A0A3Q0KPR8_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KPR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 753 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
1M48.1Very low70.5Confident112 Ų11266.5 Ų66.555%0.55234%0.335SS*.  0-58.90-70.1-56.7-85.200110.2D3 L4 Q5 C119 Q120M1-D3 VanDerWaalsContact C-N 3.35Å; M1-D3 PolarHBondContact O-N 3.03Å; M1-L4 PolarHBondContact O-N 3.38Å; M1-Q5 PolarHBondContact O-N 2.6Å; M1-Q5 VanDerWaalsContact O-N 3.08Å; M1-C119 HydrophobicContact CE-CB 4.27Å; M1-Q120 HydrophobicContact CE-CB 3.91Å; M1-Q120 HydrophobicContact SD-CB 4.14Å; M1-Q120 HydrophobicContact SD-CG 4.35Å
2D61.9Low71.5Confident107 Ų10761.3 Ų61.357%0.57231%0.31SS*.Hα-helixtrans-50-46.4-176.1-59.124.8000114.6L4 Q5 K6D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 2.66Å; D2-Q5 PolarHBondContact O-N 2.96Å; D2-K6 WeakPolarHBondContact O-CB 3.07Å; D2-K6 WeakPolarHBondContact O-CG 3.18Å; D2-K6 PolarHBondContact O-N 3.2Å
3D64.8Low72.4Confident114 Ų11462.6 Ų62.661%0.6132%0.323SS*.Hα-helixtrans-69.4-34.4-173-56.1-38.4000112.8M1 K6 A7M1-D3 VanDerWaalsContact C-N 3.35Å; M1-D3 PolarHBondContact O-N 3.03Å; D3-K6 IonicContact OD1-NZ 2.69Å; D3-K6 PolarHBondContact OD1-NZ 3.32Å; D3-A7 WeakPolarHBondContact O-CB 3.3Å; D3-A7 PolarHBondContact O-N 2.86Å
4L65.1Low73.1Confident26 Ų2664.9 Ų64.914%0.13633%0.329CS..Hα-helixtrans-67.4-47.2169.2166.990.5000111.3M1 D2 K6 A7 V8 F65 Y123M1-L4 PolarHBondContact O-N 3.38Å; D2-L4 VanDerWaalsContact C-N 3.34Å; D2-L4 PolarHBondContact O-N 2.66Å; L4-K6 PolarHBondContact O-N 3.17Å; L4-A7 CarbonylContact O-C 3.53Å; L4-A7 WeakPolarHBondContact O-CA 3.49Å; L4-A7 WeakPolarHBondContact O-CB 3.38Å; L4-A7 PolarHBondContact O-N 3.08Å; L4-V8 HydrophobicContact CD1-CG2 4.26Å; L4-V8 HydrophobicContact CG-CG2 4.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.22Å; L4-V8 PolarHBondContact O-N 3.39Å; L4-F65 HydrophobicContact CD1-CD1 4.24Å; L4-F65 HydrophobicContact CD1-CE1 3.61Å; L4-F65 HydrophobicContact CD1-CZ 4.26Å; L4-Y123 HydrophobicContact CD1-CD1 3.29Å; L4-Y123 HydrophobicContact CD1-CD2 3.81Å; L4-Y123 HydrophobicContact CD1-CE1 3.58Å; L4-Y123 HydrophobicContact CD1-CE2 4.09Å; L4-Y123 HydrophobicContact CD1-CG 3.41Å; L4-Y123 VanDerWaalsContact CD1-CG 3.41Å; L4-Y123 HydrophobicContact CD2-CD1 4.2Å; L4-Y123 HydrophobicContact CD2-CD2 3.01Å; L4-Y123 HydrophobicContact CD2-CE2 3.51Å; L4-Y123 HydrophobicContact CD2-CG 3.41Å; L4-Y123 VanDerWaalsContact CD2-CG 3.41Å; L4-Y123 HydrophobicContact CG-CD1 4.3Å; L4-Y123 HydrophobicContact CG-CD2 3.92Å; L4-Y123 HydrophobicContact CG-CE2 4.22Å; L4-Y123 HydrophobicContact CG-CG 3.96Å
5Q69.8Low73.6Confident93 Ų9362.3 Ų62.344%0.43532%0.316SS..Hα-helixtrans-60.6-39.4-179-172.7178.3-4.400110.3M1 D2 V8 I9M1-Q5 PolarHBondContact O-N 2.6Å; M1-Q5 VanDerWaalsContact O-N 3.08Å; D2-Q5 PolarHBondContact O-N 2.96Å; Q5-V8 PolarHBondContact O-N 3.34Å; Q5-I9 HydrophobicContact CG-CD1 3.94Å; Q5-I9 WeakPolarHBondContact O-CB 3.16Å; Q5-I9 WeakPolarHBondContact O-CD1 3.42Å; Q5-I9 WeakPolarHBondContact O-CG1 3.43Å; Q5-I9 PolarHBondContact O-N 2.78Å
6K76Confident74Confident116 Ų11661.3 Ų61.350%0.50432%0.317SS..Hα-helixtrans-58.5-47.9168.9-66.7164.4-152.1157.90111.5D2 D3 L4 I9 L10D2-K6 WeakPolarHBondContact O-CB 3.07Å; D2-K6 WeakPolarHBondContact O-CG 3.18Å; D2-K6 PolarHBondContact O-N 3.2Å; D3-K6 IonicContact OD1-NZ 2.69Å; D3-K6 PolarHBondContact OD1-NZ 3.32Å; L4-K6 PolarHBondContact O-N 3.17Å; K6-I9 PolarHBondContact O-N 3.23Å; K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 PolarHBondContact O-N 3.23Å
7A74.7Confident73.9Confident7 Ų759.3 Ų59.36%0.05831%0.308CS..Hα-helixtrans-61-44.8178.500000112.5D3 L4 L10 M11 E61 F65D3-A7 WeakPolarHBondContact O-CB 3.3Å; D3-A7 PolarHBondContact O-N 2.86Å; L4-A7 CarbonylContact O-C 3.53Å; L4-A7 WeakPolarHBondContact O-CA 3.49Å; L4-A7 WeakPolarHBondContact O-CB 3.38Å; L4-A7 PolarHBondContact O-N 3.08Å; A7-L10 PolarHBondContact O-N 3.01Å; A7-M11 HydrophobicContact CB-CE 3.99Å; A7-M11 VanDerWaalsContact O-CB 3.31Å; A7-M11 WeakPolarHBondContact O-CB 3.47Å; A7-M11 VanDerWaalsContact O-CE 3.27Å; A7-M11 WeakPolarHBondContact O-CE 3.34Å; A7-M11 VanDerWaalsContact O-CG 3.25Å; A7-M11 WeakPolarHBondContact O-CG 3.5Å; A7-M11 PolarHBondContact O-N 3.44Å; A7-E61 HydrophobicContact CB-CG 4.08Å; A7-F65 HydrophobicContact CB-CE2 4.13Å; A7-F65 HydrophobicContact CB-CZ 3.97Å
8V77.4Confident73.1Confident8 Ų860.8 Ų60.85%0.04831%0.313CS..Hα-helixtrans-63.8-45.4176.6173.50000111L4 Q5 M11 A12 F67 C110 H111L4-V8 HydrophobicContact CD1-CG2 4.26Å; L4-V8 HydrophobicContact CG-CG2 4.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.22Å; L4-V8 PolarHBondContact O-N 3.39Å; Q5-V8 PolarHBondContact O-N 3.34Å; V8-M11 PolarHBondContact O-N 2.91Å; V8-A12 VanDerWaalsContact O-CB 3.23Å; V8-A12 WeakPolarHBondContact O-CB 3.35Å; V8-A12 PolarHBondContact O-N 2.68Å; V8-F67 HydrophobicContact CG2-CE1 4.06Å; V8-F67 HydrophobicContact CG2-CZ 4.05Å; V8-C110 HydrophobicContact CG1-CB 4.22Å; V8-H111 HydrophobicContact CG1-CB 4.23Å
9I77.9Confident71.9Confident74 Ų7462 Ų6238%0.37932%0.32SS..Hα-helixtrans-62.5-43.3175.9-69.9166.7000110.9Q5 K6 A12 T13Q5-I9 HydrophobicContact CG-CD1 3.94Å; Q5-I9 WeakPolarHBondContact O-CB 3.16Å; Q5-I9 WeakPolarHBondContact O-CD1 3.42Å; Q5-I9 WeakPolarHBondContact O-CG1 3.43Å; Q5-I9 PolarHBondContact O-N 2.78Å; K6-I9 PolarHBondContact O-N 3.23Å; I9-A12 PolarHBondContact O-N 3.17Å; I9-T13 WeakPolarHBondContact O-CB 3.4Å; I9-T13 PolarHBondContact O-N 3.4Å; I9-T13 PolarHBondContact O-OG1 2.94Å
10L78.9Confident70.5Confident75 Ų7565.2 Ų65.239%0.39335%0.348SS..Hα-helixtrans-70.8-38.7-178.5-171.353000111.6K6 A7 T13 K14 E61K6-L10 WeakPolarHBondContact O-CB 3.47Å; K6-L10 PolarHBondContact O-N 3.23Å; A7-L10 PolarHBondContact O-N 3.01Å; L10-T13 PolarHBondContact O-N 3.24Å; L10-K14 HydrophobicContact CD1-CD 4.42Å; L10-K14 HydrophobicContact CD1-CG 4.42Å; L10-K14 HydrophobicContact CG-CD 4.15Å; L10-K14 WeakPolarHBondContact O-CB 3.36Å; L10-K14 VanDerWaalsContact O-CG 3.27Å; L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.08Å; L10-E61 WeakPolarHBondContact CD2-OE1 3.11Å; L10-E61 WeakPolarHBondContact CD2-OE2 3.37Å; L10-E61 VanDerWaalsContact CG-OE1 3.27Å; L10-E61 WeakPolarHBondContact CG-OE1 3.25Å
11M81.5Confident68.8Low0 Ų070.3 Ų70.30%037%0.367CS..Hα-helixtrans-65.7-43.3170.7-72.4-174.9-83.700112.2A7 V8 T13 K14 L15 L60 E61 F65 F67 I107A7-M11 HydrophobicContact CB-CE 3.99Å; A7-M11 VanDerWaalsContact O-CB 3.31Å; A7-M11 WeakPolarHBondContact O-CB 3.47Å; A7-M11 VanDerWaalsContact O-CE 3.27Å; A7-M11 WeakPolarHBondContact O-CE 3.34Å; A7-M11 VanDerWaalsContact O-CG 3.25Å; A7-M11 WeakPolarHBondContact O-CG 3.5Å; A7-M11 PolarHBondContact O-N 3.44Å; V8-M11 PolarHBondContact O-N 2.91Å; M11-T13 PolarHBondContact O-N 3.29Å; M11-K14 PolarHBondContact O-N 3.19Å; M11-L15 VanDerWaalsContact O-CB 3.25Å; M11-L15 WeakPolarHBondContact O-CB 3.32Å; M11-L15 WeakPolarHBondContact O-CG 3.01Å; M11-L15 PolarHBondContact O-N 2.92Å; M11-L60 HydrophobicContact CB-CD1 4.24Å; M11-L60 HydrophobicContact CG-CB 3.86Å; M11-L60 HydrophobicContact CG-CD1 3.81Å; M11-L60 HydrophobicContact CG-CG 4.45Å; M11-L60 HydrophobicContact SD-CB 4.43Å; M11-L60 HydrophobicContact SD-CD1 4.25Å; M11-E61 HydrophobicContact CE-CG 4.02Å; M11-E61 HydrophobicContact CG-CG 3.5Å; M11-E61 HydrophobicContact SD-CG 3.93Å; M11-F65 HydrophobicContact CE-CD2 3.7Å; M11-F65 HydrophobicContact CE-CE2 3.62Å; M11-F65 HydrophobicContact CE-CZ 4.44Å; M11-F65 HydrophobicContact SD-CD2 4.28Å; M11-F67 HydrophobicContact CE-CE2 3.56Å; M11-F67 HydrophobicContact CE-CZ 3.49Å; M11-F67 VanDerWaalsContact CE-CZ 3.49Å; M11-F67 HydrophobicContact SD-CE2 3.88Å; M11-F67 HydrophobicContact SD-CZ 4.35Å; M11-I107 HydrophobicContact CB-CD1 4Å; M11-I107 HydrophobicContact CB-CG2 4.47Å; M11-I107 HydrophobicContact SD-CD1 4.3Å
12A81.6Confident68.2Low4 Ų470.2 Ų70.23%0.03338%0.375CS..Hα-helixtrans-60.2-37.6175.400000111.7V8 I9 S16 V17 I107V8-A12 VanDerWaalsContact O-CB 3.23Å; V8-A12 WeakPolarHBondContact O-CB 3.35Å; V8-A12 PolarHBondContact O-N 2.68Å; I9-A12 PolarHBondContact O-N 3.17Å; A12-S16 PolarHBondContact O-N 3.48Å; A12-V17 HydrophobicContact CB-CB 4.29Å; A12-V17 HydrophobicContact CB-CG2 4.3Å; A12-V17 PolarHBondContact O-N 3.41Å; A12-I107 HydrophobicContact CB-CG2 3.76Å
13T83.2Confident67Low78 Ų7869.7 Ų69.748%0.47937%0.372SS..Hα-helixtrans-67.4-53.7174.5-56.30000111.3I9 L10 M11 L15 S16I9-T13 WeakPolarHBondContact O-CB 3.4Å; I9-T13 PolarHBondContact O-N 3.4Å; I9-T13 PolarHBondContact O-OG1 2.94Å; L10-T13 PolarHBondContact O-N 3.24Å; M11-T13 PolarHBondContact O-N 3.29Å; T13-L15 VanDerWaalsContact C-N 3.31Å; T13-L15 PolarHBondContact O-N 3.4Å; T13-S16 PolarHBondContact O-N 2.78Å
14K82.5Confident65.5Low94 Ų9469.7 Ų69.741%0.40938%0.38SS..Hα-helixtrans-60.8-36.5179.9-73.5169.7179.2163.60112.5L10 M11 S16 L60 E61L10-K14 HydrophobicContact CD1-CD 4.42Å; L10-K14 HydrophobicContact CD1-CG 4.42Å; L10-K14 HydrophobicContact CG-CD 4.15Å; L10-K14 WeakPolarHBondContact O-CB 3.36Å; L10-K14 VanDerWaalsContact O-CG 3.27Å; L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.08Å; M11-K14 PolarHBondContact O-N 3.19Å; K14-S16 VanDerWaalsContact C-N 3.3Å; K14-L60 HydrophobicContact CB-CD2 3.76Å; K14-L60 HydrophobicContact CD-CB 4.35Å; K14-L60 HydrophobicContact CD-CD2 3.7Å; K14-L60 HydrophobicContact CG-CD2 4.32Å; K14-L60 PolarHBondContact NZ-O 3.49Å; K14-E61 IonicContact NZ-OE1 3.98Å; K14-E61 PolarHBondContact NZ-OE1 2.91Å
15L80.5Confident63.9Low26 Ų2676.4 Ų76.414%0.13642%0.415CS..THydrogen-bonded Turntrans-85.62.5176.6-64.6173.8000113.8M11 T13 V17 L60 L100 L103 K104 I107M11-L15 VanDerWaalsContact O-CB 3.25Å; M11-L15 WeakPolarHBondContact O-CB 3.32Å; M11-L15 WeakPolarHBondContact O-CG 3.01Å; M11-L15 PolarHBondContact O-N 2.92Å; T13-L15 VanDerWaalsContact C-N 3.31Å; T13-L15 PolarHBondContact O-N 3.4Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 HydrophobicContact CB-CG2 3.99Å; L15-V17 PolarHBondContact O-N 3.21Å; L15-L60 HydrophobicContact CD1-CD1 4.02Å; L15-L60 HydrophobicContact CD2-CD1 4.17Å; L15-L60 HydrophobicContact CG-CD1 4Å; L15-L100 HydrophobicContact CD2-CD1 4.03Å; L15-L103 HydrophobicContact CD1-CG 4.43Å; L15-K104 HydrophobicContact CB-CG 4.39Å; L15-I107 HydrophobicContact CD1-CD1 3.44Å; L15-I107 VanDerWaalsContact CD1-CD1 3.44Å
16S79.6Confident62.1Low46 Ų4673.7 Ų73.732%0.32241%0.409SS..THydrogen-bonded Turntrans55.236.1178-59.90000114.8A12 T13 K14 H18 N19A12-S16 PolarHBondContact O-N 3.48Å; T13-S16 PolarHBondContact O-N 2.78Å; K14-S16 VanDerWaalsContact C-N 3.3Å; S16-H18 PolarHBondContact O-N 3.33Å; S16-H18 VanDerWaalsContact O-N 3.13Å; S16-N19 PolarHBondContact O-N 3.12Å
17V73.3Confident59.8Low28 Ų2876.1 Ų76.117%0.1742%0.422CS..THydrogen-bonded Turntrans-60.5-27.3-172.5177.90000113.5A12 L15 I107 K108A12-V17 HydrophobicContact CB-CB 4.29Å; A12-V17 HydrophobicContact CB-CG2 4.3Å; A12-V17 PolarHBondContact O-N 3.41Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 HydrophobicContact CB-CG2 3.99Å; L15-V17 PolarHBondContact O-N 3.21Å; V17-I107 HydrophobicContact CG2-CG2 4.38Å; V17-K108 HydrophobicContact CG1-CB 3.44Å; V17-K108 VanDerWaalsContact CG1-CB 3.44Å; V17-K108 HydrophobicContact CG1-CD 4.06Å; V17-K108 HydrophobicContact CG1-CG 3.65Å
18H58.3Low57.8Low87 Ų8780.7 Ų80.740%0.40345%0.449SS..THydrogen-bonded Turntrans-122.3-0.1-178.3-59-82.6000114.6S16 S20 H111 D112S16-H18 PolarHBondContact O-N 3.33Å; S16-H18 VanDerWaalsContact O-N 3.13Å; H18-S20 PolarHBondContact O-N 2.84Å; H18-H111 AromaticContact CD2-ND1 3.94Å; H18-H111 AromaticContact CE1-ND1 3.85Å; H18-H111 AromaticContact NE2-CE1 3.78Å; H18-H111 AromaticContact NE2-CG 3.81Å; H18-H111 AromaticContact NE2-ND1 3.24Å; H18-H111 PolarHBondContact NE2-ND1 3.29Å; H18-D112 IonicContact CE1-OD1 3.67Å; H18-D112 PolarHBondContact CE1-OD1 3.27Å; H18-D112 IonicContact NE2-OD1 2.79Å
19N51.3Low55.6Low83 Ų8384.5 Ų84.544%0.44447%0.472SS..  trans-90.8102-176.2-82.5-23.3000111.7S16 K21S16-N19 PolarHBondContact O-N 3.12Å; N19-K21 PolarHBondContact O-N 2.86Å
20S43.2Very low53.4Low126 Ų12685.2 Ų85.288%0.88148%0.48SS*.  trans-76.5-4.1172.654.90000114.3H18H18-S20 PolarHBondContact O-N 2.84Å
21K36.2Very low51.2Low172 Ų17282 Ų8275%0.74846%0.463SS*.SBendtrans-99.4132.3167.3-72.1-177.5177.6178.60109.2N19 L23N19-K21 PolarHBondContact O-N 2.86Å; K21-L23 PolarHBondContact O-N 2.9Å
22P34.6Very low48.8Very low110 Ų11089.4 Ų89.471%0.71449%0.491SS*.  trans-60.7124.7165.327.9-32.3000107.7C24P22-C24 PolarHBondContact O-N 3.27Å
23L37.5Very low47.1Very low96 Ų9689.9 Ų89.950%0.50350%0.495SS..  trans-68.3101.6164.4-97.884.4000106.7K21 N25 A26K21-L23 PolarHBondContact O-N 2.9Å; L23-N25 PolarHBondContact O-N 3.42Å; L23-A26 HydrophobicContact CB-CB 3.36Å; L23-A26 HydrophobicContact CD2-CB 3.85Å; L23-A26 HydrophobicContact CG-CB 4.2Å; L23-A26 PolarHBondContact O-N 3.38Å
24C32.9Very low45.5Very low115 Ų11596.1 Ų96.178%0.77751%0.509SS*.THydrogen-bonded Turntrans-62.75.5-179.8-66.20000115P22P22-C24 PolarHBondContact O-N 3.27Å
25N31.4Very low44.6Very low166 Ų16693 Ų9389%0.88850%0.496SS*.THydrogen-bonded Turntrans-14919.7170.6-84.4-37000112.6L23L23-N25 PolarHBondContact O-N 3.42Å
26A30.9Very low44.4Very low37 Ų3793.5 Ų93.531%0.30650%0.5SS..  trans-78.1124.1161.200000107.4L23 V28L23-A26 HydrophobicContact CB-CB 3.36Å; L23-A26 HydrophobicContact CD2-CB 3.85Å; L23-A26 HydrophobicContact CG-CB 4.2Å; L23-A26 PolarHBondContact O-N 3.38Å; A26-V28 PolarHBondContact O-N 2.85Å
27E29.2Very low44.4Very low167 Ų16791.6 Ų91.678%0.7849%0.487SS*.  trans-57.799.8152-69.5-173.5141.800106.7V29E27-V29 VanDerWaalsContact C-N 3.27Å; E27-V29 WeakPolarHBondContact O-CG2 3.43Å; E27-V29 PolarHBondContact O-N 2.81Å
28V31.5Very low44.8Very low103 Ų10397.5 Ų97.562%0.62451%0.51SS*.  trans-60.6104.5160.8176.40000104A26 T30A26-V28 PolarHBondContact O-N 2.85Å; V28-T30 HydrophobicContact CG1-CG2 4.03Å; V28-T30 PolarHBondContact O-N 3.22Å; V28-T30 PolarHBondContact O-OG1 3.31Å
29V31.8Very low46.1Very low88 Ų8898 Ų9853%0.53351%0.513SS..  trans-74.156.7174.4-165.70000108.4E27 V31E27-V29 VanDerWaalsContact C-N 3.27Å; E27-V29 WeakPolarHBondContact O-CG2 3.43Å; E27-V29 PolarHBondContact O-N 2.81Å; V29-V31 HydrophobicContact CG1-CG2 4.13Å; V29-V31 PolarHBondContact O-N 3.31Å
30T31.2Very low47.9Very low88 Ų8894.1 Ų94.154%0.5449%0.492SS..  trans-57.593146.8320000105.8V28 R32V28-T30 HydrophobicContact CG1-CG2 4.03Å; V28-T30 PolarHBondContact O-N 3.22Å; V28-T30 PolarHBondContact O-OG1 3.31Å; T30-R32 PolarHBondContact O-N 2.82Å
31V34.2Very low50.1Low7 Ų788.7 Ų88.74%0.04245%0.454CS..  trans-48.693.6162.1162.80000107.8V29 C33 Q96 L367V29-V31 HydrophobicContact CG1-CG2 4.13Å; V29-V31 PolarHBondContact O-N 3.31Å; V31-C33 HydrophobicContact CG1-CB 4.28Å; V31-C33 WeakPolarHBondContact CG1-SG 3.47Å; V31-C33 PolarHBondContact O-N 2.8Å; V31-Q96 PolarHBondContact O-NE2 3.21Å; V31-L367 HydrophobicContact CG1-CB 3.59Å; V31-L367 HydrophobicContact CG1-CD1 3.7Å; V31-L367 HydrophobicContact CG1-CD2 3.83Å; V31-L367 HydrophobicContact CG1-CG 3.87Å; V31-L367 HydrophobicContact CG2-CD1 4.08Å
32R31Very low52.7Low156 Ų15683.8 Ų83.859%0.58943%0.432SS*.  trans-88.755.7-171.7-144.9-178.9-160.9169.714.6110T30 R34 D372T30-R32 PolarHBondContact O-N 2.82Å; R32-R34 PolarHBondContact O-N 3.41Å; R32-R34 VanDerWaalsContact O-N 3.07Å; R32-D372 IonicContact CZ-OD1 2.64Å; R32-D372 IonicContact CZ-OD2 3.96Å; R32-D372 IonicContact NH1-OD1 2.56Å; R32-D372 PolarHBondContact NH1-OD1 2.84Å; R32-D372 IonicContact NH1-OD2 3.46Å; R32-D372 PolarHBondContact NH1-OD2 3.17Å
33C44.6Very low55.3Low15 Ų1585.3 Ų85.310%0.10142%0.424CS..  trans-65.5112.5177.8-74.20000110.4V31 H35 L367 N368V31-C33 HydrophobicContact CG1-CB 4.28Å; V31-C33 WeakPolarHBondContact CG1-SG 3.47Å; V31-C33 PolarHBondContact O-N 2.8Å; C33-H35 WeakPolarHBondContact CB-CD2 3.45Å; C33-H35 WeakPolarHBondContact CB-NE2 3.29Å; C33-H35 PolarHBondContact O-CD2 3.24Å; C33-H35 PolarHBondContact O-N 2.8Å; C33-L367 WeakPolarHBondContact SG-CA 3.3Å; C33-L367 WeakPolarHBondContact SG-CB 3.22Å; C33-L367 WeakPolarHBondContact SG-CD2 3.47Å; C33-N368 PolarHBondContact SG-N 3.1Å
34R50.1Low58Low208 Ų20881.9 Ų81.979%0.78540%0.404SS*.  trans-68.276.1152.7-68.1-176177.5-179.6-0108R32R32-R34 PolarHBondContact O-N 3.41Å; R32-R34 VanDerWaalsContact O-N 3.07Å
35H64.1Low60.8Low28 Ų2876.5 Ų76.513%0.1337%0.368CS..  trans-60.9143.5169.1-77.2-76.9000109.4C33 F92 E195C33-H35 WeakPolarHBondContact CB-CD2 3.45Å; C33-H35 WeakPolarHBondContact CB-NE2 3.29Å; C33-H35 PolarHBondContact O-CD2 3.24Å; C33-H35 PolarHBondContact O-N 2.8Å; H35-F92 HydrophobicContact CB-CB 4.5Å; H35-F92 HydrophobicContact CB-CD1 3.7Å; H35-F92 HydrophobicContact CB-CD2 3.7Å; H35-F92 HydrophobicContact CB-CE1 3.93Å; H35-F92 HydrophobicContact CB-CE2 3.83Å; H35-F92 HydrophobicContact CB-CG 3.67Å; H35-F92 HydrophobicContact CB-CZ 3.97Å; H35-F92 AromaticContact CD2-CD1 3.41Å; H35-F92 VanDerWaalsContact CD2-CD1 3.41Å; H35-F92 WeakPolarHBondContact CD2-CD1 3.48Å; H35-F92 AromaticContact CD2-CE1 2.91Å; H35-F92 WeakPolarHBondContact CD2-CE1 3.41Å; H35-F92 AromaticContact CD2-CZ 3.29Å; H35-F92 WeakPolarHBondContact CD2-CZ 3.32Å; H35-F92 AromaticContact CE1-CE1 3.76Å; H35-F92 AromaticContact CE1-CZ 3.32Å; H35-F92 WeakPolarHBondContact CE1-CZ 3.21Å; H35-F92 AromaticContact CG-CD1 3.61Å; H35-F92 AromaticContact CG-CD2 3.94Å; H35-F92 AromaticContact CG-CE1 3.3Å; H35-F92 AromaticContact CG-CE2 3.57Å; H35-F92 AromaticContact CG-CG 3.99Å; H35-F92 AromaticContact CG-CZ 3.26Å; H35-F92 AromaticContact ND1-CE1 3.8Å; H35-F92 AromaticContact ND1-CE2 3.56Å; H35-F92 AromaticContact ND1-CZ 3.28Å; H35-F92 VanDerWaalsContact ND1-CZ 3.28Å; H35-F92 WeakPolarHBondContact ND1-CZ 3.49Å; H35-F92 AromaticContact NE2-CE1 3.26Å; H35-F92 VanDerWaalsContact NE2-CE1 3.26Å; H35-F92 WeakPolarHBondContact NE2-CE1 3.45Å; H35-F92 AromaticContact NE2-CZ 3.33Å; H35-F92 VanDerWaalsContact NE2-CZ 3.33Å; H35-F92 WeakPolarHBondContact NE2-CZ 3.39Å; H35-E195 WeakPolarHBondContact CB-OE1 3.42Å; H35-E195 IonicContact CE1-OE1 2.86Å; H35-E195 IonicContact CG-OE1 2.93Å; H35-E195 IonicContact ND1-OE1 2.74Å; H35-E195 PolarHBondContact ND1-OE1 3.33Å; H35-E195 IonicContact ND1-OE2 3.8Å
36V76Confident63.8Low38 Ų3869.4 Ų69.423%0.2333%0.33CS..SBendtrans-99.2-31-167.4-169.40000111.2K38 P191 E192V36-K38 PolarHBondContact O-N 2.93Å; V36-K38 VanDerWaalsContact O-N 3.12Å; V36-P191 HydrophobicContact CB-CG 3.83Å; V36-P191 HydrophobicContact CG1-CG 4Å; V36-P191 HydrophobicContact CG2-CB 4.48Å; V36-P191 HydrophobicContact CG2-CG 3.47Å; V36-P191 VanDerWaalsContact CG2-CG 3.47Å; V36-E192 HydrophobicContact CB-CG 4.17Å; V36-E192 HydrophobicContact CG1-CG 3.65Å; V36-E192 WeakPolarHBondContact CG1-OE1 3.45Å
37V80.2Confident66.8Low6 Ų667.7 Ų67.74%0.03632%0.315CS..  trans-73.898.7165.3-177.30000108.5H39 I40 F92 E192 W252V37-H39 WeakPolarHBondContact CG1-O 3.3Å; V37-I40 HydrophobicContact CG1-CG1 3.85Å; V37-F92 WeakPolarHBondContact O-CB 3.2Å; V37-F92 WeakPolarHBondContact O-CD2 3.49Å; V37-E192 HydrophobicContact CG2-CB 3.94Å; V37-E192 HydrophobicContact CG2-CG 4.45Å; V37-W252 HydrophobicContact CG1-CZ3 3.94Å; V37-W252 HydrophobicContact CG2-CE3 4.1Å; V37-W252 HydrophobicContact CG2-CZ3 4Å
38K81.8Confident69.9Low151 Ų15159.8 Ų59.866%0.65728%0.278SS*.  trans-70.5-40178.3-66.3-174.6-179.5-179.30113.2V36 D91 F92V36-K38 PolarHBondContact O-N 2.93Å; V36-K38 VanDerWaalsContact O-N 3.12Å; K38-D91 CarbonylContact O-C 3.54Å; K38-D91 WeakPolarHBondContact O-CA 3.41Å; K38-F92 PolarHBondContact O-N 3.05Å
39H84.9Confident72.8Confident99 Ų9954.9 Ų54.946%0.45825%0.248SC..EExtended strand (participates in β ladder)trans-120.2125.4-173.9-66.6105.4000110.5V37 N89 Y90V37-H39 WeakPolarHBondContact CG1-O 3.3Å; H39-N89 HydrophobicContact CB-CB 4.4Å; H39-Y90 CarbonylContact C-O 3.53Å; H39-Y90 VanDerWaalsContact CA-O 3.28Å; H39-Y90 WeakPolarHBondContact CA-O 3.25Å
40I89.4Confident75.8Confident0 Ų051 Ų510%023%0.225CC..EExtended strand (participates in β ladder)trans-112.6124.4-179.4-66.7160.3000108.9V37 V45 Y48 N89 Y90 F92 I95V37-I40 HydrophobicContact CG1-CG1 3.85Å; I40-V45 HydrophobicContact CG2-CG2 4.27Å; I40-Y48 HydrophobicContact CD1-CD1 3.33Å; I40-Y48 HydrophobicContact CD1-CD2 4.16Å; I40-Y48 HydrophobicContact CD1-CE1 3.47Å; I40-Y48 VanDerWaalsContact CD1-CE1 3.47Å; I40-Y48 HydrophobicContact CD1-CE2 4.28Å; I40-Y48 HydrophobicContact CD1-CG 3.68Å; I40-Y48 HydrophobicContact CG1-CD1 4.26Å; I40-Y48 HydrophobicContact CG1-CE1 3.99Å; I40-Y48 HydrophobicContact CG1-CE2 4.26Å; I40-Y48 HydrophobicContact CG1-CG 4.49Å; I40-Y48 HydrophobicContact CG2-CD2 3.86Å; I40-Y48 HydrophobicContact CG2-CE2 3.91Å; I40-Y48 HydrophobicContact CG2-CG 4.37Å; I40-N89 WeakPolarHBondContact O-CA 3.49Å; I40-Y90 PolarHBondContact N-O 2.89Å; I40-Y90 WeakPolarHBondContact O-CD2 3.09Å; I40-Y90 PolarHBondContact O-N 2.89Å; I40-F92 HydrophobicContact CD1-CD2 3.45Å; I40-F92 VanDerWaalsContact CD1-CD2 3.45Å; I40-F92 HydrophobicContact CD1-CE2 3.86Å; I40-F92 HydrophobicContact CD1-CG 4.26Å; I40-F92 HydrophobicContact CG1-CD2 4.46Å; I40-I95 HydrophobicContact CB-CD1 3.73Å; I40-I95 HydrophobicContact CD1-CD1 3.5Å; I40-I95 HydrophobicContact CG1-CD1 4.17Å; I40-I95 HydrophobicContact CG2-CD1 4.11Å
41P89.8Confident78.7Confident13 Ų1346.9 Ų46.98%0.08420%0.199CC..EExtended strand (participates in β ladder)trans-59.9141.5174.3-26.333.1000113.1R43 Y44 D88 N89 L251P41-R43 HydrophobicContact CB-CG 4.35Å; P41-R43 PolarHBondContact O-N 2.88Å; P41-Y44 HydrophobicContact CB-CD2 3.81Å; P41-Y44 HydrophobicContact CB-CE2 4.04Å; P41-Y44 HydrophobicContact CG-CD2 3.99Å; P41-Y44 HydrophobicContact CG-CE2 4.07Å; P41-Y44 PolarHBondContact O-N 3.13Å; P41-D88 CarbonylContact C-O 3.42Å; P41-D88 VanDerWaalsContact CA-O 3.31Å; P41-D88 WeakPolarHBondContact CA-O 3.18Å; P41-N89 WeakPolarHBondContact CA-OD1 3.49Å; P41-L251 HydrophobicContact CG-CD1 4.2Å
42K90Very high81.5Confident68 Ų6846.7 Ų46.730%0.29620%0.198SC..G310 helixtrans-45.4-41.9-174.6-166.4171.7178.9170.10113.2Y44 V45 I82 R83 I85 D88 Y90K42-Y44 PolarHBondContact O-N 3.34Å; K42-Y44 VanDerWaalsContact O-N 3.15Å; K42-V45 WeakPolarHBondContact O-CB 3.5Å; K42-V45 WeakPolarHBondContact O-CG2 3.12Å; K42-V45 PolarHBondContact O-N 2.8Å; K42-I82 WeakPolarHBondContact CE-O 3.25Å; K42-I82 PolarHBondContact NZ-O 3.47Å; K42-R83 PolarHBondContact NZ-O 2.99Å; K42-I85 PolarHBondContact NZ-O 3.46Å; K42-D88 PolarHBondContact N-O 2.98Å; K42-Y90 HydrophobicContact CB-CD2 4.44Å; K42-Y90 HydrophobicContact CB-CE2 3.69Å; K42-Y90 HydrophobicContact CD-CE2 4.39Å; K42-Y90 HydrophobicContact CG-CE2 3.8Å
43R89.9Confident84.3Confident142 Ų14239.5 Ų39.554%0.53617%0.172SC..G310 helixtrans-61-18.2-179.369.9-170.2-172.1-167.99.2115.2P41 S245P41-R43 HydrophobicContact CB-CG 4.35Å; P41-R43 PolarHBondContact O-N 2.88Å; R43-S245 PolarHBondContact NH2-OG 3.47Å
44Y93Very high86.4Confident24 Ų2439 Ų399%0.09417%0.168CC..G310 helixtrans-108.6-10.4179-52.3-61.6000113.9P41 K42 M46 A47 Y48 H196 L200 S242P41-Y44 HydrophobicContact CB-CD2 3.81Å; P41-Y44 HydrophobicContact CB-CE2 4.04Å; P41-Y44 HydrophobicContact CG-CD2 3.99Å; P41-Y44 HydrophobicContact CG-CE2 4.07Å; P41-Y44 PolarHBondContact O-N 3.13Å; K42-Y44 PolarHBondContact O-N 3.34Å; K42-Y44 VanDerWaalsContact O-N 3.15Å; Y44-M46 PolarHBondContact O-N 2.95Å; Y44-M46 VanDerWaalsContact O-N 3.13Å; Y44-A47 WeakPolarHBondContact O-CB 2.96Å; Y44-A47 PolarHBondContact O-N 3.44Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.33Å; Y44-Y48 PolarHBondContact O-N 3.38Å; Y44-H196 AromaticContact CD2-CE1 3.9Å; Y44-H196 AromaticContact CG-CE1 3.94Å; Y44-L200 HydrophobicContact CD1-CD1 3.77Å; Y44-L200 HydrophobicContact CD1-CD2 3.96Å; Y44-L200 HydrophobicContact CE1-CD1 4.23Å; Y44-L200 HydrophobicContact CE1-CD2 3.77Å; Y44-S242 WeakPolarHBondContact CE1-OG 3.12Å; Y44-S242 PolarHBondContact OH-OG 2.79Å
45V93.1Very high88.2Confident2 Ų229.2 Ų29.21%0.01213%0.131CC..Hα-helixtrans-51.5-42.9-174.9173.20000111.7I40 K42 A47 Y48 I49 I82 Y90 I95I40-V45 HydrophobicContact CG2-CG2 4.27Å; K42-V45 WeakPolarHBondContact O-CB 3.5Å; K42-V45 WeakPolarHBondContact O-CG2 3.12Å; K42-V45 PolarHBondContact O-N 2.8Å; V45-A47 PolarHBondContact O-N 3.16Å; V45-Y48 PolarHBondContact O-N 3.32Å; V45-I49 HydrophobicContact CG1-CD1 3.71Å; V45-I49 HydrophobicContact CG1-CG1 4.38Å; V45-I49 WeakPolarHBondContact O-CG1 3.49Å; V45-I49 PolarHBondContact O-N 3.26Å; V45-I82 HydrophobicContact CG1-CD1 4.27Å; V45-I82 HydrophobicContact CG1-CG1 4.13Å; V45-Y90 HydrophobicContact CG2-CD1 4.46Å; V45-Y90 HydrophobicContact CG2-CD2 3.51Å; V45-Y90 HydrophobicContact CG2-CE2 4.12Å; V45-Y90 HydrophobicContact CG2-CG 3.78Å; V45-I95 HydrophobicContact CG1-CD1 4.25Å; V45-I95 HydrophobicContact CG1-CG1 4.16Å; V45-I95 HydrophobicContact CG2-CD1 4.06Å
46M93Very high89.2Confident18 Ų1828.5 Ų28.59%0.08913%0.128CC..Hα-helixtrans-62.2-42.9179.2-161.561.8166.100113Y44 Y48 I49 L50 W75 L78 V79 I82 Y203Y44-M46 PolarHBondContact O-N 2.95Å; Y44-M46 VanDerWaalsContact O-N 3.13Å; M46-Y48 VanDerWaalsContact C-N 3.34Å; M46-Y48 PolarHBondContact O-N 3.46Å; M46-I49 PolarHBondContact O-N 3.26Å; M46-L50 HydrophobicContact CG-CD1 4.11Å; M46-L50 VanDerWaalsContact O-CG 3.31Å; M46-L50 WeakPolarHBondContact O-CG 3.48Å; M46-L50 PolarHBondContact O-N 3.44Å; M46-W75 HydrophobicContact CE-CD2 4.13Å; M46-W75 HydrophobicContact CE-CE3 3.7Å; M46-W75 HydrophobicContact CE-CH2 3.1Å; M46-W75 HydrophobicContact CE-CZ2 3.55Å; M46-W75 HydrophobicContact CE-CZ3 3.22Å; M46-W75 HydrophobicContact CG-CH2 4.47Å; M46-L78 HydrophobicContact CE-CD2 3.49Å; M46-L78 VanDerWaalsContact CE-CD2 3.49Å; M46-L78 HydrophobicContact CE-CG 3.77Å; M46-L78 HydrophobicContact SD-CD1 4.46Å; M46-L78 HydrophobicContact SD-CD2 3.75Å; M46-L78 HydrophobicContact SD-CG 3.85Å; M46-V79 HydrophobicContact CE-CG2 4.09Å; M46-I82 HydrophobicContact CB-CD1 4.17Å; M46-I82 HydrophobicContact CE-CD1 4.49Å; M46-I82 HydrophobicContact CG-CD1 4.34Å; M46-I82 HydrophobicContact SD-CD1 3.18Å; M46-I82 WeakPolarHBondContact SD-CD1 3.39Å; M46-Y203 HydrophobicContact CB-CE2 4.29Å; M46-Y203 HydrophobicContact CG-CE2 4.17Å
47A94.2Very high89.6Confident0 Ų026.7 Ų26.70%012%0.117CC..Hα-helixtrans-62.4-42.2178.300000111.5Y44 V45 S51 L200 Y203Y44-A47 WeakPolarHBondContact O-CB 2.96Å; Y44-A47 PolarHBondContact O-N 3.44Å; V45-A47 PolarHBondContact O-N 3.16Å; A47-S51 VanDerWaalsContact O-CB 3.22Å; A47-S51 WeakPolarHBondContact O-CB 3.08Å; A47-S51 PolarHBondContact O-N 2.75Å; A47-L200 HydrophobicContact CB-CD1 4.09Å; A47-Y203 VanDerWaalsContact CB-CB 3.48Å; A47-Y203 HydrophobicContact CB-CD1 3.9Å; A47-Y203 HydrophobicContact CB-CD2 4.2Å; A47-Y203 HydrophobicContact CB-CG 3.59Å
48Y94Very high89.7Confident1 Ų126.7 Ų26.70%0.00412%0.117CC..Hα-helixtrans-64.8-43.9175.3-81.7-105.2000112.1I40 Y44 V45 M46 S51 L52 F92 H196 H199I40-Y48 HydrophobicContact CD1-CD1 3.33Å; I40-Y48 HydrophobicContact CD1-CD2 4.16Å; I40-Y48 HydrophobicContact CD1-CE1 3.47Å; I40-Y48 VanDerWaalsContact CD1-CE1 3.47Å; I40-Y48 HydrophobicContact CD1-CE2 4.28Å; I40-Y48 HydrophobicContact CD1-CG 3.68Å; I40-Y48 HydrophobicContact CG1-CD1 4.26Å; I40-Y48 HydrophobicContact CG1-CE1 3.99Å; I40-Y48 HydrophobicContact CG1-CE2 4.26Å; I40-Y48 HydrophobicContact CG1-CG 4.49Å; I40-Y48 HydrophobicContact CG2-CD2 3.86Å; I40-Y48 HydrophobicContact CG2-CE2 3.91Å; I40-Y48 HydrophobicContact CG2-CG 4.37Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.33Å; Y44-Y48 PolarHBondContact O-N 3.38Å; V45-Y48 PolarHBondContact O-N 3.32Å; M46-Y48 VanDerWaalsContact C-N 3.34Å; M46-Y48 PolarHBondContact O-N 3.46Å; Y48-S51 PolarHBondContact O-N 2.67Å; Y48-L52 VanDerWaalsContact O-CB 3.24Å; Y48-L52 WeakPolarHBondContact O-CB 3.4Å; Y48-L52 WeakPolarHBondContact O-CD1 3.13Å; Y48-L52 WeakPolarHBondContact O-CG 3.43Å; Y48-L52 PolarHBondContact O-N 2.87Å; Y48-F92 HydrophobicContact CD1-CD2 4.47Å; Y48-F92 AromaticContact CD1-CE2 3.7Å; Y48-F92 HydrophobicContact CD1-CE2 3.7Å; Y48-F92 HydrophobicContact CD1-CZ 4.34Å; Y48-F92 HydrophobicContact CE1-CD2 4.47Å; Y48-F92 AromaticContact CE1-CE2 3.84Å; Y48-F92 HydrophobicContact CE1-CE2 3.84Å; Y48-H196 AromaticContact CE2-ND1 3.76Å; Y48-H196 AromaticContact CZ-ND1 3.82Å; Y48-H196 WeakPolarHBondContact OH-CA 3.25Å; Y48-H196 PolarHBondContact OH-ND1 2.74Å; Y48-H199 HydrophobicContact CD1-CB 3.97Å; Y48-H199 AromaticContact CD1-CG 3.66Å; Y48-H199 AromaticContact CD1-ND1 3.63Å; Y48-H199 HydrophobicContact CD2-CB 4.01Å; Y48-H199 HydrophobicContact CE1-CB 4.14Å; Y48-H199 AromaticContact CE1-CG 3.86Å; Y48-H199 AromaticContact CE1-ND1 3.43Å; Y48-H199 WeakPolarHBondContact CE1-ND1 3.23Å; Y48-H199 HydrophobicContact CE2-CB 4.17Å; Y48-H199 HydrophobicContact CG-CB 3.94Å
49I93.6Very high89.6Confident0 Ų021.4 Ų21.40%010%0.096CC..Hα-helixtrans-61.9-47.6179.6-70.3174000111.4V45 M46 A53 L68 L78 I82 I95 I98 A99V45-I49 HydrophobicContact CG1-CD1 3.71Å; V45-I49 HydrophobicContact CG1-CG1 4.38Å; V45-I49 WeakPolarHBondContact O-CG1 3.49Å; V45-I49 PolarHBondContact O-N 3.26Å; M46-I49 PolarHBondContact O-N 3.26Å; I49-A53 WeakPolarHBondContact O-CB 3.29Å; I49-A53 PolarHBondContact O-N 2.91Å; I49-L68 HydrophobicContact CG2-CD1 3.74Å; I49-L78 HydrophobicContact CD1-CD1 3.67Å; I49-L78 HydrophobicContact CG2-CD1 3.86Å; I49-L78 HydrophobicContact CG2-CD2 3.74Å; I49-L78 HydrophobicContact CG2-CG 4.47Å; I49-I82 HydrophobicContact CD1-CD1 4.23Å; I49-I95 HydrophobicContact CG1-CG2 3.8Å; I49-I98 HydrophobicContact CD1-CB 4.18Å; I49-I98 HydrophobicContact CD1-CG2 3.8Å; I49-A99 HydrophobicContact CB-CB 4.38Å; I49-A99 HydrophobicContact CG1-CB 4.47Å; I49-A99 HydrophobicContact CG2-CB 3.98Å
50L93.3Very high89.3Confident6 Ų617.8 Ų17.83%0.0318%0.08CC..Hα-helixtrans-65.7-42.4179-63.4173.1000111.9M46 A53 Q54 L68 W75 Y160 V161 Y203M46-L50 HydrophobicContact CG-CD1 4.11Å; M46-L50 VanDerWaalsContact O-CG 3.31Å; M46-L50 WeakPolarHBondContact O-CG 3.48Å; M46-L50 PolarHBondContact O-N 3.44Å; L50-A53 PolarHBondContact O-N 3.45Å; L50-Q54 VanDerWaalsContact O-CB 3.23Å; L50-Q54 WeakPolarHBondContact O-CB 3.3Å; L50-Q54 PolarHBondContact O-N 3.43Å; L50-L68 HydrophobicContact CD2-CB 3.78Å; L50-L68 HydrophobicContact CD2-CD1 4.15Å; L50-L68 HydrophobicContact CD2-CG 4.49Å; L50-W75 HydrophobicContact CD1-CH2 4.27Å; L50-W75 HydrophobicContact CD1-CZ3 4.02Å; L50-W75 HydrophobicContact CD2-CZ3 3.9Å; L50-Y160 HydrophobicContact CB-CE1 4.11Å; L50-Y160 HydrophobicContact CB-CE2 4.37Å; L50-Y160 WeakPolarHBondContact CB-OH 3.49Å; L50-Y160 HydrophobicContact CD1-CE1 4.41Å; L50-V161 HydrophobicContact CD1-CG2 3.96Å; L50-Y203 HydrophobicContact CD1-CD2 4.18Å
51S93.1Very high88.6Confident2 Ų219.8 Ų19.81%0.0149%0.089CC..Hα-helixtrans-73.3-32.5-179.1178.10000112.2A47 Y48 K55 Y160 S198 H199A47-S51 VanDerWaalsContact O-CB 3.22Å; A47-S51 WeakPolarHBondContact O-CB 3.08Å; A47-S51 PolarHBondContact O-N 2.75Å; Y48-S51 PolarHBondContact O-N 2.67Å; S51-K55 WeakPolarHBondContact O-CB 3.26Å; S51-K55 VanDerWaalsContact O-CG 3.22Å; S51-K55 WeakPolarHBondContact O-CG 3.49Å; S51-K55 PolarHBondContact O-N 2.96Å; S51-Y160 WeakPolarHBondContact CA-OH 3.26Å; S51-Y160 WeakPolarHBondContact CB-OH 3.45Å; S51-Y160 PolarHBondContact N-OH 2.98Å; S51-S198 PolarHBondContact OG-O 3.03Å; S51-H199 PolarHBondContact OG-CD2 3.42Å; S51-H199 VanDerWaalsContact OG-CD2 3.31Å
52L91.6Very high87.8Confident4 Ų422.8 Ų22.82%0.02110%0.101CC..Hα-helixtrans-65.4-47.3170.6-74.9167.2000111.8Y48 Q54 K55 Q56 F92 I95 Q96 A99Y48-L52 VanDerWaalsContact O-CB 3.24Å; Y48-L52 WeakPolarHBondContact O-CB 3.4Å; Y48-L52 WeakPolarHBondContact O-CD1 3.13Å; Y48-L52 WeakPolarHBondContact O-CG 3.43Å; Y48-L52 PolarHBondContact O-N 2.87Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.19Å; L52-K55 PolarHBondContact O-N 2.7Å; L52-Q56 WeakPolarHBondContact O-CG 3.32Å; L52-Q56 PolarHBondContact O-N 3.26Å; L52-F92 HydrophobicContact CD1-CE1 3.88Å; L52-F92 HydrophobicContact CD1-CZ 3.7Å; L52-F92 HydrophobicContact CD2-CE1 4.35Å; L52-F92 HydrophobicContact CD2-CZ 3.99Å; L52-F92 HydrophobicContact CG-CZ 4.32Å; L52-I95 HydrophobicContact CD1-CG2 4.01Å; L52-Q96 HydrophobicContact CD1-CB 4.5Å; L52-A99 HydrophobicContact CB-CB 3.98Å; L52-A99 HydrophobicContact CD1-CB 4.48Å
53A90.1Very high87.1Confident4 Ų420.4 Ų20.43%0.0339%0.091CC..Hα-helixtrans-61.2-43.2176.700000111.9I49 L50 K55 Q56 C57 L68 L103I49-A53 WeakPolarHBondContact O-CB 3.29Å; I49-A53 PolarHBondContact O-N 2.91Å; L50-A53 PolarHBondContact O-N 3.45Å; A53-K55 PolarHBondContact O-N 3.4Å; A53-Q56 WeakPolarHBondContact O-CB 3.34Å; A53-Q56 PolarHBondContact O-N 2.73Å; A53-C57 PolarHBondContact O-N 2.77Å; A53-C57 PolarHBondContact O-SG 2.91Å; A53-C57 VanDerWaalsContact O-SG 3.33Å; A53-L68 HydrophobicContact CB-CD1 3.49Å; A53-L68 VanDerWaalsContact CB-CD1 3.49Å; A53-L68 HydrophobicContact CB-CD2 4.41Å; A53-L68 HydrophobicContact CB-CG 3.77Å; A53-L103 HydrophobicContact CB-CB 4.39Å; A53-L103 HydrophobicContact CB-CD2 4.38Å
54Q89.2Confident86.5Confident4 Ų413.7 Ų13.72%0.0197%0.065CC..Hα-helixtrans-57.4-46.7173.5178.768.226.300112.4L50 L52 Q56 C57 L58 S64 F65 A153 V154 Y160L50-Q54 VanDerWaalsContact O-CB 3.23Å; L50-Q54 WeakPolarHBondContact O-CB 3.3Å; L50-Q54 PolarHBondContact O-N 3.43Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.19Å; Q54-Q56 VanDerWaalsContact C-N 3.33Å; Q54-Q56 PolarHBondContact O-N 3.22Å; Q54-C57 WeakPolarHBondContact O-CB 3.37Å; Q54-C57 PolarHBondContact O-N 3.35Å; Q54-L58 HydrophobicContact CG-CD1 4.21Å; Q54-L58 WeakPolarHBondContact O-CG 3.25Å; Q54-L58 PolarHBondContact O-N 3.29Å; Q54-L58 VanDerWaalsContact O-N 3.07Å; Q54-S64 VanDerWaalsContact NE2-CA 3.3Å; Q54-S64 PolarHBondContact NE2-OG 2.85Å; Q54-F65 PolarHBondContact OE1-O 3.23Å; Q54-A153 PolarHBondContact NE2-O 3.15Å; Q54-V154 HydrophobicContact CG-CG2 4.22Å; Q54-Y160 HydrophobicContact CB-CE2 4.3Å; Q54-Y160 HydrophobicContact CG-CE2 4.38Å
55K87.5Confident85.8Confident3 Ų312.9 Ų12.91%0.0136%0.062CC..Hα-helixtrans-64.7-33.6177.1-73.4170.5-175178.40112.4S51 L52 A53 N59 W151 S198 H199 L367S51-K55 WeakPolarHBondContact O-CB 3.26Å; S51-K55 VanDerWaalsContact O-CG 3.22Å; S51-K55 WeakPolarHBondContact O-CG 3.49Å; S51-K55 PolarHBondContact O-N 2.96Å; L52-K55 PolarHBondContact O-N 2.7Å; A53-K55 PolarHBondContact O-N 3.4Å; K55-N59 WeakPolarHBondContact O-CB 3.47Å; K55-N59 PolarHBondContact O-N 3.24Å; K55-W151 WeakPolarHBondContact CE-O 3.37Å; K55-S198 PolarHBondContact NZ-OG 3.17Å; K55-H199 PolarHBondContact NZ-CD2 3.21Å; K55-H199 PolarHBondContact NZ-CE1 3.21Å; K55-H199 PolarHBondContact NZ-NE2 3.46Å; K55-L367 HydrophobicContact CB-CD1 4.13Å
56Q85.7Confident85Confident14 Ų1413.1 Ų13.17%0.0656%0.064CC..Hα-helixtrans-64.4-46.3172-66.4-65.1-600111.5L52 A53 Q54 L58 N59 L60 L103L52-Q56 WeakPolarHBondContact O-CG 3.32Å; L52-Q56 PolarHBondContact O-N 3.26Å; A53-Q56 WeakPolarHBondContact O-CB 3.34Å; A53-Q56 PolarHBondContact O-N 2.73Å; Q54-Q56 VanDerWaalsContact C-N 3.33Å; Q54-Q56 PolarHBondContact O-N 3.22Å; Q56-L58 PolarHBondContact O-N 3.42Å; Q56-N59 PolarHBondContact O-N 3.44Å; Q56-N59 VanDerWaalsContact O-N 3.14Å; Q56-L60 VanDerWaalsContact O-CG 3.27Å; Q56-L60 WeakPolarHBondContact O-CG 3.4Å; Q56-L60 PolarHBondContact O-N 3.24Å; Q56-L103 HydrophobicContact CB-CD2 3.63Å; Q56-L103 HydrophobicContact CG-CD2 4.28Å
57C83.4Confident84.3Confident0 Ų012.4 Ų12.40%06%0.06CC..Hα-helixtrans-57.4-46.8176.9-66.90000112.5A53 Q54 N59 L60 E61 E63 F65 F67A53-C57 PolarHBondContact O-N 2.77Å; A53-C57 PolarHBondContact O-SG 2.91Å; A53-C57 VanDerWaalsContact O-SG 3.33Å; Q54-C57 WeakPolarHBondContact O-CB 3.37Å; Q54-C57 PolarHBondContact O-N 3.35Å; C57-N59 VanDerWaalsContact C-N 3.31Å; C57-N59 PolarHBondContact O-N 2.9Å; C57-L60 PolarHBondContact O-N 3.23Å; C57-E61 PolarHBondContact O-N 3.16Å; C57-E63 CarbonylContact C-O 3.42Å; C57-F65 HydrophobicContact CB-CB 4.14Å; C57-F65 HydrophobicContact CB-CD2 4.12Å; C57-F67 VanDerWaalsContact SG-CD2 3.52Å
58L83.1Confident83.7Confident5 Ų512.5 Ų12.53%0.0266%0.061CC..Hα-helixtrans-61.3-36.6175.4-74161000112.7Q54 Q56 K62 E63 L135 W151 A153Q54-L58 HydrophobicContact CG-CD1 4.21Å; Q54-L58 WeakPolarHBondContact O-CG 3.25Å; Q54-L58 PolarHBondContact O-N 3.29Å; Q54-L58 VanDerWaalsContact O-N 3.07Å; Q56-L58 PolarHBondContact O-N 3.42Å; L58-K62 WeakPolarHBondContact O-CA 3.12Å; L58-K62 PolarHBondContact O-N 3.35Å; L58-E63 WeakPolarHBondContact CA-O 3.35Å; L58-E63 PolarHBondContact N-O 3.25Å; L58-L135 HydrophobicContact CD2-CD2 3.95Å; L58-W151 HydrophobicContact CB-CH2 4.45Å; L58-W151 HydrophobicContact CD1-CH2 4.19Å; L58-W151 HydrophobicContact CD1-CZ3 3.96Å; L58-A153 HydrophobicContact CD1-CB 4.23Å; L58-A153 HydrophobicContact CD2-CB 4.47Å
59N79.6Confident82.7Confident40 Ų4012.7 Ų12.721%0.2146%0.062CC..Hα-helixtrans-72.9-35176.3-83.7-7.6000113.1K55 Q56 C57 L367K55-N59 WeakPolarHBondContact O-CB 3.47Å; K55-N59 PolarHBondContact O-N 3.24Å; Q56-N59 PolarHBondContact O-N 3.44Å; Q56-N59 VanDerWaalsContact O-N 3.14Å; C57-N59 VanDerWaalsContact C-N 3.31Å; C57-N59 PolarHBondContact O-N 2.9Å; N59-L367 WeakPolarHBondContact ND2-CD1 3.18Å
60L78.9Confident81.7Confident24 Ų2413.1 Ų13.113%0.1266%0.064CC..Hα-helixtrans-73.2-48.5-179.6-66.6168.1000111.3M11 K14 L15 Q56 C57M11-L60 HydrophobicContact CB-CD1 4.24Å; M11-L60 HydrophobicContact CG-CB 3.86Å; M11-L60 HydrophobicContact CG-CD1 3.81Å; M11-L60 HydrophobicContact CG-CG 4.45Å; M11-L60 HydrophobicContact SD-CB 4.43Å; M11-L60 HydrophobicContact SD-CD1 4.25Å; K14-L60 HydrophobicContact CB-CD2 3.76Å; K14-L60 HydrophobicContact CD-CB 4.35Å; K14-L60 HydrophobicContact CD-CD2 3.7Å; K14-L60 HydrophobicContact CG-CD2 4.32Å; K14-L60 PolarHBondContact NZ-O 3.49Å; L15-L60 HydrophobicContact CD1-CD1 4.02Å; L15-L60 HydrophobicContact CD2-CD1 4.17Å; L15-L60 HydrophobicContact CG-CD1 4Å; Q56-L60 VanDerWaalsContact O-CG 3.27Å; Q56-L60 WeakPolarHBondContact O-CG 3.4Å; Q56-L60 PolarHBondContact O-N 3.24Å; C57-L60 PolarHBondContact O-N 3.23Å
61E73.9Confident81Confident41 Ų4113.2 Ų13.219%0.1927%0.065CC..Hα-helixtrans-125.64.5-167-59.8-55.9132.200114.8A7 L10 M11 K14 C57 E63 F65A7-E61 HydrophobicContact CB-CG 4.08Å; L10-E61 WeakPolarHBondContact CD2-OE1 3.11Å; L10-E61 WeakPolarHBondContact CD2-OE2 3.37Å; L10-E61 VanDerWaalsContact CG-OE1 3.27Å; L10-E61 WeakPolarHBondContact CG-OE1 3.25Å; M11-E61 HydrophobicContact CE-CG 4.02Å; M11-E61 HydrophobicContact CG-CG 3.5Å; M11-E61 HydrophobicContact SD-CG 3.93Å; K14-E61 IonicContact NZ-OE1 3.98Å; K14-E61 PolarHBondContact NZ-OE1 2.91Å; C57-E61 PolarHBondContact O-N 3.16Å; E61-E63 HydrophobicContact CB-CB 4.44Å; E61-E63 PolarHBondContact O-N 3.38Å; E61-F65 HydrophobicContact CB-CE2 4.32Å
62K73.2Confident80.3Confident76 Ų7614.4 Ų14.433%0.337%0.073SC..SBendtrans58.312.1-171.6-59.7-64.7-178.41760114.7L58L58-K62 WeakPolarHBondContact O-CA 3.12Å; L58-K62 PolarHBondContact O-N 3.35Å
63E74.8Confident79.9Confident19 Ų1919.4 Ų19.49%0.08910%0.096CC..SBendtrans-113.2144.8-179.6-82.1-60133.100112.4C57 L58 E61 F65 S127 L128 N129C57-E63 CarbonylContact C-O 3.42Å; L58-E63 WeakPolarHBondContact CA-O 3.35Å; L58-E63 PolarHBondContact N-O 3.25Å; E61-E63 HydrophobicContact CB-CB 4.44Å; E61-E63 PolarHBondContact O-N 3.38Å; E63-F65 HydrophobicContact CB-CD2 4.04Å; E63-F65 HydrophobicContact CB-CE1 4.47Å; E63-F65 HydrophobicContact CB-CE2 3.37Å; E63-F65 HydrophobicContact CB-CZ 3.62Å; E63-F65 HydrophobicContact CG-CE2 4.35Å; E63-F65 HydrophobicContact CG-CZ 4.21Å; E63-S127 PolarHBondContact OE2-OG 3.14Å; E63-L128 PolarHBondContact OE2-N 3.45Å; E63-N129 VanDerWaalsContact OE1-CG 3.22Å; E63-N129 PolarHBondContact OE1-ND2 3.14Å; E63-N129 PolarHBondContact OE2-N 3.3Å
64S78.9Confident79.8Confident0 Ų019.2 Ų19.20%010%0.095CC..  trans-70.4136.1166.1164.40000109.8Q54 A126 S127 A155Q54-S64 VanDerWaalsContact NE2-CA 3.3Å; Q54-S64 PolarHBondContact NE2-OG 2.85Å; S64-A126 CarbonylContact C-O 3.58Å; S64-A126 PolarHBondContact OG-O 2.73Å; S64-S127 WeakPolarHBondContact O-CA 3.3Å; S64-A155 WeakPolarHBondContact OG-CB 3.35Å; S64-A155 PolarHBondContact OG-N 2.98Å
65F78.1Confident79.6Confident7 Ų719.9 Ų19.93%0.03110%0.097CC..  trans-151.4122167.3-62.6-69.1000111.5L4 A7 M11 Q54 C57 E61 E63 F67L4-F65 HydrophobicContact CD1-CD1 4.24Å; L4-F65 HydrophobicContact CD1-CE1 3.61Å; L4-F65 HydrophobicContact CD1-CZ 4.26Å; A7-F65 HydrophobicContact CB-CE2 4.13Å; A7-F65 HydrophobicContact CB-CZ 3.97Å; M11-F65 HydrophobicContact CE-CD2 3.7Å; M11-F65 HydrophobicContact CE-CE2 3.62Å; M11-F65 HydrophobicContact CE-CZ 4.44Å; M11-F65 HydrophobicContact SD-CD2 4.28Å; Q54-F65 PolarHBondContact OE1-O 3.23Å; C57-F65 HydrophobicContact CB-CB 4.14Å; C57-F65 HydrophobicContact CB-CD2 4.12Å; E61-F65 HydrophobicContact CB-CE2 4.32Å; E63-F65 HydrophobicContact CB-CD2 4.04Å; E63-F65 HydrophobicContact CB-CE1 4.47Å; E63-F65 HydrophobicContact CB-CE2 3.37Å; E63-F65 HydrophobicContact CB-CZ 3.62Å; E63-F65 HydrophobicContact CG-CE2 4.35Å; E63-F65 HydrophobicContact CG-CZ 4.21Å; F65-F67 VanDerWaalsContact C-N 3.3Å; F65-F67 HydrophobicContact CB-CD2 3.46Å; F65-F67 VanDerWaalsContact CB-CD2 3.46Å; F65-F67 HydrophobicContact CB-CE2 3.23Å; F65-F67 HydrophobicContact CB-CG 4.38Å; F65-F67 HydrophobicContact CB-CZ 4Å; F65-F67 HydrophobicContact CD1-CE2 4.43Å; F65-F67 HydrophobicContact CD1-CZ 4.45Å; F65-F67 AromaticContact CD2-CE2 3.81Å; F65-F67 HydrophobicContact CD2-CE2 3.81Å; F65-F67 HydrophobicContact CD2-CZ 4.3Å; F65-F67 HydrophobicContact CG-CD2 4.33Å; F65-F67 AromaticContact CG-CE2 3.6Å; F65-F67 HydrophobicContact CG-CE2 3.6Å; F65-F67 HydrophobicContact CG-CZ 4.02Å; F65-F67 PolarHBondContact O-N 3.39Å
66S76.2Confident79.6Confident7 Ų723.6 Ų23.65%0.04912%0.116CC..  trans-9045.7179.6-51.90000113.6L68 S69 Y70S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 3.33Å; S66-L68 VanDerWaalsContact O-N 3.08Å; S66-S69 PolarHBondContact O-N 2.99Å; S66-Y70 WeakPolarHBondContact O-CD2 3.49Å; S66-Y70 PolarHBondContact O-N 2.86Å
67F77.2Confident79.8Confident3 Ų326.6 Ų26.61%0.01313%0.133CC..Hα-helixtrans-47.3-42.3-172.5-75.9-77.3000115V8 M11 C57 F65 S69 Y70 V71 L103 A106 I107 Y123V8-F67 HydrophobicContact CG2-CE1 4.06Å; V8-F67 HydrophobicContact CG2-CZ 4.05Å; M11-F67 HydrophobicContact CE-CE2 3.56Å; M11-F67 HydrophobicContact CE-CZ 3.49Å; M11-F67 VanDerWaalsContact CE-CZ 3.49Å; M11-F67 HydrophobicContact SD-CE2 3.88Å; M11-F67 HydrophobicContact SD-CZ 4.35Å; C57-F67 VanDerWaalsContact SG-CD2 3.52Å; F65-F67 VanDerWaalsContact C-N 3.3Å; F65-F67 HydrophobicContact CB-CD2 3.46Å; F65-F67 VanDerWaalsContact CB-CD2 3.46Å; F65-F67 HydrophobicContact CB-CE2 3.23Å; F65-F67 HydrophobicContact CB-CG 4.38Å; F65-F67 HydrophobicContact CB-CZ 4Å; F65-F67 HydrophobicContact CD1-CE2 4.43Å; F65-F67 HydrophobicContact CD1-CZ 4.45Å; F65-F67 AromaticContact CD2-CE2 3.81Å; F65-F67 HydrophobicContact CD2-CE2 3.81Å; F65-F67 HydrophobicContact CD2-CZ 4.3Å; F65-F67 HydrophobicContact CG-CD2 4.33Å; F65-F67 AromaticContact CG-CE2 3.6Å; F65-F67 HydrophobicContact CG-CE2 3.6Å; F65-F67 HydrophobicContact CG-CZ 4.02Å; F65-F67 PolarHBondContact O-N 3.39Å; F67-S69 PolarHBondContact O-N 3.46Å; F67-Y70 PolarHBondContact O-N 3.3Å; F67-V71 PolarHBondContact O-N 2.86Å; F67-L103 HydrophobicContact CB-CD1 3.99Å; F67-L103 HydrophobicContact CD2-CD1 3.9Å; F67-L103 HydrophobicContact CG-CD1 4.24Å; F67-A106 HydrophobicContact CB-CB 3.9Å; F67-I107 HydrophobicContact CD1-CG1 4.31Å; F67-I107 HydrophobicContact CD2-CG1 4.34Å; F67-I107 HydrophobicContact CE1-CG1 4.25Å; F67-I107 HydrophobicContact CE2-CG1 4.29Å; F67-I107 HydrophobicContact CG-CG1 4.36Å; F67-I107 HydrophobicContact CZ-CG1 4.27Å; F67-Y123 HydrophobicContact CD1-CE1 4.21Å; F67-Y123 AromaticContact CE1-CE1 3.71Å; F67-Y123 HydrophobicContact CE1-CE1 3.71Å; F67-Y123 AromaticContact CE1-CZ 3.95Å; F67-Y123 WeakPolarHBondContact CE1-OH 3.48Å; F67-Y123 HydrophobicContact CZ-CE1 4.33Å
68L81.4Confident80.2Confident2 Ų226.6 Ų26.61%0.0113%0.133CC..Hα-helixtrans-62.9-29.1-176-57.5-165.2000113.3I49 L50 A53 S66 V74 L78 S102 L103 A106I49-L68 HydrophobicContact CG2-CD1 3.74Å; L50-L68 HydrophobicContact CD2-CB 3.78Å; L50-L68 HydrophobicContact CD2-CD1 4.15Å; L50-L68 HydrophobicContact CD2-CG 4.49Å; A53-L68 HydrophobicContact CB-CD1 3.49Å; A53-L68 VanDerWaalsContact CB-CD1 3.49Å; A53-L68 HydrophobicContact CB-CD2 4.41Å; A53-L68 HydrophobicContact CB-CG 3.77Å; S66-L68 VanDerWaalsContact C-N 3.27Å; S66-L68 PolarHBondContact O-N 3.33Å; S66-L68 VanDerWaalsContact O-N 3.08Å; L68-V74 HydrophobicContact CD2-CG1 3.88Å; L68-L78 HydrophobicContact CD1-CD2 4.28Å; L68-S102 VanDerWaalsContact CD2-C 3.41Å; L68-S102 WeakPolarHBondContact CD2-O 3.49Å; L68-L103 HydrophobicContact CD2-CB 4.19Å; L68-A106 HydrophobicContact CD2-CB 4.27Å
69S75Confident80.5Confident5 Ų527.3 Ų27.34%0.03514%0.137CC..Hα-helixtrans-85.5-31.2-177.9-59.70000111.7S66 F67 S159 Y160 P162S66-S69 PolarHBondContact O-N 2.99Å; F67-S69 PolarHBondContact O-N 3.46Å; S69-S159 WeakPolarHBondContact CB-O 3.37Å; S69-Y160 PolarHBondContact OG-O 2.78Å; S69-P162 WeakPolarHBondContact O-CG 3.27Å
70Y71.3Confident80.9Confident10 Ų1028.9 Ų28.94%0.03915%0.145CC..Hα-helixtrans-86-18.5-177-77.4-67.7000115.3S66 F67 P72 Y122 A126 S159S66-Y70 WeakPolarHBondContact O-CD2 3.49Å; S66-Y70 PolarHBondContact O-N 2.86Å; F67-Y70 PolarHBondContact O-N 3.3Å; Y70-P72 WeakPolarHBondContact O-CD 3.37Å; Y70-Y122 VanDerWaalsContact CD1-CB 3.46Å; Y70-Y122 AromaticContact CD1-CD1 3.33Å; Y70-Y122 HydrophobicContact CD1-CD1 3.33Å; Y70-Y122 HydrophobicContact CD1-CE1 4.21Å; Y70-Y122 AromaticContact CD1-CG 3.54Å; Y70-Y122 HydrophobicContact CD1-CG 3.54Å; Y70-Y122 AromaticContact CE1-CD1 3.81Å; Y70-Y122 HydrophobicContact CE1-CD1 3.81Å; Y70-Y122 HydrophobicContact CE1-CG 4.18Å; Y70-Y122 WeakPolarHBondContact CE1-O 3.43Å; Y70-Y122 HydrophobicContact CG-CD1 4.33Å; Y70-Y122 HydrophobicContact CG-CG 4.14Å; Y70-Y122 WeakPolarHBondContact O-CE2 3.49Å; Y70-Y122 PolarHBondContact OH-O 2.68Å; Y70-A126 HydrophobicContact CD2-CB 4.26Å; Y70-A126 HydrophobicContact CE2-CB 3.54Å; Y70-S159 WeakPolarHBondContact OH-CB 3.48Å; Y70-S159 PolarHBondContact OH-OG 2.59Å
71V78.8Confident81.4Confident7 Ų729.5 Ų29.54%0.04215%0.15CC..  trans-99.6102.9178.1-177.40000109.3F67 E73 V74 W75 A106 L109F67-V71 PolarHBondContact O-N 2.86Å; V71-E73 VanDerWaalsContact C-N 3.28Å; V71-E73 WeakPolarHBondContact CG1-OE2 3.25Å; V71-E73 PolarHBondContact O-N 3.42Å; V71-V74 HydrophobicContact CB-CB 4.1Å; V71-V74 HydrophobicContact CB-CG2 3.97Å; V71-V74 HydrophobicContact CG1-CB 4.13Å; V71-V74 HydrophobicContact CG1-CG2 3.6Å; V71-V74 WeakPolarHBondContact O-CB 3.4Å; V71-V74 PolarHBondContact O-N 3.25Å; V71-W75 PolarHBondContact O-N 2.91Å; V71-A106 HydrophobicContact CB-CB 4.37Å; V71-A106 HydrophobicContact CG2-CB 4.02Å; V71-L109 HydrophobicContact CG1-CB 4.15Å; V71-L109 HydrophobicContact CG1-CD1 3.56Å; V71-L109 HydrophobicContact CG1-CG 4.5Å
72P78.3Confident82Confident28 Ų2828.9 Ų28.918%0.18215%0.148CC..Hα-helixtrans-60-35.4-170.6-24.635.9000113.5Y70 V74 W75 I76Y70-P72 WeakPolarHBondContact O-CD 3.37Å; P72-V74 PolarHBondContact O-N 2.96Å; P72-W75 PolarHBondContact O-N 2.97Å; P72-I76 WeakPolarHBondContact O-CB 3.21Å; P72-I76 WeakPolarHBondContact O-CD1 3.47Å; P72-I76 WeakPolarHBondContact O-CG1 3.41Å; P72-I76 PolarHBondContact O-N 2.96Å
73E82.5Confident82.7Confident108 Ų10832.7 Ų32.751%0.50516%0.16SC..Hα-helixtrans-69.6-18.6178.4-53.380.9179.500113.1V71 N77 K105 L109V71-E73 VanDerWaalsContact C-N 3.28Å; V71-E73 WeakPolarHBondContact CG1-OE2 3.25Å; V71-E73 PolarHBondContact O-N 3.42Å; E73-N77 WeakPolarHBondContact O-CB 3.44Å; E73-K105 PolarHBondContact O-NZ 3.23Å; E73-L109 HydrophobicContact CB-CD1 4.22Å
74V87.9Confident83.3Confident1 Ų135.7 Ų35.71%0.00618%0.183CC..Hα-helixtrans-90-45.9172.1177.80000109.3L68 V71 P72 N77 L78 K105 A106 L109L68-V74 HydrophobicContact CD2-CG1 3.88Å; V71-V74 HydrophobicContact CB-CB 4.1Å; V71-V74 HydrophobicContact CB-CG2 3.97Å; V71-V74 HydrophobicContact CG1-CB 4.13Å; V71-V74 HydrophobicContact CG1-CG2 3.6Å; V71-V74 WeakPolarHBondContact O-CB 3.4Å; V71-V74 PolarHBondContact O-N 3.25Å; P72-V74 PolarHBondContact O-N 2.96Å; V74-N77 PolarHBondContact O-N 3.23Å; V74-L78 VanDerWaalsContact O-CB 3.26Å; V74-L78 WeakPolarHBondContact O-CB 3.46Å; V74-L78 PolarHBondContact O-N 3.15Å; V74-K105 HydrophobicContact CG2-CB 4.18Å; V74-K105 HydrophobicContact CG2-CD 3.95Å; V74-K105 HydrophobicContact CG2-CG 3.89Å; V74-A106 HydrophobicContact CG1-CB 4.38Å; V74-A106 HydrophobicContact CG2-CB 3.94Å; V74-L109 HydrophobicContact CG2-CD1 3.95Å
75W87Confident83.4Confident17 Ų1737.3 Ų37.36%0.06419%0.191CC..Hα-helixtrans-58.7-50.9177.8-177.2-96.8000112.8M46 L50 V71 P72 N77 L78 V79 V161 P162 H167M46-W75 HydrophobicContact CE-CD2 4.13Å; M46-W75 HydrophobicContact CE-CE3 3.7Å; M46-W75 HydrophobicContact CE-CH2 3.1Å; M46-W75 HydrophobicContact CE-CZ2 3.55Å; M46-W75 HydrophobicContact CE-CZ3 3.22Å; M46-W75 HydrophobicContact CG-CH2 4.47Å; L50-W75 HydrophobicContact CD1-CH2 4.27Å; L50-W75 HydrophobicContact CD1-CZ3 4.02Å; L50-W75 HydrophobicContact CD2-CZ3 3.9Å; V71-W75 PolarHBondContact O-N 2.91Å; P72-W75 PolarHBondContact O-N 2.97Å; W75-N77 VanDerWaalsContact C-N 3.34Å; W75-N77 PolarHBondContact O-N 3.08Å; W75-L78 PolarHBondContact O-N 3.45Å; W75-V79 HydrophobicContact CD2-CG2 4.35Å; W75-V79 HydrophobicContact CZ2-CG2 4.1Å; W75-V79 WeakPolarHBondContact O-CB 3.3Å; W75-V79 WeakPolarHBondContact O-CG2 3.16Å; W75-V79 PolarHBondContact O-N 3.48Å; W75-V161 HydrophobicContact CH2-CG1 3.89Å; W75-V161 HydrophobicContact CZ2-CG1 4.29Å; W75-P162 HydrophobicContact CD2-CG 3.61Å; W75-P162 VanDerWaalsContact CE3-CD 3.44Å; W75-P162 HydrophobicContact CE3-CG 3.73Å; W75-P162 HydrophobicContact CG-CG 4.04Å; W75-P162 HydrophobicContact CH2-CG 4.32Å; W75-P162 VanDerWaalsContact CZ2-CD 3.46Å; W75-P162 HydrophobicContact CZ2-CG 4.25Å; W75-P162 HydrophobicContact CZ3-CG 4.04Å; W75-H167 AromaticContact CD1-CE1 3.4Å; W75-H167 AromaticContact CD1-NE2 3.79Å; W75-H167 AromaticContact NE1-CE1 3.92Å
76I87Confident83.5Confident81 Ų8144.5 Ų44.542%0.41523%0.23SC..Hα-helixtrans-58.8-48.3179.1-68165000110P72 L78 V79 D80P72-I76 WeakPolarHBondContact O-CB 3.21Å; P72-I76 WeakPolarHBondContact O-CD1 3.47Å; P72-I76 WeakPolarHBondContact O-CG1 3.41Å; P72-I76 PolarHBondContact O-N 2.96Å; I76-L78 PolarHBondContact O-N 3.45Å; I76-V79 PolarHBondContact O-N 3.28Å; I76-D80 WeakPolarHBondContact O-CB 3.41Å; I76-D80 PolarHBondContact O-N 2.84Å
77N89.8Confident84Confident78 Ų7847 Ų4742%0.41725%0.247SC..Hα-helixtrans-60.1-44.2178.5-175.1-87.1000112.1E73 V74 W75 D80 V81E73-N77 WeakPolarHBondContact O-CB 3.44Å; V74-N77 PolarHBondContact O-N 3.23Å; W75-N77 VanDerWaalsContact C-N 3.34Å; W75-N77 PolarHBondContact O-N 3.08Å; N77-D80 PolarHBondContact O-N 2.88Å; N77-V81 WeakPolarHBondContact O-CB 3.19Å; N77-V81 VanDerWaalsContact O-CG2 3.3Å; N77-V81 WeakPolarHBondContact O-CG2 3.38Å; N77-V81 PolarHBondContact O-N 3.24Å
78L90.7Very high84.3Confident0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-63.4-43177.3174.558.3000112.1M46 I49 L68 V74 W75 I76 D80 V81 I82 I98M46-L78 HydrophobicContact CE-CD2 3.49Å; M46-L78 VanDerWaalsContact CE-CD2 3.49Å; M46-L78 HydrophobicContact CE-CG 3.77Å; M46-L78 HydrophobicContact SD-CD1 4.46Å; M46-L78 HydrophobicContact SD-CD2 3.75Å; M46-L78 HydrophobicContact SD-CG 3.85Å; I49-L78 HydrophobicContact CD1-CD1 3.67Å; I49-L78 HydrophobicContact CG2-CD1 3.86Å; I49-L78 HydrophobicContact CG2-CD2 3.74Å; I49-L78 HydrophobicContact CG2-CG 4.47Å; L68-L78 HydrophobicContact CD1-CD2 4.28Å; V74-L78 VanDerWaalsContact O-CB 3.26Å; V74-L78 WeakPolarHBondContact O-CB 3.46Å; V74-L78 PolarHBondContact O-N 3.15Å; W75-L78 PolarHBondContact O-N 3.45Å; I76-L78 PolarHBondContact O-N 3.45Å; L78-D80 VanDerWaalsContact C-N 3.35Å; L78-V81 PolarHBondContact O-N 3.35Å; L78-I82 HydrophobicContact CD1-CD1 3.91Å; L78-I82 HydrophobicContact CD1-CG1 4.37Å; L78-I82 HydrophobicContact CG-CD1 4.16Å; L78-I82 WeakPolarHBondContact O-CG1 3.41Å; L78-I82 PolarHBondContact O-N 2.77Å; L78-I98 HydrophobicContact CD1-CG2 3.7Å
79V89.2Confident84.4Confident20 Ų2055.9 Ų55.912%0.12130%0.295CS..Hα-helixtrans-63.2-41.8175.3169.80000111M46 W75 I76 I82 R83M46-V79 HydrophobicContact CE-CG2 4.09Å; W75-V79 HydrophobicContact CD2-CG2 4.35Å; W75-V79 HydrophobicContact CZ2-CG2 4.1Å; W75-V79 WeakPolarHBondContact O-CB 3.3Å; W75-V79 WeakPolarHBondContact O-CG2 3.16Å; W75-V79 PolarHBondContact O-N 3.48Å; I76-V79 PolarHBondContact O-N 3.28Å; V79-I82 PolarHBondContact O-N 2.8Å; V79-R83 HydrophobicContact CG1-CG 4.38Å; V79-R83 WeakPolarHBondContact O-CB 3.04Å; V79-R83 VanDerWaalsContact O-CG 3.25Å; V79-R83 WeakPolarHBondContact O-CG 3.45Å; V79-R83 PolarHBondContact O-N 2.91Å
80D89.9Confident85Confident72 Ų7256.1 Ų56.139%0.38530%0.295SS..Hα-helixtrans-70.3-37.5178.9-69-24.1000112.5I76 N77 L78 R83 S84I76-D80 WeakPolarHBondContact O-CB 3.41Å; I76-D80 PolarHBondContact O-N 2.84Å; N77-D80 PolarHBondContact O-N 2.88Å; L78-D80 VanDerWaalsContact C-N 3.35Å; D80-R83 PolarHBondContact O-N 2.92Å; D80-R83 IonicContact OD1-CZ 3.84Å; D80-R83 IonicContact OD1-NH1 2.78Å; D80-R83 PolarHBondContact OD1-NH1 3.3Å; D80-S84 VanDerWaalsContact O-CB 3.29Å; D80-S84 WeakPolarHBondContact O-CB 2.89Å; D80-S84 PolarHBondContact O-N 3Å; D80-S84 PolarHBondContact O-OG 3.16Å
81V88.7Confident85.8Confident38 Ų3859.8 Ų59.823%0.2332%0.316CS..Hα-helixtrans-54.5-55.3167.51660000109.5N77 L78 R83 S84 I85 I98N77-V81 WeakPolarHBondContact O-CB 3.19Å; N77-V81 VanDerWaalsContact O-CG2 3.3Å; N77-V81 WeakPolarHBondContact O-CG2 3.38Å; N77-V81 PolarHBondContact O-N 3.24Å; L78-V81 PolarHBondContact O-N 3.35Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.37Å; V81-S84 PolarHBondContact O-N 3.04Å; V81-S84 VanDerWaalsContact O-N 3.16Å; V81-S84 PolarHBondContact O-OG 3.24Å; V81-I85 HydrophobicContact CG1-CD1 3.97Å; V81-I85 WeakPolarHBondContact O-CD1 3.37Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 3.28Å; V81-I85 PolarHBondContact O-N 3.27Å; V81-I98 HydrophobicContact CG1-CD1 3.9Å
82I87.2Confident86.2Confident27 Ų2759.9 Ų59.914%0.13832%0.316CS..Hα-helixtrans-63.2-37-178.4-67.7166.3000112.7K42 V45 M46 I49 L78 V79K42-I82 WeakPolarHBondContact CE-O 3.25Å; K42-I82 PolarHBondContact NZ-O 3.47Å; V45-I82 HydrophobicContact CG1-CD1 4.27Å; V45-I82 HydrophobicContact CG1-CG1 4.13Å; M46-I82 HydrophobicContact CB-CD1 4.17Å; M46-I82 HydrophobicContact CE-CD1 4.49Å; M46-I82 HydrophobicContact CG-CD1 4.34Å; M46-I82 HydrophobicContact SD-CD1 3.18Å; M46-I82 WeakPolarHBondContact SD-CD1 3.39Å; I49-I82 HydrophobicContact CD1-CD1 4.23Å; L78-I82 HydrophobicContact CD1-CD1 3.91Å; L78-I82 HydrophobicContact CD1-CG1 4.37Å; L78-I82 HydrophobicContact CG-CD1 4.16Å; L78-I82 WeakPolarHBondContact O-CG1 3.41Å; L78-I82 PolarHBondContact O-N 2.77Å; V79-I82 PolarHBondContact O-N 2.8Å
83R87.9Confident86.6Confident157 Ų15760 Ų6059%0.59232%0.322SS*.Hα-helixtrans-61.8-47.4174-76.9168.1176.7158.1-2.3111.2K42 V79 D80 V81 I85K42-R83 PolarHBondContact NZ-O 2.99Å; V79-R83 HydrophobicContact CG1-CG 4.38Å; V79-R83 WeakPolarHBondContact O-CB 3.04Å; V79-R83 VanDerWaalsContact O-CG 3.25Å; V79-R83 WeakPolarHBondContact O-CG 3.45Å; V79-R83 PolarHBondContact O-N 2.91Å; D80-R83 PolarHBondContact O-N 2.92Å; D80-R83 IonicContact OD1-CZ 3.84Å; D80-R83 IonicContact OD1-NH1 2.78Å; D80-R83 PolarHBondContact OD1-NH1 3.3Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.37Å; R83-I85 VanDerWaalsContact C-N 3.25Å; R83-I85 PolarHBondContact O-N 3.3Å
84S87.2Confident86.9Confident81 Ų8160.1 Ų60.157%0.56632%0.318SS*.Hα-helixtrans-64.6-22-171.673.10000115D80 V81D80-S84 VanDerWaalsContact O-CB 3.29Å; D80-S84 WeakPolarHBondContact O-CB 2.89Å; D80-S84 PolarHBondContact O-N 3Å; D80-S84 PolarHBondContact O-OG 3.16Å; V81-S84 PolarHBondContact O-N 3.04Å; V81-S84 VanDerWaalsContact O-N 3.16Å; V81-S84 PolarHBondContact O-OG 3.24Å
85I79.7Confident87.1Confident34 Ų3460 Ų6017%0.17432%0.318CS..  trans-88.4128.8-170.7-45139.3000111.2K42 V81 R83 Y90 Y94K42-I85 PolarHBondContact NZ-O 3.46Å; V81-I85 HydrophobicContact CG1-CD1 3.97Å; V81-I85 WeakPolarHBondContact O-CD1 3.37Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 3.28Å; V81-I85 PolarHBondContact O-N 3.27Å; R83-I85 VanDerWaalsContact C-N 3.25Å; R83-I85 PolarHBondContact O-N 3.3Å; I85-Y90 HydrophobicContact CB-CE1 3.67Å; I85-Y90 VanDerWaalsContact CB-OH 3.26Å; I85-Y90 WeakPolarHBondContact CB-OH 3.33Å; I85-Y90 HydrophobicContact CD1-CD1 4.48Å; I85-Y90 HydrophobicContact CD1-CE1 3.67Å; I85-Y90 HydrophobicContact CG1-CE1 4.17Å; I85-Y90 HydrophobicContact CG2-CE1 3.41Å; I85-Y90 VanDerWaalsContact CG2-CE1 3.41Å; I85-Y90 WeakPolarHBondContact CG2-OH 3.26Å; I85-Y90 PolarHBondContact O-OH 3.38Å; I85-Y94 HydrophobicContact CD1-CE1 4.21Å
86N81.6Confident87.2Confident159 Ų15961.3 Ų61.385%0.8532%0.324SS*.  trans-89.8-2.2-171.6-64.9-38.7000114.9
87S85.1Confident87.3Confident58 Ų5861.2 Ų61.241%0.40633%0.328SS..  trans-81146.3178.1-169.50000111.4N89 Y90S87-N89 WeakPolarHBondContact CB-O 3.31Å; S87-N89 PolarHBondContact OG-N 3.05Å; S87-N89 PolarHBondContact OG-O 3.18Å; S87-Y90 WeakPolarHBondContact O-CE2 3.49Å; S87-Y90 VanDerWaalsContact O-CZ 3.23Å; S87-Y90 PolarHBondContact O-OH 2.67Å
88D83.6Confident87.4Confident129 Ų12958.4 Ų58.469%0.6931%0.313SS*.SBendtrans-78.4-22.5167.9-71.9-42000112.5P41 K42P41-D88 CarbonylContact C-O 3.42Å; P41-D88 VanDerWaalsContact CA-O 3.31Å; P41-D88 WeakPolarHBondContact CA-O 3.18Å; K42-D88 PolarHBondContact N-O 2.98Å
89N84.2Confident87.4Confident64 Ų6458.6 Ų58.634%0.34231%0.314SS..EExtended strand (participates in β ladder)trans-133.6143.3-175.7-73-62.3000112H39 I40 P41 S87H39-N89 HydrophobicContact CB-CB 4.4Å; I40-N89 WeakPolarHBondContact O-CA 3.49Å; P41-N89 WeakPolarHBondContact CA-OD1 3.49Å; S87-N89 WeakPolarHBondContact CB-O 3.31Å; S87-N89 PolarHBondContact OG-N 3.05Å; S87-N89 PolarHBondContact OG-O 3.18Å
90Y86.6Confident87.4Confident9 Ų959.4 Ų59.44%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-126.5133.8-168.8-68.6-98.4000111H39 I40 K42 V45 I85 S87 F92 Y94 I95H39-Y90 CarbonylContact C-O 3.53Å; H39-Y90 VanDerWaalsContact CA-O 3.28Å; H39-Y90 WeakPolarHBondContact CA-O 3.25Å; I40-Y90 PolarHBondContact N-O 2.89Å; I40-Y90 WeakPolarHBondContact O-CD2 3.09Å; I40-Y90 PolarHBondContact O-N 2.89Å; K42-Y90 HydrophobicContact CB-CD2 4.44Å; K42-Y90 HydrophobicContact CB-CE2 3.69Å; K42-Y90 HydrophobicContact CD-CE2 4.39Å; K42-Y90 HydrophobicContact CG-CE2 3.8Å; V45-Y90 HydrophobicContact CG2-CD1 4.46Å; V45-Y90 HydrophobicContact CG2-CD2 3.51Å; V45-Y90 HydrophobicContact CG2-CE2 4.12Å; V45-Y90 HydrophobicContact CG2-CG 3.78Å; I85-Y90 HydrophobicContact CB-CE1 3.67Å; I85-Y90 VanDerWaalsContact CB-OH 3.26Å; I85-Y90 WeakPolarHBondContact CB-OH 3.33Å; I85-Y90 HydrophobicContact CD1-CD1 4.48Å; I85-Y90 HydrophobicContact CD1-CE1 3.67Å; I85-Y90 HydrophobicContact CG1-CE1 4.17Å; I85-Y90 HydrophobicContact CG2-CE1 3.41Å; I85-Y90 VanDerWaalsContact CG2-CE1 3.41Å; I85-Y90 WeakPolarHBondContact CG2-OH 3.26Å; I85-Y90 PolarHBondContact O-OH 3.38Å; S87-Y90 WeakPolarHBondContact O-CE2 3.49Å; S87-Y90 VanDerWaalsContact O-CZ 3.23Å; S87-Y90 PolarHBondContact O-OH 2.67Å; Y90-F92 PolarHBondContact O-N 3.01Å; Y90-Y94 HydrophobicContact CD1-CD1 4.36Å; Y90-Y94 HydrophobicContact CD1-CE1 4.46Å; Y90-I95 HydrophobicContact CG-CD1 4.5Å
91D88.1Confident87.5Confident87 Ų8760.5 Ų60.547%0.46532%0.32SS..EExtended strand (participates in β ladder)trans-61.4134.7169.3-179.683.3000110.7K38 G93 Y94 I95K38-D91 CarbonylContact O-C 3.54Å; K38-D91 WeakPolarHBondContact O-CA 3.41Å; D91-G93 VanDerWaalsContact C-N 3.34Å; D91-G93 PolarHBondContact O-N 2.88Å; D91-G93 VanDerWaalsContact OD2-CA 3.31Å; D91-G93 WeakPolarHBondContact OD2-CA 3.1Å; D91-G93 PolarHBondContact OD2-N 3.01Å; D91-Y94 PolarHBondContact O-N 2.97Å; D91-Y94 PolarHBondContact OD2-N 2.69Å; D91-I95 PolarHBondContact O-N 2.62Å
92F87.8Confident87.6Confident9 Ų959.1 Ų59.14%0.03931%0.313CS..Hα-helixtrans-59.3-43-179.5-167.3-68.3000112.5H35 V37 K38 I40 Y48 L52 Y90 Y94 I95 Q96H35-F92 HydrophobicContact CB-CB 4.5Å; H35-F92 HydrophobicContact CB-CD1 3.7Å; H35-F92 HydrophobicContact CB-CD2 3.7Å; H35-F92 HydrophobicContact CB-CE1 3.93Å; H35-F92 HydrophobicContact CB-CE2 3.83Å; H35-F92 HydrophobicContact CB-CG 3.67Å; H35-F92 HydrophobicContact CB-CZ 3.97Å; H35-F92 AromaticContact CD2-CD1 3.41Å; H35-F92 VanDerWaalsContact CD2-CD1 3.41Å; H35-F92 WeakPolarHBondContact CD2-CD1 3.48Å; H35-F92 AromaticContact CD2-CE1 2.91Å; H35-F92 WeakPolarHBondContact CD2-CE1 3.41Å; H35-F92 AromaticContact CD2-CZ 3.29Å; H35-F92 WeakPolarHBondContact CD2-CZ 3.32Å; H35-F92 AromaticContact CE1-CE1 3.76Å; H35-F92 AromaticContact CE1-CZ 3.32Å; H35-F92 WeakPolarHBondContact CE1-CZ 3.21Å; H35-F92 AromaticContact CG-CD1 3.61Å; H35-F92 AromaticContact CG-CD2 3.94Å; H35-F92 AromaticContact CG-CE1 3.3Å; H35-F92 AromaticContact CG-CE2 3.57Å; H35-F92 AromaticContact CG-CG 3.99Å; H35-F92 AromaticContact CG-CZ 3.26Å; H35-F92 AromaticContact ND1-CE1 3.8Å; H35-F92 AromaticContact ND1-CE2 3.56Å; H35-F92 AromaticContact ND1-CZ 3.28Å; H35-F92 VanDerWaalsContact ND1-CZ 3.28Å; H35-F92 WeakPolarHBondContact ND1-CZ 3.49Å; H35-F92 AromaticContact NE2-CE1 3.26Å; H35-F92 VanDerWaalsContact NE2-CE1 3.26Å; H35-F92 WeakPolarHBondContact NE2-CE1 3.45Å; H35-F92 AromaticContact NE2-CZ 3.33Å; H35-F92 VanDerWaalsContact NE2-CZ 3.33Å; H35-F92 WeakPolarHBondContact NE2-CZ 3.39Å; V37-F92 WeakPolarHBondContact O-CB 3.2Å; V37-F92 WeakPolarHBondContact O-CD2 3.49Å; K38-F92 PolarHBondContact O-N 3.05Å; I40-F92 HydrophobicContact CD1-CD2 3.45Å; I40-F92 VanDerWaalsContact CD1-CD2 3.45Å; I40-F92 HydrophobicContact CD1-CE2 3.86Å; I40-F92 HydrophobicContact CD1-CG 4.26Å; I40-F92 HydrophobicContact CG1-CD2 4.46Å; Y48-F92 HydrophobicContact CD1-CD2 4.47Å; Y48-F92 AromaticContact CD1-CE2 3.7Å; Y48-F92 HydrophobicContact CD1-CE2 3.7Å; Y48-F92 HydrophobicContact CD1-CZ 4.34Å; Y48-F92 HydrophobicContact CE1-CD2 4.47Å; Y48-F92 AromaticContact CE1-CE2 3.84Å; Y48-F92 HydrophobicContact CE1-CE2 3.84Å; L52-F92 HydrophobicContact CD1-CE1 3.88Å; L52-F92 HydrophobicContact CD1-CZ 3.7Å; L52-F92 HydrophobicContact CD2-CE1 4.35Å; L52-F92 HydrophobicContact CD2-CZ 3.99Å; L52-F92 HydrophobicContact CG-CZ 4.32Å; Y90-F92 PolarHBondContact O-N 3.01Å; F92-Y94 VanDerWaalsContact C-N 3.26Å; F92-Y94 PolarHBondContact O-N 3.08Å; F92-I95 WeakPolarHBondContact O-CA 3.44Å; F92-I95 WeakPolarHBondContact O-CB 3.39Å; F92-I95 PolarHBondContact O-N 3.35Å; F92-I95 VanDerWaalsContact O-N 3.08Å; F92-Q96 HydrophobicContact CD1-CB 4.23Å; F92-Q96 HydrophobicContact CE1-CB 4Å; F92-Q96 HydrophobicContact CE1-CG 4.43Å; F92-Q96 PolarHBondContact O-N 3.43Å
93G87Confident87.7Confident30 Ų3057.9 Ų57.931%0.30931%0.306SS..Hα-helixtrans-62.6-34.6-177.800000112.4D91 Q96 T97D91-G93 VanDerWaalsContact C-N 3.34Å; D91-G93 PolarHBondContact O-N 2.88Å; D91-G93 VanDerWaalsContact OD2-CA 3.31Å; D91-G93 WeakPolarHBondContact OD2-CA 3.1Å; D91-G93 PolarHBondContact OD2-N 3.01Å; G93-Q96 PolarHBondContact O-N 2.92Å; G93-T97 WeakPolarHBondContact O-CB 3.48Å; G93-T97 PolarHBondContact O-N 3.44Å; G93-T97 PolarHBondContact O-OG1 3.37Å
94Y89Confident87.7Confident111 Ų11153.3 Ų53.344%0.43529%0.291SS..Hα-helixtrans-64.7-45.5170.9-179-112.4000112.2I85 Y90 D91 F92 Q96 T97 I98I85-Y94 HydrophobicContact CD1-CE1 4.21Å; Y90-Y94 HydrophobicContact CD1-CD1 4.36Å; Y90-Y94 HydrophobicContact CD1-CE1 4.46Å; D91-Y94 PolarHBondContact O-N 2.97Å; D91-Y94 PolarHBondContact OD2-N 2.69Å; F92-Y94 VanDerWaalsContact C-N 3.26Å; F92-Y94 PolarHBondContact O-N 3.08Å; Y94-Q96 VanDerWaalsContact C-N 3.35Å; Y94-Q96 PolarHBondContact O-N 2.98Å; Y94-T97 WeakPolarHBondContact O-CB 3.45Å; Y94-T97 PolarHBondContact O-N 3.08Å; Y94-I98 HydrophobicContact CD1-CD1 3.85Å; Y94-I98 HydrophobicContact CE1-CD1 3.37Å; Y94-I98 HydrophobicContact CE1-CG1 4.37Å; Y94-I98 HydrophobicContact CE2-CD1 4.25Å; Y94-I98 HydrophobicContact CE2-CG1 4.43Å; Y94-I98 HydrophobicContact CG-CD1 4.48Å; Y94-I98 PolarHBondContact O-N 3.17Å
95I90.9Very high87.8Confident0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-59.2-44.8174.7-73.4171.5000111.5I40 V45 I49 L52 Y90 D91 F92 T97 I98 A99I40-I95 HydrophobicContact CB-CD1 3.73Å; I40-I95 HydrophobicContact CD1-CD1 3.5Å; I40-I95 HydrophobicContact CG1-CD1 4.17Å; I40-I95 HydrophobicContact CG2-CD1 4.11Å; V45-I95 HydrophobicContact CG1-CD1 4.25Å; V45-I95 HydrophobicContact CG1-CG1 4.16Å; V45-I95 HydrophobicContact CG2-CD1 4.06Å; I49-I95 HydrophobicContact CG1-CG2 3.8Å; L52-I95 HydrophobicContact CD1-CG2 4.01Å; Y90-I95 HydrophobicContact CG-CD1 4.5Å; D91-I95 PolarHBondContact O-N 2.62Å; F92-I95 WeakPolarHBondContact O-CA 3.44Å; F92-I95 WeakPolarHBondContact O-CB 3.39Å; F92-I95 PolarHBondContact O-N 3.35Å; F92-I95 VanDerWaalsContact O-N 3.08Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.16Å; I95-I98 PolarHBondContact O-N 3.02Å; I95-A99 WeakPolarHBondContact O-CB 3.43Å; I95-A99 PolarHBondContact O-N 3.24Å
96Q89.8Confident88.1Confident43 Ų4351.5 Ų51.520%0.20127%0.271CS..Hα-helixtrans-61.9-38.8177.8-165.5-173.37.900111.7V31 L52 F92 G93 Y94 A99 L100V31-Q96 PolarHBondContact O-NE2 3.21Å; L52-Q96 HydrophobicContact CD1-CB 4.5Å; F92-Q96 HydrophobicContact CD1-CB 4.23Å; F92-Q96 HydrophobicContact CE1-CB 4Å; F92-Q96 HydrophobicContact CE1-CG 4.43Å; F92-Q96 PolarHBondContact O-N 3.43Å; G93-Q96 PolarHBondContact O-N 2.92Å; Y94-Q96 VanDerWaalsContact C-N 3.35Å; Y94-Q96 PolarHBondContact O-N 2.98Å; Q96-A99 PolarHBondContact O-N 2.98Å; Q96-L100 WeakPolarHBondContact O-CB 3.2Å; Q96-L100 PolarHBondContact O-N 2.86Å
97T89.4Confident88.3Confident80 Ų8043.9 Ų43.949%0.49123%0.231SC..Hα-helixtrans-65-47.9176.2-57.70000110.9G93 Y94 I95 A99 L100 E101G93-T97 WeakPolarHBondContact O-CB 3.48Å; G93-T97 PolarHBondContact O-N 3.44Å; G93-T97 PolarHBondContact O-OG1 3.37Å; Y94-T97 WeakPolarHBondContact O-CB 3.45Å; Y94-T97 PolarHBondContact O-N 3.08Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.16Å; T97-A99 VanDerWaalsContact C-N 3.31Å; T97-A99 PolarHBondContact O-N 3.25Å; T97-L100 PolarHBondContact O-N 3.43Å; T97-E101 HydrophobicContact CG2-CG 4.39Å; T97-E101 WeakPolarHBondContact O-CG 3.21Å; T97-E101 PolarHBondContact O-N 3.22Å
98I91.7Very high88.3Confident19 Ų1945.6 Ų45.610%0.09723%0.231CC..Hα-helixtrans-58.5-45.1175.2-64.6164.2000110.7I49 L78 V81 Y94 I95 L100 E101 S102I49-I98 HydrophobicContact CD1-CB 4.18Å; I49-I98 HydrophobicContact CD1-CG2 3.8Å; L78-I98 HydrophobicContact CD1-CG2 3.7Å; V81-I98 HydrophobicContact CG1-CD1 3.9Å; Y94-I98 HydrophobicContact CD1-CD1 3.85Å; Y94-I98 HydrophobicContact CE1-CD1 3.37Å; Y94-I98 HydrophobicContact CE1-CG1 4.37Å; Y94-I98 HydrophobicContact CE2-CD1 4.25Å; Y94-I98 HydrophobicContact CE2-CG1 4.43Å; Y94-I98 HydrophobicContact CG-CD1 4.48Å; Y94-I98 PolarHBondContact O-N 3.17Å; I95-I98 PolarHBondContact O-N 3.02Å; I98-L100 PolarHBondContact O-N 3.12Å; I98-E101 PolarHBondContact O-N 2.89Å; I98-S102 WeakPolarHBondContact O-CB 3.23Å; I98-S102 PolarHBondContact O-N 3.25Å; I98-S102 PolarHBondContact O-OG 3.08Å
99A91.5Very high88.2Confident3 Ų341.9 Ų41.93%0.02521%0.211CC..Hα-helixtrans-61.3-44.3-179.700000112.4I49 L52 I95 Q96 T97 L103I49-A99 HydrophobicContact CB-CB 4.38Å; I49-A99 HydrophobicContact CG1-CB 4.47Å; I49-A99 HydrophobicContact CG2-CB 3.98Å; L52-A99 HydrophobicContact CB-CB 3.98Å; L52-A99 HydrophobicContact CD1-CB 4.48Å; I95-A99 WeakPolarHBondContact O-CB 3.43Å; I95-A99 PolarHBondContact O-N 3.24Å; Q96-A99 PolarHBondContact O-N 2.98Å; T97-A99 VanDerWaalsContact C-N 3.31Å; T97-A99 PolarHBondContact O-N 3.25Å; A99-L103 VanDerWaalsContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CB 3.48Å; A99-L103 PolarHBondContact O-N 2.64Å
100L89.3Confident88Confident38 Ų3839.5 Ų39.520%0.19920%0.199CC..Hα-helixtrans-68.2-44.7179.1-177.561.4000112.4L15 Q96 T97 I98 L103 K104L15-L100 HydrophobicContact CD2-CD1 4.03Å; Q96-L100 WeakPolarHBondContact O-CB 3.2Å; Q96-L100 PolarHBondContact O-N 2.86Å; T97-L100 PolarHBondContact O-N 3.43Å; I98-L100 PolarHBondContact O-N 3.12Å; L100-L103 PolarHBondContact O-N 3.18Å; L100-K104 HydrophobicContact CG-CD 4.48Å; L100-K104 WeakPolarHBondContact O-CG 3.16Å; L100-K104 PolarHBondContact O-N 3.25Å
101E90.6Very high87.6Confident94 Ų9441.8 Ų41.844%0.43921%0.21SC..Hα-helixtrans-69.2-37.1178.9-65.1-48.9124.100112.1T97 I98 L103 K104 K105T97-E101 HydrophobicContact CG2-CG 4.39Å; T97-E101 WeakPolarHBondContact O-CG 3.21Å; T97-E101 PolarHBondContact O-N 3.22Å; I98-E101 PolarHBondContact O-N 2.89Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.23Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 IonicContact OE1-NZ 2.69Å; E101-K104 PolarHBondContact OE1-NZ 2.66Å; E101-K104 IonicContact OE2-NZ 3.35Å; E101-K105 WeakPolarHBondContact O-CB 3.12Å; E101-K105 PolarHBondContact O-N 3.19Å
102S91.4Very high87.2Confident10 Ų1042 Ų427%0.0721%0.211CC..Hα-helixtrans-62.5-40.8172-56.10000111.2L68 I98 K105 A106L68-S102 VanDerWaalsContact CD2-C 3.41Å; L68-S102 WeakPolarHBondContact CD2-O 3.49Å; I98-S102 WeakPolarHBondContact O-CB 3.23Å; I98-S102 PolarHBondContact O-N 3.25Å; I98-S102 PolarHBondContact O-OG 3.08Å; S102-K105 PolarHBondContact O-N 2.68Å; S102-A106 WeakPolarHBondContact O-CB 3.18Å; S102-A106 PolarHBondContact O-N 3.03Å
103L89.1Confident86.4Confident1 Ų144.6 Ų44.61%0.00523%0.228CC..Hα-helixtrans-68.6-44.3179-179.960.3000111.8L15 A53 Q56 F67 L68 A99 L100 E101 K105 A106 I107L15-L103 HydrophobicContact CD1-CG 4.43Å; A53-L103 HydrophobicContact CB-CB 4.39Å; A53-L103 HydrophobicContact CB-CD2 4.38Å; Q56-L103 HydrophobicContact CB-CD2 3.63Å; Q56-L103 HydrophobicContact CG-CD2 4.28Å; F67-L103 HydrophobicContact CB-CD1 3.99Å; F67-L103 HydrophobicContact CD2-CD1 3.9Å; F67-L103 HydrophobicContact CG-CD1 4.24Å; L68-L103 HydrophobicContact CD2-CB 4.19Å; A99-L103 VanDerWaalsContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CB 3.48Å; A99-L103 PolarHBondContact O-N 2.64Å; L100-L103 PolarHBondContact O-N 3.18Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 3.23Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 3.49Å; L103-A106 PolarHBondContact O-N 3.19Å; L103-I107 HydrophobicContact CD1-CD1 3.65Å; L103-I107 HydrophobicContact CD1-CG1 4.14Å; L103-I107 HydrophobicContact CG-CD1 3.76Å; L103-I107 WeakPolarHBondContact O-CB 3.32Å; L103-I107 WeakPolarHBondContact O-CG1 3.17Å; L103-I107 PolarHBondContact O-N 2.88Å
104K89.2Confident85.1Confident60 Ų6048 Ų4826%0.26124%0.238SC..Hα-helixtrans-56.7-45.3171.4-74.4170.6179.8171.60111.4L15 L100 E101 K108L15-K104 HydrophobicContact CB-CG 4.39Å; L100-K104 HydrophobicContact CG-CD 4.48Å; L100-K104 WeakPolarHBondContact O-CG 3.16Å; L100-K104 PolarHBondContact O-N 3.25Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 IonicContact OE1-NZ 2.69Å; E101-K104 PolarHBondContact OE1-NZ 2.66Å; E101-K104 IonicContact OE2-NZ 3.35Å; K104-K108 VanDerWaalsContact O-CB 3.25Å; K104-K108 WeakPolarHBondContact O-CB 3.46Å; K104-K108 PolarHBondContact O-N 3.49Å
105K89Confident83.6Confident77 Ų7746 Ų4634%0.33524%0.235SC..Hα-helixtrans-62.6-43.5177.4-173.2-175.2174.1-163.90111.7E73 V74 E101 S102 L103 K108 L109E73-K105 PolarHBondContact O-NZ 3.23Å; V74-K105 HydrophobicContact CG2-CB 4.18Å; V74-K105 HydrophobicContact CG2-CD 3.95Å; V74-K105 HydrophobicContact CG2-CG 3.89Å; E101-K105 WeakPolarHBondContact O-CB 3.12Å; E101-K105 PolarHBondContact O-N 3.19Å; S102-K105 PolarHBondContact O-N 2.68Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 3.49Å; K105-K108 PolarHBondContact O-N 2.98Å; K105-L109 HydrophobicContact CG-CD1 4.16Å; K105-L109 WeakPolarHBondContact O-CG 3.26Å; K105-L109 PolarHBondContact O-N 3.47Å
106A86.3Confident82Confident0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-63.2-49.7177.300000111.8F67 L68 V71 V74 S102 L103 K108 L109 C110F67-A106 HydrophobicContact CB-CB 3.9Å; L68-A106 HydrophobicContact CD2-CB 4.27Å; V71-A106 HydrophobicContact CB-CB 4.37Å; V71-A106 HydrophobicContact CG2-CB 4.02Å; V74-A106 HydrophobicContact CG1-CB 4.38Å; V74-A106 HydrophobicContact CG2-CB 3.94Å; S102-A106 WeakPolarHBondContact O-CB 3.18Å; S102-A106 PolarHBondContact O-N 3.03Å; L103-A106 PolarHBondContact O-N 3.19Å; A106-K108 VanDerWaalsContact C-N 3.31Å; A106-K108 PolarHBondContact O-N 2.79Å; A106-L109 PolarHBondContact O-N 2.99Å; A106-C110 WeakPolarHBondContact O-CB 3.35Å; A106-C110 PolarHBondContact O-N 3.33Å; A106-C110 PolarHBondContact O-SG 2.89Å
107I84.3Confident80.4Confident0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-63.5-38.6178.4-71165.3000111.1M11 A12 L15 V17 F67 L103 C110 H111M11-I107 HydrophobicContact CB-CD1 4Å; M11-I107 HydrophobicContact CB-CG2 4.47Å; M11-I107 HydrophobicContact SD-CD1 4.3Å; A12-I107 HydrophobicContact CB-CG2 3.76Å; L15-I107 HydrophobicContact CD1-CD1 3.44Å; L15-I107 VanDerWaalsContact CD1-CD1 3.44Å; V17-I107 HydrophobicContact CG2-CG2 4.38Å; F67-I107 HydrophobicContact CD1-CG1 4.31Å; F67-I107 HydrophobicContact CD2-CG1 4.34Å; F67-I107 HydrophobicContact CE1-CG1 4.25Å; F67-I107 HydrophobicContact CE2-CG1 4.29Å; F67-I107 HydrophobicContact CG-CG1 4.36Å; F67-I107 HydrophobicContact CZ-CG1 4.27Å; L103-I107 HydrophobicContact CD1-CD1 3.65Å; L103-I107 HydrophobicContact CD1-CG1 4.14Å; L103-I107 HydrophobicContact CG-CD1 3.76Å; L103-I107 WeakPolarHBondContact O-CB 3.32Å; L103-I107 WeakPolarHBondContact O-CG1 3.17Å; L103-I107 PolarHBondContact O-N 2.88Å; I107-C110 PolarHBondContact O-N 3.37Å; I107-H111 WeakPolarHBondContact O-CB 2.96Å; I107-H111 PolarHBondContact O-N 3.48Å
108K85.3Confident78.8Confident93 Ų9354.9 Ų54.940%0.40428%0.276SS..Hα-helixtrans-59.1-51.1172.9-171.3175.3176.8-178.10111.7V17 K104 K105 A106 C110 H111 D112V17-K108 HydrophobicContact CG1-CB 3.44Å; V17-K108 VanDerWaalsContact CG1-CB 3.44Å; V17-K108 HydrophobicContact CG1-CD 4.06Å; V17-K108 HydrophobicContact CG1-CG 3.65Å; K104-K108 VanDerWaalsContact O-CB 3.25Å; K104-K108 WeakPolarHBondContact O-CB 3.46Å; K104-K108 PolarHBondContact O-N 3.49Å; K105-K108 PolarHBondContact O-N 2.98Å; A106-K108 VanDerWaalsContact C-N 3.31Å; A106-K108 PolarHBondContact O-N 2.79Å; K108-C110 PolarHBondContact O-N 2.93Å; K108-H111 PolarHBondContact O-N 2.89Å; K108-H111 VanDerWaalsContact O-N 3.15Å; K108-D112 WeakPolarHBondContact CE-OD2 3.29Å; K108-D112 WeakPolarHBondContact CG-OD2 3.5Å; K108-D112 WeakPolarHBondContact O-CB 3.47Å; K108-D112 PolarHBondContact O-N 2.9Å
109L82.4Confident77Confident51 Ų5154.8 Ų54.827%0.26728%0.278SS..Hα-helixtrans-58.9-49.6178.7-73.5165.8000110.1V71 E73 V74 K105 A106 H111 D112 T113V71-L109 HydrophobicContact CG1-CB 4.15Å; V71-L109 HydrophobicContact CG1-CD1 3.56Å; V71-L109 HydrophobicContact CG1-CG 4.5Å; E73-L109 HydrophobicContact CB-CD1 4.22Å; V74-L109 HydrophobicContact CG2-CD1 3.95Å; K105-L109 HydrophobicContact CG-CD1 4.16Å; K105-L109 WeakPolarHBondContact O-CG 3.26Å; K105-L109 PolarHBondContact O-N 3.47Å; A106-L109 PolarHBondContact O-N 2.99Å; L109-H111 VanDerWaalsContact C-N 3.25Å; L109-H111 PolarHBondContact O-N 3.48Å; L109-D112 PolarHBondContact O-N 2.85Å; L109-T113 PolarHBondContact O-N 3.13Å; L109-T113 PolarHBondContact O-OG1 3.39Å
110C78.7Confident75.3Confident15 Ų1560.6 Ų60.610%0.10130%0.304CS..Hα-helixtrans-61.1-27.8176.2-64.90000114.9V8 A106 I107 K108 Y123V8-C110 HydrophobicContact CG1-CB 4.22Å; A106-C110 WeakPolarHBondContact O-CB 3.35Å; A106-C110 PolarHBondContact O-N 3.33Å; A106-C110 PolarHBondContact O-SG 2.89Å; I107-C110 PolarHBondContact O-N 3.37Å; K108-C110 PolarHBondContact O-N 2.93Å; C110-Y123 WeakPolarHBondContact CB-OH 3.32Å; C110-Y123 PolarHBondContact SG-OH 3.44Å
111H79.2Confident73.6Confident56 Ų5663.9 Ų63.926%0.25931%0.314SS..Hα-helixtrans-80.4-43.8176.6179.1-84.3000111.8V8 H18 I107 K108 L109 I114V8-H111 HydrophobicContact CG1-CB 4.23Å; H18-H111 AromaticContact CD2-ND1 3.94Å; H18-H111 AromaticContact CE1-ND1 3.85Å; H18-H111 AromaticContact NE2-CE1 3.78Å; H18-H111 AromaticContact NE2-CG 3.81Å; H18-H111 AromaticContact NE2-ND1 3.24Å; H18-H111 PolarHBondContact NE2-ND1 3.29Å; I107-H111 WeakPolarHBondContact O-CB 2.96Å; I107-H111 PolarHBondContact O-N 3.48Å; K108-H111 PolarHBondContact O-N 2.89Å; K108-H111 VanDerWaalsContact O-N 3.15Å; L109-H111 VanDerWaalsContact C-N 3.25Å; L109-H111 PolarHBondContact O-N 3.48Å; H111-I114 VanDerWaalsContact O-CG1 3.25Å; H111-I114 WeakPolarHBondContact O-CG1 3.34Å
112D79.7Confident71.9Confident91 Ų9161.2 Ų61.249%0.48730%0.301SS..Hα-helixtrans-73-42-179.8-68.6-15.9000111.2H18 K108 L109 I114H18-D112 IonicContact CE1-OD1 3.67Å; H18-D112 PolarHBondContact CE1-OD1 3.27Å; H18-D112 IonicContact NE2-OD1 2.79Å; K108-D112 WeakPolarHBondContact CE-OD2 3.29Å; K108-D112 WeakPolarHBondContact CG-OD2 3.5Å; K108-D112 WeakPolarHBondContact O-CB 3.47Å; K108-D112 PolarHBondContact O-N 2.9Å; L109-D112 PolarHBondContact O-N 2.85Å; D112-I114 PolarHBondContact O-N 2.9Å
113T70.6Confident70.4Confident64 Ų6461.8 Ų61.839%0.39330%0.302SS..  trans-87.978.6170.164.30000110.4L109 D115L109-T113 PolarHBondContact O-N 3.13Å; L109-T113 PolarHBondContact O-OG1 3.39Å; T113-D115 PolarHBondContact O-N 3.4Å
114I59.5Low68.9Low103 Ų10365 Ų6553%0.52832%0.324SS..  trans-70.840.2161.4-38.5-179.6000110.6H111 D112 K116H111-I114 VanDerWaalsContact O-CG1 3.25Å; H111-I114 WeakPolarHBondContact O-CG1 3.34Å; D112-I114 PolarHBondContact O-N 2.9Å; I114-K116 PolarHBondContact O-N 3.18Å; I114-K116 VanDerWaalsContact O-N 3.1Å
115D57Low67.8Low68 Ų6863.9 Ų63.936%0.36432%0.318SS..  trans-68.3103.4159.7-176.7-8.4000107.2T113 T117 L118 C119T113-D115 PolarHBondContact O-N 3.4Å; D115-T117 VanDerWaalsContact CG-OG1 3.23Å; D115-T117 PolarHBondContact O-N 3.23Å; D115-T117 VanDerWaalsContact O-N 3.12Å; D115-T117 VanDerWaalsContact OD1-CB 3.32Å; D115-T117 WeakPolarHBondContact OD1-CB 3.46Å; D115-T117 PolarHBondContact OD1-N 3.05Å; D115-T117 PolarHBondContact OD1-OG1 3.26Å; D115-T117 PolarHBondContact OD2-OG1 2.04Å; D115-L118 HydrophobicContact CB-CB 4.26Å; D115-L118 PolarHBondContact O-N 3.24Å; D115-C119 PolarHBondContact O-N 3.35Å; D115-C119 PolarHBondContact O-SG 2.9Å; D115-C119 VanDerWaalsContact O-SG 3.41Å
116K57.4Low66.7Low149 Ų14960.2 Ų60.265%0.64830%0.303SS*.Hα-helixtrans-56.6-26.6178.4-63.3178.3-178.9177.50111.7I114 Q120I114-K116 PolarHBondContact O-N 3.18Å; I114-K116 VanDerWaalsContact O-N 3.1Å; K116-Q120 WeakPolarHBondContact O-CB 3.28Å; K116-Q120 PolarHBondContact O-N 3.02Å
117T57.5Low66.4Low93 Ų9360.9 Ų60.957%0.57131%0.307SS*.Hα-helixtrans-76-49.2-176.972.70000111.9D115 C119 Q120 Y121D115-T117 VanDerWaalsContact CG-OG1 3.23Å; D115-T117 PolarHBondContact O-N 3.23Å; D115-T117 VanDerWaalsContact O-N 3.12Å; D115-T117 VanDerWaalsContact OD1-CB 3.32Å; D115-T117 WeakPolarHBondContact OD1-CB 3.46Å; D115-T117 PolarHBondContact OD1-N 3.05Å; D115-T117 PolarHBondContact OD1-OG1 3.26Å; D115-T117 PolarHBondContact OD2-OG1 2.04Å; T117-C119 PolarHBondContact O-N 3.17Å; T117-Q120 PolarHBondContact O-N 3.2Å; T117-Y121 WeakPolarHBondContact O-CB 3.32Å; T117-Y121 PolarHBondContact O-N 3.34Å
118L54.8Low66.3Low67 Ų6760.9 Ų60.935%0.35131%0.307SS..Hα-helixtrans-52.2-48.7172-121.9101.6000110.1D115 Y122D115-L118 HydrophobicContact CB-CB 4.26Å; D115-L118 PolarHBondContact O-N 3.24Å; L118-Y122 HydrophobicContact CB-CE2 4.49Å; L118-Y122 HydrophobicContact CD2-CD2 4.29Å; L118-Y122 HydrophobicContact CD2-CE2 3.78Å; L118-Y122 HydrophobicContact CG-CD2 4.26Å; L118-Y122 HydrophobicContact CG-CE2 3.73Å; L118-Y122 WeakPolarHBondContact O-CB 3.43Å; L118-Y122 WeakPolarHBondContact O-CD2 3.45Å; L118-Y122 PolarHBondContact O-N 3.27Å
119C54.8Low66.1Low18 Ų1859.8 Ų59.812%0.12231%0.306CS..Hα-helixtrans-59.3-58.3176.3-67.20000111.6M1 D115 T117 Y121 Y122 Y123M1-C119 HydrophobicContact CE-CB 4.27Å; D115-C119 PolarHBondContact O-N 3.35Å; D115-C119 PolarHBondContact O-SG 2.9Å; D115-C119 VanDerWaalsContact O-SG 3.41Å; T117-C119 PolarHBondContact O-N 3.17Å; C119-Y121 VanDerWaalsContact C-N 3.27Å; C119-Y121 PolarHBondContact O-N 3.5Å; C119-Y122 PolarHBondContact O-N 3.34Å; C119-Y123 VanDerWaalsContact C-CD2 3.47Å; C119-Y123 HydrophobicContact CB-CD2 3.71Å; C119-Y123 HydrophobicContact CB-CE2 3.71Å; C119-Y123 WeakPolarHBondContact O-CB 3.47Å; C119-Y123 WeakPolarHBondContact O-CD2 3.44Å; C119-Y123 PolarHBondContact O-N 3.42Å
120Q56.1Low65.8Low124 Ų12459.7 Ų59.758%0.57931%0.309SS*.Hα-helixtrans-60.1-36.7-172.5-175.8170.7-1100112.9M1 K116 T117 S124M1-Q120 HydrophobicContact CE-CB 3.91Å; M1-Q120 HydrophobicContact SD-CB 4.14Å; M1-Q120 HydrophobicContact SD-CG 4.35Å; K116-Q120 WeakPolarHBondContact O-CB 3.28Å; K116-Q120 PolarHBondContact O-N 3.02Å; T117-Q120 PolarHBondContact O-N 3.2Å; Q120-S124 WeakPolarHBondContact O-CB 3.47Å
121Y53.2Low65.8Low107 Ų10760.7 Ų60.742%0.4231%0.313SS..Hα-helixtrans-67.4-57.5177-167.4-104.3000111.2T117 C119 S124 Q170 S171T117-Y121 WeakPolarHBondContact O-CB 3.32Å; T117-Y121 PolarHBondContact O-N 3.34Å; C119-Y121 VanDerWaalsContact C-N 3.27Å; C119-Y121 PolarHBondContact O-N 3.5Å; Y121-S124 PolarHBondContact O-OG 3.04Å; Y121-Q170 HydrophobicContact CE1-CB 4.11Å; Y121-Q170 VanDerWaalsContact OH-C 3.27Å; Y121-Q170 WeakPolarHBondContact OH-CB 3.31Å; Y121-Q170 PolarHBondContact OH-N 2.98Å; Y121-S171 PolarHBondContact OH-N 3.13Å
122Y55Low66.2Low38 Ų3861 Ų6115%0.14932%0.317CS..Hα-helixtrans-71-39-173.3-62.6-39.5000113.9Y70 L118 C119 S124Y70-Y122 VanDerWaalsContact CD1-CB 3.46Å; Y70-Y122 AromaticContact CD1-CD1 3.33Å; Y70-Y122 HydrophobicContact CD1-CD1 3.33Å; Y70-Y122 HydrophobicContact CD1-CE1 4.21Å; Y70-Y122 AromaticContact CD1-CG 3.54Å; Y70-Y122 HydrophobicContact CD1-CG 3.54Å; Y70-Y122 AromaticContact CE1-CD1 3.81Å; Y70-Y122 HydrophobicContact CE1-CD1 3.81Å; Y70-Y122 HydrophobicContact CE1-CG 4.18Å; Y70-Y122 WeakPolarHBondContact CE1-O 3.43Å; Y70-Y122 HydrophobicContact CG-CD1 4.33Å; Y70-Y122 HydrophobicContact CG-CG 4.14Å; Y70-Y122 WeakPolarHBondContact O-CE2 3.49Å; Y70-Y122 PolarHBondContact OH-O 2.68Å; L118-Y122 HydrophobicContact CB-CE2 4.49Å; L118-Y122 HydrophobicContact CD2-CD2 4.29Å; L118-Y122 HydrophobicContact CD2-CE2 3.78Å; L118-Y122 HydrophobicContact CG-CD2 4.26Å; L118-Y122 HydrophobicContact CG-CE2 3.73Å; L118-Y122 WeakPolarHBondContact O-CB 3.43Å; L118-Y122 WeakPolarHBondContact O-CD2 3.45Å; L118-Y122 PolarHBondContact O-N 3.27Å; C119-Y122 PolarHBondContact O-N 3.34Å; Y122-S124 VanDerWaalsContact C-N 3.33Å; Y122-S124 PolarHBondContact O-N 3.27Å
123Y59.1Low66.7Low23 Ų2356.7 Ų56.79%0.0929%0.294CS..Hα-helixtrans-82-9.8-175.6-58.9-64.9000114.6L4 F67 C110 C119 R125 A126L4-Y123 HydrophobicContact CD1-CD1 3.29Å; L4-Y123 HydrophobicContact CD1-CD2 3.81Å; L4-Y123 HydrophobicContact CD1-CE1 3.58Å; L4-Y123 HydrophobicContact CD1-CE2 4.09Å; L4-Y123 HydrophobicContact CD1-CG 3.41Å; L4-Y123 VanDerWaalsContact CD1-CG 3.41Å; L4-Y123 HydrophobicContact CD2-CD1 4.2Å; L4-Y123 HydrophobicContact CD2-CD2 3.01Å; L4-Y123 HydrophobicContact CD2-CE2 3.51Å; L4-Y123 HydrophobicContact CD2-CG 3.41Å; L4-Y123 VanDerWaalsContact CD2-CG 3.41Å; L4-Y123 HydrophobicContact CG-CD1 4.3Å; L4-Y123 HydrophobicContact CG-CD2 3.92Å; L4-Y123 HydrophobicContact CG-CE2 4.22Å; L4-Y123 HydrophobicContact CG-CG 3.96Å; F67-Y123 HydrophobicContact CD1-CE1 4.21Å; F67-Y123 AromaticContact CE1-CE1 3.71Å; F67-Y123 HydrophobicContact CE1-CE1 3.71Å; F67-Y123 AromaticContact CE1-CZ 3.95Å; F67-Y123 WeakPolarHBondContact CE1-OH 3.48Å; F67-Y123 HydrophobicContact CZ-CE1 4.33Å; C110-Y123 WeakPolarHBondContact CB-OH 3.32Å; C110-Y123 PolarHBondContact SG-OH 3.44Å; C119-Y123 VanDerWaalsContact C-CD2 3.47Å; C119-Y123 HydrophobicContact CB-CD2 3.71Å; C119-Y123 HydrophobicContact CB-CE2 3.71Å; C119-Y123 WeakPolarHBondContact O-CB 3.47Å; C119-Y123 WeakPolarHBondContact O-CD2 3.44Å; C119-Y123 PolarHBondContact O-N 3.42Å; Y123-R125 PolarHBondContact O-N 3.37Å; Y123-R125 VanDerWaalsContact O-N 3.12Å; Y123-A126 HydrophobicContact CD1-CB 4.26Å; Y123-A126 PolarHBondContact O-N 3.03Å
124S58.8Low67.6Low69 Ų6953.9 Ų53.948%0.48328%0.276SS..Hα-helixtrans-57.2-26175.664.90000113.2Q120 Y121 Y122 S130Q120-S124 WeakPolarHBondContact O-CB 3.47Å; Y121-S124 PolarHBondContact O-OG 3.04Å; Y122-S124 VanDerWaalsContact C-N 3.33Å; Y122-S124 PolarHBondContact O-N 3.27Å; S124-S130 VanDerWaalsContact O-CB 3.28Å; S124-S130 WeakPolarHBondContact O-CB 3.23Å; S124-S130 PolarHBondContact O-OG 2.99Å
125R65.6Low69.1Low35 Ų3549.4 Ų49.413%0.13225%0.253CS..Hα-helixtrans-117.4-13.7-178.3-55.7176.668.5111.23.9114.1Y123 S127 D156 L173 F176Y123-R125 PolarHBondContact O-N 3.37Å; Y123-R125 VanDerWaalsContact O-N 3.12Å; R125-S127 PolarHBondContact O-N 3.15Å; R125-D156 HydrophobicContact CB-CB 4.19Å; R125-D156 IonicContact CZ-OD2 3.29Å; R125-D156 VanDerWaalsContact CZ-OD2 3.29Å; R125-D156 IonicContact NE-OD2 2.73Å; R125-D156 PolarHBondContact NE-OD2 2.91Å; R125-D156 IonicContact NH2-OD1 3.6Å; R125-D156 IonicContact NH2-OD2 2.88Å; R125-D156 PolarHBondContact NH2-OD2 3.01Å; R125-D156 WeakPolarHBondContact O-CB 3.47Å; R125-L173 PolarHBondContact NH1-O 3.47Å; R125-F176 PolarHBondContact NH1-O 2.65Å; R125-F176 PolarHBondContact NH2-O 3.2Å
126A65.5Low70.8Confident1 Ų146.5 Ų46.51%0.00824%0.238CC..Hα-helixtrans-79.3-15.2-166.100000116.1S64 Y70 Y123 A155S64-A126 CarbonylContact C-O 3.58Å; S64-A126 PolarHBondContact OG-O 2.73Å; Y70-A126 HydrophobicContact CD2-CB 4.26Å; Y70-A126 HydrophobicContact CE2-CB 3.54Å; Y123-A126 HydrophobicContact CD1-CB 4.26Å; Y123-A126 PolarHBondContact O-N 3.03Å; A126-A155 WeakPolarHBondContact O-CB 3.22Å
127S78.9Confident72.4Confident13 Ų1340.1 Ų40.19%0.09121%0.211CC..SBendtrans-123.8147.8-167.1154.10000112.8E63 S64 R125 N129 S130E63-S127 PolarHBondContact OE2-OG 3.14Å; S64-S127 WeakPolarHBondContact O-CA 3.3Å; R125-S127 PolarHBondContact O-N 3.15Å; S127-N129 VanDerWaalsContact C-N 3.31Å; S127-N129 PolarHBondContact O-N 2.65Å; S127-N129 PolarHBondContact OG-N 2.96Å; S127-S130 PolarHBondContact O-N 2.94Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 2.96Å
128L83.7Confident74.1Confident0 Ų036.8 Ų36.80%019%0.189CC..G310 helixtrans-67.3-36.1-179.5-67.4168.8000110.8E63 S130 I131 N132 L133 L135 A155 F182E63-L128 PolarHBondContact OE2-N 3.45Å; L128-S130 PolarHBondContact O-N 2.9Å; L128-I131 HydrophobicContact CD2-CD1 4.49Å; L128-I131 CarbonylContact O-C 3.51Å; L128-I131 WeakPolarHBondContact O-CG1 3.3Å; L128-I131 PolarHBondContact O-N 3.28Å; L128-N132 PolarHBondContact O-N 3.45Å; L128-N132 VanDerWaalsContact O-N 3.15Å; L128-L133 CarbonylContact C-O 3.53Å; L128-L133 HydrophobicContact CB-CB 4.37Å; L128-L133 WeakPolarHBondContact CB-O 3.16Å; L128-L133 HydrophobicContact CD2-CB 4.46Å; L128-L133 PolarHBondContact O-N 3.47Å; L128-L135 HydrophobicContact CD1-CB 3.79Å; L128-L135 HydrophobicContact CD1-CD2 4.12Å; L128-A155 HydrophobicContact CD2-CB 3.84Å; L128-A155 HydrophobicContact CG-CB 4.08Å; L128-F182 HydrophobicContact CD1-CE1 4.18Å; L128-F182 HydrophobicContact CD2-CE1 4.04Å; L128-F182 HydrophobicContact CD2-CZ 3.73Å
129N80Confident75.9Confident70 Ų7033.7 Ų33.737%0.37417%0.173SC..G310 helixtrans-56.9-31.8171.3-77-45.7000113.5E63 S127 I131 N132 L134E63-N129 VanDerWaalsContact OE1-CG 3.22Å; E63-N129 PolarHBondContact OE1-ND2 3.14Å; E63-N129 PolarHBondContact OE2-N 3.3Å; S127-N129 VanDerWaalsContact C-N 3.31Å; S127-N129 PolarHBondContact O-N 2.65Å; S127-N129 PolarHBondContact OG-N 2.96Å; N129-I131 VanDerWaalsContact C-N 3.25Å; N129-I131 PolarHBondContact O-N 2.89Å; N129-N132 PolarHBondContact O-N 3.5Å; N129-L134 WeakPolarHBondContact OD1-CD2 3.41Å
130S76.1Confident77.7Confident50 Ų5033.3 Ų33.335%0.3517%0.17SC..G310 helixtrans-69-27-177.382.30000112.8S124 S127 L128S124-S130 VanDerWaalsContact O-CB 3.28Å; S124-S130 WeakPolarHBondContact O-CB 3.23Å; S124-S130 PolarHBondContact O-OG 2.99Å; S127-S130 PolarHBondContact O-N 2.94Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 2.96Å; L128-S130 PolarHBondContact O-N 2.9Å
131I79.3Confident79.3Confident35 Ų3528.6 Ų28.618%0.17915%0.149CC..G310 helixtrans-100.39.6172.656173.8000112.8L128 N129 L133 P178 A180L128-I131 HydrophobicContact CD2-CD1 4.49Å; L128-I131 CarbonylContact O-C 3.51Å; L128-I131 WeakPolarHBondContact O-CG1 3.3Å; L128-I131 PolarHBondContact O-N 3.28Å; N129-I131 VanDerWaalsContact C-N 3.25Å; N129-I131 PolarHBondContact O-N 2.89Å; I131-L133 VanDerWaalsContact C-N 3.3Å; I131-L133 HydrophobicContact CD1-CD1 3.59Å; I131-L133 HydrophobicContact CD1-CG 3.98Å; I131-L133 HydrophobicContact CG1-CB 4.42Å; I131-L133 HydrophobicContact CG1-CD1 4.16Å; I131-L133 HydrophobicContact CG1-CG 3.97Å; I131-L133 PolarHBondContact O-N 3.28Å; I131-P178 HydrophobicContact CG2-CG 3.91Å; I131-A180 HydrophobicContact CD1-CB 3.48Å; I131-A180 VanDerWaalsContact CD1-CB 3.48Å
132N87.3Confident81Confident62 Ų6225.5 Ų25.533%0.33214%0.14SC..THydrogen-bonded Turntrans60.129.5179.5-59.5-82.1000115.5L128 N129 K656 W657L128-N132 PolarHBondContact O-N 3.45Å; L128-N132 VanDerWaalsContact O-N 3.15Å; N129-N132 PolarHBondContact O-N 3.5Å; N132-K656 HydrophobicContact CB-CB 3.83Å; N132-K656 WeakPolarHBondContact CB-O 3.44Å; N132-W657 PolarHBondContact O-N 3.05Å
133L90.1Very high82.7Confident2 Ų231.8 Ų31.81%0.0116%0.164CC..  trans-95.1135.1168.3-56.6-176.3000108.9L128 I131 A180 F182 F263 I652 L654 W657L128-L133 CarbonylContact C-O 3.53Å; L128-L133 HydrophobicContact CB-CB 4.37Å; L128-L133 WeakPolarHBondContact CB-O 3.16Å; L128-L133 HydrophobicContact CD2-CB 4.46Å; L128-L133 PolarHBondContact O-N 3.47Å; I131-L133 VanDerWaalsContact C-N 3.3Å; I131-L133 HydrophobicContact CD1-CD1 3.59Å; I131-L133 HydrophobicContact CD1-CG 3.98Å; I131-L133 HydrophobicContact CG1-CB 4.42Å; I131-L133 HydrophobicContact CG1-CD1 4.16Å; I131-L133 HydrophobicContact CG1-CG 3.97Å; I131-L133 PolarHBondContact O-N 3.28Å; L133-A180 HydrophobicContact CD1-CB 4.06Å; L133-F182 HydrophobicContact CD1-CE2 3.95Å; L133-F182 HydrophobicContact CD1-CZ 3.94Å; L133-F263 HydrophobicContact CD1-CD1 4.3Å; L133-F263 HydrophobicContact CD1-CD2 4.4Å; L133-F263 HydrophobicContact CD1-CG 4.16Å; L133-F263 HydrophobicContact CD2-CD1 4.35Å; L133-F263 HydrophobicContact CD2-CE1 4.28Å; L133-I652 HydrophobicContact CB-CG2 4.16Å; L133-I652 HydrophobicContact CD1-CG2 4.49Å; L133-I652 HydrophobicContact CD2-CG2 4.34Å; L133-L654 HydrophobicContact CD2-CD2 3.4Å; L133-W657 HydrophobicContact CD2-CB 3.99Å; L133-W657 HydrophobicContact CD2-CD2 4.41Å; L133-W657 HydrophobicContact CD2-CG 3.86Å
134L89.6Confident84.1Confident5 Ų536.2 Ų36.23%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-117.1127.5174.7-44.7174.6000109.7N129 I652 W653 K656N129-L134 WeakPolarHBondContact OD1-CD2 3.41Å; L134-I652 CarbonylContact O-C 3.58Å; L134-I652 WeakPolarHBondContact O-CA 3.25Å; L134-W653 HydrophobicContact CB-CB 4.17Å; L134-W653 PolarHBondContact N-O 3.09Å; L134-W653 PolarHBondContact O-N 2.78Å; L134-K656 HydrophobicContact CD1-CD 4.5Å
135L91.4Very high85.4Confident8 Ų845 Ų454%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-103.1123.3-176.1-177.467.6000111.6L58 L128 T137 W151 A153 F182 I652L58-L135 HydrophobicContact CD2-CD2 3.95Å; L128-L135 HydrophobicContact CD1-CB 3.79Å; L128-L135 HydrophobicContact CD1-CD2 4.12Å; L135-T137 VanDerWaalsContact CD1-OG1 3.3Å; L135-T137 WeakPolarHBondContact CD1-OG1 3.18Å; L135-T137 WeakPolarHBondContact CG-OG1 3.41Å; L135-W151 HydrophobicContact CD2-CZ3 4.31Å; L135-A153 HydrophobicContact CD2-CB 3.57Å; L135-F182 HydrophobicContact CD1-CD1 4.07Å; L135-F182 HydrophobicContact CD1-CE1 3.96Å; L135-I652 HydrophobicContact CD1-CD1 4.45Å; L135-I652 HydrophobicContact CD1-CG1 4.07Å
136D91.7Very high86.4Confident7 Ų748.1 Ų48.14%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-112.5137.5159.4-172.646.9000109.1H628 S629 F630 S631 S650 V651D136-H628 WeakPolarHBondContact OD1-CA 3.45Å; D136-S629 VanDerWaalsContact CG-N 3.28Å; D136-S629 PolarHBondContact OD1-N 3.14Å; D136-S629 PolarHBondContact OD2-N 2.86Å; D136-S629 VanDerWaalsContact OD2-N 3.08Å; D136-F630 PolarHBondContact OD2-N 3.1Å; D136-S631 PolarHBondContact OD1-OG 3.44Å; D136-S631 VanDerWaalsContact OD2-CB 3.32Å; D136-S631 WeakPolarHBondContact OD2-CB 3.4Å; D136-S631 PolarHBondContact OD2-N 3.4Å; D136-S631 PolarHBondContact OD2-OG 3.35Å; D136-S650 WeakPolarHBondContact O-CA 3.44Å; D136-V651 HydrophobicContact CB-CB 4.41Å; D136-V651 PolarHBondContact N-O 3.1Å; D136-V651 PolarHBondContact O-N 2.95Å
137T91.9Very high87.6Confident15 Ų1548.6 Ų48.69%0.09222%0.217CC..EExtended strand (participates in β ladder)trans-151.9129.8-177.2-58.20000110.9L135 W151 S631 C649 S650L135-T137 VanDerWaalsContact CD1-OG1 3.3Å; L135-T137 WeakPolarHBondContact CD1-OG1 3.18Å; L135-T137 WeakPolarHBondContact CG-OG1 3.41Å; T137-W151 HydrophobicContact CG2-CD2 3.91Å; T137-W151 HydrophobicContact CG2-CE3 4.36Å; T137-W151 HydrophobicContact CG2-CG 4.37Å; T137-W151 HydrophobicContact CG2-CH2 4.3Å; T137-W151 HydrophobicContact CG2-CZ2 3.81Å; T137-S631 WeakPolarHBondContact CA-OG 3.5Å; T137-S631 PolarHBondContact N-OG 3.05Å; T137-C649 WeakPolarHBondContact CA-O 3.45Å; T137-S650 WeakPolarHBondContact CG2-OG 3.23Å; T137-S650 PolarHBondContact OG1-OG 3.36Å
138H92.8Very high88.2Confident23 Ų2349.6 Ų49.611%0.10622%0.22CC..EExtended strand (participates in β ladder)trans-129.4142.3177.3-156.890.9000109.9S631 E632 V635 T648 C649H138-S631 WeakPolarHBondContact CB-OG 3.22Å; H138-S631 PolarHBondContact N-OG 2.94Å; H138-E632 HydrophobicContact CB-CB 4.35Å; H138-E632 IonicContact CE1-OE1 3.18Å; H138-E632 PolarHBondContact CE1-OE1 3.23Å; H138-E632 WeakPolarHBondContact ND1-CB 3.46Å; H138-V635 HydrophobicContact CB-CG2 4.28Å; H138-T648 WeakPolarHBondContact O-CA 3.11Å; H138-C649 PolarHBondContact N-O 2.89Å; H138-C649 PolarHBondContact O-N 3.26Å
139S92.9Very high88.7Confident2 Ų249.6 Ų49.61%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-143.7141.3-179.7-177.20000108.5Q147 S364 I647 T648S139-Q147 PolarHBondContact OG-NE2 3.03Å; S139-S364 CarbonylContact C-O 3.5Å; S139-S364 VanDerWaalsContact C-O 3.29Å; S139-S364 WeakPolarHBondContact CB-O 3.41Å; S139-S364 CarbonylContact O-C 3.5Å; S139-I647 CarbonylContact C-O 3.47Å; S139-I647 WeakPolarHBondContact CA-O 3.35Å; S139-T648 WeakPolarHBondContact CB-OG1 3.32Å; S139-T648 PolarHBondContact OG-OG1 3.01Å
140I92.9Very high89.4Confident10 Ų1046.6 Ų46.65%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-145.1149.1178.459.3167.1000112.1N142 Q147 V635 V639 I647I140-N142 VanDerWaalsContact C-N 3.27Å; I140-N142 HydrophobicContact CD1-CB 3.72Å; I140-N142 HydrophobicContact CG1-CB 4.08Å; I140-Q147 PolarHBondContact O-NE2 3.07Å; I140-V635 HydrophobicContact CD1-CG1 3.34Å; I140-V635 HydrophobicContact CG1-CG1 3.61Å; I140-V635 HydrophobicContact CG2-CG1 4.28Å; I140-V639 HydrophobicContact CD1-CG2 3.56Å; I140-I647 HydrophobicContact CD1-CD1 4.27Å; I140-I647 HydrophobicContact CD1-CG1 4.5Å; I140-I647 HydrophobicContact CG1-CB 4.08Å; I140-I647 HydrophobicContact CG1-CG1 4.33Å; I140-I647 PolarHBondContact N-O 3.23Å; I140-I647 PolarHBondContact O-N 3.3Å
141V89.7Confident90.4Very high25 Ų2544.9 Ų44.915%0.15219%0.189CC..  trans-66.3-32.9166.9176.40000111.4R143 R144 Q147 N646V141-R143 PolarHBondContact O-N 2.93Å; V141-R144 HydrophobicContact CG1-CB 4.47Å; V141-R144 WeakPolarHBondContact CG1-O 3.38Å; V141-R144 PolarHBondContact O-N 3.33Å; V141-Q147 HydrophobicContact CG2-CB 3.77Å; V141-N646 WeakPolarHBondContact CA-ND2 3.37Å; V141-N646 PolarHBondContact O-ND2 3.17Å
142N89.8Confident91.1Very high42 Ų4243.4 Ų43.423%0.22518%0.182CC..THydrogen-bonded Turntrans52.8-123.8-171.8-168.813000112.1I140 A643 D645I140-N142 VanDerWaalsContact C-N 3.27Å; I140-N142 HydrophobicContact CD1-CB 3.72Å; I140-N142 HydrophobicContact CG1-CB 4.08Å; N142-A643 VanDerWaalsContact ND2-C 3.26Å; N142-A643 PolarHBondContact ND2-O 2.92Å; N142-D645 WeakPolarHBondContact CB-O 3.41Å; N142-D645 PolarHBondContact ND2-O 3.25Å
143R89.9Confident91.4Very high171 Ų17140.5 Ų40.565%0.64517%0.166SC*.THydrogen-bonded Turntrans-92.8-7.3-177.9-54.9-175.8-173.8-178.91.9113.6V141V141-R143 PolarHBondContact O-N 2.93Å
144R87.4Confident91.5Very high116 Ų11640.4 Ų40.444%0.43817%0.166SC..SBendtrans-66.5166.2174.3-67.3-66.5-158156.68.8111.1V141 D645 N646V141-R144 HydrophobicContact CG1-CB 4.47Å; V141-R144 WeakPolarHBondContact CG1-O 3.38Å; V141-R144 PolarHBondContact O-N 3.33Å; R144-D645 IonicContact CZ-OD1 3.29Å; R144-D645 VanDerWaalsContact CZ-OD1 3.3Å; R144-D645 IonicContact CZ-OD2 3.88Å; R144-D645 VanDerWaalsContact NE-CG 3.32Å; R144-D645 IonicContact NE-OD1 3.7Å; R144-D645 PolarHBondContact NE-OD1 2.81Å; R144-D645 IonicContact NE-OD2 3.18Å; R144-D645 PolarHBondContact NE-OD2 3.09Å; R144-D645 VanDerWaalsContact NH2-CG 3.27Å; R144-D645 IonicContact NH2-OD1 3.36Å; R144-D645 PolarHBondContact NH2-OD1 2.7Å; R144-D645 VanDerWaalsContact NH2-OD1 3.09Å; R144-D645 IonicContact NH2-OD2 3.67Å; R144-D645 PolarHBondContact NH2-OD2 3.25Å; R144-N646 WeakPolarHBondContact CB-ND2 3.37Å
145R86.8Confident91.5Very high252 Ų25240.2 Ų40.295%0.95116%0.164SC*.SBendtrans-82.7-16.6179.4-64.9-179.8-178.9164.71.9113.9
146R87.6Confident91.4Very high102 Ų10239.8 Ų39.839%0.38516%0.162SC..SBendtrans-148157.2-171.3-55177.281.9-169.35.4108.2E148 E192 N646R146-E148 HydrophobicContact CB-CG 4.19Å; R146-E148 IonicContact NH1-OE1 2.67Å; R146-E192 IonicContact NH1-OE1 3.03Å; R146-E192 IonicContact NH2-OE1 3.16Å; R146-N646 PolarHBondContact O-ND2 3Å; R146-N646 PolarHBondContact O-OD1 3.03Å
147Q90.5Very high91.4Very high10 Ų1039.5 Ų39.55%0.04716%0.161CC..  trans-87.7110.8163.2-179.956.4-60.800107.9S139 I140 V141 R150 N646S139-Q147 PolarHBondContact OG-NE2 3.03Å; I140-Q147 PolarHBondContact O-NE2 3.07Å; V141-Q147 HydrophobicContact CG2-CB 3.77Å; Q147-R150 PolarHBondContact O-NH1 2.88Å; Q147-N646 VanDerWaalsContact OE1-CB 3.27Å; Q147-N646 PolarHBondContact OE1-ND2 3.15Å; Q147-N646 PolarHBondContact OE1-OD1 3.36Å
148E91.5Very high91.1Very high34 Ų3438.9 Ų38.916%0.15916%0.157CC..  trans-93-32.8177.3-49-147.8154.200110.8R146 R150 G187 N189 G190 A194 N646R146-E148 HydrophobicContact CB-CG 4.19Å; R146-E148 IonicContact NH1-OE1 2.67Å; E148-R150 PolarHBondContact O-NH1 3.24Å; E148-G187 WeakPolarHBondContact CB-O 3.5Å; E148-N189 PolarHBondContact OE2-N 3.37Å; E148-G190 WeakPolarHBondContact OE1-CA 3.37Å; E148-G190 WeakPolarHBondContact OE2-CA 3.39Å; E148-G190 PolarHBondContact OE2-N 2.82Å; E148-A194 VanDerWaalsContact O-CB 3.32Å; E148-A194 WeakPolarHBondContact O-CB 3.36Å; E148-N646 WeakPolarHBondContact CB-OD1 3.31Å; E148-N646 PolarHBondContact N-OD1 3.23Å
149D94Very high90.5Very high0 Ų038.1 Ų38.10%015%0.154CC..  trans-58.3146.5174.6-62.89.7000115.1F185 S592 N646 I647 T648D149-F185 CarbonylContact C-O 3.5Å; D149-F185 VanDerWaalsContact CA-O 3.31Å; D149-F185 WeakPolarHBondContact CA-O 3.39Å; D149-S592 PolarHBondContact OD2-OG 2.89Å; D149-N646 WeakPolarHBondContact OD1-CB 3.48Å; D149-I647 PolarHBondContact OD2-N 3.13Å; D149-T648 WeakPolarHBondContact CB-OG1 3.47Å; D149-T648 WeakPolarHBondContact OD2-CB 3.45Å; D149-T648 PolarHBondContact OD2-N 2.93Å; D149-T648 PolarHBondContact OD2-OG1 2.89Å
150R94.9Very high90.3Very high8 Ų838.2 Ų38.23%0.0315%0.154CC..EExtended strand (participates in β ladder)trans-143.7162.2170-61.6-70.2-173.5-76.8-0.9111.4Q147 E148 F185 P191 A194 E195Q147-R150 PolarHBondContact O-NH1 2.88Å; E148-R150 PolarHBondContact O-NH1 3.24Å; R150-F185 HydrophobicContact CB-CB 4.44Å; R150-F185 PolarHBondContact N-O 3.33Å; R150-F185 PolarHBondContact O-N 3.06Å; R150-P191 VanDerWaalsContact NH2-CB 3.28Å; R150-A194 HydrophobicContact CB-CB 4.18Å; R150-A194 HydrophobicContact CG-CB 3.89Å; R150-E195 HydrophobicContact CG-CB 4.21Å; R150-E195 IonicContact CZ-OE2 3.44Å; R150-E195 IonicContact NE-OE2 3.93Å; R150-E195 PolarHBondContact NE-OE2 3.35Å; R150-E195 IonicContact NH2-OE2 3.06Å; R150-E195 PolarHBondContact NH2-OE2 2.83Å
151W95.5Very high90Very high13 Ų1338 Ų385%0.04915%0.154CC..EExtended strand (participates in β ladder)trans-149.8165.3176.762.3-92.3000112.3K55 L58 L135 T137 A153 G183 I184 S366 T648K55-W151 WeakPolarHBondContact CE-O 3.37Å; L58-W151 HydrophobicContact CB-CH2 4.45Å; L58-W151 HydrophobicContact CD1-CH2 4.19Å; L58-W151 HydrophobicContact CD1-CZ3 3.96Å; L135-W151 HydrophobicContact CD2-CZ3 4.31Å; T137-W151 HydrophobicContact CG2-CD2 3.91Å; T137-W151 HydrophobicContact CG2-CE3 4.36Å; T137-W151 HydrophobicContact CG2-CG 4.37Å; T137-W151 HydrophobicContact CG2-CH2 4.3Å; T137-W151 HydrophobicContact CG2-CZ2 3.81Å; W151-A153 HydrophobicContact CE3-CB 4.48Å; W151-A153 HydrophobicContact CZ3-CB 4.08Å; W151-G183 CarbonylContact C-O 3.6Å; W151-G183 WeakPolarHBondContact CA-O 3.44Å; W151-G183 VanDerWaalsContact CB-O 3.23Å; W151-G183 WeakPolarHBondContact CB-O 3.43Å; W151-I184 HydrophobicContact CB-CG1 4.25Å; W151-S366 PolarHBondContact NE1-OG 3.22Å; W151-T648 HydrophobicContact CB-CG2 4.21Å; W151-T648 HydrophobicContact CG-CG2 4.15Å
152F95.1Very high89.5Confident5 Ų537.2 Ų37.22%0.02215%0.149CC..EExtended strand (participates in β ladder)trans-139.3158.4164.376.1-94.3000111.3V154 A181 F182 G183 F185 T201 P202 L205 V260F152-V154 HydrophobicContact CD2-CG2 4.23Å; F152-A181 HydrophobicContact CE2-CB 3.91Å; F152-A181 WeakPolarHBondContact CE2-O 3.49Å; F152-A181 HydrophobicContact CZ-CB 4.35Å; F152-F182 WeakPolarHBondContact O-CA 3.43Å; F152-G183 PolarHBondContact N-O 3.21Å; F152-G183 PolarHBondContact O-N 2.98Å; F152-F185 AromaticContact CD1-CE2 3.66Å; F152-F185 HydrophobicContact CD1-CE2 3.66Å; F152-F185 HydrophobicContact CD1-CZ 4.21Å; F152-F185 AromaticContact CE1-CE2 3.74Å; F152-F185 HydrophobicContact CE1-CE2 3.74Å; F152-F185 AromaticContact CE1-CZ 3.89Å; F152-F185 HydrophobicContact CE1-CZ 3.89Å; F152-T201 HydrophobicContact CD1-CG2 4.46Å; F152-T201 HydrophobicContact CE1-CG2 3.44Å; F152-T201 VanDerWaalsContact CE1-CG2 3.44Å; F152-T201 HydrophobicContact CZ-CG2 3.67Å; F152-P202 HydrophobicContact CD2-CB 4.16Å; F152-P202 HydrophobicContact CD2-CG 4.32Å; F152-P202 HydrophobicContact CE2-CB 4.33Å; F152-P202 HydrophobicContact CG-CG 4.28Å; F152-L205 HydrophobicContact CZ-CD1 4.34Å; F152-V260 HydrophobicContact CE1-CG2 4.49Å; F152-V260 HydrophobicContact CZ-CG1 4.19Å
153A93.9Very high88.5Confident1 Ų135.7 Ų35.71%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-141.6132.916700000109.2Q54 L58 L135 W151 A181 F182Q54-A153 PolarHBondContact NE2-O 3.15Å; L58-A153 HydrophobicContact CD1-CB 4.23Å; L58-A153 HydrophobicContact CD2-CB 4.47Å; L135-A153 HydrophobicContact CD2-CB 3.57Å; W151-A153 HydrophobicContact CE3-CB 4.48Å; W151-A153 HydrophobicContact CZ3-CB 4.08Å; A153-A181 WeakPolarHBondContact CA-O 3.4Å; A153-F182 HydrophobicContact CB-CD1 3.66Å; A153-F182 HydrophobicContact CB-CE1 3.99Å
154V92.7Very high87Confident0 Ų036.9 Ų36.90%015%0.148CC..EExtended strand (participates in β ladder)trans-138.6132178.6175.50000109.1Q54 F152 L157 Y160 A180 A181 P202Q54-V154 HydrophobicContact CG-CG2 4.22Å; F152-V154 HydrophobicContact CD2-CG2 4.23Å; V154-L157 HydrophobicContact CB-CD2 4.23Å; V154-L157 HydrophobicContact CG1-CD2 4.02Å; V154-L157 HydrophobicContact CG1-CG 4.29Å; V154-Y160 HydrophobicContact CG1-CD2 3.82Å; V154-Y160 HydrophobicContact CG1-CG 4.22Å; V154-Y160 HydrophobicContact CG2-CD2 3.96Å; V154-Y160 HydrophobicContact CG2-CE2 3.93Å; V154-A180 CarbonylContact O-C 3.59Å; V154-A180 VanDerWaalsContact O-CA 3.23Å; V154-A180 WeakPolarHBondContact O-CA 3.39Å; V154-A181 PolarHBondContact N-O 3.42Å; V154-A181 PolarHBondContact O-N 3.39Å; V154-P202 HydrophobicContact CG2-CB 3.77Å
155A88.7Confident85.5Confident0 Ų038.4 Ų38.40%016%0.157CC..SBendtrans-79.4-37.7-177.200000115S64 A126 L128 A180S64-A155 WeakPolarHBondContact OG-CB 3.35Å; S64-A155 PolarHBondContact OG-N 2.98Å; A126-A155 WeakPolarHBondContact O-CB 3.22Å; L128-A155 HydrophobicContact CD2-CB 3.84Å; L128-A155 HydrophobicContact CG-CB 4.08Å; A155-A180 VanDerWaalsContact O-CA 3.3Å; A155-A180 WeakPolarHBondContact O-CA 3.05Å; A155-A180 VanDerWaalsContact O-CB 3.3Å; A155-A180 WeakPolarHBondContact O-CB 3.23Å; A155-A180 PolarHBondContact O-N 2.94Å
156D88.5Confident83.7Confident0 Ų028.9 Ų28.90%013%0.129CC..  trans-144.3105.4171-174.917.9000111.6R125 L158 S159 Y160 P178 I179R125-D156 HydrophobicContact CB-CB 4.19Å; R125-D156 IonicContact CZ-OD2 3.29Å; R125-D156 VanDerWaalsContact CZ-OD2 3.29Å; R125-D156 IonicContact NE-OD2 2.73Å; R125-D156 PolarHBondContact NE-OD2 2.91Å; R125-D156 IonicContact NH2-OD1 3.6Å; R125-D156 IonicContact NH2-OD2 2.88Å; R125-D156 PolarHBondContact NH2-OD2 3.01Å; R125-D156 WeakPolarHBondContact O-CB 3.47Å; D156-L158 PolarHBondContact O-N 2.99Å; D156-L158 WeakPolarHBondContact OD1-CB 3.34Å; D156-L158 WeakPolarHBondContact OD1-CG 3.41Å; D156-L158 PolarHBondContact OD1-N 3.47Å; D156-S159 PolarHBondContact O-N 3.29Å; D156-S159 VanDerWaalsContact O-N 3.16Å; D156-S159 PolarHBondContact O-OG 2.85Å; D156-Y160 PolarHBondContact O-N 3.26Å; D156-P178 HydrophobicContact CB-CB 4.05Å; D156-P178 WeakPolarHBondContact OD1-CA 3.27Å; D156-I179 WeakPolarHBondContact CA-O 3.38Å; D156-I179 PolarHBondContact OD1-N 3.31Å; D156-I179 VanDerWaalsContact OD1-N 3.1Å
157L91.4Very high82.1Confident1 Ų127.2 Ų27.21%0.00513%0.126CC..Hα-helixtrans-60.9-24.2175.8-71.2165.6000113V154 S159 Y160 I179 A181 P202 L205 S206 L209V154-L157 HydrophobicContact CB-CD2 4.23Å; V154-L157 HydrophobicContact CG1-CD2 4.02Å; V154-L157 HydrophobicContact CG1-CG 4.29Å; L157-S159 PolarHBondContact O-N 3.31Å; L157-Y160 PolarHBondContact O-N 3.22Å; L157-I179 WeakPolarHBondContact CB-O 3.38Å; L157-I179 HydrophobicContact CD1-CG2 3.95Å; L157-I179 WeakPolarHBondContact CG-O 3.31Å; L157-I179 PolarHBondContact N-O 3.42Å; L157-A181 HydrophobicContact CD1-CB 3.54Å; L157-A181 HydrophobicContact CG-CB 4.28Å; L157-P202 HydrophobicContact CD2-CB 4.09Å; L157-P202 WeakPolarHBondContact CD2-O 3.22Å; L157-L205 HydrophobicContact CD1-CB 3.8Å; L157-L205 HydrophobicContact CD1-CD1 3.9Å; L157-L205 HydrophobicContact CD1-CG 4.36Å; L157-L205 HydrophobicContact CD2-CB 3.89Å; L157-L205 HydrophobicContact CD2-CD1 4.39Å; L157-L205 HydrophobicContact CG-CB 4.39Å; L157-S206 WeakPolarHBondContact O-CA 3.38Å; L157-S206 WeakPolarHBondContact O-CB 3.31Å; L157-S206 PolarHBondContact O-OG 2.91Å; L157-L209 HydrophobicContact CB-CD1 3.67Å; L157-L209 HydrophobicContact CD1-CD1 4.1Å
158L86.3Confident80.3Confident2 Ų234.6 Ų34.61%0.0116%0.164CC..Hα-helixtrans-69.8-23.8178.7-57.6177.3000112.7D156 L173 F176 L209 Q210 I213 W665D156-L158 PolarHBondContact O-N 2.99Å; D156-L158 WeakPolarHBondContact OD1-CB 3.34Å; D156-L158 WeakPolarHBondContact OD1-CG 3.41Å; D156-L158 PolarHBondContact OD1-N 3.47Å; L158-L173 HydrophobicContact CB-CD2 4.11Å; L158-F176 HydrophobicContact CD1-CB 4.01Å; L158-L209 HydrophobicContact CD2-CB 3.56Å; L158-L209 HydrophobicContact CD2-CD1 3.99Å; L158-L209 HydrophobicContact CD2-CG 4.27Å; L158-Q210 PolarHBondContact O-NE2 3.4Å; L158-I213 HydrophobicContact CD2-CD1 4Å; L158-W665 HydrophobicContact CD1-CZ2 3.68Å; L158-W665 HydrophobicContact CD2-CH2 3.81Å; L158-W665 HydrophobicContact CD2-CZ2 3.51Å; L158-W665 HydrophobicContact CG-CZ2 4.19Å
159S80.5Confident78.7Confident7 Ų736.8 Ų36.85%0.04918%0.177CC..Hα-helixtrans-104.1-10.1178.171.90000114.7S69 Y70 D156 L157 V161S69-S159 WeakPolarHBondContact CB-O 3.37Å; Y70-S159 WeakPolarHBondContact OH-CB 3.48Å; Y70-S159 PolarHBondContact OH-OG 2.59Å; D156-S159 PolarHBondContact O-N 3.29Å; D156-S159 VanDerWaalsContact O-N 3.16Å; D156-S159 PolarHBondContact O-OG 2.85Å; L157-S159 PolarHBondContact O-N 3.31Å; S159-V161 PolarHBondContact O-N 2.94Å
160Y88.3Confident77.3Confident3 Ų338.2 Ų38.21%0.01218%0.183CC..Hα-helixtrans-61-31.1-176.8-175.6-104.5000113.1L50 S51 Q54 S69 V154 D156 L157 P202L50-Y160 HydrophobicContact CB-CE1 4.11Å; L50-Y160 HydrophobicContact CB-CE2 4.37Å; L50-Y160 WeakPolarHBondContact CB-OH 3.49Å; L50-Y160 HydrophobicContact CD1-CE1 4.41Å; S51-Y160 WeakPolarHBondContact CA-OH 3.26Å; S51-Y160 WeakPolarHBondContact CB-OH 3.45Å; S51-Y160 PolarHBondContact N-OH 2.98Å; Q54-Y160 HydrophobicContact CB-CE2 4.3Å; Q54-Y160 HydrophobicContact CG-CE2 4.38Å; S69-Y160 PolarHBondContact OG-O 2.78Å; V154-Y160 HydrophobicContact CG1-CD2 3.82Å; V154-Y160 HydrophobicContact CG1-CG 4.22Å; V154-Y160 HydrophobicContact CG2-CD2 3.96Å; V154-Y160 HydrophobicContact CG2-CE2 3.93Å; D156-Y160 PolarHBondContact O-N 3.26Å; L157-Y160 PolarHBondContact O-N 3.22Å; Y160-P202 HydrophobicContact CD1-CB 4.22Å; Y160-P202 WeakPolarHBondContact CD1-O 3.33Å; Y160-P202 HydrophobicContact CE1-CB 3.79Å; Y160-P202 HydrophobicContact CE1-CG 4.12Å; Y160-P202 HydrophobicContact CE2-CB 4.48Å
161V87.2Confident76Confident7 Ų740.6 Ų40.64%0.04220%0.201CC..SBendtrans-122.5140.5167.1174.60000107.4L50 W75 S159 Y203 S206 I207 Q210L50-V161 HydrophobicContact CD1-CG2 3.96Å; W75-V161 HydrophobicContact CH2-CG1 3.89Å; W75-V161 HydrophobicContact CZ2-CG1 4.29Å; S159-V161 PolarHBondContact O-N 2.94Å; V161-Y203 HydrophobicContact CG2-CD2 3.59Å; V161-Y203 HydrophobicContact CG2-CE2 3.79Å; V161-S206 WeakPolarHBondContact CB-OG 3.33Å; V161-S206 PolarHBondContact N-OG 3.4Å; V161-I207 HydrophobicContact CG1-CG2 4.44Å; V161-I207 HydrophobicContact CG2-CG2 4.45Å; V161-Q210 PolarHBondContact O-NE2 3.32Å
162P77.9Confident74.8Confident8 Ų842.8 Ų42.85%0.05221%0.21CC..  trans-76.7140.7172-22.638.4000112.7S69 W75S69-P162 WeakPolarHBondContact O-CG 3.27Å; W75-P162 HydrophobicContact CD2-CG 3.61Å; W75-P162 VanDerWaalsContact CE3-CD 3.44Å; W75-P162 HydrophobicContact CE3-CG 3.73Å; W75-P162 HydrophobicContact CG-CG 4.04Å; W75-P162 HydrophobicContact CH2-CG 4.32Å; W75-P162 VanDerWaalsContact CZ2-CD 3.46Å; W75-P162 HydrophobicContact CZ2-CG 4.25Å; W75-P162 HydrophobicContact CZ3-CG 4.04Å
163S70.5Confident73.9Confident10 Ų1042.8 Ų42.87%0.0721%0.21CC..  trans-68.7135.6172.5176.70000111.7K165 Y172S163-K165 PolarHBondContact O-N 3.32Å; S163-K165 VanDerWaalsContact O-N 3.17Å; S163-Y172 WeakPolarHBondContact CB-OH 3.25Å
164Y58Low73Confident196 Ų19647.5 Ų47.577%0.76924%0.239SC*.THydrogen-bonded Turntrans-63.3-16.8178.4-78.5-84.9000114.9
165K55.1Low72.4Confident147 Ų14752.5 Ų52.564%0.63927%0.266SS*.THydrogen-bonded Turntrans-78-29.1-166.8-82.2-162.2-179.4171.60115.6S163 L214S163-K165 PolarHBondContact O-N 3.32Å; S163-K165 VanDerWaalsContact O-N 3.17Å; K165-L214 HydrophobicContact CD-CD2 3.61Å; K165-L214 HydrophobicContact CG-CD2 4.09Å
166S50.1Low72.3Confident53 Ų5353.9 Ų53.937%0.37127%0.272SS..  trans-170.8138.8162.172.20000109.7I168 D169S166-I168 PolarHBondContact O-N 3.46Å; S166-D169 PolarHBondContact OG-N 3.17Å
167H53.6Low72.3Confident67 Ų6754.1 Ų54.131%0.3127%0.274SS..SBendtrans-74.6-3.4171.6-77.8-70.5000113.3W75W75-H167 AromaticContact CD1-CE1 3.4Å; W75-H167 AromaticContact CD1-NE2 3.79Å; W75-H167 AromaticContact NE1-CE1 3.92Å
168I51.9Low72.1Confident164 Ų16455.8 Ų55.884%0.84129%0.285SS*.SBendtrans-109.8-28.1-163.7-57.7174.2000111.8S166S166-I168 PolarHBondContact O-N 3.46Å
169D58.9Low72.4Confident81 Ų8155.9 Ų55.943%0.43329%0.285SS..  trans-124.1105.1179-169.10.9000111.9S166 S171 Y172S166-D169 PolarHBondContact OG-N 3.17Å; D169-S171 WeakPolarHBondContact OD1-CB 3.21Å; D169-S171 PolarHBondContact OD1-N 3.46Å; D169-S171 PolarHBondContact OD1-OG 3.42Å; D169-S171 PolarHBondContact OD2-OG 3.02Å; D169-Y172 WeakPolarHBondContact O-CE1 3.43Å
170Q64.1Low73.1Confident30 Ų3055.6 Ų55.614%0.1428%0.283CS..  trans-107.715.9169.9-56.1-179.34.100112Y121 Y172 L173Y121-Q170 HydrophobicContact CE1-CB 4.11Å; Y121-Q170 VanDerWaalsContact OH-C 3.27Å; Y121-Q170 WeakPolarHBondContact OH-CB 3.31Å; Y121-Q170 PolarHBondContact OH-N 2.98Å; Q170-Y172 PolarHBondContact O-N 3.04Å; Q170-L173 HydrophobicContact CB-CD1 3.95Å; Q170-L173 HydrophobicContact CB-CG 4.23Å; Q170-L173 HydrophobicContact CG-CD1 4.46Å; Q170-L173 VanDerWaalsContact O-CB 3.3Å; Q170-L173 WeakPolarHBondContact O-CB 3.44Å; Q170-L173 PolarHBondContact O-N 2.95Å
171S67.3Low73.5Confident58 Ų5855.4 Ų55.441%0.40628%0.282SS..G310 helixtrans-53.7-38.5-179.159.50000112.6Y121 D169 L173 T174Y121-S171 PolarHBondContact OH-N 3.13Å; D169-S171 WeakPolarHBondContact OD1-CB 3.21Å; D169-S171 PolarHBondContact OD1-N 3.46Å; D169-S171 PolarHBondContact OD1-OG 3.42Å; D169-S171 PolarHBondContact OD2-OG 3.02Å; S171-L173 PolarHBondContact O-N 3.46Å; S171-L173 VanDerWaalsContact O-N 3.08Å; S171-T174 WeakPolarHBondContact O-CB 3.45Å; S171-T174 WeakPolarHBondContact O-CG2 3.46Å; S171-T174 PolarHBondContact O-N 2.97Å; S171-T174 PolarHBondContact O-OG1 2.96Å
172Y71.6Confident73.9Confident59 Ų5955.2 Ų55.223%0.23128%0.281CS..G310 helixtrans-56.2-23.7175.473.7-88.4000113.9S163 D169 Q170 T174 D175 F176 I213S163-Y172 WeakPolarHBondContact CB-OH 3.25Å; D169-Y172 WeakPolarHBondContact O-CE1 3.43Å; Q170-Y172 PolarHBondContact O-N 3.04Å; Y172-T174 PolarHBondContact O-N 3.3Å; Y172-D175 PolarHBondContact O-N 3.44Å; Y172-F176 VanDerWaalsContact O-CD2 3.29Å; Y172-F176 WeakPolarHBondContact O-CD2 3.25Å; Y172-I213 HydrophobicContact CD2-CG2 3.88Å; Y172-I213 HydrophobicContact CE2-CG2 4.03Å
173L74.5Confident74.9Confident5 Ų554.9 Ų54.93%0.02628%0.279CS..G310 helixtrans-65.7-23.2174.8-66.1-176.1000112.1R125 L158 Q170 S171 D175 F176R125-L173 PolarHBondContact NH1-O 3.47Å; L158-L173 HydrophobicContact CB-CD2 4.11Å; Q170-L173 HydrophobicContact CB-CD1 3.95Å; Q170-L173 HydrophobicContact CB-CG 4.23Å; Q170-L173 HydrophobicContact CG-CD1 4.46Å; Q170-L173 VanDerWaalsContact O-CB 3.3Å; Q170-L173 WeakPolarHBondContact O-CB 3.44Å; Q170-L173 PolarHBondContact O-N 2.95Å; S171-L173 PolarHBondContact O-N 3.46Å; S171-L173 VanDerWaalsContact O-N 3.08Å; L173-D175 PolarHBondContact O-N 2.91Å; L173-F176 PolarHBondContact O-N 2.82Å; L173-F176 VanDerWaalsContact O-N 3.16Å
174T75.7Confident76.1Confident100 Ų10054.5 Ų54.561%0.61328%0.276SS*.G310 helixtrans-71.1-18.7179.866.60000113.4S171 Y172 F176S171-T174 WeakPolarHBondContact O-CB 3.45Å; S171-T174 WeakPolarHBondContact O-CG2 3.46Å; S171-T174 PolarHBondContact O-N 2.97Å; S171-T174 PolarHBondContact O-OG1 2.96Å; Y172-T174 PolarHBondContact O-N 3.3Å; T174-F176 VanDerWaalsContact C-N 3.27Å
175D81.1Confident77.9Confident105 Ų10545.1 Ų45.156%0.56124%0.239SC*.G310 helixtrans-75.2-15.1172.1-60.5-43.2000113Y172 L173 K663 G664Y172-D175 PolarHBondContact O-N 3.44Å; L173-D175 PolarHBondContact O-N 2.91Å; D175-K663 CarbonylContact O-C 3.58Å; D175-K663 WeakPolarHBondContact O-CB 3.37Å; D175-G664 PolarHBondContact O-N 2.66Å
176F86.2Confident79.6Confident28 Ų2838.6 Ų38.612%0.12321%0.211CC..SBendtrans-117.1130.5-176.1-63.3-94.3000111.3R125 L158 Y172 L173 T174 I213 K663 G664 W665R125-F176 PolarHBondContact NH1-O 2.65Å; R125-F176 PolarHBondContact NH2-O 3.2Å; L158-F176 HydrophobicContact CD1-CB 4.01Å; Y172-F176 VanDerWaalsContact O-CD2 3.29Å; Y172-F176 WeakPolarHBondContact O-CD2 3.25Å; L173-F176 PolarHBondContact O-N 2.82Å; L173-F176 VanDerWaalsContact O-N 3.16Å; T174-F176 VanDerWaalsContact C-N 3.27Å; F176-I213 HydrophobicContact CD1-CD1 4.2Å; F176-I213 HydrophobicContact CD1-CG1 4.03Å; F176-I213 HydrophobicContact CD2-CD1 4.13Å; F176-I213 HydrophobicContact CD2-CG1 4.35Å; F176-I213 HydrophobicContact CE1-CD1 4.38Å; F176-I213 HydrophobicContact CE1-CG1 3.74Å; F176-I213 HydrophobicContact CE2-CD1 4.32Å; F176-I213 HydrophobicContact CE2-CG1 4.1Å; F176-I213 HydrophobicContact CE2-CG2 3.88Å; F176-I213 HydrophobicContact CG-CD1 4.09Å; F176-I213 HydrophobicContact CG-CG1 4.34Å; F176-I213 HydrophobicContact CZ-CB 4.31Å; F176-I213 HydrophobicContact CZ-CD1 4.45Å; F176-I213 HydrophobicContact CZ-CG1 3.79Å; F176-I213 HydrophobicContact CZ-CG2 3.97Å; F176-K663 WeakPolarHBondContact CA-O 3.33Å; F176-G664 VanDerWaalsContact CE1-O 3.3Å; F176-G664 WeakPolarHBondContact CE1-O 3.1Å; F176-W665 HydrophobicContact CB-CZ2 4.01Å; F176-W665 HydrophobicContact CD1-CD2 4.2Å; F176-W665 AromaticContact CD1-CE2 3.66Å; F176-W665 HydrophobicContact CD1-CH2 4.08Å; F176-W665 AromaticContact CD1-CZ2 3.55Å; F176-W665 HydrophobicContact CD1-CZ2 3.55Å; F176-W665 HydrophobicContact CE1-CZ2 4.43Å; F176-W665 HydrophobicContact CG-CZ2 4.06Å
177S87.2Confident81.6Confident6 Ų636.3 Ų36.34%0.04220%0.196CC..  trans-57.3138.1169.6-63.80000109.5K663 W665S177-K663 PolarHBondContact N-O 3.29Å; S177-K663 PolarHBondContact OG-N 2.59Å; S177-W665 PolarHBondContact O-NE1 2.88Å
178P88.4Confident83.1Confident36 Ų3633.8 Ų33.823%0.23418%0.184CC..  trans-61.1149171.128.5-34.7000109.8I131 D156I131-P178 HydrophobicContact CG2-CG 3.91Å; D156-P178 HydrophobicContact CB-CB 4.05Å; D156-P178 WeakPolarHBondContact OD1-CA 3.27Å
179I92.3Very high84.8Confident3 Ų330.6 Ų30.62%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-118.9105.4178.4-57.8178.2000109D156 L157 L209 I228 A262 F263 A264 W665D156-I179 WeakPolarHBondContact CA-O 3.38Å; D156-I179 PolarHBondContact OD1-N 3.31Å; D156-I179 VanDerWaalsContact OD1-N 3.1Å; L157-I179 WeakPolarHBondContact CB-O 3.38Å; L157-I179 HydrophobicContact CD1-CG2 3.95Å; L157-I179 WeakPolarHBondContact CG-O 3.31Å; L157-I179 PolarHBondContact N-O 3.42Å; I179-L209 HydrophobicContact CB-CD1 4.37Å; I179-L209 HydrophobicContact CD1-CD1 3.92Å; I179-L209 HydrophobicContact CD1-CD2 3.51Å; I179-L209 HydrophobicContact CD1-CG 4.37Å; I179-I228 HydrophobicContact CD1-CD1 4.03Å; I179-I228 HydrophobicContact CD1-CG1 4.36Å; I179-A262 HydrophobicContact CG2-CB 4.25Å; I179-F263 VanDerWaalsContact CA-O 3.32Å; I179-F263 WeakPolarHBondContact CA-O 3.33Å; I179-A264 HydrophobicContact CD1-CB 4.44Å; I179-A264 HydrophobicContact CG1-CB 3.99Å; I179-W665 HydrophobicContact CD1-CD2 3.86Å; I179-W665 HydrophobicContact CD1-CE3 4.39Å; I179-W665 HydrophobicContact CD1-CG 4.25Å; I179-W665 HydrophobicContact CD1-CZ2 3.99Å
180A94.3Very high86.1Confident1 Ų126.8 Ų26.81%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-82.1146.8168.800000109.7I131 L133 V154 A155 F182 A262 F263I131-A180 HydrophobicContact CD1-CB 3.48Å; I131-A180 VanDerWaalsContact CD1-CB 3.48Å; L133-A180 HydrophobicContact CD1-CB 4.06Å; V154-A180 CarbonylContact O-C 3.59Å; V154-A180 VanDerWaalsContact O-CA 3.23Å; V154-A180 WeakPolarHBondContact O-CA 3.39Å; A155-A180 VanDerWaalsContact O-CA 3.3Å; A155-A180 WeakPolarHBondContact O-CA 3.05Å; A155-A180 VanDerWaalsContact O-CB 3.3Å; A155-A180 WeakPolarHBondContact O-CB 3.23Å; A155-A180 PolarHBondContact O-N 2.94Å; A180-F182 HydrophobicContact CB-CE2 4.43Å; A180-A262 CarbonylContact O-C 3.51Å; A180-A262 WeakPolarHBondContact O-CA 3.37Å; A180-F263 HydrophobicContact CB-CB 4.32Å; A180-F263 PolarHBondContact N-O 2.88Å; A180-F263 VanDerWaalsContact N-O 3.14Å; A180-F263 PolarHBondContact O-N 3.26Å
181A96.7Very high87.4Confident0 Ų025.4 Ų25.40%014%0.142CC..EExtended strand (participates in β ladder)trans-142.8143.4173.700000112.3F152 A153 V154 L157 L205 C261 A262F152-A181 HydrophobicContact CE2-CB 3.91Å; F152-A181 WeakPolarHBondContact CE2-O 3.49Å; F152-A181 HydrophobicContact CZ-CB 4.35Å; A153-A181 WeakPolarHBondContact CA-O 3.4Å; V154-A181 PolarHBondContact N-O 3.42Å; V154-A181 PolarHBondContact O-N 3.39Å; L157-A181 HydrophobicContact CD1-CB 3.54Å; L157-A181 HydrophobicContact CG-CB 4.28Å; A181-L205 HydrophobicContact CB-CD1 4.26Å; A181-C261 WeakPolarHBondContact CA-O 3.45Å; A181-A262 HydrophobicContact CB-CB 4.48Å
182F96.9Very high88.5Confident2 Ų223.9 Ų23.91%0.00913%0.129CC..EExtended strand (participates in β ladder)trans-124.6144.7175.8-52-91.6000107.7L128 L133 L135 F152 A153 A180 V260 C261 F263 M590 I652L128-F182 HydrophobicContact CD1-CE1 4.18Å; L128-F182 HydrophobicContact CD2-CE1 4.04Å; L128-F182 HydrophobicContact CD2-CZ 3.73Å; L133-F182 HydrophobicContact CD1-CE2 3.95Å; L133-F182 HydrophobicContact CD1-CZ 3.94Å; L135-F182 HydrophobicContact CD1-CD1 4.07Å; L135-F182 HydrophobicContact CD1-CE1 3.96Å; F152-F182 WeakPolarHBondContact O-CA 3.43Å; A153-F182 HydrophobicContact CB-CD1 3.66Å; A153-F182 HydrophobicContact CB-CE1 3.99Å; A180-F182 HydrophobicContact CB-CE2 4.43Å; F182-V260 CarbonylContact O-C 3.58Å; F182-V260 WeakPolarHBondContact O-CA 3.39Å; F182-C261 PolarHBondContact N-O 2.94Å; F182-C261 PolarHBondContact O-N 2.75Å; F182-F263 AromaticContact CD2-CD2 3.95Å; F182-F263 HydrophobicContact CD2-CD2 3.95Å; F182-F263 AromaticContact CD2-CE2 3.82Å; F182-F263 HydrophobicContact CD2-CE2 3.82Å; F182-F263 AromaticContact CE2-CD2 3.69Å; F182-F263 HydrophobicContact CE2-CD2 3.69Å; F182-F263 AromaticContact CE2-CE2 3.67Å; F182-F263 HydrophobicContact CE2-CE2 3.67Å; F182-M590 HydrophobicContact CB-CE 4.43Å; F182-M590 HydrophobicContact CB-SD 3.72Å; F182-I652 HydrophobicContact CD1-CD1 4.21Å; F182-I652 HydrophobicContact CD1-CG1 3.71Å; F182-I652 HydrophobicContact CD2-CG1 4Å; F182-I652 HydrophobicContact CE1-CG1 3.63Å; F182-I652 HydrophobicContact CE1-CG2 4.36Å; F182-I652 HydrophobicContact CE2-CG1 3.93Å; F182-I652 HydrophobicContact CE2-CG2 4.05Å; F182-I652 HydrophobicContact CG-CD1 4.17Å; F182-I652 HydrophobicContact CG-CG1 3.89Å; F182-I652 HydrophobicContact CZ-CB 4.45Å; F182-I652 HydrophobicContact CZ-CG1 3.74Å; F182-I652 HydrophobicContact CZ-CG2 3.76Å
183G97.5Very high89.5Confident1 Ų121.1 Ų21.11%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-149.7141.4177.300000112.8W151 F152 T259W151-G183 CarbonylContact C-O 3.6Å; W151-G183 WeakPolarHBondContact CA-O 3.44Å; W151-G183 VanDerWaalsContact CB-O 3.23Å; W151-G183 WeakPolarHBondContact CB-O 3.43Å; F152-G183 PolarHBondContact N-O 3.21Å; F152-G183 PolarHBondContact O-N 2.98Å; G183-T259 CarbonylContact C-O 3.48Å; G183-T259 VanDerWaalsContact CA-O 3.24Å; G183-T259 WeakPolarHBondContact CA-O 3.34Å
184I96.4Very high90.4Very high2 Ų220.9 Ų20.91%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-119.6140.9173.3-65-176.9000108.8W151 A258 T259 M590 T648W151-I184 HydrophobicContact CB-CG1 4.25Å; I184-A258 WeakPolarHBondContact O-CA 3.48Å; I184-T259 PolarHBondContact N-O 2.83Å; I184-T259 PolarHBondContact O-N 2.84Å; I184-M590 HydrophobicContact CD1-CB 3.6Å; I184-M590 WeakPolarHBondContact CD1-O 3.31Å; I184-M590 HydrophobicContact CG1-CB 4.32Å; I184-T648 HydrophobicContact CD1-CG2 4.29Å; I184-T648 HydrophobicContact CG1-CG2 4.46Å; I184-T648 HydrophobicContact CG2-CG2 4.48Å
185F95Very high91.3Very high0 Ų016.1 Ų16.10%09%0.088CC..EExtended strand (participates in β ladder)trans-135.1102.7-177.1-57.9-90.7000107.6D149 R150 F152 A194 C197 T201 T256 T257 A258 V260D149-F185 CarbonylContact C-O 3.5Å; D149-F185 VanDerWaalsContact CA-O 3.31Å; D149-F185 WeakPolarHBondContact CA-O 3.39Å; R150-F185 HydrophobicContact CB-CB 4.44Å; R150-F185 PolarHBondContact N-O 3.33Å; R150-F185 PolarHBondContact O-N 3.06Å; F152-F185 AromaticContact CD1-CE2 3.66Å; F152-F185 HydrophobicContact CD1-CE2 3.66Å; F152-F185 HydrophobicContact CD1-CZ 4.21Å; F152-F185 AromaticContact CE1-CE2 3.74Å; F152-F185 HydrophobicContact CE1-CE2 3.74Å; F152-F185 AromaticContact CE1-CZ 3.89Å; F152-F185 HydrophobicContact CE1-CZ 3.89Å; F185-A194 HydrophobicContact CB-CB 4Å; F185-C197 HydrophobicContact CD1-CB 3.47Å; F185-C197 VanDerWaalsContact CD1-CB 3.47Å; F185-C197 HydrophobicContact CE1-CB 3.52Å; F185-C197 HydrophobicContact CG-CB 4.2Å; F185-C197 HydrophobicContact CZ-CB 4.31Å; F185-T201 HydrophobicContact CZ-CG2 4.34Å; F185-T201 WeakPolarHBondContact CZ-OG1 3.4Å; F185-T256 HydrophobicContact CD1-CG2 4.24Å; F185-T257 WeakPolarHBondContact CA-O 3.37Å; F185-T257 WeakPolarHBondContact CD1-O 3.32Å; F185-A258 HydrophobicContact CD1-CB 3.68Å; F185-A258 HydrophobicContact CE1-CB 3.53Å; F185-V260 HydrophobicContact CZ-CG2 4.21Å
186D92.6Very high91.9Very high10 Ų1011.2 Ų11.25%0.0536%0.061CC..  trans-82.1122.5174.2-167.3-37.1000108T256 T257 S276 S592 D593D186-T256 VanDerWaalsContact C-OG1 3.3Å; D186-T256 CarbonylContact O-C 3.46Å; D186-T256 WeakPolarHBondContact O-CA 3.37Å; D186-T256 WeakPolarHBondContact O-CB 3.4Å; D186-T256 PolarHBondContact O-OG1 2.89Å; D186-T257 HydrophobicContact CB-CG2 3.79Å; D186-T257 WeakPolarHBondContact CB-OG1 3.36Å; D186-T257 PolarHBondContact N-OG1 2.83Å; D186-T257 PolarHBondContact O-N 2.84Å; D186-S276 WeakPolarHBondContact CB-OG 3.35Å; D186-S592 WeakPolarHBondContact OD2-CB 3.41Å; D186-D593 PolarHBondContact OD2-N 2.81Å
187G91.1Very high92.3Very high5 Ų59.9 Ų9.95%0.0526%0.055CC..EExtended strand (participates in β ladder)trans-98.1134.9-170.300000111.1E148E148-G187 WeakPolarHBondContact CB-O 3.5Å
188H86Confident92.7Very high13 Ų139.6 Ų9.66%0.065%0.053CC..EExtended strand (participates in β ladder)trans-125.8150.8175.169.2-138.5000112.5G190 S254 G255 S543 D546H188-G190 PolarHBondContact O-N 3.39Å; H188-G190 VanDerWaalsContact O-N 3.14Å; H188-S254 VanDerWaalsContact O-CA 3.31Å; H188-S254 WeakPolarHBondContact O-CA 3.48Å; H188-S254 WeakPolarHBondContact O-CB 3.45Å; H188-G255 PolarHBondContact CD2-N 2.91Å; H188-G255 PolarHBondContact N-O 2.86Å; H188-G255 WeakPolarHBondContact NE2-CA 3.26Å; H188-G255 PolarHBondContact O-N 2.82Å; H188-G255 VanDerWaalsContact O-N 3.14Å; H188-S543 VanDerWaalsContact CE1-CB 3.42Å; H188-S543 WeakPolarHBondContact CE1-CB 3.49Å; H188-S543 PolarHBondContact CE1-OG 3.42Å; H188-D546 IonicContact CE1-OD2 2.66Å; H188-D546 PolarHBondContact CE1-OD2 3.03Å; H188-D546 IonicContact NE2-OD1 3.47Å; H188-D546 IonicContact NE2-OD2 2.82Å
189N86Confident93.1Very high98 Ų987.9 Ų7.952%0.5244%0.042SC..SBendtrans55.720.3-172.9-60.2-69000113.5E148 R734E148-N189 PolarHBondContact OE2-N 3.37Å; N189-R734 VanDerWaalsContact ND2-CD 3.31Å; N189-R734 WeakPolarHBondContact ND2-CD 3.49Å
190G87.4Confident93.3Very high0 Ų07.9 Ų7.90%04%0.042CC..SBendtrans130.6149.6-177.300000114.1E148 H188 E192 S254E148-G190 WeakPolarHBondContact OE1-CA 3.37Å; E148-G190 WeakPolarHBondContact OE2-CA 3.39Å; E148-G190 PolarHBondContact OE2-N 2.82Å; H188-G190 PolarHBondContact O-N 3.39Å; H188-G190 VanDerWaalsContact O-N 3.14Å; G190-E192 VanDerWaalsContact C-N 3.28Å; G190-E192 VanDerWaalsContact CA-OE2 3.22Å; G190-E192 WeakPolarHBondContact CA-OE2 3.46Å; G190-E192 PolarHBondContact O-N 3.08Å; G190-S254 WeakPolarHBondContact O-CB 3.01Å
191P90.7Very high93.4Very high1 Ų17.9 Ų7.91%0.0064%0.042CC..SBendtrans-73-9.7-179.725.2-32.1000115.4V36 R150 V193 A194 E195V36-P191 HydrophobicContact CB-CG 3.83Å; V36-P191 HydrophobicContact CG1-CG 4Å; V36-P191 HydrophobicContact CG2-CB 4.48Å; V36-P191 HydrophobicContact CG2-CG 3.47Å; V36-P191 VanDerWaalsContact CG2-CG 3.47Å; R150-P191 VanDerWaalsContact NH2-CB 3.28Å; P191-V193 VanDerWaalsContact C-N 3.3Å; P191-V193 PolarHBondContact O-N 3.46Å; P191-A194 PolarHBondContact O-N 3.21Å; P191-E195 WeakPolarHBondContact O-CB 3.47Å; P191-E195 PolarHBondContact O-N 2.99Å
192E91.7Very high93.4Very high27 Ų277.9 Ų7.913%0.1264%0.042CC..Hα-helixtrans-62.3-39.6-161.1-57.578.4-169.900112V36 V37 R146 G190 H196 W252 S254V36-E192 HydrophobicContact CB-CG 4.17Å; V36-E192 HydrophobicContact CG1-CG 3.65Å; V36-E192 WeakPolarHBondContact CG1-OE1 3.45Å; V37-E192 HydrophobicContact CG2-CB 3.94Å; V37-E192 HydrophobicContact CG2-CG 4.45Å; R146-E192 IonicContact NH1-OE1 3.03Å; R146-E192 IonicContact NH2-OE1 3.16Å; G190-E192 VanDerWaalsContact C-N 3.28Å; G190-E192 VanDerWaalsContact CA-OE2 3.22Å; G190-E192 WeakPolarHBondContact CA-OE2 3.46Å; G190-E192 PolarHBondContact O-N 3.08Å; E192-H196 WeakPolarHBondContact O-CB 3.43Å; E192-H196 PolarHBondContact O-N 3.24Å; E192-W252 HydrophobicContact CB-CB 3.63Å; E192-W252 HydrophobicContact CB-CD2 4.42Å; E192-W252 HydrophobicContact CB-CE3 4.18Å; E192-W252 HydrophobicContact CB-CG 4.26Å; E192-W252 HydrophobicContact CG-CB 4.18Å; E192-S254 WeakPolarHBondContact OE2-CB 3.21Å; E192-S254 PolarHBondContact OE2-OG 3.37Å
193V92.1Very high93.3Very high0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-75.6-44.8179.1172.60000112P191 E195 H196 C197 V243 W252 S254 T256P191-V193 VanDerWaalsContact C-N 3.3Å; P191-V193 PolarHBondContact O-N 3.46Å; V193-E195 PolarHBondContact O-N 2.98Å; V193-H196 PolarHBondContact O-N 3.5Å; V193-C197 WeakPolarHBondContact O-CB 3.33Å; V193-C197 PolarHBondContact O-N 2.91Å; V193-C197 PolarHBondContact O-SG 2.95Å; V193-C197 VanDerWaalsContact O-SG 3.35Å; V193-V243 HydrophobicContact CG1-CB 4.4Å; V193-V243 HydrophobicContact CG1-CG1 3.81Å; V193-V243 HydrophobicContact CG1-CG2 3.62Å; V193-V243 HydrophobicContact CG2-CG1 3.83Å; V193-V243 HydrophobicContact CG2-CG2 4.48Å; V193-W252 HydrophobicContact CG2-CB 4.34Å; V193-W252 VanDerWaalsContact CG2-CD1 3.4Å; V193-W252 HydrophobicContact CG2-CD2 4.33Å; V193-W252 HydrophobicContact CG2-CG 3.79Å; V193-S254 WeakPolarHBondContact CG2-O 3.49Å; V193-T256 HydrophobicContact CG1-CG2 3.59Å
194A93.4Very high93.2Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-56.1-41.5171.700000111.6E148 R150 F185 P191 S198 T256E148-A194 VanDerWaalsContact O-CB 3.32Å; E148-A194 WeakPolarHBondContact O-CB 3.36Å; R150-A194 HydrophobicContact CB-CB 4.18Å; R150-A194 HydrophobicContact CG-CB 3.89Å; F185-A194 HydrophobicContact CB-CB 4Å; P191-A194 PolarHBondContact O-N 3.21Å; A194-S198 WeakPolarHBondContact O-CB 3.27Å; A194-S198 PolarHBondContact O-N 2.95Å; A194-S198 PolarHBondContact O-OG 3.31Å; A194-T256 WeakPolarHBondContact CA-OG1 3.42Å; A194-T256 VanDerWaalsContact CB-OG1 3.29Å; A194-T256 WeakPolarHBondContact CB-OG1 3.25Å
195E93.4Very high93.2Very high1 Ų110.5 Ų10.51%0.0055%0.053CC..Hα-helixtrans-66.1-45.8177.6-167.1170.8131.500111.3H35 R150 P191 V193 S198 H199H35-E195 WeakPolarHBondContact CB-OE1 3.42Å; H35-E195 IonicContact CE1-OE1 2.86Å; H35-E195 IonicContact CG-OE1 2.93Å; H35-E195 IonicContact ND1-OE1 2.74Å; H35-E195 PolarHBondContact ND1-OE1 3.33Å; H35-E195 IonicContact ND1-OE2 3.8Å; R150-E195 HydrophobicContact CG-CB 4.21Å; R150-E195 IonicContact CZ-OE2 3.44Å; R150-E195 IonicContact NE-OE2 3.93Å; R150-E195 PolarHBondContact NE-OE2 3.35Å; R150-E195 IonicContact NH2-OE2 3.06Å; R150-E195 PolarHBondContact NH2-OE2 2.83Å; P191-E195 WeakPolarHBondContact O-CB 3.47Å; P191-E195 PolarHBondContact O-N 2.99Å; V193-E195 PolarHBondContact O-N 2.98Å; E195-S198 PolarHBondContact O-N 3Å; E195-S198 PolarHBondContact O-OG 2.83Å; E195-H199 PolarHBondContact O-N 3.36Å; E195-H199 PolarHBondContact O-ND1 3.41Å
196H94.5Very high93.1Very high1 Ų110.5 Ų10.51%0.0055%0.053CC..Hα-helixtrans-59.1-50.6174.6-173.863.7000112.3Y44 Y48 E192 V193 S198 H199 L200 S242 W252Y44-H196 AromaticContact CD2-CE1 3.9Å; Y44-H196 AromaticContact CG-CE1 3.94Å; Y48-H196 AromaticContact CE2-ND1 3.76Å; Y48-H196 AromaticContact CZ-ND1 3.82Å; Y48-H196 WeakPolarHBondContact OH-CA 3.25Å; Y48-H196 PolarHBondContact OH-ND1 2.74Å; E192-H196 WeakPolarHBondContact O-CB 3.43Å; E192-H196 PolarHBondContact O-N 3.24Å; V193-H196 PolarHBondContact O-N 3.5Å; H196-S198 PolarHBondContact O-N 2.85Å; H196-H199 PolarHBondContact O-N 3.39Å; H196-L200 WeakPolarHBondContact NE2-CD2 3.22Å; H196-L200 VanDerWaalsContact O-CB 3.29Å; H196-L200 WeakPolarHBondContact O-CB 3.34Å; H196-L200 PolarHBondContact O-N 3.29Å; H196-S242 PolarHBondContact NE2-OG 2.98Å; H196-W252 HydrophobicContact CB-CH2 4.23Å; H196-W252 AromaticContact CG-CH2 3.8Å; H196-W252 AromaticContact ND1-CH2 3.8Å
197C95.2Very high92.9Very high0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-62.2-41.6179.8-67.40000112.2F185 V193 H199 L200 T201 L239 T256F185-C197 HydrophobicContact CD1-CB 3.47Å; F185-C197 VanDerWaalsContact CD1-CB 3.47Å; F185-C197 HydrophobicContact CE1-CB 3.52Å; F185-C197 HydrophobicContact CG-CB 4.2Å; F185-C197 HydrophobicContact CZ-CB 4.31Å; V193-C197 WeakPolarHBondContact O-CB 3.33Å; V193-C197 PolarHBondContact O-N 2.91Å; V193-C197 PolarHBondContact O-SG 2.95Å; V193-C197 VanDerWaalsContact O-SG 3.35Å; C197-H199 VanDerWaalsContact C-N 3.27Å; C197-H199 PolarHBondContact O-N 2.67Å; C197-L200 PolarHBondContact O-N 3.29Å; C197-T201 VanDerWaalsContact O-CB 3.31Å; C197-T201 WeakPolarHBondContact O-CB 3.16Å; C197-T201 PolarHBondContact O-N 3.23Å; C197-T201 PolarHBondContact O-OG1 2.55Å; C197-L239 HydrophobicContact CB-CD2 4.32Å; C197-T256 HydrophobicContact CB-CG2 4.3Å
198S95.6Very high92.9Very high0 Ų012.2 Ų12.20%06%0.06CC..Hα-helixtrans-64.5-26.6178.277.60000114.5S51 K55 A194 E195 H196S51-S198 PolarHBondContact OG-O 3.03Å; K55-S198 PolarHBondContact NZ-OG 3.17Å; A194-S198 WeakPolarHBondContact O-CB 3.27Å; A194-S198 PolarHBondContact O-N 2.95Å; A194-S198 PolarHBondContact O-OG 3.31Å; E195-S198 PolarHBondContact O-N 3Å; E195-S198 PolarHBondContact O-OG 2.83Å; H196-S198 PolarHBondContact O-N 2.85Å
199H95.3Very high93Very high1 Ų111.8 Ų11.81%0.0056%0.058CC..Hα-helixtrans-87.6-37.4174.7-62.8105.9000111.9Y48 S51 K55 E195 H196 C197Y48-H199 HydrophobicContact CD1-CB 3.97Å; Y48-H199 AromaticContact CD1-CG 3.66Å; Y48-H199 AromaticContact CD1-ND1 3.63Å; Y48-H199 HydrophobicContact CD2-CB 4.01Å; Y48-H199 HydrophobicContact CE1-CB 4.14Å; Y48-H199 AromaticContact CE1-CG 3.86Å; Y48-H199 AromaticContact CE1-ND1 3.43Å; Y48-H199 WeakPolarHBondContact CE1-ND1 3.23Å; Y48-H199 HydrophobicContact CE2-CB 4.17Å; Y48-H199 HydrophobicContact CG-CB 3.94Å; S51-H199 PolarHBondContact OG-CD2 3.42Å; S51-H199 VanDerWaalsContact OG-CD2 3.31Å; K55-H199 PolarHBondContact NZ-CD2 3.21Å; K55-H199 PolarHBondContact NZ-CE1 3.21Å; K55-H199 PolarHBondContact NZ-NE2 3.46Å; E195-H199 PolarHBondContact O-N 3.36Å; E195-H199 PolarHBondContact O-ND1 3.41Å; H196-H199 PolarHBondContact O-N 3.39Å; C197-H199 VanDerWaalsContact C-N 3.27Å; C197-H199 PolarHBondContact O-N 2.67Å
200L96.3Very high93Very high3 Ų37.8 Ų7.82%0.0164%0.036CC..Hα-helixtrans-80.6-36-173.7-174.555000113.6Y44 A47 H196 C197 Y203 L204 L239 S242Y44-L200 HydrophobicContact CD1-CD1 3.77Å; Y44-L200 HydrophobicContact CD1-CD2 3.96Å; Y44-L200 HydrophobicContact CE1-CD1 4.23Å; Y44-L200 HydrophobicContact CE1-CD2 3.77Å; A47-L200 HydrophobicContact CB-CD1 4.09Å; H196-L200 WeakPolarHBondContact NE2-CD2 3.22Å; H196-L200 VanDerWaalsContact O-CB 3.29Å; H196-L200 WeakPolarHBondContact O-CB 3.34Å; H196-L200 PolarHBondContact O-N 3.29Å; C197-L200 PolarHBondContact O-N 3.29Å; L200-Y203 HydrophobicContact CD1-CD1 4.28Å; L200-Y203 PolarHBondContact O-N 3.3Å; L200-L204 HydrophobicContact CD1-CD1 4.17Å; L200-L204 HydrophobicContact CD1-CD2 4.02Å; L200-L204 HydrophobicContact CD1-CG 3.75Å; L200-L204 HydrophobicContact CD2-CD1 4.08Å; L200-L204 HydrophobicContact CG-CD1 3.68Å; L200-L204 HydrophobicContact CG-CD2 4.45Å; L200-L204 HydrophobicContact CG-CG 3.76Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.47Å; L200-L239 HydrophobicContact CB-CD2 4Å; L200-L239 HydrophobicContact CD2-CD2 4.03Å; L200-L239 HydrophobicContact CG-CD2 3.98Å; L200-S242 WeakPolarHBondContact CD2-OG 3.33Å
201T97.5Very high92.8Very high1 Ų111.9 Ų11.91%0.0065%0.052CC..Hα-helixtrans-54.2-54.3-175.7-56.10000114.5F152 F185 C197 Y203 L204 L205 I235 L239 V260F152-T201 HydrophobicContact CD1-CG2 4.46Å; F152-T201 HydrophobicContact CE1-CG2 3.44Å; F152-T201 VanDerWaalsContact CE1-CG2 3.44Å; F152-T201 HydrophobicContact CZ-CG2 3.67Å; F185-T201 HydrophobicContact CZ-CG2 4.34Å; F185-T201 WeakPolarHBondContact CZ-OG1 3.4Å; C197-T201 VanDerWaalsContact O-CB 3.31Å; C197-T201 WeakPolarHBondContact O-CB 3.16Å; C197-T201 PolarHBondContact O-N 3.23Å; C197-T201 PolarHBondContact O-OG1 2.55Å; T201-Y203 VanDerWaalsContact C-N 3.28Å; T201-Y203 PolarHBondContact O-N 2.85Å; T201-L204 PolarHBondContact O-N 3.45Å; T201-L205 HydrophobicContact CG2-CD1 3.81Å; T201-L205 HydrophobicContact CG2-CG 4.37Å; T201-L205 WeakPolarHBondContact O-CG 3.35Å; T201-L205 PolarHBondContact O-N 2.74Å; T201-I235 HydrophobicContact CG2-CG2 4.14Å; T201-L239 WeakPolarHBondContact OG1-CD1 3.34Å; T201-V260 HydrophobicContact CG2-CG2 4.32Å
202P96Very high92.2Very high0 Ų012.1 Ų12.10%05%0.053CC..Hα-helixtrans-64.7-32.7-178.525.4-35000112.7F152 V154 L157 Y160 S206F152-P202 HydrophobicContact CD2-CB 4.16Å; F152-P202 HydrophobicContact CD2-CG 4.32Å; F152-P202 HydrophobicContact CE2-CB 4.33Å; F152-P202 HydrophobicContact CG-CG 4.28Å; V154-P202 HydrophobicContact CG2-CB 3.77Å; L157-P202 HydrophobicContact CD2-CB 4.09Å; L157-P202 WeakPolarHBondContact CD2-O 3.22Å; Y160-P202 HydrophobicContact CD1-CB 4.22Å; Y160-P202 WeakPolarHBondContact CD1-O 3.33Å; Y160-P202 HydrophobicContact CE1-CB 3.79Å; Y160-P202 HydrophobicContact CE1-CG 4.12Å; Y160-P202 HydrophobicContact CE2-CB 4.48Å; P202-S206 VanDerWaalsContact O-CB 3.3Å; P202-S206 WeakPolarHBondContact O-CB 3.44Å; P202-S206 PolarHBondContact O-N 3.4Å
203Y95.7Very high91.6Very high48 Ų4811.1 Ų11.119%0.1885%0.048CC..Hα-helixtrans-66.3-46.7174.3178.7-97.6000111.6M46 A47 L50 V161 L200 T201 S206 I207M46-Y203 HydrophobicContact CB-CE2 4.29Å; M46-Y203 HydrophobicContact CG-CE2 4.17Å; A47-Y203 VanDerWaalsContact CB-CB 3.48Å; A47-Y203 HydrophobicContact CB-CD1 3.9Å; A47-Y203 HydrophobicContact CB-CD2 4.2Å; A47-Y203 HydrophobicContact CB-CG 3.59Å; L50-Y203 HydrophobicContact CD1-CD2 4.18Å; V161-Y203 HydrophobicContact CG2-CD2 3.59Å; V161-Y203 HydrophobicContact CG2-CE2 3.79Å; L200-Y203 HydrophobicContact CD1-CD1 4.28Å; L200-Y203 PolarHBondContact O-N 3.3Å; T201-Y203 VanDerWaalsContact C-N 3.28Å; T201-Y203 PolarHBondContact O-N 2.85Å; Y203-S206 PolarHBondContact O-N 3.26Å; Y203-I207 HydrophobicContact CD1-CD1 4.38Å; Y203-I207 HydrophobicContact CE1-CD1 3.97Å; Y203-I207 HydrophobicContact CE1-CG2 4.3Å; Y203-I207 HydrophobicContact CE2-CG2 4.27Å; Y203-I207 PolarHBondContact O-N 3.48Å; Y203-I207 VanDerWaalsContact O-N 3.08Å
204L95.5Very high90.8Very high5 Ų513.6 Ų13.63%0.0266%0.061CC..Hα-helixtrans-63-44.2178-71.4-174.7000112.4L200 T201 S206 I207 E208 I235 R238 L239L200-L204 HydrophobicContact CD1-CD1 4.17Å; L200-L204 HydrophobicContact CD1-CD2 4.02Å; L200-L204 HydrophobicContact CD1-CG 3.75Å; L200-L204 HydrophobicContact CD2-CD1 4.08Å; L200-L204 HydrophobicContact CG-CD1 3.68Å; L200-L204 HydrophobicContact CG-CD2 4.45Å; L200-L204 HydrophobicContact CG-CG 3.76Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.47Å; T201-L204 PolarHBondContact O-N 3.45Å; L204-S206 PolarHBondContact O-N 3.29Å; L204-I207 HydrophobicContact CD2-CD1 4.01Å; L204-I207 VanDerWaalsContact O-CG1 3.28Å; L204-I207 WeakPolarHBondContact O-CG1 3.23Å; L204-I207 PolarHBondContact O-N 2.73Å; L204-E208 WeakPolarHBondContact O-CG 3.22Å; L204-E208 PolarHBondContact O-N 2.82Å; L204-E208 VanDerWaalsContact O-N 3.08Å; L204-I235 HydrophobicContact CB-CD1 3.94Å; L204-I235 HydrophobicContact CB-CG1 4.29Å; L204-I235 HydrophobicContact CB-CG2 3.98Å; L204-I235 HydrophobicContact CD1-CG2 4.18Å; L204-R238 HydrophobicContact CD1-CB 3.98Å; L204-L239 HydrophobicContact CD1-CD2 4Å; L204-L239 HydrophobicContact CD1-CG 4.2Å
205L95.4Very high89.7Confident6 Ų614.2 Ų14.23%0.0317%0.065CC..Hα-helixtrans-58.2-48.5174.9-74.7167.6000111.1F152 L157 A181 T201 I207 E208 L209 I231 L232 I235 V260F152-L205 HydrophobicContact CZ-CD1 4.34Å; L157-L205 HydrophobicContact CD1-CB 3.8Å; L157-L205 HydrophobicContact CD1-CD1 3.9Å; L157-L205 HydrophobicContact CD1-CG 4.36Å; L157-L205 HydrophobicContact CD2-CB 3.89Å; L157-L205 HydrophobicContact CD2-CD1 4.39Å; L157-L205 HydrophobicContact CG-CB 4.39Å; A181-L205 HydrophobicContact CB-CD1 4.26Å; T201-L205 HydrophobicContact CG2-CD1 3.81Å; T201-L205 HydrophobicContact CG2-CG 4.37Å; T201-L205 WeakPolarHBondContact O-CG 3.35Å; T201-L205 PolarHBondContact O-N 2.74Å; L205-I207 PolarHBondContact O-N 2.81Å; L205-E208 PolarHBondContact O-N 2.81Å; L205-L209 WeakPolarHBondContact O-CB 3.3Å; L205-L209 WeakPolarHBondContact O-CD1 3.43Å; L205-L209 WeakPolarHBondContact O-CG 3.29Å; L205-L209 PolarHBondContact O-N 3.11Å; L205-I231 HydrophobicContact CD2-CG2 4.31Å; L205-L232 HydrophobicContact CD2-CD2 4.02Å; L205-I235 HydrophobicContact CD2-CB 4.36Å; L205-I235 HydrophobicContact CD2-CG1 3.48Å; L205-I235 VanDerWaalsContact CD2-CG1 3.48Å; L205-I235 HydrophobicContact CG-CG1 3.84Å; L205-I235 HydrophobicContact CG-CG2 4.46Å; L205-V260 HydrophobicContact CD1-CG1 4.45Å
206S92.6Very high88.3Confident0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-56.9-49.1179.3-171.30000112.8L157 V161 P202 Y203 L204 Q210L157-S206 WeakPolarHBondContact O-CA 3.38Å; L157-S206 WeakPolarHBondContact O-CB 3.31Å; L157-S206 PolarHBondContact O-OG 2.91Å; V161-S206 WeakPolarHBondContact CB-OG 3.33Å; V161-S206 PolarHBondContact N-OG 3.4Å; P202-S206 VanDerWaalsContact O-CB 3.3Å; P202-S206 WeakPolarHBondContact O-CB 3.44Å; P202-S206 PolarHBondContact O-N 3.4Å; Y203-S206 PolarHBondContact O-N 3.26Å; L204-S206 PolarHBondContact O-N 3.29Å; S206-Q210 WeakPolarHBondContact O-CG 3.45Å; S206-Q210 PolarHBondContact O-N 3.11Å
207I90.4Very high86.7Confident41 Ų4121.3 Ų21.321%0.2112%0.115CC..Hα-helixtrans-70.2-34.1-178.565.7177.3000113.1V161 Y203 L204 L205 R211V161-I207 HydrophobicContact CG1-CG2 4.44Å; V161-I207 HydrophobicContact CG2-CG2 4.45Å; Y203-I207 HydrophobicContact CD1-CD1 4.38Å; Y203-I207 HydrophobicContact CE1-CD1 3.97Å; Y203-I207 HydrophobicContact CE1-CG2 4.3Å; Y203-I207 HydrophobicContact CE2-CG2 4.27Å; Y203-I207 PolarHBondContact O-N 3.48Å; Y203-I207 VanDerWaalsContact O-N 3.08Å; L204-I207 HydrophobicContact CD2-CD1 4.01Å; L204-I207 VanDerWaalsContact O-CG1 3.28Å; L204-I207 WeakPolarHBondContact O-CG1 3.23Å; L204-I207 PolarHBondContact O-N 2.73Å; L205-I207 PolarHBondContact O-N 2.81Å; I207-R211 VanDerWaalsContact O-CB 3.25Å; I207-R211 WeakPolarHBondContact O-CB 3.04Å; I207-R211 PolarHBondContact O-N 3.44Å
208E89.5Confident84.9Confident11 Ų1123 Ų235%0.05113%0.127CC..Hα-helixtrans-72.3-39.3177.7-72.6-57.9146.600112.1L204 L205 R211 H212 I231 I235 R238L204-E208 WeakPolarHBondContact O-CG 3.22Å; L204-E208 PolarHBondContact O-N 2.82Å; L204-E208 VanDerWaalsContact O-N 3.08Å; L205-E208 PolarHBondContact O-N 2.81Å; E208-R211 PolarHBondContact O-N 3.45Å; E208-R211 IonicContact OE1-NE 3.79Å; E208-R211 IonicContact OE1-NH2 3.19Å; E208-R211 IonicContact OE2-CZ 3.16Å; E208-R211 IonicContact OE2-NE 2.67Å; E208-R211 PolarHBondContact OE2-NE 3.11Å; E208-R211 IonicContact OE2-NH2 3.78Å; E208-R211 PolarHBondContact OE2-NH2 3.09Å; E208-H212 PolarHBondContact O-N 2.85Å; E208-I231 HydrophobicContact CB-CG2 3.83Å; E208-I235 HydrophobicContact CB-CD1 4.02Å; E208-I235 HydrophobicContact CG-CD1 3.46Å; E208-I235 VanDerWaalsContact CG-CD1 3.46Å; E208-R238 IonicContact OE1-CZ 3.5Å; E208-R238 IonicContact OE1-NH1 3.73Å; E208-R238 PolarHBondContact OE1-NH1 2.79Å
209L89.6Confident82.8Confident4 Ų427.4 Ų27.42%0.02116%0.158CC..Hα-helixtrans-61.1-45.6172.7-70.7168.2000111.4L157 L158 I179 L205 R211 H212 I213 I231 W665L157-L209 HydrophobicContact CB-CD1 3.67Å; L157-L209 HydrophobicContact CD1-CD1 4.1Å; L158-L209 HydrophobicContact CD2-CB 3.56Å; L158-L209 HydrophobicContact CD2-CD1 3.99Å; L158-L209 HydrophobicContact CD2-CG 4.27Å; I179-L209 HydrophobicContact CB-CD1 4.37Å; I179-L209 HydrophobicContact CD1-CD1 3.92Å; I179-L209 HydrophobicContact CD1-CD2 3.51Å; I179-L209 HydrophobicContact CD1-CG 4.37Å; L205-L209 WeakPolarHBondContact O-CB 3.3Å; L205-L209 WeakPolarHBondContact O-CD1 3.43Å; L205-L209 WeakPolarHBondContact O-CG 3.29Å; L205-L209 PolarHBondContact O-N 3.11Å; L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 3.5Å; L209-H212 WeakPolarHBondContact O-CB 3.4Å; L209-H212 PolarHBondContact O-N 2.94Å; L209-I213 WeakPolarHBondContact O-CG1 3.43Å; L209-I213 PolarHBondContact O-N 2.79Å; L209-I213 VanDerWaalsContact O-N 3.13Å; L209-I231 HydrophobicContact CD2-CD1 3.7Å; L209-I231 HydrophobicContact CD2-CG2 4.42Å; L209-I231 HydrophobicContact CG-CD1 4.46Å; L209-I231 HydrophobicContact CG-CG2 4.45Å; L209-W665 HydrophobicContact CB-CH2 4Å; L209-W665 HydrophobicContact CB-CZ3 4.49Å; L209-W665 HydrophobicContact CD2-CE3 4.1Å; L209-W665 HydrophobicContact CD2-CH2 3.64Å; L209-W665 HydrophobicContact CD2-CZ2 4.27Å; L209-W665 HydrophobicContact CD2-CZ3 3.51Å; L209-W665 HydrophobicContact CG-CH2 4.42Å
210Q84.9Confident80.9Confident14 Ų1434.5 Ų34.57%0.06519%0.194CC..Hα-helixtrans-65.4-36.8175.1-72.5-1782.400112.6L158 V161 S206 H212 I213 L214L158-Q210 PolarHBondContact O-NE2 3.4Å; V161-Q210 PolarHBondContact O-NE2 3.32Å; S206-Q210 WeakPolarHBondContact O-CG 3.45Å; S206-Q210 PolarHBondContact O-N 3.11Å; Q210-H212 VanDerWaalsContact C-N 3.29Å; Q210-H212 PolarHBondContact O-N 3.44Å; Q210-I213 PolarHBondContact O-N 3.05Å; Q210-L214 VanDerWaalsContact O-CB 3.3Å; Q210-L214 WeakPolarHBondContact O-CB 3.46Å; Q210-L214 WeakPolarHBondContact O-CG 3.19Å; Q210-L214 PolarHBondContact O-N 2.91Å
211R82.9Confident78.7Confident86 Ų8638.2 Ų38.233%0.32521%0.214SC..Hα-helixtrans-63.3-36.5175.5-168.5170.773.596.2-3.7111.5I207 E208 L209 S215 Y224I207-R211 VanDerWaalsContact O-CB 3.25Å; I207-R211 WeakPolarHBondContact O-CB 3.04Å; I207-R211 PolarHBondContact O-N 3.44Å; E208-R211 PolarHBondContact O-N 3.45Å; E208-R211 IonicContact OE1-NE 3.79Å; E208-R211 IonicContact OE1-NH2 3.19Å; E208-R211 IonicContact OE2-CZ 3.16Å; E208-R211 IonicContact OE2-NE 2.67Å; E208-R211 PolarHBondContact OE2-NE 3.11Å; E208-R211 IonicContact OE2-NH2 3.78Å; E208-R211 PolarHBondContact OE2-NH2 3.09Å; L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 3.5Å; R211-S215 WeakPolarHBondContact O-CB 3.24Å; R211-S215 PolarHBondContact O-N 2.82Å; R211-S215 PolarHBondContact O-OG 3.48Å; R211-Y224 VanDerWaalsContact NH1-CZ 3.31Å; R211-Y224 PolarHBondContact NH1-OH 2.91Å; R211-Y224 PolarHBondContact NH2-OH 2.99Å
212H78.5Confident76.4Confident6 Ų647.2 Ų47.23%0.02825%0.248CC..Hα-helixtrans-63.4-49.9172.7173.4-102.2000112.5E208 L209 Q210 L214 S215 S216 S225 K226 I231 W665E208-H212 PolarHBondContact O-N 2.85Å; L209-H212 WeakPolarHBondContact O-CB 3.4Å; L209-H212 PolarHBondContact O-N 2.94Å; Q210-H212 VanDerWaalsContact C-N 3.29Å; Q210-H212 PolarHBondContact O-N 3.44Å; H212-L214 PolarHBondContact O-N 3.25Å; H212-S215 PolarHBondContact O-N 2.97Å; H212-S216 WeakPolarHBondContact O-CB 3.22Å; H212-S216 PolarHBondContact O-N 3.4Å; H212-S216 PolarHBondContact O-OG 2.73Å; H212-S225 PolarHBondContact NE2-OG 3Å; H212-K226 PolarHBondContact CD2-N 2.94Å; H212-K226 VanDerWaalsContact CD2-N 3.3Å; H212-I231 HydrophobicContact CB-CD1 4.31Å; H212-W665 HydrophobicContact CB-CZ3 4.38Å; H212-W665 AromaticContact ND1-CE3 3.8Å; H212-W665 AromaticContact ND1-CZ3 3.25Å; H212-W665 WeakPolarHBondContact ND1-CZ3 3.39Å
213I79.8Confident74Confident5 Ų552.3 Ų52.33%0.02628%0.275CS..Hα-helixtrans-56.9-51.2176.1-63.2172.4000110.5L158 Y172 F176 L209 Q210 S215 S216 S217 W665L158-I213 HydrophobicContact CD2-CD1 4Å; Y172-I213 HydrophobicContact CD2-CG2 3.88Å; Y172-I213 HydrophobicContact CE2-CG2 4.03Å; F176-I213 HydrophobicContact CD1-CD1 4.2Å; F176-I213 HydrophobicContact CD1-CG1 4.03Å; F176-I213 HydrophobicContact CD2-CD1 4.13Å; F176-I213 HydrophobicContact CD2-CG1 4.35Å; F176-I213 HydrophobicContact CE1-CD1 4.38Å; F176-I213 HydrophobicContact CE1-CG1 3.74Å; F176-I213 HydrophobicContact CE2-CD1 4.32Å; F176-I213 HydrophobicContact CE2-CG1 4.1Å; F176-I213 HydrophobicContact CE2-CG2 3.88Å; F176-I213 HydrophobicContact CG-CD1 4.09Å; F176-I213 HydrophobicContact CG-CG1 4.34Å; F176-I213 HydrophobicContact CZ-CB 4.31Å; F176-I213 HydrophobicContact CZ-CD1 4.45Å; F176-I213 HydrophobicContact CZ-CG1 3.79Å; F176-I213 HydrophobicContact CZ-CG2 3.97Å; L209-I213 WeakPolarHBondContact O-CG1 3.43Å; L209-I213 PolarHBondContact O-N 2.79Å; L209-I213 VanDerWaalsContact O-N 3.13Å; Q210-I213 PolarHBondContact O-N 3.05Å; I213-S215 PolarHBondContact O-N 3.3Å; I213-S216 WeakPolarHBondContact O-CB 3.39Å; I213-S216 PolarHBondContact O-N 3.03Å; I213-S217 PolarHBondContact O-N 2.66Å; I213-S217 PolarHBondContact O-OG 3.2Å; I213-W665 HydrophobicContact CD1-CH2 3.82Å; I213-W665 HydrophobicContact CD1-CZ2 3.99Å; I213-W665 HydrophobicContact CG1-CH2 3.74Å; I213-W665 HydrophobicContact CG1-CZ2 4.27Å
214L74.2Confident72Confident52 Ų5251.6 Ų51.627%0.27227%0.272SS..Hα-helixtrans-67-34.5-176.3-69.7171.5000113.4K165 Q210 H212K165-L214 HydrophobicContact CD-CD2 3.61Å; K165-L214 HydrophobicContact CG-CD2 4.09Å; Q210-L214 VanDerWaalsContact O-CB 3.3Å; Q210-L214 WeakPolarHBondContact O-CB 3.46Å; Q210-L214 WeakPolarHBondContact O-CG 3.19Å; Q210-L214 PolarHBondContact O-N 2.91Å; H212-L214 PolarHBondContact O-N 3.25Å
215S71.2Confident70.6Confident13 Ų1354.4 Ų54.49%0.09129%0.292CS..Hα-helixtrans-67.3-42.5173.1-74.50000111.5R211 H212 I213 S217 S218R211-S215 WeakPolarHBondContact O-CB 3.24Å; R211-S215 PolarHBondContact O-N 2.82Å; R211-S215 PolarHBondContact O-OG 3.48Å; H212-S215 PolarHBondContact O-N 2.97Å; I213-S215 PolarHBondContact O-N 3.3Å; S215-S217 VanDerWaalsContact C-N 3.28Å; S215-S217 PolarHBondContact O-N 2.81Å; S215-S218 PolarHBondContact O-N 3.4Å; S215-S218 PolarHBondContact O-OG 2.81Å
216S64.3Low69.7Low58 Ų5854.6 Ų54.641%0.40629%0.293SS..Hα-helixtrans-60.9-34.7179.9-59.70000112.6H212 I213 S218H212-S216 WeakPolarHBondContact O-CB 3.22Å; H212-S216 PolarHBondContact O-N 3.4Å; H212-S216 PolarHBondContact O-OG 2.73Å; I213-S216 WeakPolarHBondContact O-CB 3.39Å; I213-S216 PolarHBondContact O-N 3.03Å; S216-S218 VanDerWaalsContact C-N 3.26Å; S216-S218 PolarHBondContact O-N 2.91Å
217S60.4Low69.4Low93 Ų9354.8 Ų54.865%0.6529%0.294SS*.THydrogen-bonded Turntrans-72.3-13.7173.9-43.80000114.4I213 S215I213-S217 PolarHBondContact O-N 2.66Å; I213-S217 PolarHBondContact O-OG 3.2Å; S215-S217 VanDerWaalsContact C-N 3.28Å; S215-S217 PolarHBondContact O-N 2.81Å
218S56.9Low69.4Low36 Ų3653 Ų5325%0.25229%0.285SS..  trans-99.6120.4-177.170.70000111.4S215 S216 I220 N221S215-S218 PolarHBondContact O-N 3.4Å; S215-S218 PolarHBondContact O-OG 2.81Å; S216-S218 VanDerWaalsContact C-N 3.26Å; S216-S218 PolarHBondContact O-N 2.91Å; S218-I220 PolarHBondContact O-N 3.13Å; S218-N221 PolarHBondContact O-N 2.66Å; S218-N221 VanDerWaalsContact O-N 3.08Å
219S53.1Low69.2Low92 Ų9252.5 Ų52.564%0.64328%0.283SS*.G310 helixtrans-55.7-25.1178.650.50000113.8
220I53.5Low68.9Low151 Ų15153.6 Ų53.677%0.77429%0.289SS*.G310 helixtrans-76.5-28.2-178.3-60.1168.8000112.3S218S218-I220 PolarHBondContact O-N 3.13Å
221N50.4Low69.2Low80 Ų8053.1 Ų53.143%0.42829%0.286SS..G310 helixtrans-117.529-175.5-78.9-30000114.3S218 N223 Y224S218-N221 PolarHBondContact O-N 2.66Å; S218-N221 VanDerWaalsContact O-N 3.08Å; N221-N223 PolarHBondContact O-N 2.92Å; N221-Y224 PolarHBondContact O-N 2.9Å
222R48.9Very low69.5Low191 Ų19149.1 Ų49.172%0.72127%0.272SS*.THydrogen-bonded Turntrans-54.7-17.5174.5-72.8-176.7174.7174-0.4114.8Y224R222-Y224 VanDerWaalsContact C-N 3.33Å
223N47.2Very low69.8Low106 Ų10648.9 Ų48.957%0.56727%0.27SS*.THydrogen-bonded Turntrans-82.9-2.7175.8-64.3-19.6000114N221N221-N223 PolarHBondContact O-N 2.92Å
224Y53Low70Confident34 Ų3448.9 Ų48.913%0.13327%0.27CS..  trans-105.758-178.7-147.3-77.5000112.2R211 N221 R222 K226 S675R211-Y224 VanDerWaalsContact NH1-CZ 3.31Å; R211-Y224 PolarHBondContact NH1-OH 2.91Å; R211-Y224 PolarHBondContact NH2-OH 2.99Å; N221-Y224 PolarHBondContact O-N 2.9Å; R222-Y224 VanDerWaalsContact C-N 3.33Å; Y224-K226 HydrophobicContact CE1-CD 4.03Å; Y224-K226 HydrophobicContact CE1-CG 4.06Å; Y224-K226 WeakPolarHBondContact OH-CE 3.4Å; Y224-S675 WeakPolarHBondContact CD2-OG 3.49Å; Y224-S675 WeakPolarHBondContact CE2-O 3.45Å; Y224-S675 WeakPolarHBondContact CE2-OG 3.39Å; Y224-S675 PolarHBondContact OH-O 2.87Å
225S66.5Low70.9Confident64 Ų6446.5 Ų46.545%0.44826%0.258SS..  trans-98.4114.6165.6-164.60000109.5H212H212-S225 PolarHBondContact NE2-OG 3Å
226K76.9Confident71.7Confident10 Ų1046.2 Ų46.24%0.04326%0.255CS..  trans-100.8133.8172.2-76.5-171.4167.1-168.50108.8H212 Y224 D230 I231 E234H212-K226 PolarHBondContact CD2-N 2.94Å; H212-K226 VanDerWaalsContact CD2-N 3.3Å; Y224-K226 HydrophobicContact CE1-CD 4.03Å; Y224-K226 HydrophobicContact CE1-CG 4.06Å; Y224-K226 WeakPolarHBondContact OH-CE 3.4Å; K226-D230 HydrophobicContact CB-CB 4.08Å; K226-D230 HydrophobicContact CD-CB 4.32Å; K226-D230 HydrophobicContact CG-CB 4.19Å; K226-I231 HydrophobicContact CB-CD1 4.25Å; K226-I231 HydrophobicContact CB-CG1 3.78Å; K226-I231 HydrophobicContact CD-CG1 4.04Å; K226-E234 VanDerWaalsContact NZ-CB 3.31Å; K226-E234 VanDerWaalsContact NZ-CD 3.34Å; K226-E234 VanDerWaalsContact NZ-CG 3.26Å; K226-E234 IonicContact NZ-OE2 3.77Å; K226-E234 PolarHBondContact NZ-OE2 2.96Å
227C85.4Confident72.6Confident3 Ų346 Ų462%0.0225%0.247CC..  trans-68.1160.4165.559.20000110.1P229 D230 I231 T666 C669C227-P229 VanDerWaalsContact C-N 3.34Å; C227-D230 PolarHBondContact O-N 2.76Å; C227-D230 VanDerWaalsContact SG-CB 3.57Å; C227-D230 PolarHBondContact SG-N 3.19Å; C227-D230 VanDerWaalsContact SG-N 3.42Å; C227-D230 PolarHBondContact SG-OD2 2.84Å; C227-I231 PolarHBondContact O-N 3.45Å; C227-I231 VanDerWaalsContact O-N 3.15Å; C227-T666 CarbonylContact C-O 3.5Å; C227-T666 WeakPolarHBondContact CA-O 3.47Å; C227-T666 WeakPolarHBondContact CA-OG1 3.16Å; C227-T666 VanDerWaalsContact CB-O 3.32Å; C227-T666 WeakPolarHBondContact CB-O 3.35Å; C227-C669 HydrophobicContact CB-CB 4.08Å; C227-C669 WeakPolarHBondContact CB-SG 3.43Å; C227-C669 WeakPolarHBondContact SG-CB 3.38Å; C227-C669 CovalentContact SG-SG 2.04Å; C227-C669 PolarHBondContact SG-SG 3.17Å
228I89.7Confident74Confident5 Ų544.9 Ų44.93%0.02623%0.229CC..Hα-helixtrans-54.3-43.2176.2-67.7170.7000112.1I179 D230 I231 L232 A264 C269 L662 W665 T666I179-I228 HydrophobicContact CD1-CD1 4.03Å; I179-I228 HydrophobicContact CD1-CG1 4.36Å; I228-D230 VanDerWaalsContact C-N 3.35Å; I228-D230 PolarHBondContact O-N 3.31Å; I228-I231 PolarHBondContact O-N 2.92Å; I228-I231 VanDerWaalsContact O-N 3.14Å; I228-L232 HydrophobicContact CG2-CD1 4.11Å; I228-L232 PolarHBondContact O-N 3.25Å; I228-A264 HydrophobicContact CD1-CB 3.39Å; I228-C269 HydrophobicContact CG2-CB 3.94Å; I228-L662 HydrophobicContact CD1-CD1 4.46Å; I228-W665 HydrophobicContact CD1-CB 3.78Å; I228-W665 HydrophobicContact CD1-CG 3.99Å; I228-W665 HydrophobicContact CG1-CB 4.19Å; I228-W665 HydrophobicContact CG1-CE3 4.45Å; I228-W665 HydrophobicContact CG1-CG 4.43Å; I228-T666 PolarHBondContact N-O 3.33Å
229P85.8Confident75.6Confident0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-55.2-39.9171.8-30.136.5000115.2C227 I231 L232 A233 I559 I561C227-P229 VanDerWaalsContact C-N 3.34Å; P229-I231 VanDerWaalsContact C-N 3.3Å; P229-I231 PolarHBondContact O-N 3.31Å; P229-L232 PolarHBondContact O-N 3.39Å; P229-A233 WeakPolarHBondContact O-CB 3.28Å; P229-A233 PolarHBondContact O-N 2.84Å; P229-I559 HydrophobicContact CB-CD1 4.06Å; P229-I559 HydrophobicContact CB-CG2 4.24Å; P229-I559 VanDerWaalsContact O-CD1 3.31Å; P229-I559 WeakPolarHBondContact O-CD1 3.4Å; P229-I561 HydrophobicContact CG-CD1 3.49Å; P229-I561 VanDerWaalsContact CG-CD1 3.49Å; P229-I561 HydrophobicContact CG-CG1 4.19Å
230D84.2Confident77.2Confident27 Ų2739.3 Ų39.314%0.14419%0.189CC..Hα-helixtrans-72.3-26.2178.6-74.6-11.8000112.1K226 C227 I228 E234K226-D230 HydrophobicContact CB-CB 4.08Å; K226-D230 HydrophobicContact CD-CB 4.32Å; K226-D230 HydrophobicContact CG-CB 4.19Å; C227-D230 PolarHBondContact O-N 2.76Å; C227-D230 VanDerWaalsContact SG-CB 3.57Å; C227-D230 PolarHBondContact SG-N 3.19Å; C227-D230 VanDerWaalsContact SG-N 3.42Å; C227-D230 PolarHBondContact SG-OD2 2.84Å; I228-D230 VanDerWaalsContact C-N 3.35Å; I228-D230 PolarHBondContact O-N 3.31Å; D230-E234 VanDerWaalsContact O-CB 3.29Å; D230-E234 WeakPolarHBondContact O-CB 3.33Å; D230-E234 PolarHBondContact O-N 3.42Å; D230-E234 VanDerWaalsContact O-N 3.14Å
231I89.8Confident78.7Confident3 Ų337.5 Ų37.52%0.01518%0.177CC..Hα-helixtrans-73.3-47172-65.3177.3000109.8L205 E208 L209 H212 K226 C227 I228 P229 A233 E234 I235L205-I231 HydrophobicContact CD2-CG2 4.31Å; E208-I231 HydrophobicContact CB-CG2 3.83Å; L209-I231 HydrophobicContact CD2-CD1 3.7Å; L209-I231 HydrophobicContact CD2-CG2 4.42Å; L209-I231 HydrophobicContact CG-CD1 4.46Å; L209-I231 HydrophobicContact CG-CG2 4.45Å; H212-I231 HydrophobicContact CB-CD1 4.31Å; K226-I231 HydrophobicContact CB-CD1 4.25Å; K226-I231 HydrophobicContact CB-CG1 3.78Å; K226-I231 HydrophobicContact CD-CG1 4.04Å; C227-I231 PolarHBondContact O-N 3.45Å; C227-I231 VanDerWaalsContact O-N 3.15Å; I228-I231 PolarHBondContact O-N 2.92Å; I228-I231 VanDerWaalsContact O-N 3.14Å; P229-I231 VanDerWaalsContact C-N 3.3Å; P229-I231 PolarHBondContact O-N 3.31Å; I231-A233 PolarHBondContact O-N 3.26Å; I231-E234 PolarHBondContact O-N 3.48Å; I231-I235 HydrophobicContact CG2-CD1 4.47Å; I231-I235 VanDerWaalsContact O-CG1 3.26Å; I231-I235 WeakPolarHBondContact O-CG1 3.28Å; I231-I235 PolarHBondContact O-N 3.07Å
232L90.7Very high80.6Confident3 Ų333.9 Ų33.92%0.01616%0.158CC..Hα-helixtrans-56.5-48.3174.4-74.1165.8000111.5L205 I228 P229 E234 I235 F236 V260 A262 C269 A271 I559L205-L232 HydrophobicContact CD2-CD2 4.02Å; I228-L232 HydrophobicContact CG2-CD1 4.11Å; I228-L232 PolarHBondContact O-N 3.25Å; P229-L232 PolarHBondContact O-N 3.39Å; L232-E234 PolarHBondContact O-N 3.05Å; L232-I235 PolarHBondContact O-N 3.43Å; L232-I235 VanDerWaalsContact O-N 3.09Å; L232-F236 WeakPolarHBondContact O-CD2 3.29Å; L232-F236 PolarHBondContact O-N 3.27Å; L232-F236 VanDerWaalsContact O-N 3.11Å; L232-V260 HydrophobicContact CD2-CG1 4.02Å; L232-A262 HydrophobicContact CD1-CB 4.47Å; L232-A262 HydrophobicContact CD2-CB 4.39Å; L232-C269 HydrophobicContact CD1-CB 3.61Å; L232-A271 HydrophobicContact CB-CB 3.9Å; L232-A271 HydrophobicContact CD1-CB 4.19Å; L232-A271 HydrophobicContact CD2-CB 4.31Å; L232-A271 HydrophobicContact CG-CB 4.37Å; L232-I559 HydrophobicContact CB-CD1 4.39Å
233A83.6Confident82.6Confident0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-64.7-38.1-179.900000112.9P229 I231 I235 F236 H237 P557 I559 V678P229-A233 WeakPolarHBondContact O-CB 3.28Å; P229-A233 PolarHBondContact O-N 2.84Å; I231-A233 PolarHBondContact O-N 3.26Å; A233-I235 VanDerWaalsContact C-N 3.33Å; A233-I235 PolarHBondContact O-N 3.26Å; A233-F236 PolarHBondContact O-N 3.46Å; A233-H237 PolarHBondContact O-N 3.5Å; A233-H237 VanDerWaalsContact O-N 3.11Å; A233-P557 HydrophobicContact CB-CG 4.18Å; A233-I559 HydrophobicContact CB-CD1 4.12Å; A233-V678 HydrophobicContact CB-CG1 3.65Å
234E85Confident84.4Confident6 Ų622.1 Ų22.13%0.02811%0.11CC..Hα-helixtrans-61.9-38.9170.9-177.277.5-13300112K226 D230 I231 L232 H237 R238K226-E234 VanDerWaalsContact NZ-CB 3.31Å; K226-E234 VanDerWaalsContact NZ-CD 3.34Å; K226-E234 VanDerWaalsContact NZ-CG 3.26Å; K226-E234 IonicContact NZ-OE2 3.77Å; K226-E234 PolarHBondContact NZ-OE2 2.96Å; D230-E234 VanDerWaalsContact O-CB 3.29Å; D230-E234 WeakPolarHBondContact O-CB 3.33Å; D230-E234 PolarHBondContact O-N 3.42Å; D230-E234 VanDerWaalsContact O-N 3.14Å; I231-E234 PolarHBondContact O-N 3.48Å; L232-E234 PolarHBondContact O-N 3.05Å; E234-H237 WeakPolarHBondContact O-CB 3.47Å; E234-H237 PolarHBondContact O-N 2.93Å; E234-R238 HydrophobicContact CG-CG 4.39Å; E234-R238 WeakPolarHBondContact O-CB 3.36Å; E234-R238 WeakPolarHBondContact O-CG 3.46Å; E234-R238 PolarHBondContact O-N 2.93Å
235I91.6Very high85.9Confident2 Ų221.9 Ų21.91%0.0111%0.113CC..Hα-helixtrans-65-45178.9-61.3-22000110.5T201 L204 L205 E208 I231 L232 A233 H237 R238 L239T201-I235 HydrophobicContact CG2-CG2 4.14Å; L204-I235 HydrophobicContact CB-CD1 3.94Å; L204-I235 HydrophobicContact CB-CG1 4.29Å; L204-I235 HydrophobicContact CB-CG2 3.98Å; L204-I235 HydrophobicContact CD1-CG2 4.18Å; L205-I235 HydrophobicContact CD2-CB 4.36Å; L205-I235 HydrophobicContact CD2-CG1 3.48Å; L205-I235 VanDerWaalsContact CD2-CG1 3.48Å; L205-I235 HydrophobicContact CG-CG1 3.84Å; L205-I235 HydrophobicContact CG-CG2 4.46Å; E208-I235 HydrophobicContact CB-CD1 4.02Å; E208-I235 HydrophobicContact CG-CD1 3.46Å; E208-I235 VanDerWaalsContact CG-CD1 3.46Å; I231-I235 HydrophobicContact CG2-CD1 4.47Å; I231-I235 VanDerWaalsContact O-CG1 3.26Å; I231-I235 WeakPolarHBondContact O-CG1 3.28Å; I231-I235 PolarHBondContact O-N 3.07Å; L232-I235 PolarHBondContact O-N 3.43Å; L232-I235 VanDerWaalsContact O-N 3.09Å; A233-I235 VanDerWaalsContact C-N 3.33Å; A233-I235 PolarHBondContact O-N 3.26Å; I235-H237 VanDerWaalsContact C-N 3.31Å; I235-H237 PolarHBondContact O-N 2.89Å; I235-R238 PolarHBondContact O-N 3.23Å; I235-L239 HydrophobicContact CG2-CD1 3.94Å; I235-L239 HydrophobicContact CG2-CG 4.06Å; I235-L239 WeakPolarHBondContact O-CB 3.32Å; I235-L239 VanDerWaalsContact O-CG 3.25Å; I235-L239 WeakPolarHBondContact O-CG 2.91Å; I235-L239 PolarHBondContact O-N 3.04Å
236F88.9Confident86.9Confident7 Ų719 Ų193%0.0319%0.093CC..Hα-helixtrans-59.5-41.9175.9-84.7-112.4000111.9L232 A233 L239 N240 A258 V260 A271 V273 I544 P557L232-F236 WeakPolarHBondContact O-CD2 3.29Å; L232-F236 PolarHBondContact O-N 3.27Å; L232-F236 VanDerWaalsContact O-N 3.11Å; A233-F236 PolarHBondContact O-N 3.46Å; F236-L239 PolarHBondContact O-N 2.67Å; F236-N240 WeakPolarHBondContact O-CB 3.45Å; F236-N240 PolarHBondContact O-N 2.99Å; F236-A258 HydrophobicContact CD1-CB 4.35Å; F236-A258 HydrophobicContact CE1-CB 3.52Å; F236-A258 WeakPolarHBondContact CE1-O 3.26Å; F236-A258 HydrophobicContact CZ-CB 3.82Å; F236-A258 WeakPolarHBondContact CZ-O 3.41Å; F236-V260 HydrophobicContact CE2-CB 4.21Å; F236-V260 HydrophobicContact CE2-CG2 3.98Å; F236-V260 HydrophobicContact CZ-CB 4.44Å; F236-V260 HydrophobicContact CZ-CG2 4.08Å; F236-A271 HydrophobicContact CD2-CB 4.39Å; F236-A271 HydrophobicContact CE2-CB 3.74Å; F236-A271 HydrophobicContact CZ-CB 4.15Å; F236-A271 WeakPolarHBondContact CZ-O 3.45Å; F236-V273 HydrophobicContact CD1-CB 4.32Å; F236-V273 HydrophobicContact CD1-CG2 3.64Å; F236-V273 HydrophobicContact CE1-CB 4.07Å; F236-V273 HydrophobicContact CE1-CG2 3.76Å; F236-I544 HydrophobicContact CD1-CD1 4.2Å; F236-P557 HydrophobicContact CB-CB 4.23Å; F236-P557 HydrophobicContact CB-CG 3.86Å; F236-P557 HydrophobicContact CD1-CB 3.61Å; F236-P557 HydrophobicContact CD1-CG 4.17Å; F236-P557 HydrophobicContact CD2-CB 4.23Å; F236-P557 HydrophobicContact CD2-CG 4.12Å; F236-P557 HydrophobicContact CE1-CB 3.88Å; F236-P557 HydrophobicContact CE2-CB 4.49Å; F236-P557 HydrophobicContact CG-CB 3.77Å; F236-P557 HydrophobicContact CG-CG 3.8Å; F236-P557 HydrophobicContact CZ-CB 4.32Å
237H83.7Confident87.2Confident53 Ų5320.1 Ų20.125%0.24510%0.097CC..Hα-helixtrans-59.2-48.4173.4179.965.1000112.4A233 E234 I235 N240 E241 V678A233-H237 PolarHBondContact O-N 3.5Å; A233-H237 VanDerWaalsContact O-N 3.11Å; E234-H237 WeakPolarHBondContact O-CB 3.47Å; E234-H237 PolarHBondContact O-N 2.93Å; I235-H237 VanDerWaalsContact C-N 3.31Å; I235-H237 PolarHBondContact O-N 2.89Å; H237-N240 PolarHBondContact O-N 2.98Å; H237-E241 PolarHBondContact O-N 3.32Å; H237-V678 HydrophobicContact CB-CG2 3.84Å
238R88.7Confident87.3Confident69 Ų6924 Ų2426%0.2613%0.13SC..Hα-helixtrans-69.2-32.4-180-69.5-174.367.2-164.4-8.1113.3L204 E208 E234 I235 S242L204-R238 HydrophobicContact CD1-CB 3.98Å; E208-R238 IonicContact OE1-CZ 3.5Å; E208-R238 IonicContact OE1-NH1 3.73Å; E208-R238 PolarHBondContact OE1-NH1 2.79Å; E234-R238 HydrophobicContact CG-CG 4.39Å; E234-R238 WeakPolarHBondContact O-CB 3.36Å; E234-R238 WeakPolarHBondContact O-CG 3.46Å; E234-R238 PolarHBondContact O-N 2.93Å; I235-R238 PolarHBondContact O-N 3.23Å; R238-S242 VanDerWaalsContact O-CB 3.27Å; R238-S242 WeakPolarHBondContact O-CB 3.27Å; R238-S242 PolarHBondContact O-N 3.14Å
239L91.5Very high87Confident0 Ų028.5 Ų28.50%015%0.151CC..Hα-helixtrans-62.9-47170.3-73.1172.5000110.2C197 L200 T201 L204 I235 F236 S242 V243 I544C197-L239 HydrophobicContact CB-CD2 4.32Å; L200-L239 HydrophobicContact CB-CD2 4Å; L200-L239 HydrophobicContact CD2-CD2 4.03Å; L200-L239 HydrophobicContact CG-CD2 3.98Å; T201-L239 WeakPolarHBondContact OG1-CD1 3.34Å; L204-L239 HydrophobicContact CD1-CD2 4Å; L204-L239 HydrophobicContact CD1-CG 4.2Å; I235-L239 HydrophobicContact CG2-CD1 3.94Å; I235-L239 HydrophobicContact CG2-CG 4.06Å; I235-L239 WeakPolarHBondContact O-CB 3.32Å; I235-L239 VanDerWaalsContact O-CG 3.25Å; I235-L239 WeakPolarHBondContact O-CG 2.91Å; I235-L239 PolarHBondContact O-N 3.04Å; F236-L239 PolarHBondContact O-N 2.67Å; L239-S242 WeakPolarHBondContact O-CA 3.48Å; L239-S242 VanDerWaalsContact O-CB 3.23Å; L239-S242 WeakPolarHBondContact O-CB 3.31Å; L239-S242 PolarHBondContact O-N 3.49Å; L239-S242 VanDerWaalsContact O-N 3.13Å; L239-V243 WeakPolarHBondContact O-CG2 3.46Å; L239-V243 PolarHBondContact O-N 3.12Å; L239-I544 HydrophobicContact CB-CD1 4.1Å; L239-I544 HydrophobicContact CB-CG2 4.4Å; L239-I544 HydrophobicContact CD1-CD1 4.01Å
240N86.6Confident87Confident11 Ų1137.4 Ų37.46%0.05919%0.189CC..Hα-helixtrans-64-43.7179.6-15931.9000112.1F236 H237 S242 V243 N244 I544 G545 D547F236-N240 WeakPolarHBondContact O-CB 3.45Å; F236-N240 PolarHBondContact O-N 2.99Å; H237-N240 PolarHBondContact O-N 2.98Å; N240-S242 VanDerWaalsContact C-N 3.27Å; N240-S242 PolarHBondContact O-N 2.71Å; N240-V243 PolarHBondContact O-N 3.39Å; N240-N244 WeakPolarHBondContact O-CB 3.27Å; N240-N244 VanDerWaalsContact O-CG 3.26Å; N240-N244 PolarHBondContact O-N 3.29Å; N240-N244 PolarHBondContact O-ND2 2.76Å; N240-I544 HydrophobicContact CB-CG2 4.08Å; N240-G545 PolarHBondContact OD1-N 2.77Å; N240-D547 PolarHBondContact ND2-OD1 3.08Å; N240-D547 PolarHBondContact ND2-OD2 3.14Å
241E85.5Confident86.9Confident114 Ų11438.8 Ų38.853%0.53320%0.197SC..Hα-helixtrans-56.3-41.3170.8-168.8-159.6169.500112.1H237 S245H237-E241 PolarHBondContact O-N 3.32Å; E241-S245 WeakPolarHBondContact O-CB 3.37Å; E241-S245 PolarHBondContact O-N 3.42Å; E241-S245 PolarHBondContact O-OG 3.48Å
242S90.4Very high86.8Confident4 Ų439.2 Ų39.23%0.02820%0.198CC..Hα-helixtrans-65.6-44.3178.2-161.70000112.4Y44 H196 L200 R238 L239 N240 S245 G246Y44-S242 WeakPolarHBondContact CE1-OG 3.12Å; Y44-S242 PolarHBondContact OH-OG 2.79Å; H196-S242 PolarHBondContact NE2-OG 2.98Å; L200-S242 WeakPolarHBondContact CD2-OG 3.33Å; R238-S242 VanDerWaalsContact O-CB 3.27Å; R238-S242 WeakPolarHBondContact O-CB 3.27Å; R238-S242 PolarHBondContact O-N 3.14Å; L239-S242 WeakPolarHBondContact O-CA 3.48Å; L239-S242 VanDerWaalsContact O-CB 3.23Å; L239-S242 WeakPolarHBondContact O-CB 3.31Å; L239-S242 PolarHBondContact O-N 3.49Å; L239-S242 VanDerWaalsContact O-N 3.13Å; N240-S242 VanDerWaalsContact C-N 3.27Å; N240-S242 PolarHBondContact O-N 2.71Å; S242-S245 WeakPolarHBondContact O-CB 3.28Å; S242-S245 PolarHBondContact O-N 2.83Å; S242-G246 PolarHBondContact O-N 3.33Å
243V89.1Confident86.5Confident0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-66.6-46.2178.1168.70000111.1V193 L239 N240 S245 G246 R247 W252 I544V193-V243 HydrophobicContact CG1-CB 4.4Å; V193-V243 HydrophobicContact CG1-CG1 3.81Å; V193-V243 HydrophobicContact CG1-CG2 3.62Å; V193-V243 HydrophobicContact CG2-CG1 3.83Å; V193-V243 HydrophobicContact CG2-CG2 4.48Å; L239-V243 WeakPolarHBondContact O-CG2 3.46Å; L239-V243 PolarHBondContact O-N 3.12Å; N240-V243 PolarHBondContact O-N 3.39Å; V243-S245 VanDerWaalsContact C-N 3.33Å; V243-S245 PolarHBondContact O-N 2.92Å; V243-G246 PolarHBondContact O-N 2.85Å; V243-G246 VanDerWaalsContact O-N 3.13Å; V243-R247 PolarHBondContact O-N 3.07Å; V243-W252 PolarHBondContact O-NE1 2.99Å; V243-I544 HydrophobicContact CB-CG2 4.18Å; V243-I544 HydrophobicContact CG2-CG2 3.85Å
244N84.9Confident86.7Confident49 Ų4944 Ų4426%0.26222%0.224SC..Hα-helixtrans-60.3-41174.2-73-27.2000111.9N240 G246 R247 A248 D547N240-N244 WeakPolarHBondContact O-CB 3.27Å; N240-N244 VanDerWaalsContact O-CG 3.26Å; N240-N244 PolarHBondContact O-N 3.29Å; N240-N244 PolarHBondContact O-ND2 2.76Å; N244-G246 VanDerWaalsContact C-N 3.34Å; N244-G246 PolarHBondContact O-N 2.94Å; N244-R247 PolarHBondContact O-N 3.3Å; N244-A248 WeakPolarHBondContact O-CB 2.99Å; N244-A248 PolarHBondContact O-N 2.89Å; N244-D547 PolarHBondContact ND2-OD2 2.86Å
245S86.2Confident86.9Confident30 Ų3043.8 Ų43.821%0.2122%0.223CC..Hα-helixtrans-58.9-43.9173-66.20000112R43 E241 S242 V243 Q249R43-S245 PolarHBondContact NH2-OG 3.47Å; E241-S245 WeakPolarHBondContact O-CB 3.37Å; E241-S245 PolarHBondContact O-N 3.42Å; E241-S245 PolarHBondContact O-OG 3.48Å; S242-S245 WeakPolarHBondContact O-CB 3.28Å; S242-S245 PolarHBondContact O-N 2.83Å; V243-S245 VanDerWaalsContact C-N 3.33Å; V243-S245 PolarHBondContact O-N 2.92Å; S245-Q249 VanDerWaalsContact O-CG 3.3Å; S245-Q249 WeakPolarHBondContact O-CG 3.17Å; S245-Q249 PolarHBondContact O-N 2.98Å; S245-Q249 VanDerWaalsContact O-N 3.13Å
246G86.5Confident86.8Confident3 Ų343.7 Ų43.73%0.03122%0.222CC..Hα-helixtrans-68.7-38177.800000113.4S242 V243 N244 Q249 K250 L251S242-G246 PolarHBondContact O-N 3.33Å; V243-G246 PolarHBondContact O-N 2.85Å; V243-G246 VanDerWaalsContact O-N 3.13Å; N244-G246 VanDerWaalsContact C-N 3.34Å; N244-G246 PolarHBondContact O-N 2.94Å; G246-Q249 CarbonylContact O-C 3.59Å; G246-Q249 PolarHBondContact O-N 2.81Å; G246-K250 PolarHBondContact O-N 2.95Å; G246-K250 VanDerWaalsContact O-N 3.11Å; G246-L251 WeakPolarHBondContact O-CB 3.17Å; G246-L251 PolarHBondContact O-N 2.89Å
247R84.3Confident86.9Confident34 Ų3443.4 Ų43.413%0.12822%0.221CC..Hα-helixtrans-64.3-44.1173.6-173.7-179.7-70.3174.15.7111.5V243 N244 Q249 K250 S254 G545 E548V243-R247 PolarHBondContact O-N 3.07Å; N244-R247 PolarHBondContact O-N 3.3Å; R247-Q249 PolarHBondContact O-N 2.97Å; R247-K250 WeakPolarHBondContact O-CA 3.24Å; R247-K250 PolarHBondContact O-N 3.3Å; R247-S254 PolarHBondContact NH2-O 3.21Å; R247-G545 PolarHBondContact NH1-O 3.02Å; R247-G545 PolarHBondContact NH2-O 2.93Å; R247-E548 IonicContact NH1-OE1 3.42Å
248A85.8Confident87.4Confident85 Ų8540.9 Ų40.970%0.70221%0.209SC*.Hα-helixtrans-60.5-31.517400000112.7N244 K250N244-A248 WeakPolarHBondContact O-CB 2.99Å; N244-A248 PolarHBondContact O-N 2.89Å; A248-K250 VanDerWaalsContact C-N 3.3Å
249Q84.4Confident87.6Confident99 Ų9937.6 Ų37.646%0.46320%0.197SC..THydrogen-bonded Turntrans-84.33.1173-68.3172.332.800113.8S245 G246 R247 L251S245-Q249 VanDerWaalsContact O-CG 3.3Å; S245-Q249 WeakPolarHBondContact O-CG 3.17Å; S245-Q249 PolarHBondContact O-N 2.98Å; S245-Q249 VanDerWaalsContact O-N 3.13Å; G246-Q249 CarbonylContact O-C 3.59Å; G246-Q249 PolarHBondContact O-N 2.81Å; R247-Q249 PolarHBondContact O-N 2.97Å; Q249-L251 HydrophobicContact CB-CD1 4.4Å; Q249-L251 HydrophobicContact CB-CG 4Å; Q249-L251 PolarHBondContact O-N 3.06Å
250K85.2Confident87.9Confident186 Ų18637.7 Ų37.781%0.80920%0.197SC*.THydrogen-bonded Turntrans57.130.2-177.4-54.8-178.8179.6-178.80114.2G246 R247 A248G246-K250 PolarHBondContact O-N 2.95Å; G246-K250 VanDerWaalsContact O-N 3.11Å; R247-K250 WeakPolarHBondContact O-CA 3.24Å; R247-K250 PolarHBondContact O-N 3.3Å; A248-K250 VanDerWaalsContact C-N 3.3Å
251L82.7Confident88.4Confident57 Ų5737.1 Ų37.130%0.29820%0.195SC..SBendtrans-73.6-31.2174.7-59-179.2000112P41 G246 Q249P41-L251 HydrophobicContact CG-CD1 4.2Å; G246-L251 WeakPolarHBondContact O-CB 3.17Å; G246-L251 PolarHBondContact O-N 2.89Å; Q249-L251 HydrophobicContact CB-CD1 4.4Å; Q249-L251 HydrophobicContact CB-CG 4Å; Q249-L251 PolarHBondContact O-N 3.06Å
252W87.2Confident89Confident11 Ų1131.8 Ų31.84%0.04217%0.17CC..  trans-160.5153.8-178.544.171.5000111.9V37 E192 V193 H196 V243V37-W252 HydrophobicContact CG1-CZ3 3.94Å; V37-W252 HydrophobicContact CG2-CE3 4.1Å; V37-W252 HydrophobicContact CG2-CZ3 4Å; E192-W252 HydrophobicContact CB-CB 3.63Å; E192-W252 HydrophobicContact CB-CD2 4.42Å; E192-W252 HydrophobicContact CB-CE3 4.18Å; E192-W252 HydrophobicContact CB-CG 4.26Å; E192-W252 HydrophobicContact CG-CB 4.18Å; V193-W252 HydrophobicContact CG2-CB 4.34Å; V193-W252 VanDerWaalsContact CG2-CD1 3.4Å; V193-W252 HydrophobicContact CG2-CD2 4.33Å; V193-W252 HydrophobicContact CG2-CG 3.79Å; H196-W252 HydrophobicContact CB-CH2 4.23Å; H196-W252 AromaticContact CG-CH2 3.8Å; H196-W252 AromaticContact ND1-CH2 3.8Å; V243-W252 PolarHBondContact O-NE1 2.99Å
253N84.8Confident89.2Confident104 Ų10432 Ų3256%0.55617%0.17SC*.  trans-119.17.7173.4-71.5-19.6000112.5R734N253-R734 PolarHBondContact O-NH1 2.92Å
254S87.8Confident89.3Confident1 Ų132 Ų321%0.00717%0.17CC..  trans-77.6174.6177.830.40000112.6H188 G190 E192 V193 R247H188-S254 VanDerWaalsContact O-CA 3.31Å; H188-S254 WeakPolarHBondContact O-CA 3.48Å; H188-S254 WeakPolarHBondContact O-CB 3.45Å; G190-S254 WeakPolarHBondContact O-CB 3.01Å; E192-S254 WeakPolarHBondContact OE2-CB 3.21Å; E192-S254 PolarHBondContact OE2-OG 3.37Å; V193-S254 WeakPolarHBondContact CG2-O 3.49Å; R247-S254 PolarHBondContact NH2-O 3.21Å
255G88.2Confident89.5Confident0 Ų030.1 Ų30.10%016%0.163CC..EExtended strand (participates in β ladder)trans-141176.4170.900000109.3H188 I544H188-G255 PolarHBondContact CD2-N 2.91Å; H188-G255 PolarHBondContact N-O 2.86Å; H188-G255 WeakPolarHBondContact NE2-CA 3.26Å; H188-G255 PolarHBondContact O-N 2.82Å; H188-G255 VanDerWaalsContact O-N 3.14Å; G255-I544 WeakPolarHBondContact CA-O 3.45Å
256T90.8Very high89.8Confident0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-157.2142.6178.2-162.50000113.3F185 D186 V193 A194 C197 S543 I544F185-T256 HydrophobicContact CD1-CG2 4.24Å; D186-T256 VanDerWaalsContact C-OG1 3.3Å; D186-T256 CarbonylContact O-C 3.46Å; D186-T256 WeakPolarHBondContact O-CA 3.37Å; D186-T256 WeakPolarHBondContact O-CB 3.4Å; D186-T256 PolarHBondContact O-OG1 2.89Å; V193-T256 HydrophobicContact CG1-CG2 3.59Å; A194-T256 WeakPolarHBondContact CA-OG1 3.42Å; A194-T256 VanDerWaalsContact CB-OG1 3.29Å; A194-T256 WeakPolarHBondContact CB-OG1 3.25Å; C197-T256 HydrophobicContact CB-CG2 4.3Å; T256-S543 PolarHBondContact N-OG 3.26Å; T256-S543 CarbonylContact O-C 3.56Å; T256-S543 WeakPolarHBondContact O-CA 3.16Å; T256-S543 VanDerWaalsContact O-CB 3.25Å; T256-S543 WeakPolarHBondContact O-CB 3.41Å; T256-I544 HydrophobicContact CG2-CB 4.18Å; T256-I544 PolarHBondContact N-O 3.39Å; T256-I544 PolarHBondContact O-N 3.15Å
257T91.3Very high90Very high1 Ų130.7 Ų30.71%0.00616%0.163CC..  trans-63.8164.2162.576.20000109.4F185 D186 V273 D275 S276F185-T257 WeakPolarHBondContact CA-O 3.37Å; F185-T257 WeakPolarHBondContact CD1-O 3.32Å; D186-T257 HydrophobicContact CB-CG2 3.79Å; D186-T257 WeakPolarHBondContact CB-OG1 3.36Å; D186-T257 PolarHBondContact N-OG1 2.83Å; D186-T257 PolarHBondContact O-N 2.84Å; T257-V273 CarbonylContact C-O 3.58Å; T257-V273 WeakPolarHBondContact CA-O 3.49Å; T257-V273 WeakPolarHBondContact CB-O 3.08Å; T257-D275 WeakPolarHBondContact CG2-OD1 3.48Å; T257-S276 WeakPolarHBondContact CB-OG 3.39Å; T257-S276 PolarHBondContact OG1-OG 2.9Å
258A92.9Very high90.5Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-148.8121.216800000109.1I184 F185 F236 W272 V273 I544I184-A258 WeakPolarHBondContact O-CA 3.48Å; F185-A258 HydrophobicContact CD1-CB 3.68Å; F185-A258 HydrophobicContact CE1-CB 3.53Å; F236-A258 HydrophobicContact CD1-CB 4.35Å; F236-A258 HydrophobicContact CE1-CB 3.52Å; F236-A258 WeakPolarHBondContact CE1-O 3.26Å; F236-A258 HydrophobicContact CZ-CB 3.82Å; F236-A258 WeakPolarHBondContact CZ-O 3.41Å; A258-W272 CarbonylContact O-C 3.44Å; A258-W272 WeakPolarHBondContact O-CA 3.47Å; A258-V273 PolarHBondContact N-O 3.46Å; A258-V273 PolarHBondContact O-N 3.35Å; A258-I544 HydrophobicContact CB-CD1 3.56Å; A258-I544 HydrophobicContact CB-CG1 4.26Å
259T94.5Very high90.9Very high1 Ų125 Ų251%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-125.5114.2173.9-63.30000108.1G183 I184 W272 S276 A278 T448 M590G183-T259 CarbonylContact C-O 3.48Å; G183-T259 VanDerWaalsContact CA-O 3.24Å; G183-T259 WeakPolarHBondContact CA-O 3.34Å; I184-T259 PolarHBondContact N-O 2.83Å; I184-T259 PolarHBondContact O-N 2.84Å; T259-W272 HydrophobicContact CG2-CB 4.08Å; T259-W272 WeakPolarHBondContact OG1-CB 3.23Å; T259-S276 PolarHBondContact OG1-O 3.14Å; T259-A278 HydrophobicContact CG2-CB 4.09Å; T259-T448 HydrophobicContact CG2-CG2 3.64Å; T259-M590 HydrophobicContact CG2-CE 4.15Å; T259-M590 WeakPolarHBondContact O-CE 3.41Å
260V97.2Very high91.2Very high1 Ų120.3 Ų20.31%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-124.5119.8-171.5178.90000109.8F152 F182 F185 T201 L205 L232 F236 T270 A271F152-V260 HydrophobicContact CE1-CG2 4.49Å; F152-V260 HydrophobicContact CZ-CG1 4.19Å; F182-V260 CarbonylContact O-C 3.58Å; F182-V260 WeakPolarHBondContact O-CA 3.39Å; F185-V260 HydrophobicContact CZ-CG2 4.21Å; T201-V260 HydrophobicContact CG2-CG2 4.32Å; L205-V260 HydrophobicContact CD1-CG1 4.45Å; L232-V260 HydrophobicContact CD2-CG1 4.02Å; F236-V260 HydrophobicContact CE2-CB 4.21Å; F236-V260 HydrophobicContact CE2-CG2 3.98Å; F236-V260 HydrophobicContact CZ-CB 4.44Å; F236-V260 HydrophobicContact CZ-CG2 4.08Å; V260-T270 CarbonylContact O-C 3.55Å; V260-T270 WeakPolarHBondContact O-CA 3.34Å; V260-A271 PolarHBondContact N-O 3.45Å; V260-A271 PolarHBondContact O-N 3.15Å
261C97.3Very high91.5Very high0 Ų011.4 Ų11.40%06%0.063CC..EExtended strand (participates in β ladder)trans-108.4119.1176.1-63.40000109.6A181 F182 T270 L588 M590A181-C261 WeakPolarHBondContact CA-O 3.45Å; F182-C261 PolarHBondContact N-O 2.94Å; F182-C261 PolarHBondContact O-N 2.75Å; C261-T270 PolarHBondContact SG-OG1 2.83Å; C261-L588 HydrophobicContact CB-CD2 3.84Å; C261-M590 HydrophobicContact CB-CE 4.05Å; C261-M590 HydrophobicContact CB-SD 3.83Å; C261-M590 VanDerWaalsContact SG-CE 3.57Å; C261-M590 VanDerWaalsContact SG-SD 3.65Å
262A96.7Very high91.8Very high2 Ų28.8 Ų8.82%0.0175%0.049CC..EExtended strand (participates in β ladder)trans-108.4122.5176.700000110.7I179 A180 A181 L232 I268 C269I179-A262 HydrophobicContact CG2-CB 4.25Å; A180-A262 CarbonylContact O-C 3.51Å; A180-A262 WeakPolarHBondContact O-CA 3.37Å; A181-A262 HydrophobicContact CB-CB 4.48Å; L232-A262 HydrophobicContact CD1-CB 4.47Å; L232-A262 HydrophobicContact CD2-CB 4.39Å; A262-I268 WeakPolarHBondContact O-CA 3.39Å; A262-C269 PolarHBondContact N-O 2.94Å; A262-C269 PolarHBondContact O-N 2.84Å
263F94.7Very high91.6Very high8 Ų89 Ų94%0.0355%0.051CC..EExtended strand (participates in β ladder)trans-93.9125.3174.4-72.7-108.3000109L133 I179 A180 F182 T267 I268 L588 I652 L654 W657L133-F263 HydrophobicContact CD1-CD1 4.3Å; L133-F263 HydrophobicContact CD1-CD2 4.4Å; L133-F263 HydrophobicContact CD1-CG 4.16Å; L133-F263 HydrophobicContact CD2-CD1 4.35Å; L133-F263 HydrophobicContact CD2-CE1 4.28Å; I179-F263 VanDerWaalsContact CA-O 3.32Å; I179-F263 WeakPolarHBondContact CA-O 3.33Å; A180-F263 HydrophobicContact CB-CB 4.32Å; A180-F263 PolarHBondContact N-O 2.88Å; A180-F263 VanDerWaalsContact N-O 3.14Å; A180-F263 PolarHBondContact O-N 3.26Å; F182-F263 AromaticContact CD2-CD2 3.95Å; F182-F263 HydrophobicContact CD2-CD2 3.95Å; F182-F263 AromaticContact CD2-CE2 3.82Å; F182-F263 HydrophobicContact CD2-CE2 3.82Å; F182-F263 AromaticContact CE2-CD2 3.69Å; F182-F263 HydrophobicContact CE2-CD2 3.69Å; F182-F263 AromaticContact CE2-CE2 3.67Å; F182-F263 HydrophobicContact CE2-CE2 3.67Å; F263-T267 WeakPolarHBondContact CA-O 3.49Å; F263-I268 HydrophobicContact CD1-CD1 4.17Å; F263-I268 HydrophobicContact CD1-CG1 3.78Å; F263-I268 HydrophobicContact CE1-CD1 3.49Å; F263-I268 VanDerWaalsContact CE1-CD1 3.49Å; F263-I268 HydrophobicContact CE1-CG1 3.63Å; F263-I268 HydrophobicContact CE2-CG2 4.44Å; F263-I268 HydrophobicContact CG-CG1 4.38Å; F263-I268 HydrophobicContact CZ-CD1 3.82Å; F263-I268 HydrophobicContact CZ-CG1 4.12Å; F263-I268 HydrophobicContact CZ-CG2 4.46Å; F263-L588 HydrophobicContact CE2-CD2 3.62Å; F263-L588 HydrophobicContact CZ-CB 4.39Å; F263-L588 HydrophobicContact CZ-CD2 3.65Å; F263-I652 HydrophobicContact CZ-CG2 4.48Å; F263-L654 HydrophobicContact CE1-CD1 4.09Å; F263-L654 HydrophobicContact CE1-CD2 3.54Å; F263-L654 HydrophobicContact CE1-CG 4.49Å; F263-L654 HydrophobicContact CZ-CD1 4.26Å; F263-L654 HydrophobicContact CZ-CD2 3.8Å; F263-W657 HydrophobicContact CD1-CD2 4.5Å; F263-W657 AromaticContact CD1-CH2 3.98Å; F263-W657 HydrophobicContact CD1-CH2 3.98Å; F263-W657 AromaticContact CD1-CZ2 3.86Å; F263-W657 HydrophobicContact CD1-CZ2 3.86Å; F263-W657 HydrophobicContact CD1-CZ3 4.35Å; F263-W657 HydrophobicContact CE1-CE3 4.32Å; F263-W657 HydrophobicContact CE1-CH2 4.2Å; F263-W657 HydrophobicContact CE1-CZ2 4.44Å; F263-W657 HydrophobicContact CE1-CZ3 4.13Å
264A91.4Very high91.4Very high0 Ų04.1 Ų4.10%03%0.025CC..EExtended strand (participates in β ladder)trans-138111.5175.400000109.6I179 I228 D266 T267 L662I179-A264 HydrophobicContact CD1-CB 4.44Å; I179-A264 HydrophobicContact CG1-CB 3.99Å; I228-A264 HydrophobicContact CD1-CB 3.39Å; A264-D266 PolarHBondContact O-N 3.01Å; A264-T267 PolarHBondContact N-O 3.26Å; A264-T267 PolarHBondContact O-N 3.33Å; A264-T267 PolarHBondContact O-OG1 2.89Å; A264-L662 HydrophobicContact CB-CD1 3.61Å; A264-L662 WeakPolarHBondContact O-CD1 3.5Å
265G90Very high91.1Very high10 Ų104.5 Ų4.510%0.1033%0.027CC..THydrogen-bonded Turntrans62.2-100.8-178.900000113.2W657 T660G265-W657 WeakPolarHBondContact O-CZ2 3.31Å; G265-T660 CarbonylContact C-O 2.91Å; G265-T660 WeakPolarHBondContact CA-O 3.45Å; G265-T660 PolarHBondContact O-N 2.97Å
266D91.4Very high91.2Very high39 Ų394.5 Ų4.521%0.2093%0.027CC..THydrogen-bonded Turntrans-1120.9179.846.7-2.6000113.1A264 A564 P659 T660 K661 L662A264-D266 PolarHBondContact O-N 3.01Å; D266-A564 HydrophobicContact CB-CB 4.18Å; D266-A564 WeakPolarHBondContact O-CB 3.21Å; D266-A564 PolarHBondContact O-N 3.35Å; D266-P659 HydrophobicContact CB-CB 3.8Å; D266-T660 PolarHBondContact N-O 2.92Å; D266-K661 WeakPolarHBondContact OD2-CA 3.43Å; D266-L662 WeakPolarHBondContact OD1-CB 3.43Å; D266-L662 PolarHBondContact OD1-N 3.42Å
267T92Very high91.1Very high5 Ų54.8 Ų4.83%0.0313%0.029CC..EExtended strand (participates in β ladder)trans-110.4147.1-17766.70000112.7F263 A264 W562 V667F263-T267 WeakPolarHBondContact CA-O 3.49Å; A264-T267 PolarHBondContact N-O 3.26Å; A264-T267 PolarHBondContact O-N 3.33Å; A264-T267 PolarHBondContact O-OG1 2.89Å; T267-W562 CarbonylContact C-O 3.49Å; T267-W562 VanDerWaalsContact CA-O 3.32Å; T267-W562 WeakPolarHBondContact CA-O 3.37Å; T267-V667 HydrophobicContact CG2-CG1 4.05Å
268I94.2Very high91.2Very high0 Ų04.8 Ų4.80%03%0.028CC..EExtended strand (participates in β ladder)trans-118.2111.4168-53.8175.3000106.9A262 F263 L280 L447 W562 L654 W657A262-I268 WeakPolarHBondContact O-CA 3.39Å; F263-I268 HydrophobicContact CD1-CD1 4.17Å; F263-I268 HydrophobicContact CD1-CG1 3.78Å; F263-I268 HydrophobicContact CE1-CD1 3.49Å; F263-I268 VanDerWaalsContact CE1-CD1 3.49Å; F263-I268 HydrophobicContact CE1-CG1 3.63Å; F263-I268 HydrophobicContact CE2-CG2 4.44Å; F263-I268 HydrophobicContact CG-CG1 4.38Å; F263-I268 HydrophobicContact CZ-CD1 3.82Å; F263-I268 HydrophobicContact CZ-CG1 4.12Å; F263-I268 HydrophobicContact CZ-CG2 4.46Å; I268-L280 HydrophobicContact CD1-CD1 3.91Å; I268-L280 HydrophobicContact CD1-CD2 4.36Å; I268-L447 HydrophobicContact CG2-CD1 4.07Å; I268-W562 HydrophobicContact CB-CB 4.42Å; I268-W562 HydrophobicContact CB-CE3 4.41Å; I268-W562 HydrophobicContact CD1-CE3 3.77Å; I268-W562 HydrophobicContact CD1-CZ3 4.13Å; I268-W562 HydrophobicContact CG1-CE3 3.9Å; I268-W562 HydrophobicContact CG1-CZ3 4.4Å; I268-W562 PolarHBondContact N-O 2.94Å; I268-W562 PolarHBondContact O-N 2.97Å; I268-L654 HydrophobicContact CD1-CD1 4.36Å; I268-W657 HydrophobicContact CD1-CH2 4.13Å; I268-W657 HydrophobicContact CD1-CZ3 3.99Å; I268-W657 HydrophobicContact CG1-CH2 3.87Å; I268-W657 HydrophobicContact CG1-CZ3 4.26Å
269C93.2Very high91.2Very high0 Ų06.4 Ų6.40%04%0.035CC..EExtended strand (participates in β ladder)trans-98.8114.3172.4-65.80000109I228 L232 A262 T560I228-C269 HydrophobicContact CG2-CB 3.94Å; L232-C269 HydrophobicContact CD1-CB 3.61Å; A262-C269 PolarHBondContact N-O 2.94Å; A262-C269 PolarHBondContact O-N 2.84Å; C269-T560 WeakPolarHBondContact CA-O 3.03Å
270T92.5Very high91.1Very high0 Ų06.3 Ų6.30%03%0.034CC..EExtended strand (participates in β ladder)trans-106.3123.7178.1-64.60000109.3V260 C261 W272 A278 L447 T448 I559 T560V260-T270 CarbonylContact O-C 3.55Å; V260-T270 WeakPolarHBondContact O-CA 3.34Å; C261-T270 PolarHBondContact SG-OG1 2.83Å; T270-W272 HydrophobicContact CG2-CE3 4.32Å; T270-A278 HydrophobicContact CG2-CB 4.38Å; T270-L447 HydrophobicContact CG2-CB 4.22Å; T270-T448 HydrophobicContact CG2-CG2 3.97Å; T270-I559 CarbonylContact O-C 3.59Å; T270-I559 WeakPolarHBondContact O-CA 3.4Å; T270-T560 WeakPolarHBondContact CB-OG1 3.26Å; T270-T560 PolarHBondContact N-O 3.25Å; T270-T560 PolarHBondContact O-N 3.27Å
271A90Very high90.8Very high0 Ų06.3 Ų6.30%03%0.034CC..EExtended strand (participates in β ladder)trans-116.2133.2173.400000110L232 F236 V260 P557 S558 I559L232-A271 HydrophobicContact CB-CB 3.9Å; L232-A271 HydrophobicContact CD1-CB 4.19Å; L232-A271 HydrophobicContact CD2-CB 4.31Å; L232-A271 HydrophobicContact CG-CB 4.37Å; F236-A271 HydrophobicContact CD2-CB 4.39Å; F236-A271 HydrophobicContact CE2-CB 3.74Å; F236-A271 HydrophobicContact CZ-CB 4.15Å; F236-A271 WeakPolarHBondContact CZ-O 3.45Å; V260-A271 PolarHBondContact N-O 3.45Å; V260-A271 PolarHBondContact O-N 3.15Å; A271-P557 HydrophobicContact CB-CB 4.4Å; A271-P557 HydrophobicContact CB-CG 4.48Å; A271-S558 CarbonylContact C-O 3.35Å; A271-S558 VanDerWaalsContact CA-O 3.25Å; A271-S558 WeakPolarHBondContact CA-O 3.21Å; A271-I559 HydrophobicContact CB-CD1 4.37Å; A271-I559 HydrophobicContact CB-CG1 3.9Å
272W89.6Confident90.4Very high1 Ų17.2 Ų7.20%0.0044%0.038CC..EExtended strand (participates in β ladder)trans-145.2154.5-17979.3109.3000116.6A258 T259 T270 T448 D449 H452 P557 S558 T560A258-W272 CarbonylContact O-C 3.44Å; A258-W272 WeakPolarHBondContact O-CA 3.47Å; T259-W272 HydrophobicContact CG2-CB 4.08Å; T259-W272 WeakPolarHBondContact OG1-CB 3.23Å; T270-W272 HydrophobicContact CG2-CE3 4.32Å; W272-T448 HydrophobicContact CB-CG2 3.93Å; W272-T448 HydrophobicContact CD2-CG2 3.7Å; W272-T448 HydrophobicContact CE3-CG2 4.1Å; W272-T448 HydrophobicContact CG-CG2 3.61Å; W272-D449 HydrophobicContact CZ2-CB 3.94Å; W272-H452 AromaticContact NE1-CD2 3.36Å; W272-H452 PolarHBondContact NE1-CD2 2.92Å; W272-H452 AromaticContact NE1-NE2 3.77Å; W272-P557 CarbonylContact O-C 3.6Å; W272-P557 WeakPolarHBondContact O-CA 3.33Å; W272-P557 WeakPolarHBondContact O-CB 3.33Å; W272-S558 VanDerWaalsContact CH2-CB 3.45Å; W272-S558 PolarHBondContact N-O 3.29Å; W272-S558 PolarHBondContact O-N 2.55Å; W272-T560 HydrophobicContact CH2-CG2 3.94Å; W272-T560 HydrophobicContact CZ3-CG2 3.88Å
273V83.3Confident89.8Confident16 Ų168.4 Ų8.410%0.0975%0.046CC..EExtended strand (participates in β ladder)trans-141.2124.6170.2173.80000107.6F236 T257 A258 R542 P557F236-V273 HydrophobicContact CD1-CB 4.32Å; F236-V273 HydrophobicContact CD1-CG2 3.64Å; F236-V273 HydrophobicContact CE1-CB 4.07Å; F236-V273 HydrophobicContact CE1-CG2 3.76Å; T257-V273 CarbonylContact C-O 3.58Å; T257-V273 WeakPolarHBondContact CA-O 3.49Å; T257-V273 WeakPolarHBondContact CB-O 3.08Å; A258-V273 PolarHBondContact N-O 3.46Å; A258-V273 PolarHBondContact O-N 3.35Å; V273-R542 HydrophobicContact CG1-CB 3.54Å; V273-R542 WeakPolarHBondContact CG1-O 3.45Å; V273-P557 HydrophobicContact CG2-CB 3.86Å
274G81.1Confident88.8Confident1 Ų110 Ų101%0.015%0.052CC..SBendtrans100.6-165.5-176.600000113.3H452 R542G274-H452 WeakPolarHBondContact O-CB 3.35Å; G274-R542 WeakPolarHBondContact CA-O 3.1Å; G274-R542 PolarHBondContact N-O 2.93Å
275D80.7Confident87.4Confident9 Ų912.7 Ų12.75%0.0487%0.068CC..SBendtrans-98.2-13.6-168.538.837.6000114.4T257 Q277 D593 S736 S737T257-D275 WeakPolarHBondContact CG2-OD1 3.48Å; D275-Q277 WeakPolarHBondContact O-CG 3.3Å; D275-Q277 PolarHBondContact O-N 3.04Å; D275-D593 HydrophobicContact CB-CB 4.47Å; D275-S736 VanDerWaalsContact OD2-CB 3.22Å; D275-S736 WeakPolarHBondContact OD2-CB 3.46Å; D275-S736 PolarHBondContact OD2-OG 3.42Å; D275-S737 PolarHBondContact OD2-OG 3.18Å
276S89.8Confident85.6Confident0 Ų015.1 Ų15.10%08%0.079CC..  trans-61.5124.5173.6-49.20000111.6D186 T257 T259 A591D186-S276 WeakPolarHBondContact CB-OG 3.35Å; T257-S276 WeakPolarHBondContact CB-OG 3.39Å; T257-S276 PolarHBondContact OG1-OG 2.9Å; T259-S276 PolarHBondContact OG1-O 3.14Å; S276-A591 CarbonylContact C-O 3.54Å; S276-A591 WeakPolarHBondContact CA-O 3.35Å; S276-A591 WeakPolarHBondContact CB-O 3.4Å
277Q90.2Very high83.5Confident7 Ų715.3 Ų15.33%0.0338%0.08CC..EExtended strand (participates in β ladder)trans-105.4159.6-167.2-50.4-164.8-24.600114.9D275 T448 M590 A591 W596D275-Q277 WeakPolarHBondContact O-CG 3.3Å; D275-Q277 PolarHBondContact O-N 3.04Å; Q277-T448 WeakPolarHBondContact CA-OG1 3.41Å; Q277-T448 VanDerWaalsContact CB-OG1 3.3Å; Q277-T448 WeakPolarHBondContact CB-OG1 3.42Å; Q277-M590 CarbonylContact O-C 3.58Å; Q277-M590 VanDerWaalsContact O-CA 3.3Å; Q277-M590 WeakPolarHBondContact O-CA 3.45Å; Q277-A591 PolarHBondContact N-O 2.87Å; Q277-A591 PolarHBondContact O-N 3.13Å; Q277-W596 HydrophobicContact CB-CD2 4.23Å; Q277-W596 HydrophobicContact CB-CG 4.42Å; Q277-W596 HydrophobicContact CB-CZ2 4.05Å; Q277-W596 HydrophobicContact CG-CG 4.24Å
278A93.3Very high81.3Confident0 Ų020.8 Ų20.80%011%0.108CC..EExtended strand (participates in β ladder)trans-130.9129.616800000111T259 T270 L447 T448 L588 I589 M590T259-A278 HydrophobicContact CG2-CB 4.09Å; T270-A278 HydrophobicContact CG2-CB 4.38Å; A278-L447 HydrophobicContact CB-CB 4.38Å; A278-L447 PolarHBondContact O-N 3.22Å; A278-T448 HydrophobicContact CB-CG2 3.99Å; A278-T448 PolarHBondContact N-OG1 2.8Å; A278-T448 PolarHBondContact O-N 3.23Å; A278-L588 HydrophobicContact CB-CD1 4.22Å; A278-I589 CarbonylContact C-O 3.59Å; A278-I589 VanDerWaalsContact CA-O 3.27Å; A278-I589 WeakPolarHBondContact CA-O 3.25Å; A278-M590 HydrophobicContact CB-CG 3.92Å
279W92.4Very high78.6Confident34 Ų3427.5 Ų27.513%0.12914%0.143CC..EExtended strand (participates in β ladder)trans-127127-176.7-79.577.5000111.1I445 A446 L588 I589 W596W279-I445 CarbonylContact C-O 3.5Å; W279-I445 WeakPolarHBondContact CA-O 3.45Å; W279-A446 HydrophobicContact CD2-CB 4.08Å; W279-A446 HydrophobicContact CE3-CB 4.36Å; W279-A446 HydrophobicContact CH2-CB 4.12Å; W279-A446 HydrophobicContact CZ2-CB 3.82Å; W279-A446 HydrophobicContact CZ3-CB 4.38Å; W279-L588 CarbonylContact O-C 3.46Å; W279-L588 WeakPolarHBondContact O-CA 3.37Å; W279-I589 PolarHBondContact N-O 2.94Å; W279-I589 PolarHBondContact O-N 3.39Å; W279-W596 HydrophobicContact CB-CH2 4.28Å; W279-W596 AromaticContact CD1-CH2 3.45Å; W279-W596 VanDerWaalsContact CD1-CH2 3.45Å; W279-W596 AromaticContact CD1-CZ2 3.96Å; W279-W596 AromaticContact CD1-CZ3 3.66Å; W279-W596 HydrophobicContact CG-CH2 4.04Å; W279-W596 HydrophobicContact CG-CZ3 4.23Å; W279-W596 AromaticContact NE1-CZ3 3.99Å
280L92.3Very high75.9Confident0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-98.1117.2176.7-170.368.2000109.5I268 F282 G444 I445 L447 W562 P585 L588 L654I268-L280 HydrophobicContact CD1-CD1 3.91Å; I268-L280 HydrophobicContact CD1-CD2 4.36Å; L280-F282 HydrophobicContact CB-CE2 4.31Å; L280-F282 HydrophobicContact CD2-CE2 4.03Å; L280-F282 HydrophobicContact CD2-CZ 3.7Å; L280-F282 HydrophobicContact CG-CE2 3.91Å; L280-F282 HydrophobicContact CG-CZ 3.98Å; L280-F282 WeakPolarHBondContact O-CE2 3.17Å; L280-G444 CarbonylContact O-C 3.6Å; L280-G444 VanDerWaalsContact O-CA 3.29Å; L280-G444 WeakPolarHBondContact O-CA 3.49Å; L280-I445 PolarHBondContact N-O 2.87Å; L280-I445 PolarHBondContact O-N 3.35Å; L280-L447 HydrophobicContact CB-CD1 4.12Å; L280-L447 HydrophobicContact CB-CD2 4.1Å; L280-L447 HydrophobicContact CB-CG 3.99Å; L280-L447 HydrophobicContact CD2-CD2 4.41Å; L280-W562 HydrophobicContact CD2-CD2 3.56Å; L280-W562 VanDerWaalsContact CD2-CE2 3.47Å; L280-W562 HydrophobicContact CD2-CE3 4.2Å; L280-W562 HydrophobicContact CD2-CG 3.72Å; L280-W562 HydrophobicContact CD2-CZ2 4.04Å; L280-P585 HydrophobicContact CD1-CB 3.53Å; L280-P585 HydrophobicContact CD1-CG 3.94Å; L280-P585 HydrophobicContact CD2-CB 4.13Å; L280-P585 HydrophobicContact CD2-CG 4.36Å; L280-P585 HydrophobicContact CG-CB 3.68Å; L280-P585 HydrophobicContact CG-CG 4.33Å; L280-L588 HydrophobicContact CD1-CB 4.15Å; L280-L654 HydrophobicContact CD1-CD1 3.59Å
281I91.5Very high73.2Confident0 Ų042.1 Ų42.10%022%0.222CC..EExtended strand (participates in β ladder)trans-106.1143.3-169.7-60.3170.2000109.7L443 P585 L586 C587 I589 I606 A610I281-L443 CarbonylContact C-O 3.54Å; I281-L443 WeakPolarHBondContact CA-O 3.18Å; I281-P585 CarbonylContact O-C 3.57Å; I281-P585 VanDerWaalsContact O-CA 3.3Å; I281-P585 WeakPolarHBondContact O-CA 3.14Å; I281-P585 WeakPolarHBondContact O-CB 3.46Å; I281-L586 HydrophobicContact CG2-CD2 4.38Å; I281-L586 PolarHBondContact O-N 2.84Å; I281-C587 PolarHBondContact N-O 3.28Å; I281-C587 PolarHBondContact O-N 3.3Å; I281-I589 HydrophobicContact CD1-CB 4.48Å; I281-I589 HydrophobicContact CD1-CD1 3.35Å; I281-I589 HydrophobicContact CD1-CG1 3.71Å; I281-I606 HydrophobicContact CD1-CG2 4.4Å; I281-A610 HydrophobicContact CD1-CB 3.78Å; I281-A610 HydrophobicContact CG2-CB 4.15Å
282F88.7Confident70.6Confident20 Ų2045.8 Ų45.89%0.08826%0.26CS..  trans-120.4152.1-176.6-65.3-94.3000110.7L280 L443 I445 W562 S583 P585L280-F282 HydrophobicContact CB-CE2 4.31Å; L280-F282 HydrophobicContact CD2-CE2 4.03Å; L280-F282 HydrophobicContact CD2-CZ 3.7Å; L280-F282 HydrophobicContact CG-CE2 3.91Å; L280-F282 HydrophobicContact CG-CZ 3.98Å; L280-F282 WeakPolarHBondContact O-CE2 3.17Å; F282-L443 PolarHBondContact N-O 2.98Å; F282-I445 HydrophobicContact CD2-CD1 4.3Å; F282-I445 HydrophobicContact CD2-CG1 4.31Å; F282-I445 HydrophobicContact CE2-CB 4.41Å; F282-I445 HydrophobicContact CE2-CD1 3.35Å; F282-I445 HydrophobicContact CE2-CG1 3.68Å; F282-I445 HydrophobicContact CZ-CD1 3.7Å; F282-W562 HydrophobicContact CE1-CZ2 4.21Å; F282-W562 HydrophobicContact CZ-CZ2 4.14Å; F282-W562 AromaticContact CZ-NE1 3.92Å; F282-S583 WeakPolarHBondContact CD1-O 3.22Å; F282-S583 VanDerWaalsContact CE1-O 3.26Å; F282-S583 WeakPolarHBondContact CE1-O 3.42Å; F282-P585 HydrophobicContact CD1-CB 4.27Å; F282-P585 HydrophobicContact CE1-CB 3.91Å; F282-P585 HydrophobicContact CZ-CB 4.07Å
283P83.3Confident67.8Low27 Ų2753.4 Ų53.418%0.17530%0.299CS..  trans-68.8139.7174.230.3-35.6000111T285 S583 M584 W611P283-T285 PolarHBondContact O-N 3.02Å; P283-S583 VanDerWaalsContact CG-OG 3.24Å; P283-S583 WeakPolarHBondContact CG-OG 3.33Å; P283-M584 WeakPolarHBondContact CD-O 3.3Å; P283-W611 HydrophobicContact CB-CE3 3.83Å; P283-W611 HydrophobicContact CB-CH2 3.76Å; P283-W611 HydrophobicContact CB-CZ3 3.32Å
284Y74.9Confident65.4Low42 Ų4257.5 Ų57.517%0.16532%0.319CS..  trans-70.5124.4176.6-172.4-130.7000110.8N286 L443 W611Y284-N286 HydrophobicContact CD1-CB 4.43Å; Y284-N286 HydrophobicContact CE1-CB 3.82Å; Y284-N286 HydrophobicContact CE2-CB 4.33Å; Y284-N286 PolarHBondContact OH-ND2 2.89Å; Y284-N286 VanDerWaalsContact OH-ND2 3.14Å; Y284-L443 HydrophobicContact CD2-CD1 3.38Å; Y284-L443 HydrophobicContact CD2-CG 4.33Å; Y284-L443 HydrophobicContact CE2-CD1 4.08Å; Y284-L443 HydrophobicContact CG-CD1 3.94Å; Y284-W611 WeakPolarHBondContact O-CZ2 3.31Å
285T61.9Low63Low55 Ų5564.5 Ų64.534%0.33736%0.356SS..G310 helixtrans-81.4-24.4-169.5520000114.2P283 D287 I288 R580P283-T285 PolarHBondContact O-N 3.02Å; T285-D287 PolarHBondContact O-N 3.35Å; T285-D287 VanDerWaalsContact O-N 3.16Å; T285-I288 PolarHBondContact O-N 2.83Å; T285-R580 PolarHBondContact OG1-NH1 2.72Å
286N52.1Low61Low62 Ų6267.3 Ų67.333%0.33237%0.369SS..G310 helixtrans-76-1.7-173.6-58.6-31.2000114Y284 E441 R580Y284-N286 HydrophobicContact CD1-CB 4.43Å; Y284-N286 HydrophobicContact CE1-CB 3.82Å; Y284-N286 HydrophobicContact CE2-CB 4.33Å; Y284-N286 PolarHBondContact OH-ND2 2.89Å; Y284-N286 VanDerWaalsContact OH-ND2 3.14Å; N286-E441 PolarHBondContact ND2-OE2 3.43Å; N286-E441 VanDerWaalsContact ND2-OE2 3.11Å; N286-R580 PolarHBondContact OD1-NH1 2.94Å
287D47.4Very low58.4Low42 Ų4272.2 Ų72.223%0.22540%0.395CS..G310 helixtrans-97.62.1176-80.6-36.3000114T285 H296 W611 K615T285-D287 PolarHBondContact O-N 3.35Å; T285-D287 VanDerWaalsContact O-N 3.16Å; D287-H296 IonicContact OD1-CD2 3.09Å; D287-H296 IonicContact OD1-CE1 3.3Å; D287-H296 PolarHBondContact OD1-CE1 3.11Å; D287-H296 IonicContact OD1-NE2 2.77Å; D287-H296 PolarHBondContact OD1-NE2 2.9Å; D287-H296 IonicContact OD2-NE2 2.67Å; D287-W611 HydrophobicContact CB-CZ2 4.29Å; D287-W611 PolarHBondContact OD2-NE1 2.98Å; D287-K615 VanDerWaalsContact CB-NZ 3.3Å; D287-K615 IonicContact OD1-NZ 2.92Å; D287-K615 IonicContact OD2-NZ 2.7Å; D287-K615 PolarHBondContact OD2-NZ 3.13Å
288I45.7Very low55.8Low121 Ų12177.9 Ų77.962%0.62143%0.426SS*.  trans-103.532.2-174.3-38.1-178.7000111.9T285T285-I288 PolarHBondContact O-N 2.83Å
289N37.7Very low53.1Low140 Ų14083.2 Ų83.275%0.74945%0.453SS*.SBendtrans-85.2138.8163.7-70.9-24.3000109
290D34.9Very low50.5Low154 Ų15485.6 Ų85.682%0.82447%0.468SS*.THydrogen-bonded Turntrans-54.4161.1172.5-69.2-59.1000111.7
291D36.6Very low47.7Very low154 Ų15490.6 Ų90.682%0.82449%0.49SS*.THydrogen-bonded Turntrans87.2-1176.5-54.7-22.9000119.4I293D291-I293 VanDerWaalsContact C-N 3.27Å; D291-I293 PolarHBondContact O-N 3.28Å
292G34.7Very low44.9Very low77 Ų7796.5 Ų96.579%0.79452%0.521SS*.  trans64.513.6152.800000118.6
293I31.6Very low42.2Very low161 Ų161102.2 Ų102.283%0.82655%0.553SS**  trans-97.4105.8176.1-64.3170.6000109.5D291D291-I293 VanDerWaalsContact C-N 3.27Å; D291-I293 PolarHBondContact O-N 3.28Å
294I33.6Very low39.9Very low102 Ų102107.6 Ų107.652%0.52357%0.573SS.*  trans-83.5132.6178.8-80.8162.6000111.2H296I294-H296 HydrophobicContact CG2-CB 3.69Å; I294-H296 WeakPolarHBondContact CG2-CD2 3.13Å
295N30.8Very low37.7Very low147 Ų147110 Ų11079%0.78659%0.589SS**  trans-116.447.7178.2-152.68.9000112.6N297N295-N297 PolarHBondContact O-N 3.22Å
296H38.2Very low36.1Very low68 Ų68112.7 Ų112.732%0.31561%0.609SS.*  trans-88.216.6-168.7-81.2-36.9000116.5D287 I294 N298D287-H296 IonicContact OD1-CD2 3.09Å; D287-H296 IonicContact OD1-CE1 3.3Å; D287-H296 PolarHBondContact OD1-CE1 3.11Å; D287-H296 IonicContact OD1-NE2 2.77Å; D287-H296 PolarHBondContact OD1-NE2 2.9Å; D287-H296 IonicContact OD2-NE2 2.67Å; I294-H296 HydrophobicContact CG2-CB 3.69Å; I294-H296 WeakPolarHBondContact CG2-CD2 3.13Å; H296-N298 PolarHBondContact O-N 2.93Å
297N34.6Very low34.9Very low103 Ų103114.7 Ų114.755%0.55163%0.627SS**THydrogen-bonded Turntrans-76.2-13.7-170-88-42.5000116.5N295 K301N295-N297 PolarHBondContact O-N 3.22Å; N297-K301 VanDerWaalsContact O-CD 3.28Å; N297-K301 WeakPolarHBondContact O-CD 3.05Å; N297-K301 VanDerWaalsContact O-CG 3.28Å; N297-K301 WeakPolarHBondContact O-CG 3.34Å
298N35.9Very low33.9Very low127 Ų127118.2 Ų118.268%0.67965%0.645SS**THydrogen-bonded Turntrans-106.8-27.4-167.1-70-4.1000115.4H296H296-N298 PolarHBondContact O-N 2.93Å
299I36.4Very low33.2Very low111 Ų111118.2 Ų118.257%0.56966%0.656SS**Hα-helixtrans-81.8-39.9-177.2-63.6173.7000111.2
300L37Very low32.8Very low85 Ų85116.6 Ų116.645%0.44566%0.656SS.*Hα-helixtrans-73.6-33.4177.4-75.4163.1000112.9N302 F304L300-N302 PolarHBondContact O-N 2.86Å; L300-F304 HydrophobicContact CD2-CD2 4.12Å; L300-F304 HydrophobicContact CD2-CE2 3.98Å; L300-F304 WeakPolarHBondContact O-CB 3.43Å; L300-F304 WeakPolarHBondContact O-CD2 3.16Å; L300-F304 PolarHBondContact O-N 3.19Å; L300-F304 VanDerWaalsContact O-N 3.07Å
301K34.3Very low32.4Very low105 Ų105116 Ų11646%0.45766%0.658SS.*Hα-helixtrans-66.2-38.1-178-79.1-173.1-176176.70113.6N297 N305N297-K301 VanDerWaalsContact O-CD 3.28Å; N297-K301 WeakPolarHBondContact O-CD 3.05Å; N297-K301 VanDerWaalsContact O-CG 3.28Å; N297-K301 WeakPolarHBondContact O-CG 3.34Å; K301-N305 WeakPolarHBondContact O-CB 3.04Å; K301-N305 PolarHBondContact O-N 3.43Å; K301-N305 VanDerWaalsContact O-N 3.17Å; K301-N305 PolarHBondContact O-ND2 2.72Å; K301-N305 PolarHBondContact O-OD1 2.98Å
302N32.6Very low32.1Very low123 Ų123116.9 Ų116.966%0.65866%0.657SS**Hα-helixtrans-74.7-27.8-175.7-72.7-4.9000113.1L300L300-N302 PolarHBondContact O-N 2.86Å
303N32.9Very low31.7Very low141 Ų141121.8 Ų121.875%0.75466%0.659SS**Hα-helixtrans-94.1-11.8176-68.2-5.3000114
304F34.5Very low31.5Very low139 Ų139121.8 Ų121.861%0.6166%0.661SS**SBendtrans-113.619.5175-76.1-88.2000114.2L300 C306L300-F304 HydrophobicContact CD2-CD2 4.12Å; L300-F304 HydrophobicContact CD2-CE2 3.98Å; L300-F304 WeakPolarHBondContact O-CB 3.43Å; L300-F304 WeakPolarHBondContact O-CD2 3.16Å; L300-F304 PolarHBondContact O-N 3.19Å; L300-F304 VanDerWaalsContact O-N 3.07Å; F304-C306 PolarHBondContact O-N 3.48Å
305N28.6Very low31.2Very low93 Ų93126 Ų12650%0.49768%0.675SS.*THydrogen-bonded Turntrans-73.416-173.1-114.3-5.8000116.1K301 C307K301-N305 WeakPolarHBondContact O-CB 3.04Å; K301-N305 PolarHBondContact O-N 3.43Å; K301-N305 VanDerWaalsContact O-N 3.17Å; K301-N305 PolarHBondContact O-ND2 2.72Å; K301-N305 PolarHBondContact O-OD1 2.98Å; N305-C307 PolarHBondContact O-N 2.93Å
306C29Very low31.1Very low111 Ų111125.2 Ų125.275%0.7567%0.671SS**THydrogen-bonded Turntrans-77.4-1.6169-72.90000114.4F304F304-C306 PolarHBondContact O-N 3.48Å
307C25.9Very low30.7Very low105 Ų105128.3 Ų128.371%0.70969%0.69SS**SBendtrans-140.254-176.2-690000113.9N305N305-C307 PolarHBondContact O-N 2.93Å
308N25.9Very low30.4Very low115 Ų115129.2 Ų129.262%0.61570%0.695SS**  trans-14398.8167.6-84-52000111.9
309S30.8Very low30Very low122 Ų122132.7 Ų132.785%0.85370%0.698SS**  trans-135.5113162.956.90000109.3
310S30Very low29.6Very low106 Ų106133.1 Ų133.174%0.74171%0.706SS**  trans-50.4140.8-172.548.90000116.4
311V27.5Very low29.1Very low141 Ų141134.4 Ų134.486%0.85572%0.718SS**  trans-89.7105.2149.8178.90000107.7
312Q29.8Very low28.6Very low172 Ų172136 Ų13680%0.80473%0.731SS**  trans-93.6125.1157.4-90.6-174.1-3000107.9N314Q312-N314 PolarHBondContact O-N 3.32Å
313E25.6Very low28.3Very low180 Ų180135.7 Ų135.784%0.84173%0.734SS**  trans-65.2130.1167-60.7-177.6132.400109.2
314N27.6Very low28Very low162 Ų162136.4 Ų136.487%0.86674%0.736SS**  trans-149.3139.7150.5-104.4-37.1000110.7Q312Q312-N314 PolarHBondContact O-N 3.32Å
315K28Very low27.8Very low191 Ų191134.6 Ų134.683%0.8374%0.741SS**  trans-91.6140-170.9-72.7175.5177.8170.20111.3
316N28.2Very low27.8Very low130 Ų130135 Ų13570%0.69575%0.751SS**  trans77.1136.7134.9-81.343.8000121.7
317D29.8Very low27.7Very low133 Ų133135.7 Ų135.771%0.71176%0.757SS**  trans89.2104.6140.6-56.4-12.9000120.9
318D29.4Very low27.7Very low121 Ų121135.6 Ų135.665%0.64776%0.757SS**  89.8117.2127.8-97.512.9000122.2
319R27.3Very low27.7Very low201 Ų201139.9 Ų139.976%0.75877%0.771SS**  trans90.9104.5134.6-70.4177.2-160.4-151.63.4121.3
320T27.1Very low27.6Very low119 Ų119142.5 Ų142.573%0.7377%0.769SS**  91.7118.3120.651.40000121.2
321T26.1Very low27.4Very low113 Ų113146.1 Ų146.169%0.69378%0.775SS**  trans82.492.713750.80000121.2
322N24.7Very low27.4Very low138 Ų138144.5 Ų144.574%0.73877%0.77SS**  96.2116.4114.4-67.5-2.3000121.3
323T24.9Very low27.4Very low116 Ų116141.8 Ų141.871%0.71277%0.767SS**  trans66.3113.1141.748.80000118.8
324I28.5Very low27.6Very low156 Ų156141.1 Ų141.180%0.876%0.763SS**  61.612462.7-57.3168.7000109.9
325S29.8Very low27.5Very low101 Ų101144.2 Ų144.271%0.70676%0.763SS**  cis-169-161.6-4.862.90000107.8
326S28.1Very low27.3Very low102 Ų102141.6 Ų141.671%0.71376%0.757SS**  cis-166.5159.9-026.40000109.2
327S26.4Very low27.1Very low126 Ų126140.9 Ų140.988%0.88176%0.762SS**  trans-167.1144131.254.50000111.6
328S27Very low26.9Very low102 Ų102139.7 Ų139.771%0.71376%0.759SS**  trans-146.6146.5-172.952.90000110.2
329F25.5Very low26.6Very low206 Ų206142.1 Ų142.190%0.90477%0.771SS**  trans-130.888.9160.4-107.4-81.5000110.7
330H27.6Very low26.5Very low177 Ų177140.4 Ų140.482%0.81977%0.774SS**  trans49.988.6156.8-86.2-72.5000119.8
331E26.4Very low26.4Very low182 Ų182143.3 Ų143.385%0.8578%0.779SS**PPolyproline II helixtrans-70.1163.4156.2-67.8169.2108.800113.5
332S28.7Very low26.3Very low107 Ų107145.1 Ų145.175%0.74878%0.783SS**PPolyproline II helixtrans-61.3150.5167.551.90000114.7
333P29.5Very low26.4Very low114 Ų114144.5 Ų144.574%0.7479%0.786SS**PPolyproline II helixtrans-87.6120.1163.932.1-28000112.8
334E28.2Very low26.4Very low166 Ų166144.2 Ų144.278%0.77679%0.789SS**  trans72.985.3131.1-62.6172.5-167.800119.2I336E334-I336 PolarHBondContact O-N 3.02Å
335R25.4Very low26.4Very low228 Ų228141.9 Ų141.986%0.8679%0.787SS**  trans-59.2108.3143-72.1178.1172.6-175.6-3.6109.3
336I25.6Very low26.2Very low135 Ų135144 Ų14469%0.69279%0.79SS**  trans-86.4110158.8-67.5179.6000108.1E334 V338E334-I336 PolarHBondContact O-N 3.02Å; I336-V338 HydrophobicContact CG2-CG2 3.96Å; I336-V338 PolarHBondContact O-N 2.73Å
337S24Very low26.3Very low115 Ų115148.1 Ų148.180%0.80480%0.795SS**  trans-66120.3168.648.90000110.5
338V25.6Very low26.3Very low108 Ų108149.2 Ų149.266%0.65579%0.791SS**  trans-125.1108.6165.1-1690000108.6I336 M340I336-V338 HydrophobicContact CG2-CG2 3.96Å; I336-V338 PolarHBondContact O-N 2.73Å; V338-M340 HydrophobicContact CG1-CG 4Å; V338-M340 HydrophobicContact CG1-SD 4.45Å; V338-M340 PolarHBondContact O-N 3.29Å
339L23.3Very low26.2Very low173 Ų173153.6 Ų153.691%0.90680%0.798SS**  trans-59121.6164.2-129.280.7000107.8
340M25.2Very low26.3Very low164 Ų164151.5 Ų151.581%0.80879%0.794SS**  trans-128.9109.9172.7-77.8-74.7-81.900108.8V338V338-M340 HydrophobicContact CG1-CG 4Å; V338-M340 HydrophobicContact CG1-SD 4.45Å; V338-M340 PolarHBondContact O-N 3.29Å
341E23.9Very low26.3Very low181 Ų181149.8 Ų149.885%0.84679%0.791SS**  trans-60.9141.9174.5-66.2178.5125.600110.7P343E341-P343 WeakPolarHBondContact O-CD 3.29Å
342I25.2Very low26.3Very low151 Ų151147.6 Ų147.677%0.77479%0.785SS**  trans-59.5122.4171.7-61.2166.4000107.6S344I342-S344 PolarHBondContact O-N 2.89Å
343P24.7Very low26.3Very low124 Ų124148.7 Ų148.781%0.80578%0.783SS**  trans-64.3104.9-177.1-22.533.6000111.1E341 S345E341-P343 WeakPolarHBondContact O-CD 3.29Å; P343-S345 PolarHBondContact O-N 2.77Å
344S26.1Very low26.1Very low111 Ų111150.1 Ų150.178%0.77678%0.784SS**  trans-68.2123.7162.957.40000108.3I342 D346I342-S344 PolarHBondContact O-N 2.89Å; S344-D346 PolarHBondContact O-N 3.3Å
345S27.4Very low26.2Very low106 Ų106150.1 Ų150.174%0.74179%0.79SS**SBendtrans-77.383.7-176.6570000110.8P343P343-S345 PolarHBondContact O-N 2.77Å
346D27.2Very low26.2Very low145 Ų145145.7 Ų145.778%0.77578%0.783SS**  trans-167.2139.7164.4-100.3-31.1000113.9S344S344-D346 PolarHBondContact O-N 3.3Å
347K28.6Very low26.4Very low190 Ų190146.9 Ų146.983%0.82679%0.791SS**  trans97.6101.6163.2-59164-172.8172.40121.2
348N27.2Very low26.4Very low148 Ų148148.6 Ų148.679%0.79179%0.791SS**  31.4116127-60.3-16000122.9
349F25Very low26.4Very low195 Ų195149.6 Ų149.686%0.85580%0.797SS**  40112.8128.1-87.2-79.3000121.8
350I28.1Very low26.5Very low162 Ų162151.4 Ų151.483%0.83179%0.792SS**  168.3147.5114.5-87.1159.1000112.2
351N27.1Very low26.5Very low141 Ų141148.1 Ų148.175%0.75478%0.781SS**  trans-38.1149.7173.2-65.5-15.5000115.4
352N26.2Very low26.6Very low135 Ų135143 Ų14372%0.72276%0.759SS**  -177.1164.659.7-130.6-6000113.5
353N28.3Very low26.8Very low131 Ų131141.6 Ų141.670%0.70175%0.747SS**  trans69.2111.9157.2-67.9-12.8000122.6
354N26.8Very low26.9Very low144 Ų144136 Ų13677%0.7771%0.71SS**  trans39.8108.6130.8-59.7-12.2000120.5
355N30Very low27.1Very low166 Ų166132.4 Ų132.489%0.88868%0.684SS**  -161.6152.7109.9-100.9-30000112.8
356N25.7Very low27.3Very low134 Ų134127.7 Ų127.772%0.71765%0.651SS**  trans-80.3130.7-171.5-68.1-59.9000112.9
357N28.3Very low27.5Very low160 Ų160120.9 Ų120.986%0.85662%0.615SS**  trans-156.1105.6147.3-96.2-27.4000109.2T359N357-T359 PolarHBondContact O-N 3.02Å
358N24.5Very low27.6Very low151 Ų151114.4 Ų114.481%0.80759%0.589SS**  trans-91.678.3-168.1-79.2-50.1000113.3R360N358-R360 PolarHBondContact O-N 3.48Å
359T26.4Very low27.6Very low129 Ų129111.4 Ų111.479%0.79157%0.572SS**  trans-88.896.8161.337.60000110N357 V361N357-T359 PolarHBondContact O-N 3.02Å; T359-V361 PolarHBondContact O-N 3.46Å
360R24.8Very low27.6Very low211 Ų211108.1 Ų108.180%0.79656%0.561SS**  trans-82.672.9-170.3-161.1-177.1-165.2-174.13.9112.7N358 I362N358-R360 PolarHBondContact O-N 3.48Å; R360-I362 HydrophobicContact CG-CG1 4.29Å; R360-I362 PolarHBondContact O-N 3.33Å; R360-I362 VanDerWaalsContact O-N 3.1Å
361V25.5Very low27.5Very low96 Ų96105.7 Ų105.758%0.58256%0.556SS**  trans-70.2101.3171.7-177.30000109.6T359 K363T359-V361 PolarHBondContact O-N 3.46Å; V361-K363 PolarHBondContact O-N 3.12Å
362I26.6Very low27.5Very low73 Ų73104.3 Ų104.337%0.37455%0.549SS..  trans-81.497.6175.9-57.8178.8000108.3R360 S364R360-I362 HydrophobicContact CG-CG1 4.29Å; R360-I362 PolarHBondContact O-N 3.33Å; R360-I362 VanDerWaalsContact O-N 3.1Å; I362-S364 PolarHBondContact O-N 3.49Å
363K27.5Very low27.5Very low122 Ų122109.4 Ų109.453%0.5356%0.558SS.*BIsolated β-bridgetrans-62.6116170.3-63.5-163.2-178.6-155.70109.1V361 E632V361-K363 PolarHBondContact O-N 3.12Å; K363-E632 WeakPolarHBondContact CE-OE1 3.23Å; K363-E632 IonicContact NZ-OE1 3.98Å; K363-E632 PolarHBondContact NZ-OE1 3.24Å
364S26.9Very low27.3Very low5 Ų5111.1 Ų111.14%0.03557%0.566CS.*  trans-120.9104.7174.7-164.20000109.4S139 I362S139-S364 CarbonylContact C-O 3.5Å; S139-S364 VanDerWaalsContact C-O 3.29Å; S139-S364 WeakPolarHBondContact CB-O 3.41Å; S139-S364 CarbonylContact O-C 3.5Å; I362-S364 PolarHBondContact O-N 3.49Å
365T30.7Very low27.4Very low36 Ų36110.1 Ų110.122%0.22157%0.567CS.*  trans-54.7173.5149.951.70000108.7L367T365-L367 CarbonylContact O-C 3.44Å; T365-L367 PolarHBondContact O-N 2.81Å
366S31.6Very low27.2Very low7 Ų7107.3 Ų107.35%0.04956%0.561CS.*SBendtrans-62.615.1-178.942.70000115.3W151W151-S366 PolarHBondContact NE1-OG 3.22Å
367L32.3Very low27.5Very low2 Ų2105.8 Ų105.81%0.0156%0.56CS.*SBendtrans-139.2111.6-171.7-68.8175.7000107.3V31 C33 K55 N59 T365 I369V31-L367 HydrophobicContact CG1-CB 3.59Å; V31-L367 HydrophobicContact CG1-CD1 3.7Å; V31-L367 HydrophobicContact CG1-CD2 3.83Å; V31-L367 HydrophobicContact CG1-CG 3.87Å; V31-L367 HydrophobicContact CG2-CD1 4.08Å; C33-L367 WeakPolarHBondContact SG-CA 3.3Å; C33-L367 WeakPolarHBondContact SG-CB 3.22Å; C33-L367 WeakPolarHBondContact SG-CD2 3.47Å; K55-L367 HydrophobicContact CB-CD1 4.13Å; N59-L367 WeakPolarHBondContact ND2-CD1 3.18Å; T365-L367 CarbonylContact O-C 3.44Å; T365-L367 PolarHBondContact O-N 2.81Å; L367-I369 PolarHBondContact O-N 2.94Å
368N30.5Very low27.4Very low54 Ų54105.5 Ų105.529%0.28956%0.558SS.*  trans-53.5119.3-178.3-72.3-68.1000111.7C33C33-N368 PolarHBondContact SG-N 3.1Å
369I26Very low27.5Very low85 Ų85103 Ų10344%0.43655%0.552SS.*  trans-104.8118170.1-58.7174.9000108.5L367L367-I369 PolarHBondContact O-N 2.94Å
370M25.3Very low27.6Very low126 Ų126104.8 Ų104.862%0.62156%0.556SS**  trans-122.1130.3163.6-80.7-162.8157.900108.9
371P26.4Very low27.6Very low111 Ų11198 Ų9872%0.72155%0.551SS**  trans-72.9133.817029.8-32.7000110R373P371-R373 PolarHBondContact O-N 2.77Å
372D27.3Very low27.9Very low113 Ų11398.7 Ų98.760%0.60456%0.561SS**  trans-69.5126.9179.4-88.90.8000111.3R32R32-D372 IonicContact CZ-OD1 2.64Å; R32-D372 IonicContact CZ-OD2 3.96Å; R32-D372 IonicContact NH1-OD1 2.56Å; R32-D372 PolarHBondContact NH1-OD1 2.84Å; R32-D372 IonicContact NH1-OD2 3.46Å; R32-D372 PolarHBondContact NH1-OD2 3.17Å
373R26.4Very low27.9Very low242 Ų242103.3 Ų103.391%0.91358%0.584SS**  trans-92.5110155.6-80.5-170.8174.8-174.8-1.6108.3P371 P375P371-R373 PolarHBondContact O-N 2.77Å; R373-P375 WeakPolarHBondContact O-CD 3.3Å
374L24.8Very low28.1Very low166 Ų166102.4 Ų102.487%0.86959%0.591SS**PPolyproline II helixtrans-56.6125.8170.3-78.1156.1000111
375P28Very low28Very low123 Ų123108.3 Ų108.380%0.79963%0.627SS**PPolyproline II helixtrans-84.8122.6157.730.8-24.7000109R373R373-P375 WeakPolarHBondContact O-CD 3.3Å
376S27Very low27.8Very low108 Ų108111.8 Ų111.876%0.75565%0.653SS**PPolyproline II helixtrans-73.5151.3175.445.40000112.4
377S30.3Very low27.6Very low101 Ų101119.7 Ų119.771%0.70669%0.689SS**  trans81.3112.7157.168.60000121.2
378L28Very low27.3Very low155 Ų155124.7 Ų124.781%0.81272%0.724SS**  75.8101.8124-62.1169.8000121.3
379C26.1Very low27.1Very low99 Ų99126.5 Ų126.567%0.66975%0.747SS**  66.1115.7120.5-61.90000122.2
380N27.2Very low27.1Very low166 Ų166127.7 Ų127.789%0.88876%0.763SS**  trans64.6120.6133.9-61.6-7.5000121
381G26.4Very low27.3Very low67 Ų67129.6 Ų129.669%0.69177%0.773SS**  trans140.4102.4131.800000118.1
382S30Very low27.2Very low112 Ų112131.7 Ų131.778%0.78378%0.777SS**  trans54.998.5143.239.40000121.4
383I27.3Very low27.3Very low169 Ų169133.2 Ų133.287%0.86778%0.781SS**  66.4143.9114.2-71.3174.3000119.9
384P32Very low27.2Very low104 Ų104131.9 Ų131.968%0.67578%0.776SS**  trans-116176.7-150.842.9-31.8000114.9
385T25.6Very low27.5Very low129 Ų129133.9 Ų133.979%0.79177%0.771SS**  173.3143.8129.326.80000113.1
386S26.7Very low27.5Very low109 Ų109135.3 Ų135.376%0.76277%0.767SS**  trans64.3162.2160.682.40000116.6
387Q27.3Very low27.7Very low173 Ų173141.4 Ų141.481%0.80878%0.775SS**  cis-158.2146.3-13.4-128.8171.219.200108.6
388S25.8Very low27.6Very low106 Ų106143.9 Ų143.974%0.74178%0.776SS**  trans45.2138.4150.555.80000124.4
389A25.7Very low27.7Very low93 Ų93144.3 Ų144.377%0.76977%0.771SS**  trans87.8118.1140.700000121.6
390S25.8Very low28Very low110 Ų110148.7 Ų148.777%0.76978%0.782SS**  trans-11.7140.815254.80000120.7
391I29.1Very low28Very low165 Ų165148 Ų14885%0.84678%0.778SS**  trans-150.6147.5139.4-98.6142.2000109.9
392I25.1Very low28.1Very low156 Ų156150.7 Ų150.780%0.878%0.781SS**  trans-95.9134174.6-64.9163.2000108.4
393E28.9Very low28.1Very low145 Ų145153.4 Ų153.468%0.67878%0.781SS**  trans-129.5123.8157-92.2-156.3175.200111.8R395E393-R395 IonicContact OE2-CZ 3.69Å; E393-R395 IonicContact OE2-NE 3.3Å; E393-R395 PolarHBondContact OE2-NE 2.73Å; E393-R395 IonicContact OE2-NH2 3.73Å; E393-R395 PolarHBondContact OE2-NH2 2.89Å
394R25.3Very low28.1Very low214 Ų214152.7 Ų152.781%0.80878%0.775SS**  trans-91.2147.5156.7-72178.4174175.2-1.8108.1
395R30.9Very low28Very low207 Ų207152.6 Ų152.678%0.78178%0.776SS**  trans-128.2125.8155.4-69.8-170.5-173.9-168-0.3111E393E393-R395 IonicContact OE2-CZ 3.69Å; E393-R395 IonicContact OE2-NE 3.3Å; E393-R395 PolarHBondContact OE2-NE 2.73Å; E393-R395 IonicContact OE2-NH2 3.73Å; E393-R395 PolarHBondContact OE2-NH2 2.89Å
396H27.6Very low28.1Very low154 Ų154152.3 Ų152.371%0.71377%0.774SS**  trans-89.1156.3166.8-84.4-81.1000110
397Y31.5Very low28.1Very low236 Ų236152.8 Ų152.893%0.92577%0.773SS**  trans-132134.5147.4-99.1-88.7000110.1
398Q28.4Very low28Very low152 Ų152152.4 Ų152.471%0.7177%0.771SS**  trans-100.7170.1169.7-75.5-175.10.900107.9
399K29.2Very low27.9Very low165 Ų165153 Ų15372%0.71777%0.77SS**  cis-171.3162.5-6-115175.7178.2178.90106
400Q32.2Very low27.9Very low191 Ų191158.2 Ų158.289%0.89378%0.775SS**  160.4159.4123.2-83.6-1741200113.1
401N27.8Very low28Very low151 Ų151161 Ų16181%0.80778%0.776SS**  trans-121161.1-158.3-57.8-22.2000114
402T27.8Very low27.8Very low124 Ų124163 Ų16376%0.76178%0.779SS**  174126.3126.8310000109.8
403Q29.3Very low27.8Very low168 Ų168160 Ų16079%0.78577%0.768SS**  69.6137.876.7-84.8-175.8-14.700115.1
404Q28.8Very low27.8Very low155 Ų155161 Ų16172%0.72477%0.773SS**  cis-172.8166.8-3.8-158.5170.20.200112.6
405S28.6Very low27.8Very low102 Ų102157.8 Ų157.871%0.71377%0.771SS**  trans88.6150.3145.984.80000121.6
406T28.1Very low27.7Very low122 Ų122152.9 Ų152.975%0.74877%0.769SS**  cis-175.4157.2-15.622.10000114.3
407V26.1Very low27.6Very low120 Ų120150.3 Ų150.373%0.72777%0.768SS**  trans73.1146.9141.8164.40000120.9
408E25.4Very low27.3Very low165 Ų165143.8 Ų143.877%0.77176%0.757SS**  cis-164.9142.1-21.8-101.4176.6173.600113.7
409V25.3Very low27.1Very low118 Ų118144.1 Ų144.172%0.71576%0.763SS**  trans31.5128.9132.6-170.50000123.7
410K25.4Very low27.1Very low203 Ų203144.4 Ų144.488%0.88377%0.771SS**  -173.1140.5118.6-102.9172.2-172.9176.40115.8
411Q26.5Very low26.8Very low167 Ų167143.8 Ų143.878%0.7877%0.77SS**  trans-89.3163.6174.6-66162.1-76.900112.4
412F25.3Very low26.8Very low207 Ų207143.5 Ų143.591%0.90877%0.769SS**  trans-145.7160.6135.7-105.3-76.9000110.7
413T26.2Very low26.8Very low94 Ų94146 Ų14658%0.57777%0.772SS**  trans-109.5-174.8-161.441.80000113.5
414E27.1Very low26.6Very low167 Ų167146.1 Ų146.178%0.7877%0.773SS**  trans74.4143.5164.8-64.1163.3-151.500115.2
415D25.8Very low26.4Very low146 Ų146145.6 Ų145.678%0.78178%0.775SS**  cis-163.9-172.6-13.7-120-16.1000108.9
416S28.6Very low26.3Very low103 Ų103145.9 Ų145.972%0.7278%0.777SS**  trans107.777.6158.6-43.80000118.1
417S25.7Very low26.1Very low100 Ų100147.4 Ų147.470%0.69978%0.777SS**  47.7122.5115.166.50000121.7
418S25.3Very low26.2Very low100 Ų100148.9 Ų148.970%0.69978%0.776SS**  trans61.3125.7132.467.50000120.9
419L25.1Very low26.2Very low158 Ų158147.5 Ų147.583%0.82777%0.774SS**  175.7107.1117.2-96.1158.1000111.5
420L29.3Very low26.2Very low171 Ų171149.3 Ų149.390%0.89578%0.779SS**  161.5101.3126.8-87.3163.1000111.4
421M26.1Very low26.2Very low178 Ų178144.6 Ų144.688%0.87777%0.772SS**  trans-135.2124.4167.2-170.8-177.7-165.800105.8
422N26.9Very low26.2Very low146 Ų146142.6 Ų142.678%0.78177%0.767SS**  trans171138.5173.7-90-28.4000106.1
423Q28.3Very low26.2Very low176 Ų176139.7 Ų139.782%0.82276%0.761SS**  cis-151.5143.89.4-111.9163.8-9.500109.3
424E24.5Very low26.3Very low170 Ų170142.9 Ų142.979%0.79477%0.774SS**  trans-92.9161.9165.6-61.2-174.1136.500111.7
425N25.2Very low26.3Very low145 Ų145142.2 Ų142.278%0.77578%0.776SS**  trans60.699.6151.8-63.2-40000119.7
426S25.8Very low26.5Very low107 Ų107145 Ų14575%0.74878%0.784SS**  trans-165.2108143-173.30000114.8
427M24.7Very low26.4Very low155 Ų155146.7 Ų146.776%0.76478%0.783SS**  trans56.5142.5138.4-51.5-16884.500123.9
428H28.4Very low26.7Very low150 Ų150147.7 Ų147.769%0.69478%0.78SS**  trans90.895.1150.3-69.4-21.4000121.7
429N24.8Very low27.2Very low137 Ų137148.6 Ų148.673%0.73378%0.776SS**  50.1114.9113.4-68.7-5.2000120.5
430N24.6Very low27.8Very low155 Ų155146.6 Ų146.683%0.82977%0.766SS**  trans62.3114.8138.8-71.9-8.3000119.9
431S26.2Very low28.7Very low104 Ų104141.6 Ų141.673%0.72774%0.738SS**  trans123.8138.4132.473.40000115.5
432N25.8Very low30.2Very low126 Ų126140.8 Ų140.867%0.67473%0.727SS**  trans83.2107.5162.2-48.8-38.4000117.8
433N25.7Very low32.5Very low145 Ų145134.8 Ų134.878%0.77569%0.694SS**  45.1105.9129.5-49-11.3000117.6
434N27.8Very low35.1Very low162 Ų162126.8 Ų126.887%0.86666%0.659SS**  trans-151.3144.8140.8-87.5-48.6000109.8
435D28.6Very low37.8Very low153 Ų153119.6 Ų119.682%0.81863%0.626SS**  trans-87.7117.8-171.9-49.7-89.8000111.8
436E28.5Very low40.6Very low203 Ų203114.1 Ų114.195%0.94960%0.601SS**  trans-102.478.3156.4-79.2-168.814300108.7D438E436-D438 PolarHBondContact O-N 2.84Å
437M27.1Very low43.4Very low139 Ų139109.1 Ų109.169%0.68557%0.566SS**  trans-81.8110.6172.3-163.2-179.276.900108.8I439M437-I439 PolarHBondContact O-N 3.01Å
438D31.7Very low46Very low122 Ų122101.8 Ų101.865%0.65253%0.53SS*.  trans-53.7115.6-173.3-141.6-34.4000112E436 N440E436-D438 PolarHBondContact O-N 2.84Å; D438-N440 PolarHBondContact O-N 2.83Å; D438-N440 VanDerWaalsContact O-N 3.14Å; D438-N440 PolarHBondContact OD1-ND2 2.9Å
439I35.7Very low47.8Very low118 Ų11896 Ų9661%0.60550%0.504SS*.SBendtrans-75.6-1.6-172.2-63.8176.1000111.8M437 E441M437-I439 PolarHBondContact O-N 3.01Å; I439-E441 VanDerWaalsContact C-N 3.29Å; I439-E441 PolarHBondContact O-N 3.09Å; I439-E441 VanDerWaalsContact O-N 3.17Å
440N37.3Very low49.2Very low117 Ų11792 Ų9263%0.62649%0.486SS*.  trans-85.538.8-179.3-63.1-59.9000114.2D438 Y442D438-N440 PolarHBondContact O-N 2.83Å; D438-N440 VanDerWaalsContact O-N 3.14Å; D438-N440 PolarHBondContact OD1-ND2 2.9Å; N440-Y442 PolarHBondContact O-N 3.25Å
441E48.6Very low50.4Low66 Ų6686.1 Ų86.131%0.30845%0.454SS..  trans-58.7110.9171.6-76.2-170.7115.200110N286 I439 L443 R580N286-E441 PolarHBondContact ND2-OE2 3.43Å; N286-E441 VanDerWaalsContact ND2-OE2 3.11Å; I439-E441 VanDerWaalsContact C-N 3.29Å; I439-E441 PolarHBondContact O-N 3.09Å; I439-E441 VanDerWaalsContact O-N 3.17Å; E441-L443 PolarHBondContact O-N 3.25Å; E441-R580 VanDerWaalsContact CD-CZ 3.41Å; E441-R580 VanDerWaalsContact CD-NH2 3.27Å; E441-R580 IonicContact OE1-CZ 3.8Å; E441-R580 IonicContact OE1-NE 3.69Å; E441-R580 PolarHBondContact OE1-NE 3.4Å; E441-R580 IonicContact OE1-NH1 3.85Å; E441-R580 PolarHBondContact OE1-NH1 2.92Å; E441-R580 IonicContact OE1-NH2 2.94Å; E441-R580 PolarHBondContact OE1-NH2 3.12Å; E441-R580 IonicContact OE2-CZ 2.65Å; E441-R580 IonicContact OE2-NH1 2.82Å; E441-R580 PolarHBondContact OE2-NH1 3.36Å; E441-R580 IonicContact OE2-NH2 3.89Å; E441-R580 PolarHBondContact OE2-NH2 2.97Å
442Y57.4Low51.4Low161 Ų16181.3 Ų81.363%0.63142%0.42SS*.  trans-51.796.9-166.9-69-90.3000113.9N440 G444 P523N440-Y442 PolarHBondContact O-N 3.25Å; Y442-G444 PolarHBondContact O-N 3.05Å; Y442-P523 HydrophobicContact CE1-CG 3.98Å
443L76.7Confident52.5Low20 Ų2077.6 Ų77.611%0.10540%0.397CS..SBendtrans-65.1-14.7171.6-106.6104.3000113.4I281 F282 Y284 E441 L608 W611I281-L443 CarbonylContact C-O 3.54Å; I281-L443 WeakPolarHBondContact CA-O 3.18Å; F282-L443 PolarHBondContact N-O 2.98Å; Y284-L443 HydrophobicContact CD2-CD1 3.38Å; Y284-L443 HydrophobicContact CD2-CG 4.33Å; Y284-L443 HydrophobicContact CE2-CD1 4.08Å; Y284-L443 HydrophobicContact CG-CD1 3.94Å; E441-L443 PolarHBondContact O-N 3.25Å; L443-L608 HydrophobicContact CD1-CD2 3.78Å; L443-L608 HydrophobicContact CD2-CD2 4.03Å; L443-W611 HydrophobicContact CD2-CB 3.86Å; L443-W611 HydrophobicContact CD2-CG 4.34Å
444G81.7Confident53.1Low8 Ų871.8 Ų71.88%0.08237%0.367CS..EExtended strand (participates in β ladder)trans-151.5149.9-178.400000112.7L280 Y442L280-G444 CarbonylContact O-C 3.6Å; L280-G444 VanDerWaalsContact O-CA 3.29Å; L280-G444 WeakPolarHBondContact O-CA 3.49Å; Y442-G444 PolarHBondContact O-N 3.05Å
445I82.6Confident53.8Low18 Ų1867.7 Ų67.79%0.09234%0.343CS..EExtended strand (participates in β ladder)trans-119.2126177.8-53.4170.7000107.6W279 L280 F282 L447 N526 L529W279-I445 CarbonylContact C-O 3.5Å; W279-I445 WeakPolarHBondContact CA-O 3.45Å; L280-I445 PolarHBondContact N-O 2.87Å; L280-I445 PolarHBondContact O-N 3.35Å; F282-I445 HydrophobicContact CD2-CD1 4.3Å; F282-I445 HydrophobicContact CD2-CG1 4.31Å; F282-I445 HydrophobicContact CE2-CB 4.41Å; F282-I445 HydrophobicContact CE2-CD1 3.35Å; F282-I445 HydrophobicContact CE2-CG1 3.68Å; F282-I445 HydrophobicContact CZ-CD1 3.7Å; I445-L447 PolarHBondContact O-N 2.96Å; I445-N526 HydrophobicContact CD1-CB 3.78Å; I445-N526 VanDerWaalsContact CD1-ND2 3.31Å; I445-N526 WeakPolarHBondContact CD1-ND2 3.21Å; I445-L529 HydrophobicContact CG2-CD2 4.43Å
446A83.8Confident54.5Low31 Ų3163.1 Ų63.126%0.25632%0.323SS..EExtended strand (participates in β ladder)trans-70.3119.1168.600000109.5W279W279-A446 HydrophobicContact CD2-CB 4.08Å; W279-A446 HydrophobicContact CE3-CB 4.36Å; W279-A446 HydrophobicContact CH2-CB 4.12Å; W279-A446 HydrophobicContact CZ2-CB 3.82Å; W279-A446 HydrophobicContact CZ3-CB 4.38Å
447L84.6Confident55Low1 Ų155.8 Ų55.81%0.00529%0.293CS..SBendtrans-83-23.2170.3-59.6-173.8000111.3I268 T270 A278 L280 I445 L529 T560 W562 L588I268-L447 HydrophobicContact CG2-CD1 4.07Å; T270-L447 HydrophobicContact CG2-CB 4.22Å; A278-L447 HydrophobicContact CB-CB 4.38Å; A278-L447 PolarHBondContact O-N 3.22Å; L280-L447 HydrophobicContact CB-CD1 4.12Å; L280-L447 HydrophobicContact CB-CD2 4.1Å; L280-L447 HydrophobicContact CB-CG 3.99Å; L280-L447 HydrophobicContact CD2-CD2 4.41Å; I445-L447 PolarHBondContact O-N 2.96Å; L447-L529 HydrophobicContact CD2-CD1 4.4Å; L447-T560 WeakPolarHBondContact O-CB 3.22Å; L447-T560 VanDerWaalsContact O-CG2 3.26Å; L447-T560 WeakPolarHBondContact O-CG2 3.34Å; L447-T560 PolarHBondContact O-OG1 3.42Å; L447-W562 HydrophobicContact CD2-CB 4.15Å; L447-L588 HydrophobicContact CD1-CD1 3.74Å
448T78.5Confident55.4Low1 Ų153.1 Ų53.11%0.00629%0.288CS..SBendtrans-107.1123.8168.754.50000109.5T259 T270 W272 Q277 A278T259-T448 HydrophobicContact CG2-CG2 3.64Å; T270-T448 HydrophobicContact CG2-CG2 3.97Å; W272-T448 HydrophobicContact CB-CG2 3.93Å; W272-T448 HydrophobicContact CD2-CG2 3.7Å; W272-T448 HydrophobicContact CE3-CG2 4.1Å; W272-T448 HydrophobicContact CG-CG2 3.61Å; Q277-T448 WeakPolarHBondContact CA-OG1 3.41Å; Q277-T448 VanDerWaalsContact CB-OG1 3.3Å; Q277-T448 WeakPolarHBondContact CB-OG1 3.42Å; A278-T448 HydrophobicContact CB-CG2 3.99Å; A278-T448 PolarHBondContact N-OG1 2.8Å; A278-T448 PolarHBondContact O-N 3.23Å
449D65.3Low55.6Low30 Ų3050.9 Ų50.916%0.1627%0.274CS..  trans-72.8153.4177.4-159.6-9.7000112.2W272 L451 P522W272-D449 HydrophobicContact CZ2-CB 3.94Å; D449-L451 HydrophobicContact CB-CB 4.32Å; D449-L451 HydrophobicContact CB-CD1 4.19Å; D449-L451 HydrophobicContact CB-CG 4.18Å; D449-L451 PolarHBondContact O-N 3.42Å; D449-L451 WeakPolarHBondContact OD2-CD1 3.21Å; D449-L451 WeakPolarHBondContact OD2-CG 3.45Å; D449-P522 WeakPolarHBondContact OD2-CD 3.4Å; D449-P522 VanDerWaalsContact OD2-CG 3.25Å; D449-P522 WeakPolarHBondContact OD2-CG 3.32Å
450C55Low55.7Low52 Ų5246.1 Ų46.135%0.35125%0.248SC..G310 helixtrans-68.2-7174-67.70000113.4H452 R453C450-H452 PolarHBondContact O-N 3.08Å; C450-R453 WeakPolarHBondContact O-CB 3.43Å; C450-R453 WeakPolarHBondContact O-CG 3.48Å; C450-R453 PolarHBondContact O-N 3.11Å
451L49.4Very low55.7Low32 Ų3241.7 Ų41.717%0.16823%0.226CC..G310 helixtrans-50.8-19.7-176-79.8173.9000117D449 V534 S538D449-L451 HydrophobicContact CB-CB 4.32Å; D449-L451 HydrophobicContact CB-CD1 4.19Å; D449-L451 HydrophobicContact CB-CG 4.18Å; D449-L451 PolarHBondContact O-N 3.42Å; D449-L451 WeakPolarHBondContact OD2-CD1 3.21Å; D449-L451 WeakPolarHBondContact OD2-CG 3.45Å; L451-V534 HydrophobicContact CD1-CG1 4.03Å; L451-V534 HydrophobicContact CD1-CG2 3.7Å; L451-S538 CarbonylContact O-C 3.53Å; L451-S538 WeakPolarHBondContact O-CB 3.43Å; L451-S538 PolarHBondContact O-OG 3.07Å
452H48.5Very low54.9Low3 Ų341.7 Ų41.71%0.01423%0.233CC..G310 helixtrans-96.91.5-179.5-63.7-88000113.9W272 G274 C450 S558W272-H452 AromaticContact NE1-CD2 3.36Å; W272-H452 PolarHBondContact NE1-CD2 2.92Å; W272-H452 AromaticContact NE1-NE2 3.77Å; G274-H452 WeakPolarHBondContact O-CB 3.35Å; C450-H452 PolarHBondContact O-N 3.08Å; H452-S558 PolarHBondContact NE2-OG 3.44Å
453R48.7Very low54Low47 Ų4736.1 Ų36.118%0.17722%0.216CC..SBendtrans-78.5143.7-176.9-69.2-157-177.3-163.3-5.2113.7C450 E455 S456 D597C450-R453 WeakPolarHBondContact O-CB 3.43Å; C450-R453 WeakPolarHBondContact O-CG 3.48Å; C450-R453 PolarHBondContact O-N 3.11Å; R453-E455 HydrophobicContact CB-CG 4.26Å; R453-E455 WeakPolarHBondContact CD-OE1 3.33Å; R453-E455 IonicContact CZ-OE1 2.73Å; R453-E455 IonicContact NE-OE1 2.74Å; R453-E455 IonicContact NH1-OE1 2.66Å; R453-E455 PolarHBondContact NH1-OE1 2.94Å; R453-E455 PolarHBondContact O-N 3.4Å; R453-E455 VanDerWaalsContact O-N 3.11Å; R453-S456 PolarHBondContact O-N 2.83Å; R453-D597 IonicContact NH1-OD1 3.49Å
454P37.6Very low52.1Low24 Ų2437.6 Ų37.616%0.15622%0.223CC..THydrogen-bonded Turntrans-60.9-16.1178.4-23.734.5000116.1P457P454-P457 WeakPolarHBondContact O-CD 3.48Å; P454-P457 WeakPolarHBondContact O-CG 3.37Å
455E42.5Very low49.8Very low76 Ų7646.8 Ų46.836%0.35526%0.255SS..THydrogen-bonded Turntrans-86.3-8.7177.660.1-95.4-147.200115.6R453 I742R453-E455 HydrophobicContact CB-CG 4.26Å; R453-E455 WeakPolarHBondContact CD-OE1 3.33Å; R453-E455 IonicContact CZ-OE1 2.73Å; R453-E455 IonicContact NE-OE1 2.74Å; R453-E455 IonicContact NH1-OE1 2.66Å; R453-E455 PolarHBondContact NH1-OE1 2.94Å; R453-E455 PolarHBondContact O-N 3.4Å; R453-E455 VanDerWaalsContact O-N 3.11Å; E455-I742 HydrophobicContact CB-CD1 4.42Å
456S43.8Very low47.3Very low57 Ų5750 Ų5040%0.39928%0.276SS..SBendtrans-104.419.5175.8-52.90000118.2R453R453-S456 PolarHBondContact O-N 2.83Å
457P39.2Very low44.6Very low49 Ų4950.8 Ų50.832%0.31829%0.287SS..Hα-helixtrans-85.9-19.4-162.735.2-39.5000115.7P454 V461P454-P457 WeakPolarHBondContact O-CD 3.48Å; P454-P457 WeakPolarHBondContact O-CG 3.37Å; P457-V461 WeakPolarHBondContact O-CG2 3.46Å
458S34.2Very low42Very low82 Ų8251.9 Ų51.957%0.57330%0.299SS*.Hα-helixtrans-71.7-38.3-164.645.30000114.2S462S458-S462 PolarHBondContact O-OG 2.8Å
459E35.9Very low39.8Very low76 Ų7653.4 Ų53.436%0.35531%0.309SS..Hα-helixtrans-85-44.2-170.3-64.4177.5170.200111.9V461 S462 V463 I519E459-V461 PolarHBondContact O-N 2.63Å; E459-S462 WeakPolarHBondContact O-CB 3.24Å; E459-S462 PolarHBondContact O-N 3.35Å; E459-S462 VanDerWaalsContact O-N 3.09Å; E459-V463 PolarHBondContact O-N 3.11Å; E459-I519 HydrophobicContact CB-CD1 4.01Å; E459-I519 HydrophobicContact CB-CG1 4.1Å; E459-I519 WeakPolarHBondContact OE2-CG1 3.3Å
460F38.8Very low38.4Very low17 Ų1754.6 Ų54.68%0.07532%0.315CS..Hα-helixtrans-65-37.3-179.4-150.8-89.3000112.8S462 L464 I470 T687F460-S462 VanDerWaalsContact C-N 3.26Å; F460-S462 PolarHBondContact O-N 2.97Å; F460-L464 HydrophobicContact CD1-CD1 3.64Å; F460-L464 HydrophobicContact CE1-CD1 3.72Å; F460-L464 PolarHBondContact O-N 2.87Å; F460-I470 HydrophobicContact CD2-CD1 3.65Å; F460-I470 HydrophobicContact CE2-CD1 3.28Å; F460-I470 HydrophobicContact CG-CD1 4.44Å; F460-I470 HydrophobicContact CZ-CD1 3.79Å; F460-T687 HydrophobicContact CE1-CG2 4.24Å; F460-T687 HydrophobicContact CZ-CG2 3.88Å
461V36.7Very low37.3Very low25 Ų2556.9 Ų56.915%0.15232%0.323CS..Hα-helixtrans-61.5-37.3173.6176.50000111.5P457 E459 L464 R465 S539P457-V461 WeakPolarHBondContact O-CG2 3.46Å; E459-V461 PolarHBondContact O-N 2.63Å; V461-L464 PolarHBondContact O-N 3.31Å; V461-R465 HydrophobicContact CG1-CG 4.03Å; V461-R465 WeakPolarHBondContact O-CB 3.49Å; V461-R465 WeakPolarHBondContact O-CG 3.22Å; V461-R465 PolarHBondContact O-N 3.34Å; V461-S539 VanDerWaalsContact CG2-OG 3.25Å; V461-S539 WeakPolarHBondContact CG2-OG 3.31Å
462S32.2Very low36.5Very low65 Ų6557.4 Ų57.446%0.45533%0.328SS..Hα-helixtrans-72.1-38.5-173.6-61.70000111.8S458 E459 F460 L464 T466S458-S462 PolarHBondContact O-OG 2.8Å; E459-S462 WeakPolarHBondContact O-CB 3.24Å; E459-S462 PolarHBondContact O-N 3.35Å; E459-S462 VanDerWaalsContact O-N 3.09Å; F460-S462 VanDerWaalsContact C-N 3.26Å; F460-S462 PolarHBondContact O-N 2.97Å; S462-L464 PolarHBondContact O-N 2.82Å; S462-T466 WeakPolarHBondContact O-CG2 3.49Å; S462-T466 PolarHBondContact O-N 2.85Å; S462-T466 PolarHBondContact O-OG1 2.71Å
463V38.3Very low35.7Very low45 Ų4565 Ų6527%0.27336%0.363SS..Hα-helixtrans-62-42.1172.9179.20000111.4E459 T466 G467 G468 I470E459-V463 PolarHBondContact O-N 3.11Å; V463-T466 PolarHBondContact O-N 2.82Å; V463-T466 PolarHBondContact O-OG1 2.78Å; V463-G467 PolarHBondContact O-N 3.49Å; V463-G468 PolarHBondContact O-N 3.4Å; V463-I470 HydrophobicContact CG1-CD1 4.38Å; V463-I470 HydrophobicContact CG1-CG1 4.06Å
464L36.3Very low35.1Very low50 Ų5067.3 Ų67.326%0.26238%0.382SS..Hα-helixtrans-76.5-37.8-178.3-70.1162.3000113.1F460 V461 S462 T466 G467 L537F460-L464 HydrophobicContact CD1-CD1 3.64Å; F460-L464 HydrophobicContact CE1-CD1 3.72Å; F460-L464 PolarHBondContact O-N 2.87Å; V461-L464 PolarHBondContact O-N 3.31Å; S462-L464 PolarHBondContact O-N 2.82Å; L464-T466 PolarHBondContact O-N 2.82Å; L464-G467 PolarHBondContact O-N 3.04Å; L464-G467 VanDerWaalsContact O-N 3.13Å; L464-L537 HydrophobicContact CD1-CB 4.26Å; L464-L537 HydrophobicContact CD1-CD1 4.29Å; L464-L537 HydrophobicContact CD1-CD2 3.48Å; L464-L537 VanDerWaalsContact CD1-CD2 3.48Å; L464-L537 HydrophobicContact CD1-CG 4.19Å; L464-L537 HydrophobicContact CD2-CD2 4.16Å; L464-L537 HydrophobicContact CG-CD2 4.45Å
465R33.1Very low34.9Very low202 Ų20268.9 Ų68.976%0.76240%0.403SS*.Hα-helixtrans-62.8-24.7173.4-79.1-177.4-179.9149.43113V461V461-R465 HydrophobicContact CG1-CG 4.03Å; V461-R465 WeakPolarHBondContact O-CB 3.49Å; V461-R465 WeakPolarHBondContact O-CG 3.22Å; V461-R465 PolarHBondContact O-N 3.34Å
466T31.7Very low34.5Very low86 Ų8670 Ų7053%0.52842%0.419SS..THydrogen-bonded Turntrans-94.22.3177520000113.7S462 V463 L464 M496S462-T466 WeakPolarHBondContact O-CG2 3.49Å; S462-T466 PolarHBondContact O-N 2.85Å; S462-T466 PolarHBondContact O-OG1 2.71Å; V463-T466 PolarHBondContact O-N 2.82Å; V463-T466 PolarHBondContact O-OG1 2.78Å; L464-T466 PolarHBondContact O-N 2.82Å; T466-M496 HydrophobicContact CG2-CE 4.23Å; T466-M496 HydrophobicContact CG2-SD 4.33Å
467G25.7Very low33.9Very low47 Ų4774.5 Ų74.549%0.48543%0.434SS..THydrogen-bonded Turntrans77.915.817800000114.9V463 L464V463-G467 PolarHBondContact O-N 3.49Å; L464-G467 PolarHBondContact O-N 3.04Å; L464-G467 VanDerWaalsContact O-N 3.13Å
468G29.8Very low33.7Very low24 Ų2480.3 Ų80.325%0.24746%0.462CS..  trans-78.9156.2177.300000113.7V463V463-G468 PolarHBondContact O-N 3.4Å
469S32.9Very low33.7Very low33 Ų3379.9 Ų79.923%0.23146%0.459CS..  trans-111.9134.8173.252.80000110.9
470I35Very low33.5Very low54 Ų5482.5 Ų82.528%0.27749%0.486SS..  trans-93.5124.8167.4-65167.5000107.6F460 V463 R685 V686F460-I470 HydrophobicContact CD2-CD1 3.65Å; F460-I470 HydrophobicContact CE2-CD1 3.28Å; F460-I470 HydrophobicContact CG-CD1 4.44Å; F460-I470 HydrophobicContact CZ-CD1 3.79Å; V463-I470 HydrophobicContact CG1-CD1 4.38Å; V463-I470 HydrophobicContact CG1-CG1 4.06Å; I470-R685 VanDerWaalsContact O-O 3.06Å; I470-V686 WeakPolarHBondContact O-CA 3.28Å; I470-V686 WeakPolarHBondContact O-CB 3.4Å; I470-V686 WeakPolarHBondContact O-CG1 3.33Å; I470-V686 VanDerWaalsContact O-CG2 3.3Å; I470-V686 WeakPolarHBondContact O-CG2 3.12Å
471L31.9Very low33.1Very low101 Ų10186 Ų8653%0.52951%0.512SS..  trans-125.9110.2-179.2-165.2144.6000107.9V686L471-V686 HydrophobicContact CB-CG2 4.06Å; L471-V686 HydrophobicContact CD1-CG2 3.95Å; L471-V686 HydrophobicContact CG-CG2 4.07Å
472T34.2Very low32.8Very low43 Ų4390.7 Ų90.726%0.26454%0.541SS..  trans-85.8137172.635.70000111I521 R685T472-I521 HydrophobicContact CG2-CD1 4Å; T472-R685 WeakPolarHBondContact O-CB 3.26Å; T472-R685 WeakPolarHBondContact O-CD 3.4Å; T472-R685 WeakPolarHBondContact O-CG 3.48Å; T472-R685 PolarHBondContact O-NH1 2.79Å; T472-R685 WeakPolarHBondContact OG1-CB 3.39Å; T472-R685 WeakPolarHBondContact OG1-CD 3.24Å
473E31.6Very low32.6Very low163 Ų16394 Ų9476%0.76255%0.549SS*.  trans-119.5107.4170.4-158.2161.6-140.200108.9G475E473-G475 PolarHBondContact O-N 2.89Å; E473-G475 VanDerWaalsContact O-N 3.09Å
474V36.4Very low32.4Very low95 Ų9598.3 Ų98.358%0.57657%0.57SS**  trans-69.2105.7170.5178.90000106.6S476V474-S476 PolarHBondContact O-N 2.73Å
475G31.8Very low32Very low57 Ų57102.1 Ų102.159%0.58859%0.585SS**  trans-65.4125.7-177.200000111.3E473E473-G475 PolarHBondContact O-N 2.89Å; E473-G475 VanDerWaalsContact O-N 3.09Å
476S34Very low31.9Very low98 Ų9898.6 Ų98.669%0.68558%0.58SS**  trans-66.4134165.958.40000109.6V474 N478V474-S476 PolarHBondContact O-N 2.73Å; S476-N478 PolarHBondContact O-N 3.22Å
477E32.6Very low31.7Very low153 Ų153101.3 Ų101.372%0.71559%0.585SS**THydrogen-bonded Turntrans-54.6103.9172.6-58.8-171.7160.900110.7
478N35.2Very low31.8Very low170 Ų170108.1 Ų108.191%0.90960%0.597SS**THydrogen-bonded Turntrans175.1-8.4157.4-92.2-35.1000114.6S476S476-N478 PolarHBondContact O-N 3.22Å
479S32.8Very low31.8Very low74 Ų74110 Ų11052%0.51761%0.606SS.*  trans-98.5114.4177.154.80000112.8S481S479-S481 PolarHBondContact O-N 3.2Å
480S31.9Very low31.5Very low131 Ų131117.5 Ų117.592%0.91664%0.638SS**SBendtrans-75.331.4-178.2540000115.3
481S31.1Very low31.2Very low90 Ų90119.4 Ų119.463%0.62966%0.656SS**  trans-156.285.2178.546.60000111.7S479 E483S479-S481 PolarHBondContact O-N 3.2Å; S481-E483 VanDerWaalsContact C-N 3.35Å; S481-E483 PolarHBondContact O-N 2.79Å; S481-E483 VanDerWaalsContact O-N 3.15Å
482V30.1Very low31.2Very low124 Ų124119.5 Ų119.575%0.75266%0.662SS**  trans-84.181.7171.1-175.40000108.8
483E28.5Very low31.1Very low135 Ų135126.6 Ų126.663%0.63169%0.689SS**  trans-79.8121.4160.9-77.4-172.713600109.1S481 K485S481-E483 VanDerWaalsContact C-N 3.35Å; S481-E483 PolarHBondContact O-N 2.79Å; S481-E483 VanDerWaalsContact O-N 3.15Å; E483-K485 HydrophobicContact CB-CG 4.3Å; E483-K485 PolarHBondContact O-N 2.9Å; E483-K485 WeakPolarHBondContact OE2-CE 3.43Å; E483-K485 IonicContact OE2-NZ 3.94Å; E483-K485 PolarHBondContact OE2-NZ 2.94Å
484N32.9Very low31.1Very low134 Ų134124.8 Ų124.872%0.71769%0.685SS**  trans-67.177.5170.5-75.7-27.8000110.8I486N484-I486 PolarHBondContact O-N 2.68Å; N484-I486 VanDerWaalsContact O-N 3.14Å
485K28.1Very low30.9Very low130 Ų130124.5 Ų124.557%0.56569%0.687SS**  trans-78.197178.8-81.6-168.7174.1101.30111.7E483 F487E483-K485 HydrophobicContact CB-CG 4.3Å; E483-K485 PolarHBondContact O-N 2.9Å; E483-K485 WeakPolarHBondContact OE2-CE 3.43Å; E483-K485 IonicContact OE2-NZ 3.94Å; E483-K485 PolarHBondContact OE2-NZ 2.94Å; K485-F487 HydrophobicContact CB-CD2 4.49Å; K485-F487 HydrophobicContact CB-CE2 4.05Å; K485-F487 HydrophobicContact CB-CZ 4.47Å; K485-F487 WeakPolarHBondContact O-CD2 3.15Å; K485-F487 PolarHBondContact O-N 2.94Å
486I31.2Very low31Very low129 Ų129127.7 Ų127.766%0.66269%0.688SS**  trans-68.1111.8163.8-59174.2000108.4N484N484-I486 PolarHBondContact O-N 2.68Å; N484-I486 VanDerWaalsContact O-N 3.14Å
487F28.3Very low31Very low142 Ų142128.3 Ų128.362%0.62368%0.683SS**  trans-85111.2174.8-75.4-86.5000111.1K485 S489K485-F487 HydrophobicContact CB-CD2 4.49Å; K485-F487 HydrophobicContact CB-CE2 4.05Å; K485-F487 HydrophobicContact CB-CZ 4.47Å; K485-F487 WeakPolarHBondContact O-CD2 3.15Å; K485-F487 PolarHBondContact O-N 2.94Å; F487-S489 PolarHBondContact O-N 2.8Å
488Y28Very low30.9Very low191 Ų191126.6 Ų126.675%0.74968%0.679SS**  trans-74.7116170.7-64.3-86.6000110.7H490Y488-H490 PolarHBondContact O-N 2.8Å
489S28.9Very low30.8Very low63 Ų63125 Ų12544%0.44167%0.67SS.*  trans-76.5113.4167.548.20000110.2F487 S491F487-S489 PolarHBondContact O-N 2.8Å; S489-S491 PolarHBondContact O-N 2.85Å
490H27Very low30.9Very low191 Ų191125 Ų12588%0.88467%0.674SS**  trans-66.7120.6178.6-63.2-64.6000112.1Y488Y488-H490 PolarHBondContact O-N 2.8Å
491S28.6Very low31.1Very low94 Ų94124.1 Ų124.166%0.65766%0.662SS**  trans-147.3160.7162.1104.90000110.2S489S489-S491 PolarHBondContact O-N 2.85Å
492P31.4Very low31.3Very low102 Ų102125.1 Ų125.166%0.66267%0.665SS**  trans-72.9142.4-134.5-21.433.1000116.9D494P492-D494 PolarHBondContact O-N 2.97Å; P492-D494 VanDerWaalsContact O-N 3.09Å
493K31.9Very low31.5Very low192 Ų192129.4 Ų129.484%0.83567%0.668SS**THydrogen-bonded Turntrans-65.5-9.2-175.7-75.1-176.9171.4-178.40116
494D31.5Very low31.5Very low125 Ų125126.3 Ų126.367%0.66867%0.672SS**THydrogen-bonded Turntrans-99.3-3.5-161.4-55.5-45.7000115.6P492P492-D494 PolarHBondContact O-N 2.97Å; P492-D494 VanDerWaalsContact O-N 3.09Å
495S34.1Very low31.6Very low90 Ų90127 Ų12763%0.62968%0.675SS**SBendtrans-92.8-27.8-173.266.20000115.6
496M32.4Very low31.9Very low124 Ų124130.3 Ų130.361%0.61169%0.689SS**SBendtrans-84.2-24.1-174.9-73.5-162.4-65.300114.9T466 N498 L499T466-M496 HydrophobicContact CG2-CE 4.23Å; T466-M496 HydrophobicContact CG2-SD 4.33Å; M496-N498 PolarHBondContact O-N 3.26Å; M496-L499 PolarHBondContact O-N 2.64Å
497I33.9Very low31.9Very low111 Ų111132.7 Ų132.757%0.56970%0.697SS**Hα-helixtrans-59.8-32-177.7-66174.2000111.4L499 V501I497-L499 PolarHBondContact O-N 2.84Å; I497-V501 WeakPolarHBondContact O-CG2 3.29Å
498N31.9Very low32Very low117 Ų117133.7 Ų133.763%0.62671%0.709SS**Hα-helixtrans-76-16.9-176.3-72.8-48.8000115.3M496 T502M496-N498 PolarHBondContact O-N 3.26Å; N498-T502 PolarHBondContact O-OG1 2.87Å
499L33.2Very low32.2Very low137 Ų137131.3 Ų131.372%0.71771%0.714SS**Hα-helixtrans-88.6-31.7177.2-109.680.5000113.4M496 I497 T502M496-L499 PolarHBondContact O-N 2.64Å; I497-L499 PolarHBondContact O-N 2.84Å; L499-T502 PolarHBondContact O-OG1 2.83Å
500A34.5Very low32.1Very low74 Ų74133.8 Ų133.861%0.61273%0.729SS**Hα-helixtrans-69.5-41.6177.700000111.6T502 R503A500-T502 VanDerWaalsContact C-N 3.26Å; A500-T502 PolarHBondContact O-N 2.88Å; A500-R503 PolarHBondContact O-N 2.89Å; A500-R503 VanDerWaalsContact O-N 3.15Å
501V35Very low32.1Very low111 Ų111132.3 Ų132.367%0.67373%0.728SS**Hα-helixtrans-61.2-32.1179.7174.50000112.3I497 R503I497-V501 WeakPolarHBondContact O-CG2 3.29Å; V501-R503 PolarHBondContact O-N 2.8Å
502T36.1Very low32.1Very low112 Ų112134.7 Ų134.769%0.68773%0.733SS**THydrogen-bonded Turntrans-69.6-5.1177.330.60000116N498 L499 A500N498-T502 PolarHBondContact O-OG1 2.87Å; L499-T502 PolarHBondContact O-OG1 2.83Å; A500-T502 VanDerWaalsContact C-N 3.26Å; A500-T502 PolarHBondContact O-N 2.88Å
503R33.9Very low31.7Very low213 Ų213136.2 Ų136.280%0.80474%0.736SS**THydrogen-bonded Turntrans-112.87.7-178.7-74.4-171.8173-176.6-1.7115.8A500 V501 I505A500-R503 PolarHBondContact O-N 2.89Å; A500-R503 VanDerWaalsContact O-N 3.15Å; V501-R503 PolarHBondContact O-N 2.8Å; R503-I505 VanDerWaalsContact C-N 3.25Å; R503-I505 PolarHBondContact O-N 2.97Å; R503-I505 VanDerWaalsContact O-N 3.09Å
504G29.5Very low31.4Very low71 Ų71133 Ų13373%0.73274%0.736SS**  trans68.610.5160.200000117.3
505I33.9Very low31.1Very low149 Ų149135.5 Ų135.576%0.76474%0.741SS**  trans-85.3115.3174.4-58.4177.7000108.2R503R503-I505 VanDerWaalsContact C-N 3.25Å; R503-I505 PolarHBondContact O-N 2.97Å; R503-I505 VanDerWaalsContact O-N 3.09Å
506K34.8Very low30.7Very low199 Ų199136.5 Ų136.587%0.86575%0.748SS**  trans-79.5119.7170.3-76.9-177.2173.7-179.20109.3
507E31.8Very low30.5Very low179 Ų179139 Ų13984%0.83675%0.751SS**  trans-69.3138.3172.2-63.9177.9154.900111
508N30.5Very low30.1Very low163 Ų163139.2 Ų139.287%0.87276%0.761SS**  trans-165.763170.2-110.8-4.1000111.2
509T30.7Very low30Very low140 Ų140137.2 Ų137.286%0.85975%0.75SS**  trans-149.4136.8164.313.70000110.4
510P27.9Very low29.7Very low116 Ų116135.7 Ų135.775%0.75375%0.75SS**  trans-87.2162.2-168.235-36.7000114N512P510-N512 PolarHBondContact O-N 2.82Å
511N26.8Very low29.6Very low160 Ų160136.2 Ų136.286%0.85674%0.742SS**  trans-32.1112.4170.7-67.9-22.4000114.4
512N27.7Very low29.6Very low144 Ų144132.8 Ų132.877%0.7772%0.722SS**  trans-160.1118154.1-101-27.7000111.7P510 C514P510-N512 PolarHBondContact O-N 2.82Å; N512-C514 PolarHBondContact O-N 3.08Å
513N24.9Very low29.7Very low134 Ų134130.5 Ų130.572%0.71771%0.709SS**  trans32.571.1151.2-58.5-11.9000118.6F515N513-F515 HydrophobicContact CB-CE2 4.41Å; N513-F515 PolarHBondContact O-N 3.29Å
514C25.5Very low30.4Very low123 Ų123123.2 Ų123.283%0.83169%0.686SS**  trans-84.799.1150.6-160.20000107.9N512 S516N512-C514 PolarHBondContact O-N 3.08Å; C514-S516 PolarHBondContact O-N 3.21Å
515F25.3Very low31.4Very low179 Ų179126.1 Ų126.179%0.78569%0.685SS**  trans-56.8104.7176.3-83.4-97.3000109.6N513 R517N513-F515 HydrophobicContact CB-CE2 4.41Å; N513-F515 PolarHBondContact O-N 3.29Å; F515-R517 VanDerWaalsContact C-N 3.32Å; F515-R517 PolarHBondContact O-N 3.38Å
516S25.3Very low32.7Very low111 Ų111121.1 Ų121.178%0.77666%0.66SS**  trans-65.698.2162.6-48.80000106.3C514 C518C514-S516 PolarHBondContact O-N 3.21Å; S516-C518 PolarHBondContact O-N 3.27Å
517R27.4Very low33.7Very low175 Ų175116.5 Ų116.566%0.6665%0.65SS**  trans-60.4129.4171.4-78.7-178.9170.5164.6-2106F515 I519 Y744F515-R517 VanDerWaalsContact C-N 3.32Å; F515-R517 PolarHBondContact O-N 3.38Å; R517-I519 PolarHBondContact O-N 2.83Å; R517-Y744 PolarHBondContact NH1-OH 2.66Å
518C26.4Very low35.6Very low116 Ų116108.3 Ų108.378%0.78461%0.612SS**  trans-63.2128.6174.8-70.80000107.3S516 S520S516-C518 PolarHBondContact O-N 3.27Å; C518-S520 VanDerWaalsContact C-N 3.3Å; C518-S520 PolarHBondContact O-N 3.34Å
519I28.7Very low37.5Very low76 Ų76101.7 Ų101.739%0.3958%0.577SS.*  trans-57.7102.6163.2-62173.5000105.7E459 R517 I521E459-I519 HydrophobicContact CB-CD1 4.01Å; E459-I519 HydrophobicContact CB-CG1 4.1Å; E459-I519 WeakPolarHBondContact OE2-CG1 3.3Å; R517-I519 PolarHBondContact O-N 2.83Å; I519-I521 PolarHBondContact O-N 2.8Å
520S27.3Very low39.3Very low105 Ų10598.9 Ų98.973%0.73456%0.559SS**  trans-66.2105.1169.953.50000106.5C518C518-S520 VanDerWaalsContact C-N 3.3Å; C518-S520 PolarHBondContact O-N 3.34Å
521I32.7Very low41Very low84 Ų8495.7 Ų95.743%0.43154%0.536SS..  trans-47.2133.8158.7-52.8167.4000105.3T472 I519 L524T472-I521 HydrophobicContact CG2-CD1 4Å; I519-I521 PolarHBondContact O-N 2.8Å; I521-L524 HydrophobicContact CG2-CD1 4.37Å; I521-L524 HydrophobicContact CG2-CG 4.45Å
522P35Very low42.8Very low40 Ų4089.9 Ų89.926%0.2651%0.507SS..  trans-51.3138.2170.227.5-38.9000107.3D449 L524D449-P522 WeakPolarHBondContact OD2-CD 3.4Å; D449-P522 VanDerWaalsContact OD2-CG 3.25Å; D449-P522 WeakPolarHBondContact OD2-CG 3.32Å; P522-L524 VanDerWaalsContact C-N 3.28Å; P522-L524 HydrophobicContact CG-CD2 4.13Å; P522-L524 HydrophobicContact CG-CG 4.41Å; P522-L524 WeakPolarHBondContact O-CG 3.34Å; P522-L524 PolarHBondContact O-N 2.94Å
523P38.4Very low44.6Very low64 Ų6484.7 Ų84.742%0.41648%0.477SS..  trans-61.794.5-179.922.9-31.8000109.3Y442 D525Y442-P523 HydrophobicContact CE1-CG 3.98Å; P523-D525 HydrophobicContact CB-CB 4.5Å; P523-D525 VanDerWaalsContact CB-OD2 3.26Å; P523-D525 WeakPolarHBondContact CB-OD2 3.46Å; P523-D525 PolarHBondContact O-N 3.32Å
524L48.8Very low46.5Very low60 Ų6080.4 Ų80.431%0.31446%0.456SS..  trans-76.625.6172.1-59.4-179.4000110.1I521 P522 N526 L529I521-L524 HydrophobicContact CG2-CD1 4.37Å; I521-L524 HydrophobicContact CG2-CG 4.45Å; P522-L524 VanDerWaalsContact C-N 3.28Å; P522-L524 HydrophobicContact CG-CD2 4.13Å; P522-L524 HydrophobicContact CG-CG 4.41Å; P522-L524 WeakPolarHBondContact O-CG 3.34Å; P522-L524 PolarHBondContact O-N 2.94Å; L524-N526 PolarHBondContact O-N 3.24Å; L524-L529 HydrophobicContact CD2-CD2 3.49Å; L524-L529 VanDerWaalsContact CD2-CD2 3.49Å; L524-L529 HydrophobicContact CD2-CG 4.46Å
525D49.9Very low48Very low132 Ų13274.6 Ų74.671%0.70642%0.417SS*.  trans-75.8-5.6-174.6-55.1-27.2000111.7P523 P527P523-D525 HydrophobicContact CB-CB 4.5Å; P523-D525 VanDerWaalsContact CB-OD2 3.26Å; P523-D525 WeakPolarHBondContact CB-OD2 3.46Å; P523-D525 PolarHBondContact O-N 3.32Å; D525-P527 WeakPolarHBondContact O-CD 3.41Å
526N60.1Low49.4Very low44 Ų4466.7 Ų66.724%0.23538%0.383CS..  trans-84.7113.8172.8-165.5-73000110.9I445 L524 S528 L529I445-N526 HydrophobicContact CD1-CB 3.78Å; I445-N526 VanDerWaalsContact CD1-ND2 3.31Å; I445-N526 WeakPolarHBondContact CD1-ND2 3.21Å; L524-N526 PolarHBondContact O-N 3.24Å; N526-S528 PolarHBondContact O-N 3.33Å; N526-S528 WeakPolarHBondContact OD1-CB 3.24Å; N526-S528 PolarHBondContact OD1-N 2.61Å; N526-L529 WeakPolarHBondContact O-CB 3.43Å; N526-L529 PolarHBondContact O-N 2.97Å
527P57.6Low50.3Low101 Ų10163.7 Ų63.766%0.65636%0.358SS*.THydrogen-bonded Turntrans-67.9-11.6-175.628.8-36.7000113.9D525 L529 T582D525-P527 WeakPolarHBondContact O-CD 3.41Å; P527-L529 VanDerWaalsContact C-N 3.34Å; P527-T582 HydrophobicContact CG-CG2 4.22Å
528S71.1Confident51.1Low8 Ų855.6 Ų55.66%0.05633%0.328CS..THydrogen-bonded Turntrans-80.5-13.1173.1-56.70000112.9N526 V530 W562 S563N526-S528 PolarHBondContact O-N 3.33Å; N526-S528 WeakPolarHBondContact OD1-CB 3.24Å; N526-S528 PolarHBondContact OD1-N 2.61Å; S528-V530 PolarHBondContact O-N 3.08Å; S528-W562 CarbonylContact O-C 3.16Å; S528-W562 VanDerWaalsContact O-CA 3.28Å; S528-W562 WeakPolarHBondContact O-CA 3.47Å; S528-S563 VanDerWaalsContact CB-O 3.24Å; S528-S563 WeakPolarHBondContact CB-O 3.27Å; S528-S563 PolarHBondContact O-N 2.8Å
529L69.6Low51.6Low23 Ų2351.5 Ų51.512%0.1230%0.301CS..EExtended strand (participates in β ladder)trans-87.280.7174.9-170.861.6000109.7I445 L447 L524 N526 P527 D531 T560 I561 W562I445-L529 HydrophobicContact CG2-CD2 4.43Å; L447-L529 HydrophobicContact CD2-CD1 4.4Å; L524-L529 HydrophobicContact CD2-CD2 3.49Å; L524-L529 VanDerWaalsContact CD2-CD2 3.49Å; L524-L529 HydrophobicContact CD2-CG 4.46Å; N526-L529 WeakPolarHBondContact O-CB 3.43Å; N526-L529 PolarHBondContact O-N 2.97Å; P527-L529 VanDerWaalsContact C-N 3.34Å; L529-D531 PolarHBondContact O-N 3.05Å; L529-T560 HydrophobicContact CD1-CG2 4.29Å; L529-I561 CarbonylContact C-O 3.5Å; L529-W562 HydrophobicContact CD1-CB 4.47Å
530V68.5Low52.2Low82 Ų8250.3 Ų50.350%0.49730%0.297SS..EExtended strand (participates in β ladder)trans-75.4-22.2-164.5-58.40000115.1S528 I561 S563S528-V530 PolarHBondContact O-N 3.08Å; V530-I561 HydrophobicContact CG2-CB 3.84Å; V530-I561 HydrophobicContact CG2-CG2 3.63Å; V530-I561 WeakPolarHBondContact CG2-O 3.42Å; V530-I561 PolarHBondContact N-O 3.49Å; V530-S563 WeakPolarHBondContact CG2-OG 3.48Å
531D64.9Low53.4Low49 Ų4945.9 Ų45.926%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-150.8145.7177.3-168.38.8000111.1L529 R533 T560 I561L529-D531 PolarHBondContact O-N 3.05Å; D531-R533 IonicContact OD1-NE 2.98Å; D531-R533 IonicContact OD2-CZ 3.82Å; D531-R533 IonicContact OD2-NE 3.89Å; D531-R533 PolarHBondContact OD2-NE 3.05Å; D531-R533 IonicContact OD2-NH2 3.76Å; D531-R533 PolarHBondContact OD2-NH2 3.34Å; D531-T560 WeakPolarHBondContact O-CA 3.46Å; D531-I561 HydrophobicContact CB-CB 4.08Å; D531-I561 HydrophobicContact CB-CD1 3.78Å; D531-I561 HydrophobicContact CB-CG1 3.96Å; D531-I561 PolarHBondContact N-O 3.38Å; D531-I561 PolarHBondContact O-N 3.36Å
532C64.6Low54.9Low37 Ų3742.4 Ų42.425%0.2525%0.248CC..EExtended strand (participates in β ladder)trans-143.7121.3172.5-1770000109.3I559 T560C532-I559 CarbonylContact C-O 3.47Å; C532-I559 WeakPolarHBondContact CA-O 3.29Å; C532-T560 HydrophobicContact CB-CG2 4.08Å
533R65.4Low56.9Low35 Ų3541 Ų4113%0.13224%0.238CC..EExtended strand (participates in β ladder)trans-121.8110.3-178.2-50.5-175.5-169.4166.711.7108.8D531 G535 S558 I559 C669 W680D531-R533 IonicContact OD1-NE 2.98Å; D531-R533 IonicContact OD2-CZ 3.82Å; D531-R533 IonicContact OD2-NE 3.89Å; D531-R533 PolarHBondContact OD2-NE 3.05Å; D531-R533 IonicContact OD2-NH2 3.76Å; D531-R533 PolarHBondContact OD2-NH2 3.34Å; R533-G535 PolarHBondContact O-N 3.35Å; R533-S558 CarbonylContact O-C 3.44Å; R533-S558 VanDerWaalsContact O-CA 3.22Å; R533-S558 WeakPolarHBondContact O-CA 3.37Å; R533-I559 HydrophobicContact CB-CB 4.49Å; R533-I559 PolarHBondContact N-O 3.01Å; R533-I559 PolarHBondContact O-N 3.07Å; R533-C669 PolarHBondContact NH1-SG 2.64Å; R533-C669 PolarHBondContact NH2-SG 3.33Å; R533-W680 HydrophobicContact CB-CD2 4.38Å; R533-W680 HydrophobicContact CB-CE3 3.99Å; R533-W680 HydrophobicContact CB-CH2 3.46Å; R533-W680 VanDerWaalsContact CB-CH2 3.46Å; R533-W680 HydrophobicContact CB-CZ2 3.96Å; R533-W680 HydrophobicContact CB-CZ3 3.52Å
534V63.5Low58.9Low45 Ų4538.2 Ų38.227%0.27322%0.22SC..  trans-78.3120.3177.2-1780000109.6L451 C536L451-V534 HydrophobicContact CD1-CG1 4.03Å; L451-V534 HydrophobicContact CD1-CG2 3.7Å; V534-C536 PolarHBondContact O-N 2.79Å
535G58.4Low60.3Low1 Ų135.3 Ų35.31%0.0121%0.205CC..  trans-74.6105173.900000110.2R533 L556 P557 S558R533-G535 PolarHBondContact O-N 3.35Å; G535-L556 WeakPolarHBondContact CA-O 3.31Å; G535-P557 WeakPolarHBondContact CA-O 3.46Å; G535-S558 PolarHBondContact N-OG 2.81Å
536C53.5Low61.2Low12 Ų1230 Ų308%0.08118%0.177CC..SBendtrans67.1-167.8165.7-43.20000114.3V534 S538 R542 L553 L556V534-C536 PolarHBondContact O-N 2.79Å; C536-S538 PolarHBondContact O-N 2.83Å; C536-R542 VanDerWaalsContact CB-NH1 3.28Å; C536-L553 VanDerWaalsContact CB-O 3.24Å; C536-L553 WeakPolarHBondContact CB-O 3.32Å; C536-L553 PolarHBondContact SG-O 3.21Å; C536-L556 PolarHBondContact SG-O 3.17Å; C536-L556 VanDerWaalsContact SG-O 3.42Å
537L45.5Very low61.2Low49 Ų4930.1 Ų30.126%0.25718%0.177SC..  trans-70122.2179.7-46.9-176.5000110.4L464 S539 R542L464-L537 HydrophobicContact CD1-CB 4.26Å; L464-L537 HydrophobicContact CD1-CD1 4.29Å; L464-L537 HydrophobicContact CD1-CD2 3.48Å; L464-L537 VanDerWaalsContact CD1-CD2 3.48Å; L464-L537 HydrophobicContact CD1-CG 4.19Å; L464-L537 HydrophobicContact CD2-CD2 4.16Å; L464-L537 HydrophobicContact CG-CD2 4.45Å; L537-S539 PolarHBondContact O-N 2.64Å; L537-S539 VanDerWaalsContact O-N 3.14Å; L537-R542 VanDerWaalsContact N-NH2 3.18Å; L537-R542 PolarHBondContact O-NE 3.41Å; L537-R542 VanDerWaalsContact O-NE 3.08Å; L537-R542 PolarHBondContact O-NH2 3.3Å
538S44.3Very low60.9Low4 Ų431.7 Ų31.73%0.02818%0.176CC..THydrogen-bonded Turntrans-65.5-15.5-173.4129.90000114.6L451 C536 V540L451-S538 CarbonylContact O-C 3.53Å; L451-S538 WeakPolarHBondContact O-CB 3.43Å; L451-S538 PolarHBondContact O-OG 3.07Å; C536-S538 PolarHBondContact O-N 2.83Å; S538-V540 VanDerWaalsContact C-N 3.34Å; S538-V540 PolarHBondContact O-N 2.69Å
539S36.7Very low59.7Low30 Ų3034.8 Ų34.821%0.2119%0.194CC..THydrogen-bonded Turntrans-8920-16665.80000116.8V461 L537V461-S539 VanDerWaalsContact CG2-OG 3.25Å; V461-S539 WeakPolarHBondContact CG2-OG 3.31Å; L537-S539 PolarHBondContact O-N 2.64Å; L537-S539 VanDerWaalsContact O-N 3.14Å
540V41.2Very low58.3Low51 Ų5135.4 Ų35.431%0.30920%0.202SC..SBendtrans-135.8127.4179.2-173.20000106.6S538 R542S538-V540 VanDerWaalsContact C-N 3.34Å; S538-V540 PolarHBondContact O-N 2.69Å; V540-R542 VanDerWaalsContact C-N 3.33Å; V540-R542 WeakPolarHBondContact O-CG 3.35Å; V540-R542 PolarHBondContact O-N 2.74Å
541S51.4Low57.1Low12 Ų1238.2 Ų38.28%0.08422%0.22CC..  trans-60.896.8168.853.20000108.3Y735S541-Y735 VanDerWaalsContact OG-CD1 3.25Å; S541-Y735 WeakPolarHBondContact OG-CD1 3.35Å
542R64Low56Low12 Ų1239.3 Ų39.35%0.04524%0.243CC..  trans-86.4137.5-177.5-69.6153.7-174.7-67-16.9109.4V273 G274 C536 L537 V540 N554V273-R542 HydrophobicContact CG1-CB 3.54Å; V273-R542 WeakPolarHBondContact CG1-O 3.45Å; G274-R542 WeakPolarHBondContact CA-O 3.1Å; G274-R542 PolarHBondContact N-O 2.93Å; C536-R542 VanDerWaalsContact CB-NH1 3.28Å; L537-R542 VanDerWaalsContact N-NH2 3.18Å; L537-R542 PolarHBondContact O-NE 3.41Å; L537-R542 VanDerWaalsContact O-NE 3.08Å; L537-R542 PolarHBondContact O-NH2 3.3Å; V540-R542 VanDerWaalsContact C-N 3.33Å; V540-R542 WeakPolarHBondContact O-CG 3.35Å; V540-R542 PolarHBondContact O-N 2.74Å; R542-N554 VanDerWaalsContact NH1-CA 3.27Å; R542-N554 VanDerWaalsContact NH1-CB 3.34Å; R542-N554 PolarHBondContact NH1-OD1 2.86Å; R542-N554 PolarHBondContact NH2-OD1 2.61Å; R542-N554 VanDerWaalsContact NH2-OD1 3.08Å
543S77.1Confident55Low9 Ų940.3 Ų40.36%0.06325%0.245CC..  trans-131.7161.4162.897.60000110H188 T256 G545 D546H188-S543 VanDerWaalsContact CE1-CB 3.42Å; H188-S543 WeakPolarHBondContact CE1-CB 3.49Å; H188-S543 PolarHBondContact CE1-OG 3.42Å; T256-S543 PolarHBondContact N-OG 3.26Å; T256-S543 CarbonylContact O-C 3.56Å; T256-S543 WeakPolarHBondContact O-CA 3.16Å; T256-S543 VanDerWaalsContact O-CB 3.25Å; T256-S543 WeakPolarHBondContact O-CB 3.41Å; S543-G545 PolarHBondContact O-N 2.69Å; S543-D546 WeakPolarHBondContact CB-OD2 3.43Å; S543-D546 PolarHBondContact N-OD2 2.89Å; S543-D546 PolarHBondContact O-N 3.42Å; S543-D546 PolarHBondContact OG-OD2 2.9Å
544I81.9Confident54.3Low6 Ų639.8 Ų39.83%0.03125%0.245CC..BIsolated β-bridgetrans-64.9116.4168-58.1-175.4000107.6F236 L239 N240 V243 G255 T256 A258F236-I544 HydrophobicContact CD1-CD1 4.2Å; L239-I544 HydrophobicContact CB-CD1 4.1Å; L239-I544 HydrophobicContact CB-CG2 4.4Å; L239-I544 HydrophobicContact CD1-CD1 4.01Å; N240-I544 HydrophobicContact CB-CG2 4.08Å; V243-I544 HydrophobicContact CB-CG2 4.18Å; V243-I544 HydrophobicContact CG2-CG2 3.85Å; G255-I544 WeakPolarHBondContact CA-O 3.45Å; T256-I544 HydrophobicContact CG2-CB 4.18Å; T256-I544 PolarHBondContact N-O 3.39Å; T256-I544 PolarHBondContact O-N 3.15Å; A258-I544 HydrophobicContact CB-CD1 3.56Å; A258-I544 HydrophobicContact CB-CG1 4.26Å
545G77.2Confident53.9Low0 Ų038.9 Ų38.90%024%0.242CC..THydrogen-bonded Turntrans111.3-4.6-174.100000115.8N240 R247 S543 D547N240-G545 PolarHBondContact OD1-N 2.77Å; R247-G545 PolarHBondContact NH1-O 3.02Å; R247-G545 PolarHBondContact NH2-O 2.93Å; S543-G545 PolarHBondContact O-N 2.69Å; G545-D547 VanDerWaalsContact C-N 3.33Å; G545-D547 PolarHBondContact O-N 3.06Å
546D68.2Low54.2Low21 Ų2140.4 Ų40.411%0.11225%0.25CC..  trans-94.326-178-65.4-38.6000114.9H188 S543 E548 T549H188-D546 IonicContact CE1-OD2 2.66Å; H188-D546 PolarHBondContact CE1-OD2 3.03Å; H188-D546 IonicContact NE2-OD1 3.47Å; H188-D546 IonicContact NE2-OD2 2.82Å; S543-D546 WeakPolarHBondContact CB-OD2 3.43Å; S543-D546 PolarHBondContact N-OD2 2.89Å; S543-D546 PolarHBondContact O-N 3.42Å; S543-D546 PolarHBondContact OG-OD2 2.9Å; D546-E548 PolarHBondContact O-N 3.23Å; D546-T549 PolarHBondContact O-N 3.16Å; D546-T549 PolarHBondContact O-OG1 3.35Å
547D60.1Low55.4Low45 Ų4539.8 Ų39.824%0.24125%0.246CC..G310 helixtrans-60.2-15.6-176.1-86.30.6000115.7N240 N244 G545 T549N240-D547 PolarHBondContact ND2-OD1 3.08Å; N240-D547 PolarHBondContact ND2-OD2 3.14Å; N244-D547 PolarHBondContact ND2-OD2 2.86Å; G545-D547 VanDerWaalsContact C-N 3.33Å; G545-D547 PolarHBondContact O-N 3.06Å; D547-T549 PolarHBondContact O-N 2.8Å; D547-T549 VanDerWaalsContact O-N 3.11Å
548E52.6Low57Low135 Ų13537.5 Ų37.563%0.63123%0.234SC*.G310 helixtrans-62.8-15.5175.9-66.2-179.2-157.400112.4R247 D546R247-E548 IonicContact NH1-OE1 3.42Å; D546-E548 PolarHBondContact O-N 3.23Å
549T45.6Very low58.8Low73 Ų7337.3 Ų37.345%0.44823%0.233SC..G310 helixtrans-85.2-30.7-175.556.70000115.5D546 D547 N554D546-T549 PolarHBondContact O-N 3.16Å; D546-T549 PolarHBondContact O-OG1 3.35Å; D547-T549 PolarHBondContact O-N 2.8Å; D547-T549 VanDerWaalsContact O-N 3.11Å; T549-N554 PolarHBondContact OG1-ND2 2.87Å
550A40.5Very low60.9Low35 Ų3536.1 Ų36.129%0.28922%0.224SC..SBendtrans-166.9105.4169.100000112.6G552 N554A550-G552 PolarHBondContact O-N 3.4Å; A550-N554 PolarHBondContact N-ND2 3.36Å
551V43.2Very low63Low142 Ų14233.9 Ų33.986%0.86121%0.21SC*.THydrogen-bonded Turntrans-63.3123.5-177.7-176.40000111.8L553V551-L553 VanDerWaalsContact C-N 3.27Å; V551-L553 PolarHBondContact O-N 2.78Å
552G41.9Very low64.8Low72 Ų7233.3 Ų33.374%0.74221%0.206SC*.THydrogen-bonded Turntrans85.3-27.5172.400000115.5A550A550-G552 PolarHBondContact O-N 3.4Å
553L42.7Very low66Low58 Ų5834 Ų3430%0.30421%0.213SC..THydrogen-bonded Turntrans-86.8-6.4176.5-96.9172.6000114.2C536 V551 V690C536-L553 VanDerWaalsContact CB-O 3.24Å; C536-L553 WeakPolarHBondContact CB-O 3.32Å; C536-L553 PolarHBondContact SG-O 3.21Å; V551-L553 VanDerWaalsContact C-N 3.27Å; V551-L553 PolarHBondContact O-N 2.78Å; L553-V690 HydrophobicContact CD1-CG2 4.29Å; L553-V690 HydrophobicContact CD2-CG2 3.5Å; L553-V690 VanDerWaalsContact CD2-CG2 3.5Å; L553-V690 HydrophobicContact CG-CG2 3.94Å
554N50.1Low66.4Low23 Ų2334.1 Ų34.112%0.12322%0.215CC..SBendtrans-108.9-2.5-173.5-76.7-5.4000115.7R542 T549 A550 L556R542-N554 VanDerWaalsContact NH1-CA 3.27Å; R542-N554 VanDerWaalsContact NH1-CB 3.34Å; R542-N554 PolarHBondContact NH1-OD1 2.86Å; R542-N554 PolarHBondContact NH2-OD1 2.61Å; R542-N554 VanDerWaalsContact NH2-OD1 3.08Å; T549-N554 PolarHBondContact OG1-ND2 2.87Å; A550-N554 PolarHBondContact N-ND2 3.36Å; N554-L556 PolarHBondContact O-N 3.18Å
555A55.7Low66.2Low27 Ų2735.1 Ų35.122%0.22322%0.222CC..  trans-84-0.9-164.600000116
556L65.6Low65.8Low32 Ų3242.1 Ų42.117%0.16825%0.254CS..PPolyproline II helixtrans-101.5128.1-177.6-55-170.9000111.2G535 C536 N554 V678 W680G535-L556 WeakPolarHBondContact CA-O 3.31Å; C536-L556 PolarHBondContact SG-O 3.17Å; C536-L556 VanDerWaalsContact SG-O 3.42Å; N554-L556 PolarHBondContact O-N 3.18Å; L556-V678 HydrophobicContact CD2-CB 4.19Å; L556-V678 HydrophobicContact CD2-CG1 3.4Å; L556-V678 VanDerWaalsContact CD2-CG1 3.4Å; L556-V678 HydrophobicContact CD2-CG2 4Å; L556-W680 HydrophobicContact CB-CH2 4.49Å; L556-W680 HydrophobicContact CD1-CD2 4.27Å; L556-W680 HydrophobicContact CD1-CE3 4.02Å; L556-W680 HydrophobicContact CD1-CZ3 4.28Å
557P78.9Confident65.1Low0 Ų049.6 Ų49.60%029%0.289CS..PPolyproline II helixtrans-65.4159.1164.931.3-34.6000110.1A233 F236 A271 W272 V273 G535 I559 W680A233-P557 HydrophobicContact CB-CG 4.18Å; F236-P557 HydrophobicContact CB-CB 4.23Å; F236-P557 HydrophobicContact CB-CG 3.86Å; F236-P557 HydrophobicContact CD1-CB 3.61Å; F236-P557 HydrophobicContact CD1-CG 4.17Å; F236-P557 HydrophobicContact CD2-CB 4.23Å; F236-P557 HydrophobicContact CD2-CG 4.12Å; F236-P557 HydrophobicContact CE1-CB 3.88Å; F236-P557 HydrophobicContact CE2-CB 4.49Å; F236-P557 HydrophobicContact CG-CB 3.77Å; F236-P557 HydrophobicContact CG-CG 3.8Å; F236-P557 HydrophobicContact CZ-CB 4.32Å; A271-P557 HydrophobicContact CB-CB 4.4Å; A271-P557 HydrophobicContact CB-CG 4.48Å; W272-P557 CarbonylContact O-C 3.6Å; W272-P557 WeakPolarHBondContact O-CA 3.33Å; W272-P557 WeakPolarHBondContact O-CB 3.33Å; V273-P557 HydrophobicContact CG2-CB 3.86Å; G535-P557 WeakPolarHBondContact CA-O 3.46Å; P557-I559 HydrophobicContact CG-CD1 4.47Å; P557-I559 HydrophobicContact CG-CG1 4.35Å; P557-W680 WeakPolarHBondContact O-CH2 3.49Å; P557-W680 WeakPolarHBondContact O-CZ2 3.32Å
558S78.4Confident64.2Low1 Ų153 Ų531%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-75.1149.6159.7-54.20000109.3A271 W272 H452 R533 G535A271-S558 CarbonylContact C-O 3.35Å; A271-S558 VanDerWaalsContact CA-O 3.25Å; A271-S558 WeakPolarHBondContact CA-O 3.21Å; W272-S558 VanDerWaalsContact CH2-CB 3.45Å; W272-S558 PolarHBondContact N-O 3.29Å; W272-S558 PolarHBondContact O-N 2.55Å; H452-S558 PolarHBondContact NE2-OG 3.44Å; R533-S558 CarbonylContact O-C 3.44Å; R533-S558 VanDerWaalsContact O-CA 3.22Å; R533-S558 WeakPolarHBondContact O-CA 3.37Å; G535-S558 PolarHBondContact N-OG 2.81Å
559I81.1Confident63.3Low0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-136.4135.7179.4-60.9-175.1000110.7P229 L232 A233 T270 A271 C532 R533 P557 I561 W680P229-I559 HydrophobicContact CB-CD1 4.06Å; P229-I559 HydrophobicContact CB-CG2 4.24Å; P229-I559 VanDerWaalsContact O-CD1 3.31Å; P229-I559 WeakPolarHBondContact O-CD1 3.4Å; L232-I559 HydrophobicContact CB-CD1 4.39Å; A233-I559 HydrophobicContact CB-CD1 4.12Å; T270-I559 CarbonylContact O-C 3.59Å; T270-I559 WeakPolarHBondContact O-CA 3.4Å; A271-I559 HydrophobicContact CB-CD1 4.37Å; A271-I559 HydrophobicContact CB-CG1 3.9Å; C532-I559 CarbonylContact C-O 3.47Å; C532-I559 WeakPolarHBondContact CA-O 3.29Å; R533-I559 HydrophobicContact CB-CB 4.49Å; R533-I559 PolarHBondContact N-O 3.01Å; R533-I559 PolarHBondContact O-N 3.07Å; P557-I559 HydrophobicContact CG-CD1 4.47Å; P557-I559 HydrophobicContact CG-CG1 4.35Å; I559-I561 HydrophobicContact CG2-CG1 4.38Å; I559-W680 HydrophobicContact CB-CZ2 4.38Å; I559-W680 HydrophobicContact CD1-CZ2 3.81Å; I559-W680 HydrophobicContact CG1-CZ2 3.91Å
560T81.7Confident62.8Low5 Ų560.1 Ų60.13%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-119.6152.2164.946.90000110.4C269 T270 W272 L447 L529 D531 C532C269-T560 WeakPolarHBondContact CA-O 3.03Å; T270-T560 WeakPolarHBondContact CB-OG1 3.26Å; T270-T560 PolarHBondContact N-O 3.25Å; T270-T560 PolarHBondContact O-N 3.27Å; W272-T560 HydrophobicContact CH2-CG2 3.94Å; W272-T560 HydrophobicContact CZ3-CG2 3.88Å; L447-T560 WeakPolarHBondContact O-CB 3.22Å; L447-T560 VanDerWaalsContact O-CG2 3.26Å; L447-T560 WeakPolarHBondContact O-CG2 3.34Å; L447-T560 PolarHBondContact O-OG1 3.42Å; L529-T560 HydrophobicContact CD1-CG2 4.29Å; D531-T560 WeakPolarHBondContact O-CA 3.46Å; C532-T560 HydrophobicContact CB-CG2 4.08Å
561I84.8Confident62.3Low3 Ų363.7 Ų63.72%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-127.7115.3175.5-49.3179.3000107.5P229 L529 V530 D531 I559 V667P229-I561 HydrophobicContact CG-CD1 3.49Å; P229-I561 VanDerWaalsContact CG-CD1 3.49Å; P229-I561 HydrophobicContact CG-CG1 4.19Å; L529-I561 CarbonylContact C-O 3.5Å; V530-I561 HydrophobicContact CG2-CB 3.84Å; V530-I561 HydrophobicContact CG2-CG2 3.63Å; V530-I561 WeakPolarHBondContact CG2-O 3.42Å; V530-I561 PolarHBondContact N-O 3.49Å; D531-I561 HydrophobicContact CB-CB 4.08Å; D531-I561 HydrophobicContact CB-CD1 3.78Å; D531-I561 HydrophobicContact CB-CG1 3.96Å; D531-I561 PolarHBondContact N-O 3.38Å; D531-I561 PolarHBondContact O-N 3.36Å; I559-I561 HydrophobicContact CG2-CG1 4.38Å; I561-V667 HydrophobicContact CD1-CB 4.22Å; I561-V667 HydrophobicContact CG2-CB 4.24Å; I561-V667 HydrophobicContact CG2-CG1 4.26Å
562W89.2Confident61.8Low0 Ų064 Ų640%035%0.348CS..EExtended strand (participates in β ladder)trans-102.5136.4168.5-178.693000109.1T267 I268 L280 F282 L447 S528 L529 A564 P585 W657T267-W562 CarbonylContact C-O 3.49Å; T267-W562 VanDerWaalsContact CA-O 3.32Å; T267-W562 WeakPolarHBondContact CA-O 3.37Å; I268-W562 HydrophobicContact CB-CB 4.42Å; I268-W562 HydrophobicContact CB-CE3 4.41Å; I268-W562 HydrophobicContact CD1-CE3 3.77Å; I268-W562 HydrophobicContact CD1-CZ3 4.13Å; I268-W562 HydrophobicContact CG1-CE3 3.9Å; I268-W562 HydrophobicContact CG1-CZ3 4.4Å; I268-W562 PolarHBondContact N-O 2.94Å; I268-W562 PolarHBondContact O-N 2.97Å; L280-W562 HydrophobicContact CD2-CD2 3.56Å; L280-W562 VanDerWaalsContact CD2-CE2 3.47Å; L280-W562 HydrophobicContact CD2-CE3 4.2Å; L280-W562 HydrophobicContact CD2-CG 3.72Å; L280-W562 HydrophobicContact CD2-CZ2 4.04Å; F282-W562 HydrophobicContact CE1-CZ2 4.21Å; F282-W562 HydrophobicContact CZ-CZ2 4.14Å; F282-W562 AromaticContact CZ-NE1 3.92Å; L447-W562 HydrophobicContact CD2-CB 4.15Å; S528-W562 CarbonylContact O-C 3.16Å; S528-W562 VanDerWaalsContact O-CA 3.28Å; S528-W562 WeakPolarHBondContact O-CA 3.47Å; L529-W562 HydrophobicContact CD1-CB 4.47Å; W562-A564 VanDerWaalsContact CH2-CA 3.45Å; W562-A564 HydrophobicContact CH2-CB 3.73Å; W562-A564 HydrophobicContact CZ3-CB 3.76Å; W562-P585 HydrophobicContact CH2-CG 3.81Å; W562-P585 HydrophobicContact CZ2-CG 4.18Å; W562-P585 HydrophobicContact CZ3-CG 4.42Å; W562-W657 HydrophobicContact CH2-CZ3 4.3Å; W562-W657 AromaticContact CZ3-CH2 3.86Å; W562-W657 HydrophobicContact CZ3-CH2 3.86Å; W562-W657 AromaticContact CZ3-CZ3 3.69Å; W562-W657 HydrophobicContact CZ3-CZ3 3.69Å
563S88.6Confident61.3Low26 Ų2667.8 Ų67.818%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-123.4130.9178-57.30000109.9S528 V530S528-S563 VanDerWaalsContact CB-O 3.24Å; S528-S563 WeakPolarHBondContact CB-O 3.27Å; S528-S563 PolarHBondContact O-N 2.8Å; V530-S563 WeakPolarHBondContact CG2-OG 3.48Å
564A87.2Confident61.2Low12 Ų1274.6 Ų74.610%0.09938%0.376CS..PPolyproline II helixtrans-61.1134.4176.500000110.1D266 W562 M584 P659D266-A564 HydrophobicContact CB-CB 4.18Å; D266-A564 WeakPolarHBondContact O-CB 3.21Å; D266-A564 PolarHBondContact O-N 3.35Å; W562-A564 VanDerWaalsContact CH2-CA 3.45Å; W562-A564 HydrophobicContact CH2-CB 3.73Å; W562-A564 HydrophobicContact CZ3-CB 3.76Å; A564-M584 HydrophobicContact CB-CE 4.23Å; A564-M584 HydrophobicContact CB-SD 4.43Å; A564-P659 HydrophobicContact CB-CB 3.7Å; A564-P659 HydrophobicContact CB-CG 3.65Å
565P77.6Confident60.2Low28 Ų2884.4 Ų84.418%0.18241%0.411CS..PPolyproline II helixtrans-61.6138.5-179.725.9-37.7000111.7Q567 T582 M584P565-Q567 PolarHBondContact O-N 3.35Å; P565-T582 WeakPolarHBondContact CB-OG1 3.25Å; P565-T582 WeakPolarHBondContact CG-O 3.37Å; P565-T582 WeakPolarHBondContact CG-OG1 3.08Å; P565-M584 HydrophobicContact CG-CE 3.5Å; P565-M584 VanDerWaalsContact CG-CE 3.5Å
566E67.7Low59Low146 Ų14690.7 Ų90.768%0.68244%0.441SS*.PPolyproline II helixtrans-59.8132.6174.4-69.8-166.6146.700110.8Q568E566-Q568 HydrophobicContact CB-CG 4.04Å; E566-Q568 PolarHBondContact O-N 3.22Å; E566-Q568 PolarHBondContact OE2-NE2 2.93Å
567Q54Low57.5Low179 Ų17997.4 Ų97.484%0.83647%0.469SS*.  trans-73.767.6171-67-174.5-600110.8P565 Q569P565-Q567 PolarHBondContact O-N 3.35Å; Q567-Q569 PolarHBondContact O-N 3.02Å
568Q40.4Very low55.4Low117 Ų117104.6 Ų104.655%0.54751%0.506SS..  trans-70116.7173.1-65.4-172.32.300109.4E566 Q570E566-Q568 HydrophobicContact CB-CG 4.04Å; E566-Q568 PolarHBondContact O-N 3.22Å; E566-Q568 PolarHBondContact OE2-NE2 2.93Å; Q568-Q570 HydrophobicContact CB-CG 4.02Å; Q568-Q570 PolarHBondContact O-N 3.45Å; Q568-Q570 VanDerWaalsContact OE1-NE2 3.09Å
569Q33.9Very low53.3Low197 Ų197110.6 Ų110.692%0.92154%0.537SS*.  trans-70.376.8168.6-67.2-179.71.300109.3Q567 S571Q567-Q569 PolarHBondContact O-N 3.02Å; Q569-S571 PolarHBondContact O-N 3.16Å
570Q35.4Very low51.4Low159 Ų159115.3 Ų115.374%0.74355%0.554SS**  trans-78101.8177.2-68.1-169.34.500110.3Q568 M572Q568-Q570 HydrophobicContact CB-CG 4.02Å; Q568-Q570 PolarHBondContact O-N 3.45Å; Q568-Q570 VanDerWaalsContact OE1-NE2 3.09Å; Q570-M572 PolarHBondContact O-N 2.81Å
571S31.4Very low49.6Very low110 Ų110121.4 Ų121.477%0.76959%0.592SS**  trans-74.9118.4168.361.10000110.7Q569Q569-S571 PolarHBondContact O-N 3.16Å
572M31.5Very low48.2Very low149 Ų149123.8 Ų123.873%0.73461%0.607SS**SBendtrans47.3130.3142.5-75.5-87.6-94.500120.5Q570Q570-M572 PolarHBondContact O-N 2.81Å
573H32.6Very low47.4Very low152 Ų152125.9 Ų125.970%0.70462%0.621SS**  trans8086.2161.5-48.1-53.2000118.1
574H38.6Very low47.3Very low200 Ų200127.6 Ų127.693%0.92663%0.627SS**  -155.4149.8109.7-103-73.6000111.1
575R30.9Very low47.5Very low229 Ų229127.2 Ų127.286%0.86462%0.623SS**  trans-75.7150.7-176.8-79.2174.5166.3150.2-6.9112.1
576N30.1Very low48.2Very low160 Ų160126.1 Ų126.186%0.85662%0.616SS**SBendtrans73.858.9157.7-58.94000119.2
577K33.1Very low49.5Very low172 Ų172119.1 Ų119.175%0.74858%0.583SS**  trans-158122.9131.4-156.2175.7-178.7-170.40108.4I579K577-I579 VanDerWaalsContact C-N 3.26Å; K577-I579 PolarHBondContact O-N 3.48Å
578I34.7Very low51.5Low152 Ų152110.6 Ų110.678%0.77954%0.544SS*.  trans-78.481.7178.6-54.6175.7000108.2R580I578-R580 HydrophobicContact CG2-CG 3.61Å; I578-R580 PolarHBondContact O-N 3.05Å
579I35.7Very low54.1Low127 Ų127105 Ų10565%0.65152%0.518SS*.  trans-75.289.3161.7-59.7174.7000105.2K577 T581K577-I579 VanDerWaalsContact C-N 3.26Å; K577-I579 PolarHBondContact O-N 3.48Å; I579-T581 PolarHBondContact O-N 3.14Å
580R41.1Very low57.1Low98 Ų9895.7 Ų95.737%0.3747%0.474SS..  trans-57.2127.3179.4-68.1-167.6-173-156.813.3108.1T285 N286 E441 I578 T582T285-R580 PolarHBondContact OG1-NH1 2.72Å; N286-R580 PolarHBondContact OD1-NH1 2.94Å; E441-R580 VanDerWaalsContact CD-CZ 3.41Å; E441-R580 VanDerWaalsContact CD-NH2 3.27Å; E441-R580 IonicContact OE1-CZ 3.8Å; E441-R580 IonicContact OE1-NE 3.69Å; E441-R580 PolarHBondContact OE1-NE 3.4Å; E441-R580 IonicContact OE1-NH1 3.85Å; E441-R580 PolarHBondContact OE1-NH1 2.92Å; E441-R580 IonicContact OE1-NH2 2.94Å; E441-R580 PolarHBondContact OE1-NH2 3.12Å; E441-R580 IonicContact OE2-CZ 2.65Å; E441-R580 IonicContact OE2-NH1 2.82Å; E441-R580 PolarHBondContact OE2-NH1 3.36Å; E441-R580 IonicContact OE2-NH2 3.89Å; E441-R580 PolarHBondContact OE2-NH2 2.97Å; I578-R580 HydrophobicContact CG2-CG 3.61Å; I578-R580 PolarHBondContact O-N 3.05Å; R580-T582 PolarHBondContact O-N 3.12Å
581T43.2Very low60Low133 Ų13388.1 Ų88.182%0.81644%0.439SS*.  trans-51.8110.8176.648.80000109.2I579 S583I579-T581 PolarHBondContact O-N 3.14Å; T581-S583 PolarHBondContact O-N 3.4Å
582T56.4Low62.9Low54 Ų5482.9 Ų82.933%0.33140%0.402SS..  trans-52.4106.8-179.3380000109.6P527 P565 R580P527-T582 HydrophobicContact CG-CG2 4.22Å; P565-T582 WeakPolarHBondContact CB-OG1 3.25Å; P565-T582 WeakPolarHBondContact CG-O 3.37Å; P565-T582 WeakPolarHBondContact CG-OG1 3.08Å; R580-T582 PolarHBondContact O-N 3.12Å
583S71.9Confident65.7Low43 Ų4376.1 Ų76.130%0.30137%0.369SS..PPolyproline II helixtrans-66.4153.8-174.5-166.20000111.1F282 P283 T581F282-S583 WeakPolarHBondContact CD1-O 3.22Å; F282-S583 VanDerWaalsContact CE1-O 3.26Å; F282-S583 WeakPolarHBondContact CE1-O 3.42Å; P283-S583 VanDerWaalsContact CG-OG 3.24Å; P283-S583 WeakPolarHBondContact CG-OG 3.33Å; T581-S583 PolarHBondContact O-N 3.4Å
584M86.7Confident68.5Low63 Ų6369 Ų6931%0.3134%0.337SS..PPolyproline II helixtrans-67.4143.7166.9-71.4-65.8111.700109.6P283 A564 P565 P659P283-M584 WeakPolarHBondContact CD-O 3.3Å; A564-M584 HydrophobicContact CB-CE 4.23Å; A564-M584 HydrophobicContact CB-SD 4.43Å; P565-M584 HydrophobicContact CG-CE 3.5Å; P565-M584 VanDerWaalsContact CG-CE 3.5Å; M584-P659 HydrophobicContact SD-CG 3.85Å
585P90.4Very high71.1Confident3 Ų359.5 Ų59.52%0.01929%0.293CS..PPolyproline II helixtrans-66.2143.217629.4-35.8000111L280 I281 F282 W562 L654 W657L280-P585 HydrophobicContact CD1-CB 3.53Å; L280-P585 HydrophobicContact CD1-CG 3.94Å; L280-P585 HydrophobicContact CD2-CB 4.13Å; L280-P585 HydrophobicContact CD2-CG 4.36Å; L280-P585 HydrophobicContact CG-CB 3.68Å; L280-P585 HydrophobicContact CG-CG 4.33Å; I281-P585 CarbonylContact O-C 3.57Å; I281-P585 VanDerWaalsContact O-CA 3.3Å; I281-P585 WeakPolarHBondContact O-CA 3.14Å; I281-P585 WeakPolarHBondContact O-CB 3.46Å; F282-P585 HydrophobicContact CD1-CB 4.27Å; F282-P585 HydrophobicContact CE1-CB 3.91Å; F282-P585 HydrophobicContact CZ-CB 4.07Å; W562-P585 HydrophobicContact CH2-CG 3.81Å; W562-P585 HydrophobicContact CZ2-CG 4.18Å; W562-P585 HydrophobicContact CZ3-CG 4.42Å; P585-L654 HydrophobicContact CB-CD1 3.97Å; P585-L654 HydrophobicContact CG-CB 4.35Å; P585-L654 HydrophobicContact CG-CD1 3.68Å; P585-L654 WeakPolarHBondContact O-CB 3.48Å; P585-W657 HydrophobicContact CG-CZ3 4.35Å
586L91.7Very high73.7Confident5 Ų549.1 Ų49.13%0.02625%0.254CS..SBendtrans-73.8-48.9175.5168.759.2000111.7I281 W611 Y614 W653 L654 H655I281-L586 HydrophobicContact CG2-CD2 4.38Å; I281-L586 PolarHBondContact O-N 2.84Å; L586-W611 HydrophobicContact CD2-CE3 4.3Å; L586-Y614 HydrophobicContact CD1-CD1 3.69Å; L586-Y614 HydrophobicContact CD1-CD2 3.34Å; L586-Y614 HydrophobicContact CD1-CE1 4.11Å; L586-Y614 HydrophobicContact CD1-CE2 3.81Å; L586-Y614 HydrophobicContact CD1-CG 3.26Å; L586-Y614 HydrophobicContact CD2-CG 4.26Å; L586-Y614 HydrophobicContact CG-CG 4.38Å; L586-W653 HydrophobicContact CD1-CE3 4.12Å; L586-W653 HydrophobicContact CD1-CZ3 3.94Å; L586-W653 HydrophobicContact CD2-CZ3 4.39Å; L586-W653 HydrophobicContact CG-CE3 4.38Å; L586-W653 HydrophobicContact CG-CZ3 4.03Å; L586-L654 WeakPolarHBondContact O-CA 3.44Å; L586-L654 PolarHBondContact O-N 3.27Å; L586-H655 HydrophobicContact CD1-CB 4.27Å; L586-H655 PolarHBondContact O-N 3.27Å; L586-H655 VanDerWaalsContact O-N 3.15Å
587C94.9Very high76.2Confident0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-158.6161.5179.157.80000111.6I281 V651 I652 W653I281-C587 PolarHBondContact N-O 3.28Å; I281-C587 PolarHBondContact O-N 3.3Å; C587-V651 HydrophobicContact CB-CG1 4.17Å; C587-I652 CarbonylContact C-O 3.56Å; C587-I652 WeakPolarHBondContact CA-O 3.22Å; C587-I652 VanDerWaalsContact CB-O 3.31Å; C587-I652 WeakPolarHBondContact CB-O 3.28Å; C587-W653 HydrophobicContact CB-CD2 4.22Å; C587-W653 HydrophobicContact CB-CE3 3.74Å; C587-W653 HydrophobicContact CB-CZ3 4.17Å
588L96.1Very high78.8Confident0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-108.3128.9164.9168.568.9000107.6C261 F263 A278 W279 L280 L447 M590 I652 L654C261-L588 HydrophobicContact CB-CD2 3.84Å; F263-L588 HydrophobicContact CE2-CD2 3.62Å; F263-L588 HydrophobicContact CZ-CB 4.39Å; F263-L588 HydrophobicContact CZ-CD2 3.65Å; A278-L588 HydrophobicContact CB-CD1 4.22Å; W279-L588 CarbonylContact O-C 3.46Å; W279-L588 WeakPolarHBondContact O-CA 3.37Å; L280-L588 HydrophobicContact CD1-CB 4.15Å; L447-L588 HydrophobicContact CD1-CD1 3.74Å; L588-M590 HydrophobicContact CD1-CG 4.48Å; L588-M590 HydrophobicContact CD2-CG 4.33Å; L588-M590 HydrophobicContact CD2-SD 4.23Å; L588-M590 HydrophobicContact CG-CG 4.17Å; L588-I652 HydrophobicContact CB-CB 4.31Å; L588-I652 HydrophobicContact CD2-CD1 4.27Å; L588-I652 HydrophobicContact CG-CD1 4.33Å; L588-I652 PolarHBondContact N-O 2.9Å; L588-I652 PolarHBondContact O-N 2.72Å; L588-L654 HydrophobicContact CB-CD1 4.16Å
589I96.4Very high81.2Confident0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-112.3127.7174-58-171.7000108.6A278 W279 I281 W596 I606 A610 F630 L634 S650 V651A278-I589 CarbonylContact C-O 3.59Å; A278-I589 VanDerWaalsContact CA-O 3.27Å; A278-I589 WeakPolarHBondContact CA-O 3.25Å; W279-I589 PolarHBondContact N-O 2.94Å; W279-I589 PolarHBondContact O-N 3.39Å; I281-I589 HydrophobicContact CD1-CB 4.48Å; I281-I589 HydrophobicContact CD1-CD1 3.35Å; I281-I589 HydrophobicContact CD1-CG1 3.71Å; I589-W596 HydrophobicContact CG2-CH2 4.01Å; I589-W596 HydrophobicContact CG2-CZ2 4.36Å; I589-I606 HydrophobicContact CD1-CG2 3.58Å; I589-A610 HydrophobicContact CD1-CB 4.44Å; I589-F630 HydrophobicContact CD1-CE1 3.83Å; I589-L634 HydrophobicContact CD1-CD1 3.95Å; I589-S650 WeakPolarHBondContact CA-O 3.11Å; I589-V651 HydrophobicContact CD1-CG2 4.29Å; I589-V651 HydrophobicContact CG1-CG1 4.31Å; I589-V651 HydrophobicContact CG1-CG2 4.13Å
590M96.8Very high83.5Confident1 Ų129 Ų291%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-119.5135.7173.6-56.5172.866.400108.4F182 I184 T259 C261 Q277 A278 L588 C649 S650 I652F182-M590 HydrophobicContact CB-CE 4.43Å; F182-M590 HydrophobicContact CB-SD 3.72Å; I184-M590 HydrophobicContact CD1-CB 3.6Å; I184-M590 WeakPolarHBondContact CD1-O 3.31Å; I184-M590 HydrophobicContact CG1-CB 4.32Å; T259-M590 HydrophobicContact CG2-CE 4.15Å; T259-M590 WeakPolarHBondContact O-CE 3.41Å; C261-M590 HydrophobicContact CB-CE 4.05Å; C261-M590 HydrophobicContact CB-SD 3.83Å; C261-M590 VanDerWaalsContact SG-CE 3.57Å; C261-M590 VanDerWaalsContact SG-SD 3.65Å; Q277-M590 CarbonylContact O-C 3.58Å; Q277-M590 VanDerWaalsContact O-CA 3.3Å; Q277-M590 WeakPolarHBondContact O-CA 3.45Å; A278-M590 HydrophobicContact CB-CG 3.92Å; L588-M590 HydrophobicContact CD1-CG 4.48Å; L588-M590 HydrophobicContact CD2-CG 4.33Å; L588-M590 HydrophobicContact CD2-SD 4.23Å; L588-M590 HydrophobicContact CG-CG 4.17Å; M590-C649 WeakPolarHBondContact O-CA 3.42Å; M590-S650 PolarHBondContact N-O 3.28Å; M590-S650 PolarHBondContact O-N 2.96Å; M590-I652 HydrophobicContact CG-CD1 4.38Å; M590-I652 HydrophobicContact SD-CD1 4.12Å
591A95.7Very high85.7Confident0 Ų024.4 Ų24.40%015%0.149CC..EExtended strand (participates in β ladder)trans-154.1157.8172.500000115.2S276 Q277 L595 W596 T648 C649S276-A591 CarbonylContact C-O 3.54Å; S276-A591 WeakPolarHBondContact CA-O 3.35Å; S276-A591 WeakPolarHBondContact CB-O 3.4Å; Q277-A591 PolarHBondContact N-O 2.87Å; Q277-A591 PolarHBondContact O-N 3.13Å; A591-L595 HydrophobicContact CB-CB 3.78Å; A591-L595 HydrophobicContact CB-CD2 3.42Å; A591-L595 VanDerWaalsContact CB-CD2 3.42Å; A591-L595 HydrophobicContact CB-CG 4.21Å; A591-W596 HydrophobicContact CB-CZ2 3.86Å; A591-W596 PolarHBondContact O-NE1 3.42Å; A591-T648 WeakPolarHBondContact CA-O 3.4Å; A591-T648 VanDerWaalsContact CB-O 3.24Å; A591-T648 WeakPolarHBondContact CB-O 2.98Å; A591-C649 HydrophobicContact CB-CB 4.15Å
592S93.5Very high87.8Confident0 Ų020.3 Ų20.30%013%0.125CC..  trans-62.4166.2165.4300000112.4D149 D186 G594 L595 W596 T648D149-S592 PolarHBondContact OD2-OG 2.89Å; D186-S592 WeakPolarHBondContact OD2-CB 3.41Å; S592-G594 PolarHBondContact O-N 2.89Å; S592-L595 PolarHBondContact O-N 3.03Å; S592-W596 PolarHBondContact O-NE1 3.14Å; S592-T648 PolarHBondContact N-O 3.46Å; S592-T648 VanDerWaalsContact N-O 3.12Å; S592-T648 PolarHBondContact OG-N 3.47Å; S592-T648 PolarHBondContact OG-O 3.41Å
593D89.9Confident89.1Confident6 Ų617.9 Ų17.93%0.03211%0.112CC..Hα-helixtrans-59.4-35.7-174.375.9-10.6000112.1D186 D275 L595 W596 D597 S737D186-D593 PolarHBondContact OD2-N 2.81Å; D275-D593 HydrophobicContact CB-CB 4.47Å; D593-L595 CarbonylContact O-C 3.56Å; D593-L595 PolarHBondContact O-N 3.2Å; D593-W596 PolarHBondContact O-N 3.45Å; D593-D597 WeakPolarHBondContact O-CB 3.19Å; D593-D597 PolarHBondContact O-N 2.82Å; D593-S737 WeakPolarHBondContact OD2-CB 3.21Å; D593-S737 PolarHBondContact OD2-OG 3.3Å
594G90Very high89.5Confident4 Ų419.8 Ų19.84%0.04112%0.121CC..Hα-helixtrans-57.5-11.7179.500000116.8S592 I647S592-G594 PolarHBondContact O-N 2.89Å; G594-I647 WeakPolarHBondContact O-CD1 3.49Å
595L93Very high89.6Confident0 Ų020.2 Ų20.20%012%0.123CC..Hα-helixtrans-85.1-47.2164.717861.1000112.1A591 S592 D593 C601 I606 L634 A638 I647 C649A591-L595 HydrophobicContact CB-CB 3.78Å; A591-L595 HydrophobicContact CB-CD2 3.42Å; A591-L595 VanDerWaalsContact CB-CD2 3.42Å; A591-L595 HydrophobicContact CB-CG 4.21Å; S592-L595 PolarHBondContact O-N 3.03Å; D593-L595 CarbonylContact O-C 3.56Å; D593-L595 PolarHBondContact O-N 3.2Å; L595-C601 HydrophobicContact CD1-CB 4.49Å; L595-C601 WeakPolarHBondContact O-CB 3.33Å; L595-I606 HydrophobicContact CD1-CD1 4.21Å; L595-I606 HydrophobicContact CD2-CD1 4.04Å; L595-I606 HydrophobicContact CG-CD1 4.06Å; L595-L634 HydrophobicContact CD1-CB 4.19Å; L595-A638 HydrophobicContact CD1-CB 3.94Å; L595-I647 HydrophobicContact CB-CG2 3.92Å; L595-C649 HydrophobicContact CD2-CB 4.2Å
596W87.4Confident89.6Confident11 Ų1120.1 Ų20.14%0.04212%0.122CC..Hα-helixtrans-81.5-16.1-170-46.7106.3000113.6Q277 W279 I589 A591 S592 D593 V598 I606Q277-W596 HydrophobicContact CB-CD2 4.23Å; Q277-W596 HydrophobicContact CB-CG 4.42Å; Q277-W596 HydrophobicContact CB-CZ2 4.05Å; Q277-W596 HydrophobicContact CG-CG 4.24Å; W279-W596 HydrophobicContact CB-CH2 4.28Å; W279-W596 AromaticContact CD1-CH2 3.45Å; W279-W596 VanDerWaalsContact CD1-CH2 3.45Å; W279-W596 AromaticContact CD1-CZ2 3.96Å; W279-W596 AromaticContact CD1-CZ3 3.66Å; W279-W596 HydrophobicContact CG-CH2 4.04Å; W279-W596 HydrophobicContact CG-CZ3 4.23Å; W279-W596 AromaticContact NE1-CZ3 3.99Å; I589-W596 HydrophobicContact CG2-CH2 4.01Å; I589-W596 HydrophobicContact CG2-CZ2 4.36Å; A591-W596 HydrophobicContact CB-CZ2 3.86Å; A591-W596 PolarHBondContact O-NE1 3.42Å; S592-W596 PolarHBondContact O-NE1 3.14Å; D593-W596 PolarHBondContact O-N 3.45Å; W596-V598 VanDerWaalsContact C-N 3.3Å; W596-V598 PolarHBondContact O-N 3.02Å; W596-I606 HydrophobicContact CE3-CD1 4.08Å; W596-I606 HydrophobicContact CZ3-CD1 3.76Å
597D82.8Confident89.5Confident31 Ų3119.9 Ų19.917%0.16612%0.121CC..THydrogen-bonded Turntrans-88.717.4-173.4-109.347.1000114.4R453 D593 R740R453-D597 IonicContact NH1-OD1 3.49Å; D593-D597 WeakPolarHBondContact O-CB 3.19Å; D593-D597 PolarHBondContact O-N 2.82Å; D597-R740 VanDerWaalsContact CG-NH2 3.29Å; D597-R740 PolarHBondContact O-NH1 3.09Å; D597-R740 PolarHBondContact O-NH2 2.88Å; D597-R740 IonicContact OD2-CZ 2.64Å; D597-R740 IonicContact OD2-NE 3.33Å; D597-R740 PolarHBondContact OD2-NE 3.48Å; D597-R740 IonicContact OD2-NH2 3.33Å; D597-R740 PolarHBondContact OD2-NH2 3.32Å
598V86Confident89.2Confident18 Ų1823.5 Ų23.511%0.10914%0.14CC..SBendtrans-127.4152.1178.1-65.10000112.7W596 C601 A638 N641 A643W596-V598 VanDerWaalsContact C-N 3.3Å; W596-V598 PolarHBondContact O-N 3.02Å; V598-C601 HydrophobicContact CG2-CB 3.74Å; V598-C601 PolarHBondContact O-N 3.37Å; V598-A638 HydrophobicContact CG2-CB 3.8Å; V598-N641 HydrophobicContact CB-CB 4.13Å; V598-N641 HydrophobicContact CG2-CB 4.2Å; V598-A643 HydrophobicContact CG1-CB 3.75Å
599P85.5Confident89Confident88 Ų8825.8 Ų25.857%0.57115%0.151SC*.THydrogen-bonded Turntrans-53.2149.8173.5-24.834.7000111.7C601 N641P599-C601 PolarHBondContact O-N 2.75Å; P599-N641 WeakPolarHBondContact O-CB 3.4Å; P599-N641 PolarHBondContact O-ND2 2.68Å
600C85.2Confident88.8Confident52 Ų5225.8 Ų25.835%0.35115%0.151SC..THydrogen-bonded Turntrans61.515.9-179.7-45.30000115.2E605C600-E605 VanDerWaalsContact C-OE2 3.28Å; C600-E605 VanDerWaalsContact CA-CD 3.47Å; C600-E605 WeakPolarHBondContact CA-OE1 3.48Å; C600-E605 VanDerWaalsContact CA-OE2 3.28Å; C600-E605 WeakPolarHBondContact CA-OE2 3.39Å
601C87.3Confident88.5Confident0 Ų026.5 Ų26.50%015%0.153CC..  trans-127.623.8175.7-65.30000113.1L595 V598 P599 E605 I606L595-C601 HydrophobicContact CD1-CB 4.49Å; L595-C601 WeakPolarHBondContact O-CB 3.33Å; V598-C601 HydrophobicContact CG2-CB 3.74Å; V598-C601 PolarHBondContact O-N 3.37Å; P599-C601 PolarHBondContact O-N 2.75Å; C601-E605 PolarHBondContact N-OE2 3.22Å; C601-I606 HydrophobicContact CB-CD1 4.09Å; C601-I606 VanDerWaalsContact O-CD1 3.28Å; C601-I606 WeakPolarHBondContact O-CD1 3.13Å
602S85.5Confident88.2Confident47 Ų4729.6 Ų29.633%0.32917%0.168SC..SBendtrans-65.8158.9167.770.40000111.2T604 E605 I606S602-T604 VanDerWaalsContact C-N 3.25Å; S602-T604 PolarHBondContact O-N 2.86Å; S602-E605 WeakPolarHBondContact CB-OE2 3.3Å; S602-E605 PolarHBondContact N-OE2 3.04Å; S602-E605 PolarHBondContact O-N 3Å; S602-E605 VanDerWaalsContact OG-CG 3.3Å; S602-E605 WeakPolarHBondContact OG-CG 3.38Å; S602-E605 PolarHBondContact OG-N 2.91Å; S602-E605 PolarHBondContact OG-OE2 2.82Å; S602-I606 WeakPolarHBondContact O-CB 3.14Å; S602-I606 WeakPolarHBondContact O-CG1 3.06Å; S602-I606 PolarHBondContact O-N 3.43Å
603G83.7Confident88.1Confident4 Ų431.3 Ų31.34%0.04117%0.174CC..Hα-helixtrans-56.4-37.317800000113.8S607G603-S607 VanDerWaalsContact O-CB 3.32Å; G603-S607 WeakPolarHBondContact O-CB 3.33Å; G603-S607 PolarHBondContact O-N 3.49Å; G603-S607 PolarHBondContact O-OG 2.8Å
604T81.8Confident88.1Confident82 Ų8232.8 Ų32.850%0.50318%0.18SC..Hα-helixtrans-64.2-47176.4-510000111.9S602 S607 L608S602-T604 VanDerWaalsContact C-N 3.25Å; S602-T604 PolarHBondContact O-N 2.86Å; T604-S607 WeakPolarHBondContact O-CB 3.09Å; T604-S607 PolarHBondContact O-N 3.43Å; T604-L608 PolarHBondContact O-N 3.43Å
605E87.5Confident87.9Confident72 Ų7233.7 Ų33.734%0.33618%0.183SC..Hα-helixtrans-65.5-47.7179-66.4160.213600110.7C600 C601 S602 S607 L608 M609C600-E605 VanDerWaalsContact C-OE2 3.28Å; C600-E605 VanDerWaalsContact CA-CD 3.47Å; C600-E605 WeakPolarHBondContact CA-OE1 3.48Å; C600-E605 VanDerWaalsContact CA-OE2 3.28Å; C600-E605 WeakPolarHBondContact CA-OE2 3.39Å; C601-E605 PolarHBondContact N-OE2 3.22Å; S602-E605 WeakPolarHBondContact CB-OE2 3.3Å; S602-E605 PolarHBondContact N-OE2 3.04Å; S602-E605 PolarHBondContact O-N 3Å; S602-E605 VanDerWaalsContact OG-CG 3.3Å; S602-E605 WeakPolarHBondContact OG-CG 3.38Å; S602-E605 PolarHBondContact OG-N 2.91Å; S602-E605 PolarHBondContact OG-OE2 2.82Å; E605-S607 PolarHBondContact O-N 2.94Å; E605-L608 WeakPolarHBondContact O-CB 3.24Å; E605-L608 PolarHBondContact O-N 3.29Å; E605-L608 VanDerWaalsContact O-N 3.16Å; E605-M609 VanDerWaalsContact O-CG 3.28Å; E605-M609 WeakPolarHBondContact O-CG 3.45Å; E605-M609 PolarHBondContact O-N 3.31Å
606I91.2Very high87.6Confident1 Ų139.3 Ų39.31%0.00521%0.209CC..Hα-helixtrans-60.1-33.4176.1-70.6-179.2000111.5I281 I589 L595 W596 C601 S602 M609 A610 L634I281-I606 HydrophobicContact CD1-CG2 4.4Å; I589-I606 HydrophobicContact CD1-CG2 3.58Å; L595-I606 HydrophobicContact CD1-CD1 4.21Å; L595-I606 HydrophobicContact CD2-CD1 4.04Å; L595-I606 HydrophobicContact CG-CD1 4.06Å; W596-I606 HydrophobicContact CE3-CD1 4.08Å; W596-I606 HydrophobicContact CZ3-CD1 3.76Å; C601-I606 HydrophobicContact CB-CD1 4.09Å; C601-I606 VanDerWaalsContact O-CD1 3.28Å; C601-I606 WeakPolarHBondContact O-CD1 3.13Å; S602-I606 WeakPolarHBondContact O-CB 3.14Å; S602-I606 WeakPolarHBondContact O-CG1 3.06Å; S602-I606 PolarHBondContact O-N 3.43Å; I606-M609 PolarHBondContact O-N 2.84Å; I606-A610 WeakPolarHBondContact O-CB 3.47Å; I606-A610 PolarHBondContact O-N 2.99Å; I606-L634 HydrophobicContact CD1-CD2 4.39Å; I606-L634 HydrophobicContact CG1-CD2 4.1Å; I606-L634 HydrophobicContact CG2-CD1 4.1Å; I606-L634 HydrophobicContact CG2-CD2 4.17Å
607S89.7Confident87.5Confident0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-64.6-43.7176.1-58.80000112.5G603 T604 E605 A610 W611G603-S607 VanDerWaalsContact O-CB 3.32Å; G603-S607 WeakPolarHBondContact O-CB 3.33Å; G603-S607 PolarHBondContact O-N 3.49Å; G603-S607 PolarHBondContact O-OG 2.8Å; T604-S607 WeakPolarHBondContact O-CB 3.09Å; T604-S607 PolarHBondContact O-N 3.43Å; E605-S607 PolarHBondContact O-N 2.94Å; S607-A610 PolarHBondContact O-N 3.02Å; S607-W611 PolarHBondContact O-N 3.19Å; S607-W611 VanDerWaalsContact O-N 3.16Å
608L88.8Confident87.6Confident77 Ų7739.4 Ų39.440%0.40321%0.209SC..Hα-helixtrans-60.5-46.6171.9-68.9166.3000110.9L443 T604 E605 A610 W611 H612L443-L608 HydrophobicContact CD1-CD2 3.78Å; L443-L608 HydrophobicContact CD2-CD2 4.03Å; T604-L608 PolarHBondContact O-N 3.43Å; E605-L608 WeakPolarHBondContact O-CB 3.24Å; E605-L608 PolarHBondContact O-N 3.29Å; E605-L608 VanDerWaalsContact O-N 3.16Å; L608-A610 PolarHBondContact O-N 3.46Å; L608-W611 WeakPolarHBondContact O-CB 3.35Å; L608-W611 PolarHBondContact O-N 3.21Å; L608-H612 PolarHBondContact O-CD2 2.78Å; L608-H612 PolarHBondContact O-N 3.46Å
609M92.1Very high87.4Confident47 Ų4745 Ų4523%0.23223%0.229CC..Hα-helixtrans-63.5-38.7-179.2-63177.879.900112.7E605 I606 H612 W613 F630 F633 L637E605-M609 VanDerWaalsContact O-CG 3.28Å; E605-M609 WeakPolarHBondContact O-CG 3.45Å; E605-M609 PolarHBondContact O-N 3.31Å; I606-M609 PolarHBondContact O-N 2.84Å; M609-H612 PolarHBondContact O-N 2.56Å; M609-W613 WeakPolarHBondContact O-CB 3.49Å; M609-W613 PolarHBondContact O-N 3.13Å; M609-F630 HydrophobicContact CB-CZ 4.49Å; M609-F633 HydrophobicContact CE-CE1 3.33Å; M609-F633 HydrophobicContact CE-CZ 3.36Å; M609-L637 HydrophobicContact CE-CD2 3.39Å; M609-L637 HydrophobicContact SD-CD2 3.73Å
610A92.4Very high87.1Confident0 Ų047.4 Ų47.40%023%0.228CC..Hα-helixtrans-65.5-37.7175.900000112.3I281 I589 I606 S607 L608 Y614 F630I281-A610 HydrophobicContact CD1-CB 3.78Å; I281-A610 HydrophobicContact CG2-CB 4.15Å; I589-A610 HydrophobicContact CD1-CB 4.44Å; I606-A610 WeakPolarHBondContact O-CB 3.47Å; I606-A610 PolarHBondContact O-N 2.99Å; S607-A610 PolarHBondContact O-N 3.02Å; L608-A610 PolarHBondContact O-N 3.46Å; A610-Y614 WeakPolarHBondContact O-CB 3.09Å; A610-Y614 PolarHBondContact O-N 3.01Å; A610-F630 HydrophobicContact CB-CE1 3.63Å; A610-F630 HydrophobicContact CB-CZ 3.71Å
611W90.1Very high86.6Confident16 Ų1650.2 Ų50.26%0.06123%0.234CC..Hα-helixtrans-63.4-47.9172.9172-124.7000112.3P283 Y284 D287 L443 L586 S607 L608 Y614 K615P283-W611 HydrophobicContact CB-CE3 3.83Å; P283-W611 HydrophobicContact CB-CH2 3.76Å; P283-W611 HydrophobicContact CB-CZ3 3.32Å; Y284-W611 WeakPolarHBondContact O-CZ2 3.31Å; D287-W611 HydrophobicContact CB-CZ2 4.29Å; D287-W611 PolarHBondContact OD2-NE1 2.98Å; L443-W611 HydrophobicContact CD2-CB 3.86Å; L443-W611 HydrophobicContact CD2-CG 4.34Å; L586-W611 HydrophobicContact CD2-CE3 4.3Å; S607-W611 PolarHBondContact O-N 3.19Å; S607-W611 VanDerWaalsContact O-N 3.16Å; L608-W611 WeakPolarHBondContact O-CB 3.35Å; L608-W611 PolarHBondContact O-N 3.21Å; W611-Y614 HydrophobicContact CE3-CD1 4.08Å; W611-Y614 AromaticContact CZ3-CD1 3.91Å; W611-Y614 HydrophobicContact CZ3-CD1 3.91Å; W611-Y614 HydrophobicContact CZ3-CE1 4.28Å; W611-Y614 PolarHBondContact O-N 2.64Å; W611-K615 HydrophobicContact CD2-CD 4.25Å; W611-K615 HydrophobicContact CD2-CG 4.36Å; W611-K615 HydrophobicContact CE3-CG 4.4Å; W611-K615 HydrophobicContact CH2-CD 4.47Å; W611-K615 HydrophobicContact CH2-CG 4.41Å; W611-K615 HydrophobicContact CZ2-CD 3.94Å; W611-K615 HydrophobicContact CZ2-CG 4.36Å; W611-K615 HydrophobicContact CZ3-CG 4.4Å; W611-K615 PolarHBondContact O-N 3.39Å
612H89.2Confident85.6Confident65 Ų6559.1 Ų59.130%0.30127%0.273SS..Hα-helixtrans-60.9-47.2176-75.9-71.8000111.8L608 M609 Y614 K615 E616L608-H612 PolarHBondContact O-CD2 2.78Å; L608-H612 PolarHBondContact O-N 3.46Å; M609-H612 PolarHBondContact O-N 2.56Å; H612-Y614 VanDerWaalsContact C-N 3.34Å; H612-Y614 PolarHBondContact O-N 3.28Å; H612-K615 WeakPolarHBondContact O-CB 3.4Å; H612-K615 PolarHBondContact O-N 3.09Å; H612-E616 PolarHBondContact O-N 3.14Å
613W91.1Very high84.4Confident36 Ų3660.2 Ų60.214%0.13628%0.277CS..Hα-helixtrans-58.4-45.2176.5-172.7-80.3000112M609 K615 E616 H617 F630 F633 W653M609-W613 WeakPolarHBondContact O-CB 3.49Å; M609-W613 PolarHBondContact O-N 3.13Å; W613-K615 PolarHBondContact O-N 3.4Å; W613-E616 PolarHBondContact O-N 2.94Å; W613-H617 AromaticContact CD2-CD2 3.85Å; W613-H617 AromaticContact CE2-CG 3.88Å; W613-H617 AromaticContact NE1-CG 3.94Å; W613-H617 VanDerWaalsContact O-CB 3.31Å; W613-H617 WeakPolarHBondContact O-CB 3.07Å; W613-H617 PolarHBondContact O-N 2.77Å; W613-F630 HydrophobicContact CB-CD2 3.77Å; W613-F630 HydrophobicContact CB-CE2 3.79Å; W613-F630 HydrophobicContact CB-CG 4.41Å; W613-F630 HydrophobicContact CB-CZ 4.45Å; W613-F630 HydrophobicContact CD2-CB 4.04Å; W613-F630 AromaticContact CD2-CD2 3.37Å; W613-F630 HydrophobicContact CD2-CD2 3.37Å; W613-F630 HydrophobicContact CD2-CE2 4.18Å; W613-F630 AromaticContact CD2-CG 3.99Å; W613-F630 HydrophobicContact CD2-CG 3.99Å; W613-F630 AromaticContact CE2-CD2 3.96Å; W613-F630 AromaticContact CE3-CD2 3.58Å; W613-F630 HydrophobicContact CE3-CD2 3.58Å; W613-F630 HydrophobicContact CE3-CE2 4.2Å; W613-F630 HydrophobicContact CG-CB 4.21Å; W613-F630 AromaticContact CG-CD2 3.46Å; W613-F630 HydrophobicContact CG-CD2 3.46Å; W613-F630 VanDerWaalsContact CG-CD2 3.46Å; W613-F630 HydrophobicContact CG-CE2 4.02Å; W613-F630 AromaticContact CG-CG 3.89Å; W613-F630 HydrophobicContact CG-CG 3.89Å; W613-F630 HydrophobicContact CZ2-CB 4.08Å; W613-F630 HydrophobicContact CZ3-CD2 4.27Å; W613-F633 HydrophobicContact CE3-CD1 4.08Å; W613-F633 HydrophobicContact CE3-CE1 4.49Å; W613-F633 HydrophobicContact CE3-CG 4.26Å; W613-F633 HydrophobicContact CH2-CB 4.06Å; W613-F633 HydrophobicContact CZ3-CB 3.75Å; W613-F633 HydrophobicContact CZ3-CD1 4.03Å; W613-F633 HydrophobicContact CZ3-CD2 4.18Å; W613-F633 AromaticContact CZ3-CG 3.72Å; W613-F633 HydrophobicContact CZ3-CG 3.72Å; W613-W653 AromaticContact CD1-CH2 3.79Å; W613-W653 AromaticContact CD1-CZ2 3.72Å
614Y90Very high83.2Confident38 Ų3862 Ų6215%0.14929%0.289CS..Iπ-helixtrans-58.5-47.1176.7174.5-107.7000112L586 A610 W611 H612 I618 Y619 W653 H655L586-Y614 HydrophobicContact CD1-CD1 3.69Å; L586-Y614 HydrophobicContact CD1-CD2 3.34Å; L586-Y614 HydrophobicContact CD1-CE1 4.11Å; L586-Y614 HydrophobicContact CD1-CE2 3.81Å; L586-Y614 HydrophobicContact CD1-CG 3.26Å; L586-Y614 HydrophobicContact CD2-CG 4.26Å; L586-Y614 HydrophobicContact CG-CG 4.38Å; A610-Y614 WeakPolarHBondContact O-CB 3.09Å; A610-Y614 PolarHBondContact O-N 3.01Å; W611-Y614 HydrophobicContact CE3-CD1 4.08Å; W611-Y614 AromaticContact CZ3-CD1 3.91Å; W611-Y614 HydrophobicContact CZ3-CD1 3.91Å; W611-Y614 HydrophobicContact CZ3-CE1 4.28Å; W611-Y614 PolarHBondContact O-N 2.64Å; H612-Y614 VanDerWaalsContact C-N 3.34Å; H612-Y614 PolarHBondContact O-N 3.28Å; Y614-I618 HydrophobicContact CD2-CB 3.69Å; Y614-I618 HydrophobicContact CD2-CD1 3.92Å; Y614-I618 HydrophobicContact CD2-CG1 4.37Å; Y614-I618 HydrophobicContact CD2-CG2 3.8Å; Y614-I618 HydrophobicContact CE2-CB 4Å; Y614-I618 HydrophobicContact CE2-CG2 3.6Å; Y614-I618 CarbonylContact O-C 3.29Å; Y614-I618 WeakPolarHBondContact O-CA 3.1Å; Y614-I618 WeakPolarHBondContact O-CB 3.31Å; Y614-I618 PolarHBondContact O-N 3.23Å; Y614-Y619 HydrophobicContact CE1-CD2 4.22Å; Y614-Y619 HydrophobicContact CE1-CG 4.36Å; Y614-Y619 PolarHBondContact O-N 3.49Å; Y614-W653 HydrophobicContact CD2-CZ3 4.29Å; Y614-H655 HydrophobicContact CE2-CB 3.65Å; Y614-H655 AromaticContact CE2-CD2 3.89Å; Y614-H655 AromaticContact CE2-CG 3.54Å; Y614-H655 AromaticContact CE2-ND1 3.89Å
615K86.8Confident82.3Confident23 Ų2366.2 Ų66.210%0.130%0.3CS..Iπ-helixtrans-55.8-58.2177.2-83.7-178.6148-1780111.4D287 W611 H612 W613 Y620D287-K615 VanDerWaalsContact CB-NZ 3.3Å; D287-K615 IonicContact OD1-NZ 2.92Å; D287-K615 IonicContact OD2-NZ 2.7Å; D287-K615 PolarHBondContact OD2-NZ 3.13Å; W611-K615 HydrophobicContact CD2-CD 4.25Å; W611-K615 HydrophobicContact CD2-CG 4.36Å; W611-K615 HydrophobicContact CE3-CG 4.4Å; W611-K615 HydrophobicContact CH2-CD 4.47Å; W611-K615 HydrophobicContact CH2-CG 4.41Å; W611-K615 HydrophobicContact CZ2-CD 3.94Å; W611-K615 HydrophobicContact CZ2-CG 4.36Å; W611-K615 HydrophobicContact CZ3-CG 4.4Å; W611-K615 PolarHBondContact O-N 3.39Å; H612-K615 WeakPolarHBondContact O-CB 3.4Å; H612-K615 PolarHBondContact O-N 3.09Å; W613-K615 PolarHBondContact O-N 3.4Å; K615-Y620 HydrophobicContact CB-CD2 4.46Å; K615-Y620 HydrophobicContact CB-CE2 4.14Å; K615-Y620 WeakPolarHBondContact O-CD2 3.48Å; K615-Y620 PolarHBondContact O-N 3.28Å; K615-Y620 VanDerWaalsContact O-N 3.08Å
616E85.3Confident81.2Confident117 Ų11764.9 Ų64.955%0.54730%0.295SS..Iπ-helixtrans-72.4-38.4-170.9-67.2-176.816900113.8H612 W613 K621H612-E616 PolarHBondContact O-N 3.14Å; W613-E616 PolarHBondContact O-N 2.94Å; E616-K621 VanDerWaalsContact O-CE 3.28Å; E616-K621 WeakPolarHBondContact O-CE 3.44Å
617H85.5Confident80.4Confident39 Ų3965.5 Ų65.518%0.18130%0.298CS..Iπ-helixtrans-98.1-35.1-171.8-67.4-104.1000113.5W613 N626W613-H617 AromaticContact CD2-CD2 3.85Å; W613-H617 AromaticContact CE2-CG 3.88Å; W613-H617 AromaticContact NE1-CG 3.94Å; W613-H617 VanDerWaalsContact O-CB 3.31Å; W613-H617 WeakPolarHBondContact O-CB 3.07Å; W613-H617 PolarHBondContact O-N 2.77Å; H617-N626 HydrophobicContact CB-CB 4.18Å; H617-N626 WeakPolarHBondContact O-CB 3.2Å; H617-N626 PolarHBondContact O-ND2 3.47Å
618I84.8Confident79.8Confident6 Ų668.7 Ų68.73%0.03131%0.313CS..Iπ-helixtrans-108.1-54-169.8-58.6170.5000111.3Y614 K622 H627 W653Y614-I618 HydrophobicContact CD2-CB 3.69Å; Y614-I618 HydrophobicContact CD2-CD1 3.92Å; Y614-I618 HydrophobicContact CD2-CG1 4.37Å; Y614-I618 HydrophobicContact CD2-CG2 3.8Å; Y614-I618 HydrophobicContact CE2-CB 4Å; Y614-I618 HydrophobicContact CE2-CG2 3.6Å; Y614-I618 CarbonylContact O-C 3.29Å; Y614-I618 WeakPolarHBondContact O-CA 3.1Å; Y614-I618 WeakPolarHBondContact O-CB 3.31Å; Y614-I618 PolarHBondContact O-N 3.23Å; I618-K622 PolarHBondContact O-N 2.89Å; I618-H627 HydrophobicContact CD1-CB 3.84Å; I618-H627 HydrophobicContact CG1-CB 4.32Å; I618-W653 HydrophobicContact CD1-CD2 3.84Å; I618-W653 HydrophobicContact CD1-CE3 3.88Å; I618-W653 HydrophobicContact CD1-CH2 3.86Å; I618-W653 HydrophobicContact CD1-CZ2 3.79Å; I618-W653 HydrophobicContact CD1-CZ3 3.91Å
619Y82.5Confident79.8Confident136 Ų13667.4 Ų67.453%0.53331%0.31SS..Iπ-helixtrans-68.8-62.9-173.1-177.1-105.7000112.4Y614 K621 K622Y614-Y619 HydrophobicContact CE1-CD2 4.22Å; Y614-Y619 HydrophobicContact CE1-CG 4.36Å; Y614-Y619 PolarHBondContact O-N 3.49Å; Y619-K621 VanDerWaalsContact C-N 3.34Å; Y619-K621 PolarHBondContact O-N 3.41Å; Y619-K622 PolarHBondContact O-N 3.4Å
620Y78.1Confident79.9Confident138 Ų13865.2 Ų65.254%0.54130%0.299SS..THydrogen-bonded Turntrans-65-37.6-176.1-71.1-57.3000112.8K615 K622K615-Y620 HydrophobicContact CB-CD2 4.46Å; K615-Y620 HydrophobicContact CB-CE2 4.14Å; K615-Y620 WeakPolarHBondContact O-CD2 3.48Å; K615-Y620 PolarHBondContact O-N 3.28Å; K615-Y620 VanDerWaalsContact O-N 3.08Å; Y620-K622 PolarHBondContact O-N 3.01Å
621K74.9Confident80Confident110 Ų11065.2 Ų65.248%0.47830%0.299SS..THydrogen-bonded Turntrans-72.4-15.8-179.7-65.6-177.6-177.5170.40113.2E616 Y619 V623 N626E616-K621 VanDerWaalsContact O-CE 3.28Å; E616-K621 WeakPolarHBondContact O-CE 3.44Å; Y619-K621 VanDerWaalsContact C-N 3.34Å; Y619-K621 PolarHBondContact O-N 3.41Å; K621-V623 WeakPolarHBondContact O-CG2 3.1Å; K621-V623 PolarHBondContact O-N 3.4Å; K621-N626 VanDerWaalsContact CD-ND2 3.29Å; K621-N626 WeakPolarHBondContact CD-ND2 3.38Å
622K67.1Low80.1Confident188 Ų18866.2 Ų66.282%0.81731%0.305SS*.  trans52.312.2-175.4-60.5-178.9179.9177.70115I618 Y619 Y620I618-K622 PolarHBondContact O-N 2.89Å; Y619-K622 PolarHBondContact O-N 3.4Å; Y620-K622 PolarHBondContact O-N 3.01Å
623V60.5Low80.4Confident70 Ų7066.9 Ų66.942%0.42431%0.307SS..  trans-116.1102.5-174.8169.90000108.2K621 K625 N626K621-V623 WeakPolarHBondContact O-CG2 3.1Å; K621-V623 PolarHBondContact O-N 3.4Å; V623-K625 HydrophobicContact CG1-CB 3.94Å; V623-K625 HydrophobicContact CG1-CG 4.23Å; V623-K625 PolarHBondContact O-N 3.11Å; V623-N626 PolarHBondContact O-N 2.94Å
624C58.7Low80.6Confident42 Ų4265.2 Ų65.228%0.28430%0.301SS..G310 helixtrans-67.3-5.1-176-50.50000114N626 H627 K656C624-N626 PolarHBondContact O-N 3.22Å; C624-H627 PolarHBondContact O-ND1 3.19Å; C624-K656 WeakPolarHBondContact SG-CE 3.46Å; C624-K656 PolarHBondContact SG-NZ 3.45Å
625K62.7Low80.9Confident169 Ų16963.4 Ų63.474%0.73529%0.293SS*.G310 helixtrans-67-17.7175.8-63.9-173.4176.3-176.60113.3V623 H627 H628V623-K625 HydrophobicContact CG1-CB 3.94Å; V623-K625 HydrophobicContact CG1-CG 4.23Å; V623-K625 PolarHBondContact O-N 3.11Å; K625-H627 VanDerWaalsContact C-N 3.27Å; K625-H627 PolarHBondContact O-N 2.77Å; K625-H628 PolarHBondContact O-CD2 2.99Å
626N63Low81.3Confident44 Ų4465 Ų6524%0.23530%0.303CS..G310 helixtrans-87.612.6-177.3-53.6-23.3000113.7H617 K621 V623 C624 H628H617-N626 HydrophobicContact CB-CB 4.18Å; H617-N626 WeakPolarHBondContact O-CB 3.2Å; H617-N626 PolarHBondContact O-ND2 3.47Å; K621-N626 VanDerWaalsContact CD-ND2 3.29Å; K621-N626 WeakPolarHBondContact CD-ND2 3.38Å; V623-N626 PolarHBondContact O-N 2.94Å; C624-N626 PolarHBondContact O-N 3.22Å; N626-H628 VanDerWaalsContact C-N 3.29Å
627H75.3Confident81.7Confident15 Ų1560.7 Ų60.77%0.06928%0.284CS..G310 helixtrans-78.6-16.4175.979.5-92.3000112.9I618 C624 K625 W653I618-H627 HydrophobicContact CD1-CB 3.84Å; I618-H627 HydrophobicContact CG1-CB 4.32Å; C624-H627 PolarHBondContact O-ND1 3.19Å; K625-H627 VanDerWaalsContact C-N 3.27Å; K625-H627 PolarHBondContact O-N 2.77Å; H627-W653 HydrophobicContact CB-CG 4.26Å; H627-W653 AromaticContact CD2-CD1 3.67Å; H627-W653 PolarHBondContact O-NE1 3.41Å
628H77Confident82.1Confident66 Ų6658.9 Ų58.931%0.30628%0.275SS..THydrogen-bonded Turntrans-72.5158173.3-56.8-56.8000111.7D136 K625 N626 F630D136-H628 WeakPolarHBondContact OD1-CA 3.45Å; K625-H628 PolarHBondContact O-CD2 2.99Å; N626-H628 VanDerWaalsContact C-N 3.29Å; H628-F630 VanDerWaalsContact C-N 3.33Å; H628-F630 PolarHBondContact O-N 2.98Å
629S88.3Confident82.6Confident51 Ų5160.5 Ų60.536%0.35729%0.286SS..THydrogen-bonded Turntrans71.35.7179.4-64.50000117.2D136 E632 F633D136-S629 VanDerWaalsContact CG-N 3.28Å; D136-S629 PolarHBondContact OD1-N 3.14Å; D136-S629 PolarHBondContact OD2-N 2.86Å; D136-S629 VanDerWaalsContact OD2-N 3.08Å; S629-E632 PolarHBondContact O-N 3.25Å; S629-E632 PolarHBondContact OG-OE2 3.28Å; S629-F633 WeakPolarHBondContact O-CB 3.05Å; S629-F633 PolarHBondContact O-N 2.92Å
630F94Very high83.1Confident0 Ų061.2 Ų61.20%029%0.294CS..Hα-helixtrans-70.9-39.8169-174.8-129.5000111.5D136 I589 M609 A610 W613 H628 E632 F633 L634 V651 W653D136-F630 PolarHBondContact OD2-N 3.1Å; I589-F630 HydrophobicContact CD1-CE1 3.83Å; M609-F630 HydrophobicContact CB-CZ 4.49Å; A610-F630 HydrophobicContact CB-CE1 3.63Å; A610-F630 HydrophobicContact CB-CZ 3.71Å; W613-F630 HydrophobicContact CB-CD2 3.77Å; W613-F630 HydrophobicContact CB-CE2 3.79Å; W613-F630 HydrophobicContact CB-CG 4.41Å; W613-F630 HydrophobicContact CB-CZ 4.45Å; W613-F630 HydrophobicContact CD2-CB 4.04Å; W613-F630 AromaticContact CD2-CD2 3.37Å; W613-F630 HydrophobicContact CD2-CD2 3.37Å; W613-F630 HydrophobicContact CD2-CE2 4.18Å; W613-F630 AromaticContact CD2-CG 3.99Å; W613-F630 HydrophobicContact CD2-CG 3.99Å; W613-F630 AromaticContact CE2-CD2 3.96Å; W613-F630 AromaticContact CE3-CD2 3.58Å; W613-F630 HydrophobicContact CE3-CD2 3.58Å; W613-F630 HydrophobicContact CE3-CE2 4.2Å; W613-F630 HydrophobicContact CG-CB 4.21Å; W613-F630 AromaticContact CG-CD2 3.46Å; W613-F630 HydrophobicContact CG-CD2 3.46Å; W613-F630 VanDerWaalsContact CG-CD2 3.46Å; W613-F630 HydrophobicContact CG-CE2 4.02Å; W613-F630 AromaticContact CG-CG 3.89Å; W613-F630 HydrophobicContact CG-CG 3.89Å; W613-F630 HydrophobicContact CZ2-CB 4.08Å; W613-F630 HydrophobicContact CZ3-CD2 4.27Å; H628-F630 VanDerWaalsContact C-N 3.33Å; H628-F630 PolarHBondContact O-N 2.98Å; F630-E632 VanDerWaalsContact C-N 3.29Å; F630-E632 PolarHBondContact O-N 2.91Å; F630-F633 AromaticContact CD2-CD1 3.73Å; F630-F633 HydrophobicContact CD2-CD1 3.73Å; F630-F633 HydrophobicContact CD2-CE1 4.43Å; F630-F633 AromaticContact CE2-CD1 3.65Å; F630-F633 HydrophobicContact CE2-CD1 3.65Å; F630-F633 AromaticContact CE2-CE1 3.96Å; F630-F633 HydrophobicContact CE2-CE1 3.96Å; F630-F633 WeakPolarHBondContact O-CB 3.49Å; F630-F633 PolarHBondContact O-N 3.17Å; F630-L634 HydrophobicContact CD1-CD1 4.18Å; F630-L634 HydrophobicContact CD2-CG 4.42Å; F630-L634 HydrophobicContact CE1-CD1 3.73Å; F630-L634 HydrophobicContact CE1-CG 4.23Å; F630-L634 HydrophobicContact CE2-CD1 4.43Å; F630-L634 HydrophobicContact CE2-CD2 4.06Å; F630-L634 HydrophobicContact CE2-CG 4.04Å; F630-L634 HydrophobicContact CZ-CD1 3.85Å; F630-L634 HydrophobicContact CZ-CD2 3.88Å; F630-L634 HydrophobicContact CZ-CG 3.91Å; F630-L634 WeakPolarHBondContact O-CG 3.4Å; F630-L634 PolarHBondContact O-N 3.14Å; F630-V651 HydrophobicContact CD1-CG1 4.08Å; F630-V651 HydrophobicContact CD1-CG2 3.87Å; F630-V651 HydrophobicContact CE1-CG2 4.48Å; F630-W653 HydrophobicContact CB-CZ2 3.91Å; F630-W653 HydrophobicContact CD1-CH2 4.01Å; F630-W653 AromaticContact CD1-CZ2 3.71Å; F630-W653 HydrophobicContact CD1-CZ2 3.71Å; F630-W653 HydrophobicContact CE1-CH2 4.47Å; F630-W653 HydrophobicContact CG-CH2 4.47Å; F630-W653 HydrophobicContact CG-CZ2 4.01Å
631S94.6Very high83.8Confident0 Ų057.2 Ų57.20%028%0.282CS..Hα-helixtrans-62-36.9171.558.50000112.2D136 T137 H138 V635 C649D136-S631 PolarHBondContact OD1-OG 3.44Å; D136-S631 VanDerWaalsContact OD2-CB 3.32Å; D136-S631 WeakPolarHBondContact OD2-CB 3.4Å; D136-S631 PolarHBondContact OD2-N 3.4Å; D136-S631 PolarHBondContact OD2-OG 3.35Å; T137-S631 WeakPolarHBondContact CA-OG 3.5Å; T137-S631 PolarHBondContact N-OG 3.05Å; H138-S631 WeakPolarHBondContact CB-OG 3.22Å; H138-S631 PolarHBondContact N-OG 2.94Å; S631-V635 WeakPolarHBondContact O-CB 3.17Å; S631-V635 VanDerWaalsContact O-CG2 3.23Å; S631-V635 WeakPolarHBondContact O-CG2 3.44Å; S631-V635 PolarHBondContact O-N 3.11Å; S631-C649 WeakPolarHBondContact CB-O 3.33Å
632E93.9Very high84.7Confident37 Ų3753.9 Ų53.917%0.17328%0.279CS..Hα-helixtrans-66.4-40.6173.7-177.9165.1-146.900111.7H138 K363 S629 F630 N636H138-E632 HydrophobicContact CB-CB 4.35Å; H138-E632 IonicContact CE1-OE1 3.18Å; H138-E632 PolarHBondContact CE1-OE1 3.23Å; H138-E632 WeakPolarHBondContact ND1-CB 3.46Å; K363-E632 WeakPolarHBondContact CE-OE1 3.23Å; K363-E632 IonicContact NZ-OE1 3.98Å; K363-E632 PolarHBondContact NZ-OE1 3.24Å; S629-E632 PolarHBondContact O-N 3.25Å; S629-E632 PolarHBondContact OG-OE2 3.28Å; F630-E632 VanDerWaalsContact C-N 3.29Å; F630-E632 PolarHBondContact O-N 2.91Å; E632-N636 WeakPolarHBondContact O-CB 3.43Å; E632-N636 PolarHBondContact O-N 3.47Å; E632-N636 PolarHBondContact O-ND2 2.9Å
633F94.6Very high85.8Confident80 Ų8045.1 Ų45.135%0.35124%0.241SC..Hα-helixtrans-62.6-48.5173.8166.6-102.9000112.3M609 W613 S629 F630 V635 N636 L637M609-F633 HydrophobicContact CE-CE1 3.33Å; M609-F633 HydrophobicContact CE-CZ 3.36Å; W613-F633 HydrophobicContact CE3-CD1 4.08Å; W613-F633 HydrophobicContact CE3-CE1 4.49Å; W613-F633 HydrophobicContact CE3-CG 4.26Å; W613-F633 HydrophobicContact CH2-CB 4.06Å; W613-F633 HydrophobicContact CZ3-CB 3.75Å; W613-F633 HydrophobicContact CZ3-CD1 4.03Å; W613-F633 HydrophobicContact CZ3-CD2 4.18Å; W613-F633 AromaticContact CZ3-CG 3.72Å; W613-F633 HydrophobicContact CZ3-CG 3.72Å; S629-F633 WeakPolarHBondContact O-CB 3.05Å; S629-F633 PolarHBondContact O-N 2.92Å; F630-F633 AromaticContact CD2-CD1 3.73Å; F630-F633 HydrophobicContact CD2-CD1 3.73Å; F630-F633 HydrophobicContact CD2-CE1 4.43Å; F630-F633 AromaticContact CE2-CD1 3.65Å; F630-F633 HydrophobicContact CE2-CD1 3.65Å; F630-F633 AromaticContact CE2-CE1 3.96Å; F630-F633 HydrophobicContact CE2-CE1 3.96Å; F630-F633 WeakPolarHBondContact O-CB 3.49Å; F630-F633 PolarHBondContact O-N 3.17Å; F633-V635 PolarHBondContact O-N 2.97Å; F633-N636 PolarHBondContact O-N 2.63Å; F633-L637 PolarHBondContact O-N 2.82Å
634L95.9Very high87.1Confident0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-60.6-43.3176.8-69.9178.3000112.3I589 L595 I606 F630 L637 A638 V651I589-L634 HydrophobicContact CD1-CD1 3.95Å; L595-L634 HydrophobicContact CD1-CB 4.19Å; I606-L634 HydrophobicContact CD1-CD2 4.39Å; I606-L634 HydrophobicContact CG1-CD2 4.1Å; I606-L634 HydrophobicContact CG2-CD1 4.1Å; I606-L634 HydrophobicContact CG2-CD2 4.17Å; F630-L634 HydrophobicContact CD1-CD1 4.18Å; F630-L634 HydrophobicContact CD2-CG 4.42Å; F630-L634 HydrophobicContact CE1-CD1 3.73Å; F630-L634 HydrophobicContact CE1-CG 4.23Å; F630-L634 HydrophobicContact CE2-CD1 4.43Å; F630-L634 HydrophobicContact CE2-CD2 4.06Å; F630-L634 HydrophobicContact CE2-CG 4.04Å; F630-L634 HydrophobicContact CZ-CD1 3.85Å; F630-L634 HydrophobicContact CZ-CD2 3.88Å; F630-L634 HydrophobicContact CZ-CG 3.91Å; F630-L634 WeakPolarHBondContact O-CG 3.4Å; F630-L634 PolarHBondContact O-N 3.14Å; L634-L637 PolarHBondContact O-N 2.66Å; L634-A638 PolarHBondContact O-N 3.47Å; L634-V651 HydrophobicContact CD1-CG2 4.44Å
635V94.7Very high88.6Confident0 Ų044.1 Ų44.10%024%0.236CC..Hα-helixtrans-63.2-43.3175.3168.10000111.5H138 I140 S631 F633 A638 V639 I647 C649H138-V635 HydrophobicContact CB-CG2 4.28Å; I140-V635 HydrophobicContact CD1-CG1 3.34Å; I140-V635 HydrophobicContact CG1-CG1 3.61Å; I140-V635 HydrophobicContact CG2-CG1 4.28Å; S631-V635 WeakPolarHBondContact O-CB 3.17Å; S631-V635 VanDerWaalsContact O-CG2 3.23Å; S631-V635 WeakPolarHBondContact O-CG2 3.44Å; S631-V635 PolarHBondContact O-N 3.11Å; F633-V635 PolarHBondContact O-N 2.97Å; V635-A638 PolarHBondContact O-N 3.32Å; V635-V639 WeakPolarHBondContact O-CG2 3.45Å; V635-V639 PolarHBondContact O-N 2.52Å; V635-I647 HydrophobicContact CG1-CB 4.44Å; V635-I647 HydrophobicContact CG1-CD1 4.42Å; V635-I647 HydrophobicContact CG2-CB 4.41Å; V635-I647 HydrophobicContact CG2-CG2 3.87Å; V635-C649 HydrophobicContact CG2-CB 3.92Å
636N95Very high89.9Confident58 Ų5836.2 Ų36.231%0.3120%0.202SC..Hα-helixtrans-65.7-38.8178-75.6-40.1000112.2E632 F633 V639 Q640E632-N636 WeakPolarHBondContact O-CB 3.43Å; E632-N636 PolarHBondContact O-N 3.47Å; E632-N636 PolarHBondContact O-ND2 2.9Å; F633-N636 PolarHBondContact O-N 2.63Å; N636-V639 PolarHBondContact O-N 3.02Å; N636-Q640 VanDerWaalsContact O-CG 3.26Å; N636-Q640 WeakPolarHBondContact O-CG 3.28Å; N636-Q640 PolarHBondContact O-N 3.26Å
637L95Very high91.4Very high26 Ų2634.1 Ų34.114%0.13619%0.191CC..Hα-helixtrans-59.6-47.3172.6176.765.8000110.9M609 F633 L634 V639 Q640 N641M609-L637 HydrophobicContact CE-CD2 3.39Å; M609-L637 HydrophobicContact SD-CD2 3.73Å; F633-L637 PolarHBondContact O-N 2.82Å; L634-L637 PolarHBondContact O-N 2.66Å; L637-V639 VanDerWaalsContact C-N 3.32Å; L637-V639 PolarHBondContact O-N 3.16Å; L637-Q640 WeakPolarHBondContact O-CB 3.29Å; L637-Q640 PolarHBondContact O-N 3.14Å; L637-Q640 VanDerWaalsContact O-N 3.1Å; L637-N641 WeakPolarHBondContact CD1-ND2 3.46Å; L637-N641 WeakPolarHBondContact O-CB 3.37Å; L637-N641 VanDerWaalsContact O-CG 3.29Å; L637-N641 PolarHBondContact O-N 3.46Å
638A94.3Very high92.4Very high0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-60.3-42.7179.300000112.1L595 V598 L634 V635 Q640 N641 G642 A643 I647L595-A638 HydrophobicContact CD1-CB 3.94Å; V598-A638 HydrophobicContact CG2-CB 3.8Å; L634-A638 PolarHBondContact O-N 3.47Å; V635-A638 PolarHBondContact O-N 3.32Å; A638-Q640 VanDerWaalsContact C-N 3.35Å; A638-Q640 PolarHBondContact O-N 3.03Å; A638-N641 CarbonylContact O-C 3.56Å; A638-N641 PolarHBondContact O-N 2.85Å; A638-G642 PolarHBondContact O-N 3.42Å; A638-A643 VanDerWaalsContact C-CB 3.49Å; A638-A643 HydrophobicContact CB-CB 4.1Å; A638-A643 WeakPolarHBondContact O-CB 3.37Å; A638-A643 PolarHBondContact O-N 3.32Å; A638-I647 HydrophobicContact CB-CD1 3.96Å
639V94Very high93.3Very high41 Ų4130.3 Ų30.325%0.24817%0.173CC..Hα-helixtrans-61.9-39.8174.3172.80000112.1I140 V635 N636 L637 G642 I647I140-V639 HydrophobicContact CD1-CG2 3.56Å; V635-V639 WeakPolarHBondContact O-CG2 3.45Å; V635-V639 PolarHBondContact O-N 2.52Å; N636-V639 PolarHBondContact O-N 3.02Å; L637-V639 VanDerWaalsContact C-N 3.32Å; L637-V639 PolarHBondContact O-N 3.16Å; V639-G642 PolarHBondContact O-N 3.41Å; V639-I647 HydrophobicContact CG2-CD1 4.05Å
640Q93.9Very high93.7Very high151 Ų15128.1 Ų28.171%0.70616%0.157SC*.Hα-helixtrans-65.6-38.8175.2-72.9169.29.400111.8N636 L637 A638 G642N636-Q640 VanDerWaalsContact O-CG 3.26Å; N636-Q640 WeakPolarHBondContact O-CG 3.28Å; N636-Q640 PolarHBondContact O-N 3.26Å; L637-Q640 WeakPolarHBondContact O-CB 3.29Å; L637-Q640 PolarHBondContact O-N 3.14Å; L637-Q640 VanDerWaalsContact O-N 3.1Å; A638-Q640 VanDerWaalsContact C-N 3.35Å; A638-Q640 PolarHBondContact O-N 3.03Å; Q640-G642 PolarHBondContact O-N 2.91Å
641N93.5Very high93.8Very high54 Ų5428.1 Ų28.129%0.28916%0.157SC..THydrogen-bonded Turntrans-81.110.8178.6-60.9-13.2000113.6V598 P599 L637 A638V598-N641 HydrophobicContact CB-CB 4.13Å; V598-N641 HydrophobicContact CG2-CB 4.2Å; P599-N641 WeakPolarHBondContact O-CB 3.4Å; P599-N641 PolarHBondContact O-ND2 2.68Å; L637-N641 WeakPolarHBondContact CD1-ND2 3.46Å; L637-N641 WeakPolarHBondContact O-CB 3.37Å; L637-N641 VanDerWaalsContact O-CG 3.29Å; L637-N641 PolarHBondContact O-N 3.46Å; A638-N641 CarbonylContact O-C 3.56Å; A638-N641 PolarHBondContact O-N 2.85Å
642G91.9Very high93.8Very high40 Ų4028.1 Ų28.141%0.41216%0.157SC..THydrogen-bonded Turntrans101.28.4168.600000115.8A638 V639 Q640 S644A638-G642 PolarHBondContact O-N 3.42Å; V639-G642 PolarHBondContact O-N 3.41Å; Q640-G642 PolarHBondContact O-N 2.91Å; G642-S644 PolarHBondContact O-N 3.29Å
643A90.2Very high93.8Very high4 Ų426.3 Ų26.33%0.03315%0.149CC..  trans-54.7133177.900000110.1N142 V598 A638 I647N142-A643 VanDerWaalsContact ND2-C 3.26Å; N142-A643 PolarHBondContact ND2-O 2.92Å; V598-A643 HydrophobicContact CG1-CB 3.75Å; A638-A643 VanDerWaalsContact C-CB 3.49Å; A638-A643 HydrophobicContact CB-CB 4.1Å; A638-A643 WeakPolarHBondContact O-CB 3.37Å; A638-A643 PolarHBondContact O-N 3.32Å; A643-I647 HydrophobicContact CB-CD1 3.73Å
644S89.6Confident93.7Very high67 Ų6722.7 Ų22.747%0.46913%0.133SC..  trans-116.3-15.9178.669.10000113.3G642G642-S644 PolarHBondContact O-N 3.29Å
645D88.8Confident93.3Very high24 Ų2425 Ų2513%0.12814%0.144CC..SBendtrans-80.6171.1-177.6-132.1-44.1000113.7N142 R144 I647N142-D645 WeakPolarHBondContact CB-O 3.41Å; N142-D645 PolarHBondContact ND2-O 3.25Å; R144-D645 IonicContact CZ-OD1 3.29Å; R144-D645 VanDerWaalsContact CZ-OD1 3.3Å; R144-D645 IonicContact CZ-OD2 3.88Å; R144-D645 VanDerWaalsContact NE-CG 3.32Å; R144-D645 IonicContact NE-OD1 3.7Å; R144-D645 PolarHBondContact NE-OD1 2.81Å; R144-D645 IonicContact NE-OD2 3.18Å; R144-D645 PolarHBondContact NE-OD2 3.09Å; R144-D645 VanDerWaalsContact NH2-CG 3.27Å; R144-D645 IonicContact NH2-OD1 3.36Å; R144-D645 PolarHBondContact NH2-OD1 2.7Å; R144-D645 VanDerWaalsContact NH2-OD1 3.09Å; R144-D645 IonicContact NH2-OD2 3.67Å; R144-D645 PolarHBondContact NH2-OD2 3.25Å; D645-I647 WeakPolarHBondContact O-CG1 3.25Å
646N91.6Very high93Very high3 Ų328.6 Ų28.62%0.01616%0.16CC..  trans-55.9145.9159.8-68.3155.2000109.7V141 R144 R146 Q147 E148 D149V141-N646 WeakPolarHBondContact CA-ND2 3.37Å; V141-N646 PolarHBondContact O-ND2 3.17Å; R144-N646 WeakPolarHBondContact CB-ND2 3.37Å; R146-N646 PolarHBondContact O-ND2 3Å; R146-N646 PolarHBondContact O-OD1 3.03Å; Q147-N646 VanDerWaalsContact OE1-CB 3.27Å; Q147-N646 PolarHBondContact OE1-ND2 3.15Å; Q147-N646 PolarHBondContact OE1-OD1 3.36Å; E148-N646 WeakPolarHBondContact CB-OD1 3.31Å; E148-N646 PolarHBondContact N-OD1 3.23Å; D149-N646 WeakPolarHBondContact OD1-CB 3.48Å
647I94.2Very high92.7Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-137.9129.6178.1-40.5-179.8000108.3S139 I140 D149 G594 L595 V635 A638 V639 A643 D645S139-I647 CarbonylContact C-O 3.47Å; S139-I647 WeakPolarHBondContact CA-O 3.35Å; I140-I647 HydrophobicContact CD1-CD1 4.27Å; I140-I647 HydrophobicContact CD1-CG1 4.5Å; I140-I647 HydrophobicContact CG1-CB 4.08Å; I140-I647 HydrophobicContact CG1-CG1 4.33Å; I140-I647 PolarHBondContact N-O 3.23Å; I140-I647 PolarHBondContact O-N 3.3Å; D149-I647 PolarHBondContact OD2-N 3.13Å; G594-I647 WeakPolarHBondContact O-CD1 3.49Å; L595-I647 HydrophobicContact CB-CG2 3.92Å; V635-I647 HydrophobicContact CG1-CB 4.44Å; V635-I647 HydrophobicContact CG1-CD1 4.42Å; V635-I647 HydrophobicContact CG2-CB 4.41Å; V635-I647 HydrophobicContact CG2-CG2 3.87Å; A638-I647 HydrophobicContact CB-CD1 3.96Å; V639-I647 HydrophobicContact CG2-CD1 4.05Å; A643-I647 HydrophobicContact CB-CD1 3.73Å; D645-I647 WeakPolarHBondContact O-CG1 3.25Å
648T95.5Very high92.3Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-134.8118173-65.60000107.4H138 S139 D149 W151 I184 A591 S592H138-T648 WeakPolarHBondContact O-CA 3.11Å; S139-T648 WeakPolarHBondContact CB-OG1 3.32Å; S139-T648 PolarHBondContact OG-OG1 3.01Å; D149-T648 WeakPolarHBondContact CB-OG1 3.47Å; D149-T648 WeakPolarHBondContact OD2-CB 3.45Å; D149-T648 PolarHBondContact OD2-N 2.93Å; D149-T648 PolarHBondContact OD2-OG1 2.89Å; W151-T648 HydrophobicContact CB-CG2 4.21Å; W151-T648 HydrophobicContact CG-CG2 4.15Å; I184-T648 HydrophobicContact CD1-CG2 4.29Å; I184-T648 HydrophobicContact CG1-CG2 4.46Å; I184-T648 HydrophobicContact CG2-CG2 4.48Å; A591-T648 WeakPolarHBondContact CA-O 3.4Å; A591-T648 VanDerWaalsContact CB-O 3.24Å; A591-T648 WeakPolarHBondContact CB-O 2.98Å; S592-T648 PolarHBondContact N-O 3.46Å; S592-T648 VanDerWaalsContact N-O 3.12Å; S592-T648 PolarHBondContact OG-N 3.47Å; S592-T648 PolarHBondContact OG-O 3.41Å
649C96Very high92Very high0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-125.2125.1-178.9177.30000109.3T137 H138 M590 A591 L595 S631 V635T137-C649 WeakPolarHBondContact CA-O 3.45Å; H138-C649 PolarHBondContact N-O 2.89Å; H138-C649 PolarHBondContact O-N 3.26Å; M590-C649 WeakPolarHBondContact O-CA 3.42Å; A591-C649 HydrophobicContact CB-CB 4.15Å; L595-C649 HydrophobicContact CD2-CB 4.2Å; S631-C649 WeakPolarHBondContact CB-O 3.33Å; V635-C649 HydrophobicContact CG2-CB 3.92Å
650S95.8Very high91.6Very high5 Ų537.2 Ų37.24%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-117119.4175.1-65.40000109.4D136 T137 I589 M590D136-S650 WeakPolarHBondContact O-CA 3.44Å; T137-S650 WeakPolarHBondContact CG2-OG 3.23Å; T137-S650 PolarHBondContact OG1-OG 3.36Å; I589-S650 WeakPolarHBondContact CA-O 3.11Å; M590-S650 PolarHBondContact N-O 3.28Å; M590-S650 PolarHBondContact O-N 2.96Å
651V95.9Very high91.4Very high0 Ų037.9 Ų37.90%020%0.201CC..EExtended strand (participates in β ladder)trans-105.4116.3173.8-178.70000108.1D136 C587 I589 F630 L634 W653D136-V651 HydrophobicContact CB-CB 4.41Å; D136-V651 PolarHBondContact N-O 3.1Å; D136-V651 PolarHBondContact O-N 2.95Å; C587-V651 HydrophobicContact CB-CG1 4.17Å; I589-V651 HydrophobicContact CD1-CG2 4.29Å; I589-V651 HydrophobicContact CG1-CG1 4.31Å; I589-V651 HydrophobicContact CG1-CG2 4.13Å; F630-V651 HydrophobicContact CD1-CG1 4.08Å; F630-V651 HydrophobicContact CD1-CG2 3.87Å; F630-V651 HydrophobicContact CE1-CG2 4.48Å; L634-V651 HydrophobicContact CD1-CG2 4.44Å; V651-W653 HydrophobicContact CG1-CD2 4.13Å; V651-W653 HydrophobicContact CG1-CG 4.34Å; V651-W653 HydrophobicContact CG1-CZ2 4.11Å
652I95Very high91.2Very high0 Ų036.9 Ų36.90%020%0.195CC..EExtended strand (participates in β ladder)trans-101.8106.4173.5-54.677000106.7L133 L134 L135 F182 F263 C587 L588 M590 L654L133-I652 HydrophobicContact CB-CG2 4.16Å; L133-I652 HydrophobicContact CD1-CG2 4.49Å; L133-I652 HydrophobicContact CD2-CG2 4.34Å; L134-I652 CarbonylContact O-C 3.58Å; L134-I652 WeakPolarHBondContact O-CA 3.25Å; L135-I652 HydrophobicContact CD1-CD1 4.45Å; L135-I652 HydrophobicContact CD1-CG1 4.07Å; F182-I652 HydrophobicContact CD1-CD1 4.21Å; F182-I652 HydrophobicContact CD1-CG1 3.71Å; F182-I652 HydrophobicContact CD2-CG1 4Å; F182-I652 HydrophobicContact CE1-CG1 3.63Å; F182-I652 HydrophobicContact CE1-CG2 4.36Å; F182-I652 HydrophobicContact CE2-CG1 3.93Å; F182-I652 HydrophobicContact CE2-CG2 4.05Å; F182-I652 HydrophobicContact CG-CD1 4.17Å; F182-I652 HydrophobicContact CG-CG1 3.89Å; F182-I652 HydrophobicContact CZ-CB 4.45Å; F182-I652 HydrophobicContact CZ-CG1 3.74Å; F182-I652 HydrophobicContact CZ-CG2 3.76Å; F263-I652 HydrophobicContact CZ-CG2 4.48Å; C587-I652 CarbonylContact C-O 3.56Å; C587-I652 WeakPolarHBondContact CA-O 3.22Å; C587-I652 VanDerWaalsContact CB-O 3.31Å; C587-I652 WeakPolarHBondContact CB-O 3.28Å; L588-I652 HydrophobicContact CB-CB 4.31Å; L588-I652 HydrophobicContact CD2-CD1 4.27Å; L588-I652 HydrophobicContact CG-CD1 4.33Å; L588-I652 PolarHBondContact N-O 2.9Å; L588-I652 PolarHBondContact O-N 2.72Å; M590-I652 HydrophobicContact CG-CD1 4.38Å; M590-I652 HydrophobicContact SD-CD1 4.12Å; I652-L654 HydrophobicContact CG2-CD2 3.92Å
653W93.6Very high91Very high0 Ų040.8 Ų40.80%020%0.201CC..EExtended strand (participates in β ladder)trans-76.5127.6178.4-66.396000111.1L134 L586 C587 W613 Y614 I618 H627 F630 V651L134-W653 HydrophobicContact CB-CB 4.17Å; L134-W653 PolarHBondContact N-O 3.09Å; L134-W653 PolarHBondContact O-N 2.78Å; L586-W653 HydrophobicContact CD1-CE3 4.12Å; L586-W653 HydrophobicContact CD1-CZ3 3.94Å; L586-W653 HydrophobicContact CD2-CZ3 4.39Å; L586-W653 HydrophobicContact CG-CE3 4.38Å; L586-W653 HydrophobicContact CG-CZ3 4.03Å; C587-W653 HydrophobicContact CB-CD2 4.22Å; C587-W653 HydrophobicContact CB-CE3 3.74Å; C587-W653 HydrophobicContact CB-CZ3 4.17Å; W613-W653 AromaticContact CD1-CH2 3.79Å; W613-W653 AromaticContact CD1-CZ2 3.72Å; Y614-W653 HydrophobicContact CD2-CZ3 4.29Å; I618-W653 HydrophobicContact CD1-CD2 3.84Å; I618-W653 HydrophobicContact CD1-CE3 3.88Å; I618-W653 HydrophobicContact CD1-CH2 3.86Å; I618-W653 HydrophobicContact CD1-CZ2 3.79Å; I618-W653 HydrophobicContact CD1-CZ3 3.91Å; H627-W653 HydrophobicContact CB-CG 4.26Å; H627-W653 AromaticContact CD2-CD1 3.67Å; H627-W653 PolarHBondContact O-NE1 3.41Å; F630-W653 HydrophobicContact CB-CZ2 3.91Å; F630-W653 HydrophobicContact CD1-CH2 4.01Å; F630-W653 AromaticContact CD1-CZ2 3.71Å; F630-W653 HydrophobicContact CD1-CZ2 3.71Å; F630-W653 HydrophobicContact CE1-CH2 4.47Å; F630-W653 HydrophobicContact CG-CH2 4.47Å; F630-W653 HydrophobicContact CG-CZ2 4.01Å; V651-W653 HydrophobicContact CG1-CD2 4.13Å; V651-W653 HydrophobicContact CG1-CG 4.34Å; V651-W653 HydrophobicContact CG1-CZ2 4.11Å
654L93.4Very high90.7Very high3 Ų342.7 Ų42.72%0.01622%0.221CC..  trans-110.5-6.7-173-57.9-176.8000113.4L133 F263 I268 L280 P585 L586 L588 I652 K656 W657L133-L654 HydrophobicContact CD2-CD2 3.4Å; F263-L654 HydrophobicContact CE1-CD1 4.09Å; F263-L654 HydrophobicContact CE1-CD2 3.54Å; F263-L654 HydrophobicContact CE1-CG 4.49Å; F263-L654 HydrophobicContact CZ-CD1 4.26Å; F263-L654 HydrophobicContact CZ-CD2 3.8Å; I268-L654 HydrophobicContact CD1-CD1 4.36Å; L280-L654 HydrophobicContact CD1-CD1 3.59Å; P585-L654 HydrophobicContact CB-CD1 3.97Å; P585-L654 HydrophobicContact CG-CB 4.35Å; P585-L654 HydrophobicContact CG-CD1 3.68Å; P585-L654 WeakPolarHBondContact O-CB 3.48Å; L586-L654 WeakPolarHBondContact O-CA 3.44Å; L586-L654 PolarHBondContact O-N 3.27Å; L588-L654 HydrophobicContact CB-CD1 4.16Å; I652-L654 HydrophobicContact CG2-CD2 3.92Å; L654-K656 PolarHBondContact O-N 2.84Å; L654-W657 HydrophobicContact CB-CB 4.34Å; L654-W657 HydrophobicContact CB-CE3 4.37Å; L654-W657 HydrophobicContact CD1-CE3 4.25Å; L654-W657 HydrophobicContact CD1-CZ3 4.46Å; L654-W657 HydrophobicContact CD2-CB 4.43Å; L654-W657 HydrophobicContact CD2-CE3 4.2Å; L654-W657 HydrophobicContact CG-CE3 4.5Å; L654-W657 WeakPolarHBondContact O-CB 3.28Å; L654-W657 PolarHBondContact O-N 3.14Å
655H87.8Confident90.6Very high49 Ų4940.1 Ų40.123%0.22720%0.201CC..THydrogen-bonded Turntrans-56.3-16.1179.568.6-90.1000116.2L586 Y614L586-H655 HydrophobicContact CD1-CB 4.27Å; L586-H655 PolarHBondContact O-N 3.27Å; L586-H655 VanDerWaalsContact O-N 3.15Å; Y614-H655 HydrophobicContact CE2-CB 3.65Å; Y614-H655 AromaticContact CE2-CD2 3.89Å; Y614-H655 AromaticContact CE2-CG 3.54Å; Y614-H655 AromaticContact CE2-ND1 3.89Å
656K87.4Confident90.4Very high75 Ų7541.7 Ų41.733%0.32621%0.211SC..THydrogen-bonded Turntrans-105.5-13.9170.4-67.3-171.9179.4-179.40114N132 L134 C624 L654 K658N132-K656 HydrophobicContact CB-CB 3.83Å; N132-K656 WeakPolarHBondContact CB-O 3.44Å; L134-K656 HydrophobicContact CD1-CD 4.5Å; C624-K656 WeakPolarHBondContact SG-CE 3.46Å; C624-K656 PolarHBondContact SG-NZ 3.45Å; L654-K656 PolarHBondContact O-N 2.84Å; K656-K658 PolarHBondContact O-N 3.18Å
657W89.9Confident89.9Confident26 Ų2642.4 Ų42.410%0.09822%0.216CC..  trans-58.2130.2-179.3-178.341000108.4N132 L133 F263 G265 I268 W562 P585 L654 P659N132-W657 PolarHBondContact O-N 3.05Å; L133-W657 HydrophobicContact CD2-CB 3.99Å; L133-W657 HydrophobicContact CD2-CD2 4.41Å; L133-W657 HydrophobicContact CD2-CG 3.86Å; F263-W657 HydrophobicContact CD1-CD2 4.5Å; F263-W657 AromaticContact CD1-CH2 3.98Å; F263-W657 HydrophobicContact CD1-CH2 3.98Å; F263-W657 AromaticContact CD1-CZ2 3.86Å; F263-W657 HydrophobicContact CD1-CZ2 3.86Å; F263-W657 HydrophobicContact CD1-CZ3 4.35Å; F263-W657 HydrophobicContact CE1-CE3 4.32Å; F263-W657 HydrophobicContact CE1-CH2 4.2Å; F263-W657 HydrophobicContact CE1-CZ2 4.44Å; F263-W657 HydrophobicContact CE1-CZ3 4.13Å; G265-W657 WeakPolarHBondContact O-CZ2 3.31Å; I268-W657 HydrophobicContact CD1-CH2 4.13Å; I268-W657 HydrophobicContact CD1-CZ3 3.99Å; I268-W657 HydrophobicContact CG1-CH2 3.87Å; I268-W657 HydrophobicContact CG1-CZ3 4.26Å; W562-W657 HydrophobicContact CH2-CZ3 4.3Å; W562-W657 AromaticContact CZ3-CH2 3.86Å; W562-W657 HydrophobicContact CZ3-CH2 3.86Å; W562-W657 AromaticContact CZ3-CZ3 3.69Å; W562-W657 HydrophobicContact CZ3-CZ3 3.69Å; P585-W657 HydrophobicContact CG-CZ3 4.35Å; L654-W657 HydrophobicContact CB-CB 4.34Å; L654-W657 HydrophobicContact CB-CE3 4.37Å; L654-W657 HydrophobicContact CD1-CE3 4.25Å; L654-W657 HydrophobicContact CD1-CZ3 4.46Å; L654-W657 HydrophobicContact CD2-CB 4.43Å; L654-W657 HydrophobicContact CD2-CE3 4.2Å; L654-W657 HydrophobicContact CG-CE3 4.5Å; L654-W657 WeakPolarHBondContact O-CB 3.28Å; L654-W657 PolarHBondContact O-N 3.14Å; W657-P659 HydrophobicContact CD2-CG 3.99Å; W657-P659 HydrophobicContact CE3-CG 4.04Å; W657-P659 HydrophobicContact CH2-CG 4.17Å; W657-P659 HydrophobicContact CZ2-CB 4.49Å; W657-P659 HydrophobicContact CZ2-CG 4.1Å; W657-P659 HydrophobicContact CZ3-CG 4.14Å; W657-P659 WeakPolarHBondContact O-CD 3.31Å
658K87Confident88.7Confident162 Ų16247.5 Ų47.570%0.70424%0.243SC*.  trans-115.191.9174.6-69.8-179.3-178.8-1770106.1K656 T660K656-K658 PolarHBondContact O-N 3.18Å; K658-T660 PolarHBondContact O-N 3.23Å
659P86.2Confident86.8Confident40 Ų4049.2 Ų49.226%0.2626%0.255SS..  trans-42128.1171.3-3539.5000110.9D266 A564 M584 W657D266-P659 HydrophobicContact CB-CB 3.8Å; A564-P659 HydrophobicContact CB-CB 3.7Å; A564-P659 HydrophobicContact CB-CG 3.65Å; M584-P659 HydrophobicContact SD-CG 3.85Å; W657-P659 HydrophobicContact CD2-CG 3.99Å; W657-P659 HydrophobicContact CE3-CG 4.04Å; W657-P659 HydrophobicContact CH2-CG 4.17Å; W657-P659 HydrophobicContact CZ2-CB 4.49Å; W657-P659 HydrophobicContact CZ2-CG 4.1Å; W657-P659 HydrophobicContact CZ3-CG 4.14Å; W657-P659 WeakPolarHBondContact O-CD 3.31Å
660T87.2Confident84.5Confident79 Ų7956.6 Ų56.649%0.48529%0.289SS..  trans-117.113717453.40000108G265 D266 K658 L662G265-T660 CarbonylContact C-O 2.91Å; G265-T660 WeakPolarHBondContact CA-O 3.45Å; G265-T660 PolarHBondContact O-N 2.97Å; D266-T660 PolarHBondContact N-O 2.92Å; K658-T660 PolarHBondContact O-N 3.23Å; T660-L662 PolarHBondContact O-N 3.18Å
661K89.1Confident81.8Confident164 Ų16459.3 Ų59.371%0.71331%0.308SS*.  trans-45.8126.1179-177.3167.1-174.1159.70111.2D266 K663D266-K661 WeakPolarHBondContact OD2-CA 3.43Å; K661-K663 WeakPolarHBondContact O-CG 3.11Å; K661-K663 PolarHBondContact O-N 3.36Å
662L88.9Confident79Confident34 Ų3464.5 Ų64.518%0.17834%0.335CS..  trans-50.3124.5178.1-169.468.9000111.7I228 A264 D266 T660 W665 V667I228-L662 HydrophobicContact CD1-CD1 4.46Å; A264-L662 HydrophobicContact CB-CD1 3.61Å; A264-L662 WeakPolarHBondContact O-CD1 3.5Å; D266-L662 WeakPolarHBondContact OD1-CB 3.43Å; D266-L662 PolarHBondContact OD1-N 3.42Å; T660-L662 PolarHBondContact O-N 3.18Å; L662-W665 HydrophobicContact CD1-CB 3.9Å; L662-W665 HydrophobicContact CD1-CG 4.38Å; L662-W665 HydrophobicContact CD2-CB 3.99Å; L662-W665 WeakPolarHBondContact CD2-O 3.34Å; L662-W665 HydrophobicContact CG-CB 3.94Å; L662-V667 HydrophobicContact CD2-CG1 4.13Å
663K88.3Confident76Confident121 Ų12167.9 Ų67.953%0.52636%0.363SS..  trans-116.4136.5177-58.6-176.5-177.9178.70111D175 F176 S177 K661 W665D175-K663 CarbonylContact O-C 3.58Å; D175-K663 WeakPolarHBondContact O-CB 3.37Å; F176-K663 WeakPolarHBondContact CA-O 3.33Å; S177-K663 PolarHBondContact N-O 3.29Å; S177-K663 PolarHBondContact OG-N 2.59Å; K661-K663 WeakPolarHBondContact O-CG 3.11Å; K661-K663 PolarHBondContact O-N 3.36Å; K663-W665 PolarHBondContact O-N 2.97Å
664G84.3Confident73.4Confident45 Ų4570.8 Ų70.846%0.46438%0.384SS..SBendtrans73.3-15.3174.100000116.1D175 F176D175-G664 PolarHBondContact O-N 2.66Å; F176-G664 VanDerWaalsContact CE1-O 3.3Å; F176-G664 WeakPolarHBondContact CE1-O 3.1Å
665W87.1Confident71Confident13 Ų1373.5 Ų73.55%0.04940%0.402CS..  trans-109.2161.7-178.8-55.1108.6000112.4L158 F176 S177 I179 L209 H212 I213 I228 L662 K663L158-W665 HydrophobicContact CD1-CZ2 3.68Å; L158-W665 HydrophobicContact CD2-CH2 3.81Å; L158-W665 HydrophobicContact CD2-CZ2 3.51Å; L158-W665 HydrophobicContact CG-CZ2 4.19Å; F176-W665 HydrophobicContact CB-CZ2 4.01Å; F176-W665 HydrophobicContact CD1-CD2 4.2Å; F176-W665 AromaticContact CD1-CE2 3.66Å; F176-W665 HydrophobicContact CD1-CH2 4.08Å; F176-W665 AromaticContact CD1-CZ2 3.55Å; F176-W665 HydrophobicContact CD1-CZ2 3.55Å; F176-W665 HydrophobicContact CE1-CZ2 4.43Å; F176-W665 HydrophobicContact CG-CZ2 4.06Å; S177-W665 PolarHBondContact O-NE1 2.88Å; I179-W665 HydrophobicContact CD1-CD2 3.86Å; I179-W665 HydrophobicContact CD1-CE3 4.39Å; I179-W665 HydrophobicContact CD1-CG 4.25Å; I179-W665 HydrophobicContact CD1-CZ2 3.99Å; L209-W665 HydrophobicContact CB-CH2 4Å; L209-W665 HydrophobicContact CB-CZ3 4.49Å; L209-W665 HydrophobicContact CD2-CE3 4.1Å; L209-W665 HydrophobicContact CD2-CH2 3.64Å; L209-W665 HydrophobicContact CD2-CZ2 4.27Å; L209-W665 HydrophobicContact CD2-CZ3 3.51Å; L209-W665 HydrophobicContact CG-CH2 4.42Å; H212-W665 HydrophobicContact CB-CZ3 4.38Å; H212-W665 AromaticContact ND1-CE3 3.8Å; H212-W665 AromaticContact ND1-CZ3 3.25Å; H212-W665 WeakPolarHBondContact ND1-CZ3 3.39Å; I213-W665 HydrophobicContact CD1-CH2 3.82Å; I213-W665 HydrophobicContact CD1-CZ2 3.99Å; I213-W665 HydrophobicContact CG1-CH2 3.74Å; I213-W665 HydrophobicContact CG1-CZ2 4.27Å; I228-W665 HydrophobicContact CD1-CB 3.78Å; I228-W665 HydrophobicContact CD1-CG 3.99Å; I228-W665 HydrophobicContact CG1-CB 4.19Å; I228-W665 HydrophobicContact CG1-CE3 4.45Å; I228-W665 HydrophobicContact CG1-CG 4.43Å; L662-W665 HydrophobicContact CD1-CB 3.9Å; L662-W665 HydrophobicContact CD1-CG 4.38Å; L662-W665 HydrophobicContact CD2-CB 3.99Å; L662-W665 WeakPolarHBondContact CD2-O 3.34Å; L662-W665 HydrophobicContact CG-CB 3.94Å; K663-W665 PolarHBondContact O-N 2.97Å
666T84.8Confident69Low56 Ų5672.7 Ų72.734%0.34440%0.402SS..  trans-123.6143.916661.50000110.4C227 I228 D668C227-T666 CarbonylContact C-O 3.5Å; C227-T666 WeakPolarHBondContact CA-O 3.47Å; C227-T666 WeakPolarHBondContact CA-OG1 3.16Å; C227-T666 VanDerWaalsContact CB-O 3.32Å; C227-T666 WeakPolarHBondContact CB-O 3.35Å; I228-T666 PolarHBondContact N-O 3.33Å; T666-D668 PolarHBondContact OG1-O 3.4Å
667V79.5Confident67.1Low18 Ų1875.4 Ų75.411%0.10942%0.42CS..SBendtrans-97.6-31.4164.7-700000110.8T267 I561 L662 C669T267-V667 HydrophobicContact CG2-CG1 4.05Å; I561-V667 HydrophobicContact CD1-CB 4.22Å; I561-V667 HydrophobicContact CG2-CB 4.24Å; I561-V667 HydrophobicContact CG2-CG1 4.26Å; L662-V667 HydrophobicContact CD2-CG1 4.13Å; V667-C669 PolarHBondContact O-N 3.27Å; V667-C669 PolarHBondContact O-SG 3.31Å; V667-C669 VanDerWaalsContact O-SG 3.35Å
668D69.8Low65.1Low107 Ų10774.5 Ų74.557%0.57242%0.417SS*.SBendtrans-66.9119.4171.1-58.7-50.4000111.3T666 H670T666-D668 PolarHBondContact OG1-O 3.4Å; D668-H670 VanDerWaalsContact C-N 3.35Å; D668-H670 PolarHBondContact O-N 2.82Å
669C54.9Low62.9Low37 Ų3773 Ų7325%0.2541%0.407CS..  trans-93.671.2178.5-480000109.2C227 R533 V667 S671C227-C669 HydrophobicContact CB-CB 4.08Å; C227-C669 WeakPolarHBondContact CB-SG 3.43Å; C227-C669 WeakPolarHBondContact SG-CB 3.38Å; C227-C669 CovalentContact SG-SG 2.04Å; C227-C669 PolarHBondContact SG-SG 3.17Å; R533-C669 PolarHBondContact NH1-SG 2.64Å; R533-C669 PolarHBondContact NH2-SG 3.33Å; V667-C669 PolarHBondContact O-N 3.27Å; V667-C669 PolarHBondContact O-SG 3.31Å; V667-C669 VanDerWaalsContact O-SG 3.35Å; C669-S671 PolarHBondContact O-N 3.47Å
670H49.2Very low60.9Low155 Ų15573 Ų7372%0.71840%0.402SS*.  trans-56.2125.6173-71.1-46.9000110D668 L672D668-H670 VanDerWaalsContact C-N 3.35Å; D668-H670 PolarHBondContact O-N 2.82Å; H670-L672 PolarHBondContact O-N 3.37Å
671S39.1Very low58.4Low62 Ų6272.6 Ų72.643%0.43440%0.4SS..  trans-79.161.7-159-125.50000114.2C669 A673 R682C669-S671 PolarHBondContact O-N 3.47Å; S671-A673 PolarHBondContact O-N 3.39Å; S671-R682 VanDerWaalsContact CB-CZ 3.44Å; S671-R682 PolarHBondContact O-NH1 3.1Å; S671-R682 PolarHBondContact O-NH2 2.95Å; S671-R682 WeakPolarHBondContact OG-CD 3.35Å; S671-R682 PolarHBondContact OG-NE 3.27Å; S671-R682 PolarHBondContact OG-NH2 3.35Å
672L36.6Very low55.7Low109 Ų10969.9 Ų69.957%0.57139%0.386SS*.  trans-66.8116.7170.8-78.7163.1000109.8H670 S674H670-L672 PolarHBondContact O-N 3.37Å; L672-S674 VanDerWaalsContact C-N 3.25Å; L672-S674 PolarHBondContact O-N 3.24Å
673A32.4Very low52.9Low70 Ų7077.1 Ų77.158%0.57942%0.418SS*.  trans-81.557.2-16800000113.2S671 R679S671-A673 PolarHBondContact O-N 3.39Å; A673-R679 PolarHBondContact O-NH2 3.24Å
674S38Very low50.1Low62 Ų6274.1 Ų74.143%0.43441%0.413SS..SBendtrans-152.4134.5173.7-164.90000114L672 S676L672-S674 VanDerWaalsContact C-N 3.25Å; L672-S674 PolarHBondContact O-N 3.24Å; S674-S676 PolarHBondContact O-N 2.9Å
675S44.2Very low47.6Very low59 Ų5978.1 Ų78.141%0.41341%0.414SS..  trans73.56.9152.574.60000122.8Y224Y224-S675 WeakPolarHBondContact CD2-OG 3.49Å; Y224-S675 WeakPolarHBondContact CE2-O 3.45Å; Y224-S675 WeakPolarHBondContact CE2-OG 3.39Å; Y224-S675 PolarHBondContact OH-O 2.87Å
676S44.4Very low44.9Very low32 Ų3278.3 Ų78.322%0.22442%0.416CS..  trans-82134.4159.365.10000110.7S674 V678S674-S676 PolarHBondContact O-N 2.9Å; S676-V678 VanDerWaalsContact C-N 3.27Å; S676-V678 WeakPolarHBondContact CB-O 3.07Å; S676-V678 PolarHBondContact OG-O 2.97Å
677L48.1Very low42.5Very low132 Ų13276.8 Ų76.869%0.69141%0.407SS*.SBendtrans-68.9-33.4171.6-74.5169.3000111
678V48.5Very low40.4Very low7 Ų777.4 Ų77.44%0.04241%0.412CS..  trans-93.2123.1173.3164.80000109.9A233 H237 L556 S676A233-V678 HydrophobicContact CB-CG1 3.65Å; H237-V678 HydrophobicContact CB-CG2 3.84Å; L556-V678 HydrophobicContact CD2-CB 4.19Å; L556-V678 HydrophobicContact CD2-CG1 3.4Å; L556-V678 VanDerWaalsContact CD2-CG1 3.4Å; L556-V678 HydrophobicContact CD2-CG2 4Å; S676-V678 VanDerWaalsContact C-N 3.27Å; S676-V678 WeakPolarHBondContact CB-O 3.07Å; S676-V678 PolarHBondContact OG-O 2.97Å
679R40.8Very low38.5Very low132 Ų13279.7 Ų79.750%0.49842%0.424SS..  trans-127.1122.1168.7-78.2-175.7173.7177.3-0.7110.4A673A673-R679 PolarHBondContact O-NH2 3.24Å
680W43.9Very low37.6Very low40 Ų4081.7 Ų81.715%0.15243%0.434CS..PPolyproline II helixtrans-65.2141.4163.1-6799.4000110.4R533 L556 P557 I559 R682R533-W680 HydrophobicContact CB-CD2 4.38Å; R533-W680 HydrophobicContact CB-CE3 3.99Å; R533-W680 HydrophobicContact CB-CH2 3.46Å; R533-W680 VanDerWaalsContact CB-CH2 3.46Å; R533-W680 HydrophobicContact CB-CZ2 3.96Å; R533-W680 HydrophobicContact CB-CZ3 3.52Å; L556-W680 HydrophobicContact CB-CH2 4.49Å; L556-W680 HydrophobicContact CD1-CD2 4.27Å; L556-W680 HydrophobicContact CD1-CE3 4.02Å; L556-W680 HydrophobicContact CD1-CZ3 4.28Å; P557-W680 WeakPolarHBondContact O-CH2 3.49Å; P557-W680 WeakPolarHBondContact O-CZ2 3.32Å; I559-W680 HydrophobicContact CB-CZ2 4.38Å; I559-W680 HydrophobicContact CD1-CZ2 3.81Å; I559-W680 HydrophobicContact CG1-CZ2 3.91Å; W680-R682 PolarHBondContact O-N 3.49Å
681P34.3Very low36.8Very low69 Ų6978.9 Ų78.945%0.44842%0.424SS..PPolyproline II helixtrans-55.7126.9172.2-24.734.6000111
682R32.2Very low36.6Very low107 Ų10783.2 Ų83.240%0.40444%0.441SS..THydrogen-bonded Turntrans-79.4137.4-177.5-64.1-178.7176.6-147.6-14.5110.9S671 W680 S684S671-R682 VanDerWaalsContact CB-CZ 3.44Å; S671-R682 PolarHBondContact O-NH1 3.1Å; S671-R682 PolarHBondContact O-NH2 2.95Å; S671-R682 WeakPolarHBondContact OG-CD 3.35Å; S671-R682 PolarHBondContact OG-NE 3.27Å; S671-R682 PolarHBondContact OG-NH2 3.35Å; W680-R682 PolarHBondContact O-N 3.49Å; R682-S684 PolarHBondContact O-N 3.44Å
683H31.4Very low36.4Very low187 Ų18784.9 Ų84.987%0.86645%0.451SS*.THydrogen-bonded Turntrans57.826.1171.8-50.8107.1000116
684S29.2Very low36.5Very low58 Ų5882.3 Ų82.341%0.40643%0.429SS..  trans-132.1112.9174.4-129.20000107.7R682 V686R682-S684 PolarHBondContact O-N 3.44Å; S684-V686 PolarHBondContact O-N 3.18Å; S684-V686 WeakPolarHBondContact OG-CB 3.2Å; S684-V686 WeakPolarHBondContact OG-CG2 3.3Å
685R30.7Very low36.4Very low128 Ų12884.5 Ų84.548%0.48344%0.441SS..SBendtrans-7442.1160.4-62.6-144.6-169.981.2-6.5110.3I470 T472I470-R685 VanDerWaalsContact O-O 3.06Å; T472-R685 WeakPolarHBondContact O-CB 3.26Å; T472-R685 WeakPolarHBondContact O-CD 3.4Å; T472-R685 WeakPolarHBondContact O-CG 3.48Å; T472-R685 PolarHBondContact O-NH1 2.79Å; T472-R685 WeakPolarHBondContact OG1-CB 3.39Å; T472-R685 WeakPolarHBondContact OG1-CD 3.24Å
686V30.4Very low36.2Very low18 Ų1886.8 Ų86.811%0.10945%0.453CS..SBendtrans-129127.7-168.7-172.90000108.4I470 L471 S684 S688I470-V686 WeakPolarHBondContact O-CA 3.28Å; I470-V686 WeakPolarHBondContact O-CB 3.4Å; I470-V686 WeakPolarHBondContact O-CG1 3.33Å; I470-V686 VanDerWaalsContact O-CG2 3.3Å; I470-V686 WeakPolarHBondContact O-CG2 3.12Å; L471-V686 HydrophobicContact CB-CG2 4.06Å; L471-V686 HydrophobicContact CD1-CG2 3.95Å; L471-V686 HydrophobicContact CG-CG2 4.07Å; S684-V686 PolarHBondContact O-N 3.18Å; S684-V686 WeakPolarHBondContact OG-CB 3.2Å; S684-V686 WeakPolarHBondContact OG-CG2 3.3Å; V686-S688 PolarHBondContact O-N 2.96Å
687T35.4Very low36.1Very low24 Ų2489.9 Ų89.915%0.14747%0.467CS..SBendtrans-61.2100169.4380000110.9F460 L689F460-T687 HydrophobicContact CE1-CG2 4.24Å; F460-T687 HydrophobicContact CZ-CG2 3.88Å; T687-L689 PolarHBondContact O-N 3.49Å
688S34.7Very low35.4Very low31 Ų3187.1 Ų87.122%0.21746%0.456CS..  trans44.871.7150.462.50000117.6V686 V690V686-S688 PolarHBondContact O-N 2.96Å; S688-V690 VanDerWaalsContact C-N 3.29Å; S688-V690 PolarHBondContact O-N 2.94Å; S688-V690 VanDerWaalsContact O-N 3.12Å
689L31.1Very low34.8Very low155 Ų15594 Ų9481%0.81249%0.491SS*.  trans-75.387.2149.4-115.6167.3000108.4T687 N691T687-L689 PolarHBondContact O-N 3.49Å; L689-N691 PolarHBondContact O-N 3.36Å
690V34.4Very low34.6Very low79 Ų7993.7 Ų93.748%0.47950%0.504SS..  trans-69.3116.9168.11660000108L553 S688 I692L553-V690 HydrophobicContact CD1-CG2 4.29Å; L553-V690 HydrophobicContact CD2-CG2 3.5Å; L553-V690 VanDerWaalsContact CD2-CG2 3.5Å; L553-V690 HydrophobicContact CG-CG2 3.94Å; S688-V690 VanDerWaalsContact C-N 3.29Å; S688-V690 PolarHBondContact O-N 2.94Å; S688-V690 VanDerWaalsContact O-N 3.12Å; V690-I692 WeakPolarHBondContact O-CG1 3.44Å; V690-I692 PolarHBondContact O-N 2.66Å
691N33.2Very low34Very low95 Ų95101.5 Ų101.551%0.50853%0.533SS..  trans-72.592.8174.8-175.8-2.3000109.7L689 N693 S694L689-N691 PolarHBondContact O-N 3.36Å; N691-N693 PolarHBondContact O-N 3.31Å; N691-N693 PolarHBondContact OD1-N 3.38Å; N691-N693 VanDerWaalsContact OD1-N 3.12Å; N691-S694 WeakPolarHBondContact O-CB 3.26Å; N691-S694 PolarHBondContact O-N 3.07Å
692I34Very low33.7Very low154 Ų154101 Ų10179%0.7954%0.54SS*.THydrogen-bonded Turntrans-56.5-20.4-179-43.1-179.5000112.1V690V690-I692 WeakPolarHBondContact O-CG1 3.44Å; V690-I692 PolarHBondContact O-N 2.66Å
693N32.6Very low33.7Very low144 Ų144101.8 Ų101.877%0.7756%0.559SS**THydrogen-bonded Turntrans-100.96.2-176.5-60.6-32.1000114.2N691 P695N691-N693 PolarHBondContact O-N 3.31Å; N691-N693 PolarHBondContact OD1-N 3.38Å; N691-N693 VanDerWaalsContact OD1-N 3.12Å; N693-P695 VanDerWaalsContact O-CD 3.31Å; N693-P695 WeakPolarHBondContact O-CD 3.48Å
694S35.6Very low33.7Very low16 Ų16104.3 Ų104.311%0.11256%0.561CS.*  trans-80.3112.6177.3172.40000111.5N691 T696 D697N691-S694 WeakPolarHBondContact O-CB 3.26Å; N691-S694 PolarHBondContact O-N 3.07Å; S694-T696 PolarHBondContact O-N 2.79Å; S694-T696 PolarHBondContact OG-OG1 3.23Å; S694-D697 WeakPolarHBondContact CB-OD2 3.39Å; S694-D697 PolarHBondContact O-N 3.35Å; S694-D697 PolarHBondContact OG-OD2 3.47Å
695P35.5Very low33.8Very low107 Ų107110.9 Ų110.970%0.69558%0.583SS**THydrogen-bonded Turntrans-65-24.8178.3-19.633.7000112.7N693N693-P695 VanDerWaalsContact O-CD 3.31Å; N693-P695 WeakPolarHBondContact O-CD 3.48Å
696T39.4Very low33.7Very low107 Ų107110 Ų11066%0.65660%0.595SS**THydrogen-bonded Turntrans-69.6-30.7178.921.40000113.6S694S694-T696 PolarHBondContact O-N 2.79Å; S694-T696 PolarHBondContact OG-OG1 3.23Å
697D41.8Very low33.7Very low97 Ų97116.7 Ų116.752%0.51963%0.628SS.*G310 helixtrans-85.2-11.2-179.7-62.7-59000112.8S694 L699S694-D697 WeakPolarHBondContact CB-OD2 3.39Å; S694-D697 PolarHBondContact O-N 3.35Å; S694-D697 PolarHBondContact OG-OD2 3.47Å; D697-L699 PolarHBondContact O-N 3.28Å
698V34.7Very low33.3Very low75 Ų75121.5 Ų121.546%0.45566%0.66SS.*G310 helixtrans-65.9-23.6175.5-177.60000112.2V700 R701V698-V700 VanDerWaalsContact C-N 3.34Å; V698-V700 PolarHBondContact O-N 3.33Å; V698-R701 WeakPolarHBondContact O-CG 3.37Å; V698-R701 PolarHBondContact O-N 3.27Å
699L35.5Very low33.2Very low152 Ų152125.1 Ų125.180%0.79669%0.685SS**G310 helixtrans-79.8-7.5-175.6-74.5166000114.8D697 R701D697-L699 PolarHBondContact O-N 3.28Å; L699-R701 PolarHBondContact O-N 2.93Å
700V35.9Very low33.4Very low125 Ų125127.4 Ų127.476%0.75869%0.689SS**G310 helixtrans-77.3-3172.8-1720000111.6V698 G702V698-V700 VanDerWaalsContact C-N 3.34Å; V698-V700 PolarHBondContact O-N 3.33Å; V700-G702 PolarHBondContact O-N 3.18Å
701R31.6Very low33.3Very low204 Ų204132.7 Ų132.777%0.7771%0.71SS**SBendtrans-70.1113.9171.8-68.3179.2175.6-172.3-0.6110.6V698 L699V698-R701 WeakPolarHBondContact O-CG 3.37Å; V698-R701 PolarHBondContact O-N 3.27Å; L699-R701 PolarHBondContact O-N 2.93Å
702G28.5Very low33.2Very low58 Ų58132.9 Ų132.960%0.59872%0.717SS**  trans-52.5152.6179.300000114.3V700 R704V700-G702 PolarHBondContact O-N 3.18Å; G702-R704 PolarHBondContact O-N 3.26Å; G702-R704 VanDerWaalsContact O-N 3.11Å
703P32Very low33.1Very low124 Ų124134.8 Ų134.881%0.80572%0.722SS**  trans-73.3107.2-161.428.2-35.7000113.2K705P703-K705 PolarHBondContact O-N 3.15Å
704R31.6Very low33Very low239 Ų239135.9 Ų135.990%0.90273%0.727SS**  trans-68.795.9160.2-73.5-172.3179.3-175.50.1109.7G702 C706G702-R704 PolarHBondContact O-N 3.26Å; G702-R704 VanDerWaalsContact O-N 3.11Å; R704-C706 PolarHBondContact O-N 2.89Å
705K31Very low32.7Very low197 Ų197142.1 Ų142.186%0.85776%0.764SS**  trans-6992164.2-79-174.1176.1179.30109.9P703P703-K705 PolarHBondContact O-N 3.15Å
706C28.7Very low32.5Very low109 Ų109141.4 Ų141.474%0.73676%0.762SS**  trans-101.2109.7162.4-67.10000108.9R704 P708R704-C706 PolarHBondContact O-N 2.89Å; C706-P708 WeakPolarHBondContact O-CD 3.28Å
707I29.6Very low32.1Very low158 Ų158144.7 Ų144.781%0.8177%0.77SS**  trans-87.5121.1167.2-59.9173.7000107.2
708P28Very low31.5Very low125 Ų125150.6 Ų150.681%0.81279%0.785SS**  trans-97.6123.1179.334-28.9000111.9C706C706-P708 WeakPolarHBondContact O-CD 3.28Å
709S32.5Very low31.1Very low107 Ų107152.6 Ų152.675%0.74880%0.802SS**  trans-140.897.2168.963.20000113.7
710K35Very low30.7Very low204 Ų204154.9 Ų154.989%0.88780%0.801SS**  trans49.895.4145.9-63.9-175.9176.1-178.90120.6
711M31.8Very low30.4Very low189 Ų189153.6 Ų153.693%0.93180%0.798SS**  58.2155.1127.6-86.2-136.3129.100123.3
712P31.6Very low30.2Very low99 Ų99152.2 Ų152.264%0.64381%0.805SS**  trans-122.6167.6-151.342.6-29.7000115.7
713Q33Very low30.1Very low195 Ų195155.7 Ų155.791%0.91181%0.81SS**  trans-139.8144.7156.4-75.4-168.8-27.600111.7
714L29Very low30Very low167 Ų167156.8 Ų156.887%0.87481%0.809SS**  trans-75.9136.8179.6-76.769.6000111.6
715V30.6Very low29.9Very low147 Ų147152.5 Ų152.589%0.89180%0.802SS**  trans-137.5138.5143-179.20000108.6
716S29.9Very low29.9Very low91 Ų91151.5 Ų151.564%0.63680%0.798SS**  trans-89.2172-170.560.90000114.8
717Q31.4Very low30Very low177 Ų177153.7 Ų153.783%0.82780%0.803SS**  trans72.688.9160-59.6177.8500117.8
718R29Very low30.2Very low221 Ų221157.2 Ų157.283%0.83481%0.806SS**  -162.7134.6106.6-105.7172.4-175.7-176.91.4111.7Y720R718-Y720 HydrophobicContact CB-CE2 4.48Å; R718-Y720 PolarHBondContact O-N 2.86Å
719S26.7Very low30.4Very low116 Ų116158.5 Ų158.581%0.81181%0.806SS**  trans-74.8113.4179.549.20000111.7
720Y28.2Very low30.5Very low200 Ų200159 Ų15978%0.78480%0.8SS**  trans-131.1119.4157.1-71.7-78.7000107.9R718 L722R718-Y720 HydrophobicContact CB-CE2 4.48Å; R718-Y720 PolarHBondContact O-N 2.86Å; Y720-L722 PolarHBondContact O-N 3.17Å
721S28.3Very low30.5Very low99 Ų99154.4 Ų154.469%0.69279%0.793SS**  trans-74.4121.3-177.945.70000110.9N723S721-N723 PolarHBondContact O-N 3.34Å
722L27.2Very low30.6Very low175 Ų175151.9 Ų151.992%0.91678%0.782SS**SBendtrans-7536.8178.5-86.1165.1000113.6Y720Y720-L722 PolarHBondContact O-N 3.17Å
723N27.7Very low30.6Very low130 Ų130150.4 Ų150.470%0.69577%0.773SS**  trans-121.919.5-167.6-74.911.7000114.8S721S721-N723 PolarHBondContact O-N 3.34Å
724N29.1Very low30.6Very low148 Ų148144.9 Ų144.979%0.79174%0.743SS**SBendtrans-148.829.1-169.5-97.5-31.5000117.3
725I30.1Very low30.8Very low148 Ų148142.6 Ų142.676%0.75972%0.724SS**SBendtrans-130.8-10.6178.9-63.6-175.6000115.4
726F31.8Very low31.1Very low177 Ų177136.3 Ų136.378%0.77669%0.687SS**SBendtrans-131.310.2-168.7-78.2-73.4000118.2
727D30.4Very low31.2Very low154 Ų154132.5 Ų132.582%0.82466%0.66SS**  trans-124.234.8-155.8-108.9-22.8000117.3
728R32.7Very low31.1Very low232 Ų232129 Ų12988%0.87565%0.652SS**SBendtrans-136-15.1178.4-82.5-160.9176.2-161.5-2.5121.7
729D33.6Very low31.2Very low153 Ų153122.4 Ų122.482%0.81864%0.638SS**SBendtrans-127.114.5-173.9-74.4-46.3000115.4
730L34.6Very low31.5Very low117 Ų117123.4 Ų123.461%0.61362%0.624SS**SBendtrans-121.29.8-170.7-72.5169.1000115.5
731S33.6Very low31.5Very low108 Ų108121.4 Ų121.476%0.75563%0.627SS**  trans-117.221.5-171.7690000115.3
732I33.3Very low31.7Very low135 Ų135121.2 Ų121.269%0.69262%0.617SS**SBendtrans-110.3122.2179.2-55.3179.1000108.7R734I732-R734 PolarHBondContact O-N 3.49Å
733P32.6Very low31.6Very low69 Ų69118 Ų11845%0.44861%0.605SS.*PPolyproline II helixtrans-55.5128.9170.7-2232.5000109.7Y735P733-Y735 HydrophobicContact CB-CE2 4.17Å; P733-Y735 WeakPolarHBondContact O-CD2 3.28Å; P733-Y735 WeakPolarHBondContact O-CE2 3.47Å
734R33.4Very low31.7Very low79 Ų79119.4 Ų119.430%0.29860%0.602SS.*PPolyproline II helixtrans-94.3117.7-179.5-53.6-164-163.9169.69.9108.2N189 N253 I732N189-R734 VanDerWaalsContact ND2-CD 3.31Å; N189-R734 WeakPolarHBondContact ND2-CD 3.49Å; N253-R734 PolarHBondContact O-NH1 2.92Å; I732-R734 PolarHBondContact O-N 3.49Å
735Y33.5Very low31.7Very low118 Ų118120.4 Ų120.446%0.46360%0.601SS.*PPolyproline II helixtrans-93.9142.1174.8-50.8-87.5000108.5S541 P733 S737S541-Y735 VanDerWaalsContact OG-CD1 3.25Å; S541-Y735 WeakPolarHBondContact OG-CD1 3.35Å; P733-Y735 HydrophobicContact CB-CE2 4.17Å; P733-Y735 WeakPolarHBondContact O-CD2 3.28Å; P733-Y735 WeakPolarHBondContact O-CE2 3.47Å; Y735-S737 VanDerWaalsContact CB-O 3.23Å; Y735-S737 WeakPolarHBondContact CB-O 3.41Å
736S35.1Very low31.5Very low16 Ų16121.1 Ų121.111%0.11260%0.602CS.*SBendtrans-58.6-51.3166.2210000109.9D275D275-S736 VanDerWaalsContact OD2-CB 3.22Å; D275-S736 WeakPolarHBondContact OD2-CB 3.46Å; D275-S736 PolarHBondContact OD2-OG 3.42Å
737S33.4Very low31.5Very low10 Ų10117.8 Ų117.87%0.0760%0.598CS.*SBendtrans-118.2142.9-179.6-11.20000111D275 D593 Y735D275-S737 PolarHBondContact OD2-OG 3.18Å; D593-S737 WeakPolarHBondContact OD2-CB 3.21Å; D593-S737 PolarHBondContact OD2-OG 3.3Å; Y735-S737 VanDerWaalsContact CB-O 3.23Å; Y735-S737 WeakPolarHBondContact CB-O 3.41Å
738P28.1Very low31.7Very low103 Ų103117.8 Ų117.867%0.66960%0.597SS**PPolyproline II helixtrans-63.1142.8169.8-17.430.7000110.7R740P738-R740 PolarHBondContact O-N 3.2Å
739P31.6Very low31.7Very low84 Ų84112.2 Ų112.255%0.54559%0.593SS.*PPolyproline II helixtrans-57.3133.6169.4-20.431.8000110.2
740R33.2Very low31.7Very low137 Ų137112.2 Ų112.252%0.51759%0.591SS.*PPolyproline II helixtrans-73.3128.8171.4-68.3-176.8-174.9-120.5-19.8109.7D597 P738 I742D597-R740 VanDerWaalsContact CG-NH2 3.29Å; D597-R740 PolarHBondContact O-NH1 3.09Å; D597-R740 PolarHBondContact O-NH2 2.88Å; D597-R740 IonicContact OD2-CZ 2.64Å; D597-R740 IonicContact OD2-NE 3.33Å; D597-R740 PolarHBondContact OD2-NE 3.48Å; D597-R740 IonicContact OD2-NH2 3.33Å; D597-R740 PolarHBondContact OD2-NH2 3.32Å; P738-R740 PolarHBondContact O-N 3.2Å; R740-I742 VanDerWaalsContact C-N 3.28Å; R740-I742 HydrophobicContact CB-CG1 4.37Å; R740-I742 PolarHBondContact O-N 3.41Å
741D29.2Very low31.8Very low158 Ų158112 Ų11285%0.84560%0.6SS**  trans-64.695.2154-72.5-39.2000107.5V743D741-V743 PolarHBondContact O-N 3.42Å
742I31.2Very low31.9Very low94 Ų94112 Ų11248%0.48260%0.599SS.*  trans-71.390.3170.8-57.6177.2000106.9E455 R740 Y744E455-I742 HydrophobicContact CB-CD1 4.42Å; R740-I742 VanDerWaalsContact C-N 3.28Å; R740-I742 HydrophobicContact CB-CG1 4.37Å; R740-I742 PolarHBondContact O-N 3.41Å; I742-Y744 HydrophobicContact CB-CD2 4.49Å; I742-Y744 HydrophobicContact CB-CE2 4.36Å; I742-Y744 HydrophobicContact CG2-CD1 4.44Å; I742-Y744 HydrophobicContact CG2-CD2 3.76Å; I742-Y744 HydrophobicContact CG2-CE1 4.31Å; I742-Y744 HydrophobicContact CG2-CE2 3.62Å; I742-Y744 HydrophobicContact CG2-CG 4.19Å; I742-Y744 PolarHBondContact O-N 2.98Å
743V26.2Very low32Very low109 Ų109117.1 Ų117.166%0.66163%0.628SS**  trans-67.688.1166.2-177.70000107.3D741 H745D741-V743 PolarHBondContact O-N 3.42Å; V743-H745 VanDerWaalsContact C-N 3.34Å; V743-H745 PolarHBondContact O-N 3.2Å
744Y29.4Very low32Very low158 Ų158119.5 Ų119.562%0.6264%0.637SS**  trans-63.3100.1161.3-78.1-73.6000107.7R517 I742 Q746R517-Y744 PolarHBondContact NH1-OH 2.66Å; I742-Y744 HydrophobicContact CB-CD2 4.49Å; I742-Y744 HydrophobicContact CB-CE2 4.36Å; I742-Y744 HydrophobicContact CG2-CD1 4.44Å; I742-Y744 HydrophobicContact CG2-CD2 3.76Å; I742-Y744 HydrophobicContact CG2-CE1 4.31Å; I742-Y744 HydrophobicContact CG2-CE2 3.62Å; I742-Y744 HydrophobicContact CG2-CG 4.19Å; I742-Y744 PolarHBondContact O-N 2.98Å; Y744-Q746 PolarHBondContact O-N 3.35Å
745H29.3Very low31.9Very low170 Ų170121.6 Ų121.679%0.78766%0.655SS**  trans-61.593.3153-79.8-73.9000107.1V743V743-H745 VanDerWaalsContact C-N 3.34Å; V743-H745 PolarHBondContact O-N 3.2Å
746Q26.3Very low31.8Very low163 Ų163121.8 Ų121.876%0.76267%0.666SS**  trans-57.6132156.7-74-175.5-90.700106.5Y744 D748Y744-Q746 PolarHBondContact O-N 3.35Å; Q746-D748 PolarHBondContact O-N 2.88Å
747P31.7Very low31.6Very low107 Ų107128.1 Ų128.170%0.69570%0.698SS**  trans-60.1132.4163.827.6-32.1000107C749P747-C749 PolarHBondContact O-N 2.82Å
748D32.8Very low31.5Very low153 Ų153135.4 Ų135.482%0.81874%0.737SS**  trans-60.399.2178.3-72.2-54.3000109.4Q746 I750Q746-D748 PolarHBondContact O-N 2.88Å; D748-I750 PolarHBondContact O-N 3.48Å
749C33Very low31.8Very low115 Ų115137.6 Ų137.678%0.77774%0.742SS**  trans-70.787.6168.8-67.80000107.7P747 S751P747-C749 PolarHBondContact O-N 2.82Å; C749-S751 VanDerWaalsContact C-N 3.34Å; C749-S751 PolarHBondContact O-N 2.87Å
750I35Very low31.8Very low154 Ų154141.4 Ų141.479%0.7976%0.756SS**  trans-57.798.1168.4-60.7170.3000107.4D748 S752D748-I750 PolarHBondContact O-N 3.48Å; I750-S752 PolarHBondContact O-N 3.34Å
751S36.6Very low31.7Very low113 Ų113141.8 Ų141.879%0.7977%0.774SS**  trans-76.8108.4164.958.30000107.8C749 D753C749-S751 VanDerWaalsContact C-N 3.34Å; C749-S751 PolarHBondContact O-N 2.87Å; S751-D753 PolarHBondContact O-N 3.39Å
752S35.5Very low31.9Very low107 Ų107140.4 Ų140.475%0.74877%0.769SS**  trans-69.2116.9170.7530000111I750I750-S752 PolarHBondContact O-N 3.34Å
753D35.3Very low31.9Very low242 Ų242144.6 Ų144.6100%1.29480%0.795SS**  trans-113.10140.3-91.3-27.8000107S751S751-D753 PolarHBondContact O-N 3.39Å

Retrieved 753 of 753 residues in 152.3 ms (Link to these results)

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