 3.4Å; V47-L132 HydrophobicContact CG1-CD1 4.05Å; L51-L132 HydrophobicContact CD2-CD1 3.83Å; A80-L132 HydrophobicContact CB-CD2 3.76Å; F87-L132 HydrophobicContact CB-CB 4.02Å; F87-L132 HydrophobicContact CB-CD2 4.26Å; F87-L132 HydrophobicContact CD1-CB 4.07Å; F87-L132 HydrophobicContact CG-CB 4.18Å; V89-L132 HydrophobicContact CG2-CD2 3.92Å
133Q90.9Very high90.9Very high121 Ų12142.2 Ų42.257%0.56521%0.214SC*.EExtended strand (participates in β ladder)trans-105.8115174.4-174.3174.91.100110F87 S88 I90 C135F87-Q133 CarbonylContact C-O 3.54Å; F87-Q133 VanDerWaalsContact CA-O 3.29Å; F87-Q133 WeakPolarHBondContact CA-O 3.47Å; S88-Q133 PolarHBondContact N-O 2.89Å; S88-Q133 PolarHBondContact O-N 3.3Å; I90-Q133 HydrophobicContact CD1-CB 4.03Å; Q133-C135 PolarHBondContact O-N 3.47Å
134Q90Very high91.1Very high58 Ų5842.2 Ų42.227%0.27121%0.211SC..EExtended strand (participates in β ladder)trans-58.3135.3177.1-166-179.4-12.800109.8F87 P399F87-Q134 HydrophobicContact CD1-CB 3.82Å; F87-Q134 HydrophobicContact CD1-CG 4.37Å; F87-Q134 HydrophobicContact CE1-CB 3.77Å; F87-Q134 HydrophobicContact CE1-CG 4.12Å; Q134-P399 HydrophobicContact CB-CB 4.31Å; Q134-P399 HydrophobicContact CG-CB 4.1Å; Q134-P399 VanDerWaalsContact O-CG 3.32Å; Q134-P399 WeakPolarHBondContact O-CG 3.49Å
135C89.2Confident91.2Very high25 Ų2548.3 Ų48.317%0.16924%0.243CC..  trans-138.3158.3-177.361.40000111.1T86 S88 Q133 A137T86-C135 PolarHBondContact O-N 3.19Å; T86-C135 VanDerWaalsContact O-N 3.12Å; S88-C135 PolarHBondContact N-SG 3.08Å; Q133-C135 PolarHBondContact O-N 3.47Å; C135-A137 PolarHBondContact O-N 2.85Å
136S85.8Confident91.2Very high46 Ų4648.4 Ų48.432%0.32224%0.243SC..  trans-73.6120.6168.1-56.30000109.9E396 L398S136-E396 WeakPolarHBondContact CB-O 3.48Å; S136-E396 PolarHBondContact OG-O 3.37Å; S136-L398 PolarHBondContact OG-O 2.78Å
137A88.4Confident91.3Very high15 Ų1547.8 Ų47.812%0.12424%0.24CC..  trans-139.1157.4176.500000109.9T86 C135 C183 E187T86-A137 HydrophobicContact CG2-CB 3.82Å; C135-A137 PolarHBondContact O-N 2.85Å; A137-C183 HydrophobicContact CB-CB 3.86Å; A137-E187 WeakPolarHBondContact O-CB 3.11Å
138P91.4Very high91.1Very high11 Ų1146.5 Ų46.57%0.07124%0.238CC..SBendcis-69168.8-16.133.2-35.6000111.6L140 L143 L181 C183 L188 A191P138-L140 PolarHBondContact O-N 3.03Å; P138-L140 VanDerWaalsContact O-N 3.15Å; P138-L143 HydrophobicContact CG-CD2 4.38Å; P138-L181 HydrophobicContact CB-CB 4.13Å; P138-L181 HydrophobicContact CB-CD1 4.13Å; P138-L181 HydrophobicContact CG-CD1 4.44Å; P138-C183 HydrophobicContact CB-CB 4.08Å; P138-C183 HydrophobicContact CG-CB 4.36Å; P138-L188 HydrophobicContact CG-CD1 4.06Å; P138-A191 HydrophobicContact CG-CB 3.7Å
139S89.4Confident90.7Very high22 Ų2247.9 Ų47.915%0.15425%0.25CS..  trans-60.4115.7165.41570000109.2K141 Q142 L143 D368S139-K141 PolarHBondContact O-N 3.02Å; S139-Q142 PolarHBondContact O-N 2.97Å; S139-Q142 WeakPolarHBondContact OG-CB 3.34Å; S139-Q142 VanDerWaalsContact OG-CG 3.24Å; S139-Q142 WeakPolarHBondContact OG-CG 3.25Å; S139-Q142 PolarHBondContact OG-N 3.44Å; S139-L143 WeakPolarHBondContact O-CB 3.47Å; S139-L143 PolarHBondContact O-N 3.04Å; S139-D368 WeakPolarHBondContact CB-OD2 3.36Å; S139-D368 PolarHBondContact OG-OD2 2.97Å
140L91.2Very high90.5Very high19 Ų1945 Ų4510%0.09924%0.239CC..Hα-helixtrans-62.2-35.2177.4-65.1-177000111.1P138 L143 R144 A191 R194 L195 E364 E396P138-L140 PolarHBondContact O-N 3.03Å; P138-L140 VanDerWaalsContact O-N 3.15Å; L140-L143 PolarHBondContact O-N 3.41Å; L140-R144 VanDerWaalsContact O-CB 3.25Å; L140-R144 WeakPolarHBondContact O-CB 3.48Å; L140-R144 PolarHBondContact O-N 3Å; L140-A191 HydrophobicContact CD2-CB 3.56Å; L140-R194 HydrophobicContact CD1-CG 3.75Å; L140-R194 HydrophobicContact CD2-CG 4.5Å; L140-L195 HydrophobicContact CD2-CD1 4.38Å; L140-L195 HydrophobicContact CD2-CG 4.34Å; L140-E364 HydrophobicContact CB-CB 3.8Å; L140-E364 HydrophobicContact CD1-CB 4.31Å; L140-E396 WeakPolarHBondContact CD1-OE2 3.5Å
141K89.5Confident90.3Very high85 Ų8546 Ų4637%0.3725%0.245SC..Hα-helixtrans-63.2-46.2175.8-175.5179.5176.6-179.40111.5S139 R144 L145 D368S139-K141 PolarHBondContact O-N 3.02Å; K141-R144 PolarHBondContact O-N 3.47Å; K141-L145 WeakPolarHBondContact O-CB 3.11Å; K141-L145 PolarHBondContact O-N 2.93Å; K141-D368 WeakPolarHBondContact CB-OD2 3.29Å
142Q89.2Confident90.2Very high62 Ų6242.6 Ų42.629%0.2923%0.23SC..Hα-helixtrans-65.4-42.9176.7-73.8176-9.700111.8E69 S139 L145 L146 L181E69-Q142 PolarHBondContact OE1-NE2 3.29Å; S139-Q142 PolarHBondContact O-N 2.97Å; S139-Q142 WeakPolarHBondContact OG-CB 3.34Å; S139-Q142 VanDerWaalsContact OG-CG 3.24Å; S139-Q142 WeakPolarHBondContact OG-CG 3.25Å; S139-Q142 PolarHBondContact OG-N 3.44Å; Q142-L145 PolarHBondContact O-N 2.63Å; Q142-L146 WeakPolarHBondContact O-CB 3.08Å; Q142-L146 PolarHBondContact O-N 3.01Å; Q142-L181 HydrophobicContact CB-CD2 4.28Å
143L92.7Very high90.2Very high0 Ų046.6 Ų46.60%024%0.243CC..Hα-helixtrans-61.8-45.3177175.257.2000111.4P138 S139 L140 L146 L147 V177 L181 L188 A191 F192 L195P138-L143 HydrophobicContact CG-CD2 4.38Å; S139-L143 WeakPolarHBondContact O-CB 3.47Å; S139-L143 PolarHBondContact O-N 3.04Å; L140-L143 PolarHBondContact O-N 3.41Å; L143-L146 WeakPolarHBondContact O-CB 3.37Å; L143-L146 PolarHBondContact O-N 3.34Å; L143-L147 HydrophobicContact CD1-CD1 3.68Å; L143-L147 HydrophobicContact CD1-CG 4.01Å; L143-L147 HydrophobicContact CG-CD1 4.3Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.92Å; L143-V177 HydrophobicContact CD1-CG1 3.94Å; L143-L181 HydrophobicContact CB-CD1 3.8Å; L143-L181 HydrophobicContact CD1-CD1 3.51Å; L143-L181 HydrophobicContact CG-CD1 4.13Å; L143-L188 HydrophobicContact CD2-CD1 4.41Å; L143-A191 HydrophobicContact CD2-CB 3.66Å; L143-F192 HydrophobicContact CD1-CD1 4.46Å; L143-F192 HydrophobicContact CD1-CE1 3.91Å; L143-F192 HydrophobicContact CD2-CD1 3.98Å; L143-F192 HydrophobicContact CD2-CE1 4.13Å; L143-L195 HydrophobicContact CB-CD1 4.05Å; L143-L195 HydrophobicContact CD2-CD1 3.66Å; L143-L195 HydrophobicContact CG-CD1 3.68Å
144R92.3Very high90.3Very high59 Ų5941 Ų4122%0.22322%0.218CC..Hα-helixtrans-63.5-41.4176179.6163.4173.7-166.5-18.6112.3L140 K141 L146 L147 S148 L195 M206 D365L140-R144 VanDerWaalsContact O-CB 3.25Å; L140-R144 WeakPolarHBondContact O-CB 3.48Å; L140-R144 PolarHBondContact O-N 3Å; K141-R144 PolarHBondContact O-N 3.47Å; R144-L146 VanDerWaalsContact C-N 3.34Å; R144-L147 CarbonylContact O-C 3.57Å; R144-L147 PolarHBondContact O-N 3.37Å; R144-S148 WeakPolarHBondContact O-CA 3.22Å; R144-S148 WeakPolarHBondContact O-CB 3.37Å; R144-S148 PolarHBondContact O-N 3.08Å; R144-L195 HydrophobicContact CB-CD1 4.15Å; R144-M206 HydrophobicContact CB-SD 4.46Å; R144-M206 HydrophobicContact CG-CE 3.9Å; R144-M206 HydrophobicContact CG-SD 4.13Å; R144-D365 IonicContact CZ-OD1 2.59Å; R144-D365 IonicContact CZ-OD2 2.87Å; R144-D365 IonicContact NE-OD1 3.21Å; R144-D365 IonicContact NH1-OD1 2.9Å; R144-D365 PolarHBondContact NH1-OD1 2.76Å; R144-D365 IonicContact NH1-OD2 3.99Å; R144-D365 PolarHBondContact NH1-OD2 2.92Å; R144-D365 IonicContact NH2-OD1 2.8Å; R144-D365 PolarHBondContact NH2-OD1 3.44Å; R144-D365 IonicContact NH2-OD2 3.68Å; R144-D365 PolarHBondContact NH2-OD2 2.97Å
145L89.7Confident90.3Very high128 Ų12839.8 Ų39.867%0.6722%0.215SC*.Hα-helixtrans-62.9-42.8175.5-17665.8000111.2K141 Q142 L147 S148K141-L145 WeakPolarHBondContact O-CB 3.11Å; K141-L145 PolarHBondContact O-N 2.93Å; Q142-L145 PolarHBondContact O-N 2.63Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-L147 PolarHBondContact O-N 2.93Å; L145-S148 WeakPolarHBondContact O-CB 3.42Å; L145-S148 PolarHBondContact O-N 3.35Å; L145-S148 PolarHBondContact O-OG 3Å
146L90.7Very high90.1Very high34 Ų3443.7 Ų43.718%0.17824%0.238CC..Hα-helixtrans-60.8-41.1176.6179.665.4000111.7Q142 L143 R144 F172 V177 L181Q142-L146 WeakPolarHBondContact O-CB 3.08Å; Q142-L146 PolarHBondContact O-N 3.01Å; L143-L146 WeakPolarHBondContact O-CB 3.37Å; L143-L146 PolarHBondContact O-N 3.34Å; R144-L146 VanDerWaalsContact C-N 3.34Å; L146-F172 HydrophobicContact CD1-CD2 4.07Å; L146-F172 HydrophobicContact CD1-CE1 4.2Å; L146-F172 HydrophobicContact CD1-CE2 3.59Å; L146-F172 HydrophobicContact CD1-CZ 3.66Å; L146-F172 HydrophobicContact CG-CD2 4.1Å; L146-F172 HydrophobicContact CG-CE2 4.05Å; L146-F172 VanDerWaalsContact O-CE2 3.22Å; L146-F172 WeakPolarHBondContact O-CE2 3.45Å; L146-V177 HydrophobicContact CD2-CG1 4.24Å; L146-V177 HydrophobicContact CD2-CG2 4.08Å; L146-L181 HydrophobicContact CD2-CD1 4.37Å; L146-L181 HydrophobicContact CD2-CG 4.39Å
147L92.6Very high90Very high0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-92.24.4-178.3-62.6-177.9000114.3L143 R144 L145 S149 S150 F172 V177 V197 L204 M206L143-L147 HydrophobicContact CD1-CD1 3.68Å; L143-L147 HydrophobicContact CD1-CG 4.01Å; L143-L147 HydrophobicContact CG-CD1 4.3Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.92Å; R144-L147 CarbonylContact O-C 3.57Å; R144-L147 PolarHBondContact O-N 3.37Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-L147 PolarHBondContact O-N 2.93Å; L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 3.24Å; L147-S150 CarbonylContact O-C 3.44Å; L147-S150 WeakPolarHBondContact O-CA 3.42Å; L147-S150 WeakPolarHBondContact O-CB 3.36Å; L147-S150 PolarHBondContact O-N 3.35Å; L147-F172 HydrophobicContact CD2-CB 4.4Å; L147-F172 HydrophobicContact CD2-CD2 4.16Å; L147-V177 HydrophobicContact CD2-CG2 4.31Å; L147-V197 HydrophobicContact CD1-CB 4.4Å; L147-V197 HydrophobicContact CD1-CG1 3.85Å; L147-V197 HydrophobicContact CD1-CG2 3.57Å; L147-L204 HydrophobicContact CD2-CB 4.16Å; L147-M206 HydrophobicContact CB-CG 3.91Å; L147-M206 HydrophobicContact CB-SD 3.69Å; L147-M206 HydrophobicContact CD1-CG 4.13Å
148S88.4Confident89.6Confident63 Ų6346 Ų4644%0.44125%0.245SC..THydrogen-bonded Turntrans-61.1-30.2-174.659.70000114.1R144 L145 S150R144-S148 WeakPolarHBondContact O-CA 3.22Å; R144-S148 WeakPolarHBondContact O-CB 3.37Å; R144-S148 PolarHBondContact O-N 3.08Å; L145-S148 WeakPolarHBondContact O-CB 3.42Å; L145-S148 PolarHBondContact O-N 3.35Å; L145-S148 PolarHBondContact O-OG 3Å; S148-S150 PolarHBondContact O-N 3.32Å
149S85.9Confident88.9Confident61 Ų6151.1 Ų51.143%0.42727%0.268SS..THydrogen-bonded Turntrans-79.1-6173.759.60000113.5L147 Y171L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 3.24Å; S149-Y171 WeakPolarHBondContact O-CE1 3.49Å
150S89.1Confident88Confident0 Ų053.1 Ų53.10%028%0.281CS..  trans-113.238.9-172.5-1530000112L147 S148 Y171 L204 R205 M206L147-S150 CarbonylContact O-C 3.44Å; L147-S150 WeakPolarHBondContact O-CA 3.42Å; L147-S150 WeakPolarHBondContact O-CB 3.36Å; L147-S150 PolarHBondContact O-N 3.35Å; S148-S150 PolarHBondContact O-N 3.32Å; S150-Y171 WeakPolarHBondContact OG-CD1 3.36Å; S150-L204 WeakPolarHBondContact CB-O 3.21Å; S150-L204 PolarHBondContact OG-O 2.88Å; S150-R205 CarbonylContact O-C 3.56Å; S150-R205 WeakPolarHBondContact O-CA 2.99Å; S150-R205 WeakPolarHBondContact OG-CD 3.45Å; S150-M206 PolarHBondContact O-N 2.89Å
151L91.4Very high86.9Confident55 Ų5554.4 Ų54.429%0.28829%0.288SS..EExtended strand (participates in β ladder)trans-77.1140.1174.8-68.9167.2000111Y153 R205 M206L151-Y153 HydrophobicContact CB-CE2 3.9Å; L151-Y153 WeakPolarHBondContact CD1-OH 3.12Å; L151-R205 VanDerWaalsContact O-CZ 3.22Å; L151-R205 PolarHBondContact O-NH1 3.35Å; L151-R205 PolarHBondContact O-NH2 3.34Å; L151-M206 WeakPolarHBondContact CA-O 3.49Å; L151-M206 HydrophobicContact CD2-CB 3.8Å
152Y93.5Very high85.7Confident0 Ų054.4 Ų54.40%030%0.299CS..EExtended strand (participates in β ladder)trans-118.8114.8178.5-176.8-95.5000110.8G154 P155 D158 I200 M206 L207 D208 Y211 L249 I252Y152-G154 VanDerWaalsContact CE1-CA 3.46Å; Y152-G154 VanDerWaalsContact CZ-C 3.46Å; Y152-P155 WeakPolarHBondContact OH-CA 3.05Å; Y152-P155 WeakPolarHBondContact OH-CD 3.4Å; Y152-P155 WeakPolarHBondContact OH-CG 3.34Å; Y152-P155 VanDerWaalsContact OH-N 3.15Å; Y152-D158 HydrophobicContact CD2-CB 4.19Å; Y152-D158 HydrophobicContact CE2-CB 3.66Å; Y152-I200 HydrophobicContact CD1-CD1 3.9Å; Y152-I200 HydrophobicContact CD2-CD1 3.67Å; Y152-I200 HydrophobicContact CE1-CD1 4.2Å; Y152-I200 HydrophobicContact CE2-CD1 3.99Å; Y152-I200 HydrophobicContact CG-CD1 3.61Å; Y152-M206 PolarHBondContact N-O 2.95Å; Y152-L207 HydrophobicContact CD1-CD2 3.72Å; Y152-L207 HydrophobicContact CG-CD2 4.36Å; Y152-D208 WeakPolarHBondContact O-CB 3.08Å; Y152-D208 PolarHBondContact O-N 3.3Å; Y152-Y211 AromaticContact CD1-CD1 3.95Å; Y152-Y211 HydrophobicContact CD1-CD1 3.95Å; Y152-Y211 AromaticContact CD1-CE1 3.92Å; Y152-Y211 HydrophobicContact CD1-CE1 3.92Å; Y152-Y211 AromaticContact CE1-CD1 3.96Å; Y152-Y211 HydrophobicContact CE1-CD1 3.96Å; Y152-Y211 AromaticContact CE1-CE1 3.51Å; Y152-Y211 HydrophobicContact CE1-CE1 3.51Å; Y152-Y211 HydrophobicContact CE1-CE2 4.4Å; Y152-Y211 AromaticContact CE1-CZ 3.75Å; Y152-L249 WeakPolarHBondContact OH-CD1 3.33Å; Y152-I252 HydrophobicContact CD1-CD1 4.42Å; Y152-I252 HydrophobicContact CE1-CD1 3.58Å; Y152-I252 HydrophobicContact CE2-CD1 4.15Å; Y152-I252 VanDerWaalsContact CZ-CD1 3.42Å; Y152-I252 VanDerWaalsContact OH-CD1 3.3Å; Y152-I252 WeakPolarHBondContact OH-CD1 3.17Å
153Y93Very high84.3Confident115 Ų11559.2 Ų59.245%0.45132%0.319SS..  trans-98.4-5.1-178.1-61-80.7000113.6L151 D157 D208 Y211L151-Y153 HydrophobicContact CB-CE2 3.9Å; L151-Y153 WeakPolarHBondContact CD1-OH 3.12Å; Y153-D157 WeakPolarHBondContact CB-OD2 3.48Å; Y153-D208 HydrophobicContact CD1-CB 3.62Å; Y153-D208 HydrophobicContact CE1-CB 3.97Å; Y153-D208 HydrophobicContact CG-CB 4.4Å; Y153-Y211 WeakPolarHBondContact O-CB 3.42Å; Y153-Y211 WeakPolarHBondContact O-CD2 3.43Å
154G93Very high82.7Confident4 Ų465.5 Ų65.54%0.04135%0.352CS..  trans129.3173.5179.100000113Y152 V156 D157 D158Y152-G154 VanDerWaalsContact CE1-CA 3.46Å; Y152-G154 VanDerWaalsContact CZ-C 3.46Å; G154-V156 VanDerWaalsContact C-N 3.32Å; G154-V156 PolarHBondContact O-N 2.94Å; G154-D157 PolarHBondContact O-N 3.33Å; G154-D158 WeakPolarHBondContact O-CB 3.45Å; G154-D158 PolarHBondContact O-N 3.29Å; G154-D158 VanDerWaalsContact O-N 3.08Å
155P89.5Confident81Confident31 Ų3167.2 Ų67.220%0.20136%0.362CS..Hα-helixtrans-61.3-39.1-174.6-24.133.7000113.2Y152 D158 E159 L249Y152-P155 WeakPolarHBondContact OH-CA 3.05Å; Y152-P155 WeakPolarHBondContact OH-CD 3.4Å; Y152-P155 WeakPolarHBondContact OH-CG 3.34Å; Y152-P155 VanDerWaalsContact OH-N 3.15Å; P155-D158 PolarHBondContact O-N 3.16Å; P155-E159 WeakPolarHBondContact O-CG 3.44Å; P155-E159 PolarHBondContact O-N 3.14Å; P155-L249 HydrophobicContact CG-CD1 4.36Å
156V85.6Confident78.8Confident108 Ų10865.9 Ų65.966%0.65536%0.363SS*.Hα-helixtrans-63.2-48.2-177.9-178.80000111.1G154 C160G154-V156 VanDerWaalsContact C-N 3.32Å; G154-V156 PolarHBondContact O-N 2.94Å; V156-C160 PolarHBondContact O-N 3.37Å; V156-C160 VanDerWaalsContact O-N 3.16Å
157D83.3Confident76.9Confident83 Ų8369.8 Ų69.844%0.44439%0.393SS..Hα-helixtrans-69.9-37-179.9-68.1-45.1000112.1Y153 G154 E159 C160 D161Y153-D157 WeakPolarHBondContact CB-OD2 3.48Å; G154-D157 PolarHBondContact O-N 3.33Å; D157-E159 PolarHBondContact O-N 3.38Å; D157-C160 PolarHBondContact O-N 2.66Å; D157-D161 WeakPolarHBondContact O-CB 3.38Å; D157-D161 PolarHBondContact O-N 3.37Å
158D81Confident75.1Confident27 Ų2776.9 Ų76.914%0.14443%0.431CS..Hα-helixtrans-64.8-39.5178.3-157.665.9000111.5Y152 G154 P155 D161 S162 R205Y152-D158 HydrophobicContact CD2-CB 4.19Å; Y152-D158 HydrophobicContact CE2-CB 3.66Å; G154-D158 WeakPolarHBondContact O-CB 3.45Å; G154-D158 PolarHBondContact O-N 3.29Å; G154-D158 VanDerWaalsContact O-N 3.08Å; P155-D158 PolarHBondContact O-N 3.16Å; D158-D161 PolarHBondContact O-N 3.23Å; D158-S162 WeakPolarHBondContact O-CB 3.21Å; D158-S162 PolarHBondContact O-N 2.91Å; D158-S162 PolarHBondContact O-OG 3.06Å; D158-R205 IonicContact OD1-CZ 3.75Å; D158-R205 IonicContact OD1-NE 3.71Å; D158-R205 IonicContact OD1-NH2 3.52Å; D158-R205 PolarHBondContact OD1-NH2 2.92Å
159E76Confident73.7Confident118 Ų11877 Ų7755%0.55143%0.426SS*.Hα-helixtrans-65.3-38.7172.7-75.5-172.6-171.500112.7P155 D157 S162 K163P155-E159 WeakPolarHBondContact O-CG 3.44Å; P155-E159 PolarHBondContact O-N 3.14Å; D157-E159 PolarHBondContact O-N 3.38Å; E159-S162 PolarHBondContact O-N 3.38Å; E159-K163 WeakPolarHBondContact O-CG 3.3Å; E159-K163 PolarHBondContact O-N 2.99Å
160C70.1Confident73.1Confident63 Ų6378.1 Ų78.143%0.42643%0.434SS..Hα-helixtrans-66.3-44.1175.7-79.90000111.9V156 D157 S162 K163 N164V156-C160 PolarHBondContact O-N 3.37Å; V156-C160 VanDerWaalsContact O-N 3.16Å; D157-C160 PolarHBondContact O-N 2.66Å; C160-S162 VanDerWaalsContact C-N 3.31Å; C160-S162 PolarHBondContact O-N 3.27Å; C160-K163 PolarHBondContact O-N 2.85Å; C160-N164 PolarHBondContact O-N 3.45Å; C160-N164 VanDerWaalsContact O-N 3.12Å; C160-N164 PolarHBondContact O-ND2 3.37Å
161D67.5Low73Confident46 Ų4680.1 Ų80.125%0.24644%0.442CS..Hα-helixtrans-61.7-40.9176.2-99.5-7.8000111.5D157 D158 K163 N164 K165D157-D161 WeakPolarHBondContact O-CB 3.38Å; D157-D161 PolarHBondContact O-N 3.37Å; D158-D161 PolarHBondContact O-N 3.23Å; D161-K163 VanDerWaalsContact C-N 3.27Å; D161-K163 PolarHBondContact O-N 3.44Å; D161-N164 PolarHBondContact O-N 3.06Å; D161-K165 VanDerWaalsContact O-CB 3.32Å; D161-K165 WeakPolarHBondContact O-CB 3.37Å; D161-K165 PolarHBondContact O-N 3.44Å; D161-K165 VanDerWaalsContact OD1-CE 3.24Å; D161-K165 WeakPolarHBondContact OD1-CE 3.5Å; D161-K165 IonicContact OD1-NZ 2.87Å; D161-K165 PolarHBondContact OD1-NZ 2.94Å; D161-K165 IonicContact OD2-NZ 3.94Å; D161-K165 PolarHBondContact OD2-NZ 3.32Å
162S66Low72.9Confident86 Ų8678.4 Ų78.460%0.60143%0.432SS*.Hα-helixtrans-60.9-35.1177.3-58.70000112.9D158 E159 C160D158-S162 WeakPolarHBondContact O-CB 3.21Å; D158-S162 PolarHBondContact O-N 2.91Å; D158-S162 PolarHBondContact O-OG 3.06Å; E159-S162 PolarHBondContact O-N 3.38Å; C160-S162 VanDerWaalsContact C-N 3.31Å; C160-S162 PolarHBondContact O-N 3.27Å
163K59.9Low72.8Confident163 Ų16381.4 Ų81.471%0.70945%0.448SS*.Hα-helixtrans-79.1-31.3179.2-71.1171.3-173.71650112.7E159 C160 D161E159-K163 WeakPolarHBondContact O-CG 3.3Å; E159-K163 PolarHBondContact O-N 2.99Å; C160-K163 PolarHBondContact O-N 2.85Å; D161-K163 VanDerWaalsContact C-N 3.27Å; D161-K163 PolarHBondContact O-N 3.44Å
164N59Low72.8Confident132 Ų13277.1 Ų77.171%0.70643%0.431SS*.Hα-helixtrans-93.7-26-175.4-73.2-28.8000113.9C160 D161C160-N164 PolarHBondContact O-N 3.45Å; C160-N164 VanDerWaalsContact O-N 3.12Å; C160-N164 PolarHBondContact O-ND2 3.37Å; D161-N164 PolarHBondContact O-N 3.06Å
165K55.3Low72.7Confident95 Ų9582.1 Ų82.141%0.41346%0.457SS..  trans-105.880.1-176.3-62.9176.2-175158.90110D161 S167 L169D161-K165 VanDerWaalsContact O-CB 3.32Å; D161-K165 WeakPolarHBondContact O-CB 3.37Å; D161-K165 PolarHBondContact O-N 3.44Å; D161-K165 VanDerWaalsContact OD1-CE 3.24Å; D161-K165 WeakPolarHBondContact OD1-CE 3.5Å; D161-K165 IonicContact OD1-NZ 2.87Å; D161-K165 PolarHBondContact OD1-NZ 2.94Å; D161-K165 IonicContact OD2-NZ 3.94Å; D161-K165 PolarHBondContact OD2-NZ 3.32Å; K165-S167 PolarHBondContact O-N 3.34Å; K165-S167 VanDerWaalsContact O-N 3.08Å; K165-L169 HydrophobicContact CB-CD1 4.01Å; K165-L169 HydrophobicContact CD-CD1 3.2Å; K165-L169 HydrophobicContact CD-CG 4.04Å; K165-L169 HydrophobicContact CG-CD1 4.22Å
166S43.8Very low72.8Confident100 Ų10082.7 Ų82.770%0.69946%0.46SS*.  trans-57.5111.2163.630.10000110.2N168S166-N168 PolarHBondContact O-N 3.5Å
167S52Low73.1Confident115 Ų11577.5 Ų77.580%0.80443%0.429SS*.SBendtrans69.5-2.3154.457.90000122.6K165K165-S167 PolarHBondContact O-N 3.34Å; K165-S167 VanDerWaalsContact O-N 3.08Å
168N53.6Low73.5Confident150 Ų15075 Ų7580%0.80241%0.414SS*.  trans-1176.2-170.8-81.8-7.4000118.3S166 S170S166-N168 PolarHBondContact O-N 3.5Å; N168-S170 PolarHBondContact O-N 3.16Å
169L59Low73.8Confident64 Ų6479 Ų7934%0.33544%0.44SS..  trans-83.7100.8173.7-80.7159.2000110.5K165 Y171K165-L169 HydrophobicContact CB-CD1 4.01Å; K165-L169 HydrophobicContact CD-CD1 3.2Å; K165-L169 HydrophobicContact CD-CG 4.04Å; K165-L169 HydrophobicContact CG-CD1 4.22Å; L169-Y171 HydrophobicContact CB-CD1 4.35Å; L169-Y171 HydrophobicContact CB-CE1 3.96Å; L169-Y171 HydrophobicContact CB-CE2 4.34Å; L169-Y171 HydrophobicContact CD1-CE1 4.21Å; L169-Y171 VanDerWaalsContact CD1-OH 3.32Å; L169-Y171 WeakPolarHBondContact CD1-OH 3.21Å; L169-Y171 HydrophobicContact CD2-CE1 3.88Å; L169-Y171 HydrophobicContact CG-CE1 4.24Å; L169-Y171 PolarHBondContact O-N 2.94Å
170S73.4Confident74.3Confident85 Ų8578.7 Ų78.759%0.59443%0.433SS*.  trans-76.777.7169.865.40000109.5N168N168-S170 PolarHBondContact O-N 3.16Å
171Y87.1Confident75.3Confident43 Ų4376.1 Ų76.117%0.16942%0.415CS..PPolyproline II helixtrans-66.2151.2165.6-60.3-38000109.8S149 S150 L169 Y203 R205S149-Y171 WeakPolarHBondContact O-CE1 3.49Å; S150-Y171 WeakPolarHBondContact OG-CD1 3.36Å; L169-Y171 HydrophobicContact CB-CD1 4.35Å; L169-Y171 HydrophobicContact CB-CE1 3.96Å; L169-Y171 HydrophobicContact CB-CE2 4.34Å; L169-Y171 HydrophobicContact CD1-CE1 4.21Å; L169-Y171 VanDerWaalsContact CD1-OH 3.32Å; L169-Y171 WeakPolarHBondContact CD1-OH 3.21Å; L169-Y171 HydrophobicContact CD2-CE1 3.88Å; L169-Y171 HydrophobicContact CG-CE1 4.24Å; L169-Y171 PolarHBondContact O-N 2.94Å; Y171-Y203 VanDerWaalsContact CB-CD1 3.43Å; Y171-Y203 HydrophobicContact CD2-CD2 4.28Å; Y171-Y203 HydrophobicContact CD2-CG 4.19Å; Y171-Y203 HydrophobicContact CG-CG 4.39Å; Y171-R205 PolarHBondContact OH-NH1 2.79Å
172F89.6Confident76.3Confident18 Ų1874.3 Ų74.38%0.07941%0.406CS..PPolyproline II helixtrans-96129.4-178.8-61.5-71.2000109.6L146 L147 T176 V177 R180 L204L146-F172 HydrophobicContact CD1-CD2 4.07Å; L146-F172 HydrophobicContact CD1-CE1 4.2Å; L146-F172 HydrophobicContact CD1-CE2 3.59Å; L146-F172 HydrophobicContact CD1-CZ 3.66Å; L146-F172 HydrophobicContact CG-CD2 4.1Å; L146-F172 HydrophobicContact CG-CE2 4.05Å; L146-F172 VanDerWaalsContact O-CE2 3.22Å; L146-F172 WeakPolarHBondContact O-CE2 3.45Å; L147-F172 HydrophobicContact CD2-CB 4.4Å; L147-F172 HydrophobicContact CD2-CD2 4.16Å; F172-T176 HydrophobicContact CD1-CG2 3.6Å; F172-T176 HydrophobicContact CE1-CG2 4.22Å; F172-V177 HydrophobicContact CB-CG2 3.63Å; F172-V177 HydrophobicContact CG-CG2 4.36Å; F172-R180 VanDerWaalsContact CE1-CZ 3.42Å; F172-R180 VanDerWaalsContact CZ-NH1 3.33Å; F172-L204 PolarHBondContact O-N 3.2Å
173D91.5Very high77.6Confident63 Ų6370.3 Ų70.334%0.33738%0.378SS..PPolyproline II helixtrans-74.5171.1160.961.728.3000110.1D175 T176 V177D173-D175 PolarHBondContact O-N 3.14Å; D173-D175 PolarHBondContact OD1-N 3.28Å; D173-T176 PolarHBondContact O-N 2.96Å; D173-T176 WeakPolarHBondContact OD1-CA 3.29Å; D173-T176 WeakPolarHBondContact OD1-CB 3.46Å; D173-T176 PolarHBondContact OD1-N 3.44Å; D173-T176 PolarHBondContact OD1-OG1 3.21Å; D173-V177 PolarHBondContact O-N 3.29Å
174R92Very high79.1Confident25 Ų2562.7 Ų62.79%0.09435%0.345CS..Hα-helixtrans-59.8-45.8179.6178.1178.9-63.9-89.40112.6T176 V177 E178 N189 E199 L204 F423R174-T176 VanDerWaalsContact C-N 3.29Å; R174-T176 PolarHBondContact O-N 3.02Å; R174-V177 PolarHBondContact O-N 2.93Å; R174-V177 VanDerWaalsContact O-N 3.12Å; R174-E178 HydrophobicContact CG-CG 4.29Å; R174-E178 WeakPolarHBondContact CG-OE1 3.2Å; R174-E178 PolarHBondContact O-N 2.62Å; R174-N189 PolarHBondContact NH1-OD1 2.95Å; R174-E199 IonicContact NE-OE2 2.62Å; R174-E199 IonicContact NH2-OE2 3.73Å; R174-E199 PolarHBondContact NH2-OE2 2.83Å; R174-L204 HydrophobicContact CB-CD1 4.48Å; R174-F423 VanDerWaalsContact NH2-CZ 3.28Å
175D91.4Very high80.5Confident110 Ų11062.9 Ų62.959%0.58834%0.34SS*.Hα-helixtrans-63.8-37.1-175.7-66.1-24000111.5D173 E178 T179D173-D175 PolarHBondContact O-N 3.14Å; D173-D175 PolarHBondContact OD1-N 3.28Å; D175-E178 PolarHBondContact O-N 3.13Å; D175-T179 WeakPolarHBondContact O-CB 3.37Å; D175-T179 VanDerWaalsContact O-CG2 3.29Å; D175-T179 WeakPolarHBondContact O-CG2 3.36Å; D175-T179 PolarHBondContact O-N 3.09Å; D175-T179 PolarHBondContact O-OG1 3.45Å
176T90.8Very high82.2Confident42 Ų4262.8 Ų62.826%0.25834%0.343SS..Hα-helixtrans-67.5-36.2175.8-56.30000111.8F172 D173 R174 T179 R180F172-T176 HydrophobicContact CD1-CG2 3.6Å; F172-T176 HydrophobicContact CE1-CG2 4.22Å; D173-T176 PolarHBondContact O-N 2.96Å; D173-T176 WeakPolarHBondContact OD1-CA 3.29Å; D173-T176 WeakPolarHBondContact OD1-CB 3.46Å; D173-T176 PolarHBondContact OD1-N 3.44Å; D173-T176 PolarHBondContact OD1-OG1 3.21Å; R174-T176 VanDerWaalsContact C-N 3.29Å; R174-T176 PolarHBondContact O-N 3.02Å; T176-T179 WeakPolarHBondContact CA-OG1 3.35Å; T176-T179 PolarHBondContact O-OG1 3.23Å; T176-R180 VanDerWaalsContact O-CG 3.28Å; T176-R180 WeakPolarHBondContact O-CG 3.41Å; T176-R180 PolarHBondContact O-N 3.3Å
177V92.6Very high84.5Confident0 Ų058.9 Ų58.90%031%0.314CS..Hα-helixtrans-72-43.3174.5177.30000111.1L143 L146 L147 F172 D173 R174 T179 R180 L181 L188 F192 L204L143-V177 HydrophobicContact CD1-CG1 3.94Å; L146-V177 HydrophobicContact CD2-CG1 4.24Å; L146-V177 HydrophobicContact CD2-CG2 4.08Å; L147-V177 HydrophobicContact CD2-CG2 4.31Å; F172-V177 HydrophobicContact CB-CG2 3.63Å; F172-V177 HydrophobicContact CG-CG2 4.36Å; D173-V177 PolarHBondContact O-N 3.29Å; R174-V177 PolarHBondContact O-N 2.93Å; R174-V177 VanDerWaalsContact O-N 3.12Å; V177-T179 PolarHBondContact O-N 3.14Å; V177-R180 PolarHBondContact O-N 3.15Å; V177-R180 VanDerWaalsContact O-N 3.14Å; V177-L181 HydrophobicContact CG1-CD1 3.73Å; V177-L181 HydrophobicContact CG1-CG 4.34Å; V177-L181 PolarHBondContact O-N 3.28Å; V177-L188 HydrophobicContact CG1-CD1 4.16Å; V177-L188 HydrophobicContact CG1-CD2 4.44Å; V177-F192 HydrophobicContact CG1-CE1 4.17Å; V177-F192 HydrophobicContact CG1-CZ 4.08Å; V177-L204 HydrophobicContact CB-CD1 3.95Å; V177-L204 HydrophobicContact CG1-CD1 4.49Å; V177-L204 HydrophobicContact CG2-CD1 3.57Å
178E91Very high86.5Confident31 Ų3153.5 Ų53.515%0.14528%0.276CS..Hα-helixtrans-61-31179.6-81-170.6-163.100113.6K67 R174 D175 L188K67-E178 PolarHBondContact NZ-O 2.9Å; K67-E178 VanDerWaalsContact NZ-O 3.08Å; R174-E178 HydrophobicContact CG-CG 4.29Å; R174-E178 WeakPolarHBondContact CG-OE1 3.2Å; R174-E178 PolarHBondContact O-N 2.62Å; D175-E178 PolarHBondContact O-N 3.13Å; E178-L188 HydrophobicContact CB-CD2 4.38Å; E178-L188 HydrophobicContact CG-CD2 3.35Å
179T87.3Confident88.3Confident110 Ų11049.2 Ų49.268%0.67525%0.253SS*.Hα-helixtrans-80.8-29.9176.749.20000112.9D175 T176 V177D175-T179 WeakPolarHBondContact O-CB 3.37Å; D175-T179 VanDerWaalsContact O-CG2 3.29Å; D175-T179 WeakPolarHBondContact O-CG2 3.36Å; D175-T179 PolarHBondContact O-N 3.09Å; D175-T179 PolarHBondContact O-OG1 3.45Å; T176-T179 WeakPolarHBondContact CA-OG1 3.35Å; T176-T179 PolarHBondContact O-OG1 3.23Å; V177-T179 PolarHBondContact O-N 3.14Å
180R87.1Confident89.8Confident112 Ų11251 Ų5142%0.42326%0.26SS..Hα-helixtrans-85.3-31-179.8-73.2-179-176.2-160.93114F172 T176 V177F172-R180 VanDerWaalsContact CE1-CZ 3.42Å; F172-R180 VanDerWaalsContact CZ-NH1 3.33Å; T176-R180 VanDerWaalsContact O-CG 3.28Å; T176-R180 WeakPolarHBondContact O-CG 3.41Å; T176-R180 PolarHBondContact O-N 3.3Å; V177-R180 PolarHBondContact O-N 3.15Å; V177-R180 VanDerWaalsContact O-N 3.14Å
181L90.4Very high90.7Very high9 Ų947.2 Ų47.25%0.04723%0.233CC..SBendtrans-104.8118.5-176.5-66.2179.4000111.3P138 Q142 L143 L146 V177 C183 L188P138-L181 HydrophobicContact CB-CB 4.13Å; P138-L181 HydrophobicContact CB-CD1 4.13Å; P138-L181 HydrophobicContact CG-CD1 4.44Å; Q142-L181 HydrophobicContact CB-CD2 4.28Å; L143-L181 HydrophobicContact CB-CD1 3.8Å; L143-L181 HydrophobicContact CD1-CD1 3.51Å; L143-L181 HydrophobicContact CG-CD1 4.13Å; L146-L181 HydrophobicContact CD2-CD1 4.37Å; L146-L181 HydrophobicContact CD2-CG 4.39Å; V177-L181 HydrophobicContact CG1-CD1 3.73Å; V177-L181 HydrophobicContact CG1-CG 4.34Å; V177-L181 PolarHBondContact O-N 3.28Å; L181-C183 PolarHBondContact O-N 3.07Å; L181-L188 HydrophobicContact CD1-CD1 4.36Å
182P89.8Confident91Very high8 Ų845.2 Ų45.25%0.05223%0.226CC..  trans-76.488.3-178.731.5-34.5000110.6K67 E69 F79K67-P182 HydrophobicContact CB-CB 3.79Å; E69-P182 HydrophobicContact CB-CG 4.31Å; F79-P182 HydrophobicContact CB-CB 3.89Å; F79-P182 HydrophobicContact CD2-CB 3.39Å; F79-P182 HydrophobicContact CD2-CG 3.42Å; F79-P182 VanDerWaalsContact CD2-CG 3.42Å; F79-P182 HydrophobicContact CE2-CB 4.09Å; F79-P182 HydrophobicContact CE2-CG 3.55Å; F79-P182 HydrophobicContact CG-CB 3.77Å; F79-P182 HydrophobicContact CG-CG 4.1Å; F79-P182 HydrophobicContact CZ-CG 4.31Å
183C92.7Very high91Very high1 Ų148.3 Ų48.31%0.00724%0.237CC..SBendtrans-151.4165.1175.357.90000112.3K67 T86 A137 P138 L181 E187K67-C183 PolarHBondContact NZ-O 3.01Å; T86-C183 VanDerWaalsContact OG1-CA 3.3Å; T86-C183 WeakPolarHBondContact OG1-CA 3.48Å; A137-C183 HydrophobicContact CB-CB 3.86Å; P138-C183 HydrophobicContact CB-CB 4.08Å; P138-C183 HydrophobicContact CG-CB 4.36Å; L181-C183 PolarHBondContact O-N 3.07Å; C183-E187 HydrophobicContact CB-CB 4.45Å
184S91.1Very high90.9Very high3 Ų348.1 Ų48.12%0.02123%0.231CC..  trans-71.3159.2168.972.60000111.1I82 D84 K85 T86 L186 E187 L188I82-S184 WeakPolarHBondContact O-CB 3.45Å; D84-S184 VanDerWaalsContact C-OG 3.26Å; D84-S184 PolarHBondContact O-OG 3.43Å; K85-S184 PolarHBondContact N-OG 3.2Å; T86-S184 PolarHBondContact OG1-N 3.15Å; S184-L186 VanDerWaalsContact C-N 3.31Å; S184-L186 PolarHBondContact O-N 3.47Å; S184-E187 WeakPolarHBondContact CB-OE2 3.34Å; S184-E187 PolarHBondContact N-OE2 3.22Å; S184-E187 PolarHBondContact O-N 3.38Å; S184-E187 VanDerWaalsContact OG-CB 3.31Å; S184-E187 WeakPolarHBondContact OG-CB 3.48Å; S184-E187 VanDerWaalsContact OG-CD 3.23Å; S184-E187 VanDerWaalsContact OG-CG 3.25Å; S184-E187 WeakPolarHBondContact OG-CG 3.4Å; S184-E187 PolarHBondContact OG-N 3.47Å; S184-E187 PolarHBondContact OG-OE2 3.06Å; S184-L188 PolarHBondContact O-N 3.33Å
185K89.8Confident91Very high136 Ų13647.2 Ų47.259%0.59123%0.229SC*.Hα-helixtrans-63.1-38.9179.9-68.2-175.9174.7-173.30112L188 N189K185-L188 PolarHBondContact O-N 2.99Å; K185-N189 VanDerWaalsContact O-CG 3.32Å; K185-N189 PolarHBondContact O-N 2.82Å; K185-N189 PolarHBondContact O-ND2 2.91Å
186L89.9Confident91.1Very high93 Ų9342.8 Ų42.849%0.48720%0.204SC..Hα-helixtrans-66.3-47.1179.4-166.7154.3000111D84 S184 L188 N189 E190D84-L186 HydrophobicContact CB-CB 4.41Å; D84-L186 HydrophobicContact CB-CD1 4.01Å; S184-L186 VanDerWaalsContact C-N 3.31Å; S184-L186 PolarHBondContact O-N 3.47Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 2.91Å; L186-N189 PolarHBondContact O-N 3.18Å; L186-E190 PolarHBondContact O-N 3.41Å
187E92.4Very high91.2Very high19 Ų1940.9 Ų40.99%0.08919%0.193CC..Hα-helixtrans-62.4-38.3177.1-76.5166149.500112.3K85 T86 A137 C183 S184 E190 A191K85-E187 WeakPolarHBondContact CA-OE1 3.3Å; T86-E187 VanDerWaalsContact CB-OE2 3.24Å; T86-E187 WeakPolarHBondContact CB-OE2 3.23Å; T86-E187 PolarHBondContact N-OE1 3.34Å; T86-E187 PolarHBondContact N-OE2 2.88Å; T86-E187 VanDerWaalsContact N-OE2 3.11Å; T86-E187 PolarHBondContact OG1-OE2 3.14Å; A137-E187 WeakPolarHBondContact O-CB 3.11Å; C183-E187 HydrophobicContact CB-CB 4.45Å; S184-E187 WeakPolarHBondContact CB-OE2 3.34Å; S184-E187 PolarHBondContact N-OE2 3.22Å; S184-E187 PolarHBondContact O-N 3.38Å; S184-E187 VanDerWaalsContact OG-CB 3.31Å; S184-E187 WeakPolarHBondContact OG-CB 3.48Å; S184-E187 VanDerWaalsContact OG-CD 3.23Å; S184-E187 VanDerWaalsContact OG-CG 3.25Å; S184-E187 WeakPolarHBondContact OG-CG 3.4Å; S184-E187 PolarHBondContact OG-N 3.47Å; S184-E187 PolarHBondContact OG-OE2 3.06Å; E187-E190 WeakPolarHBondContact O-CB 3.44Å; E187-E190 PolarHBondContact O-N 3.44Å; E187-A191 PolarHBondContact O-N 3.42Å
188L93.3Very high91.2Very high2 Ų241 Ų411%0.0119%0.193CC..Hα-helixtrans-63.1-43.1174.7-174.559.5000111.9P138 L143 V177 E178 L181 S184 K185 L186 E190 A191 F192P138-L188 HydrophobicContact CG-CD1 4.06Å; L143-L188 HydrophobicContact CD2-CD1 4.41Å; V177-L188 HydrophobicContact CG1-CD1 4.16Å; V177-L188 HydrophobicContact CG1-CD2 4.44Å; E178-L188 HydrophobicContact CB-CD2 4.38Å; E178-L188 HydrophobicContact CG-CD2 3.35Å; L181-L188 HydrophobicContact CD1-CD1 4.36Å; S184-L188 PolarHBondContact O-N 3.33Å; K185-L188 PolarHBondContact O-N 2.99Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 2.91Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 3.25Å; L188-A191 WeakPolarHBondContact O-CB 3.33Å; L188-A191 PolarHBondContact O-N 3.5Å; L188-F192 HydrophobicContact CD1-CD1 4.3Å; L188-F192 HydrophobicContact CD1-CE1 3.68Å; L188-F192 HydrophobicContact CD1-CE2 4.34Å; L188-F192 HydrophobicContact CD1-CZ 3.7Å; L188-F192 HydrophobicContact CD2-CE2 4.02Å; L188-F192 HydrophobicContact CD2-CZ 3.77Å; L188-F192 HydrophobicContact CG-CD2 4.33Å; L188-F192 HydrophobicContact CG-CE1 4.02Å; L188-F192 HydrophobicContact CG-CE2 3.75Å; L188-F192 HydrophobicContact CG-CZ 3.57Å; L188-F192 WeakPolarHBondContact O-CG 3.31Å; L188-F192 PolarHBondContact O-N 3.32Å
189N92Very high91.3Very high60 Ų6042 Ų4232%0.32120%0.198SC..Hα-helixtrans-64.8-35.3176.6-72.2-27.2000112R174 K185 L186 F192 R193R174-N189 PolarHBondContact NH1-OD1 2.95Å; K185-N189 VanDerWaalsContact O-CG 3.32Å; K185-N189 PolarHBondContact O-N 2.82Å; K185-N189 PolarHBondContact O-ND2 2.91Å; L186-N189 PolarHBondContact O-N 3.18Å; N189-F192 PolarHBondContact O-N 2.9Å; N189-R193 PolarHBondContact O-N 3.47Å
190E90.2Very high91.4Very high102 Ų10237 Ų3748%0.47717%0.167SC..Hα-helixtrans-63-45171.3-17162.2-125.800111.6L186 E187 L188 F192 R193 R194L186-E190 PolarHBondContact O-N 3.41Å; E187-E190 WeakPolarHBondContact O-CB 3.44Å; E187-E190 PolarHBondContact O-N 3.44Å; L188-E190 VanDerWaalsContact C-N 3.3Å; L188-E190 PolarHBondContact O-N 3.25Å; E190-F192 VanDerWaalsContact C-N 3.35Å; E190-F192 PolarHBondContact O-N 3.45Å; E190-R193 WeakPolarHBondContact O-CB 3.25Å; E190-R193 PolarHBondContact O-N 3.03Å; E190-R193 IonicContact OE1-NH1 3.93Å; E190-R193 PolarHBondContact OE1-NH1 2.91Å; E190-R193 IonicContact OE2-CZ 2.76Å; E190-R193 IonicContact OE2-NH1 3.42Å; E190-R193 PolarHBondContact OE2-NH1 3.2Å; E190-R193 IonicContact OE2-NH2 3.44Å; E190-R194 WeakPolarHBondContact O-CB 3.26Å; E190-R194 PolarHBondContact O-N 2.98Å
191A92.4Very high91.4Very high4 Ų437.2 Ų37.23%0.03318%0.177CC..Hα-helixtrans-62.6-40.4176.900000112.3P138 L140 L143 E187 L188 R194 L195P138-A191 HydrophobicContact CG-CB 3.7Å; L140-A191 HydrophobicContact CD2-CB 3.56Å; L143-A191 HydrophobicContact CD2-CB 3.66Å; E187-A191 PolarHBondContact O-N 3.42Å; L188-A191 WeakPolarHBondContact O-CB 3.33Å; L188-A191 PolarHBondContact O-N 3.5Å; A191-R194 PolarHBondContact O-N 2.82Å; A191-L195 WeakPolarHBondContact O-CB 3.39Å; A191-L195 PolarHBondContact O-N 3.32Å
192F93.7Very high91.2Very high1 Ų138.6 Ų38.60%0.00419%0.193CC..Hα-helixtrans-59.3-46.3172.2-70.2-20.5000111.7L143 V177 L188 N189 E190 R194 L195 H196 V197 L204L143-F192 HydrophobicContact CD1-CD1 4.46Å; L143-F192 HydrophobicContact CD1-CE1 3.91Å; L143-F192 HydrophobicContact CD2-CD1 3.98Å; L143-F192 HydrophobicContact CD2-CE1 4.13Å; V177-F192 HydrophobicContact CG1-CE1 4.17Å; V177-F192 HydrophobicContact CG1-CZ 4.08Å; L188-F192 HydrophobicContact CD1-CD1 4.3Å; L188-F192 HydrophobicContact CD1-CE1 3.68Å; L188-F192 HydrophobicContact CD1-CE2 4.34Å; L188-F192 HydrophobicContact CD1-CZ 3.7Å; L188-F192 HydrophobicContact CD2-CE2 4.02Å; L188-F192 HydrophobicContact CD2-CZ 3.77Å; L188-F192 HydrophobicContact CG-CD2 4.33Å; L188-F192 HydrophobicContact CG-CE1 4.02Å; L188-F192 HydrophobicContact CG-CE2 3.75Å; L188-F192 HydrophobicContact CG-CZ 3.57Å; L188-F192 WeakPolarHBondContact O-CG 3.31Å; L188-F192 PolarHBondContact O-N 3.32Å; N189-F192 PolarHBondContact O-N 2.9Å; E190-F192 VanDerWaalsContact C-N 3.35Å; E190-F192 PolarHBondContact O-N 3.45Å; F192-R194 VanDerWaalsContact C-N 3.33Å; F192-R194 PolarHBondContact O-N 3.06Å; F192-L195 CarbonylContact O-C 3.55Å; F192-L195 PolarHBondContact O-N 3.38Å; F192-H196 PolarHBondContact O-N 2.98Å; F192-V197 HydrophobicContact CB-CB 3.9Å; F192-V197 HydrophobicContact CB-CG1 4.48Å; F192-V197 HydrophobicContact CD1-CB 3.83Å; F192-V197 HydrophobicContact CD1-CG1 3.81Å; F192-V197 HydrophobicContact CD1-CG2 4.05Å; F192-V197 HydrophobicContact CE1-CG1 4.25Å; F192-V197 HydrophobicContact CG-CB 4.07Å; F192-V197 HydrophobicContact CG-CG1 4.16Å; F192-V197 PolarHBondContact O-N 3.44Å; F192-L204 HydrophobicContact CE1-CD1 3.96Å; F192-L204 HydrophobicContact CE2-CD1 4.08Å; F192-L204 HydrophobicContact CE2-CD2 4.23Å; F192-L204 HydrophobicContact CZ-CD1 3.42Å; F192-L204 VanDerWaalsContact CZ-CD1 3.42Å; F192-L204 HydrophobicContact CZ-CD2 4.3Å; F192-L204 HydrophobicContact CZ-CG 4.5Å
193R90.4Very high91.3Very high84 Ų8443.4 Ų43.432%0.31721%0.211SC..Hα-helixtrans-61.5-42.9177-160.3-174.8-55.794.30.6112N189 E190 L195 H196 L259N189-R193 PolarHBondContact O-N 3.47Å; E190-R193 WeakPolarHBondContact O-CB 3.25Å; E190-R193 PolarHBondContact O-N 3.03Å; E190-R193 IonicContact OE1-NH1 3.93Å; E190-R193 PolarHBondContact OE1-NH1 2.91Å; E190-R193 IonicContact OE2-CZ 2.76Å; E190-R193 IonicContact OE2-NH1 3.42Å; E190-R193 PolarHBondContact OE2-NH1 3.2Å; E190-R193 IonicContact OE2-NH2 3.44Å; R193-L195 VanDerWaalsContact C-N 3.33Å; R193-L195 PolarHBondContact O-N 3.26Å; R193-H196 PolarHBondContact O-CD2 3Å; R193-H196 PolarHBondContact O-N 3.25Å; R193-L259 HydrophobicContact CB-CD2 4.44Å; R193-L259 HydrophobicContact CG-CD2 3.53Å
194R89.1Confident91.4Very high59 Ų5943.3 Ų43.322%0.22321%0.21CC..Hα-helixtrans-63.2-37.5-179.418059176.4160.5-1.6112.8L140 E190 A191 F192 A327 R329 S363L140-R194 HydrophobicContact CD1-CG 3.75Å; L140-R194 HydrophobicContact CD2-CG 4.5Å; E190-R194 WeakPolarHBondContact O-CB 3.26Å; E190-R194 PolarHBondContact O-N 2.98Å; A191-R194 PolarHBondContact O-N 2.82Å; F192-R194 VanDerWaalsContact C-N 3.33Å; F192-R194 PolarHBondContact O-N 3.06Å; R194-A327 PolarHBondContact NH2-O 3.31Å; R194-R329 VanDerWaalsContact CZ-CZ 3.44Å; R194-R329 PolarHBondContact O-NH2 2.69Å; R194-S363 PolarHBondContact NH2-OG 3.44Å
195L92.9Very high91.5Very high6 Ų643.5 Ų43.53%0.03121%0.211CC..THydrogen-bonded Turntrans-93.95.8178.9-64.4-179.7000113.7L140 L143 R144 A191 F192 R193 V197 M206 E364L140-L195 HydrophobicContact CD2-CD1 4.38Å; L140-L195 HydrophobicContact CD2-CG 4.34Å; L143-L195 HydrophobicContact CB-CD1 4.05Å; L143-L195 HydrophobicContact CD2-CD1 3.66Å; L143-L195 HydrophobicContact CG-CD1 3.68Å; R144-L195 HydrophobicContact CB-CD1 4.15Å; A191-L195 WeakPolarHBondContact O-CB 3.39Å; A191-L195 PolarHBondContact O-N 3.32Å; F192-L195 CarbonylContact O-C 3.55Å; F192-L195 PolarHBondContact O-N 3.38Å; R193-L195 VanDerWaalsContact C-N 3.33Å; R193-L195 PolarHBondContact O-N 3.26Å; L195-V197 VanDerWaalsContact C-N 3.27Å; L195-V197 HydrophobicContact CB-CG2 3.9Å; L195-V197 PolarHBondContact O-N 2.88Å; L195-M206 HydrophobicContact CB-CE 4.45Å; L195-E364 HydrophobicContact CD2-CB 3.9Å; L195-E364 HydrophobicContact CD2-CG 3.65Å
196H93.6Very high91.7Very high17 Ų1737.8 Ų37.88%0.07919%0.186CC..THydrogen-bonded Turntrans52.543.9-176.4-45.4129.3000112.9F192 R193 L207 H209 M212 L259F192-H196 PolarHBondContact O-N 2.98Å; R193-H196 PolarHBondContact O-CD2 3Å; R193-H196 PolarHBondContact O-N 3.25Å; H196-L207 HydrophobicContact CB-CB 4.38Å; H196-L207 WeakPolarHBondContact O-CB 3.35Å; H196-L207 WeakPolarHBondContact O-CG 3.24Å; H196-L207 PolarHBondContact O-N 3.44Å; H196-H209 AromaticContact CE1-NE2 3.91Å; H196-H209 AromaticContact ND1-NE2 3.82Å; H196-M212 HydrophobicContact CB-CE 4.03Å; H196-M212 HydrophobicContact CB-SD 3.75Å; H196-M212 WeakPolarHBondContact ND1-CE 2.98Å; H196-L259 HydrophobicContact CB-CD1 4.24Å
197V94.5Very high91.9Very high2 Ų233.5 Ų33.51%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-83.6129.1175.6179.40000109.4L147 F192 L195 L204 R205 M206L147-V197 HydrophobicContact CD1-CB 4.4Å; L147-V197 HydrophobicContact CD1-CG1 3.85Å; L147-V197 HydrophobicContact CD1-CG2 3.57Å; F192-V197 HydrophobicContact CB-CB 3.9Å; F192-V197 HydrophobicContact CB-CG1 4.48Å; F192-V197 HydrophobicContact CD1-CB 3.83Å; F192-V197 HydrophobicContact CD1-CG1 3.81Å; F192-V197 HydrophobicContact CD1-CG2 4.05Å; F192-V197 HydrophobicContact CE1-CG1 4.25Å; F192-V197 HydrophobicContact CG-CB 4.07Å; F192-V197 HydrophobicContact CG-CG1 4.16Å; F192-V197 PolarHBondContact O-N 3.44Å; L195-V197 VanDerWaalsContact C-N 3.27Å; L195-V197 HydrophobicContact CB-CG2 3.9Å; L195-V197 PolarHBondContact O-N 2.88Å; V197-L204 HydrophobicContact CG1-CB 3.98Å; V197-L204 HydrophobicContact CG1-CD2 4.09Å; V197-R205 CarbonylContact C-O 3.57Å; V197-R205 WeakPolarHBondContact CA-O 3.36Å; V197-M206 HydrophobicContact CG2-CG 3.62Å
198C92.5Very high92Very high2 Ų234.4 Ų34.41%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-123.8156.7177.2-74.10000111.1L204 R205 L207 Q255C198-L204 WeakPolarHBondContact O-CA 3.41Å; C198-R205 PolarHBondContact N-O 3.07Å; C198-R205 PolarHBondContact O-N 2.82Å; C198-L207 HydrophobicContact CB-CD1 4.33Å; C198-L207 HydrophobicContact CB-CD2 4.37Å; C198-L207 HydrophobicContact CB-CG 4.26Å; C198-L207 VanDerWaalsContact SG-CD1 3.5Å; C198-Q255 HydrophobicContact CB-CB 4.49Å; C198-Q255 PolarHBondContact SG-OE1 3.22Å; C198-Q255 VanDerWaalsContact SG-OE1 3.38Å
199E91.7Very high91.9Very high51 Ų5135.2 Ų35.224%0.23817%0.173CC..EExtended strand (participates in β ladder)trans-95.1118.5173-170.1174.8157.100110R174 Y203 L204 N251 Q255 F423R174-E199 IonicContact NE-OE2 2.62Å; R174-E199 IonicContact NH2-OE2 3.73Å; R174-E199 PolarHBondContact NH2-OE2 2.83Å; E199-Y203 CarbonylContact C-O 2.91Å; E199-Y203 WeakPolarHBondContact CA-O 3.29Å; E199-L204 HydrophobicContact CB-CD2 4.36Å; E199-N251 PolarHBondContact O-ND2 3.38Å; E199-Q255 PolarHBondContact O-NE2 3.39Å; E199-F423 HydrophobicContact CB-CD2 4.43Å; E199-F423 HydrophobicContact CB-CE2 3.57Å; E199-F423 HydrophobicContact CB-CZ 4.25Å
200I90.4Very high92Very high6 Ų636.3 Ų36.33%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-127.8119.4-177.6-50.9178.1000107.3Y152 G202 Y203 R205 L207 I252Y152-I200 HydrophobicContact CD1-CD1 3.9Å; Y152-I200 HydrophobicContact CD2-CD1 3.67Å; Y152-I200 HydrophobicContact CE1-CD1 4.2Å; Y152-I200 HydrophobicContact CE2-CD1 3.99Å; Y152-I200 HydrophobicContact CG-CD1 3.61Å; I200-G202 PolarHBondContact O-N 3.36Å; I200-Y203 PolarHBondContact N-O 2.87Å; I200-Y203 PolarHBondContact O-N 3.37Å; I200-R205 HydrophobicContact CB-CG 3.97Å; I200-R205 HydrophobicContact CD1-CB 3.71Å; I200-R205 HydrophobicContact CD1-CG 3.93Å; I200-R205 HydrophobicContact CG1-CB 4.12Å; I200-R205 HydrophobicContact CG1-CG 4.11Å; I200-L207 HydrophobicContact CD1-CD2 4.33Å; I200-I252 HydrophobicContact CD1-CD1 3.53Å; I200-I252 HydrophobicContact CD1-CG1 4.02Å; I200-I252 HydrophobicContact CG1-CD1 3.94Å; I200-I252 HydrophobicContact CG1-CG1 3.98Å; I200-I252 HydrophobicContact CG2-CD1 4.02Å
201N86Confident92.3Very high117 Ų11731.9 Ų31.963%0.62616%0.155SC*.THydrogen-bonded Turntrans53.336.3-179.7-56.5-29.5000113.6Y203N201-Y203 VanDerWaalsContact C-N 3.32Å; N201-Y203 VanDerWaalsContact O-CD2 3.28Å; N201-Y203 WeakPolarHBondContact O-CD2 3.12Å
202G87.8Confident92.5Very high38 Ų3831.8 Ų31.839%0.39215%0.154SC..THydrogen-bonded Turntrans82.60.7-178.700000115.2I200I200-G202 PolarHBondContact O-N 3.36Å
203Y91.6Very high92.6Very high108 Ų10832.1 Ų32.142%0.42416%0.156SC..EExtended strand (participates in β ladder)trans-114.6146.1-179.2-60.6-72.2000112.2Y171 E199 I200 N201Y171-Y203 VanDerWaalsContact CB-CD1 3.43Å; Y171-Y203 HydrophobicContact CD2-CD2 4.28Å; Y171-Y203 HydrophobicContact CD2-CG 4.19Å; Y171-Y203 HydrophobicContact CG-CG 4.39Å; E199-Y203 CarbonylContact C-O 2.91Å; E199-Y203 WeakPolarHBondContact CA-O 3.29Å; I200-Y203 PolarHBondContact N-O 2.87Å; I200-Y203 PolarHBondContact O-N 3.37Å; N201-Y203 VanDerWaalsContact C-N 3.32Å; N201-Y203 VanDerWaalsContact O-CD2 3.28Å; N201-Y203 WeakPolarHBondContact O-CD2 3.12Å
204L93.9Very high92.9Very high0 Ų030.9 Ų30.90%015%0.154CC..EExtended strand (participates in β ladder)trans-80.6121.6174.6-64.3175.7000110.4L147 S150 F172 R174 V177 F192 V197 C198 E199L147-L204 HydrophobicContact CD2-CB 4.16Å; S150-L204 WeakPolarHBondContact CB-O 3.21Å; S150-L204 PolarHBondContact OG-O 2.88Å; F172-L204 PolarHBondContact O-N 3.2Å; R174-L204 HydrophobicContact CB-CD1 4.48Å; V177-L204 HydrophobicContact CB-CD1 3.95Å; V177-L204 HydrophobicContact CG1-CD1 4.49Å; V177-L204 HydrophobicContact CG2-CD1 3.57Å; F192-L204 HydrophobicContact CE1-CD1 3.96Å; F192-L204 HydrophobicContact CE2-CD1 4.08Å; F192-L204 HydrophobicContact CE2-CD2 4.23Å; F192-L204 HydrophobicContact CZ-CD1 3.42Å; F192-L204 VanDerWaalsContact CZ-CD1 3.42Å; F192-L204 HydrophobicContact CZ-CD2 4.3Å; F192-L204 HydrophobicContact CZ-CG 4.5Å; V197-L204 HydrophobicContact CG1-CB 3.98Å; V197-L204 HydrophobicContact CG1-CD2 4.09Å; C198-L204 WeakPolarHBondContact O-CA 3.41Å; E199-L204 HydrophobicContact CB-CD2 4.36Å
205R93.2Very high93.3Very high7 Ų728.1 Ų28.13%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-126.9130.6-175.4-62.1-79.1-87.5162.44.3109.6S150 L151 D158 Y171 V197 C198 I200S150-R205 CarbonylContact O-C 3.56Å; S150-R205 WeakPolarHBondContact O-CA 2.99Å; S150-R205 WeakPolarHBondContact OG-CD 3.45Å; L151-R205 VanDerWaalsContact O-CZ 3.22Å; L151-R205 PolarHBondContact O-NH1 3.35Å; L151-R205 PolarHBondContact O-NH2 3.34Å; D158-R205 IonicContact OD1-CZ 3.75Å; D158-R205 IonicContact OD1-NE 3.71Å; D158-R205 IonicContact OD1-NH2 3.52Å; D158-R205 PolarHBondContact OD1-NH2 2.92Å; Y171-R205 PolarHBondContact OH-NH1 2.79Å; V197-R205 CarbonylContact C-O 3.57Å; V197-R205 WeakPolarHBondContact CA-O 3.36Å; C198-R205 PolarHBondContact N-O 3.07Å; C198-R205 PolarHBondContact O-N 2.82Å; I200-R205 HydrophobicContact CB-CG 3.97Å; I200-R205 HydrophobicContact CD1-CB 3.71Å; I200-R205 HydrophobicContact CD1-CG 3.93Å; I200-R205 HydrophobicContact CG1-CB 4.12Å; I200-R205 HydrophobicContact CG1-CG 4.11Å
206M94.3Very high93.5Very high15 Ų1527.9 Ų27.97%0.07414%0.143CC..EExtended strand (participates in β ladder)trans-82.7122.1172.8-79.9-177.962.400109.4R144 L147 S150 L151 Y152 L195 V197R144-M206 HydrophobicContact CB-SD 4.46Å; R144-M206 HydrophobicContact CG-CE 3.9Å; R144-M206 HydrophobicContact CG-SD 4.13Å; L147-M206 HydrophobicContact CB-CG 3.91Å; L147-M206 HydrophobicContact CB-SD 3.69Å; L147-M206 HydrophobicContact CD1-CG 4.13Å; S150-M206 PolarHBondContact O-N 2.89Å; L151-M206 WeakPolarHBondContact CA-O 3.49Å; L151-M206 HydrophobicContact CD2-CB 3.8Å; Y152-M206 PolarHBondContact N-O 2.95Å; L195-M206 HydrophobicContact CB-CE 4.45Å; V197-M206 HydrophobicContact CG2-CG 3.62Å
207L94.9Very high93.6Very high4 Ų433.8 Ų33.82%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-74.4133179.6-62.1179.6000111.2Y152 H196 C198 I200 Y211 M212 I252 I256 L259Y152-L207 HydrophobicContact CD1-CD2 3.72Å; Y152-L207 HydrophobicContact CG-CD2 4.36Å; H196-L207 HydrophobicContact CB-CB 4.38Å; H196-L207 WeakPolarHBondContact O-CB 3.35Å; H196-L207 WeakPolarHBondContact O-CG 3.24Å; H196-L207 PolarHBondContact O-N 3.44Å; C198-L207 HydrophobicContact CB-CD1 4.33Å; C198-L207 HydrophobicContact CB-CD2 4.37Å; C198-L207 HydrophobicContact CB-CG 4.26Å; C198-L207 VanDerWaalsContact SG-CD1 3.5Å; I200-L207 HydrophobicContact CD1-CD2 4.33Å; L207-Y211 HydrophobicContact CD2-CD1 4.42Å; L207-M212 HydrophobicContact CB-CE 4.34Å; L207-M212 HydrophobicContact CB-CG 3.86Å; L207-M212 HydrophobicContact CB-SD 3.86Å; L207-M212 HydrophobicContact CD1-CG 4.07Å; L207-M212 HydrophobicContact CD1-SD 4.13Å; L207-I252 HydrophobicContact CD2-CG2 4.36Å; L207-I256 HydrophobicContact CD1-CD1 3.86Å; L207-I256 HydrophobicContact CD1-CG1 3.48Å; L207-I256 VanDerWaalsContact CD1-CG1 3.48Å; L207-L259 HydrophobicContact CD1-CD1 4.27Å
208D93.1Very high93.8Very high37 Ų3734.9 Ų34.920%0.19817%0.17CC..PPolyproline II helixtrans-71.8148.1172.2-177.762.9000112.2Y152 Y153 E210 Y211 M212Y152-D208 WeakPolarHBondContact O-CB 3.08Å; Y152-D208 PolarHBondContact O-N 3.3Å; Y153-D208 HydrophobicContact CD1-CB 3.62Å; Y153-D208 HydrophobicContact CE1-CB 3.97Å; Y153-D208 HydrophobicContact CG-CB 4.4Å; D208-E210 WeakPolarHBondContact OD2-CA 3.44Å; D208-E210 WeakPolarHBondContact OD2-CB 3.34Å; D208-E210 PolarHBondContact OD2-N 2.76Å; D208-Y211 PolarHBondContact O-N 2.79Å; D208-Y211 PolarHBondContact OD2-N 3.34Å; D208-M212 WeakPolarHBondContact O-CE 3.46Å; D208-M212 WeakPolarHBondContact O-CG 3.34Å; D208-M212 PolarHBondContact O-N 3Å
209H92Very high94Very high19 Ų1934.9 Ų34.99%0.08817%0.17CC..Hα-helixtrans-71.4-32.1-176.9-68.873.8000112.8H196 M212 T213 E290 H291 R362H196-H209 AromaticContact CE1-NE2 3.91Å; H196-H209 AromaticContact ND1-NE2 3.82Å; H209-M212 HydrophobicContact CB-CE 4.38Å; H209-T213 WeakPolarHBondContact O-CB 3.46Å; H209-T213 PolarHBondContact O-N 2.84Å; H209-T213 PolarHBondContact O-OG1 2.82Å; H209-E290 IonicContact CD2-OE2 2.69Å; H209-E290 IonicContact NE2-OE2 2.89Å; H209-E290 PolarHBondContact NE2-OE2 3.02Å; H209-H291 HydrophobicContact CB-CB 4.08Å; H209-R362 PolarHBondContact CE1-NH2 3.19Å; H209-R362 PolarHBondContact ND1-NH2 2.79Å
210E94.7Very high94.3Very high83 Ų8333.1 Ų33.139%0.38816%0.161SC..Hα-helixtrans-67-46.3173.6177.959.7150.600110.3D208 M212 T213 Q214 H291D208-E210 WeakPolarHBondContact OD2-CA 3.44Å; D208-E210 WeakPolarHBondContact OD2-CB 3.34Å; D208-E210 PolarHBondContact OD2-N 2.76Å; E210-M212 PolarHBondContact O-N 3.28Å; E210-T213 CarbonylContact O-C 3.56Å; E210-T213 WeakPolarHBondContact O-CA 3.43Å; E210-T213 WeakPolarHBondContact O-CB 3.37Å; E210-T213 PolarHBondContact O-N 3.21Å; E210-Q214 PolarHBondContact O-N 3.47Å; E210-H291 WeakPolarHBondContact CA-ND1 3.34Å; E210-H291 WeakPolarHBondContact CB-ND1 3.12Å; E210-H291 IonicContact OE1-CE1 3.89Å; E210-H291 IonicContact OE1-NE2 3.87Å; E210-H291 IonicContact OE2-CD2 2.86Å; E210-H291 PolarHBondContact OE2-CD2 2.83Å; E210-H291 IonicContact OE2-CE1 3.15Å; E210-H291 PolarHBondContact OE2-CE1 2.86Å; E210-H291 IonicContact OE2-CG 3.84Å; E210-H291 IonicContact OE2-ND1 3.08Å; E210-H291 PolarHBondContact OE2-ND1 3.46Å; E210-H291 IonicContact OE2-NE2 3.82Å; E210-H291 PolarHBondContact OE2-NE2 3.38Å
211Y95.7Very high94.6Very high10 Ų1034.8 Ų34.84%0.03918%0.176CC..Hα-helixtrans-59.4-45.2177.4179.8-109.5000112.5Y152 Y153 L207 D208 T213 Q214 V215 H248 I252 I256Y152-Y211 AromaticContact CD1-CD1 3.95Å; Y152-Y211 HydrophobicContact CD1-CD1 3.95Å; Y152-Y211 AromaticContact CD1-CE1 3.92Å; Y152-Y211 HydrophobicContact CD1-CE1 3.92Å; Y152-Y211 AromaticContact CE1-CD1 3.96Å; Y152-Y211 HydrophobicContact CE1-CD1 3.96Å; Y152-Y211 AromaticContact CE1-CE1 3.51Å; Y152-Y211 HydrophobicContact CE1-CE1 3.51Å; Y152-Y211 HydrophobicContact CE1-CE2 4.4Å; Y152-Y211 AromaticContact CE1-CZ 3.75Å; Y153-Y211 WeakPolarHBondContact O-CB 3.42Å; Y153-Y211 WeakPolarHBondContact O-CD2 3.43Å; L207-Y211 HydrophobicContact CD2-CD1 4.42Å; D208-Y211 PolarHBondContact O-N 2.79Å; D208-Y211 PolarHBondContact OD2-N 3.34Å; Y211-T213 VanDerWaalsContact C-N 3.29Å; Y211-T213 PolarHBondContact O-N 2.96Å; Y211-Q214 WeakPolarHBondContact O-CB 3.43Å; Y211-Q214 PolarHBondContact O-N 3.09Å; Y211-V215 HydrophobicContact CD1-CG2 4.39Å; Y211-V215 HydrophobicContact CE1-CG2 3.82Å; Y211-V215 HydrophobicContact CE2-CG2 3.97Å; Y211-V215 WeakPolarHBondContact O-CG2 3.21Å; Y211-V215 PolarHBondContact O-N 2.75Å; Y211-H248 AromaticContact CE2-ND1 3.77Å; Y211-H248 AromaticContact CZ-ND1 3.89Å; Y211-H248 PolarHBondContact OH-ND1 2.89Å; Y211-I252 HydrophobicContact CE1-CG2 3.89Å; Y211-I256 HydrophobicContact CD1-CD1 4.3Å; Y211-I256 HydrophobicContact CE1-CD1 3.79Å
212M96.3Very high95.1Very high1 Ų129.9 Ų29.91%0.00515%0.15CC..Hα-helixtrans-61.9-38.3175.2-71.8-175.6-68.200112.1H196 L207 D208 H209 E210 Q214 V215 V216 I256 I287H196-M212 HydrophobicContact CB-CE 4.03Å; H196-M212 HydrophobicContact CB-SD 3.75Å; H196-M212 WeakPolarHBondContact ND1-CE 2.98Å; L207-M212 HydrophobicContact CB-CE 4.34Å; L207-M212 HydrophobicContact CB-CG 3.86Å; L207-M212 HydrophobicContact CB-SD 3.86Å; L207-M212 HydrophobicContact CD1-CG 4.07Å; L207-M212 HydrophobicContact CD1-SD 4.13Å; D208-M212 WeakPolarHBondContact O-CE 3.46Å; D208-M212 WeakPolarHBondContact O-CG 3.34Å; D208-M212 PolarHBondContact O-N 3Å; H209-M212 HydrophobicContact CB-CE 4.38Å; E210-M212 PolarHBondContact O-N 3.28Å; M212-Q214 VanDerWaalsContact C-N 3.32Å; M212-V215 PolarHBondContact O-N 3.4Å; M212-V216 VanDerWaalsContact O-CG2 3.31Å; M212-V216 WeakPolarHBondContact O-CG2 3.41Å; M212-V216 PolarHBondContact O-N 3.06Å; M212-I256 HydrophobicContact CG-CD1 4.38Å; M212-I287 HydrophobicContact CB-CG2 3.8Å; M212-I287 HydrophobicContact SD-CD1 4.35Å
213T96.3Very high95.5Very high9 Ų928 Ų286%0.05513%0.131CC..Hα-helixtrans-64.4-38.9176-60.80000111.2H209 E210 Y211 V216 R217 V288H209-T213 WeakPolarHBondContact O-CB 3.46Å; H209-T213 PolarHBondContact O-N 2.84Å; H209-T213 PolarHBondContact O-OG1 2.82Å; E210-T213 CarbonylContact O-C 3.56Å; E210-T213 WeakPolarHBondContact O-CA 3.43Å; E210-T213 WeakPolarHBondContact O-CB 3.37Å; E210-T213 PolarHBondContact O-N 3.21Å; Y211-T213 VanDerWaalsContact C-N 3.29Å; Y211-T213 PolarHBondContact O-N 2.96Å; T213-V216 WeakPolarHBondContact O-CB 3.43Å; T213-V216 PolarHBondContact O-N 3.37Å; T213-R217 WeakPolarHBondContact O-CG 2.99Å; T213-R217 PolarHBondContact O-N 3.37Å; T213-V288 HydrophobicContact CG2-CG2 4.19Å
214Q96.7Very high95.7Very high57 Ų5727.8 Ų27.827%0.26614%0.137SC..Hα-helixtrans-62.7-49.1174.6-172.855.150.300111.5E210 Y211 M212 V216 R217 D218E210-Q214 PolarHBondContact O-N 3.47Å; Y211-Q214 WeakPolarHBondContact O-CB 3.43Å; Y211-Q214 PolarHBondContact O-N 3.09Å; M212-Q214 VanDerWaalsContact C-N 3.32Å; Q214-V216 VanDerWaalsContact C-N 3.28Å; Q214-V216 PolarHBondContact O-N 3.06Å; Q214-R217 WeakPolarHBondContact O-CB 3.43Å; Q214-R217 PolarHBondContact O-N 3Å; Q214-D218 PolarHBondContact NE2-OD1 3.14Å; Q214-D218 PolarHBondContact NE2-OD2 3.01Å; Q214-D218 VanDerWaalsContact O-CG 3.31Å; Q214-D218 PolarHBondContact O-N 2.86Å
215V96.9Very high95.8Very high2 Ų235.2 Ų35.21%0.01217%0.171CC..Hα-helixtrans-59.6-38.4176.5176.10000111.9Y211 M212 L219 I256Y211-V215 HydrophobicContact CD1-CG2 4.39Å; Y211-V215 HydrophobicContact CE1-CG2 3.82Å; Y211-V215 HydrophobicContact CE2-CG2 3.97Å; Y211-V215 WeakPolarHBondContact O-CG2 3.21Å; Y211-V215 PolarHBondContact O-N 2.75Å; M212-V215 PolarHBondContact O-N 3.4Å; V215-L219 WeakPolarHBondContact O-CB 3.48Å; V215-L219 PolarHBondContact O-N 2.93Å; V215-I256 HydrophobicContact CB-CD1 4.09Å; V215-I256 HydrophobicContact CB-CG2 4.37Å; V215-I256 HydrophobicContact CG1-CB 4.32Å; V215-I256 HydrophobicContact CG1-CD1 4.06Å; V215-I256 HydrophobicContact CG1-CG2 3.86Å; V215-I256 HydrophobicContact CG2-CD1 3.77Å
216V97.1Very high95.9Very high1 Ų138.8 Ų38.81%0.00619%0.191CC..Hα-helixtrans-60.7-48.8172.6167.70000110.4M212 T213 Q214 D218 L219 F220 I260 I284 P313M212-V216 VanDerWaalsContact O-CG2 3.31Å; M212-V216 WeakPolarHBondContact O-CG2 3.41Å; M212-V216 PolarHBondContact O-N 3.06Å; T213-V216 WeakPolarHBondContact O-CB 3.43Å; T213-V216 PolarHBondContact O-N 3.37Å; Q214-V216 VanDerWaalsContact C-N 3.28Å; Q214-V216 PolarHBondContact O-N 3.06Å; V216-D218 VanDerWaalsContact C-N 3.32Å; V216-D218 PolarHBondContact O-N 3.25Å; V216-L219 PolarHBondContact O-N 3.05Å; V216-F220 HydrophobicContact CG1-CD2 4.14Å; V216-F220 HydrophobicContact CG1-CE2 4.14Å; V216-F220 VanDerWaalsContact O-CD2 3.25Å; V216-F220 WeakPolarHBondContact O-CD2 3.49Å; V216-F220 PolarHBondContact O-N 3.23Å; V216-F220 VanDerWaalsContact O-N 3.14Å; V216-I260 HydrophobicContact CG2-CD1 3.64Å; V216-I284 HydrophobicContact CG1-CG2 3.78Å; V216-P313 HydrophobicContact CG1-CG 3.83Å
217R97Very high95.8Very high140 Ų14042.3 Ų42.353%0.52822%0.223SC..Hα-helixtrans-59.4-44.9179.6-74.8175.759.9-140.9-8.2111.6T213 Q214 F220 A221T213-R217 WeakPolarHBondContact O-CG 2.99Å; T213-R217 PolarHBondContact O-N 3.37Å; Q214-R217 WeakPolarHBondContact O-CB 3.43Å; Q214-R217 PolarHBondContact O-N 3Å; R217-F220 PolarHBondContact O-N 3Å; R217-A221 WeakPolarHBondContact O-CB 3.45Å; R217-A221 PolarHBondContact O-N 3.41Å
218D97.5Very high95.7Very high25 Ų2544.8 Ų44.813%0.13423%0.232CC..Hα-helixtrans-68-36.5-178.5-61.5-28.8000111.5Q214 V216 F220 A221 L222 L244 H248Q214-D218 PolarHBondContact NE2-OD1 3.14Å; Q214-D218 PolarHBondContact NE2-OD2 3.01Å; Q214-D218 VanDerWaalsContact O-CG 3.31Å; Q214-D218 PolarHBondContact O-N 2.86Å; V216-D218 VanDerWaalsContact C-N 3.32Å; V216-D218 PolarHBondContact O-N 3.25Å; D218-F220 PolarHBondContact O-N 3.42Å; D218-A221 PolarHBondContact O-N 2.91Å; D218-L222 WeakPolarHBondContact O-CB 3.44Å; D218-L222 PolarHBondContact O-N 2.79Å; D218-L244 HydrophobicContact CB-CD2 3.88Å; D218-H248 IonicContact OD2-CE1 2.82Å; D218-H248 PolarHBondContact OD2-CE1 3.14Å; D218-H248 IonicContact OD2-NE2 2.76Å; D218-H248 PolarHBondContact OD2-NE2 3.33Å; D218-H248 VanDerWaalsContact OD2-NE2 3.09Å
219L97.4Very high95.6Very high2 Ų246.5 Ų46.51%0.0124%0.241CC..Hα-helixtrans-61.3-42.5173.2177.363.6000112.7V215 V216 A223 F235 L244 M257 I260V215-L219 WeakPolarHBondContact O-CB 3.48Å; V215-L219 PolarHBondContact O-N 2.93Å; V216-L219 PolarHBondContact O-N 3.05Å; L219-A223 PolarHBondContact O-N 3.13Å; L219-A223 VanDerWaalsContact O-N 3.13Å; L219-F235 HydrophobicContact CD1-CD1 3.86Å; L219-F235 HydrophobicContact CD1-CE1 4.1Å; L219-F235 HydrophobicContact CD1-CG 4.33Å; L219-F235 HydrophobicContact CD2-CD2 4.41Å; L219-F235 HydrophobicContact CD2-CE1 4.4Å; L219-F235 HydrophobicContact CD2-CE2 4.29Å; L219-F235 HydrophobicContact CD2-CZ 4.31Å; L219-F235 HydrophobicContact CG-CD1 4.08Å; L219-F235 HydrophobicContact CG-CE1 3.84Å; L219-F235 HydrophobicContact CG-CZ 4.14Å; L219-L244 HydrophobicContact CB-CD1 4.2Å; L219-L244 HydrophobicContact CD1-CD1 4.3Å; L219-M257 HydrophobicContact CD1-CE 4.07Å; L219-M257 HydrophobicContact CD1-SD 4.38Å; L219-M257 HydrophobicContact CD2-CE 4.29Å; L219-M257 HydrophobicContact CD2-CG 4.33Å; L219-I260 HydrophobicContact CD2-CD1 4.22Å
220F96.9Very high95.6Very high14 Ų1445.7 Ų45.76%0.06124%0.237CC..Hα-helixtrans-74.4-36.7179-81.7-105.3000111.9V216 R217 D218 L222 A223 D224 W230 F235 P279 I284 P313 L316V216-F220 HydrophobicContact CG1-CD2 4.14Å; V216-F220 HydrophobicContact CG1-CE2 4.14Å; V216-F220 VanDerWaalsContact O-CD2 3.25Å; V216-F220 WeakPolarHBondContact O-CD2 3.49Å; V216-F220 PolarHBondContact O-N 3.23Å; V216-F220 VanDerWaalsContact O-N 3.14Å; R217-F220 PolarHBondContact O-N 3Å; D218-F220 PolarHBondContact O-N 3.42Å; F220-L222 VanDerWaalsContact C-N 3.32Å; F220-L222 PolarHBondContact O-N 3.29Å; F220-A223 PolarHBondContact O-N 2.96Å; F220-D224 PolarHBondContact O-N 2.89Å; F220-W230 HydrophobicContact CD1-CZ2 4.13Å; F220-W230 AromaticContact CD1-NE1 3.94Å; F220-W230 HydrophobicContact CE1-CD2 4.17Å; F220-W230 AromaticContact CE1-CE2 3.61Å; F220-W230 AromaticContact CE1-CH2 3.93Å; F220-W230 HydrophobicContact CE1-CH2 3.93Å; F220-W230 AromaticContact CE1-CZ2 3.5Å; F220-W230 HydrophobicContact CE1-CZ2 3.5Å; F220-W230 VanDerWaalsContact CE1-CZ2 3.5Å; F220-W230 HydrophobicContact CE1-CZ3 4.43Å; F220-W230 AromaticContact CE1-NE1 3.99Å; F220-F235 HydrophobicContact CD1-CZ 4.22Å; F220-F235 HydrophobicContact CD2-CZ 4.07Å; F220-F235 HydrophobicContact CE1-CZ 4.05Å; F220-F235 HydrophobicContact CE2-CE2 4.27Å; F220-F235 AromaticContact CE2-CZ 3.89Å; F220-F235 HydrophobicContact CE2-CZ 3.89Å; F220-F235 HydrophobicContact CG-CZ 4.27Å; F220-F235 HydrophobicContact CZ-CE2 4.18Å; F220-F235 AromaticContact CZ-CZ 3.89Å; F220-F235 HydrophobicContact CZ-CZ 3.89Å; F220-P279 HydrophobicContact CZ-CB 4.09Å; F220-P279 HydrophobicContact CZ-CG 4.33Å; F220-I284 HydrophobicContact CE2-CD1 4.03Å; F220-I284 HydrophobicContact CZ-CD1 4.12Å; F220-P313 HydrophobicContact CB-CB 4.33Å; F220-P313 HydrophobicContact CD1-CB 3.32Å; F220-P313 HydrophobicContact CD1-CG 4.03Å; F220-P313 HydrophobicContact CD2-CB 4.04Å; F220-P313 HydrophobicContact CD2-CG 3.79Å; F220-P313 HydrophobicContact CE1-CB 3.42Å; F220-P313 VanDerWaalsContact CE1-CB 3.42Å; F220-P313 HydrophobicContact CE1-CG 4.1Å; F220-P313 HydrophobicContact CE2-CB 4.14Å; F220-P313 HydrophobicContact CE2-CG 3.88Å; F220-P313 HydrophobicContact CG-CB 3.63Å; F220-P313 HydrophobicContact CG-CG 3.86Å; F220-P313 HydrophobicContact CZ-CB 3.84Å; F220-P313 HydrophobicContact CZ-CG 4.02Å; F220-L316 HydrophobicContact CE1-CD1 4.46Å; F220-L316 HydrophobicContact CZ-CD1 3.91Å; F220-L316 HydrophobicContact CZ-CG 4.48Å
221A96.8Very high95.4Very high41 Ų4143 Ų4334%0.33922%0.223SC..Hα-helixtrans-59.6-43.7171.200000111.3R217 D218 A223 D224 E225R217-A221 WeakPolarHBondContact O-CB 3.45Å; R217-A221 PolarHBondContact O-N 3.41Å; D218-A221 PolarHBondContact O-N 2.91Å; A221-A223 VanDerWaalsContact C-N 3.3Å; A221-A223 PolarHBondContact O-N 2.81Å; A221-D224 PolarHBondContact O-N 3.48Å; A221-D224 VanDerWaalsContact O-N 3.15Å; A221-E225 WeakPolarHBondContact O-CG 3.33Å; A221-E225 PolarHBondContact O-N 3.43Å
222L97.3Very high95Very high14 Ų1448 Ų487%0.07325%0.246CC..Hα-helixtrans-60.1-39.8175.3-177.569.3000112.1D218 F220 E225 N226 W228 L244D218-L222 WeakPolarHBondContact O-CB 3.44Å; D218-L222 PolarHBondContact O-N 2.79Å; F220-L222 VanDerWaalsContact C-N 3.32Å; F220-L222 PolarHBondContact O-N 3.29Å; L222-E225 PolarHBondContact O-N 2.89Å; L222-N226 WeakPolarHBondContact CD1-ND2 3.42Å; L222-N226 WeakPolarHBondContact O-CB 3.38Å; L222-N226 PolarHBondContact O-N 2.78Å; L222-N226 PolarHBondContact O-ND2 3.37Å; L222-W228 HydrophobicContact CD2-CH2 3.82Å; L222-W228 HydrophobicContact CD2-CZ3 3.96Å; L222-W228 HydrophobicContact CG-CH2 4.06Å; L222-W228 HydrophobicContact CG-CZ3 4.11Å; L222-L244 HydrophobicContact CB-CD2 4.39Å; L222-L244 HydrophobicContact CD2-CD2 4.25Å; L222-L244 HydrophobicContact CD2-CG 4Å
223A96Very high94.6Very high0 Ų053.2 Ų53.20%027%0.266CS..Hα-helixtrans-65.4-39.7175.200000112.7L219 F220 A221 N226 A227 W228 F235L219-A223 PolarHBondContact O-N 3.13Å; L219-A223 VanDerWaalsContact O-N 3.13Å; F220-A223 PolarHBondContact O-N 2.96Å; A221-A223 VanDerWaalsContact C-N 3.3Å; A221-A223 PolarHBondContact O-N 2.81Å; A223-N226 CarbonylContact O-C 3.5Å; A223-N226 PolarHBondContact O-N 2.83Å; A223-A227 CarbonylContact O-C 3.44Å; A223-A227 WeakPolarHBondContact O-CA 3.18Å; A223-A227 PolarHBondContact O-N 2.64Å; A223-W228 HydrophobicContact CB-CB 3.97Å; A223-W228 HydrophobicContact CB-CD2 4.48Å; A223-W228 HydrophobicContact CB-CE3 3.88Å; A223-W228 PolarHBondContact O-N 2.81Å; A223-F235 HydrophobicContact CB-CD1 4.15Å; A223-F235 HydrophobicContact CB-CE1 3.55Å
224D94.9Very high94.3Very high102 Ų10252.9 Ų52.955%0.54526%0.264SS..Hα-helixtrans-65.3-43.3176.2-69.9-24.1000111F220 A221 N226 A227F220-D224 PolarHBondContact O-N 2.89Å; A221-D224 PolarHBondContact O-N 3.48Å; A221-D224 VanDerWaalsContact O-N 3.15Å; D224-N226 VanDerWaalsContact C-N 3.33Å; D224-N226 PolarHBondContact O-N 3.3Å; D224-A227 PolarHBondContact O-N 3.46Å
225E96.3Very high94.2Very high156 Ų15650.1 Ų50.173%0.72925%0.251SS*.Hα-helixtrans-59.8-40.5176.2-73.4174.8-17400112.8A221 L222 A227A221-E225 WeakPolarHBondContact O-CG 3.33Å; A221-E225 PolarHBondContact O-N 3.43Å; L222-E225 PolarHBondContact O-N 2.89Å; E225-A227 VanDerWaalsContact C-N 3.35Å
226N95.5Very high94Very high83 Ų8350.4 Ų50.444%0.44425%0.253SS..THydrogen-bonded Turntrans-91.85.5179.5-67.8-82.1000113.6L222 A223 D224 W228L222-N226 WeakPolarHBondContact CD1-ND2 3.42Å; L222-N226 WeakPolarHBondContact O-CB 3.38Å; L222-N226 PolarHBondContact O-N 2.78Å; L222-N226 PolarHBondContact O-ND2 3.37Å; A223-N226 CarbonylContact O-C 3.5Å; A223-N226 PolarHBondContact O-N 2.83Å; D224-N226 VanDerWaalsContact C-N 3.33Å; D224-N226 PolarHBondContact O-N 3.3Å; N226-W228 HydrophobicContact CB-CD2 4.01Å; N226-W228 HydrophobicContact CB-CG 4.08Å; N226-W228 HydrophobicContact CB-CZ2 4Å; N226-W228 VanDerWaalsContact CB-NE1 3.28Å; N226-W228 PolarHBondContact O-N 2.96Å
227A93.5Very high93.9Very high89 Ų8951.4 Ų51.474%0.73626%0.258SS*.THydrogen-bonded Turntrans50.539.8-175.600000113.9A223 D224 E225 D229A223-A227 CarbonylContact O-C 3.44Å; A223-A227 WeakPolarHBondContact O-CA 3.18Å; A223-A227 PolarHBondContact O-N 2.64Å; D224-A227 PolarHBondContact O-N 3.46Å; E225-A227 VanDerWaalsContact C-N 3.35Å; A227-D229 PolarHBondContact O-N 3.02Å
228W92.6Very high93.7Very high55 Ų5550.7 Ų50.721%0.20826%0.261CS..  trans-75.3118.7177.2-65.7-13.9000111.3L222 A223 N226 W230 F235 P236 A239 S240L222-W228 HydrophobicContact CD2-CH2 3.82Å; L222-W228 HydrophobicContact CD2-CZ3 3.96Å; L222-W228 HydrophobicContact CG-CH2 4.06Å; L222-W228 HydrophobicContact CG-CZ3 4.11Å; A223-W228 HydrophobicContact CB-CB 3.97Å; A223-W228 HydrophobicContact CB-CD2 4.48Å; A223-W228 HydrophobicContact CB-CE3 3.88Å; A223-W228 PolarHBondContact O-N 2.81Å; N226-W228 HydrophobicContact CB-CD2 4.01Å; N226-W228 HydrophobicContact CB-CG 4.08Å; N226-W228 HydrophobicContact CB-CZ2 4Å; N226-W228 VanDerWaalsContact CB-NE1 3.28Å; N226-W228 PolarHBondContact O-N 2.96Å; W228-W230 PolarHBondContact O-N 3.33Å; W228-F235 AromaticContact CE3-CD1 3.99Å; W228-F235 HydrophobicContact CE3-CD1 3.99Å; W228-F235 HydrophobicContact CZ3-CD1 4.32Å; W228-P236 HydrophobicContact CD2-CG 3.85Å; W228-P236 HydrophobicContact CE3-CG 3.97Å; W228-P236 HydrophobicContact CH2-CG 3.66Å; W228-P236 HydrophobicContact CZ2-CG 3.51Å; W228-P236 HydrophobicContact CZ3-CG 3.88Å; W228-A239 HydrophobicContact CH2-CB 4.12Å; W228-A239 HydrophobicContact CZ2-CB 3.97Å; W228-S240 WeakPolarHBondContact CZ3-OG 3.39Å
229D90.6Very high93.6Very high73 Ų7351.1 Ų51.139%0.3927%0.268SS..  trans-78.471.1167.6-176.21.8000110.4A227 R231 K232 Y233A227-D229 PolarHBondContact O-N 3.02Å; D229-R231 PolarHBondContact O-N 3.37Å; D229-R231 PolarHBondContact OD1-N 2.81Å; D229-K232 PolarHBondContact O-N 2.96Å; D229-K232 VanDerWaalsContact O-N 3.16Å; D229-K232 PolarHBondContact OD1-N 2.95Å; D229-K232 VanDerWaalsContact OD2-CB 3.23Å; D229-K232 WeakPolarHBondContact OD2-CB 3.38Å; D229-Y233 HydrophobicContact CB-CD2 4.05Å; D229-Y233 HydrophobicContact CB-CE2 4.32Å; D229-Y233 PolarHBondContact O-N 3.21Å
230W91.9Very high93.6Very high2 Ų251 Ų511%0.00827%0.267CS..Hα-helixtrans-62.6-22.1-179.861.6-99.9000112.6F220 W228 K232 G234 F235 P279 N314 L316 Y437F220-W230 HydrophobicContact CD1-CZ2 4.13Å; F220-W230 AromaticContact CD1-NE1 3.94Å; F220-W230 HydrophobicContact CE1-CD2 4.17Å; F220-W230 AromaticContact CE1-CE2 3.61Å; F220-W230 AromaticContact CE1-CH2 3.93Å; F220-W230 HydrophobicContact CE1-CH2 3.93Å; F220-W230 AromaticContact CE1-CZ2 3.5Å; F220-W230 HydrophobicContact CE1-CZ2 3.5Å; F220-W230 VanDerWaalsContact CE1-CZ2 3.5Å; F220-W230 HydrophobicContact CE1-CZ3 4.43Å; F220-W230 AromaticContact CE1-NE1 3.99Å; W228-W230 PolarHBondContact O-N 3.33Å; W230-K232 VanDerWaalsContact C-N 3.34Å; W230-G234 WeakPolarHBondContact O-CA 3.28Å; W230-G234 PolarHBondContact O-N 3.37Å; W230-F235 HydrophobicContact CB-CD1 4.13Å; W230-F235 HydrophobicContact CB-CD2 4.16Å; W230-F235 HydrophobicContact CB-CE1 3.94Å; W230-F235 HydrophobicContact CB-CE2 3.95Å; W230-F235 HydrophobicContact CB-CG 4.24Å; W230-F235 HydrophobicContact CB-CZ 3.82Å; W230-F235 HydrophobicContact CD2-CE2 4.42Å; W230-F235 HydrophobicContact CD2-CZ 4.19Å; W230-F235 HydrophobicContact CG-CE1 4.11Å; W230-F235 HydrophobicContact CG-CE2 4.16Å; W230-F235 AromaticContact CG-CZ 3.75Å; W230-F235 HydrophobicContact CG-CZ 3.75Å; W230-P279 HydrophobicContact CD2-CG 4.32Å; W230-P279 HydrophobicContact CE3-CG 3.35Å; W230-P279 HydrophobicContact CZ3-CG 3.5Å; W230-N314 VanDerWaalsContact CZ2-O 3.3Å; W230-N314 WeakPolarHBondContact CZ2-O 3.46Å; W230-L316 HydrophobicContact CH2-CD2 4.03Å; W230-L316 HydrophobicContact CH2-CG 4.42Å; W230-L316 HydrophobicContact CZ3-CD2 4.21Å; W230-Y437 HydrophobicContact CE3-CD2 4.5Å; W230-Y437 HydrophobicContact CE3-CE2 4.36Å; W230-Y437 HydrophobicContact CH2-CD1 4.22Å; W230-Y437 HydrophobicContact CH2-CG 4.25Å; W230-Y437 AromaticContact CZ3-CD1 3.66Å; W230-Y437 HydrophobicContact CZ3-CD1 3.66Å; W230-Y437 AromaticContact CZ3-CD2 3.95Å; W230-Y437 HydrophobicContact CZ3-CD2 3.95Å; W230-Y437 AromaticContact CZ3-CE1 3.81Å; W230-Y437 HydrophobicContact CZ3-CE1 3.81Å; W230-Y437 HydrophobicContact CZ3-CE2 4.06Å; W230-Y437 AromaticContact CZ3-CG 3.72Å; W230-Y437 HydrophobicContact CZ3-CG 3.72Å; W230-Y437 AromaticContact CZ3-CZ 3.99Å
231R90.1Very high93.6Very high26 Ų2651.4 Ų51.410%0.09827%0.27CS..Hα-helixtrans-66-41.6176.7-68.1175.717972.2-4.6110.5D229 N314 Y437 E438 Y440D229-R231 PolarHBondContact O-N 3.37Å; D229-R231 PolarHBondContact OD1-N 2.81Å; R231-N314 VanDerWaalsContact NH2-C 3.32Å; R231-N314 PolarHBondContact NH2-O 3.16Å; R231-Y437 HydrophobicContact CB-CD2 3.72Å; R231-Y437 HydrophobicContact CB-CE2 4.45Å; R231-Y437 HydrophobicContact CB-CG 4.39Å; R231-Y437 HydrophobicContact CG-CD2 3.92Å; R231-Y437 HydrophobicContact CG-CG 4.11Å; R231-Y437 WeakPolarHBondContact O-CD2 3.46Å; R231-Y437 WeakPolarHBondContact O-CE2 3.43Å; R231-E438 PolarHBondContact NE-O 3.41Å; R231-Y440 PolarHBondContact NH2-OH 3.41Å
232K87.6Confident93.6Very high117 Ų11755.7 Ų55.751%0.50928%0.283SS..Hα-helixtrans-88.7-45.1-178.3-169.3171.2176.8-173.30113.1D229 W230 Y278D229-K232 PolarHBondContact O-N 2.96Å; D229-K232 VanDerWaalsContact O-N 3.16Å; D229-K232 PolarHBondContact OD1-N 2.95Å; D229-K232 VanDerWaalsContact OD2-CB 3.23Å; D229-K232 WeakPolarHBondContact OD2-CB 3.38Å; W230-K232 VanDerWaalsContact C-N 3.34Å; K232-Y278 PolarHBondContact O-OH 3.21Å
233Y87.7Confident93.5Very high109 Ų10956.6 Ų56.643%0.42730%0.296SS..Hα-helixtrans-112.3-10-169.7-53.2-67.8000114.5D229 Y276 Y278D229-Y233 HydrophobicContact CB-CD2 4.05Å; D229-Y233 HydrophobicContact CB-CE2 4.32Å; D229-Y233 PolarHBondContact O-N 3.21Å; Y233-Y276 WeakPolarHBondContact O-CB 3.34Å; Y233-Y276 WeakPolarHBondContact O-CD1 3.47Å; Y233-Y278 VanDerWaalsContact C-CZ 3.48Å; Y233-Y278 PolarHBondContact O-OH 3.28Å
234G90.7Very high93.6Very high2 Ų256.8 Ų56.82%0.02130%0.297CS..  trans78.9177.9-174.600000113.1W230 V277 Y278W230-G234 WeakPolarHBondContact O-CA 3.28Å; W230-G234 PolarHBondContact O-N 3.37Å; G234-V277 CarbonylContact C-O 3.57Å; G234-V277 WeakPolarHBondContact CA-O 3.36Å; G234-Y278 VanDerWaalsContact N-CE1 3.29Å
235F93.9Very high93.6Very high0 Ų053.9 Ų53.90%029%0.287CS..EExtended strand (participates in β ladder)trans-84.6132.9173.4-64.8-83.3000110.5L219 F220 A223 W228 W230 L237 M257 Y276 V277 P279L219-F235 HydrophobicContact CD1-CD1 3.86Å; L219-F235 HydrophobicContact CD1-CE1 4.1Å; L219-F235 HydrophobicContact CD1-CG 4.33Å; L219-F235 HydrophobicContact CD2-CD2 4.41Å; L219-F235 HydrophobicContact CD2-CE1 4.4Å; L219-F235 HydrophobicContact CD2-CE2 4.29Å; L219-F235 HydrophobicContact CD2-CZ 4.31Å; L219-F235 HydrophobicContact CG-CD1 4.08Å; L219-F235 HydrophobicContact CG-CE1 3.84Å; L219-F235 HydrophobicContact CG-CZ 4.14Å; F220-F235 HydrophobicContact CD1-CZ 4.22Å; F220-F235 HydrophobicContact CD2-CZ 4.07Å; F220-F235 HydrophobicContact CE1-CZ 4.05Å; F220-F235 HydrophobicContact CE2-CE2 4.27Å; F220-F235 AromaticContact CE2-CZ 3.89Å; F220-F235 HydrophobicContact CE2-CZ 3.89Å; F220-F235 HydrophobicContact CG-CZ 4.27Å; F220-F235 HydrophobicContact CZ-CE2 4.18Å; F220-F235 AromaticContact CZ-CZ 3.89Å; F220-F235 HydrophobicContact CZ-CZ 3.89Å; A223-F235 HydrophobicContact CB-CD1 4.15Å; A223-F235 HydrophobicContact CB-CE1 3.55Å; W228-F235 AromaticContact CE3-CD1 3.99Å; W228-F235 HydrophobicContact CE3-CD1 3.99Å; W228-F235 HydrophobicContact CZ3-CD1 4.32Å; W230-F235 HydrophobicContact CB-CD1 4.13Å; W230-F235 HydrophobicContact CB-CD2 4.16Å; W230-F235 HydrophobicContact CB-CE1 3.94Å; W230-F235 HydrophobicContact CB-CE2 3.95Å; W230-F235 HydrophobicContact CB-CG 4.24Å; W230-F235 HydrophobicContact CB-CZ 3.82Å; W230-F235 HydrophobicContact CD2-CE2 4.42Å; W230-F235 HydrophobicContact CD2-CZ 4.19Å; W230-F235 HydrophobicContact CG-CE1 4.11Å; W230-F235 HydrophobicContact CG-CE2 4.16Å; W230-F235 AromaticContact CG-CZ 3.75Å; W230-F235 HydrophobicContact CG-CZ 3.75Å; F235-L237 PolarHBondContact O-N 3.37Å; F235-M257 HydrophobicContact CB-CE 4.08Å; F235-Y276 WeakPolarHBondContact O-CA 3.33Å; F235-V277 HydrophobicContact CB-CG2 4.29Å; F235-V277 PolarHBondContact N-O 2.64Å; F235-V277 PolarHBondContact O-N 3.18Å; F235-P279 HydrophobicContact CD2-CG 4.4Å; F235-P279 HydrophobicContact CE2-CB 3.97Å; F235-P279 HydrophobicContact CE2-CG 3.71Å
236P93.4Very high93.4Very high8 Ų854.1 Ų54.15%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-70114.6168.829.1-32.7000109.7W228 A239 S240 D274 Y276W228-P236 HydrophobicContact CD2-CG 3.85Å; W228-P236 HydrophobicContact CE3-CG 3.97Å; W228-P236 HydrophobicContact CH2-CG 3.66Å; W228-P236 HydrophobicContact CZ2-CG 3.51Å; W228-P236 HydrophobicContact CZ3-CG 3.88Å; P236-A239 HydrophobicContact CB-CB 4.01Å; P236-A239 HydrophobicContact CG-CB 3.91Å; P236-S240 VanDerWaalsContact O-CB 3.24Å; P236-S240 WeakPolarHBondContact O-CB 3.42Å; P236-S240 PolarHBondContact O-N 3.46Å; P236-S240 PolarHBondContact O-OG 3.48Å; P236-D274 HydrophobicContact CB-CB 4.33Å; P236-D274 WeakPolarHBondContact CB-OD2 3.32Å; P236-Y276 HydrophobicContact CB-CD1 4.44Å; P236-Y276 HydrophobicContact CB-CE1 3.91Å; P236-Y276 HydrophobicContact CG-CE1 4.48Å
237L93.4Very high93.3Very high22 Ų2255.3 Ų55.312%0.11530%0.296CS..Hα-helixtrans-63-48.3-169.3179.562.8000112.4F235 S240 I241 M257 D274 V275 V277F235-L237 PolarHBondContact O-N 3.37Å; L237-S240 PolarHBondContact O-N 3.22Å; L237-I241 HydrophobicContact CD1-CD1 3.99Å; L237-I241 HydrophobicContact CG-CD1 4.03Å; L237-I241 WeakPolarHBondContact O-CD1 3.24Å; L237-I241 VanDerWaalsContact O-CG1 3.25Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.41Å; L237-I241 VanDerWaalsContact O-N 3.09Å; L237-M257 HydrophobicContact CD1-CB 4.18Å; L237-M257 HydrophobicContact CD1-CE 3.89Å; L237-M257 HydrophobicContact CD1-SD 3.8Å; L237-D274 PolarHBondContact N-OD1 3.07Å; L237-V275 HydrophobicContact CB-CB 4.33Å; L237-V275 WeakPolarHBondContact CB-O 3.48Å; L237-V275 HydrophobicContact CD2-CB 4.43Å; L237-V275 HydrophobicContact CD2-CG1 4.43Å; L237-V275 PolarHBondContact N-O 3.1Å; L237-V277 HydrophobicContact CD1-CG2 4.47Å
238H93.9Very high93.4Very high124 Ų12451.6 Ų51.657%0.57426%0.263SS*.Hα-helixtrans-68-46.8-178.2-173.254.7000111.4S240 I241 E242 D274H238-S240 VanDerWaalsContact C-N 3.28Å; H238-S240 PolarHBondContact O-N 2.75Å; H238-I241 PolarHBondContact O-N 3.17Å; H238-E242 PolarHBondContact O-N 3.3Å; H238-D274 WeakPolarHBondContact CB-OD1 3.47Å; H238-D274 WeakPolarHBondContact CB-OD2 3.46Å; H238-D274 PolarHBondContact N-OD1 2.86Å; H238-D274 PolarHBondContact N-OD2 2.94Å; H238-D274 VanDerWaalsContact N-OD2 3.1Å
239A95.2Very high93.4Very high34 Ų3452 Ų5228%0.28127%0.27SS..Hα-helixtrans-63-34.1177.300000112.6W228 P236 G243 D274W228-A239 HydrophobicContact CH2-CB 4.12Å; W228-A239 HydrophobicContact CZ2-CB 3.97Å; P236-A239 HydrophobicContact CB-CB 4.01Å; P236-A239 HydrophobicContact CG-CB 3.91Å; A239-G243 PolarHBondContact O-N 3.37Å; A239-D274 PolarHBondContact N-OD2 3.48Å
240S96.7Very high93.6Very high0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-65.7-42.5174.2-58.70000111.9W228 P236 L237 H238 L244W228-S240 WeakPolarHBondContact CZ3-OG 3.39Å; P236-S240 VanDerWaalsContact O-CB 3.24Å; P236-S240 WeakPolarHBondContact O-CB 3.42Å; P236-S240 PolarHBondContact O-N 3.46Å; P236-S240 PolarHBondContact O-OG 3.48Å; L237-S240 PolarHBondContact O-N 3.22Å; H238-S240 VanDerWaalsContact C-N 3.28Å; H238-S240 PolarHBondContact O-N 2.75Å; S240-L244 WeakPolarHBondContact O-CB 3.25Å; S240-L244 WeakPolarHBondContact O-CG 3.13Å; S240-L244 PolarHBondContact O-N 3.26Å; S240-L244 VanDerWaalsContact O-N 3.17Å
241I96.9Very high93.6Very high22 Ų2255.4 Ų55.411%0.11329%0.291CS..Hα-helixtrans-64.9-43.4177.7-68.8163.2000110.8L237 H238 A245 P250 T253 K254 M257L237-I241 HydrophobicContact CD1-CD1 3.99Å; L237-I241 HydrophobicContact CG-CD1 4.03Å; L237-I241 WeakPolarHBondContact O-CD1 3.24Å; L237-I241 VanDerWaalsContact O-CG1 3.25Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.41Å; L237-I241 VanDerWaalsContact O-N 3.09Å; H238-I241 PolarHBondContact O-N 3.17Å; I241-A245 PolarHBondContact O-N 3.31Å; I241-P250 HydrophobicContact CG2-CB 3.63Å; I241-T253 HydrophobicContact CG1-CG2 4.29Å; I241-K254 HydrophobicContact CD1-CB 3.75Å; I241-K254 HydrophobicContact CD1-CG 4.03Å; I241-K254 HydrophobicContact CG1-CB 4.35Å; I241-M257 HydrophobicContact CG1-SD 4.46Å
242E96.6Very high93.7Very high131 Ų13154.2 Ų54.261%0.61229%0.287SS*.Hα-helixtrans-67-46.4179-172.2178.9-174.400111.7H238 L244 A245H238-E242 PolarHBondContact O-N 3.3Å; E242-L244 PolarHBondContact O-N 2.85Å; E242-A245 VanDerWaalsContact O-CB 3.27Å; E242-A245 WeakPolarHBondContact O-CB 3.35Å; E242-A245 PolarHBondContact O-N 3.5Å; E242-A245 VanDerWaalsContact O-N 3.11Å
243G96.4Very high94.1Very high34 Ų3448.7 Ų48.735%0.35126%0.263SS..Hα-helixtrans-61.2-31.1179.100000113.4A239A239-G243 PolarHBondContact O-N 3.37Å
244L97.1Very high94.4Very high3 Ų347.4 Ų47.42%0.01626%0.26CS..THydrogen-bonded Turntrans-92.7-2178.5-64.9179.3000114.3D218 L219 L222 S240 E242 N246 Q247 H248 T253D218-L244 HydrophobicContact CB-CD2 3.88Å; L219-L244 HydrophobicContact CB-CD1 4.2Å; L219-L244 HydrophobicContact CD1-CD1 4.3Å; L222-L244 HydrophobicContact CB-CD2 4.39Å; L222-L244 HydrophobicContact CD2-CD2 4.25Å; L222-L244 HydrophobicContact CD2-CG 4Å; S240-L244 WeakPolarHBondContact O-CB 3.25Å; S240-L244 WeakPolarHBondContact O-CG 3.13Å; S240-L244 PolarHBondContact O-N 3.26Å; S240-L244 VanDerWaalsContact O-N 3.17Å; E242-L244 PolarHBondContact O-N 2.85Å; L244-N246 PolarHBondContact O-N 2.83Å; L244-N246 VanDerWaalsContact O-N 3.12Å; L244-Q247 PolarHBondContact O-N 2.79Å; L244-H248 PolarHBondContact O-N 2.61Å; L244-T253 HydrophobicContact CB-CG2 4.18Å; L244-T253 HydrophobicContact CD1-CG2 3.72Å
245A95.6Very high94.5Very high42 Ų4247.9 Ų47.935%0.34726%0.261SS..THydrogen-bonded Turntrans-63.4-22.6-171.900000114.3I241 E242 Q247 H248 P250I241-A245 PolarHBondContact O-N 3.31Å; E242-A245 VanDerWaalsContact O-CB 3.27Å; E242-A245 WeakPolarHBondContact O-CB 3.35Å; E242-A245 PolarHBondContact O-N 3.5Å; E242-A245 VanDerWaalsContact O-N 3.11Å; A245-Q247 VanDerWaalsContact C-N 3.35Å; A245-H248 WeakPolarHBondContact CA-O 3.39Å; A245-P250 HydrophobicContact CB-CG 4.19Å
246N92.9Very high94.5Very high160 Ų16047.9 Ų47.986%0.85626%0.261SS*.THydrogen-bonded Turntrans-77.8-20.1177.1-67.5-33000113.3L244L244-N246 PolarHBondContact O-N 2.83Å; L244-N246 VanDerWaalsContact O-N 3.12Å
247Q93.3Very high94.6Very high108 Ų10847.6 Ų47.651%0.50526%0.259SS..THydrogen-bonded Turntrans-111.7-29.7-174.2-59.9176.725.900111.7L244 A245L244-Q247 PolarHBondContact O-N 2.79Å; A245-Q247 VanDerWaalsContact C-N 3.35Å
248H94.6Very high94.5Very high11 Ų1147.9 Ų47.95%0.05126%0.26CS..SBendtrans-137.5148.3-175.4-52.2-52.7000110.9Y211 D218 L244 A245 T253Y211-H248 AromaticContact CE2-ND1 3.77Å; Y211-H248 AromaticContact CZ-ND1 3.89Å; Y211-H248 PolarHBondContact OH-ND1 2.89Å; D218-H248 IonicContact OD2-CE1 2.82Å; D218-H248 PolarHBondContact OD2-CE1 3.14Å; D218-H248 IonicContact OD2-NE2 2.76Å; D218-H248 PolarHBondContact OD2-NE2 3.33Å; D218-H248 VanDerWaalsContact OD2-NE2 3.09Å; L244-H248 PolarHBondContact O-N 2.61Å; A245-H248 WeakPolarHBondContact CA-O 3.39Å; H248-T253 WeakPolarHBondContact CB-OG1 3.41Å
249L92.4Very high94.4Very high64 Ų6443 Ų4334%0.33524%0.238SC..  trans-64.3130.8174.5-77.3120.6000110.6Y152 P155 N251 I252 T253Y152-L249 WeakPolarHBondContact OH-CD1 3.33Å; P155-L249 HydrophobicContact CG-CD1 4.36Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.69Å; L249-N251 VanDerWaalsContact O-N 3.12Å; L249-I252 HydrophobicContact CB-CB 4.26Å; L249-I252 HydrophobicContact CB-CD1 3.85Å; L249-I252 HydrophobicContact CB-CG1 3.9Å; L249-I252 HydrophobicContact CD1-CD1 3.65Å; L249-I252 HydrophobicContact CG-CD1 4.36Å; L249-I252 WeakPolarHBondContact O-CA 3.49Å; L249-I252 WeakPolarHBondContact O-CB 3.42Å; L249-I252 PolarHBondContact O-N 2.82Å; L249-T253 PolarHBondContact O-N 2.99Å; L249-T253 PolarHBondContact O-OG1 3.32Å
250P94.2Very high94.3Very high63 Ų6341.4 Ų41.441%0.40923%0.225SC..Hα-helixtrans-52.3-40.2-177.1-32.236.6000114.8I241 A245 K254I241-P250 HydrophobicContact CG2-CB 3.63Å; A245-P250 HydrophobicContact CB-CG 4.19Å; P250-K254 WeakPolarHBondContact O-CB 3.45Å; P250-K254 PolarHBondContact O-N 2.87Å
251N91.9Very high94.2Very high84 Ų8441.4 Ų41.445%0.44923%0.225SC..Hα-helixtrans-67.1-36.1178.4-174.838.7000112.5E199 L249 Q255E199-N251 PolarHBondContact O-ND2 3.38Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.69Å; L249-N251 VanDerWaalsContact O-N 3.12Å; N251-Q255 PolarHBondContact ND2-NE2 3.25Å; N251-Q255 WeakPolarHBondContact O-CG 3.41Å; N251-Q255 PolarHBondContact O-N 3.46Å; N251-Q255 PolarHBondContact O-NE2 2.69Å; N251-Q255 PolarHBondContact OD1-NE2 3.45Å
252I92.9Very high93.8Very high1 Ų140.4 Ų40.41%0.00522%0.22CC..Hα-helixtrans-71.8-45.8178.2-59.5-179.3000109.5Y152 I200 L207 Y211 L249 K254 Q255 I256Y152-I252 HydrophobicContact CD1-CD1 4.42Å; Y152-I252 HydrophobicContact CE1-CD1 3.58Å; Y152-I252 HydrophobicContact CE2-CD1 4.15Å; Y152-I252 VanDerWaalsContact CZ-CD1 3.42Å; Y152-I252 VanDerWaalsContact OH-CD1 3.3Å; Y152-I252 WeakPolarHBondContact OH-CD1 3.17Å; I200-I252 HydrophobicContact CD1-CD1 3.53Å; I200-I252 HydrophobicContact CD1-CG1 4.02Å; I200-I252 HydrophobicContact CG1-CD1 3.94Å; I200-I252 HydrophobicContact CG1-CG1 3.98Å; I200-I252 HydrophobicContact CG2-CD1 4.02Å; L207-I252 HydrophobicContact CD2-CG2 4.36Å; Y211-I252 HydrophobicContact CE1-CG2 3.89Å; L249-I252 HydrophobicContact CB-CB 4.26Å; L249-I252 HydrophobicContact CB-CD1 3.85Å; L249-I252 HydrophobicContact CB-CG1 3.9Å; L249-I252 HydrophobicContact CD1-CD1 3.65Å; L249-I252 HydrophobicContact CG-CD1 4.36Å; L249-I252 WeakPolarHBondContact O-CA 3.49Å; L249-I252 WeakPolarHBondContact O-CB 3.42Å; L249-I252 PolarHBondContact O-N 2.82Å; I252-K254 VanDerWaalsContact C-N 3.3Å; I252-K254 PolarHBondContact O-N 2.76Å; I252-Q255 PolarHBondContact O-N 3Å; I252-Q255 VanDerWaalsContact O-N 3.13Å; I252-I256 HydrophobicContact CG2-CD1 3.71Å; I252-I256 HydrophobicContact CG2-CG1 4.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.2Å; I252-I256 PolarHBondContact O-N 3.42Å
253T95.2Very high93.3Very high0 Ų036.9 Ų36.90%020%0.204CC..Hα-helixtrans-55.5-47.2175.4-52.80000110.8I241 L244 H248 L249 Q255 I256 M257I241-T253 HydrophobicContact CG1-CG2 4.29Å; L244-T253 HydrophobicContact CB-CG2 4.18Å; L244-T253 HydrophobicContact CD1-CG2 3.72Å; H248-T253 WeakPolarHBondContact CB-OG1 3.41Å; L249-T253 PolarHBondContact O-N 2.99Å; L249-T253 PolarHBondContact O-OG1 3.32Å; T253-Q255 PolarHBondContact O-N 3.31Å; T253-I256 PolarHBondContact O-N 3.39Å; T253-M257 HydrophobicContact CG2-CG 4.46Å; T253-M257 HydrophobicContact CG2-SD 4.21Å; T253-M257 WeakPolarHBondContact O-CB 3.25Å; T253-M257 VanDerWaalsContact O-CG 3.28Å; T253-M257 WeakPolarHBondContact O-CG 3.5Å; T253-M257 PolarHBondContact O-N 3.1Å
254K94.3Very high92.6Very high83 Ų8337 Ų3736%0.36120%0.196SC..Hα-helixtrans-56.2-50.8174.8-175.1-177.1177.4-175.60111.6I241 P250 I252 M257 M258I241-K254 HydrophobicContact CD1-CB 3.75Å; I241-K254 HydrophobicContact CD1-CG 4.03Å; I241-K254 HydrophobicContact CG1-CB 4.35Å; P250-K254 WeakPolarHBondContact O-CB 3.45Å; P250-K254 PolarHBondContact O-N 2.87Å; I252-K254 VanDerWaalsContact C-N 3.3Å; I252-K254 PolarHBondContact O-N 2.76Å; K254-M257 PolarHBondContact O-N 3.11Å; K254-M258 WeakPolarHBondContact O-CG 3.22Å; K254-M258 PolarHBondContact O-N 2.87Å
255Q93.2Very high91.1Very high11 Ų1139.6 Ų39.65%0.05122%0.223CC..Hα-helixtrans-64-42.9-178.8-74178.272.500112.3C198 E199 N251 I252 T253 M258 L259 F423C198-Q255 HydrophobicContact CB-CB 4.49Å; C198-Q255 PolarHBondContact SG-OE1 3.22Å; C198-Q255 VanDerWaalsContact SG-OE1 3.38Å; E199-Q255 PolarHBondContact O-NE2 3.39Å; N251-Q255 PolarHBondContact ND2-NE2 3.25Å; N251-Q255 WeakPolarHBondContact O-CG 3.41Å; N251-Q255 PolarHBondContact O-N 3.46Å; N251-Q255 PolarHBondContact O-NE2 2.69Å; N251-Q255 PolarHBondContact OD1-NE2 3.45Å; I252-Q255 PolarHBondContact O-N 3Å; I252-Q255 VanDerWaalsContact O-N 3.13Å; T253-Q255 PolarHBondContact O-N 3.31Å; Q255-M258 PolarHBondContact O-N 2.67Å; Q255-M258 VanDerWaalsContact O-N 3.12Å; Q255-L259 WeakPolarHBondContact O-CG 3.3Å; Q255-L259 PolarHBondContact O-N 3.41Å; Q255-F423 HydrophobicContact CG-CG 4.46Å
256I94.8Very high89.5Confident1 Ų145.3 Ų45.31%0.00525%0.248CC..Hα-helixtrans-62.8-46.5175.7-69.4173.8000110.6L207 Y211 M212 V215 I252 T253 M258 L259 I260L207-I256 HydrophobicContact CD1-CD1 3.86Å; L207-I256 HydrophobicContact CD1-CG1 3.48Å; L207-I256 VanDerWaalsContact CD1-CG1 3.48Å; Y211-I256 HydrophobicContact CD1-CD1 4.3Å; Y211-I256 HydrophobicContact CE1-CD1 3.79Å; M212-I256 HydrophobicContact CG-CD1 4.38Å; V215-I256 HydrophobicContact CB-CD1 4.09Å; V215-I256 HydrophobicContact CB-CG2 4.37Å; V215-I256 HydrophobicContact CG1-CB 4.32Å; V215-I256 HydrophobicContact CG1-CD1 4.06Å; V215-I256 HydrophobicContact CG1-CG2 3.86Å; V215-I256 HydrophobicContact CG2-CD1 3.77Å; I252-I256 HydrophobicContact CG2-CD1 3.71Å; I252-I256 HydrophobicContact CG2-CG1 4.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.2Å; I252-I256 PolarHBondContact O-N 3.42Å; T253-I256 PolarHBondContact O-N 3.39Å; I256-M258 PolarHBondContact O-N 3.43Å; I256-L259 CarbonylContact O-C 3.57Å; I256-L259 WeakPolarHBondContact O-CA 3.42Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 2.94Å; I256-I260 HydrophobicContact CG2-CD1 4.23Å; I256-I260 HydrophobicContact CG2-CG2 4.49Å; I256-I260 WeakPolarHBondContact O-CG1 3.42Å; I256-I260 PolarHBondContact O-N 3.48Å
257M95Very high88.1Confident1 Ų142.7 Ų42.71%0.00523%0.226CC..Hα-helixtrans-56.9-35.8174.6-73.7-175.479.600111.2L219 F235 L237 I241 T253 K254 L259 I260 C261 V277L219-M257 HydrophobicContact CD1-CE 4.07Å; L219-M257 HydrophobicContact CD1-SD 4.38Å; L219-M257 HydrophobicContact CD2-CE 4.29Å; L219-M257 HydrophobicContact CD2-CG 4.33Å; F235-M257 HydrophobicContact CB-CE 4.08Å; L237-M257 HydrophobicContact CD1-CB 4.18Å; L237-M257 HydrophobicContact CD1-CE 3.89Å; L237-M257 HydrophobicContact CD1-SD 3.8Å; I241-M257 HydrophobicContact CG1-SD 4.46Å; T253-M257 HydrophobicContact CG2-CG 4.46Å; T253-M257 HydrophobicContact CG2-SD 4.21Å; T253-M257 WeakPolarHBondContact O-CB 3.25Å; T253-M257 VanDerWaalsContact O-CG 3.28Å; T253-M257 WeakPolarHBondContact O-CG 3.5Å; T253-M257 PolarHBondContact O-N 3.1Å; K254-M257 PolarHBondContact O-N 3.11Å; M257-L259 VanDerWaalsContact C-N 3.32Å; M257-L259 PolarHBondContact O-N 3.02Å; M257-I260 PolarHBondContact O-N 2.88Å; M257-C261 WeakPolarHBondContact O-CA 3.43Å; M257-C261 WeakPolarHBondContact O-CB 3.41Å; M257-C261 PolarHBondContact O-N 3.12Å; M257-V277 HydrophobicContact CE-CG2 3.73Å
258M91.3Very high86.4Confident28 Ų2846 Ų4614%0.13824%0.239CC..Hα-helixtrans-71.8-23.6173.9-65.9-44.5-37.600114.8K254 Q255 I256 R280 V426K254-M258 WeakPolarHBondContact O-CG 3.22Å; K254-M258 PolarHBondContact O-N 2.87Å; Q255-M258 PolarHBondContact O-N 2.67Å; Q255-M258 VanDerWaalsContact O-N 3.12Å; I256-M258 PolarHBondContact O-N 3.43Å; M258-R280 PolarHBondContact O-NH2 3.06Å; M258-V426 HydrophobicContact CE-CB 3.74Å; M258-V426 HydrophobicContact CE-CG1 3.58Å; M258-V426 HydrophobicContact CE-CG2 3.56Å; M258-V426 HydrophobicContact SD-CG2 4.07Å
259L91.3Very high84.6Confident21 Ų2146.7 Ų46.711%0.1125%0.246CC..Hα-helixtrans-78.8-31.6172.5-67.1173.8000112.7R193 H196 L207 Q255 I256 M257 R280R193-L259 HydrophobicContact CB-CD2 4.44Å; R193-L259 HydrophobicContact CG-CD2 3.53Å; H196-L259 HydrophobicContact CB-CD1 4.24Å; L207-L259 HydrophobicContact CD1-CD1 4.27Å; Q255-L259 WeakPolarHBondContact O-CG 3.3Å; Q255-L259 PolarHBondContact O-N 3.41Å; I256-L259 CarbonylContact O-C 3.57Å; I256-L259 WeakPolarHBondContact O-CA 3.42Å; I256-L259 WeakPolarHBondContact O-CB 3.46Å; I256-L259 PolarHBondContact O-N 2.94Å; M257-L259 VanDerWaalsContact C-N 3.32Å; M257-L259 PolarHBondContact O-N 3.02Å; L259-R280 VanDerWaalsContact C-NH2 3.3Å; L259-R280 PolarHBondContact O-NH2 3.32Å
260I93.4Very high83Confident2 Ų251.1 Ų51.11%0.0127%0.27CS..Hα-helixtrans-107.2-19.5-173.868.6176.3000114.1V216 L219 I256 M257 R280 I284 I287V216-I260 HydrophobicContact CG2-CD1 3.64Å; L219-I260 HydrophobicContact CD2-CD1 4.22Å; I256-I260 HydrophobicContact CG2-CD1 4.23Å; I256-I260 HydrophobicContact CG2-CG2 4.49Å; I256-I260 WeakPolarHBondContact O-CG1 3.42Å; I256-I260 PolarHBondContact O-N 3.48Å; M257-I260 PolarHBondContact O-N 2.88Å; I260-R280 VanDerWaalsContact O-CB 3.26Å; I260-R280 WeakPolarHBondContact O-CB 3.38Å; I260-R280 PolarHBondContact O-N 3.22Å; I260-I284 HydrophobicContact CB-CD1 4.48Å; I260-I284 HydrophobicContact CB-CG1 3.86Å; I260-I284 HydrophobicContact CD1-CG1 4.42Å; I260-I284 HydrophobicContact CG2-CG1 4.41Å; I260-I287 HydrophobicContact CG2-CD1 3.47Å; I260-I287 VanDerWaalsContact CG2-CD1 3.47Å
261C94Very high81.6Confident0 Ų055.9 Ų55.90%029%0.292CS..EExtended strand (participates in β ladder)trans-114.7167.1-179.6-59.10000112.4M257 V277 Y278M257-C261 WeakPolarHBondContact O-CA 3.43Å; M257-C261 WeakPolarHBondContact O-CB 3.41Å; M257-C261 PolarHBondContact O-N 3.12Å; C261-V277 HydrophobicContact CB-CB 3.74Å; C261-V277 HydrophobicContact CB-CG2 3.73Å; C261-Y278 CarbonylContact C-O 3.55Å; C261-Y278 WeakPolarHBondContact CA-O 3.44Å; C261-Y278 VanDerWaalsContact CB-O 3.29Å; C261-Y278 WeakPolarHBondContact CB-O 3.27Å
262S90.4Very high80.5Confident1 Ų154.3 Ų54.31%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-141.7148.2173.9175.60000110Y278 S427 A429S262-Y278 PolarHBondContact N-O 2.98Å; S262-Y278 PolarHBondContact O-N 3.46Å; S262-S427 PolarHBondContact OG-O 3.33Å; S262-A429 PolarHBondContact OG-N 3.45Å
263Q85.8Confident80Confident57 Ų5764.6 Ų64.627%0.26633%0.332SS..  trans-73.8142.9164.9-73.2175.423.600109.8V275 V277 V426Q263-V275 HydrophobicContact CG-CG1 4.23Å; Q263-V277 HydrophobicContact CG-CG1 4Å; Q263-V426 HydrophobicContact CB-CG1 3.81Å; Q263-V426 HydrophobicContact CG-CG1 3.67Å
264L80.3Confident79.7Confident36 Ų3666.3 Ų66.319%0.18834%0.341CS..  trans-107.8119.9164.5-79.9104.7000108.8N266 R267 Y278 F435L264-N266 PolarHBondContact O-N 3.4Å; L264-R267 PolarHBondContact O-N 2.86Å; L264-Y278 HydrophobicContact CB-CD2 4.16Å; L264-Y278 HydrophobicContact CB-CE2 4.22Å; L264-Y278 VanDerWaalsContact CD1-CB 3.42Å; L264-Y278 HydrophobicContact CD1-CD1 3.98Å; L264-Y278 HydrophobicContact CD1-CD2 3.28Å; L264-Y278 HydrophobicContact CD1-CE2 4.03Å; L264-Y278 HydrophobicContact CD1-CG 3.26Å; L264-Y278 HydrophobicContact CG-CD2 4.34Å; L264-F435 HydrophobicContact CD1-CD1 3.78Å; L264-F435 HydrophobicContact CD1-CD2 4.05Å; L264-F435 HydrophobicContact CD1-CE1 3.72Å; L264-F435 HydrophobicContact CD1-CE2 3.98Å; L264-F435 HydrophobicContact CD1-CG 3.91Å; L264-F435 HydrophobicContact CD1-CZ 3.8Å; L264-F435 HydrophobicContact CD2-CD2 3.87Å; L264-F435 HydrophobicContact CD2-CE2 4.08Å; L264-F435 HydrophobicContact CD2-CG 4.29Å; L264-F435 HydrophobicContact CG-CD2 4.28Å; L264-F435 HydrophobicContact CG-CE2 4.08Å; L264-F435 HydrophobicContact CG-CZ 4.25Å
265G67Low79.4Confident57 Ų5765.4 Ų65.459%0.58834%0.343SS*.THydrogen-bonded Turntrans-56.8-20.9-176.400000114.7
266N61.7Low79.2Confident163 Ų16367.5 Ų67.587%0.87235%0.35SS*.THydrogen-bonded Turntrans-105.23.5-171.8-57.6-12000114L264L264-N266 PolarHBondContact O-N 3.4Å
267R63.7Low79.1Confident105 Ų10567.4 Ų67.440%0.39635%0.35SS..  trans-133.172.4-177.2-57-173.2-178.9-177.13.1111.3L264 Y278L264-R267 PolarHBondContact O-N 2.86Å; R267-Y278 HydrophobicContact CB-CE1 4.49Å; R267-Y278 HydrophobicContact CB-CE2 4.06Å; R267-Y278 WeakPolarHBondContact CB-OH 3.5Å; R267-Y278 PolarHBondContact O-OH 2.89Å
268K57.1Low79.1Confident176 Ų17667.5 Ų67.577%0.76535%0.35SS*.PPolyproline II helixtrans-92.9130.7166.9-65.8-174.7178.5-175.20108.2L270K268-L270 PolarHBondContact O-N 3.25Å
269A57.9Low79.2Confident26 Ų2666.1 Ų66.122%0.21534%0.344CS..PPolyproline II helixtrans-58.7126.2164.900000107.9D271 Y276A269-D271 PolarHBondContact O-N 3.17Å; A269-Y276 HydrophobicContact CB-CD2 4.2Å; A269-Y276 HydrophobicContact CB-CE1 4.46Å; A269-Y276 HydrophobicContact CB-CE2 3.86Å
270L57.9Low79.3Confident158 Ų15865.9 Ų65.983%0.82734%0.341SS*.THydrogen-bonded Turntrans-57.9133.2174.2-124.880.4000107.9K268 S272K268-L270 PolarHBondContact O-N 3.25Å; L270-S272 PolarHBondContact O-N 2.89Å
271D63.8Low79.3Confident162 Ų16265.9 Ų65.987%0.86634%0.341SS*.THydrogen-bonded Turntrans69.915.1170.1-55-29.4000118.9A269A269-D271 PolarHBondContact O-N 3.17Å
272S69.7Low79.2Confident52 Ų5267 Ų6736%0.36435%0.349SS..  trans-96.4136.2173.1-169.90000112.8L270 D274 Y276L270-S272 PolarHBondContact O-N 2.89Å; S272-D274 PolarHBondContact OG-N 3.21Å; S272-Y276 WeakPolarHBondContact OG-CE2 3.48Å; S272-Y276 PolarHBondContact OG-OH 3.09Å
273K83.3Confident79.4Confident217 Ų21770.5 Ų70.594%0.94336%0.364SS*.SBendtrans-74.4-13.6171.6-73.2-175178.7179.40113.2
274D87.4Confident79.8Confident36 Ų3667.8 Ų67.819%0.19335%0.351CS..SBendtrans-85.5155-178.6-151.2-17.9000111.5P236 L237 H238 A239 S272 Y276P236-D274 HydrophobicContact CB-CB 4.33Å; P236-D274 WeakPolarHBondContact CB-OD2 3.32Å; L237-D274 PolarHBondContact N-OD1 3.07Å; H238-D274 WeakPolarHBondContact CB-OD1 3.47Å; H238-D274 WeakPolarHBondContact CB-OD2 3.46Å; H238-D274 PolarHBondContact N-OD1 2.86Å; H238-D274 PolarHBondContact N-OD2 2.94Å; H238-D274 VanDerWaalsContact N-OD2 3.1Å; A239-D274 PolarHBondContact N-OD2 3.48Å; S272-D274 PolarHBondContact OG-N 3.21Å; D274-Y276 HydrophobicContact CB-CE2 4.24Å; D274-Y276 WeakPolarHBondContact O-CD2 3.5Å
275V88.2Confident80.5Confident64 Ų6466.1 Ų66.139%0.38834%0.342SS..PPolyproline II helixtrans-90.3125.2174.4174.80000108.4L237 Q263 V277L237-V275 HydrophobicContact CB-CB 4.33Å; L237-V275 WeakPolarHBondContact CB-O 3.48Å; L237-V275 HydrophobicContact CD2-CB 4.43Å; L237-V275 HydrophobicContact CD2-CG1 4.43Å; L237-V275 PolarHBondContact N-O 3.1Å; Q263-V275 HydrophobicContact CG-CG1 4.23Å; V275-V277 HydrophobicContact CG1-CG1 4.46Å
276Y90.3Very high81.9Confident54 Ų5463.9 Ų63.921%0.21232%0.317CS..EExtended strand (participates in β ladder)trans-96.7132.9179.5-72.1-101.4000111.5Y233 F235 P236 A269 S272 D274Y233-Y276 WeakPolarHBondContact O-CB 3.34Å; Y233-Y276 WeakPolarHBondContact O-CD1 3.47Å; F235-Y276 WeakPolarHBondContact O-CA 3.33Å; P236-Y276 HydrophobicContact CB-CD1 4.44Å; P236-Y276 HydrophobicContact CB-CE1 3.91Å; P236-Y276 HydrophobicContact CG-CE1 4.48Å; A269-Y276 HydrophobicContact CB-CD2 4.2Å; A269-Y276 HydrophobicContact CB-CE1 4.46Å; A269-Y276 HydrophobicContact CB-CE2 3.86Å; S272-Y276 WeakPolarHBondContact OG-CE2 3.48Å; S272-Y276 PolarHBondContact OG-OH 3.09Å; D274-Y276 HydrophobicContact CB-CE2 4.24Å; D274-Y276 WeakPolarHBondContact O-CD2 3.5Å
277V92.3Very high83.5Confident0 Ų056.3 Ų56.30%028%0.276CS..EExtended strand (participates in β ladder)trans-125142178.7-61.10000110.5G234 F235 L237 M257 C261 Q263 V275G234-V277 CarbonylContact C-O 3.57Å; G234-V277 WeakPolarHBondContact CA-O 3.36Å; F235-V277 HydrophobicContact CB-CG2 4.29Å; F235-V277 PolarHBondContact N-O 2.64Å; F235-V277 PolarHBondContact O-N 3.18Å; L237-V277 HydrophobicContact CD1-CG2 4.47Å; M257-V277 HydrophobicContact CE-CG2 3.73Å; C261-V277 HydrophobicContact CB-CB 3.74Å; C261-V277 HydrophobicContact CB-CG2 3.73Å; Q263-V277 HydrophobicContact CG-CG1 4Å; V275-V277 HydrophobicContact CG1-CG1 4.46Å
278Y93.6Very high85.1Confident2 Ų251.4 Ų51.41%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-107.6133.4-174.2-68.2-98.1000110.1K232 Y233 G234 C261 S262 L264 R267 R280K232-Y278 PolarHBondContact O-OH 3.21Å; Y233-Y278 VanDerWaalsContact C-CZ 3.48Å; Y233-Y278 PolarHBondContact O-OH 3.28Å; G234-Y278 VanDerWaalsContact N-CE1 3.29Å; C261-Y278 CarbonylContact C-O 3.55Å; C261-Y278 WeakPolarHBondContact CA-O 3.44Å; C261-Y278 VanDerWaalsContact CB-O 3.29Å; C261-Y278 WeakPolarHBondContact CB-O 3.27Å; S262-Y278 PolarHBondContact N-O 2.98Å; S262-Y278 PolarHBondContact O-N 3.46Å; L264-Y278 HydrophobicContact CB-CD2 4.16Å; L264-Y278 HydrophobicContact CB-CE2 4.22Å; L264-Y278 VanDerWaalsContact CD1-CB 3.42Å; L264-Y278 HydrophobicContact CD1-CD1 3.98Å; L264-Y278 HydrophobicContact CD1-CD2 3.28Å; L264-Y278 HydrophobicContact CD1-CE2 4.03Å; L264-Y278 HydrophobicContact CD1-CG 3.26Å; L264-Y278 HydrophobicContact CG-CD2 4.34Å; R267-Y278 HydrophobicContact CB-CE1 4.49Å; R267-Y278 HydrophobicContact CB-CE2 4.06Å; R267-Y278 WeakPolarHBondContact CB-OH 3.5Å; R267-Y278 PolarHBondContact O-OH 2.89Å; Y278-R280 PolarHBondContact O-N 3.36Å
279P94.4Very high86.9Confident0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-63.2131.9179.225.1-31.7000110.8F220 W230 F235 I284 Y437F220-P279 HydrophobicContact CZ-CB 4.09Å; F220-P279 HydrophobicContact CZ-CG 4.33Å; W230-P279 HydrophobicContact CD2-CG 4.32Å; W230-P279 HydrophobicContact CE3-CG 3.35Å; W230-P279 HydrophobicContact CZ3-CG 3.5Å; F235-P279 HydrophobicContact CD2-CG 4.4Å; F235-P279 HydrophobicContact CE2-CB 3.97Å; F235-P279 HydrophobicContact CE2-CG 3.71Å; P279-I284 HydrophobicContact CB-CD1 3.44Å; P279-I284 VanDerWaalsContact CB-CD1 3.44Å; P279-Y437 WeakPolarHBondContact CD-OH 3.23Å; P279-Y437 HydrophobicContact CG-CE1 4.09Å; P279-Y437 PolarHBondContact O-OH 3.25Å
280R93.4Very high88.7Confident16 Ų1641.8 Ų41.86%0.0621%0.211CC..  trans-87.3114.2173.8-64.1-173.2-72.3-159-8.9109.2M258 L259 I260 Y278 S282 K283 I284 S427 F435M258-R280 PolarHBondContact O-NH2 3.06Å; L259-R280 VanDerWaalsContact C-NH2 3.3Å; L259-R280 PolarHBondContact O-NH2 3.32Å; I260-R280 VanDerWaalsContact O-CB 3.26Å; I260-R280 WeakPolarHBondContact O-CB 3.38Å; I260-R280 PolarHBondContact O-N 3.22Å; Y278-R280 PolarHBondContact O-N 3.36Å; R280-S282 VanDerWaalsContact C-N 3.29Å; R280-S282 PolarHBondContact O-N 3.38Å; R280-K283 HydrophobicContact CB-CB 4.16Å; R280-K283 HydrophobicContact CB-CG 4Å; R280-K283 PolarHBondContact O-N 2.48Å; R280-I284 PolarHBondContact O-N 3.48Å; R280-I284 VanDerWaalsContact O-N 3.09Å; R280-S427 PolarHBondContact NH1-OG 2.9Å; R280-F435 HydrophobicContact CG-CE1 3.98Å; R280-F435 HydrophobicContact CG-CZ 4.36Å
281N93.2Very high90.5Very high2 Ų235.5 Ų35.51%0.01118%0.178CC..Hα-helixtrans-53.2-46.3178.6-174.560.1000112.1K283 C285 L316 R317 H323 D434N281-K283 PolarHBondContact O-N 2.9Å; N281-C285 VanDerWaalsContact O-CB 3.25Å; N281-C285 WeakPolarHBondContact O-CB 3.47Å; N281-C285 PolarHBondContact O-N 2.87Å; N281-C285 PolarHBondContact O-SG 2.99Å; N281-C285 PolarHBondContact OD1-SG 3.08Å; N281-L316 HydrophobicContact CB-CD2 4.38Å; N281-L316 WeakPolarHBondContact OD1-CA 3.24Å; N281-L316 WeakPolarHBondContact OD1-CB 3.35Å; N281-R317 PolarHBondContact ND2-O 3.11Å; N281-R317 PolarHBondContact OD1-N 3.21Å; N281-R317 PolarHBondContact OD1-O 2.79Å; N281-H323 PolarHBondContact ND2-CE1 3.25Å; N281-H323 VanDerWaalsContact ND2-CE1 3.35Å; N281-D434 VanDerWaalsContact CB-O 3.22Å; N281-D434 WeakPolarHBondContact CB-O 3.33Å; N281-D434 PolarHBondContact N-O 2.84Å; N281-D434 VanDerWaalsContact N-O 3.07Å
282S92Very high92Very high22 Ų2228.8 Ų28.815%0.15414%0.142CC..Hα-helixtrans-56.6-51178.662.90000113R280 Q286 D434R280-S282 VanDerWaalsContact C-N 3.29Å; R280-S282 PolarHBondContact O-N 3.38Å; S282-Q286 WeakPolarHBondContact O-CB 3.48Å; S282-Q286 PolarHBondContact O-N 3.44Å; S282-D434 WeakPolarHBondContact CB-OD1 3.41Å; S282-D434 PolarHBondContact N-OD1 3.1Å; S282-D434 PolarHBondContact OG-OD1 2.91Å; S282-D434 VanDerWaalsContact OG-OD1 3.13Å; S282-D434 PolarHBondContact OG-OD2 3.35Å
283K93.6Very high93.2Very high76 Ų7626.5 Ų26.533%0.3313%0.125SC..Hα-helixtrans-68-45.4-174.3-60.9-55.8-177.9-177.90112.2R280 N281 Q286 I287R280-K283 HydrophobicContact CB-CB 4.16Å; R280-K283 HydrophobicContact CB-CG 4Å; R280-K283 PolarHBondContact O-N 2.48Å; N281-K283 PolarHBondContact O-N 2.9Å; K283-Q286 PolarHBondContact O-N 3.36Å; K283-I287 WeakPolarHBondContact O-CG1 3.24Å; K283-I287 PolarHBondContact O-N 3.33Å
284I95.5Very high93.6Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-66.3-51.3-179.7-66.4170.1000110.3V216 F220 I260 P279 R280 Q286 I287 V288 P313 L316V216-I284 HydrophobicContact CG1-CG2 3.78Å; F220-I284 HydrophobicContact CE2-CD1 4.03Å; F220-I284 HydrophobicContact CZ-CD1 4.12Å; I260-I284 HydrophobicContact CB-CD1 4.48Å; I260-I284 HydrophobicContact CB-CG1 3.86Å; I260-I284 HydrophobicContact CD1-CG1 4.42Å; I260-I284 HydrophobicContact CG2-CG1 4.41Å; P279-I284 HydrophobicContact CB-CD1 3.44Å; P279-I284 VanDerWaalsContact CB-CD1 3.44Å; R280-I284 PolarHBondContact O-N 3.48Å; R280-I284 VanDerWaalsContact O-N 3.09Å; I284-Q286 PolarHBondContact O-N 3.15Å; I284-I287 PolarHBondContact O-N 3.37Å; I284-V288 HydrophobicContact CG2-CG2 4.44Å; I284-V288 WeakPolarHBondContact O-CG2 3.47Å; I284-V288 PolarHBondContact O-N 2.98Å; I284-P313 HydrophobicContact CG2-CG 4.44Å; I284-L316 HydrophobicContact CB-CD1 3.86Å; I284-L316 HydrophobicContact CD1-CD1 3.77Å; I284-L316 HydrophobicContact CG1-CD1 4.43Å; I284-L316 HydrophobicContact CG2-CD1 3.52Å
285C95.4Very high93.6Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-60.1-38.3179.2-67.20000111.7N281 G289 W308 V312 P318 H323N281-C285 VanDerWaalsContact O-CB 3.25Å; N281-C285 WeakPolarHBondContact O-CB 3.47Å; N281-C285 PolarHBondContact O-N 2.87Å; N281-C285 PolarHBondContact O-SG 2.99Å; N281-C285 PolarHBondContact OD1-SG 3.08Å; C285-G289 PolarHBondContact O-N 2.93Å; C285-W308 HydrophobicContact CB-CZ2 4.02Å; C285-W308 VanDerWaalsContact O-CZ2 3.27Å; C285-W308 WeakPolarHBondContact O-CZ2 3.48Å; C285-W308 PolarHBondContact O-NE1 3.46Å; C285-V312 HydrophobicContact CB-CG1 4.34Å; C285-P318 HydrophobicContact CB-CB 4.12Å; C285-H323 VanDerWaalsContact CB-ND1 3.32Å; C285-H323 WeakPolarHBondContact CB-ND1 3.43Å
286Q95.1Very high93.3Very high11 Ų1122.3 Ų22.35%0.05112%0.118CC..Hα-helixtrans-62.7-48.6176.3-177.4-166.8-37.800111.8S282 K283 I284 V288 G289 E290 H323 L324 R329S282-Q286 WeakPolarHBondContact O-CB 3.48Å; S282-Q286 PolarHBondContact O-N 3.44Å; K283-Q286 PolarHBondContact O-N 3.36Å; I284-Q286 PolarHBondContact O-N 3.15Å; Q286-V288 PolarHBondContact O-N 3.19Å; Q286-G289 PolarHBondContact O-N 2.9Å; Q286-E290 HydrophobicContact CG-CG 4.43Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.32Å; Q286-E290 PolarHBondContact NE2-OE1 3.36Å; Q286-E290 WeakPolarHBondContact O-CB 3.45Å; Q286-E290 WeakPolarHBondContact O-CG 3.4Å; Q286-E290 PolarHBondContact O-N 3.46Å; Q286-H323 HydrophobicContact CB-CB 4.44Å; Q286-H323 WeakPolarHBondContact CG-O 3.32Å; Q286-L324 HydrophobicContact CG-CD2 4.49Å; Q286-R329 HydrophobicContact CG-CG 4.16Å
287I95.7Very high92.7Very high3 Ų325 Ų252%0.01515%0.145CC..Hα-helixtrans-58.2-48.5178.7-72.3165.9000110.8M212 I260 K283 I284 G289 E290 H291M212-I287 HydrophobicContact CB-CG2 3.8Å; M212-I287 HydrophobicContact SD-CD1 4.35Å; I260-I287 HydrophobicContact CG2-CD1 3.47Å; I260-I287 VanDerWaalsContact CG2-CD1 3.47Å; K283-I287 WeakPolarHBondContact O-CG1 3.24Å; K283-I287 PolarHBondContact O-N 3.33Å; I284-I287 PolarHBondContact O-N 3.37Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 3.19Å; I287-E290 PolarHBondContact O-N 2.98Å; I287-H291 WeakPolarHBondContact O-CB 3.48Å; I287-H291 PolarHBondContact O-N 3.43Å
288V96.4Very high92.4Very high3 Ų327.6 Ų27.62%0.01816%0.163CC..Hα-helixtrans-61.8-43.4178.5178.60000110.8T213 I284 Q286 H291 L292 V312T213-V288 HydrophobicContact CG2-CG2 4.19Å; I284-V288 HydrophobicContact CG2-CG2 4.44Å; I284-V288 WeakPolarHBondContact O-CG2 3.47Å; I284-V288 PolarHBondContact O-N 2.98Å; Q286-V288 PolarHBondContact O-N 3.19Å; V288-H291 PolarHBondContact O-N 3.31Å; V288-L292 HydrophobicContact CG1-CD1 4.32Å; V288-L292 WeakPolarHBondContact O-CG 3.22Å; V288-L292 PolarHBondContact O-N 3.26Å; V288-V312 HydrophobicContact CB-CG1 4.01Å; V288-V312 HydrophobicContact CG1-CG1 3.96Å; V288-V312 HydrophobicContact CG2-CG1 4.24Å
289G95.7Very high92.1Very high0 Ų028.9 Ų28.90%017%0.169CC..Hα-helixtrans-65-42.8179.200000112.7C285 Q286 I287 L292 L293C285-G289 PolarHBondContact O-N 2.93Å; Q286-G289 PolarHBondContact O-N 2.9Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 3.19Å; G289-L292 PolarHBondContact O-N 2.98Å; G289-L293 VanDerWaalsContact O-CG 3.31Å; G289-L293 WeakPolarHBondContact O-CG 3.37Å; G289-L293 PolarHBondContact O-N 3.37Å
290E95.5Very high92Very high0 Ų032.2 Ų32.20%019%0.187CC..Hα-helixtrans-65.1-38.2175.5-72.9-170.1-120.800112H209 Q286 I287 S294 L324 R329 L360 R362H209-E290 IonicContact CD2-OE2 2.69Å; H209-E290 IonicContact NE2-OE2 2.89Å; H209-E290 PolarHBondContact NE2-OE2 3.02Å; Q286-E290 HydrophobicContact CG-CG 4.43Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.32Å; Q286-E290 PolarHBondContact NE2-OE1 3.36Å; Q286-E290 WeakPolarHBondContact O-CB 3.45Å; Q286-E290 WeakPolarHBondContact O-CG 3.4Å; Q286-E290 PolarHBondContact O-N 3.46Å; I287-E290 PolarHBondContact O-N 2.98Å; E290-S294 WeakPolarHBondContact O-CB 3.35Å; E290-S294 PolarHBondContact O-N 3.13Å; E290-L324 HydrophobicContact CG-CD2 4.3Å; E290-R329 HydrophobicContact CG-CB 4.14Å; E290-R329 WeakPolarHBondContact OE1-CD 3.36Å; E290-R329 IonicContact OE1-CZ 3.01Å; E290-R329 IonicContact OE1-NE 2.83Å; E290-R329 PolarHBondContact OE1-NE 3.05Å; E290-R329 IonicContact OE1-NH2 3.34Å; E290-R329 IonicContact OE2-NE 3.82Å; E290-L360 HydrophobicContact CB-CD1 4.21Å; E290-L360 HydrophobicContact CG-CD1 4.14Å; E290-R362 WeakPolarHBondContact OE2-CD 3.4Å; E290-R362 IonicContact OE2-CZ 3.69Å; E290-R362 IonicContact OE2-NE 3.43Å; E290-R362 PolarHBondContact OE2-NE 3Å; E290-R362 IonicContact OE2-NH2 2.95Å
291H95.3Very high91.8Very high26 Ų2631.8 Ų31.812%0.1219%0.186CC..Hα-helixtrans-60.7-52.5173.2170.662000110.9H209 E210 I287 V288 L293 S294 V295H209-H291 HydrophobicContact CB-CB 4.08Å; E210-H291 WeakPolarHBondContact CA-ND1 3.34Å; E210-H291 WeakPolarHBondContact CB-ND1 3.12Å; E210-H291 IonicContact OE1-CE1 3.89Å; E210-H291 IonicContact OE1-NE2 3.87Å; E210-H291 IonicContact OE2-CD2 2.86Å; E210-H291 PolarHBondContact OE2-CD2 2.83Å; E210-H291 IonicContact OE2-CE1 3.15Å; E210-H291 PolarHBondContact OE2-CE1 2.86Å; E210-H291 IonicContact OE2-CG 3.84Å; E210-H291 IonicContact OE2-ND1 3.08Å; E210-H291 PolarHBondContact OE2-ND1 3.46Å; E210-H291 IonicContact OE2-NE2 3.82Å; E210-H291 PolarHBondContact OE2-NE2 3.38Å; I287-H291 WeakPolarHBondContact O-CB 3.48Å; I287-H291 PolarHBondContact O-N 3.43Å; V288-H291 PolarHBondContact O-N 3.31Å; H291-L293 VanDerWaalsContact C-N 3.3Å; H291-L293 PolarHBondContact O-N 2.83Å; H291-S294 WeakPolarHBondContact O-CB 3.47Å; H291-S294 PolarHBondContact O-N 2.91Å; H291-S294 PolarHBondContact O-OG 3.03Å; H291-V295 PolarHBondContact O-N 2.92Å
292L95.3Very high91.7Very high21 Ų2137 Ų3711%0.1121%0.213CC..Hα-helixtrans-57.1-42179.4-70.3176.4000112.7V288 G289 S294 F304 L307 W308V288-L292 HydrophobicContact CG1-CD1 4.32Å; V288-L292 WeakPolarHBondContact O-CG 3.22Å; V288-L292 PolarHBondContact O-N 3.26Å; G289-L292 PolarHBondContact O-N 2.98Å; L292-S294 VanDerWaalsContact C-N 3.29Å; L292-S294 PolarHBondContact O-N 3.12Å; L292-F304 HydrophobicContact CB-CE2 4.01Å; L292-F304 HydrophobicContact CD1-CE2 4.4Å; L292-L307 HydrophobicContact CD1-CG 4.21Å; L292-L307 HydrophobicContact CD2-CD2 4.01Å; L292-L307 HydrophobicContact CD2-CG 4.19Å; L292-W308 HydrophobicContact CD1-CB 3.93Å; L292-W308 HydrophobicContact CD1-CG 4.28Å
293L94.8Very high91.7Very high3 Ų340.7 Ų40.72%0.01623%0.232CC..Hα-helixtrans-75.6-14.5176.9-64.3173.5000113.4G289 H291 F299 F304 L324 A330 I358 L360G289-L293 VanDerWaalsContact O-CG 3.31Å; G289-L293 WeakPolarHBondContact O-CG 3.37Å; G289-L293 PolarHBondContact O-N 3.37Å; H291-L293 VanDerWaalsContact C-N 3.3Å; H291-L293 PolarHBondContact O-N 2.83Å; L293-F299 HydrophobicContact CD2-CB 4.38Å; L293-F304 HydrophobicContact CD1-CE2 4.24Å; L293-F304 HydrophobicContact CD1-CZ 4.08Å; L293-F304 HydrophobicContact CD2-CD2 3.65Å; L293-F304 HydrophobicContact CD2-CE2 3.52Å; L293-F304 HydrophobicContact CD2-CG 4.32Å; L293-F304 HydrophobicContact CD2-CZ 4.08Å; L293-F304 HydrophobicContact CG-CD2 4.22Å; L293-F304 HydrophobicContact CG-CE2 3.56Å; L293-F304 HydrophobicContact CG-CZ 3.92Å; L293-L324 HydrophobicContact CD1-CD1 4.28Å; L293-A330 HydrophobicContact CD1-CB 3.71Å; L293-I358 HydrophobicContact CD1-CD1 4.02Å; L293-I358 HydrophobicContact CD1-CG1 4.15Å; L293-I358 HydrophobicContact CD2-CD1 4.46Å; L293-I358 HydrophobicContact CD2-CG1 4.18Å; L293-I358 HydrophobicContact CD2-CG2 3.81Å; L293-L360 HydrophobicContact CB-CB 3.87Å; L293-L360 HydrophobicContact CB-CD1 4.22Å
294S92Very high91.7Very high58 Ų5837.1 Ų37.141%0.40622%0.216SC..Hα-helixtrans-76.8-25.6175.876.60000112.7E290 H291 L292E290-S294 WeakPolarHBondContact O-CB 3.35Å; E290-S294 PolarHBondContact O-N 3.13Å; H291-S294 WeakPolarHBondContact O-CB 3.47Å; H291-S294 PolarHBondContact O-N 2.91Å; H291-S294 PolarHBondContact O-OG 3.03Å; L292-S294 VanDerWaalsContact C-N 3.29Å; L292-S294 PolarHBondContact O-N 3.12Å
295V86.9Confident91.5Very high101 Ų10139.1 Ų39.161%0.61223%0.227SC*.Hα-helixtrans-78.6-30.3-179.7-176.10000111.3H291H291-V295 PolarHBondContact O-N 2.92Å
296I83.4Confident91.4Very high71 Ų7144 Ų4436%0.36426%0.256SS..  trans-129.6126.8-174.1-65.5163.9000110.3S298 F299I296-S298 VanDerWaalsContact CG2-O 3.24Å; I296-S298 WeakPolarHBondContact CG2-O 3.4Å; I296-S298 PolarHBondContact O-N 3.02Å; I296-F299 HydrophobicContact CB-CD2 3.99Å; I296-F299 HydrophobicContact CD1-CD2 3.62Å; I296-F299 HydrophobicContact CD1-CE2 3.32Å; I296-F299 HydrophobicContact CD1-CZ 4.18Å; I296-F299 HydrophobicContact CG1-CD2 4.39Å; I296-F299 HydrophobicContact CG1-CE2 4.47Å; I296-F299 HydrophobicContact CG2-CB 4.5Å; I296-F299 HydrophobicContact CG2-CD2 4.09Å
297S78Confident91.4Very high109 Ų10946.8 Ų46.876%0.76227%0.271SS*.SBendtrans-65.3-34.3-175.755.90000114.3S359S297-S359 WeakPolarHBondContact O-CB 3.49Å; S297-S359 PolarHBondContact O-OG 2.98Å
298S84.5Confident91.3Very high55 Ų5546.7 Ų46.739%0.38527%0.271SS..SBendtrans-148.3124.8176.1-168.20000109.6I296 C357I296-S298 VanDerWaalsContact CG2-O 3.24Å; I296-S298 WeakPolarHBondContact CG2-O 3.4Å; I296-S298 PolarHBondContact O-N 3.02Å; S298-C357 WeakPolarHBondContact OG-CB 3.13Å
299F88.9Confident91.2Very high29 Ų2951.2 Ų51.213%0.12729%0.29CS..EExtended strand (participates in β ladder)trans-116.6138.2-174-145.8-60000109.1L293 I296 L301 D303 F304 L307 C357 I358L293-F299 HydrophobicContact CD2-CB 4.38Å; I296-F299 HydrophobicContact CB-CD2 3.99Å; I296-F299 HydrophobicContact CD1-CD2 3.62Å; I296-F299 HydrophobicContact CD1-CE2 3.32Å; I296-F299 HydrophobicContact CD1-CZ 4.18Å; I296-F299 HydrophobicContact CG1-CD2 4.39Å; I296-F299 HydrophobicContact CG1-CE2 4.47Å; I296-F299 HydrophobicContact CG2-CB 4.5Å; I296-F299 HydrophobicContact CG2-CD2 4.09Å; F299-L301 PolarHBondContact O-N 3.12Å; F299-D303 HydrophobicContact CD1-CB 4.2Å; F299-D303 HydrophobicContact CE1-CB 3.68Å; F299-F304 HydrophobicContact CB-CB 4.15Å; F299-F304 HydrophobicContact CD1-CB 3.65Å; F299-F304 HydrophobicContact CD2-CD2 4.4Å; F299-F304 HydrophobicContact CE1-CB 4.19Å; F299-F304 HydrophobicContact CG-CB 3.92Å; F299-F304 HydrophobicContact CG-CD2 4.38Å; F299-L307 HydrophobicContact CE2-CD2 3.95Å; F299-L307 HydrophobicContact CZ-CD2 3.66Å; F299-C357 CarbonylContact O-C 3.6Å; F299-C357 WeakPolarHBondContact O-CA 3.34Å; F299-C357 WeakPolarHBondContact O-CB 3.48Å; F299-I358 HydrophobicContact CB-CG2 4.07Å; F299-I358 PolarHBondContact N-O 3.07Å; F299-I358 PolarHBondContact O-N 2.59Å
300D91.5Very high91.1Very high71 Ų7155.2 Ų55.238%0.3832%0.323SS..EExtended strand (participates in β ladder)trans-55.6133.3167.1179.9-85.3000110N302 D303 F304D300-N302 PolarHBondContact O-N 2.99Å; D300-N302 PolarHBondContact OD1-N 2.98Å; D300-D303 HydrophobicContact CB-CB 4.18Å; D300-D303 PolarHBondContact O-N 3.04Å; D300-D303 PolarHBondContact OD1-N 3.4Å; D300-F304 VanDerWaalsContact O-CB 3.23Å; D300-F304 WeakPolarHBondContact O-CB 3.38Å; D300-F304 PolarHBondContact O-N 3.12Å
301L90.1Very high91.1Very high7 Ų757.3 Ų57.34%0.03734%0.337CS..Hα-helixtrans-64-40-171.7179.562.6000112.4F299 F304 L305 L320 F355 R356 I358F299-L301 PolarHBondContact O-N 3.12Å; L301-F304 PolarHBondContact O-N 3.06Å; L301-L305 HydrophobicContact CD1-CD1 4.14Å; L301-L305 HydrophobicContact CD1-CD2 4.48Å; L301-L305 HydrophobicContact CD1-CG 4.05Å; L301-L305 HydrophobicContact CG-CD1 4.02Å; L301-L305 HydrophobicContact CG-CG 4.34Å; L301-L305 WeakPolarHBondContact O-CB 3.36Å; L301-L305 WeakPolarHBondContact O-CG 3.38Å; L301-L305 PolarHBondContact O-N 3.46Å; L301-L320 HydrophobicContact CD1-CD1 4.29Å; L301-L320 HydrophobicContact CD1-CD2 3.91Å; L301-L320 HydrophobicContact CD2-CD2 4.36Å; L301-F355 HydrophobicContact CD2-CB 3.45Å; L301-F355 VanDerWaalsContact CD2-CB 3.45Å; L301-F355 HydrophobicContact CD2-CD2 3.98Å; L301-F355 HydrophobicContact CD2-CG 4.23Å; L301-R356 PolarHBondContact N-O 3.26Å; L301-I358 HydrophobicContact CD1-CB 4.19Å; L301-I358 HydrophobicContact CD1-CG2 4.19Å
302N89.4Confident91.1Very high110 Ų11056.4 Ų56.459%0.58833%0.334SS*.Hα-helixtrans-73.3-40.7-176.1-66.3-47.2000111.2D300 F304 L305 T306D300-N302 PolarHBondContact O-N 2.99Å; D300-N302 PolarHBondContact OD1-N 2.98Å; N302-F304 VanDerWaalsContact C-N 3.33Å; N302-L305 PolarHBondContact O-N 3.19Å; N302-T306 WeakPolarHBondContact O-CB 3.4Å; N302-T306 PolarHBondContact O-N 3.11Å; N302-T306 PolarHBondContact O-OG1 2.96Å
303D92Very high91.1Very high101 Ų10156.2 Ų56.254%0.5433%0.334SS..Hα-helixtrans-63.8-42.7175-65.2-20.3000110.3F299 D300 T306 L307F299-D303 HydrophobicContact CD1-CB 4.2Å; F299-D303 HydrophobicContact CE1-CB 3.68Å; D300-D303 HydrophobicContact CB-CB 4.18Å; D300-D303 PolarHBondContact O-N 3.04Å; D300-D303 PolarHBondContact OD1-N 3.4Å; D303-T306 PolarHBondContact O-N 2.89Å; D303-L307 WeakPolarHBondContact O-CB 3.49Å; D303-L307 PolarHBondContact O-N 2.88Å
304F93.7Very high90.9Very high0 Ų061.4 Ų61.40%036%0.362CS..Hα-helixtrans-59.6-49.3175.2172-101.7000111.9L292 L293 F299 D300 L301 N302 T306 L307 W308 L324 I358L292-F304 HydrophobicContact CB-CE2 4.01Å; L292-F304 HydrophobicContact CD1-CE2 4.4Å; L293-F304 HydrophobicContact CD1-CE2 4.24Å; L293-F304 HydrophobicContact CD1-CZ 4.08Å; L293-F304 HydrophobicContact CD2-CD2 3.65Å; L293-F304 HydrophobicContact CD2-CE2 3.52Å; L293-F304 HydrophobicContact CD2-CG 4.32Å; L293-F304 HydrophobicContact CD2-CZ 4.08Å; L293-F304 HydrophobicContact CG-CD2 4.22Å; L293-F304 HydrophobicContact CG-CE2 3.56Å; L293-F304 HydrophobicContact CG-CZ 3.92Å; F299-F304 HydrophobicContact CB-CB 4.15Å; F299-F304 HydrophobicContact CD1-CB 3.65Å; F299-F304 HydrophobicContact CD2-CD2 4.4Å; F299-F304 HydrophobicContact CE1-CB 4.19Å; F299-F304 HydrophobicContact CG-CB 3.92Å; F299-F304 HydrophobicContact CG-CD2 4.38Å; D300-F304 VanDerWaalsContact O-CB 3.23Å; D300-F304 WeakPolarHBondContact O-CB 3.38Å; D300-F304 PolarHBondContact O-N 3.12Å; L301-F304 PolarHBondContact O-N 3.06Å; N302-F304 VanDerWaalsContact C-N 3.33Å; F304-T306 VanDerWaalsContact C-N 3.27Å; F304-T306 PolarHBondContact O-N 3.42Å; F304-L307 PolarHBondContact O-N 2.71Å; F304-W308 HydrophobicContact CE1-CB 4.28Å; F304-W308 HydrophobicContact CE1-CD2 4.05Å; F304-W308 AromaticContact CE1-CE3 3.6Å; F304-W308 HydrophobicContact CE1-CE3 3.6Å; F304-W308 HydrophobicContact CE1-CG 4.38Å; F304-W308 HydrophobicContact CE1-CZ3 4.22Å; F304-W308 HydrophobicContact CE2-CB 4.31Å; F304-W308 HydrophobicContact CZ-CB 4.08Å; F304-W308 AromaticContact CZ-CD2 3.95Å; F304-W308 HydrophobicContact CZ-CD2 3.95Å; F304-W308 AromaticContact CZ-CE3 3.98Å; F304-W308 HydrophobicContact CZ-CE3 3.98Å; F304-W308 HydrophobicContact CZ-CG 4.03Å; F304-W308 WeakPolarHBondContact O-CB 3.29Å; F304-W308 PolarHBondContact O-N 3.35Å; F304-L324 HydrophobicContact CE1-CD1 3.78Å; F304-L324 HydrophobicContact CZ-CD1 3.64Å; F304-I358 HydrophobicContact CB-CG2 3.82Å; F304-I358 HydrophobicContact CD1-CD1 4.02Å; F304-I358 HydrophobicContact CD1-CG2 3.76Å; F304-I358 HydrophobicContact CD2-CG2 4.34Å; F304-I358 HydrophobicContact CE1-CD1 3.78Å; F304-I358 HydrophobicContact CE1-CG2 4.45Å; F304-I358 HydrophobicContact CG-CG2 3.68Å; F304-I358 HydrophobicContact CZ-CD1 4.4Å
305L92.7Very high90.8Very high43 Ų4359.1 Ų59.123%0.22535%0.348CS..Hα-helixtrans-62-38.3-179-71.7173.9000111.8L301 N302 W308 K309 L320L301-L305 HydrophobicContact CD1-CD1 4.14Å; L301-L305 HydrophobicContact CD1-CD2 4.48Å; L301-L305 HydrophobicContact CD1-CG 4.05Å; L301-L305 HydrophobicContact CG-CD1 4.02Å; L301-L305 HydrophobicContact CG-CG 4.34Å; L301-L305 WeakPolarHBondContact O-CB 3.36Å; L301-L305 WeakPolarHBondContact O-CG 3.38Å; L301-L305 PolarHBondContact O-N 3.46Å; N302-L305 PolarHBondContact O-N 3.19Å; L305-W308 HydrophobicContact CD2-CE3 4.16Å; L305-W308 HydrophobicContact CD2-CZ3 4.41Å; L305-K309 WeakPolarHBondContact O-CB 3.37Å; L305-K309 PolarHBondContact O-N 3.46Å; L305-L320 HydrophobicContact CD2-CB 4.09Å; L305-L320 HydrophobicContact CD2-CD1 4.43Å; L305-L320 HydrophobicContact CD2-CD2 4.47Å
306T92.8Very high91Very high101 Ų10154.8 Ų54.862%0.6232%0.321SS*.Hα-helixtrans-66.1-48.8177.2-55.90000110.8N302 D303 F304 K309 A310N302-T306 WeakPolarHBondContact O-CB 3.4Å; N302-T306 PolarHBondContact O-N 3.11Å; N302-T306 PolarHBondContact O-OG1 2.96Å; D303-T306 PolarHBondContact O-N 2.89Å; F304-T306 VanDerWaalsContact C-N 3.27Å; F304-T306 PolarHBondContact O-N 3.42Å; T306-K309 PolarHBondContact O-N 2.8Å; T306-A310 PolarHBondContact O-N 2.85Å; T306-A310 VanDerWaalsContact O-N 3.13Å
307L94.5Very high91.3Very high70 Ų7054.3 Ų54.337%0.36632%0.315SS..Hα-helixtrans-62-46177.2-179.660.2000111.3L292 F299 D303 F304 K309 A310 S311L292-L307 HydrophobicContact CD1-CG 4.21Å; L292-L307 HydrophobicContact CD2-CD2 4.01Å; L292-L307 HydrophobicContact CD2-CG 4.19Å; F299-L307 HydrophobicContact CE2-CD2 3.95Å; F299-L307 HydrophobicContact CZ-CD2 3.66Å; D303-L307 WeakPolarHBondContact O-CB 3.49Å; D303-L307 PolarHBondContact O-N 2.88Å; F304-L307 PolarHBondContact O-N 2.71Å; L307-K309 PolarHBondContact O-N 2.9Å; L307-A310 CarbonylContact O-C 3.5Å; L307-A310 WeakPolarHBondContact O-CB 3.49Å; L307-A310 PolarHBondContact O-N 3.47Å; L307-S311 PolarHBondContact O-N 3.22Å; L307-S311 PolarHBondContact O-OG 3.46Å
308W94.8Very high92Very high2 Ų249.8 Ų49.81%0.00828%0.283CS..Hα-helixtrans-62.9-40.6-178.9-174.130.6000112.2C285 L292 F304 L305 A310 S311 V312 P318 L320 H323 L324C285-W308 HydrophobicContact CB-CZ2 4.02Å; C285-W308 VanDerWaalsContact O-CZ2 3.27Å; C285-W308 WeakPolarHBondContact O-CZ2 3.48Å; C285-W308 PolarHBondContact O-NE1 3.46Å; L292-W308 HydrophobicContact CD1-CB 3.93Å; L292-W308 HydrophobicContact CD1-CG 4.28Å; F304-W308 HydrophobicContact CE1-CB 4.28Å; F304-W308 HydrophobicContact CE1-CD2 4.05Å; F304-W308 AromaticContact CE1-CE3 3.6Å; F304-W308 HydrophobicContact CE1-CE3 3.6Å; F304-W308 HydrophobicContact CE1-CG 4.38Å; F304-W308 HydrophobicContact CE1-CZ3 4.22Å; F304-W308 HydrophobicContact CE2-CB 4.31Å; F304-W308 HydrophobicContact CZ-CB 4.08Å; F304-W308 AromaticContact CZ-CD2 3.95Å; F304-W308 HydrophobicContact CZ-CD2 3.95Å; F304-W308 AromaticContact CZ-CE3 3.98Å; F304-W308 HydrophobicContact CZ-CE3 3.98Å; F304-W308 HydrophobicContact CZ-CG 4.03Å; F304-W308 WeakPolarHBondContact O-CB 3.29Å; F304-W308 PolarHBondContact O-N 3.35Å; L305-W308 HydrophobicContact CD2-CE3 4.16Å; L305-W308 HydrophobicContact CD2-CZ3 4.41Å; W308-A310 VanDerWaalsContact C-N 3.3Å; W308-A310 PolarHBondContact O-N 3.5Å; W308-S311 PolarHBondContact O-N 3.25Å; W308-V312 WeakPolarHBondContact O-CG2 3.38Å; W308-V312 PolarHBondContact O-N 3.21Å; W308-P318 HydrophobicContact CD2-CB 3.57Å; W308-P318 HydrophobicContact CD2-CG 4.3Å; W308-P318 VanDerWaalsContact CE2-CB 3.46Å; W308-P318 HydrophobicContact CE3-CB 3.76Å; W308-P318 HydrophobicContact CE3-CG 4.5Å; W308-P318 HydrophobicContact CG-CB 4.22Å; W308-P318 HydrophobicContact CH2-CB 3.8Å; W308-P318 HydrophobicContact CZ2-CB 3.61Å; W308-P318 HydrophobicContact CZ3-CB 3.85Å; W308-L320 HydrophobicContact CZ3-CB 4.35Å; W308-H323 HydrophobicContact CH2-CB 4.05Å; W308-H323 HydrophobicContact CZ2-CB 4.21Å; W308-L324 HydrophobicContact CD2-CD1 4.42Å; W308-L324 HydrophobicContact CE3-CD1 4.14Å; W308-L324 HydrophobicContact CH2-CD1 3.45Å; W308-L324 VanDerWaalsContact CH2-CD1 3.45Å; W308-L324 HydrophobicContact CH2-CG 3.66Å; W308-L324 HydrophobicContact CZ2-CD1 3.76Å; W308-L324 HydrophobicContact CZ2-CG 3.93Å; W308-L324 HydrophobicContact CZ3-CD1 3.68Å; W308-L324 HydrophobicContact CZ3-CG 4.33Å
309K93.6Very high92.4Very high98 Ų9847.8 Ų47.843%0.42627%0.267SS..Hα-helixtrans-61.4-38172.3-173.7178.4178.2-179.10111.8L305 T306 L307 V312 P318 S444L305-K309 WeakPolarHBondContact O-CB 3.37Å; L305-K309 PolarHBondContact O-N 3.46Å; T306-K309 PolarHBondContact O-N 2.8Å; L307-K309 PolarHBondContact O-N 2.9Å; K309-V312 WeakPolarHBondContact O-CG2 3.24Å; K309-P318 HydrophobicContact CB-CG 4.38Å; K309-S444 PolarHBondContact NZ-O 2.85Å
310A94.1Very high92.5Very high83 Ų8346.6 Ų46.669%0.68626%0.262SS*.Hα-helixtrans-75.7-26.817900000113.7T306 L307 W308T306-A310 PolarHBondContact O-N 2.85Å; T306-A310 VanDerWaalsContact O-N 3.13Å; L307-A310 CarbonylContact O-C 3.5Å; L307-A310 WeakPolarHBondContact O-CB 3.49Å; L307-A310 PolarHBondContact O-N 3.47Å; W308-A310 VanDerWaalsContact C-N 3.3Å; W308-A310 PolarHBondContact O-N 3.5Å
311S95.2Very high92.4Very high44 Ų4444.7 Ų44.731%0.30825%0.249SC..Hα-helixtrans-86.5-21.4-177.8-59.60000114.4L307 W308L307-S311 PolarHBondContact O-N 3.22Å; L307-S311 PolarHBondContact O-OG 3.46Å; W308-S311 PolarHBondContact O-N 3.25Å
312V95.1Very high92.4Very high7 Ų748.3 Ų48.34%0.04226%0.263CS..SBendtrans-78146.4176.9-69.20000111.2C285 V288 W308 K309 P318C285-V312 HydrophobicContact CB-CG1 4.34Å; V288-V312 HydrophobicContact CB-CG1 4.01Å; V288-V312 HydrophobicContact CG1-CG1 3.96Å; V288-V312 HydrophobicContact CG2-CG1 4.24Å; W308-V312 WeakPolarHBondContact O-CG2 3.38Å; W308-V312 PolarHBondContact O-N 3.21Å; K309-V312 WeakPolarHBondContact O-CG2 3.24Å; V312-P318 HydrophobicContact CG2-CG 3.95Å
313P94.4Very high92.5Very high18 Ų1843.3 Ų43.312%0.11724%0.236CC..PPolyproline II helixtrans-55.7140.8176.1-2632.6000113.5V216 F220 I284 G315 L316V216-P313 HydrophobicContact CG1-CG 3.83Å; F220-P313 HydrophobicContact CB-CB 4.33Å; F220-P313 HydrophobicContact CD1-CB 3.32Å; F220-P313 HydrophobicContact CD1-CG 4.03Å; F220-P313 HydrophobicContact CD2-CB 4.04Å; F220-P313 HydrophobicContact CD2-CG 3.79Å; F220-P313 HydrophobicContact CE1-CB 3.42Å; F220-P313 VanDerWaalsContact CE1-CB 3.42Å; F220-P313 HydrophobicContact CE1-CG 4.1Å; F220-P313 HydrophobicContact CE2-CB 4.14Å; F220-P313 HydrophobicContact CE2-CG 3.88Å; F220-P313 HydrophobicContact CG-CB 3.63Å; F220-P313 HydrophobicContact CG-CG 3.86Å; F220-P313 HydrophobicContact CZ-CB 3.84Å; F220-P313 HydrophobicContact CZ-CG 4.02Å; I284-P313 HydrophobicContact CG2-CG 4.44Å; P313-G315 PolarHBondContact O-N 3.25Å; P313-L316 HydrophobicContact CB-CD1 4.24Å; P313-L316 HydrophobicContact CG-CD1 4.26Å; P313-L316 WeakPolarHBondContact O-CB 3.32Å; P313-L316 PolarHBondContact O-N 3.5Å; P313-L316 VanDerWaalsContact O-N 3.1Å
314N90.9Very high92.6Very high111 Ų11138.5 Ų38.559%0.59421%0.21SC*.THydrogen-bonded Turntrans-52.5137.4179.6-71.5-29.9000111.3W230 R231 L316 Y440W230-N314 VanDerWaalsContact CZ2-O 3.3Å; W230-N314 WeakPolarHBondContact CZ2-O 3.46Å; R231-N314 VanDerWaalsContact NH2-C 3.32Å; R231-N314 PolarHBondContact NH2-O 3.16Å; N314-L316 VanDerWaalsContact C-N 3.33Å; N314-Y440 HydrophobicContact CB-CE1 4.1Å
315G89.5Confident92.6Very high11 Ų1138.5 Ų38.511%0.11321%0.21CC..THydrogen-bonded Turntrans90.8-15.5-176.900000114.6P313 Y437 E438P313-G315 PolarHBondContact O-N 3.25Å; G315-Y437 WeakPolarHBondContact O-CA 3.44Å; G315-E438 PolarHBondContact O-N 2.8Å
316L92.5Very high92.6Very high9 Ų937.7 Ų37.75%0.04721%0.208CC..  trans-90.5144.2170-57.9-174.4000110.7F220 W230 N281 I284 P313 N314 Y437F220-L316 HydrophobicContact CE1-CD1 4.46Å; F220-L316 HydrophobicContact CZ-CD1 3.91Å; F220-L316 HydrophobicContact CZ-CG 4.48Å; W230-L316 HydrophobicContact CH2-CD2 4.03Å; W230-L316 HydrophobicContact CH2-CG 4.42Å; W230-L316 HydrophobicContact CZ3-CD2 4.21Å; N281-L316 HydrophobicContact CB-CD2 4.38Å; N281-L316 WeakPolarHBondContact OD1-CA 3.24Å; N281-L316 WeakPolarHBondContact OD1-CB 3.35Å; I284-L316 HydrophobicContact CB-CD1 3.86Å; I284-L316 HydrophobicContact CD1-CD1 3.77Å; I284-L316 HydrophobicContact CG1-CD1 4.43Å; I284-L316 HydrophobicContact CG2-CD1 3.52Å; P313-L316 HydrophobicContact CB-CD1 4.24Å; P313-L316 HydrophobicContact CG-CD1 4.26Å; P313-L316 WeakPolarHBondContact O-CB 3.32Å; P313-L316 PolarHBondContact O-N 3.5Å; P313-L316 VanDerWaalsContact O-N 3.1Å; N314-L316 VanDerWaalsContact C-N 3.33Å; L316-Y437 HydrophobicContact CD2-CD1 3.85Å; L316-Y437 HydrophobicContact CD2-CE1 4.03Å
317R89.9Confident92.5Very high62 Ų6234 Ų3423%0.23419%0.188CC..  trans-118.7108.2-176.8-75.4-171.7177.8163.413.1111.1N281 H323 E438 E452N281-R317 PolarHBondContact ND2-O 3.11Å; N281-R317 PolarHBondContact OD1-N 3.21Å; N281-R317 PolarHBondContact OD1-O 2.79Å; R317-H323 PolarHBondContact O-CE1 2.93Å; R317-H323 VanDerWaalsContact O-CE1 3.29Å; R317-E438 HydrophobicContact CG-CG 4.33Å; R317-E438 VanDerWaalsContact CZ-CG 3.48Å; R317-E438 IonicContact CZ-OE1 3.54Å; R317-E438 IonicContact NE-OE1 3.09Å; R317-E438 PolarHBondContact NE-OE1 2.81Å; R317-E438 IonicContact NE-OE2 2.76Å; R317-E438 VanDerWaalsContact NH2-CD 3.26Å; R317-E438 IonicContact NH2-OE1 3.37Å; R317-E438 PolarHBondContact NH2-OE1 2.74Å; R317-E452 IonicContact CZ-OE2 2.9Å; R317-E452 VanDerWaalsContact NH1-CD 3.28Å; R317-E452 IonicContact NH1-OE1 2.85Å; R317-E452 PolarHBondContact NH1-OE1 3.36Å; R317-E452 IonicContact NH1-OE2 2.83Å; R317-E452 PolarHBondContact NH1-OE2 3.01Å
318P92.5Very high92.5Very high14 Ų1430.7 Ų30.79%0.09117%0.17CC..  trans-72.2138.1176.326.4-23.6000110.5C285 W308 K309 V312C285-P318 HydrophobicContact CB-CB 4.12Å; W308-P318 HydrophobicContact CD2-CB 3.57Å; W308-P318 HydrophobicContact CD2-CG 4.3Å; W308-P318 VanDerWaalsContact CE2-CB 3.46Å; W308-P318 HydrophobicContact CE3-CB 3.76Å; W308-P318 HydrophobicContact CE3-CG 4.5Å; W308-P318 HydrophobicContact CG-CB 4.22Å; W308-P318 HydrophobicContact CH2-CB 3.8Å; W308-P318 HydrophobicContact CZ2-CB 3.61Å; W308-P318 HydrophobicContact CZ3-CB 3.85Å; K309-P318 HydrophobicContact CB-CG 4.38Å; V312-P318 HydrophobicContact CG2-CG 3.95Å
319K91.4Very high92.5Very high12 Ų1230.7 Ų30.75%0.05217%0.17CC..  trans-127.5110.6-178.7-65.8177.6-175.6165.50108R321 R322 H323 D453K319-R321 PolarHBondContact O-N 3.29Å; K319-R322 HydrophobicContact CB-CB 4.01Å; K319-R322 PolarHBondContact O-N 2.86Å; K319-H323 PolarHBondContact N-CE1 2.96Å; K319-H323 PolarHBondContact N-ND1 2.93Å; K319-H323 VanDerWaalsContact N-ND1 3.11Å; K319-H323 VanDerWaalsContact O-CB 3.25Å; K319-H323 WeakPolarHBondContact O-CB 3.25Å; K319-H323 PolarHBondContact O-N 3.44Å; K319-D453 WeakPolarHBondContact CB-OD1 3.47Å
320L91.7Very high92.6Very high5 Ų526 Ų263%0.02615%0.15CC..Hα-helixtrans-54.6-52.8-172.3172.665.5000112L301 L305 W308 L324 T325 I358 D453L301-L320 HydrophobicContact CD1-CD1 4.29Å; L301-L320 HydrophobicContact CD1-CD2 3.91Å; L301-L320 HydrophobicContact CD2-CD2 4.36Å; L305-L320 HydrophobicContact CD2-CB 4.09Å; L305-L320 HydrophobicContact CD2-CD1 4.43Å; L305-L320 HydrophobicContact CD2-CD2 4.47Å; W308-L320 HydrophobicContact CZ3-CB 4.35Å; L320-L324 HydrophobicContact CD1-CD1 4.48Å; L320-L324 WeakPolarHBondContact O-CA 3.32Å; L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 PolarHBondContact O-N 2.86Å; L320-T325 HydrophobicContact CD1-CG2 3.98Å; L320-T325 HydrophobicContact CG-CG2 4.25Å; L320-T325 PolarHBondContact O-N 2.96Å; L320-I358 HydrophobicContact CD1-CD1 3.52Å; L320-D453 WeakPolarHBondContact CB-OD2 3.31Å; L320-D453 PolarHBondContact N-OD2 2.97Å
321R90.4Very high92.6Very high30 Ų3023.3 Ų23.311%0.11312%0.122CC..Hα-helixtrans-72-48.3-176.2-57.8-168.776.9-174.44110.7K319 H323 T325 C326 E389 D453K319-R321 PolarHBondContact O-N 3.29Å; R321-H323 PolarHBondContact O-N 3.33Å; R321-T325 WeakPolarHBondContact CA-OG1 3.22Å; R321-C326 VanDerWaalsContact O-CA 3.3Å; R321-C326 WeakPolarHBondContact O-CA 3.36Å; R321-C326 WeakPolarHBondContact O-CB 3.48Å; R321-C326 PolarHBondContact O-N 2.66Å; R321-E389 IonicContact CZ-OE1 2.79Å; R321-E389 IonicContact NE-OE1 3.25Å; R321-E389 PolarHBondContact NE-OE1 3.05Å; R321-E389 VanDerWaalsContact NE-OE1 3.15Å; R321-E389 IonicContact NH2-OE1 3.76Å; R321-E389 PolarHBondContact NH2-OE1 3.37Å; R321-D453 WeakPolarHBondContact CB-OD1 3.45Å; R321-D453 PolarHBondContact N-OD1 2.72Å; R321-D453 PolarHBondContact N-OD2 2.86Å
322R88.9Confident92.4Very high84 Ų8421.4 Ų21.432%0.31711%0.108SC..Hα-helixtrans-67.6-37.2-176.6-70.3-171.5178.4154.7-11.5114.2K319 E452 D453 V454K319-R322 HydrophobicContact CB-CB 4.01Å; K319-R322 PolarHBondContact O-N 2.86Å; R322-E452 VanDerWaalsContact CZ-O 3.27Å; R322-E452 PolarHBondContact NH1-O 3.3Å; R322-D453 PolarHBondContact N-OD1 2.75Å; R322-D453 VanDerWaalsContact N-OD1 3.12Å; R322-V454 PolarHBondContact NE-O 3.26Å; R322-V454 PolarHBondContact NH2-O 3.3Å
323H92.7Very high91.9Very high5 Ų525.2 Ų25.22%0.02313%0.126CC..Hα-helixtrans-99.2-22.2-172-50.6166.2000112.8N281 C285 Q286 W308 R317 K319 R321 A327N281-H323 PolarHBondContact ND2-CE1 3.25Å; N281-H323 VanDerWaalsContact ND2-CE1 3.35Å; C285-H323 VanDerWaalsContact CB-ND1 3.32Å; C285-H323 WeakPolarHBondContact CB-ND1 3.43Å; Q286-H323 HydrophobicContact CB-CB 4.44Å; Q286-H323 WeakPolarHBondContact CG-O 3.32Å; W308-H323 HydrophobicContact CH2-CB 4.05Å; W308-H323 HydrophobicContact CZ2-CB 4.21Å; R317-H323 PolarHBondContact O-CE1 2.93Å; R317-H323 VanDerWaalsContact O-CE1 3.29Å; K319-H323 PolarHBondContact N-CE1 2.96Å; K319-H323 PolarHBondContact N-ND1 2.93Å; K319-H323 VanDerWaalsContact N-ND1 3.11Å; K319-H323 VanDerWaalsContact O-CB 3.25Å; K319-H323 WeakPolarHBondContact O-CB 3.25Å; K319-H323 PolarHBondContact O-N 3.44Å; R321-H323 PolarHBondContact O-N 3.33Å; H323-A327 WeakPolarHBondContact O-CB 3.49Å
324L94Very high91.2Very high0 Ų025.2 Ų25.20%012%0.124CC..THydrogen-bonded Turntrans-122.9-67.9-178-61.5175000113.3Q286 E290 L293 F304 W308 L320 A327 G328 R329 A330 I358Q286-L324 HydrophobicContact CG-CD2 4.49Å; E290-L324 HydrophobicContact CG-CD2 4.3Å; L293-L324 HydrophobicContact CD1-CD1 4.28Å; F304-L324 HydrophobicContact CE1-CD1 3.78Å; F304-L324 HydrophobicContact CZ-CD1 3.64Å; W308-L324 HydrophobicContact CD2-CD1 4.42Å; W308-L324 HydrophobicContact CE3-CD1 4.14Å; W308-L324 HydrophobicContact CH2-CD1 3.45Å; W308-L324 VanDerWaalsContact CH2-CD1 3.45Å; W308-L324 HydrophobicContact CH2-CG 3.66Å; W308-L324 HydrophobicContact CZ2-CD1 3.76Å; W308-L324 HydrophobicContact CZ2-CG 3.93Å; W308-L324 HydrophobicContact CZ3-CD1 3.68Å; W308-L324 HydrophobicContact CZ3-CG 4.33Å; L320-L324 HydrophobicContact CD1-CD1 4.48Å; L320-L324 WeakPolarHBondContact O-CA 3.32Å; L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 PolarHBondContact O-N 2.86Å; L324-A327 PolarHBondContact O-N 3.34Å; L324-G328 PolarHBondContact O-N 2.88Å; L324-R329 HydrophobicContact CD2-CB 4.24Å; L324-R329 PolarHBondContact O-N 2.83Å; L324-A330 HydrophobicContact CB-CB 3.98Å; L324-A330 PolarHBondContact O-N 3.18Å; L324-I358 HydrophobicContact CD1-CD1 4.3Å
325T93.1Very high90.1Very high0 Ų023.2 Ų23.20%012%0.117CC..G310 helixtrans-76.7-35.8-166.1660000114.5L320 R321 A327 A330 S392L320-T325 HydrophobicContact CD1-CG2 3.98Å; L320-T325 HydrophobicContact CG-CG2 4.25Å; L320-T325 PolarHBondContact O-N 2.96Å; R321-T325 WeakPolarHBondContact CA-OG1 3.22Å; T325-A327 VanDerWaalsContact C-N 3.33Å; T325-A330 WeakPolarHBondContact CA-O 3.25Å; T325-S392 PolarHBondContact O-OG 3.21Å
326C92.2Very high88.7Confident26 Ų2627.2 Ų27.218%0.17614%0.14CC..G310 helixtrans-937.7171.2-53.20000112.7R321 E389 S392 P455R321-C326 VanDerWaalsContact O-CA 3.3Å; R321-C326 WeakPolarHBondContact O-CA 3.36Å; R321-C326 WeakPolarHBondContact O-CB 3.48Å; R321-C326 PolarHBondContact O-N 2.66Å; C326-E389 VanDerWaalsContact SG-CG 3.53Å; C326-S392 WeakPolarHBondContact O-CB 3.33Å; C326-P455 HydrophobicContact CB-CB 4.42Å; C326-P455 VanDerWaalsContact SG-CB 3.54Å
327A91.8Very high87.2Confident24 Ų2432 Ų3220%0.19817%0.166CC..G310 helixtrans-102.61.5170.600000112.5R194 H323 L324 T325 R329R194-A327 PolarHBondContact NH2-O 3.31Å; H323-A327 WeakPolarHBondContact O-CB 3.49Å; L324-A327 PolarHBondContact O-N 3.34Å; T325-A327 VanDerWaalsContact C-N 3.33Å; A327-R329 HydrophobicContact CB-CG 4.16Å
328G94Very high85.4Confident0 Ų033.1 Ų33.10%018%0.181CC..THydrogen-bonded Turntrans65.437.5-177.200000113L324 L361 R362 S363 S392 F393L324-G328 PolarHBondContact O-N 2.88Å; G328-L361 CarbonylContact C-O 3.57Å; G328-R362 CarbonylContact O-C 3.45Å; G328-R362 WeakPolarHBondContact O-CA 3.44Å; G328-S363 PolarHBondContact O-N 2.86Å; G328-S392 WeakPolarHBondContact CA-OG 3.49Å; G328-S392 PolarHBondContact N-OG 2.93Å; G328-F393 VanDerWaalsContact C-CE1 3.48Å; G328-F393 VanDerWaalsContact CA-CE1 3.47Å
329R94.7Very high83.3Confident2 Ų239.1 Ų39.11%0.00822%0.217CC..SBendtrans-118.3-21.2-178.3-56.7-54.5-129.1-170.93114.5R194 Q286 E290 L324 A327 L360 L361 E364R194-R329 VanDerWaalsContact CZ-CZ 3.44Å; R194-R329 PolarHBondContact O-NH2 2.69Å; Q286-R329 HydrophobicContact CG-CG 4.16Å; E290-R329 HydrophobicContact CG-CB 4.14Å; E290-R329 WeakPolarHBondContact OE1-CD 3.36Å; E290-R329 IonicContact OE1-CZ 3.01Å; E290-R329 IonicContact OE1-NE 2.83Å; E290-R329 PolarHBondContact OE1-NE 3.05Å; E290-R329 IonicContact OE1-NH2 3.34Å; E290-R329 IonicContact OE2-NE 3.82Å; L324-R329 HydrophobicContact CD2-CB 4.24Å; L324-R329 PolarHBondContact O-N 2.83Å; A327-R329 HydrophobicContact CB-CG 4.16Å; R329-L360 WeakPolarHBondContact O-CD1 3.28Å; R329-L361 CarbonylContact C-O 3.33Å; R329-L361 WeakPolarHBondContact CA-O 3.32Å; R329-L361 CarbonylContact O-C 3.58Å; R329-L361 PolarHBondContact O-N 3.42Å; R329-E364 IonicContact CZ-OE1 3.81Å; R329-E364 IonicContact NH1-OE1 2.69Å; R329-E364 PolarHBondContact NH1-OE1 2.96Å; R329-E364 IonicContact NH1-OE2 3.58Å; R329-E364 PolarHBondContact NH1-OE2 3.34Å
330A95.4Very high80.8Confident0 Ų044.5 Ų44.50%025%0.247CC..EExtended strand (participates in β ladder)trans-148.3167.3174.300000110L293 L324 T325 I358 S359 L361L293-A330 HydrophobicContact CD1-CB 3.71Å; L324-A330 HydrophobicContact CB-CB 3.98Å; L324-A330 PolarHBondContact O-N 3.18Å; T325-A330 WeakPolarHBondContact CA-O 3.25Å; A330-I358 HydrophobicContact CB-CD1 3.95Å; A330-I358 HydrophobicContact CB-CG1 3.97Å; A330-S359 VanDerWaalsContact CA-O 3.29Å; A330-S359 WeakPolarHBondContact CA-O 3.46Å; A330-S359 WeakPolarHBondContact CB-O 3.13Å; A330-L361 PolarHBondContact N-O 3.29Å
331Y94.3Very high78.4Confident26 Ų2648.4 Ų48.410%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-136.7153.9169.674.7-71.2000110.6E333 I358 S359 L361 R381 C382 W385Y331-E333 HydrophobicContact CE2-CG 4.1Å; Y331-I358 WeakPolarHBondContact O-CA 3.24Å; Y331-S359 VanDerWaalsContact CE1-CB 3.45Å; Y331-S359 PolarHBondContact N-O 3.47Å; Y331-S359 PolarHBondContact O-N 3.43Å; Y331-L361 HydrophobicContact CD1-CB 3.54Å; Y331-L361 HydrophobicContact CD1-CD2 3.82Å; Y331-L361 HydrophobicContact CD1-CG 4.32Å; Y331-L361 HydrophobicContact CE1-CB 4.05Å; Y331-L361 HydrophobicContact CE1-CD2 4.33Å; Y331-L361 HydrophobicContact CG-CD2 4.28Å; Y331-R381 HydrophobicContact CE2-CB 4.22Å; Y331-C382 VanDerWaalsContact CD2-SG 3.56Å; Y331-W385 AromaticContact CD2-CH2 3.85Å; Y331-W385 HydrophobicContact CD2-CH2 3.85Å; Y331-W385 HydrophobicContact CD2-CZ2 4.36Å; Y331-W385 AromaticContact CG-CH2 3.78Å; Y331-W385 HydrophobicContact CG-CH2 3.78Å; Y331-W385 HydrophobicContact CG-CZ3 4.38Å
332C91.3Very high75.9Confident3 Ų352 Ų522%0.0231%0.314CS..EExtended strand (participates in β ladder)trans-111.3132.9174.4-65.60000109.5I334 F355 C357C332-I334 PolarHBondContact O-N 2.91Å; C332-F355 HydrophobicContact CB-CB 3.88Å; C332-F355 HydrophobicContact CB-CD1 3.36Å; C332-F355 HydrophobicContact CB-CD2 3.8Å; C332-F355 HydrophobicContact CB-CE1 3.69Å; C332-F355 HydrophobicContact CB-CE2 4.14Å; C332-F355 HydrophobicContact CB-CG 3.42Å; C332-F355 VanDerWaalsContact CB-CG 3.42Å; C332-F355 HydrophobicContact CB-CZ 4.09Å; C332-C357 VanDerWaalsContact CA-O 3.31Å; C332-C357 WeakPolarHBondContact CA-O 3.41Å
333E84.6Confident73.6Confident87 Ų8753.1 Ų53.141%0.40733%0.334SS..EExtended strand (participates in β ladder)trans-72.3126172.6-68.3-176.4-173.800109.9Y331 F355 C357Y331-E333 HydrophobicContact CE2-CG 4.1Å; E333-F355 WeakPolarHBondContact O-CA 3.5Å; E333-C357 VanDerWaalsContact CD-SG 3.6Å; E333-C357 PolarHBondContact N-O 3.22Å
334I79.3Confident71.2Confident18 Ų1857.7 Ų57.79%0.09236%0.362CS..EExtended strand (participates in β ladder)trans-91.8123176.3-65173.4000108.8C332 P336 I351 R354 F355 P386C332-I334 PolarHBondContact O-N 2.91Å; I334-P336 WeakPolarHBondContact O-CD 3.27Å; I334-I351 HydrophobicContact CD1-CD1 4.29Å; I334-R354 HydrophobicContact CG2-CB 4.2Å; I334-F355 HydrophobicContact CD1-CE1 3.89Å; I334-F355 HydrophobicContact CG1-CD1 3.68Å; I334-F355 HydrophobicContact CG1-CE1 3.41Å; I334-F355 VanDerWaalsContact CG1-CE1 3.41Å; I334-P386 HydrophobicContact CD1-CG 3.87Å
335T68.2Low68.7Low70 Ų7066.3 Ų66.343%0.42940%0.4SS..PPolyproline II helixtrans-65.7123.2169.8-49.90000109.4R354T335-R354 PolarHBondContact N-O 2.67Å; T335-R354 VanDerWaalsContact N-O 3.13Å; T335-R354 PolarHBondContact OG1-O 3.44Å
336P60.1Low66.5Low94 Ų9470 Ų7061%0.6142%0.419SS*.PPolyproline II helixtrans-62.7139.3177.114.2-17000110.3I334I334-P336 WeakPolarHBondContact O-CD 3.27Å
337L60.3Low63.9Low111 Ų11178 Ų7858%0.58145%0.454SS*.PPolyproline II helixtrans-61.6138.4173.5-104.985.7000109T339L337-T339 PolarHBondContact O-N 3.03Å
338P51.9Low61.9Low84 Ų8478.5 Ų78.555%0.54546%0.461SS..PPolyproline II helixtrans-58.3125171.422.5-30.1000109.2N340P338-N340 PolarHBondContact O-N 2.84Å
339T48.8Very low59.9Low141 Ų14185 Ų8587%0.86550%0.496SS*.SBendtrans-69-9.6179.538.90000113.2L337L337-T339 PolarHBondContact O-N 3.03Å
340N38.2Very low58.5Low124 Ų12487 Ų8766%0.66351%0.507SS*.SBendtrans-90.7122.2176.7-65.8-11.7000109.1P338 T342P338-N340 PolarHBondContact O-N 2.84Å; N340-T342 PolarHBondContact O-N 2.81Å; N340-T342 PolarHBondContact O-OG1 3.36Å
341G42.2Very low57.2Low87 Ų8787.2 Ų87.290%0.89751%0.508SS*.  trans-60.427.5-166.100000118.9S343G341-S343 PolarHBondContact O-N 3.12Å; G341-S343 VanDerWaalsContact O-N 3.17Å
342T38Very low55.7Low107 Ų10788.6 Ų88.666%0.65651%0.513SS*.  trans-69.7104.4159.1230000108.7N340 V344N340-T342 PolarHBondContact O-N 2.81Å; N340-T342 PolarHBondContact O-OG1 3.36Å; T342-V344 PolarHBondContact O-N 3.49Å
343S39.9Very low54.6Low107 Ų10791.9 Ų91.975%0.74854%0.536SS*.  trans-60.286.916864.70000109G341 K345G341-S343 PolarHBondContact O-N 3.12Å; G341-S343 VanDerWaalsContact O-N 3.17Å; S343-K345 VanDerWaalsContact C-N 3.3Å; S343-K345 PolarHBondContact O-N 2.75Å
344V42.2Very low54Low100 Ų10089.1 Ų89.161%0.60652%0.522SS*.  trans-64.5104.7158.7-178.20000104T342 L346T342-V344 PolarHBondContact O-N 3.49Å; V344-L346 HydrophobicContact CG1-CD1 4.34Å; V344-L346 PolarHBondContact O-N 3.43Å
345K42.8Very low53.9Low181 Ų18188.9 Ų88.979%0.78752%0.52SS*.  trans-58.695.7164.6-74.3-178.4177.5179.70104.9S343 E347S343-K345 VanDerWaalsContact C-N 3.3Å; S343-K345 PolarHBondContact O-N 2.75Å; K345-E347 VanDerWaalsContact C-N 3.32Å; K345-E347 PolarHBondContact O-N 3.45Å
346L45.7Very low54.5Low79 Ų7994.4 Ų94.441%0.41453%0.533SS..  trans-61.7106.5164.4-115.182000104.8V344 G348 S353 R354V344-L346 HydrophobicContact CG1-CD1 4.34Å; V344-L346 PolarHBondContact O-N 3.43Å; L346-G348 PolarHBondContact O-N 3.29Å; L346-S353 WeakPolarHBondContact CD2-OG 3.16Å; L346-R354 HydrophobicContact CD2-CG 3.68Å
347E39Very low55.9Low194 Ų19490.8 Ų90.891%0.90751%0.51SS*.SBendtrans-68.781170.5-69.8-173.2161.400107.3K345K345-E347 VanDerWaalsContact C-N 3.32Å; K345-E347 PolarHBondContact O-N 3.45Å
348G48Very low57.6Low34 Ų3485.5 Ų85.535%0.35148%0.482SS..  trans149117-179.500000111.8L346 D350L346-G348 PolarHBondContact O-N 3.29Å; G348-D350 PolarHBondContact O-N 2.92Å
349N52.8Low59.6Low136 Ų13682 Ų8273%0.72746%0.459SS*.SBendtrans-69.120.4167.5-93.2-11.4000112.6V477N349-V477 WeakPolarHBondContact O-CG1 3.33Å
350D65.1Low61.8Low43 Ų4377.2 Ų77.223%0.2343%0.428CS..  trans-116.9126.4-172.4-165.4-19.7000111.1G348 R352 S353G348-D350 PolarHBondContact O-N 2.92Å; D350-R352 PolarHBondContact O-N 3.07Å; D350-R352 VanDerWaalsContact O-N 3.16Å; D350-R352 WeakPolarHBondContact OD1-CB 3.3Å; D350-R352 WeakPolarHBondContact OD1-CG 3.43Å; D350-R352 PolarHBondContact OD1-N 3.11Å; D350-R352 IonicContact OD1-NE 3.47Å; D350-R352 PolarHBondContact OD1-NE 3.42Å; D350-R352 IonicContact OD2-CZ 3.44Å; D350-R352 IonicContact OD2-NE 2.68Å; D350-R352 PolarHBondContact OD2-NE 3.01Å; D350-R352 IonicContact OD2-NH2 3.17Å; D350-R352 PolarHBondContact OD2-NH2 2.66Å; D350-S353 PolarHBondContact O-N 3.35Å; D350-S353 PolarHBondContact O-OG 3.22Å
351I68.3Low64.5Low5 Ų571.8 Ų71.83%0.02640%0.399CS..G310 helixtrans-62-24.3-179.4-163.3150.6000112I334 S353 R354 F355 P386 V477 L480I334-I351 HydrophobicContact CD1-CD1 4.29Å; I351-S353 PolarHBondContact O-N 3.08Å; I351-R354 VanDerWaalsContact CD1-NH2 3.29Å; I351-R354 WeakPolarHBondContact O-CB 3.49Å; I351-R354 PolarHBondContact O-N 2.51Å; I351-F355 HydrophobicContact CG1-CE1 4.41Å; I351-F355 HydrophobicContact CG1-CZ 4.33Å; I351-F355 HydrophobicContact CG2-CE2 4.21Å; I351-F355 HydrophobicContact CG2-CZ 4.01Å; I351-P386 HydrophobicContact CD1-CB 4.21Å; I351-P386 HydrophobicContact CD1-CG 3.71Å; I351-V477 HydrophobicContact CB-CG1 3.5Å; I351-V477 HydrophobicContact CG1-CG1 4.41Å; I351-L480 HydrophobicContact CD1-CD2 3.5Å
352R64Low67Low56 Ų5668.8 Ų68.821%0.21136%0.361CS..G310 helixtrans-58-31.9179.5-70.9-174.8-74167.411.7112.9D350 R354 F355D350-R352 PolarHBondContact O-N 3.07Å; D350-R352 VanDerWaalsContact O-N 3.16Å; D350-R352 WeakPolarHBondContact OD1-CB 3.3Å; D350-R352 WeakPolarHBondContact OD1-CG 3.43Å; D350-R352 PolarHBondContact OD1-N 3.11Å; D350-R352 IonicContact OD1-NE 3.47Å; D350-R352 PolarHBondContact OD1-NE 3.42Å; D350-R352 IonicContact OD2-CZ 3.44Å; D350-R352 IonicContact OD2-NE 2.68Å; D350-R352 PolarHBondContact OD2-NE 3.01Å; D350-R352 IonicContact OD2-NH2 3.17Å; D350-R352 PolarHBondContact OD2-NH2 2.66Å; R352-R354 PolarHBondContact O-N 3.43Å; R352-R354 VanDerWaalsContact O-N 3.09Å; R352-F355 HydrophobicContact CB-CD2 4.23Å; R352-F355 HydrophobicContact CG-CD2 4.09Å; R352-F355 HydrophobicContact CG-CE2 3.96Å; R352-F355 WeakPolarHBondContact O-CB 3.48Å; R352-F355 PolarHBondContact O-N 3.49Å; R352-F355 VanDerWaalsContact O-N 3.1Å
353S67.1Low69.6Low71 Ų7163.7 Ų63.750%0.49733%0.33SS..G310 helixtrans-62.4-16.2175.462.60000114L346 D350 I351L346-S353 WeakPolarHBondContact CD2-OG 3.16Å; D350-S353 PolarHBondContact O-N 3.35Å; D350-S353 PolarHBondContact O-OG 3.22Å; I351-S353 PolarHBondContact O-N 3.08Å
354R72.8Confident72.1Confident30 Ų3059 Ų5911%0.11330%0.296CS..G310 helixtrans-96.2-11.4177.8-59.6-165.2-62.5158.4-0.2114I334 T335 L346 I351 R352I334-R354 HydrophobicContact CG2-CB 4.2Å; T335-R354 PolarHBondContact N-O 2.67Å; T335-R354 VanDerWaalsContact N-O 3.13Å; T335-R354 PolarHBondContact OG1-O 3.44Å; L346-R354 HydrophobicContact CD2-CG 3.68Å; I351-R354 VanDerWaalsContact CD1-NH2 3.29Å; I351-R354 WeakPolarHBondContact O-CB 3.49Å; I351-R354 PolarHBondContact O-N 2.51Å; R352-R354 PolarHBondContact O-N 3.43Å; R352-R354 VanDerWaalsContact O-N 3.09Å
355F77.7Confident74.4Confident13 Ų1357.6 Ų57.66%0.05729%0.285CS..EExtended strand (participates in β ladder)trans-78.4131.9176.1-60-34.4000109.1L301 C332 E333 I334 I351 R352 P386L301-F355 HydrophobicContact CD2-CB 3.45Å; L301-F355 VanDerWaalsContact CD2-CB 3.45Å; L301-F355 HydrophobicContact CD2-CD2 3.98Å; L301-F355 HydrophobicContact CD2-CG 4.23Å; C332-F355 HydrophobicContact CB-CB 3.88Å; C332-F355 HydrophobicContact CB-CD1 3.36Å; C332-F355 HydrophobicContact CB-CD2 3.8Å; C332-F355 HydrophobicContact CB-CE1 3.69Å; C332-F355 HydrophobicContact CB-CE2 4.14Å; C332-F355 HydrophobicContact CB-CG 3.42Å; C332-F355 VanDerWaalsContact CB-CG 3.42Å; C332-F355 HydrophobicContact CB-CZ 4.09Å; E333-F355 WeakPolarHBondContact O-CA 3.5Å; I334-F355 HydrophobicContact CD1-CE1 3.89Å; I334-F355 HydrophobicContact CG1-CD1 3.68Å; I334-F355 HydrophobicContact CG1-CE1 3.41Å; I334-F355 VanDerWaalsContact CG1-CE1 3.41Å; I351-F355 HydrophobicContact CG1-CE1 4.41Å; I351-F355 HydrophobicContact CG1-CZ 4.33Å; I351-F355 HydrophobicContact CG2-CE2 4.21Å; I351-F355 HydrophobicContact CG2-CZ 4.01Å; R352-F355 HydrophobicContact CB-CD2 4.23Å; R352-F355 HydrophobicContact CG-CD2 4.09Å; R352-F355 HydrophobicContact CG-CE2 3.96Å; R352-F355 WeakPolarHBondContact O-CB 3.48Å; R352-F355 PolarHBondContact O-N 3.49Å; R352-F355 VanDerWaalsContact O-N 3.1Å; F355-P386 HydrophobicContact CZ-CG 4.41Å
356R80Confident76.8Confident186 Ų18649 Ų4970%0.70225%0.248SC*.EExtended strand (participates in β ladder)trans-104.9-49173.4-98.6-169.5172.8-168.2-1.7111.7L301L301-R356 PolarHBondContact N-O 3.26Å
357C90.4Very high79.1Confident18 Ų1846.5 Ų46.512%0.12224%0.236CC..EExtended strand (participates in β ladder)trans-127.1157.8-177.559.60000111.3S298 F299 C332 E333S298-C357 WeakPolarHBondContact OG-CB 3.13Å; F299-C357 CarbonylContact O-C 3.6Å; F299-C357 WeakPolarHBondContact O-CA 3.34Å; F299-C357 WeakPolarHBondContact O-CB 3.48Å; C332-C357 VanDerWaalsContact CA-O 3.31Å; C332-C357 WeakPolarHBondContact CA-O 3.41Å; E333-C357 VanDerWaalsContact CD-SG 3.6Å; E333-C357 PolarHBondContact N-O 3.22Å
358I94Very high81.5Confident0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-123141.3173.5-175.7173.2000109.3L293 F299 L301 F304 L320 L324 A330 Y331L293-I358 HydrophobicContact CD1-CD1 4.02Å; L293-I358 HydrophobicContact CD1-CG1 4.15Å; L293-I358 HydrophobicContact CD2-CD1 4.46Å; L293-I358 HydrophobicContact CD2-CG1 4.18Å; L293-I358 HydrophobicContact CD2-CG2 3.81Å; F299-I358 HydrophobicContact CB-CG2 4.07Å; F299-I358 PolarHBondContact N-O 3.07Å; F299-I358 PolarHBondContact O-N 2.59Å; L301-I358 HydrophobicContact CD1-CB 4.19Å; L301-I358 HydrophobicContact CD1-CG2 4.19Å; F304-I358 HydrophobicContact CB-CG2 3.82Å; F304-I358 HydrophobicContact CD1-CD1 4.02Å; F304-I358 HydrophobicContact CD1-CG2 3.76Å; F304-I358 HydrophobicContact CD2-CG2 4.34Å; F304-I358 HydrophobicContact CE1-CD1 3.78Å; F304-I358 HydrophobicContact CE1-CG2 4.45Å; F304-I358 HydrophobicContact CG-CG2 3.68Å; F304-I358 HydrophobicContact CZ-CD1 4.4Å; L320-I358 HydrophobicContact CD1-CD1 3.52Å; L324-I358 HydrophobicContact CD1-CD1 4.3Å; A330-I358 HydrophobicContact CB-CD1 3.95Å; A330-I358 HydrophobicContact CB-CG1 3.97Å; Y331-I358 WeakPolarHBondContact O-CA 3.24Å
359S94.8Very high83.2Confident9 Ų942.9 Ų42.96%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-135145.8178.8-73.40000110.8S297 A330 Y331 L361S297-S359 WeakPolarHBondContact O-CB 3.49Å; S297-S359 PolarHBondContact O-OG 2.98Å; A330-S359 VanDerWaalsContact CA-O 3.29Å; A330-S359 WeakPolarHBondContact CA-O 3.46Å; A330-S359 WeakPolarHBondContact CB-O 3.13Å; Y331-S359 VanDerWaalsContact CE1-CB 3.45Å; Y331-S359 PolarHBondContact N-O 3.47Å; Y331-S359 PolarHBondContact O-N 3.43Å; S359-L361 PolarHBondContact O-N 3.42Å
360L95.5Very high84.8Confident42 Ų4238.4 Ų38.422%0.2219%0.191CC..EExtended strand (participates in β ladder)trans-62.2130.9173.1-173.968.4000110.1E290 L293 R329 R362E290-L360 HydrophobicContact CB-CD1 4.21Å; E290-L360 HydrophobicContact CG-CD1 4.14Å; L293-L360 HydrophobicContact CB-CB 3.87Å; L293-L360 HydrophobicContact CB-CD1 4.22Å; R329-L360 WeakPolarHBondContact O-CD1 3.28Å; L360-R362 HydrophobicContact CD1-CG 4.25Å; L360-R362 HydrophobicContact CG-CG 4.49Å
361L95.2Very high86.1Confident9 Ų937.5 Ų37.55%0.04719%0.186CC..  trans-154.8105170.5179.963.6000108.3G328 R329 A330 Y331 S359 L366 L378 W385 F393G328-L361 CarbonylContact C-O 3.57Å; R329-L361 CarbonylContact C-O 3.33Å; R329-L361 WeakPolarHBondContact CA-O 3.32Å; R329-L361 CarbonylContact O-C 3.58Å; R329-L361 PolarHBondContact O-N 3.42Å; A330-L361 PolarHBondContact N-O 3.29Å; Y331-L361 HydrophobicContact CD1-CB 3.54Å; Y331-L361 HydrophobicContact CD1-CD2 3.82Å; Y331-L361 HydrophobicContact CD1-CG 4.32Å; Y331-L361 HydrophobicContact CE1-CB 4.05Å; Y331-L361 HydrophobicContact CE1-CD2 4.33Å; Y331-L361 HydrophobicContact CG-CD2 4.28Å; S359-L361 PolarHBondContact O-N 3.42Å; L361-L366 HydrophobicContact CD1-CD2 4.03Å; L361-L366 HydrophobicContact CD1-CG 4.26Å; L361-L378 HydrophobicContact CD2-CD2 3.9Å; L361-W385 HydrophobicContact CD2-CH2 4.38Å; L361-F393 HydrophobicContact CB-CE1 4.41Å; L361-F393 HydrophobicContact CB-CZ 4.38Å; L361-F393 HydrophobicContact CD2-CE1 4Å; L361-F393 HydrophobicContact CD2-CZ 3.91Å; L361-F393 HydrophobicContact CG-CE1 3.89Å; L361-F393 HydrophobicContact CG-CZ 4.13Å; L361-F393 VanDerWaalsContact O-CE1 3.3Å; L361-F393 WeakPolarHBondContact O-CE1 3.28Å
362R93.8Very high87.2Confident25 Ų2541.3 Ų41.39%0.09420%0.204CC..  trans-89.2140.8178.5-50.6179.5177.6111.4-2.8109.8H209 E290 G328 L360 E364 D365H209-R362 PolarHBondContact CE1-NH2 3.19Å; H209-R362 PolarHBondContact ND1-NH2 2.79Å; E290-R362 WeakPolarHBondContact OE2-CD 3.4Å; E290-R362 IonicContact OE2-CZ 3.69Å; E290-R362 IonicContact OE2-NE 3.43Å; E290-R362 PolarHBondContact OE2-NE 3Å; E290-R362 IonicContact OE2-NH2 2.95Å; G328-R362 CarbonylContact O-C 3.45Å; G328-R362 WeakPolarHBondContact O-CA 3.44Å; L360-R362 HydrophobicContact CD1-CG 4.25Å; L360-R362 HydrophobicContact CG-CG 4.49Å; R362-E364 HydrophobicContact CB-CG 4.02Å; R362-E364 WeakPolarHBondContact CB-OE2 3.5Å; R362-E364 PolarHBondContact O-N 3.02Å; R362-D365 WeakPolarHBondContact CB-OD2 3.07Å; R362-D365 WeakPolarHBondContact O-CB 3.46Å; R362-D365 PolarHBondContact O-N 3.41Å
363S93.2Very high88.6Confident0 Ų039.7 Ų39.70%020%0.203CC..G310 helixtrans-56.8-35.6-179.959.30000112.8R194 G328 D365 L366 R374 E396R194-S363 PolarHBondContact NH2-OG 3.44Å; G328-S363 PolarHBondContact O-N 2.86Å; S363-D365 PolarHBondContact O-N 3.12Å; S363-L366 WeakPolarHBondContact O-CB 3.44Å; S363-L366 PolarHBondContact O-N 3.14Å; S363-R374 PolarHBondContact O-NH2 3.27Å; S363-E396 VanDerWaalsContact CB-OE2 3.29Å; S363-E396 WeakPolarHBondContact CB-OE2 3.16Å; S363-E396 PolarHBondContact OG-OE2 3.39Å
364E91.4Very high89.9Confident8 Ų836.4 Ų36.44%0.03718%0.18CC..G310 helixtrans-69.2-13.9176.660.5-96.4-138.900115L140 L195 R329 R362 L366L140-E364 HydrophobicContact CB-CB 3.8Å; L140-E364 HydrophobicContact CD1-CB 4.31Å; L195-E364 HydrophobicContact CD2-CB 3.9Å; L195-E364 HydrophobicContact CD2-CG 3.65Å; R329-E364 IonicContact CZ-OE1 3.81Å; R329-E364 IonicContact NH1-OE1 2.69Å; R329-E364 PolarHBondContact NH1-OE1 2.96Å; R329-E364 IonicContact NH1-OE2 3.58Å; R329-E364 PolarHBondContact NH1-OE2 3.34Å; R362-E364 HydrophobicContact CB-CG 4.02Å; R362-E364 WeakPolarHBondContact CB-OE2 3.5Å; R362-E364 PolarHBondContact O-N 3.02Å; E364-L366 VanDerWaalsContact C-N 3.33Å
365D91.2Very high91Very high71 Ų7135.2 Ų35.238%0.3818%0.175SC..G310 helixtrans-84.7-10.6174.1-73-50.1000112.4R144 R362 S363R144-D365 IonicContact CZ-OD1 2.59Å; R144-D365 IonicContact CZ-OD2 2.87Å; R144-D365 IonicContact NE-OD1 3.21Å; R144-D365 IonicContact NH1-OD1 2.9Å; R144-D365 PolarHBondContact NH1-OD1 2.76Å; R144-D365 IonicContact NH1-OD2 3.99Å; R144-D365 PolarHBondContact NH1-OD2 2.92Å; R144-D365 IonicContact NH2-OD1 2.8Å; R144-D365 PolarHBondContact NH2-OD1 3.44Å; R144-D365 IonicContact NH2-OD2 3.68Å; R144-D365 PolarHBondContact NH2-OD2 2.97Å; R362-D365 WeakPolarHBondContact CB-OD2 3.07Å; R362-D365 WeakPolarHBondContact O-CB 3.46Å; R362-D365 PolarHBondContact O-N 3.41Å; S363-D365 PolarHBondContact O-N 3.12Å
366L93.5Very high91.8Very high1 Ų138 Ų381%0.00519%0.191CC..SBendtrans-89.7154.9-178.1-68.1168.5000112.2L361 S363 E364 D368 R374 A377 L378 F393L361-L366 HydrophobicContact CD1-CD2 4.03Å; L361-L366 HydrophobicContact CD1-CG 4.26Å; S363-L366 WeakPolarHBondContact O-CB 3.44Å; S363-L366 PolarHBondContact O-N 3.14Å; E364-L366 VanDerWaalsContact C-N 3.33Å; L366-D368 PolarHBondContact O-N 3.27Å; L366-R374 HydrophobicContact CB-CG 4.12Å; L366-R374 HydrophobicContact CD1-CG 4.18Å; L366-R374 PolarHBondContact O-NH2 2.85Å; L366-A377 HydrophobicContact CD2-CB 4.21Å; L366-L378 HydrophobicContact CD1-CD1 4.42Å; L366-L378 HydrophobicContact CD1-CD2 3.7Å; L366-L378 HydrophobicContact CD1-CG 4.09Å; L366-L378 HydrophobicContact CD2-CD2 4.35Å; L366-F393 HydrophobicContact CD1-CB 4.18Å; L366-F393 HydrophobicContact CD1-CD1 3.59Å; L366-F393 HydrophobicContact CD1-CE1 4.28Å; L366-F393 HydrophobicContact CD1-CG 4.09Å
367P92.8Very high92.5Very high25 Ų2529.6 Ų29.616%0.16216%0.161CC..  trans-48.6135.2169.7-26.635.5000112.1E369 A373 R374 A377P367-E369 WeakPolarHBondContact CA-OE2 3.36Å; P367-E369 WeakPolarHBondContact CB-OE2 3.37Å; P367-A373 HydrophobicContact CB-CB 3.97Å; P367-R374 WeakPolarHBondContact O-CB 3.44Å; P367-R374 PolarHBondContact O-NE 2.79Å; P367-R374 PolarHBondContact O-NH2 2.83Å; P367-A377 HydrophobicContact CG-CB 3.94Å
368D89.6Confident92.8Very high40 Ų4028.7 Ų28.721%0.21416%0.155CC..  trans-125.68-179.463.7-7.2000113S139 K141 L366 L397S139-D368 WeakPolarHBondContact CB-OD2 3.36Å; S139-D368 PolarHBondContact OG-OD2 2.97Å; K141-D368 WeakPolarHBondContact CB-OD2 3.29Å; L366-D368 PolarHBondContact O-N 3.27Å; D368-L397 HydrophobicContact CB-CD2 3.8Å
369E83.2Confident92.8Very high112 Ų11229.4 Ų29.452%0.52316%0.159SC..SBendtrans-71.2-30.4174.960.1-91-153.900113.7P367 A373P367-E369 WeakPolarHBondContact CA-OE2 3.36Å; P367-E369 WeakPolarHBondContact CB-OE2 3.37Å; E369-A373 HydrophobicContact CG-CB 3.95Å
370S88.1Confident92.7Very high43 Ų4336.6 Ų36.630%0.30119%0.191SC..  trans-160.1157.2177.8640000111.5E372 A373 R374S370-E372 VanDerWaalsContact C-N 3.27Å; S370-E372 PolarHBondContact O-N 3.49Å; S370-A373 PolarHBondContact O-N 2.97Å; S370-A373 WeakPolarHBondContact OG-CB 3.5Å; S370-A373 PolarHBondContact OG-N 2.94Å; S370-A373 VanDerWaalsContact OG-N 3.07Å; S370-R374 PolarHBondContact O-N 3.19Å
371V91.3Very high92.4Very high23 Ų2339.7 Ų39.714%0.13920%0.2CC..Hα-helixtrans-63.4-38.4174.6174.30000110.3R374 L375 L394 L397 L465 F469V371-R374 PolarHBondContact O-N 2.65Å; V371-L375 HydrophobicContact CG1-CD1 3.89Å; V371-L375 HydrophobicContact CG1-CG 4.28Å; V371-L375 WeakPolarHBondContact O-CB 3.24Å; V371-L375 WeakPolarHBondContact O-CG 3.21Å; V371-L375 PolarHBondContact O-N 2.81Å; V371-L394 HydrophobicContact CG1-CD2 4.4Å; V371-L397 HydrophobicContact CG2-CD1 4.18Å; V371-L465 HydrophobicContact CG1-CD1 4.25Å; V371-L465 HydrophobicContact CG2-CD1 4.02Å; V371-F469 HydrophobicContact CG1-CD2 4.18Å; V371-F469 HydrophobicContact CG1-CE2 4.18Å
372E92.5Very high92.2Very high85 Ų8539.7 Ų39.740%0.39720%0.2SC..Hα-helixtrans-63.6-46.5179.2-65.286.8162.600112S370 R374 L375 N376 F469S370-E372 VanDerWaalsContact C-N 3.27Å; S370-E372 PolarHBondContact O-N 3.49Å; E372-R374 VanDerWaalsContact C-N 3.32Å; E372-R374 PolarHBondContact O-N 2.97Å; E372-L375 PolarHBondContact O-N 2.8Å; E372-N376 WeakPolarHBondContact O-CB 3.44Å; E372-N376 VanDerWaalsContact O-CG 3.22Å; E372-N376 PolarHBondContact O-N 2.82Å; E372-N376 PolarHBondContact O-ND2 3.42Å; E372-F469 HydrophobicContact CG-CD1 3.94Å; E372-F469 HydrophobicContact CG-CE1 3.45Å; E372-F469 VanDerWaalsContact CG-CE1 3.45Å; E372-F469 HydrophobicContact CG-CZ 3.98Å; E372-F469 WeakPolarHBondContact OE1-CE1 3.4Å; E372-F469 WeakPolarHBondContact OE1-CZ 3.18Å
373A93.4Very high91.9Very high23 Ų2342.3 Ų42.319%0.1922%0.223CC..Hα-helixtrans-60.8-42.7176.700000111.4P367 E369 S370 N376 A377P367-A373 HydrophobicContact CB-CB 3.97Å; E369-A373 HydrophobicContact CG-CB 3.95Å; S370-A373 PolarHBondContact O-N 2.97Å; S370-A373 WeakPolarHBondContact OG-CB 3.5Å; S370-A373 PolarHBondContact OG-N 2.94Å; S370-A373 VanDerWaalsContact OG-N 3.07Å; A373-N376 PolarHBondContact O-N 2.94Å; A373-A377 PolarHBondContact O-N 2.84Å
374R94.6Very high91.8Very high1 Ų143.8 Ų43.80%0.00423%0.232CC..Hα-helixtrans-64.1-46.2176.3-174.8164.4-68.4-166.5-6.1112.3S363 L366 P367 S370 V371 E372 N376 A377 L378 F393 L394 E396 L397S363-R374 PolarHBondContact O-NH2 3.27Å; L366-R374 HydrophobicContact CB-CG 4.12Å; L366-R374 HydrophobicContact CD1-CG 4.18Å; L366-R374 PolarHBondContact O-NH2 2.85Å; P367-R374 WeakPolarHBondContact O-CB 3.44Å; P367-R374 PolarHBondContact O-NE 2.79Å; P367-R374 PolarHBondContact O-NH2 2.83Å; S370-R374 PolarHBondContact O-N 3.19Å; V371-R374 PolarHBondContact O-N 2.65Å; E372-R374 VanDerWaalsContact C-N 3.32Å; E372-R374 PolarHBondContact O-N 2.97Å; R374-N376 VanDerWaalsContact C-N 3.33Å; R374-N376 PolarHBondContact O-N 2.9Å; R374-A377 PolarHBondContact O-N 2.91Å; R374-L378 HydrophobicContact CG-CD1 4.03Å; R374-L378 WeakPolarHBondContact O-CG 3.38Å; R374-L378 PolarHBondContact O-N 3.02Å; R374-F393 WeakPolarHBondContact CD-O 3.23Å; R374-F393 PolarHBondContact NH1-O 3.32Å; R374-L394 HydrophobicContact CB-CD2 4.47Å; R374-L394 HydrophobicContact CG-CD2 4.09Å; R374-E396 IonicContact CZ-OE1 3.89Å; R374-E396 VanDerWaalsContact CZ-OE1 3.25Å; R374-E396 VanDerWaalsContact NH1-CD 3.3Å; R374-E396 IonicContact NH1-OE1 3.11Å; R374-E396 PolarHBondContact NH1-OE1 2.74Å; R374-E396 IonicContact NH2-OE1 3.65Å; R374-E396 PolarHBondContact NH2-OE1 3.5Å; R374-L397 HydrophobicContact CB-CD1 4.07Å; R374-L397 HydrophobicContact CG-CD1 4.45Å
375L95.4Very high91.8Very high5 Ų543.5 Ų43.53%0.02623%0.23CC..Hα-helixtrans-61-42.2177.6-78.6175.2000111.7V371 E372 L378 F379 I390 L394 L466 F469V371-L375 HydrophobicContact CG1-CD1 3.89Å; V371-L375 HydrophobicContact CG1-CG 4.28Å; V371-L375 WeakPolarHBondContact O-CB 3.24Å; V371-L375 WeakPolarHBondContact O-CG 3.21Å; V371-L375 PolarHBondContact O-N 2.81Å; E372-L375 PolarHBondContact O-N 2.8Å; L375-L378 PolarHBondContact O-N 3.28Å; L375-F379 HydrophobicContact CB-CD2 4.41Å; L375-F379 HydrophobicContact CB-CE2 4.38Å; L375-F379 HydrophobicContact CD2-CE2 4.13Å; L375-F379 WeakPolarHBondContact O-CD2 3.42Å; L375-F379 PolarHBondContact O-N 2.9Å; L375-I390 HydrophobicContact CD2-CD1 3.82Å; L375-I390 HydrophobicContact CD2-CG1 4.25Å; L375-L394 HydrophobicContact CD2-CD1 4.02Å; L375-L394 HydrophobicContact CD2-CD2 4.27Å; L375-L394 HydrophobicContact CG-CD2 4.34Å; L375-L466 HydrophobicContact CD2-CD2 4.24Å; L375-F469 HydrophobicContact CD1-CB 3.43Å; L375-F469 VanDerWaalsContact CD1-CB 3.43Å; L375-F469 HydrophobicContact CD1-CD2 4.1Å; L375-F469 HydrophobicContact CD1-CG 3.89Å
376N94.5Very high91.8Very high72 Ų7240.3 Ų40.339%0.38521%0.213SC..Hα-helixtrans-60.6-48.3176-71.2-22.5000111.2E372 A373 R374 L378 F379 E380 Q483E372-N376 WeakPolarHBondContact O-CB 3.44Å; E372-N376 VanDerWaalsContact O-CG 3.22Å; E372-N376 PolarHBondContact O-N 2.82Å; E372-N376 PolarHBondContact O-ND2 3.42Å; A373-N376 PolarHBondContact O-N 2.94Å; R374-N376 VanDerWaalsContact C-N 3.33Å; R374-N376 PolarHBondContact O-N 2.9Å; N376-L378 PolarHBondContact O-N 3.2Å; N376-F379 PolarHBondContact O-N 3.12Å; N376-F379 VanDerWaalsContact O-N 3.16Å; N376-E380 WeakPolarHBondContact O-CG 3.48Å; N376-E380 PolarHBondContact O-N 2.87Å; N376-Q483 PolarHBondContact OD1-NE2 3.37Å; N376-Q483 VanDerWaalsContact OD1-NE2 3.1Å
377A95.1Very high91.7Very high9 Ų941.1 Ų41.17%0.07422%0.217CC..Hα-helixtrans-61.1-31.4177.200000113.4L366 P367 A373 R374 R381L366-A377 HydrophobicContact CD2-CB 4.21Å; P367-A377 HydrophobicContact CG-CB 3.94Å; A373-A377 PolarHBondContact O-N 2.84Å; R374-A377 PolarHBondContact O-N 2.91Å; A377-R381 PolarHBondContact O-NH1 2.81Å
378L95.5Very high91.7Very high0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-73.3-43.3174.4-72.6166.4000111.8L361 L366 R374 L375 N376 E380 R381 C382 W385 I390 F393L361-L378 HydrophobicContact CD2-CD2 3.9Å; L366-L378 HydrophobicContact CD1-CD1 4.42Å; L366-L378 HydrophobicContact CD1-CD2 3.7Å; L366-L378 HydrophobicContact CD1-CG 4.09Å; L366-L378 HydrophobicContact CD2-CD2 4.35Å; R374-L378 HydrophobicContact CG-CD1 4.03Å; R374-L378 WeakPolarHBondContact O-CG 3.38Å; R374-L378 PolarHBondContact O-N 3.02Å; L375-L378 PolarHBondContact O-N 3.28Å; N376-L378 PolarHBondContact O-N 3.2Å; L378-E380 VanDerWaalsContact C-N 3.34Å; L378-R381 PolarHBondContact O-N 3.17Å; L378-C382 PolarHBondContact O-N 2.99Å; L378-W385 HydrophobicContact CB-CZ2 4.17Å; L378-W385 HydrophobicContact CD2-CH2 3.96Å; L378-W385 HydrophobicContact CD2-CZ2 3.9Å; L378-W385 WeakPolarHBondContact O-CZ2 3.23Å; L378-W385 PolarHBondContact O-NE1 2.84Å; L378-I390 HydrophobicContact CD1-CG1 4.12Å; L378-F393 HydrophobicContact CD1-CB 3.85Å; L378-F393 HydrophobicContact CD1-CG 4.37Å; L378-F393 HydrophobicContact CD2-CB 4.37Å; L378-F393 HydrophobicContact CD2-CD1 4.47Å; L378-F393 HydrophobicContact CD2-CD2 4.01Å; L378-F393 HydrophobicContact CD2-CE2 4.45Å; L378-F393 HydrophobicContact CD2-CG 4.03Å
379F94Very high91.8Very high15 Ų1539.5 Ų39.57%0.06621%0.208CC..Hα-helixtrans-72.1-26179.6-74.7-59.2000113.7L375 N376 R381 C382 W385 I390 C470 Q483L375-F379 HydrophobicContact CB-CD2 4.41Å; L375-F379 HydrophobicContact CB-CE2 4.38Å; L375-F379 HydrophobicContact CD2-CE2 4.13Å; L375-F379 WeakPolarHBondContact O-CD2 3.42Å; L375-F379 PolarHBondContact O-N 2.9Å; N376-F379 PolarHBondContact O-N 3.12Å; N376-F379 VanDerWaalsContact O-N 3.16Å; F379-R381 PolarHBondContact O-N 3.32Å; F379-C382 VanDerWaalsContact CA-O 3.31Å; F379-C382 WeakPolarHBondContact CA-O 3Å; F379-C382 CarbonylContact O-C 3.57Å; F379-W385 AromaticContact CD1-CD1 3.8Å; F379-W385 AromaticContact CE1-CD1 3.71Å; F379-I390 HydrophobicContact CE1-CD1 4.15Å; F379-I390 HydrophobicContact CE2-CD1 4.2Å; F379-I390 HydrophobicContact CZ-CD1 3.72Å; F379-C470 HydrophobicContact CZ-CB 4.5Å; F379-Q483 HydrophobicContact CB-CB 4.14Å; F379-Q483 HydrophobicContact CB-CG 4.33Å; F379-Q483 HydrophobicContact CD1-CB 4.11Å; F379-Q483 HydrophobicContact CD2-CB 3.79Å; F379-Q483 HydrophobicContact CD2-CG 3.82Å; F379-Q483 HydrophobicContact CE1-CB 4.49Å; F379-Q483 HydrophobicContact CE2-CB 4.19Å; F379-Q483 HydrophobicContact CE2-CG 4.39Å; F379-Q483 HydrophobicContact CG-CB 3.75Å; F379-Q483 HydrophobicContact CG-CG 4.15Å
380E92.3Very high92.4Very high159 Ų15934.1 Ų34.174%0.74318%0.183SC*.Hα-helixtrans-62.9-29.8168.9-77.4173.5-179.800112.6N376 L378N376-E380 WeakPolarHBondContact O-CG 3.48Å; N376-E380 PolarHBondContact O-N 2.87Å; L378-E380 VanDerWaalsContact C-N 3.34Å
381R90.3Very high92.7Very high108 Ų10832.1 Ų32.141%0.40817%0.17SC..Hα-helixtrans-85.7-45.4178-70170.6171.470.81.6112.2Y331 A377 L378 F379Y331-R381 HydrophobicContact CE2-CB 4.22Å; A377-R381 PolarHBondContact O-NH1 2.81Å; L378-R381 PolarHBondContact O-N 3.17Å; F379-R381 PolarHBondContact O-N 3.32Å
382C90.1Very high92.8Very high9 Ų931.9 Ų31.96%0.06117%0.169CC..  trans-135.5126.3178.9-83.80000110.6Y331 L378 F379 V384 W385Y331-C382 VanDerWaalsContact CD2-SG 3.56Å; L378-C382 PolarHBondContact O-N 2.99Å; F379-C382 VanDerWaalsContact CA-O 3.31Å; F379-C382 WeakPolarHBondContact CA-O 3Å; F379-C382 CarbonylContact O-C 3.57Å; C382-V384 VanDerWaalsContact C-N 3.26Å; C382-V384 PolarHBondContact O-N 3.04Å; C382-W385 HydrophobicContact CB-CD2 4.23Å; C382-W385 VanDerWaalsContact CB-CE2 3.46Å; C382-W385 HydrophobicContact CB-CZ2 3.64Å; C382-W385 VanDerWaalsContact CB-NE1 3.35Å; C382-W385 VanDerWaalsContact O-CD1 3.31Å; C382-W385 PolarHBondContact O-NE1 2.89Å
383S88.7Confident92.9Very high80 Ų8027.8 Ų27.856%0.55915%0.15SC*.SBendtrans-70.2-22.8179.158.70000113.8
384V89.6Confident92.9Very high31 Ų3126.7 Ų26.719%0.18814%0.141CC..EExtended strand (participates in β ladder)trans-133.8134.8-177.7-176.70000109.5C382 L480 L481 T482C382-V384 VanDerWaalsContact C-N 3.26Å; C382-V384 PolarHBondContact O-N 3.04Å; V384-L480 HydrophobicContact CG1-CB 4.16Å; V384-L480 HydrophobicContact CG1-CD1 4.5Å; V384-L480 HydrophobicContact CG1-CD2 4.15Å; V384-L481 WeakPolarHBondContact CA-O 3.37Å; V384-T482 HydrophobicContact CG2-CG2 3.91Å
385W91.8Very high92.7Very high2 Ų229.8 Ų29.81%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-131.7144.7177.9-69.382.8000113.1Y331 L361 L378 F379 C382 I390 F393 L480 L481Y331-W385 AromaticContact CD2-CH2 3.85Å; Y331-W385 HydrophobicContact CD2-CH2 3.85Å; Y331-W385 HydrophobicContact CD2-CZ2 4.36Å; Y331-W385 AromaticContact CG-CH2 3.78Å; Y331-W385 HydrophobicContact CG-CH2 3.78Å; Y331-W385 HydrophobicContact CG-CZ3 4.38Å; L361-W385 HydrophobicContact CD2-CH2 4.38Å; L378-W385 HydrophobicContact CB-CZ2 4.17Å; L378-W385 HydrophobicContact CD2-CH2 3.96Å; L378-W385 HydrophobicContact CD2-CZ2 3.9Å; L378-W385 WeakPolarHBondContact O-CZ2 3.23Å; L378-W385 PolarHBondContact O-NE1 2.84Å; F379-W385 AromaticContact CD1-CD1 3.8Å; F379-W385 AromaticContact CE1-CD1 3.71Å; C382-W385 HydrophobicContact CB-CD2 4.23Å; C382-W385 VanDerWaalsContact CB-CE2 3.46Å; C382-W385 HydrophobicContact CB-CZ2 3.64Å; C382-W385 VanDerWaalsContact CB-NE1 3.35Å; C382-W385 VanDerWaalsContact O-CD1 3.31Å; C382-W385 PolarHBondContact O-NE1 2.89Å; W385-I390 HydrophobicContact CB-CB 3.73Å; W385-I390 HydrophobicContact CB-CD1 3.99Å; W385-I390 HydrophobicContact CB-CG1 4.34Å; W385-I390 HydrophobicContact CB-CG2 4.16Å; W385-I390 HydrophobicContact CD2-CB 4.3Å; W385-I390 HydrophobicContact CE3-CB 4.36Å; W385-I390 HydrophobicContact CG-CB 4.08Å; W385-I390 HydrophobicContact CG-CD1 3.91Å; W385-I390 HydrophobicContact CG-CG1 4.28Å; W385-F393 HydrophobicContact CH2-CE2 4.26Å; W385-F393 HydrophobicContact CZ3-CD2 4.4Å; W385-F393 AromaticContact CZ3-CE2 3.87Å; W385-F393 HydrophobicContact CZ3-CE2 3.87Å; W385-L480 CarbonylContact O-C 3.46Å; W385-L480 WeakPolarHBondContact O-CA 3.38Å; W385-L481 PolarHBondContact N-O 3.08Å; W385-L481 PolarHBondContact O-N 3.11Å
386P91.1Very high92.3Very high4 Ų431.6 Ų31.63%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-70.8139.9165.1-16.734000111.2I334 I351 F355 E389 I390I334-P386 HydrophobicContact CD1-CG 3.87Å; I351-P386 HydrophobicContact CD1-CB 4.21Å; I351-P386 HydrophobicContact CD1-CG 3.71Å; F355-P386 HydrophobicContact CZ-CG 4.41Å; P386-E389 HydrophobicContact CB-CB 4.37Å; P386-E389 HydrophobicContact CB-CG 4.31Å; P386-E389 HydrophobicContact CG-CG 4.43Å; P386-E389 PolarHBondContact O-N 2.62Å; P386-E389 VanDerWaalsContact O-N 3.1Å; P386-I390 PolarHBondContact O-N 3.25Å; P386-I390 VanDerWaalsContact O-N 3.1Å
387E92.6Very high92Very high18 Ų1829.9 Ų29.98%0.08416%0.159CC..Hα-helixtrans-51.8-46.9-177.4-168.3-176.2113.500114.6E389 G391 C463 L466 R479 L481E387-E389 VanDerWaalsContact C-N 3.28Å; E387-E389 PolarHBondContact O-N 3.18Å; E387-G391 PolarHBondContact O-N 3.24Å; E387-C463 PolarHBondContact OE1-SG 2.86Å; E387-L466 HydrophobicContact CG-CD1 3.93Å; E387-R479 HydrophobicContact CB-CB 3.93Å; E387-R479 PolarHBondContact N-O 2.63Å; E387-R479 IonicContact OE1-NH1 2.93Å; E387-R479 WeakPolarHBondContact OE2-CD 3.35Å; E387-R479 IonicContact OE2-CZ 3.03Å; E387-R479 IonicContact OE2-NE 2.79Å; E387-R479 IonicContact OE2-NH1 2.61Å; E387-R479 PolarHBondContact OE2-NH1 3.1Å; E387-R479 VanDerWaalsContact OE2-NH1 3.08Å; E387-L481 HydrophobicContact CB-CD1 3.53Å; E387-L481 HydrophobicContact CG-CD1 4.01Å
388P91.7Very high91.6Very high28 Ų2830.9 Ų30.918%0.18216%0.163CC..Hα-helixtrans-66.8-30.9-178.7-20.334.6000113.4S392 P455 T458P388-S392 PolarHBondContact O-N 3.08Å; P388-S392 VanDerWaalsContact O-N 3.14Å; P388-P455 HydrophobicContact CB-CB 3.7Å; P388-P455 HydrophobicContact CB-CG 4.19Å; P388-P455 HydrophobicContact CG-CB 4.05Å; P388-P455 HydrophobicContact CG-CG 3.96Å; P388-T458 WeakPolarHBondContact CA-OG1 3.37Å
389E93.3Very high90.8Very high2 Ų232.8 Ų32.81%0.00918%0.175CC..Hα-helixtrans-77.5-52.6-176.3-68.5169.2-144.200110.3R321 C326 P386 E387 G391 S392 F393R321-E389 IonicContact CZ-OE1 2.79Å; R321-E389 IonicContact NE-OE1 3.25Å; R321-E389 PolarHBondContact NE-OE1 3.05Å; R321-E389 VanDerWaalsContact NE-OE1 3.15Å; R321-E389 IonicContact NH2-OE1 3.76Å; R321-E389 PolarHBondContact NH2-OE1 3.37Å; C326-E389 VanDerWaalsContact SG-CG 3.53Å; P386-E389 HydrophobicContact CB-CB 4.37Å; P386-E389 HydrophobicContact CB-CG 4.31Å; P386-E389 HydrophobicContact CG-CG 4.43Å; P386-E389 PolarHBondContact O-N 2.62Å; P386-E389 VanDerWaalsContact O-N 3.1Å; E387-E389 VanDerWaalsContact C-N 3.28Å; E387-E389 PolarHBondContact O-N 3.18Å; E389-G391 VanDerWaalsContact C-N 3.25Å; E389-G391 PolarHBondContact O-N 2.97Å; E389-S392 WeakPolarHBondContact O-CB 3.43Å; E389-S392 PolarHBondContact O-N 3.43Å; E389-S392 VanDerWaalsContact O-N 3.14Å; E389-S392 PolarHBondContact O-OG 3.47Å; E389-F393 VanDerWaalsContact O-CD2 3.26Å; E389-F393 WeakPolarHBondContact O-CD2 3.42Å
390I94.4Very high89.6Confident0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-62.9-35.6174.7-164.7169000111.8L375 L378 F379 W385 P386 S392 F393 L466 L481L375-I390 HydrophobicContact CD2-CD1 3.82Å; L375-I390 HydrophobicContact CD2-CG1 4.25Å; L378-I390 HydrophobicContact CD1-CG1 4.12Å; F379-I390 HydrophobicContact CE1-CD1 4.15Å; F379-I390 HydrophobicContact CE2-CD1 4.2Å; F379-I390 HydrophobicContact CZ-CD1 3.72Å; W385-I390 HydrophobicContact CB-CB 3.73Å; W385-I390 HydrophobicContact CB-CD1 3.99Å; W385-I390 HydrophobicContact CB-CG1 4.34Å; W385-I390 HydrophobicContact CB-CG2 4.16Å; W385-I390 HydrophobicContact CD2-CB 4.3Å; W385-I390 HydrophobicContact CE3-CB 4.36Å; W385-I390 HydrophobicContact CG-CB 4.08Å; W385-I390 HydrophobicContact CG-CD1 3.91Å; W385-I390 HydrophobicContact CG-CG1 4.28Å; P386-I390 PolarHBondContact O-N 3.25Å; P386-I390 VanDerWaalsContact O-N 3.1Å; I390-S392 VanDerWaalsContact C-N 3.28Å; I390-S392 PolarHBondContact O-N 3.42Å; I390-F393 PolarHBondContact O-N 3.5Å; I390-L466 HydrophobicContact CG1-CD2 4.49Å; I390-L466 HydrophobicContact CG2-CD1 4.02Å; I390-L466 HydrophobicContact CG2-CD2 4.08Å; I390-L481 HydrophobicContact CG2-CD1 4.13Å; I390-L481 HydrophobicContact CG2-CD2 4.24Å
391G94.2Very high88.2Confident1 Ų133.8 Ų33.81%0.0119%0.186CC..Hα-helixtrans-62.8-34176.800000113.1E387 E389 F393 L394 T395E387-G391 PolarHBondContact O-N 3.24Å; E389-G391 VanDerWaalsContact C-N 3.25Å; E389-G391 PolarHBondContact O-N 2.97Å; G391-F393 VanDerWaalsContact C-N 3.27Å; G391-F393 PolarHBondContact O-N 2.73Å; G391-L394 PolarHBondContact O-N 2.97Å; G391-L394 VanDerWaalsContact O-N 3.07Å; G391-T395 PolarHBondContact O-N 2.6Å; G391-T395 PolarHBondContact O-OG1 3.48Å; G391-T395 VanDerWaalsContact O-OG1 3.06Å
392S93.6Very high86.5Confident17 Ų1733.7 Ų33.712%0.11920%0.2CC..Hα-helixtrans-61.5-35.2178.177.10000112.7T325 C326 G328 P388 E389 I390 L394T325-S392 PolarHBondContact O-OG 3.21Å; C326-S392 WeakPolarHBondContact O-CB 3.33Å; G328-S392 WeakPolarHBondContact CA-OG 3.49Å; G328-S392 PolarHBondContact N-OG 2.93Å; P388-S392 PolarHBondContact O-N 3.08Å; P388-S392 VanDerWaalsContact O-N 3.14Å; E389-S392 WeakPolarHBondContact O-CB 3.43Å; E389-S392 PolarHBondContact O-N 3.43Å; E389-S392 VanDerWaalsContact O-N 3.14Å; E389-S392 PolarHBondContact O-OG 3.47Å; I390-S392 VanDerWaalsContact C-N 3.28Å; I390-S392 PolarHBondContact O-N 3.42Å; S392-L394 VanDerWaalsContact C-N 3.27Å; S392-L394 PolarHBondContact O-N 2.89Å
393F94.8Very high84.3Confident0 Ų038.2 Ų38.20%023%0.229CC..THydrogen-bonded Turntrans-72.8-14.6176.4-67.4-73.5000114.3G328 L361 L366 R374 L378 W385 E389 I390 G391G328-F393 VanDerWaalsContact C-CE1 3.48Å; G328-F393 VanDerWaalsContact CA-CE1 3.47Å; L361-F393 HydrophobicContact CB-CE1 4.41Å; L361-F393 HydrophobicContact CB-CZ 4.38Å; L361-F393 HydrophobicContact CD2-CE1 4Å; L361-F393 HydrophobicContact CD2-CZ 3.91Å; L361-F393 HydrophobicContact CG-CE1 3.89Å; L361-F393 HydrophobicContact CG-CZ 4.13Å; L361-F393 VanDerWaalsContact O-CE1 3.3Å; L361-F393 WeakPolarHBondContact O-CE1 3.28Å; L366-F393 HydrophobicContact CD1-CB 4.18Å; L366-F393 HydrophobicContact CD1-CD1 3.59Å; L366-F393 HydrophobicContact CD1-CE1 4.28Å; L366-F393 HydrophobicContact CD1-CG 4.09Å; R374-F393 WeakPolarHBondContact CD-O 3.23Å; R374-F393 PolarHBondContact NH1-O 3.32Å; L378-F393 HydrophobicContact CD1-CB 3.85Å; L378-F393 HydrophobicContact CD1-CG 4.37Å; L378-F393 HydrophobicContact CD2-CB 4.37Å; L378-F393 HydrophobicContact CD2-CD1 4.47Å; L378-F393 HydrophobicContact CD2-CD2 4.01Å; L378-F393 HydrophobicContact CD2-CE2 4.45Å; L378-F393 HydrophobicContact CD2-CG 4.03Å; W385-F393 HydrophobicContact CH2-CE2 4.26Å; W385-F393 HydrophobicContact CZ3-CD2 4.4Å; W385-F393 AromaticContact CZ3-CE2 3.87Å; W385-F393 HydrophobicContact CZ3-CE2 3.87Å; E389-F393 VanDerWaalsContact O-CD2 3.26Å; E389-F393 WeakPolarHBondContact O-CD2 3.42Å; I390-F393 PolarHBondContact O-N 3.5Å; G391-F393 VanDerWaalsContact C-N 3.27Å; G391-F393 PolarHBondContact O-N 2.73Å
394L93.9Very high81.9Confident0 Ų042.5 Ų42.50%023%0.233CC..THydrogen-bonded Turntrans-101.5-18.9-178.2-59.5-176.6000113.5V371 R374 L375 G391 S392 E396 L397 V462 L466V371-L394 HydrophobicContact CG1-CD2 4.4Å; R374-L394 HydrophobicContact CB-CD2 4.47Å; R374-L394 HydrophobicContact CG-CD2 4.09Å; L375-L394 HydrophobicContact CD2-CD1 4.02Å; L375-L394 HydrophobicContact CD2-CD2 4.27Å; L375-L394 HydrophobicContact CG-CD2 4.34Å; G391-L394 PolarHBondContact O-N 2.97Å; G391-L394 VanDerWaalsContact O-N 3.07Å; S392-L394 VanDerWaalsContact C-N 3.27Å; S392-L394 PolarHBondContact O-N 2.89Å; L394-E396 VanDerWaalsContact C-N 3.25Å; L394-E396 PolarHBondContact O-N 3.26Å; L394-L397 PolarHBondContact O-N 3.12Å; L394-V462 HydrophobicContact CB-CG1 4.08Å; L394-V462 HydrophobicContact CD1-CG1 4.28Å; L394-L466 HydrophobicContact CD1-CD2 3.45Å; L394-L466 VanDerWaalsContact CD1-CD2 3.45Å; L394-L466 HydrophobicContact CD1-CG 4.08Å
395T89.4Confident79.3Confident65 Ų6551 Ų5140%0.39927%0.268SS..G310 helixtrans-56.9-39.9-172.6-57.80000112G391 L397 L398 P459G391-T395 PolarHBondContact O-N 2.6Å; G391-T395 PolarHBondContact O-OG1 3.48Å; G391-T395 VanDerWaalsContact O-OG1 3.06Å; T395-L397 VanDerWaalsContact C-N 3.32Å; T395-L397 PolarHBondContact O-N 3.07Å; T395-L398 PolarHBondContact O-N 3.49Å; T395-P459 HydrophobicContact CG2-CG 4.45Å
396E86.9Confident76.4Confident43 Ų4358.2 Ų58.220%0.20131%0.306CS..G310 helixtrans-70.7-21.4-179.667.6176.9-151.300114.3S136 L140 S363 R374 L394 L398S136-E396 WeakPolarHBondContact CB-O 3.48Å; S136-E396 PolarHBondContact OG-O 3.37Å; L140-E396 WeakPolarHBondContact CD1-OE2 3.5Å; S363-E396 VanDerWaalsContact CB-OE2 3.29Å; S363-E396 WeakPolarHBondContact CB-OE2 3.16Å; S363-E396 PolarHBondContact OG-OE2 3.39Å; R374-E396 IonicContact CZ-OE1 3.89Å; R374-E396 VanDerWaalsContact CZ-OE1 3.25Å; R374-E396 VanDerWaalsContact NH1-CD 3.3Å; R374-E396 IonicContact NH1-OE1 3.11Å; R374-E396 PolarHBondContact NH1-OE1 2.74Å; R374-E396 IonicContact NH2-OE1 3.65Å; R374-E396 PolarHBondContact NH2-OE1 3.5Å; L394-E396 VanDerWaalsContact C-N 3.25Å; L394-E396 PolarHBondContact O-N 3.26Å; E396-L398 PolarHBondContact O-N 2.98Å
397L88.4Confident73.5Confident37 Ų3760.8 Ų60.819%0.19432%0.324CS..G310 helixtrans-79.2-12.2177.7-64.2-175.4000112.7D368 V371 R374 L394 T395D368-L397 HydrophobicContact CB-CD2 3.8Å; V371-L397 HydrophobicContact CG2-CD1 4.18Å; R374-L397 HydrophobicContact CB-CD1 4.07Å; R374-L397 HydrophobicContact CG-CD1 4.45Å; L394-L397 PolarHBondContact O-N 3.12Å; T395-L397 VanDerWaalsContact C-N 3.32Å; T395-L397 PolarHBondContact O-N 3.07Å
398L86.7Confident70.4Confident30 Ų3066 Ų6616%0.15736%0.362CS..SBendtrans-95.3143.8-179.4-72.2179.5000111S136 T395 E396 A461 V462 L465S136-L398 PolarHBondContact OG-O 2.78Å; T395-L398 PolarHBondContact O-N 3.49Å; E396-L398 PolarHBondContact O-N 2.98Å; L398-A461 HydrophobicContact CD1-CB 3.76Å; L398-V462 HydrophobicContact CD1-CB 4.3Å; L398-V462 HydrophobicContact CD1-CG2 3.42Å; L398-V462 VanDerWaalsContact CD1-CG2 3.42Å; L398-L465 HydrophobicContact CD1-CD1 4.01Å; L398-L465 HydrophobicContact CD2-CD1 3.45Å; L398-L465 VanDerWaalsContact CD2-CD1 3.45Å; L398-L465 HydrophobicContact CD2-CG 4.37Å; L398-L465 HydrophobicContact CG-CD1 3.92Å
399P78.5Confident67.4Low39 Ų3967.1 Ų67.125%0.25337%0.371SS..PPolyproline II helixtrans-53.5138.9173.4-21.631.5000110.2Q134 Q401Q134-P399 HydrophobicContact CB-CB 4.31Å; Q134-P399 HydrophobicContact CG-CB 4.1Å; Q134-P399 VanDerWaalsContact O-CG 3.32Å; Q134-P399 WeakPolarHBondContact O-CG 3.49Å; P399-Q401 PolarHBondContact O-N 2.95Å; P399-Q401 VanDerWaalsContact O-N 3.11Å; P399-Q401 PolarHBondContact O-NE2 2.77Å; P399-Q401 VanDerWaalsContact O-NE2 3.1Å
400P69.5Low64.2Low78 Ų7875.2 Ų75.251%0.50641%0.406SS..PPolyproline II helixtrans-55.2121.9179.716.5-26.8000109.7
401Q62.8Low61Low118 Ų11882.3 Ų82.355%0.55144%0.443SS*.PPolyproline II helixtrans-73.3142.9178.6-61.8-61-54.500108.9P399P399-Q401 PolarHBondContact O-N 2.95Å; P399-Q401 VanDerWaalsContact O-N 3.11Å; P399-Q401 PolarHBondContact O-NE2 2.77Å; P399-Q401 VanDerWaalsContact O-NE2 3.1Å
402P54.3Low57.7Low106 Ų10688.4 Ų88.469%0.68848%0.475SS*.PPolyproline II helixtrans-55.3138.417422.4-31.3000109.2R404P402-R404 PolarHBondContact O-N 2.83Å
403P43.4Very low54.4Low104 Ų10493.2 Ų93.268%0.67550%0.503SS*.PPolyproline II helixtrans-53.8129.4-176.619.6-30.6000109.4K405P403-K405 PolarHBondContact O-N 3.06Å
404R39.1Very low51.1Low170 Ų17097.9 Ų97.964%0.64253%0.534SS*.PPolyproline II helixtrans-56.6133168.2-74.8-178.3173.3171.4-1.7106.2P402 N406 S407 P460P402-R404 PolarHBondContact O-N 2.83Å; R404-N406 PolarHBondContact O-N 3.08Å; R404-S407 PolarHBondContact O-N 3.43Å; R404-P460 VanDerWaalsContact NH2-CD 3.34Å
405K35.7Very low47.8Very low210 Ų210106.4 Ų106.491%0.91357%0.573SS**THydrogen-bonded Turntrans-52.67.8-174.2-76.6-177.4173.1-179.70117P403P403-K405 PolarHBondContact O-N 3.06Å
406N30.2Very low44.8Very low153 Ų153113.9 Ų113.982%0.81860%0.6SS**THydrogen-bonded Turntrans-112.51.3-174.6-67.54.7000114.7R404R404-N406 PolarHBondContact O-N 3.08Å
407S30.8Very low41.9Very low57 Ų57115.8 Ų115.840%0.39963%0.632SS.*  trans-93.9100.3167.652.60000109.3R404 S409R404-S407 PolarHBondContact O-N 3.43Å; S407-S409 PolarHBondContact O-N 2.88Å
408S27.1Very low38.8Very low127 Ų127118.8 Ų118.889%0.88866%0.656SS**  trans-69.953.2170.5-59.10000111.3K410S408-K410 PolarHBondContact O-N 2.8Å
409S29.5Very low35.9Very low53 Ų53126 Ų12637%0.37169%0.689SS.*  trans-86.794.5164.555.60000106.8S407 L411S407-S409 PolarHBondContact O-N 2.88Å; S409-L411 VanDerWaalsContact C-N 3.31Å; S409-L411 PolarHBondContact O-N 2.86Å
410K25.3Very low33.5Very low171 Ų171130 Ų13074%0.74371%0.713SS**  trans-60.9100.4162.6-74.8-179.4178.9178.20106.6S408 L412S408-K410 PolarHBondContact O-N 2.8Å; K410-L412 HydrophobicContact CB-CD1 4.4Å; K410-L412 PolarHBondContact O-N 3.3Å
411L27.1Very low31.6Very low150 Ų150131.5 Ų131.579%0.78572%0.716SS**  trans-63.989.1151.9-103.499.7000105.6S409 V413S409-L411 VanDerWaalsContact C-N 3.31Å; S409-L411 PolarHBondContact O-N 2.86Å; L411-V413 VanDerWaalsContact C-N 3.33Å; L411-V413 PolarHBondContact O-N 2.9Å; L411-V413 VanDerWaalsContact O-N 3.12Å
412L24.8Very low30.3Very low129 Ų129129.5 Ų129.568%0.67571%0.712SS**  trans-67.3104.5157.5-94.7132.4000105.4K410K410-L412 HydrophobicContact CB-CD1 4.4Å; K410-L412 PolarHBondContact O-N 3.3Å
413V24.8Very low29.4Very low117 Ų117128 Ų12871%0.70970%0.695SS**  trans-45.5129162177.90000107L411 E415L411-V413 VanDerWaalsContact C-N 3.33Å; L411-V413 PolarHBondContact O-N 2.9Å; L411-V413 VanDerWaalsContact O-N 3.12Å; V413-E415 PolarHBondContact O-N 3.46Å
414P25.7Very low29.1Very low98 Ų98126.1 Ų126.164%0.63668%0.684SS**  trans-59128.4177.2-1.58.5000107.8K416P414-K416 PolarHBondContact O-N 2.9Å
415E24.7Very low29Very low179 Ų179124.4 Ų124.484%0.83669%0.688SS**  trans-52.2130.5171.5-74.2-171.815100108.8V413 G417V413-E415 PolarHBondContact O-N 3.46Å; E415-G417 PolarHBondContact O-N 3.25Å
416K24.6Very low29.4Very low222 Ų222115.8 Ų115.897%0.96565%0.653SS**THydrogen-bonded Turntrans-54.2101.8173.7-79.8179.5171.5-179.90108.6P414P414-K416 PolarHBondContact O-N 2.9Å
417G26.3Very low30Very low84 Ų84109.9 Ų109.987%0.86662%0.623SS**THydrogen-bonded Turntrans161.5-6.3175.600000118.5E415E415-G417 PolarHBondContact O-N 3.25Å
418S24.7Very low30.7Very low100 Ų100113 Ų11370%0.69963%0.627SS**SBendtrans-112.4128.9178.3-176.20000110.6V420S418-V420 PolarHBondContact O-N 3.41Å
419Q26Very low31.4Very low180 Ų180108.4 Ų108.484%0.84160%0.597SS**  trans-49.8125.8164.6-80.6177-12.800107.9D421Q419-D421 VanDerWaalsContact C-N 3.32Å; Q419-D421 PolarHBondContact O-N 3.28Å
420V27.3Very low32.3Very low125 Ų125112.9 Ų112.976%0.75862%0.617SS**  trans-6893.9180179.30000107S418 T422S418-V420 PolarHBondContact O-N 3.41Å; V420-T422 PolarHBondContact O-N 3.49Å
421D29Very low33.7Very low108 Ų108107.5 Ų107.558%0.57860%0.601SS**  trans-62.8115.1162.3-99.5-12.7000107.1Q419 F423 S424Q419-D421 VanDerWaalsContact C-N 3.32Å; Q419-D421 PolarHBondContact O-N 3.28Å; D421-F423 PolarHBondContact O-N 3.19Å; D421-S424 WeakPolarHBondContact O-CB 3.42Å; D421-S424 PolarHBondContact O-N 3.07Å; D421-S424 PolarHBondContact O-OG 2.9Å
422T35.3Very low35Very low77 Ų77107.3 Ų107.347%0.47260%0.6SS.*THydrogen-bonded Turntrans-64.811.6-159.2-28.90000116.3V420V420-T422 PolarHBondContact O-N 3.49Å
423F36.8Very low37.2Very low75 Ų75102.9 Ų102.933%0.32958%0.581SS.*THydrogen-bonded Turntrans-149.315.4173.4-84.2-84000113.4R174 E199 Q255 D421 D425R174-F423 VanDerWaalsContact NH2-CZ 3.28Å; E199-F423 HydrophobicContact CB-CD2 4.43Å; E199-F423 HydrophobicContact CB-CE2 3.57Å; E199-F423 HydrophobicContact CB-CZ 4.25Å; Q255-F423 HydrophobicContact CG-CG 4.46Å; D421-F423 PolarHBondContact O-N 3.19Å; F423-D425 PolarHBondContact O-N 2.82Å
424S36.1Very low39.9Very low63 Ų6398.2 Ų98.244%0.44155%0.552SS.*  trans-83.9-0.3-166.260.30000116.8D421 V426D421-S424 WeakPolarHBondContact O-CB 3.42Å; D421-S424 PolarHBondContact O-N 3.07Å; D421-S424 PolarHBondContact O-OG 2.9Å; S424-V426 PolarHBondContact O-N 2.79Å
425D38.2Very low42.8Very low134 Ų13494.5 Ų94.572%0.71753%0.526SS*.  trans-79.398.2178.1-86.7-20.9000111.6F423 S427F423-D425 PolarHBondContact O-N 2.82Å; D425-S427 PolarHBondContact O-N 2.9Å; D425-S427 VanDerWaalsContact O-N 3.1Å
426V42.1Very low45.5Very low30 Ų3089 Ų8918%0.18251%0.507CS..  trans-61.4109.3170.2179.70000109.4M258 Q263 S424 Y428M258-V426 HydrophobicContact CE-CB 3.74Å; M258-V426 HydrophobicContact CE-CG1 3.58Å; M258-V426 HydrophobicContact CE-CG2 3.56Å; M258-V426 HydrophobicContact SD-CG2 4.07Å; Q263-V426 HydrophobicContact CB-CG1 3.81Å; Q263-V426 HydrophobicContact CG-CG1 3.67Å; S424-V426 PolarHBondContact O-N 2.79Å; V426-Y428 PolarHBondContact O-N 3.06Å
427S43.1Very low48.4Very low28 Ų2880.1 Ų80.120%0.19647%0.467CS..PPolyproline II helixtrans-65.1124.4177.367.10000110S262 R280 D425S262-S427 PolarHBondContact OG-O 3.33Å; R280-S427 PolarHBondContact NH1-OG 2.9Å; D425-S427 PolarHBondContact O-N 2.9Å; D425-S427 VanDerWaalsContact O-N 3.1Å
428Y46.4Very low50.5Low122 Ų12278.1 Ų78.148%0.47844%0.436SS..PPolyproline II helixtrans-74.3134166.7-65.2-88.3000108.8V426V426-Y428 PolarHBondContact O-N 3.06Å
429A41.4Very low52.3Low32 Ų3279.5 Ų79.526%0.26444%0.435SS..PPolyproline II helixtrans-71.9147.8-173.500000114.2S262 F435S262-A429 PolarHBondContact OG-N 3.45Å; A429-F435 HydrophobicContact CB-CE2 3.49Å; A429-F435 VanDerWaalsContact CB-CE2 3.49Å; A429-F435 HydrophobicContact CB-CZ 3.36Å
430D48Very low53.6Low146 Ų14677.8 Ų77.878%0.78142%0.422SS*.SBendtrans-83.8-3.1-175-74.3-41.2000114.7
431S54.4Low54.2Low58 Ų5877.7 Ų77.741%0.40643%0.425SS..  trans-161.5132.1179-176.90000112.5S433 D434S431-S433 PolarHBondContact O-N 3.39Å; S431-S433 PolarHBondContact OG-N 2.68Å; S431-S433 PolarHBondContact OG-OG 3.11Å; S431-D434 PolarHBondContact O-N 3.33Å; S431-D434 VanDerWaalsContact O-N 3.14Å
432D54.9Low55Low146 Ų14676.5 Ų76.578%0.78142%0.422SS*.G310 helixtrans-56.3-24.1175.1-79.3-22.5000113.1D434 F435D432-D434 PolarHBondContact O-N 3.31Å; D432-F435 PolarHBondContact O-N 3.18Å
433S71.6Confident55.2Low37 Ų3782 Ų8226%0.25944%0.443SS..G310 helixtrans-67.5-15.1179.766.90000114.6S431 F435 S436S431-S433 PolarHBondContact O-N 3.39Å; S431-S433 PolarHBondContact OG-N 2.68Å; S431-S433 PolarHBondContact OG-OG 3.11Å; S433-F435 PolarHBondContact O-N 3.07Å; S433-S436 PolarHBondContact O-OG 2.94Å; S433-S436 VanDerWaalsContact O-OG 3.09Å
434D82.2Confident55.4Low19 Ų1980.8 Ų80.810%0.10244%0.443CS..G310 helixtrans-72.2-15.6178.5-95.50.8000113.2N281 S282 S431 D432N281-D434 VanDerWaalsContact CB-O 3.22Å; N281-D434 WeakPolarHBondContact CB-O 3.33Å; N281-D434 PolarHBondContact N-O 2.84Å; N281-D434 VanDerWaalsContact N-O 3.07Å; S282-D434 WeakPolarHBondContact CB-OD1 3.41Å; S282-D434 PolarHBondContact N-OD1 3.1Å; S282-D434 PolarHBondContact OG-OD1 2.91Å; S282-D434 VanDerWaalsContact OG-OD1 3.13Å; S282-D434 PolarHBondContact OG-OD2 3.35Å; S431-D434 PolarHBondContact O-N 3.33Å; S431-D434 VanDerWaalsContact O-N 3.14Å; D432-D434 PolarHBondContact O-N 3.31Å
435F84.7Confident55.7Low20 Ų2084.6 Ų84.69%0.08846%0.464CS..G310 helixtrans-115.814.3-175-48.6-66.7000113.3L264 R280 A429 D432 S433 Y437L264-F435 HydrophobicContact CD1-CD1 3.78Å; L264-F435 HydrophobicContact CD1-CD2 4.05Å; L264-F435 HydrophobicContact CD1-CE1 3.72Å; L264-F435 HydrophobicContact CD1-CE2 3.98Å; L264-F435 HydrophobicContact CD1-CG 3.91Å; L264-F435 HydrophobicContact CD1-CZ 3.8Å; L264-F435 HydrophobicContact CD2-CD2 3.87Å; L264-F435 HydrophobicContact CD2-CE2 4.08Å; L264-F435 HydrophobicContact CD2-CG 4.29Å; L264-F435 HydrophobicContact CG-CD2 4.28Å; L264-F435 HydrophobicContact CG-CE2 4.08Å; L264-F435 HydrophobicContact CG-CZ 4.25Å; R280-F435 HydrophobicContact CG-CE1 3.98Å; R280-F435 HydrophobicContact CG-CZ 4.36Å; A429-F435 HydrophobicContact CB-CE2 3.49Å; A429-F435 VanDerWaalsContact CB-CE2 3.49Å; A429-F435 HydrophobicContact CB-CZ 3.36Å; D432-F435 PolarHBondContact O-N 3.18Å; S433-F435 PolarHBondContact O-N 3.07Å; F435-Y437 WeakPolarHBondContact CD1-OH 3.25Å; F435-Y437 PolarHBondContact O-N 3.22Å
436S82.3Confident55.9Low63 Ų6385.4 Ų85.444%0.44146%0.463SS..  trans-87.997.9171.362.10000109.6S433S433-S436 PolarHBondContact O-OG 2.94Å; S433-S436 VanDerWaalsContact O-OG 3.09Å
437Y85.8Confident56.4Low35 Ų3589.2 Ų89.214%0.13749%0.487CS..PPolyproline II helixtrans-95.2151.9-179.5-43.6-56.9000111.6W230 R231 P279 G315 L316 F435W230-Y437 HydrophobicContact CE3-CD2 4.5Å; W230-Y437 HydrophobicContact CE3-CE2 4.36Å; W230-Y437 HydrophobicContact CH2-CD1 4.22Å; W230-Y437 HydrophobicContact CH2-CG 4.25Å; W230-Y437 AromaticContact CZ3-CD1 3.66Å; W230-Y437 HydrophobicContact CZ3-CD1 3.66Å; W230-Y437 AromaticContact CZ3-CD2 3.95Å; W230-Y437 HydrophobicContact CZ3-CD2 3.95Å; W230-Y437 AromaticContact CZ3-CE1 3.81Å; W230-Y437 HydrophobicContact CZ3-CE1 3.81Å; W230-Y437 HydrophobicContact CZ3-CE2 4.06Å; W230-Y437 AromaticContact CZ3-CG 3.72Å; W230-Y437 HydrophobicContact CZ3-CG 3.72Å; W230-Y437 AromaticContact CZ3-CZ 3.99Å; R231-Y437 HydrophobicContact CB-CD2 3.72Å; R231-Y437 HydrophobicContact CB-CE2 4.45Å; R231-Y437 HydrophobicContact CB-CG 4.39Å; R231-Y437 HydrophobicContact CG-CD2 3.92Å; R231-Y437 HydrophobicContact CG-CG 4.11Å; R231-Y437 WeakPolarHBondContact O-CD2 3.46Å; R231-Y437 WeakPolarHBondContact O-CE2 3.43Å; P279-Y437 WeakPolarHBondContact CD-OH 3.23Å; P279-Y437 HydrophobicContact CG-CE1 4.09Å; P279-Y437 PolarHBondContact O-OH 3.25Å; G315-Y437 WeakPolarHBondContact O-CA 3.44Å; L316-Y437 HydrophobicContact CD2-CD1 3.85Å; L316-Y437 HydrophobicContact CD2-CE1 4.03Å; F435-Y437 WeakPolarHBondContact CD1-OH 3.25Å; F435-Y437 PolarHBondContact O-N 3.22Å
438E70.8Confident56.9Low43 Ų4389.6 Ų89.620%0.20149%0.488CS..PPolyproline II helixtrans-81.5140.1170.4-88.7-176.3159.800112.6R231 G315 R317R231-E438 PolarHBondContact NE-O 3.41Å; G315-E438 PolarHBondContact O-N 2.8Å; R317-E438 HydrophobicContact CG-CG 4.33Å; R317-E438 VanDerWaalsContact CZ-CG 3.48Å; R317-E438 IonicContact CZ-OE1 3.54Å; R317-E438 IonicContact NE-OE1 3.09Å; R317-E438 PolarHBondContact NE-OE1 2.81Å; R317-E438 IonicContact NE-OE2 2.76Å; R317-E438 VanDerWaalsContact NH2-CD 3.26Å; R317-E438 IonicContact NH2-OE1 3.37Å; R317-E438 PolarHBondContact NH2-OE1 2.74Å
439D61.2Low57.4Low128 Ų12886.8 Ų86.868%0.68449%0.486SS*.PPolyproline II helixtrans-77.2149163.1-73.8-28.1000110.3C441D439-C441 PolarHBondContact O-N 3.42Å
440Y54.2Low58Low145 Ų14587.8 Ų87.857%0.56949%0.494SS*.THydrogen-bonded Turntrans-58.41.3-173.3-81-80.1000116.4R231 N314R231-Y440 PolarHBondContact NH2-OH 3.41Å; N314-Y440 HydrophobicContact CB-CE1 4.1Å
441C40.1Very low58.5Low122 Ų12287.8 Ų87.882%0.82449%0.494SS*.THydrogen-bonded Turntrans-1062.3-167-71.90000116.2D439D439-C441 PolarHBondContact O-N 3.42Å
442T45Very low59Low83 Ų8388.4 Ų88.451%0.50949%0.49SS..  trans-102.984.917333.20000111.2S444T442-S444 PolarHBondContact O-N 3.18Å
443E40.3Very low60.1Low194 Ų19481.8 Ų81.891%0.90746%0.455SS*.  trans-68.942.8161.4-69.6-17315900111.5T445E443-T445 PolarHBondContact O-N 3.43Å
444S41.2Very low60.4Low49 Ų4983.4 Ų83.434%0.34346%0.463SS..  trans-79.1112.4169.553.20000108.6K309 T442 E446K309-S444 PolarHBondContact NZ-O 2.85Å; T442-S444 PolarHBondContact O-N 3.18Å; S444-E446 PolarHBondContact O-N 3.4Å; S444-E446 VanDerWaalsContact O-N 3.11Å
445T42.3Very low60.2Low143 Ų14383.7 Ų83.788%0.87747%0.466SS*.  trans-64.60.1165.8350000112.7E443 T447E443-T445 PolarHBondContact O-N 3.43Å; T445-T447 PolarHBondContact O-N 2.77Å
446E41.5Very low59.8Low150 Ų15088.7 Ų88.770%0.70149%0.492SS*.  trans-65.5119176.9-68.2-172.416300110.6S444 V448S444-E446 PolarHBondContact O-N 3.4Å; S444-E446 VanDerWaalsContact O-N 3.11Å; E446-V448 PolarHBondContact O-N 3.02Å
447T52Low59.7Low111 Ų11190.3 Ų90.368%0.68150%0.501SS*.  trans-44.9135.3158.943.40000109.5T445 S449T445-T447 PolarHBondContact O-N 2.77Å; T447-S449 PolarHBondContact O-N 3.09Å
448V55.3Low59.7Low36 Ų3689.4 Ų89.422%0.21850%0.499CS..  trans-39.3117179.5176.10000110.2E446 A450 E452 D453E446-V448 PolarHBondContact O-N 3.02Å; V448-A450 PolarHBondContact O-N 3Å; V448-E452 HydrophobicContact CG1-CB 3.68Å; V448-D453 HydrophobicContact CG1-CB 4.47Å
449S55.7Low60.6Low62 Ų6289.4 Ų89.443%0.43450%0.503SS..  trans-48.5139-177172.90000110.2T447 L451 E452T447-S449 PolarHBondContact O-N 3.09Å; S449-L451 PolarHBondContact O-N 3.11Å; S449-E452 PolarHBondContact O-N 3.34Å
450A55.5Low62Low53 Ų5387 Ų8744%0.43850%0.495SS..THydrogen-bonded Turntrans-52.7-23.6179.100000114.2V448V448-A450 PolarHBondContact O-N 3Å
451L57.7Low63.7Low147 Ų14781.5 Ų81.577%0.7748%0.479SS*.THydrogen-bonded Turntrans-72.5-24.2174.6-81.1111.5000114.3S449 V454S449-L451 PolarHBondContact O-N 3.11Å; L451-V454 VanDerWaalsContact O-CG2 3.26Å; L451-V454 WeakPolarHBondContact O-CG2 3.4Å
452E65.8Low66.2Low71 Ų7175.7 Ų75.733%0.33244%0.439SS..THydrogen-bonded Turntrans-90.8-22.8-177.9-71.9-165.4178.200113.7R317 R322 V448 S449R317-E452 IonicContact CZ-OE2 2.9Å; R317-E452 VanDerWaalsContact NH1-CD 3.28Å; R317-E452 IonicContact NH1-OE1 2.85Å; R317-E452 PolarHBondContact NH1-OE1 3.36Å; R317-E452 IonicContact NH1-OE2 2.83Å; R317-E452 PolarHBondContact NH1-OE2 3.01Å; R322-E452 VanDerWaalsContact CZ-O 3.27Å; R322-E452 PolarHBondContact NH1-O 3.3Å; V448-E452 HydrophobicContact CG1-CB 3.68Å; S449-E452 PolarHBondContact O-N 3.34Å
453D77.9Confident68.4Low6 Ų672.7 Ų72.73%0.03242%0.422CS..SBendtrans-101.640.4178.9-164.519.4000112.4K319 L320 R321 R322 V448K319-D453 WeakPolarHBondContact CB-OD1 3.47Å; L320-D453 WeakPolarHBondContact CB-OD2 3.31Å; L320-D453 PolarHBondContact N-OD2 2.97Å; R321-D453 WeakPolarHBondContact CB-OD1 3.45Å; R321-D453 PolarHBondContact N-OD1 2.72Å; R321-D453 PolarHBondContact N-OD2 2.86Å; R322-D453 PolarHBondContact N-OD1 2.75Å; R322-D453 VanDerWaalsContact N-OD1 3.12Å; V448-D453 HydrophobicContact CG1-CB 4.47Å
454V77.5Confident70.9Confident71 Ų7167.2 Ų67.243%0.4341%0.405SS..PPolyproline II helixtrans-74.6125.9176.9178.20000109.2R322 L451R322-V454 PolarHBondContact NE-O 3.26Å; R322-V454 PolarHBondContact NH2-O 3.3Å; L451-V454 VanDerWaalsContact O-CG2 3.26Å; L451-V454 WeakPolarHBondContact O-CG2 3.4Å
455P77.7Confident73.3Confident25 Ų2566.6 Ų66.616%0.16240%0.397CS..PPolyproline II helixtrans-64.4150.218031.2-39.6000111.3C326 P388C326-P455 HydrophobicContact CB-CB 4.42Å; C326-P455 VanDerWaalsContact SG-CB 3.54Å; P388-P455 HydrophobicContact CB-CB 3.7Å; P388-P455 HydrophobicContact CB-CG 4.19Å; P388-P455 HydrophobicContact CG-CB 4.05Å; P388-P455 HydrophobicContact CG-CG 3.96Å
456I75.9Confident75.7Confident125 Ų12559.8 Ų59.864%0.64136%0.356SS*.PPolyproline II helixtrans-67.2138170.6-60.5174.2000108.2T458I456-T458 PolarHBondContact O-N 3.44Å
457P80.8Confident78.1Confident97 Ų9756.4 Ų56.463%0.6334%0.342SS*.PPolyproline II helixtrans-58.2132.6176.1-24.333.4000111.9
458T86Confident79.9Confident17 Ų1757.5 Ų57.510%0.10434%0.338CS..PPolyproline II helixtrans-55.8133.6176.7-52.60000110.7P388 I456 V462 L466P388-T458 WeakPolarHBondContact CA-OG1 3.37Å; I456-T458 PolarHBondContact O-N 3.44Å; T458-V462 HydrophobicContact CG2-CB 3.72Å; T458-V462 HydrophobicContact CG2-CG1 3.57Å; T458-L466 HydrophobicContact CG2-CD1 4.45Å
459P89.1Confident81.6Confident42 Ų4257.9 Ų57.927%0.27334%0.336SS..PPolyproline II helixtrans-58.5141.8177.9-24.933.6000111.8T395 A461 V462 C463T395-P459 HydrophobicContact CG2-CG 4.45Å; P459-A461 PolarHBondContact O-N 3.14Å; P459-A461 VanDerWaalsContact O-N 3.15Å; P459-V462 HydrophobicContact CB-CB 4.47Å; P459-V462 HydrophobicContact CB-CG2 4.09Å; P459-V462 HydrophobicContact CG-CG2 4.16Å; P459-V462 WeakPolarHBondContact O-CA 3.39Å; P459-V462 WeakPolarHBondContact O-CB 3.49Å; P459-V462 PolarHBondContact O-N 2.85Å; P459-C463 PolarHBondContact O-N 2.83Å
460P90.5Very high83.3Confident79 Ų7955.2 Ų55.251%0.51332%0.318SS..Hα-helixtrans-56.7-35.3-177.2-27.534.4000114.1R404 V462 C463 S464R404-P460 VanDerWaalsContact NH2-CD 3.34Å; P460-V462 VanDerWaalsContact C-N 3.34Å; P460-C463 PolarHBondContact O-N 3.42Å; P460-S464 PolarHBondContact O-N 2.98Å; P460-S464 PolarHBondContact O-OG 3.19Å
461A90.3Very high85Confident28 Ų2860.5 Ų60.523%0.23133%0.327CS..Hα-helixtrans-63.4-40.3175.900000111.7L398 P459 S464 L465L398-A461 HydrophobicContact CD1-CB 3.76Å; P459-A461 PolarHBondContact O-N 3.14Å; P459-A461 VanDerWaalsContact O-N 3.15Å; A461-S464 PolarHBondContact O-N 3.3Å; A461-L465 PolarHBondContact O-N 2.97Å; A461-L465 VanDerWaalsContact O-N 3.14Å
462V92.3Very high86.5Confident0 Ų056 Ų560%030%0.303CS..Hα-helixtrans-68-44.2174.1179.90000110.5L394 L398 T458 P459 P460 S464 L465 L466L394-V462 HydrophobicContact CB-CG1 4.08Å; L394-V462 HydrophobicContact CD1-CG1 4.28Å; L398-V462 HydrophobicContact CD1-CB 4.3Å; L398-V462 HydrophobicContact CD1-CG2 3.42Å; L398-V462 VanDerWaalsContact CD1-CG2 3.42Å; T458-V462 HydrophobicContact CG2-CB 3.72Å; T458-V462 HydrophobicContact CG2-CG1 3.57Å; P459-V462 HydrophobicContact CB-CB 4.47Å; P459-V462 HydrophobicContact CB-CG2 4.09Å; P459-V462 HydrophobicContact CG-CG2 4.16Å; P459-V462 WeakPolarHBondContact O-CA 3.39Å; P459-V462 WeakPolarHBondContact O-CB 3.49Å; P459-V462 PolarHBondContact O-N 2.85Å; P460-V462 VanDerWaalsContact C-N 3.34Å; V462-S464 VanDerWaalsContact C-N 3.28Å; V462-S464 PolarHBondContact O-N 3.44Å; V462-L465 WeakPolarHBondContact O-CB 3.43Å; V462-L465 PolarHBondContact O-N 3.03Å; V462-L465 VanDerWaalsContact O-N 3.16Å; V462-L466 HydrophobicContact CG1-CD1 3.96Å; V462-L466 HydrophobicContact CG1-CG 4.18Å; V462-L466 WeakPolarHBondContact O-CB 3.35Å; V462-L466 WeakPolarHBondContact O-CG 3.4Å; V462-L466 PolarHBondContact O-N 2.86Å
463C92Very high87.4Confident21 Ų2156.2 Ų56.214%0.14231%0.306CS..Hα-helixtrans-56-43.6175.2-63.90000111.7E387 P459 P460 L465 L466 N467E387-C463 PolarHBondContact OE1-SG 2.86Å; P459-C463 PolarHBondContact O-N 2.83Å; P460-C463 PolarHBondContact O-N 3.42Å; C463-L465 PolarHBondContact O-N 3.46Å; C463-L466 PolarHBondContact O-N 3.34Å; C463-N467 WeakPolarHBondContact O-CB 3.44Å; C463-N467 PolarHBondContact O-N 2.97Å; C463-N467 PolarHBondContact O-ND2 3.1Å; C463-N467 PolarHBondContact O-OD1 3.37Å
464S91.7Very high87.6Confident79 Ų7962 Ų6255%0.55234%0.337SS*.Hα-helixtrans-62.6-41.4177.7-67.50000112.6P460 A461 V462 K468P460-S464 PolarHBondContact O-N 2.98Å; P460-S464 PolarHBondContact O-OG 3.19Å; A461-S464 PolarHBondContact O-N 3.3Å; V462-S464 VanDerWaalsContact C-N 3.28Å; V462-S464 PolarHBondContact O-N 3.44Å; S464-K468 PolarHBondContact O-N 3.08Å
465L91.3Very high87.4Confident35 Ų3560.9 Ų60.918%0.18333%0.332CS..Hα-helixtrans-62.3-48.7172.8-75.2179.1000111.5V371 L398 A461 V462 C463 N467 K468 F469V371-L465 HydrophobicContact CG1-CD1 4.25Å; V371-L465 HydrophobicContact CG2-CD1 4.02Å; L398-L465 HydrophobicContact CD1-CD1 4.01Å; L398-L465 HydrophobicContact CD2-CD1 3.45Å; L398-L465 VanDerWaalsContact CD2-CD1 3.45Å; L398-L465 HydrophobicContact CD2-CG 4.37Å; L398-L465 HydrophobicContact CG-CD1 3.92Å; A461-L465 PolarHBondContact O-N 2.97Å; A461-L465 VanDerWaalsContact O-N 3.14Å; V462-L465 WeakPolarHBondContact O-CB 3.43Å; V462-L465 PolarHBondContact O-N 3.03Å; V462-L465 VanDerWaalsContact O-N 3.16Å; C463-L465 PolarHBondContact O-N 3.46Å; L465-N467 VanDerWaalsContact C-N 3.3Å; L465-N467 PolarHBondContact O-N 3.15Å; L465-K468 WeakPolarHBondContact O-CB 3.38Å; L465-K468 PolarHBondContact O-N 3.23Å; L465-F469 HydrophobicContact CD2-CE2 3.99Å; L465-F469 WeakPolarHBondContact O-CD2 3.49Å; L465-F469 PolarHBondContact O-N 3.44Å; L465-F469 VanDerWaalsContact O-N 3.08Å
466L93.3Very high86.9Confident0 Ų064.6 Ų64.60%036%0.359CS..Hα-helixtrans-59.6-41.2-179.9-71.3178.2000111.7L375 E387 I390 L394 T458 V462 C463 K468 F469 C470 L481L375-L466 HydrophobicContact CD2-CD2 4.24Å; E387-L466 HydrophobicContact CG-CD1 3.93Å; I390-L466 HydrophobicContact CG1-CD2 4.49Å; I390-L466 HydrophobicContact CG2-CD1 4.02Å; I390-L466 HydrophobicContact CG2-CD2 4.08Å; L394-L466 HydrophobicContact CD1-CD2 3.45Å; L394-L466 VanDerWaalsContact CD1-CD2 3.45Å; L394-L466 HydrophobicContact CD1-CG 4.08Å; T458-L466 HydrophobicContact CG2-CD1 4.45Å; V462-L466 HydrophobicContact CG1-CD1 3.96Å; V462-L466 HydrophobicContact CG1-CG 4.18Å; V462-L466 WeakPolarHBondContact O-CB 3.35Å; V462-L466 WeakPolarHBondContact O-CG 3.4Å; V462-L466 PolarHBondContact O-N 2.86Å; C463-L466 PolarHBondContact O-N 3.34Å; L466-K468 VanDerWaalsContact C-N 3.25Å; L466-K468 PolarHBondContact O-N 3.06Å; L466-F469 PolarHBondContact O-N 2.91Å; L466-C470 WeakPolarHBondContact O-CA 3.43Å; L466-C470 VanDerWaalsContact O-CB 3.22Å; L466-C470 WeakPolarHBondContact O-CB 3.41Å; L466-C470 PolarHBondContact O-N 3.49Å; L466-L481 HydrophobicContact CB-CD2 3.69Å; L466-L481 HydrophobicContact CD1-CD2 3.9Å; L466-L481 HydrophobicContact CD2-CD2 3.86Å; L466-L481 HydrophobicContact CG-CD2 4.02Å
467N91.7Very high86.5Confident79 Ų7960.9 Ų60.942%0.42234%0.342SS..Hα-helixtrans-61.4-32.2174.5-67.5-17000113C463 L465 I472C463-N467 WeakPolarHBondContact O-CB 3.44Å; C463-N467 PolarHBondContact O-N 2.97Å; C463-N467 PolarHBondContact O-ND2 3.1Å; C463-N467 PolarHBondContact O-OD1 3.37Å; L465-N467 VanDerWaalsContact C-N 3.3Å; L465-N467 PolarHBondContact O-N 3.15Å; N467-I472 HydrophobicContact CB-CD1 4.43Å; N467-I472 WeakPolarHBondContact OD1-CD1 3.03Å
468K90.9Very high86.3Confident135 Ų13558 Ų5859%0.58733%0.33SS*.Hα-helixtrans-72.8-46.7178.6-176.7179.5174-171.90111.1S464 L465 L466 R484S464-K468 PolarHBondContact O-N 3.08Å; L465-K468 WeakPolarHBondContact O-CB 3.38Å; L465-K468 PolarHBondContact O-N 3.23Å; L466-K468 VanDerWaalsContact C-N 3.25Å; L466-K468 PolarHBondContact O-N 3.06Å; K468-R484 PolarHBondContact O-NH1 3.12Å
469F89.7Confident86.3Confident43 Ų4362.7 Ų62.719%0.18935%0.346CS..Hα-helixtrans-98.3-19.1-168.7-65.4-70.3000115.6V371 E372 L375 L465 L466 R484V371-F469 HydrophobicContact CG1-CD2 4.18Å; V371-F469 HydrophobicContact CG1-CE2 4.18Å; E372-F469 HydrophobicContact CG-CD1 3.94Å; E372-F469 HydrophobicContact CG-CE1 3.45Å; E372-F469 VanDerWaalsContact CG-CE1 3.45Å; E372-F469 HydrophobicContact CG-CZ 3.98Å; E372-F469 WeakPolarHBondContact OE1-CE1 3.4Å; E372-F469 WeakPolarHBondContact OE1-CZ 3.18Å; L375-F469 HydrophobicContact CD1-CB 3.43Å; L375-F469 VanDerWaalsContact CD1-CB 3.43Å; L375-F469 HydrophobicContact CD1-CD2 4.1Å; L375-F469 HydrophobicContact CD1-CG 3.89Å; L465-F469 HydrophobicContact CD2-CE2 3.99Å; L465-F469 WeakPolarHBondContact O-CD2 3.49Å; L465-F469 PolarHBondContact O-N 3.44Å; L465-F469 VanDerWaalsContact O-N 3.08Å; L466-F469 PolarHBondContact O-N 2.91Å; F469-R484 WeakPolarHBondContact O-CB 3.4Å
470C92.4Very high86.2Confident6 Ų661.5 Ų61.54%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-117156.8-173.5-54.90000111.7F379 L466 L481F379-C470 HydrophobicContact CZ-CB 4.5Å; L466-C470 WeakPolarHBondContact O-CA 3.43Å; L466-C470 VanDerWaalsContact O-CB 3.22Å; L466-C470 WeakPolarHBondContact O-CB 3.41Å; L466-C470 PolarHBondContact O-N 3.49Å; C470-L481 HydrophobicContact CB-CB 4.16Å; C470-L481 HydrophobicContact CB-CD2 3.75Å; C470-L481 HydrophobicContact CB-CG 4.37Å
471R90.3Very high86.2Confident165 Ų16557.8 Ų57.862%0.62331%0.313SS*.EExtended strand (participates in β ladder)trans-91.2131.9164.7179.5-179.4-177.81702.6109.1L481 T482R471-L481 WeakPolarHBondContact O-CA 3.03Å; R471-T482 PolarHBondContact N-O 2.78Å; R471-T482 PolarHBondContact O-N 2.8Å; R471-T482 PolarHBondContact O-OG1 3.29Å
472I88.5Confident86.1Confident52 Ų5257.9 Ų57.927%0.26731%0.311SS..EExtended strand (participates in β ladder)trans-108.4128.3-174.5-55.3167.9000109.7N467 R479 L481N467-I472 HydrophobicContact CB-CD1 4.43Å; N467-I472 WeakPolarHBondContact OD1-CD1 3.03Å; I472-R479 HydrophobicContact CG2-CB 4.34Å; I472-R479 HydrophobicContact CG2-CG 4.37Å; I472-L481 HydrophobicContact CG1-CG 4.45Å
473N85.2Confident85.8Confident75 Ų7561.8 Ų61.840%0.40133%0.329SS..EExtended strand (participates in β ladder)trans-114.1119.7170.4-67.5-26.1000108.6L480N473-L480 PolarHBondContact N-O 3.33Å; N473-L480 PolarHBondContact O-N 3.08Å
474N82.7Confident85.3Confident129 Ų12967.9 Ų67.969%0.6935%0.349SS*.EExtended strand (participates in β ladder)trans-81.1128.6173.7-64.7-35.5000109R479N474-R479 WeakPolarHBondContact OD1-CG 2.94Å
475S72.7Confident83.9Confident47 Ų4772.3 Ų72.333%0.32936%0.361SS..EExtended strand (participates in β ladder)trans-125.1167.1172.974.10000110.3V477 G478S475-V477 PolarHBondContact O-N 2.83Å; S475-V477 VanDerWaalsContact O-N 3.1Å; S475-V477 PolarHBondContact OG-N 3.38Å; S475-G478 PolarHBondContact N-O 3.45Å; S475-G478 PolarHBondContact O-N 3.16Å; S475-G478 VanDerWaalsContact O-N 3.11Å; S475-G478 PolarHBondContact OG-N 2.92Å; S475-G478 PolarHBondContact OG-O 3.4Å
476S68.5Low81.9Confident103 Ų10376.3 Ų76.372%0.7239%0.391SS*.THydrogen-bonded Turntrans-58.3-20.7171.453.20000112.9
477V65.9Low79.2Confident46 Ų4689.7 Ų89.728%0.27945%0.449SS..THydrogen-bonded Turntrans-94.50.2-175.6-1530000112.2N349 I351 S475N349-V477 WeakPolarHBondContact O-CG1 3.33Å; I351-V477 HydrophobicContact CB-CG1 3.5Å; I351-V477 HydrophobicContact CG1-CG1 4.41Å; S475-V477 PolarHBondContact O-N 2.83Å; S475-V477 VanDerWaalsContact O-N 3.1Å; S475-V477 PolarHBondContact OG-N 3.38Å
478G77.9Confident78.6Confident37 Ų3790.2 Ų90.238%0.38145%0.451SS..EExtended strand (participates in β ladder)trans113.3-170.1-176.100000113.5S475S475-G478 PolarHBondContact N-O 3.45Å; S475-G478 PolarHBondContact O-N 3.16Å; S475-G478 VanDerWaalsContact O-N 3.11Å; S475-G478 PolarHBondContact OG-N 2.92Å; S475-G478 PolarHBondContact OG-O 3.4Å
479R84.8Confident77.9Confident115 Ų11587.8 Ų87.843%0.43444%0.444SS..EExtended strand (participates in β ladder)trans-85125.3-177.2-69.1-178.9175.9176.51.2111.3E387 I472 N474E387-R479 HydrophobicContact CB-CB 3.93Å; E387-R479 PolarHBondContact N-O 2.63Å; E387-R479 IonicContact OE1-NH1 2.93Å; E387-R479 WeakPolarHBondContact OE2-CD 3.35Å; E387-R479 IonicContact OE2-CZ 3.03Å; E387-R479 IonicContact OE2-NE 2.79Å; E387-R479 IonicContact OE2-NH1 2.61Å; E387-R479 PolarHBondContact OE2-NH1 3.1Å; E387-R479 VanDerWaalsContact OE2-NH1 3.08Å; I472-R479 HydrophobicContact CG2-CB 4.34Å; I472-R479 HydrophobicContact CG2-CG 4.37Å; N474-R479 WeakPolarHBondContact OD1-CG 2.94Å
480L88.1Confident77.3Confident18 Ų1890.3 Ų90.39%0.09446%0.458CS..EExtended strand (participates in β ladder)trans-109.2135.6175.5-65.8175.5000110I351 V384 W385 N473I351-L480 HydrophobicContact CD1-CD2 3.5Å; V384-L480 HydrophobicContact CG1-CB 4.16Å; V384-L480 HydrophobicContact CG1-CD1 4.5Å; V384-L480 HydrophobicContact CG1-CD2 4.15Å; W385-L480 CarbonylContact O-C 3.46Å; W385-L480 WeakPolarHBondContact O-CA 3.38Å; N473-L480 PolarHBondContact N-O 3.33Å; N473-L480 PolarHBondContact O-N 3.08Å
481L90Very high76.4Confident0 Ų095.3 Ų95.30%048%0.482CS..EExtended strand (participates in β ladder)trans-114141.2-177.5-64.788.1000110.6V384 W385 E387 I390 L466 C470 R471 I472V384-L481 WeakPolarHBondContact CA-O 3.37Å; W385-L481 PolarHBondContact N-O 3.08Å; W385-L481 PolarHBondContact O-N 3.11Å; E387-L481 HydrophobicContact CB-CD1 3.53Å; E387-L481 HydrophobicContact CG-CD1 4.01Å; I390-L481 HydrophobicContact CG2-CD1 4.13Å; I390-L481 HydrophobicContact CG2-CD2 4.24Å; L466-L481 HydrophobicContact CB-CD2 3.69Å; L466-L481 HydrophobicContact CD1-CD2 3.9Å; L466-L481 HydrophobicContact CD2-CD2 3.86Å; L466-L481 HydrophobicContact CG-CD2 4.02Å; C470-L481 HydrophobicContact CB-CB 4.16Å; C470-L481 HydrophobicContact CB-CD2 3.75Å; C470-L481 HydrophobicContact CB-CG 4.37Å; R471-L481 WeakPolarHBondContact O-CA 3.03Å; I472-L481 HydrophobicContact CG1-CG 4.45Å
482T88.9Confident75.5Confident31 Ų3190.9 Ų90.919%0.1947%0.474CS..EExtended strand (participates in β ladder)trans-130.5153.8175.247.20000109.1V384 R471 R484V384-T482 HydrophobicContact CG2-CG2 3.91Å; R471-T482 PolarHBondContact N-O 2.78Å; R471-T482 PolarHBondContact O-N 2.8Å; R471-T482 PolarHBondContact O-OG1 3.29Å; T482-R484 PolarHBondContact O-N 3.45Å
483Q85.9Confident74.6Confident82 Ų8293.5 Ų93.538%0.38349%0.487SS..EExtended strand (participates in β ladder)trans-59.4133.1178.4-163.4178.316.500110.1N376 F379 H485N376-Q483 PolarHBondContact OD1-NE2 3.37Å; N376-Q483 VanDerWaalsContact OD1-NE2 3.1Å; F379-Q483 HydrophobicContact CB-CB 4.14Å; F379-Q483 HydrophobicContact CB-CG 4.33Å; F379-Q483 HydrophobicContact CD1-CB 4.11Å; F379-Q483 HydrophobicContact CD2-CB 3.79Å; F379-Q483 HydrophobicContact CD2-CG 3.82Å; F379-Q483 HydrophobicContact CE1-CB 4.49Å; F379-Q483 HydrophobicContact CE2-CB 4.19Å; F379-Q483 HydrophobicContact CE2-CG 4.39Å; F379-Q483 HydrophobicContact CG-CB 3.75Å; F379-Q483 HydrophobicContact CG-CG 4.15Å; Q483-H485 PolarHBondContact O-N 3.42Å
484R81.1Confident73.9Confident149 Ų14994.9 Ų94.956%0.56249%0.493SS*.  trans-77.2113.8171-167.4174.7-174.1158.34.9107K468 F469 T482 S486K468-R484 PolarHBondContact O-NH1 3.12Å; F469-R484 WeakPolarHBondContact O-CB 3.4Å; T482-R484 PolarHBondContact O-N 3.45Å; R484-S486 PolarHBondContact O-N 3.41Å
485H62Low73.2Confident172 Ų17292.2 Ų92.280%0.79648%0.478SS*.  trans-58.7111.9170.9-73.8-71.3000108.6Q483 K487Q483-H485 PolarHBondContact O-N 3.42Å; H485-K487 PolarHBondContact O-N 3.24Å
486S50Low73.2Confident119 Ų11996 Ų9683%0.83249%0.491SS*.  trans-56120.8163.7-42.50000106.9R484R484-S486 PolarHBondContact O-N 3.41Å
487K36Very low73.7Confident280 Ų28095.4 Ų95.4100%1.21747%0.47SS*.  trans-68.40169.1-87.1-170.5175.3-175.10110.5H485H485-K487 PolarHBondContact O-N 3.24Å

Retrieved 487 of 487 residues in 237.6 ms (Link to these results)

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