A0A3Q0KTD5_SCHMA Loading...

tRNA (cytosine(34)-C(5))-methyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KTD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 738 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
1M29.6Very low33.1Very low240 Ų240166.4 Ų166.4100%1.18282%0.824SS**  092.10-76.4-172-101.500109R3M1-R3 PolarHBondContact O-N 3.07Å; M1-R3 VanDerWaalsContact O-N 3.13Å
2G35.6Very low34.4Very low80 Ų80165.3 Ų165.383%0.82582%0.816SS**  trans-73.9101.817500000109.2R4G2-R4 PolarHBondContact O-N 3.31Å
3R31.9Very low36.6Very low242 Ų242166.9 Ų166.991%0.91382%0.819SS**  trans-56113.4170.2-77.3-177.5175.8179.9-1.2107.4M1 R5M1-R3 PolarHBondContact O-N 3.07Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-R5 PolarHBondContact O-N 3.4Å
4R29.7Very low39.1Very low243 Ų243156.5 Ų156.592%0.91777%0.768SS**  trans-49.9113.5171.1-75.7178.9172.3179.1-2.3107.4G2 P6G2-R4 PolarHBondContact O-N 3.31Å; R4-P6 VanDerWaalsContact O-CD 3.31Å; R4-P6 WeakPolarHBondContact O-CD 3.28Å
5R32.5Very low41.8Very low209 Ų209154.5 Ų154.579%0.78975%0.754SS**  trans-63117162.5-76.4-176.3178.8-177.31.4105.2R3 A7R3-R5 PolarHBondContact O-N 3.4Å; R5-A7 PolarHBondContact O-N 2.96Å
6P29.5Very low44.1Very low108 Ų108150.8 Ų150.870%0.70175%0.745SS**  trans-58.9135.5178.918.7-23.8000108.2R4 I8R4-P6 VanDerWaalsContact O-CD 3.31Å; R4-P6 WeakPolarHBondContact O-CD 3.28Å; P6-I8 PolarHBondContact O-N 2.97Å
7A32.3Very low46.3Very low95 Ų95149 Ų14979%0.78573%0.734SS**  trans-52.8114.5169.100000106.6R5 Q9R5-A7 PolarHBondContact O-N 2.96Å; A7-Q9 PolarHBondContact O-N 3.06Å
8I35.5Very low48.5Very low113 Ų113144.6 Ų144.658%0.57971%0.713SS**  trans-60.5102.9-177.4-64.7169.4000106.3P6 C10P6-I8 PolarHBondContact O-N 2.97Å; I8-C10 PolarHBondContact O-N 3.48Å
9Q30Very low50.7Low182 Ų182138.4 Ų138.485%0.8568%0.681SS**  trans-49.8128.4163.9-75.2172.1-27.700107.3A7A7-Q9 PolarHBondContact O-N 3.06Å
10C35.4Very low52.8Low109 Ų109137.7 Ų137.774%0.73668%0.676SS**  trans35.5112172.2-87.30000115.4I8 Q12I8-C10 PolarHBondContact O-N 3.48Å; C10-Q12 PolarHBondContact O-N 3.39Å
11R42Very low54.8Low209 Ų209132.3 Ų132.379%0.78965%0.65SS**  trans-53.688.5157.5-75.6-179.1173.8176.7-2.7108.4H13R11-H13 PolarHBondContact O-N 3.05Å
12Q48.9Very low57.8Low154 Ų154129 Ų12972%0.7263%0.632SS**  trans-59.1122.9165.2-70.1-177.5-800103.8C10 I14C10-Q12 PolarHBondContact O-N 3.39Å; Q12-I14 VanDerWaalsContact C-N 3.31Å; Q12-I14 PolarHBondContact O-N 2.98Å
13H63Low60.6Low186 Ų186127.8 Ų127.886%0.86161%0.606SS**  trans-59.1102175-92.5-86000107.3R11 K15R11-H13 PolarHBondContact O-N 3.05Å; H13-K15 PolarHBondContact O-N 2.83Å; H13-K15 VanDerWaalsContact O-N 3.1Å
14I71.4Confident63.6Low21 Ų21116.3 Ų116.311%0.10856%0.563CS.*  trans-61.1116.8174.7-73.9-178.6000106.8Q12 M18 K19 P282 D283 L286Q12-I14 VanDerWaalsContact C-N 3.31Å; Q12-I14 PolarHBondContact O-N 2.98Å; I14-M18 HydrophobicContact CG2-CB 3.7Å; I14-K19 HydrophobicContact CG2-CG 4.06Å; I14-P282 HydrophobicContact CB-CB 4.24Å; I14-P282 HydrophobicContact CD1-CB 4.03Å; I14-P282 HydrophobicContact CD1-CG 4.38Å; I14-P282 WeakPolarHBondContact CD1-O 3.44Å; I14-P282 HydrophobicContact CG2-CB 4.35Å; I14-D283 HydrophobicContact CD1-CB 4.19Å; I14-D283 VanDerWaalsContact CD1-N 3.34Å; I14-D283 WeakPolarHBondContact CD1-OD1 3.49Å; I14-L286 HydrophobicContact CD1-CD1 4.33Å
15K80.1Confident66.7Low127 Ų127107 Ų10755%0.55253%0.53SS*.  trans-66.1151.2178-60.3-175.6178.7-179.30109.8H13 E17 M18H13-K15 PolarHBondContact O-N 2.83Å; H13-K15 VanDerWaalsContact O-N 3.1Å; K15-E17 WeakPolarHBondContact CB-OE2 3.38Å; K15-E17 VanDerWaalsContact CD-OE2 3.29Å; K15-E17 WeakPolarHBondContact CD-OE2 3.44Å; K15-E17 PolarHBondContact O-N 3.36Å; K15-E17 VanDerWaalsContact O-N 3.15Å; K15-M18 HydrophobicContact CB-CG 4.39Å; K15-M18 HydrophobicContact CB-SD 4.22Å; K15-M18 HydrophobicContact CG-SD 4.43Å; K15-M18 WeakPolarHBondContact O-CB 3.28Å; K15-M18 PolarHBondContact O-N 3.09Å
16P78.3Confident69.7Low95 Ų95102.1 Ų102.162%0.61752%0.515SS*.G310 helixtrans-49.4-39.1176.6-28.335.9000113.7M18 K19P16-M18 PolarHBondContact O-N 3.38Å; P16-K19 WeakPolarHBondContact O-CB 3.35Å; P16-K19 PolarHBondContact O-N 3.37Å; P16-K19 VanDerWaalsContact O-N 3.12Å
17E81.2Confident72.9Confident120 Ų12097.2 Ų97.256%0.56148%0.482SS*.G310 helixtrans-61.7-24.9178.7-43.982.4-117.800113.7K15K15-E17 WeakPolarHBondContact CB-OE2 3.38Å; K15-E17 VanDerWaalsContact CD-OE2 3.29Å; K15-E17 WeakPolarHBondContact CD-OE2 3.44Å; K15-E17 PolarHBondContact O-N 3.36Å; K15-E17 VanDerWaalsContact O-N 3.15Å
18M85.4Confident76Confident70 Ų7092.7 Ų92.735%0.34545%0.445SS..G310 helixtrans-85.6-8.7-179-63.6171.565.600112.8I14 K15 P16 Q20 L286I14-M18 HydrophobicContact CG2-CB 3.7Å; K15-M18 HydrophobicContact CB-CG 4.39Å; K15-M18 HydrophobicContact CB-SD 4.22Å; K15-M18 HydrophobicContact CG-SD 4.43Å; K15-M18 WeakPolarHBondContact O-CB 3.28Å; K15-M18 PolarHBondContact O-N 3.09Å; P16-M18 PolarHBondContact O-N 3.38Å; M18-Q20 PolarHBondContact O-N 3.35Å; M18-L286 HydrophobicContact CB-CD2 4.47Å; M18-L286 HydrophobicContact CE-CD1 3.84Å
19K91.2Very high78.8Confident27 Ų2792.7 Ų92.712%0.11744%0.441CS..  trans-81.463.5177.9-60.1-172.3-174.3-175.10110.8I14 P16 K47 W285I14-K19 HydrophobicContact CG2-CG 4.06Å; P16-K19 WeakPolarHBondContact O-CB 3.35Å; P16-K19 PolarHBondContact O-N 3.37Å; P16-K19 VanDerWaalsContact O-N 3.12Å; K19-K47 HydrophobicContact CB-CD 4.44Å; K19-K47 HydrophobicContact CB-CG 4.01Å; K19-K47 HydrophobicContact CD-CB 4.21Å; K19-K47 HydrophobicContact CD-CG 4.44Å; K19-K47 PolarHBondContact NZ-O 2.66Å; K19-K47 WeakPolarHBondContact O-CE 3.33Å; K19-K47 PolarHBondContact O-NZ 2.78Å; K19-W285 HydrophobicContact CB-CD2 4.2Å; K19-W285 HydrophobicContact CB-CG 4.22Å
20Q93Very high81.9Confident123 Ų12387.3 Ų87.358%0.57542%0.417SS*.  trans-148.7146.5179.562.1-17611.200110.8M18M18-Q20 PolarHBondContact O-N 3.35Å
21N94.4Very high84.8Confident25 Ų2582.7 Ų82.713%0.13439%0.385CS..  trans-156.6105.4174.8-176.8-41.1000109L23 F24 E25 W285 W288N21-L23 PolarHBondContact O-N 2.88Å; N21-L23 WeakPolarHBondContact OD1-CB 3.29Å; N21-L23 PolarHBondContact OD1-N 2.92Å; N21-F24 HydrophobicContact CB-CB 3.77Å; N21-F24 WeakPolarHBondContact O-CB 3.34Å; N21-F24 PolarHBondContact O-N 2.82Å; N21-F24 PolarHBondContact OD1-N 2.81Å; N21-E25 PolarHBondContact O-N 3.14Å; N21-E25 VanDerWaalsContact O-N 3.07Å; N21-W285 HydrophobicContact CB-CE3 4.3Å; N21-W285 WeakPolarHBondContact CB-O 3.38Å; N21-W285 PolarHBondContact ND2-O 2.58Å; N21-W288 PolarHBondContact ND2-O 3.39Å
22E93.1Very high87.4Confident172 Ų17275.1 Ų75.180%0.80437%0.372SS*.Hα-helixtrans-60.5-34.5-176.6-64.8179.8177.900112.6E25 K26E22-E25 PolarHBondContact O-N 3.14Å; E22-K26 VanDerWaalsContact O-CB 3.24Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 3.42Å
23L93.5Very high89.6Confident54 Ų5468.4 Ų68.428%0.28334%0.341SS..Hα-helixtrans-70.2-39.6179.1-168.865.6000111.2N21 Y27 W288 P290 M389N21-L23 PolarHBondContact O-N 2.88Å; N21-L23 WeakPolarHBondContact OD1-CB 3.29Å; N21-L23 PolarHBondContact OD1-N 2.92Å; L23-Y27 WeakPolarHBondContact O-CB 3.5Å; L23-Y27 PolarHBondContact O-N 2.95Å; L23-W288 HydrophobicContact CB-CZ3 4.35Å; L23-W288 HydrophobicContact CD2-CZ3 4.49Å; L23-W288 HydrophobicContact CG-CZ3 4.11Å; L23-P290 HydrophobicContact CD2-CG 4.32Å; L23-M389 HydrophobicContact CD1-CE 4.49Å; L23-M389 HydrophobicContact CD1-SD 3.77Å; L23-M389 HydrophobicContact CG-SD 4.48Å
24F95.4Very high91.2Very high1 Ų159.9 Ų59.90%0.00430%0.302CS..Hα-helixtrans-57.5-51.3172.2174.6-83.8000110.3N21 Y27 Y28 F42 I43 L46 D275 L278 W285 W288N21-F24 HydrophobicContact CB-CB 3.77Å; N21-F24 WeakPolarHBondContact O-CB 3.34Å; N21-F24 PolarHBondContact O-N 2.82Å; N21-F24 PolarHBondContact OD1-N 2.81Å; F24-Y27 PolarHBondContact O-N 2.96Å; F24-Y28 HydrophobicContact CD1-CD2 4.04Å; F24-Y28 AromaticContact CD2-CD2 3.74Å; F24-Y28 HydrophobicContact CD2-CD2 3.74Å; F24-Y28 AromaticContact CD2-CE2 3.45Å; F24-Y28 HydrophobicContact CD2-CE2 3.45Å; F24-Y28 VanDerWaalsContact CD2-CE2 3.45Å; F24-Y28 AromaticContact CE1-CD2 3.85Å; F24-Y28 HydrophobicContact CE1-CD2 3.85Å; F24-Y28 HydrophobicContact CE1-CE2 4.37Å; F24-Y28 AromaticContact CE2-CD2 3.54Å; F24-Y28 HydrophobicContact CE2-CD2 3.54Å; F24-Y28 AromaticContact CE2-CE2 3.2Å; F24-Y28 HydrophobicContact CE2-CE2 3.2Å; F24-Y28 AromaticContact CG-CD2 3.97Å; F24-Y28 HydrophobicContact CG-CD2 3.97Å; F24-Y28 HydrophobicContact CG-CE2 4.14Å; F24-Y28 AromaticContact CZ-CD2 3.59Å; F24-Y28 HydrophobicContact CZ-CD2 3.59Å; F24-Y28 AromaticContact CZ-CE2 3.7Å; F24-Y28 HydrophobicContact CZ-CE2 3.7Å; F24-Y28 VanDerWaalsContact O-CD2 3.3Å; F24-Y28 WeakPolarHBondContact O-CD2 3.45Å; F24-Y28 PolarHBondContact O-N 3.24Å; F24-F42 HydrophobicContact CE1-CE1 4.31Å; F24-I43 HydrophobicContact CE1-CD1 4.2Å; F24-L46 HydrophobicContact CE1-CD1 3.95Å; F24-L46 HydrophobicContact CZ-CD1 3.88Å; F24-D275 HydrophobicContact CE2-CB 4.31Å; F24-L278 HydrophobicContact CD2-CD1 4.27Å; F24-L278 HydrophobicContact CE1-CD1 4.33Å; F24-L278 HydrophobicContact CE2-CD1 3.55Å; F24-L278 HydrophobicContact CZ-CD1 3.6Å; F24-W285 HydrophobicContact CD1-CZ3 4.37Å; F24-W288 VanDerWaalsContact CA-CE3 3.49Å; F24-W288 HydrophobicContact CB-CD2 3.97Å; F24-W288 HydrophobicContact CB-CE3 3.58Å; F24-W288 HydrophobicContact CB-CZ3 3.92Å; F24-W288 AromaticContact CD2-CD2 3.67Å; F24-W288 HydrophobicContact CD2-CD2 3.67Å; F24-W288 AromaticContact CD2-CE2 3.71Å; F24-W288 HydrophobicContact CD2-CE3 4.17Å; F24-W288 AromaticContact CD2-CG 3.88Å; F24-W288 HydrophobicContact CD2-CG 3.88Å; F24-W288 HydrophobicContact CD2-CZ2 4.25Å; F24-W288 AromaticContact CD2-NE1 3.88Å; F24-W288 HydrophobicContact CG-CD2 4.31Å; F24-W288 HydrophobicContact CG-CE3 4.37Å; F24-W288 VanDerWaalsContact N-CZ3 3.33Å
25E95.6Very high92.3Very high46 Ų4661.4 Ų61.422%0.21531%0.313CS..Hα-helixtrans-64-46.9-178.2-65.9-169.1-136.800111.5N21 E22 Y27 Y28 K29 W39 I43N21-E25 PolarHBondContact O-N 3.14Å; N21-E25 VanDerWaalsContact O-N 3.07Å; E22-E25 PolarHBondContact O-N 3.14Å; E25-Y27 VanDerWaalsContact C-N 3.32Å; E25-Y27 PolarHBondContact O-N 3.1Å; E25-Y28 PolarHBondContact O-N 3.44Å; E25-K29 WeakPolarHBondContact O-CB 3.41Å; E25-K29 VanDerWaalsContact O-CG 3.3Å; E25-K29 WeakPolarHBondContact O-CG 3.44Å; E25-K29 PolarHBondContact O-N 3.32Å; E25-W39 HydrophobicContact CB-CZ2 3.82Å; E25-W39 HydrophobicContact CG-CZ2 3.99Å; E25-I43 HydrophobicContact CG-CD1 4.01Å
26K94.5Very high93Very high108 Ų10864.4 Ų64.447%0.4733%0.329SS..Hα-helixtrans-57.7-45175.6-176.5179.7179.8-177.80111.5E22 N30E22-K26 VanDerWaalsContact O-CB 3.24Å; E22-K26 WeakPolarHBondContact O-CB 3.45Å; E22-K26 PolarHBondContact O-N 3.42Å; K26-N30 WeakPolarHBondContact O-CB 3.32Å; K26-N30 PolarHBondContact O-N 3.13Å; K26-N30 PolarHBondContact O-ND2 2.78Å
27Y96.8Very high93.9Very high4 Ų466.4 Ų66.42%0.01634%0.335CS..Hα-helixtrans-60.9-55.5-179.2-178.1-97.1000111.3L23 F24 E25 N30 Q31 W288 P290 N332 M389 W395L23-Y27 WeakPolarHBondContact O-CB 3.5Å; L23-Y27 PolarHBondContact O-N 2.95Å; F24-Y27 PolarHBondContact O-N 2.96Å; E25-Y27 VanDerWaalsContact C-N 3.32Å; E25-Y27 PolarHBondContact O-N 3.1Å; Y27-N30 PolarHBondContact O-N 3.25Å; Y27-Q31 HydrophobicContact CD1-CG 4.1Å; Y27-Q31 HydrophobicContact CE1-CG 3.85Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.27Å; Y27-Q31 WeakPolarHBondContact O-CG 3.31Å; Y27-Q31 PolarHBondContact O-N 3.08Å; Y27-Q31 PolarHBondContact OH-NE2 3.24Å; Y27-Q31 VanDerWaalsContact OH-NE2 3.15Å; Y27-W288 AromaticContact CD1-CH2 3.76Å; Y27-W288 HydrophobicContact CD1-CH2 3.76Å; Y27-W288 AromaticContact CD1-CZ2 3.88Å; Y27-W288 HydrophobicContact CD1-CZ2 3.88Å; Y27-W288 HydrophobicContact CD2-CH2 4.3Å; Y27-W288 HydrophobicContact CE1-CZ2 4.35Å; Y27-W288 AromaticContact CG-CH2 3.63Å; Y27-W288 HydrophobicContact CG-CH2 3.63Å; Y27-W288 HydrophobicContact CG-CZ2 4.23Å; Y27-P290 HydrophobicContact CD2-CB 4.35Å; Y27-P290 HydrophobicContact CD2-CG 4.03Å; Y27-P290 HydrophobicContact CE2-CB 4.2Å; Y27-P290 HydrophobicContact CE2-CG 4.38Å; Y27-N332 PolarHBondContact OH-OD1 3.21Å; Y27-M389 HydrophobicContact CD2-CB 3.73Å; Y27-M389 HydrophobicContact CD2-CE 3.99Å; Y27-M389 HydrophobicContact CD2-SD 4.08Å; Y27-M389 HydrophobicContact CE2-CB 3.76Å; Y27-W395 AromaticContact CD2-CH2 3.75Å; Y27-W395 HydrophobicContact CD2-CH2 3.75Å; Y27-W395 HydrophobicContact CD2-CZ2 4.5Å; Y27-W395 HydrophobicContact CD2-CZ3 4.22Å; Y27-W395 HydrophobicContact CE2-CH2 4.15Å; Y27-W395 HydrophobicContact CE2-CZ3 4.18Å; Y27-W395 HydrophobicContact CG-CH2 4.38Å
28Y97.2Very high94.6Very high0 Ų062.7 Ų62.70%032%0.318CS..Hα-helixtrans-73.9-30.8-173.6-74.1-64.6000114.3F24 E25 N30 Q31 G32 I33 D275 W288 F331F24-Y28 HydrophobicContact CD1-CD2 4.04Å; F24-Y28 AromaticContact CD2-CD2 3.74Å; F24-Y28 HydrophobicContact CD2-CD2 3.74Å; F24-Y28 AromaticContact CD2-CE2 3.45Å; F24-Y28 HydrophobicContact CD2-CE2 3.45Å; F24-Y28 VanDerWaalsContact CD2-CE2 3.45Å; F24-Y28 AromaticContact CE1-CD2 3.85Å; F24-Y28 HydrophobicContact CE1-CD2 3.85Å; F24-Y28 HydrophobicContact CE1-CE2 4.37Å; F24-Y28 AromaticContact CE2-CD2 3.54Å; F24-Y28 HydrophobicContact CE2-CD2 3.54Å; F24-Y28 AromaticContact CE2-CE2 3.2Å; F24-Y28 HydrophobicContact CE2-CE2 3.2Å; F24-Y28 AromaticContact CG-CD2 3.97Å; F24-Y28 HydrophobicContact CG-CD2 3.97Å; F24-Y28 HydrophobicContact CG-CE2 4.14Å; F24-Y28 AromaticContact CZ-CD2 3.59Å; F24-Y28 HydrophobicContact CZ-CD2 3.59Å; F24-Y28 AromaticContact CZ-CE2 3.7Å; F24-Y28 HydrophobicContact CZ-CE2 3.7Å; F24-Y28 VanDerWaalsContact O-CD2 3.3Å; F24-Y28 WeakPolarHBondContact O-CD2 3.45Å; F24-Y28 PolarHBondContact O-N 3.24Å; E25-Y28 PolarHBondContact O-N 3.44Å; Y28-N30 VanDerWaalsContact C-N 3.3Å; Y28-N30 PolarHBondContact O-N 3.08Å; Y28-Q31 PolarHBondContact O-N 2.85Å; Y28-G32 PolarHBondContact O-N 3.24Å; Y28-I33 HydrophobicContact CD1-CD1 3.35Å; Y28-I33 HydrophobicContact CD1-CG1 3.86Å; Y28-I33 HydrophobicContact CE1-CD1 4.06Å; Y28-I33 HydrophobicContact CG-CD1 3.86Å; Y28-I33 HydrophobicContact CG-CG1 4.36Å; Y28-D275 PolarHBondContact OH-OD2 3.17Å; Y28-W288 HydrophobicContact CD2-CZ2 4.48Å; Y28-W288 HydrophobicContact CE2-CH2 4.34Å; Y28-W288 AromaticContact CE2-CZ2 3.6Å; Y28-W288 HydrophobicContact CE2-CZ2 3.6Å; Y28-F331 HydrophobicContact CD1-CB 4.24Å; Y28-F331 HydrophobicContact CE1-CB 3.54Å
29K95.3Very high95.2Very high114 Ų11460.3 Ų60.350%0.49631%0.305SS..Hα-helixtrans-57.2-46168-76.3-175.6-177.9-175.20111.2E25 G32 W39E25-K29 WeakPolarHBondContact O-CB 3.41Å; E25-K29 VanDerWaalsContact O-CG 3.3Å; E25-K29 WeakPolarHBondContact O-CG 3.44Å; E25-K29 PolarHBondContact O-N 3.32Å; K29-G32 PolarHBondContact O-N 3.17Å; K29-W39 HydrophobicContact CB-CH2 4.49Å; K29-W39 HydrophobicContact CB-CZ3 4.45Å; K29-W39 HydrophobicContact CD-CD2 4.29Å; K29-W39 HydrophobicContact CD-CZ2 4.27Å; K29-W39 HydrophobicContact CG-CD2 3.67Å; K29-W39 HydrophobicContact CG-CE3 3.7Å; K29-W39 HydrophobicContact CG-CG 4.45Å; K29-W39 HydrophobicContact CG-CH2 3.66Å; K29-W39 HydrophobicContact CG-CZ2 3.62Å; K29-W39 HydrophobicContact CG-CZ3 3.7Å
30N95Very high95.5Very high68 Ų6862.4 Ų62.436%0.36433%0.327SS..Hα-helixtrans-75.7-22.3-178.2-80-90000114K26 Y27 Y28 G32 W395K26-N30 WeakPolarHBondContact O-CB 3.32Å; K26-N30 PolarHBondContact O-N 3.13Å; K26-N30 PolarHBondContact O-ND2 2.78Å; Y27-N30 PolarHBondContact O-N 3.25Å; Y28-N30 VanDerWaalsContact C-N 3.3Å; Y28-N30 PolarHBondContact O-N 3.08Å; N30-G32 VanDerWaalsContact C-N 3.29Å; N30-W395 HydrophobicContact CB-CH2 3.74Å; N30-W395 HydrophobicContact CB-CZ2 3.34Å
31Q96.4Very high95.7Very high13 Ų1360.9 Ų60.96%0.06132%0.323CS..Hα-helixtrans-76.1-17.4169.9-67.3-67.91300112.8Y27 Y28 I33 P333 R387 W395Y27-Q31 HydrophobicContact CD1-CG 4.1Å; Y27-Q31 HydrophobicContact CE1-CG 3.85Å; Y27-Q31 VanDerWaalsContact CZ-NE2 3.27Å; Y27-Q31 WeakPolarHBondContact O-CG 3.31Å; Y27-Q31 PolarHBondContact O-N 3.08Å; Y27-Q31 PolarHBondContact OH-NE2 3.24Å; Y27-Q31 VanDerWaalsContact OH-NE2 3.15Å; Y28-Q31 PolarHBondContact O-N 2.85Å; Q31-I33 VanDerWaalsContact C-N 3.31Å; Q31-I33 HydrophobicContact CB-CG2 4.2Å; Q31-I33 PolarHBondContact O-N 3.48Å; Q31-P333 HydrophobicContact CG-CG 4.24Å; Q31-R387 PolarHBondContact NE2-O 3.31Å; Q31-W395 HydrophobicContact CG-CH2 4.42Å
32G95Very high95.8Very high50 Ų5059.7 Ų59.752%0.51532%0.316SS..THydrogen-bonded Turntrans66.729.1177.800000114Y28 K29 N30 V34Y28-G32 PolarHBondContact O-N 3.24Å; K29-G32 PolarHBondContact O-N 3.17Å; N30-G32 VanDerWaalsContact C-N 3.29Å; G32-V34 PolarHBondContact O-N 2.92Å
33I95.8Very high96Very high12 Ų1252.1 Ų52.16%0.06228%0.281CS..SBendtrans-72.5-19.8178.158.9153.9000113.1Y28 Q31 F42 F331 L383Y28-I33 HydrophobicContact CD1-CD1 3.35Å; Y28-I33 HydrophobicContact CD1-CG1 3.86Å; Y28-I33 HydrophobicContact CE1-CD1 4.06Å; Y28-I33 HydrophobicContact CG-CD1 3.86Å; Y28-I33 HydrophobicContact CG-CG1 4.36Å; Q31-I33 VanDerWaalsContact C-N 3.31Å; Q31-I33 HydrophobicContact CB-CG2 4.2Å; Q31-I33 PolarHBondContact O-N 3.48Å; I33-F42 HydrophobicContact CD1-CZ 4.28Å; I33-F331 HydrophobicContact CD1-CB 3.89Å; I33-F331 HydrophobicContact CD1-CG 4.24Å; I33-L383 HydrophobicContact CG2-CD1 3.86Å
34V96.1Very high96.1Very high7 Ų751.5 Ų51.54%0.04228%0.282CS..SBendtrans-133.3132.4179.9-174.20000107.3G32 E38 W39 F42 L432G32-V34 PolarHBondContact O-N 2.92Å; V34-E38 HydrophobicContact CG1-CB 3.79Å; V34-W39 HydrophobicContact CB-CE3 4.14Å; V34-W39 HydrophobicContact CB-CZ3 4.47Å; V34-F42 HydrophobicContact CG1-CB 4.04Å; V34-F42 HydrophobicContact CG1-CG 4.43Å; V34-F42 HydrophobicContact CG2-CB 4.31Å; V34-F42 HydrophobicContact CG2-CD1 3.97Å; V34-F42 HydrophobicContact CG2-CD2 3.94Å; V34-F42 HydrophobicContact CG2-CE1 4.21Å; V34-F42 HydrophobicContact CG2-CE2 4.18Å; V34-F42 HydrophobicContact CG2-CG 3.81Å; V34-F42 HydrophobicContact CG2-CZ 4.3Å; V34-L432 HydrophobicContact CG2-CD1 3.86Å; V34-L432 HydrophobicContact CG2-CD2 4.41Å
35P94.8Very high96.1Very high54 Ų5454.2 Ų54.235%0.35129%0.292SS..  trans-55150.5170.5-25.836000112.4D37 E38 W39P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 WeakPolarHBondContact CB-OD1 3.47Å; P35-D37 PolarHBondContact O-N 3.3Å; P35-E38 HydrophobicContact CB-CG 4.29Å; P35-E38 HydrophobicContact CG-CG 4.39Å; P35-E38 PolarHBondContact O-N 2.88Å; P35-W39 PolarHBondContact O-N 2.77Å
36E94.7Very high96.1Very high190 Ų19052 Ų5289%0.88828%0.282SS*.THydrogen-bonded Turntrans-63.2-34.9-175.4-68-168.616300113.1W39E36-W39 WeakPolarHBondContact O-CB 3.44Å; E36-W39 PolarHBondContact O-N 3.4Å
37D96.9Very high96.1Very high137 Ų13750.5 Ų50.573%0.73328%0.275SS*.THydrogen-bonded Turntrans-69.7-30.3178.259.1-55.2000113P35P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 WeakPolarHBondContact CB-OD1 3.47Å; P35-D37 PolarHBondContact O-N 3.3Å
38E97.1Very high95.8Very high42 Ų4255.3 Ų55.320%0.19629%0.294CS..THydrogen-bonded Turntrans-87.2-8.1177.4-61.9-176.1-160.400113.3V34 P35 A40 D41 F42 R380 H434V34-E38 HydrophobicContact CG1-CB 3.79Å; P35-E38 HydrophobicContact CB-CG 4.29Å; P35-E38 HydrophobicContact CG-CG 4.39Å; P35-E38 PolarHBondContact O-N 2.88Å; E38-A40 VanDerWaalsContact C-N 3.31Å; E38-A40 PolarHBondContact O-N 3.26Å; E38-D41 PolarHBondContact O-N 2.87Å; E38-D41 VanDerWaalsContact O-N 3.15Å; E38-F42 PolarHBondContact O-N 3.48Å; E38-R380 VanDerWaalsContact CD-NH2 3.29Å; E38-R380 IonicContact OE1-CZ 2.63Å; E38-R380 IonicContact OE1-NH1 3.87Å; E38-R380 PolarHBondContact OE1-NH1 2.97Å; E38-R380 VanDerWaalsContact OE1-NH1 3.11Å; E38-R380 IonicContact OE1-NH2 2.81Å; E38-R380 PolarHBondContact OE1-NH2 2.76Å; E38-R380 IonicContact OE2-CZ 2.78Å; E38-R380 IonicContact OE2-NH1 3.56Å; E38-R380 IonicContact OE2-NH2 2.62Å; E38-R380 PolarHBondContact OE2-NH2 2.94Å; E38-H434 IonicContact OE2-CD2 3.7Å; E38-H434 IonicContact OE2-CE1 3.94Å; E38-H434 IonicContact OE2-NE2 3.4Å; E38-H434 PolarHBondContact OE2-NE2 3.46Å
39W97.4Very high95.3Very high19 Ų1958.7 Ų58.77%0.07231%0.312CS..Hα-helixtrans-58.7-40.8-170.7-177.8-92.8000113.4E25 K29 V34 P35 E36 D41 F42 I43E25-W39 HydrophobicContact CB-CZ2 3.82Å; E25-W39 HydrophobicContact CG-CZ2 3.99Å; K29-W39 HydrophobicContact CB-CH2 4.49Å; K29-W39 HydrophobicContact CB-CZ3 4.45Å; K29-W39 HydrophobicContact CD-CD2 4.29Å; K29-W39 HydrophobicContact CD-CZ2 4.27Å; K29-W39 HydrophobicContact CG-CD2 3.67Å; K29-W39 HydrophobicContact CG-CE3 3.7Å; K29-W39 HydrophobicContact CG-CG 4.45Å; K29-W39 HydrophobicContact CG-CH2 3.66Å; K29-W39 HydrophobicContact CG-CZ2 3.62Å; K29-W39 HydrophobicContact CG-CZ3 3.7Å; V34-W39 HydrophobicContact CB-CE3 4.14Å; V34-W39 HydrophobicContact CB-CZ3 4.47Å; P35-W39 PolarHBondContact O-N 2.77Å; E36-W39 WeakPolarHBondContact O-CB 3.44Å; E36-W39 PolarHBondContact O-N 3.4Å; W39-D41 VanDerWaalsContact C-N 3.32Å; W39-D41 PolarHBondContact O-N 3Å; W39-F42 HydrophobicContact CE3-CD1 4.29Å; W39-F42 HydrophobicContact CH2-CD1 4.31Å; W39-F42 HydrophobicContact CH2-CE1 4.24Å; W39-F42 HydrophobicContact CZ3-CD1 4.09Å; W39-F42 HydrophobicContact CZ3-CE1 4.21Å; W39-F42 PolarHBondContact O-N 3.44Å; W39-I43 HydrophobicContact CD2-CG1 4.42Å; W39-I43 HydrophobicContact CH2-CD1 4.44Å; W39-I43 HydrophobicContact CZ2-CD1 3.73Å; W39-I43 HydrophobicContact CZ2-CG1 3.92Å; W39-I43 WeakPolarHBondContact O-CG1 3.37Å; W39-I43 PolarHBondContact O-N 3.15Å; W39-I43 VanDerWaalsContact O-N 3.07Å
40A96.9Very high95.1Very high71 Ų7155 Ų5559%0.58730%0.297SS*.Hα-helixtrans-61.9-41.5-179.900000111.5E38 S44E38-A40 VanDerWaalsContact C-N 3.31Å; E38-A40 PolarHBondContact O-N 3.26Å; A40-S44 VanDerWaalsContact O-CB 3.26Å; A40-S44 WeakPolarHBondContact O-CB 3.21Å; A40-S44 PolarHBondContact O-N 2.82Å
41D97.2Very high95Very high91 Ų9152.6 Ų52.649%0.48729%0.285SS..Hα-helixtrans-69.6-43178-73.2-26.2000111.6E38 W39 I43 S44 Y45 H434E38-D41 PolarHBondContact O-N 2.87Å; E38-D41 VanDerWaalsContact O-N 3.15Å; W39-D41 VanDerWaalsContact C-N 3.32Å; W39-D41 PolarHBondContact O-N 3Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.27Å; D41-S44 WeakPolarHBondContact O-CB 3.37Å; D41-S44 PolarHBondContact O-N 3.06Å; D41-Y45 WeakPolarHBondContact O-CD2 3.24Å; D41-Y45 PolarHBondContact O-N 3.07Å; D41-H434 HydrophobicContact CB-CB 4.25Å
42F97.7Very high94.7Very high0 Ų054.3 Ų54.30%029%0.294CS..Hα-helixtrans-53.5-50.8174.5173.5-112.6000111.9F24 I33 V34 E38 W39 Y45 L46 F331 L432 P433 H434F24-F42 HydrophobicContact CE1-CE1 4.31Å; I33-F42 HydrophobicContact CD1-CZ 4.28Å; V34-F42 HydrophobicContact CG1-CB 4.04Å; V34-F42 HydrophobicContact CG1-CG 4.43Å; V34-F42 HydrophobicContact CG2-CB 4.31Å; V34-F42 HydrophobicContact CG2-CD1 3.97Å; V34-F42 HydrophobicContact CG2-CD2 3.94Å; V34-F42 HydrophobicContact CG2-CE1 4.21Å; V34-F42 HydrophobicContact CG2-CE2 4.18Å; V34-F42 HydrophobicContact CG2-CG 3.81Å; V34-F42 HydrophobicContact CG2-CZ 4.3Å; E38-F42 PolarHBondContact O-N 3.48Å; W39-F42 HydrophobicContact CE3-CD1 4.29Å; W39-F42 HydrophobicContact CH2-CD1 4.31Å; W39-F42 HydrophobicContact CH2-CE1 4.24Å; W39-F42 HydrophobicContact CZ3-CD1 4.09Å; W39-F42 HydrophobicContact CZ3-CE1 4.21Å; W39-F42 PolarHBondContact O-N 3.44Å; F42-Y45 PolarHBondContact O-N 3.26Å; F42-L46 HydrophobicContact CD1-CD1 4.06Å; F42-L46 HydrophobicContact CD2-CD1 4.39Å; F42-L46 HydrophobicContact CE1-CD1 3.55Å; F42-L46 HydrophobicContact CE2-CD1 3.92Å; F42-L46 HydrophobicContact CE2-CG 4.27Å; F42-L46 HydrophobicContact CG-CD1 4.46Å; F42-L46 HydrophobicContact CZ-CD1 3.49Å; F42-L46 VanDerWaalsContact CZ-CD1 3.49Å; F42-L46 HydrophobicContact CZ-CG 4.32Å; F42-L46 WeakPolarHBondContact O-CG 3.4Å; F42-L46 PolarHBondContact O-N 2.94Å; F42-F331 HydrophobicContact CE2-CE1 4.12Å; F42-F331 HydrophobicContact CE2-CE2 4.14Å; F42-F331 AromaticContact CE2-CZ 3.79Å; F42-F331 HydrophobicContact CE2-CZ 3.79Å; F42-F331 HydrophobicContact CZ-CD2 4.23Å; F42-F331 HydrophobicContact CZ-CE1 4.47Å; F42-F331 AromaticContact CZ-CE2 3.88Å; F42-F331 HydrophobicContact CZ-CE2 3.88Å; F42-F331 HydrophobicContact CZ-CZ 4.01Å; F42-L432 HydrophobicContact CE2-CD2 4.16Å; F42-P433 HydrophobicContact CE2-CG 4.45Å; F42-H434 AromaticContact CD2-CE1 3.88Å; F42-H434 AromaticContact CD2-ND1 3.56Å
43I96.9Very high94.7Very high14 Ų1452.5 Ų52.57%0.07227%0.273CS..Hα-helixtrans-65.8-41.4178.1-67.2-61.1000111.5F24 E25 W39 D41 Y45 L46 K47F24-I43 HydrophobicContact CE1-CD1 4.2Å; E25-I43 HydrophobicContact CG-CD1 4.01Å; W39-I43 HydrophobicContact CD2-CG1 4.42Å; W39-I43 HydrophobicContact CH2-CD1 4.44Å; W39-I43 HydrophobicContact CZ2-CD1 3.73Å; W39-I43 HydrophobicContact CZ2-CG1 3.92Å; W39-I43 WeakPolarHBondContact O-CG1 3.37Å; W39-I43 PolarHBondContact O-N 3.15Å; W39-I43 VanDerWaalsContact O-N 3.07Å; D41-I43 VanDerWaalsContact C-N 3.34Å; D41-I43 PolarHBondContact O-N 3.27Å; I43-Y45 PolarHBondContact O-N 2.97Å; I43-L46 HydrophobicContact CD1-CD1 4.35Å; I43-L46 PolarHBondContact O-N 3.2Å; I43-K47 HydrophobicContact CG2-CD 4.42Å; I43-K47 WeakPolarHBondContact O-CG 3.12Å; I43-K47 PolarHBondContact O-N 3.15Å
44S95.4Very high94.7Very high41 Ų4152 Ų5229%0.28727%0.27SS..Hα-helixtrans-56.8-48176.3-178.20000111.5A40 D41 K47 R48A40-S44 VanDerWaalsContact O-CB 3.26Å; A40-S44 WeakPolarHBondContact O-CB 3.21Å; A40-S44 PolarHBondContact O-N 2.82Å; D41-S44 WeakPolarHBondContact O-CB 3.37Å; D41-S44 PolarHBondContact O-N 3.06Å; S44-K47 PolarHBondContact O-N 2.77Å; S44-R48 WeakPolarHBondContact O-CG 3.3Å; S44-R48 PolarHBondContact O-N 3.11Å; S44-R48 PolarHBondContact OG-NH2 3.45Å
45Y95.3Very high94.6Very high57 Ų5751.9 Ų51.922%0.22427%0.269CS..Hα-helixtrans-68-36.8178.9-88.5-104000113.3D41 F42 I43 K47 R48 R279 H434 N437D41-Y45 WeakPolarHBondContact O-CD2 3.24Å; D41-Y45 PolarHBondContact O-N 3.07Å; F42-Y45 PolarHBondContact O-N 3.26Å; I43-Y45 PolarHBondContact O-N 2.97Å; Y45-K47 PolarHBondContact O-N 2.88Å; Y45-R48 PolarHBondContact O-N 3.12Å; Y45-R48 VanDerWaalsContact O-N 3.09Å; Y45-R279 WeakPolarHBondContact O-CD 3.32Å; Y45-R279 PolarHBondContact O-NE 3.46Å; Y45-H434 HydrophobicContact CD1-CB 4.49Å; Y45-H434 HydrophobicContact CD2-CB 3.65Å; Y45-H434 HydrophobicContact CE2-CB 4.17Å; Y45-H434 HydrophobicContact CG-CB 3.83Å; Y45-N437 HydrophobicContact CE1-CB 4.04Å
46L95.7Very high94.5Very high0 Ų049.3 Ų49.30%025%0.253CS..Hα-helixtrans-61.4-26.9174.5-76.6175.1000112.9F24 F42 I43 L278 R279 W285 F331 P433F24-L46 HydrophobicContact CE1-CD1 3.95Å; F24-L46 HydrophobicContact CZ-CD1 3.88Å; F42-L46 HydrophobicContact CD1-CD1 4.06Å; F42-L46 HydrophobicContact CD2-CD1 4.39Å; F42-L46 HydrophobicContact CE1-CD1 3.55Å; F42-L46 HydrophobicContact CE2-CD1 3.92Å; F42-L46 HydrophobicContact CE2-CG 4.27Å; F42-L46 HydrophobicContact CG-CD1 4.46Å; F42-L46 HydrophobicContact CZ-CD1 3.49Å; F42-L46 VanDerWaalsContact CZ-CD1 3.49Å; F42-L46 HydrophobicContact CZ-CG 4.32Å; F42-L46 WeakPolarHBondContact O-CG 3.4Å; F42-L46 PolarHBondContact O-N 2.94Å; I43-L46 HydrophobicContact CD1-CD1 4.35Å; I43-L46 PolarHBondContact O-N 3.2Å; L46-L278 HydrophobicContact CD1-CD1 4.23Å; L46-L278 HydrophobicContact CD2-CB 4.23Å; L46-L278 HydrophobicContact CD2-CD1 4.26Å; L46-R279 WeakPolarHBondContact O-CG 3.36Å; L46-W285 HydrophobicContact CB-CH2 4.12Å; L46-W285 HydrophobicContact CB-CZ2 3.75Å; L46-W285 HydrophobicContact CD1-CH2 4.45Å; L46-F331 HydrophobicContact CD2-CE2 3.98Å; L46-F331 HydrophobicContact CD2-CZ 4.1Å; L46-P433 HydrophobicContact CD2-CG 3.74Å; L46-P433 HydrophobicContact CG-CG 4.29Å
47K94.2Very high94.2Very high77 Ų7740.3 Ų40.334%0.33521%0.211SC..Hα-helixtrans-82.2-17.2176.5-65.7-179.7-169.8-166.50113.3K19 I43 S44 Y45 W285K19-K47 HydrophobicContact CB-CD 4.44Å; K19-K47 HydrophobicContact CB-CG 4.01Å; K19-K47 HydrophobicContact CD-CB 4.21Å; K19-K47 HydrophobicContact CD-CG 4.44Å; K19-K47 PolarHBondContact NZ-O 2.66Å; K19-K47 WeakPolarHBondContact O-CE 3.33Å; K19-K47 PolarHBondContact O-NZ 2.78Å; I43-K47 HydrophobicContact CG2-CD 4.42Å; I43-K47 WeakPolarHBondContact O-CG 3.12Å; I43-K47 PolarHBondContact O-N 3.15Å; S44-K47 PolarHBondContact O-N 2.77Å; Y45-K47 PolarHBondContact O-N 2.88Å; K47-W285 HydrophobicContact CG-CH2 4.43Å; K47-W285 HydrophobicContact CG-CZ2 4.01Å
48R90.4Very high93Very high105 Ų10534.7 Ų34.740%0.39619%0.185SC..SBendtrans-82.8151.4-180-66.3174.1-170.9-171.9-1.9112.3S44 Y45 R279S44-R48 WeakPolarHBondContact O-CG 3.3Å; S44-R48 PolarHBondContact O-N 3.11Å; S44-R48 PolarHBondContact OG-NH2 3.45Å; Y45-R48 PolarHBondContact O-N 3.12Å; Y45-R48 VanDerWaalsContact O-N 3.09Å; R48-R279 WeakPolarHBondContact O-CB 3.29Å; R48-R279 WeakPolarHBondContact O-CG 3.28Å; R48-R279 PolarHBondContact O-NE 3.41Å; R48-R279 VanDerWaalsContact O-NE 3.12Å
49D88Confident91.6Very high71 Ų7132.9 Ų32.938%0.3818%0.176SC..PPolyproline II helixtrans-65.5147.3171.2-82.9-3000111K114 R279D49-K114 VanDerWaalsContact CG-NZ 3.33Å; D49-K114 IonicContact OD1-NZ 2.74Å; D49-K114 WeakPolarHBondContact OD2-CD 3.32Å; D49-K114 WeakPolarHBondContact OD2-CE 3.4Å; D49-K114 IonicContact OD2-NZ 3.44Å; D49-K114 PolarHBondContact OD2-NZ 2.56Å; D49-R279 PolarHBondContact O-NH2 2.96Å
50L91.1Very high90.5Very high37 Ų3732.6 Ų32.619%0.19418%0.175CC..PPolyproline II helixtrans-68.2146.5172.4-76.8168.7000111.2E143 R279 K280L50-E143 HydrophobicContact CD1-CG 4.08Å; L50-R279 HydrophobicContact CD1-CB 4.34Å; L50-R279 HydrophobicContact CD2-CB 4.2Å; L50-R279 HydrophobicContact CG-CB 3.75Å; L50-K280 HydrophobicContact CD1-CB 3.96Å; L50-K280 HydrophobicContact CD1-CD 4.28Å; L50-K280 HydrophobicContact CD1-CG 4.44Å
51P91.5Very high89.4Confident17 Ų1732.5 Ų32.511%0.1117%0.165CC..PPolyproline II helixtrans-64.8157.5168.831.4-35.9000110.7T53 Q109P51-T53 HydrophobicContact CG-CG2 4.37Å; P51-T53 PolarHBondContact O-N 3.05Å; P51-Q109 HydrophobicContact CB-CG 3.65Å; P51-Q109 HydrophobicContact CG-CG 4Å
52I91.4Very high88.9Confident49 Ų4929.1 Ų29.125%0.25115%0.146SC..EExtended strand (participates in β ladder)trans-81.6114.4174.5-61.9172.8000107.6L110 V117 L130I52-L110 HydrophobicContact CB-CB 4.26Å; I52-L110 HydrophobicContact CD1-CD2 4.33Å; I52-L110 PolarHBondContact N-O 3.17Å; I52-L110 PolarHBondContact O-N 3.11Å; I52-V117 HydrophobicContact CD1-CG2 4.33Å; I52-L130 HydrophobicContact CG2-CD1 4.47Å
53T94.5Very high88.4Confident12 Ų1230 Ų307%0.07415%0.151CC..EExtended strand (participates in β ladder)trans-116142.4178.650.20000111.1P51 W108 Q109 Q142 E143 A144P51-T53 HydrophobicContact CG-CG2 4.37Å; P51-T53 PolarHBondContact O-N 3.05Å; T53-W108 WeakPolarHBondContact CA-O 3.29Å; T53-Q109 HydrophobicContact CG2-CB 4.01Å; T53-Q109 HydrophobicContact CG2-CG 3.78Å; T53-Q142 CarbonylContact C-O 3.6Å; T53-Q142 WeakPolarHBondContact CB-O 3.5Å; T53-Q142 PolarHBondContact O-N 2.86Å; T53-Q142 PolarHBondContact OG1-O 2.9Å; T53-E143 WeakPolarHBondContact OG1-CA 3.31Å; T53-A144 HydrophobicContact CG2-CB 4.28Å; T53-A144 PolarHBondContact OG1-N 3.43Å
54F95.1Very high87.8Confident0 Ų037 Ų370%018%0.181CC..EExtended strand (participates in β ladder)trans-149.2165.4176.267.7-92.3000111I70 F96 A107 W108 L130 I139 S140 R141F54-I70 HydrophobicContact CE2-CD1 4.04Å; F54-F96 AromaticContact CE1-CE2 3.77Å; F54-F96 HydrophobicContact CE1-CE2 3.77Å; F54-F96 HydrophobicContact CE1-CZ 4.3Å; F54-F96 AromaticContact CZ-CE2 3.9Å; F54-F96 HydrophobicContact CZ-CE2 3.9Å; F54-F96 AromaticContact CZ-CZ 3.99Å; F54-F96 HydrophobicContact CZ-CZ 3.99Å; F54-A107 CarbonylContact O-C 3.36Å; F54-A107 WeakPolarHBondContact O-CA 3.46Å; F54-W108 HydrophobicContact CD1-CB 4.41Å; F54-W108 HydrophobicContact CD2-CB 4.45Å; F54-W108 HydrophobicContact CE1-CB 3.82Å; F54-W108 HydrophobicContact CE2-CB 3.84Å; F54-W108 HydrophobicContact CE2-CG 4.23Å; F54-W108 HydrophobicContact CZ-CB 3.5Å; F54-W108 HydrophobicContact CZ-CG 4.08Å; F54-W108 PolarHBondContact N-O 2.8Å; F54-W108 PolarHBondContact O-N 2.61Å; F54-L130 HydrophobicContact CD1-CD1 3.98Å; F54-L130 HydrophobicContact CD1-CD2 3.6Å; F54-L130 HydrophobicContact CD1-CG 4.46Å; F54-L130 HydrophobicContact CD2-CD2 3.96Å; F54-L130 HydrophobicContact CE1-CD1 3.99Å; F54-L130 HydrophobicContact CE1-CD2 3.49Å; F54-L130 VanDerWaalsContact CE1-CD2 3.49Å; F54-L130 HydrophobicContact CE1-CG 4.38Å; F54-L130 HydrophobicContact CE2-CD2 3.88Å; F54-L130 HydrophobicContact CG-CD2 3.83Å; F54-L130 HydrophobicContact CZ-CD2 3.64Å; F54-I139 HydrophobicContact CB-CG2 3.7Å; F54-I139 HydrophobicContact CD2-CD1 4.11Å; F54-I139 HydrophobicContact CD2-CG2 3.68Å; F54-I139 HydrophobicContact CE2-CD1 4.14Å; F54-I139 HydrophobicContact CG-CG2 3.99Å; F54-S140 CarbonylContact C-O 3.59Å; F54-S140 WeakPolarHBondContact CA-O 3.07Å; F54-R141 HydrophobicContact CB-CG 4.11Å
55R94.3Very high87.4Confident6 Ų635.7 Ų35.72%0.02317%0.17CC..EExtended strand (participates in β ladder)trans-132.6139.2178173.6172.97676.50.5111Y102 M106 A107 I139 S140 E177R55-Y102 WeakPolarHBondContact CD-OH 3.25Å; R55-Y102 HydrophobicContact CG-CE1 4.29Å; R55-Y102 PolarHBondContact NE-OH 2.78Å; R55-M106 CarbonylContact C-O 3.53Å; R55-M106 VanDerWaalsContact CA-O 3.25Å; R55-M106 WeakPolarHBondContact CA-O 3.28Å; R55-M106 WeakPolarHBondContact CG-O 3.1Å; R55-A107 HydrophobicContact CB-CB 4.34Å; R55-I139 CarbonylContact O-C 3.58Å; R55-I139 VanDerWaalsContact O-CA 3.27Å; R55-I139 WeakPolarHBondContact O-CA 3.4Å; R55-S140 PolarHBondContact N-O 3.15Å; R55-S140 PolarHBondContact O-N 3.35Å; R55-E177 IonicContact CZ-OE1 2.76Å; R55-E177 IonicContact CZ-OE2 3.12Å; R55-E177 IonicContact NH1-OE1 2.72Å; R55-E177 IonicContact NH1-OE2 2.95Å; R55-E177 PolarHBondContact NH1-OE2 3.44Å; R55-E177 IonicContact NH2-OE1 3.72Å; R55-E177 PolarHBondContact NH2-OE1 3.03Å; R55-E177 IonicContact NH2-OE2 2.67Å; R55-E177 PolarHBondContact NH2-OE2 3.02Å
56V93.8Very high87.1Confident0 Ų033 Ų330%016%0.16CC..EExtended strand (participates in β ladder)trans-75.8136.2168.5-173.10000109.7N63 L66 L67 I70 M106V56-N63 HydrophobicContact CG1-CB 3.98Å; V56-L66 HydrophobicContact CG1-CD2 4.15Å; V56-L66 HydrophobicContact CG1-CG 4.49Å; V56-L67 HydrophobicContact CG2-CD1 4.41Å; V56-I70 HydrophobicContact CG2-CD1 3.59Å; V56-M106 HydrophobicContact CB-CE 3.72Å; V56-M106 HydrophobicContact CB-SD 4.1Å; V56-M106 HydrophobicContact CG1-CE 3.77Å; V56-M106 HydrophobicContact CG1-SD 4.44Å; V56-M106 PolarHBondContact N-O 3.33Å; V56-M106 WeakPolarHBondContact O-CE 3.37Å
57T87.6Confident86.9Confident1 Ų133.9 Ų33.91%0.00616%0.164CC..  trans-65.1135.1-179.7-60.30000111.2F59 N63 M106 G137 N138 E177 L225T57-F59 HydrophobicContact CG2-CD1 3.89Å; T57-F59 HydrophobicContact CG2-CE1 3.62Å; T57-N63 WeakPolarHBondContact O-CB 3.36Å; T57-N63 PolarHBondContact O-ND2 2.64Å; T57-M106 WeakPolarHBondContact O-CE 3.23Å; T57-G137 PolarHBondContact OG1-O 2.86Å; T57-N138 PolarHBondContact N-O 3.14Å; T57-N138 VanDerWaalsContact OG1-C 3.3Å; T57-N138 PolarHBondContact OG1-O 3.37Å; T57-E177 VanDerWaalsContact CA-OE2 3.22Å; T57-E177 WeakPolarHBondContact CA-OE2 3.4Å; T57-E177 HydrophobicContact CG2-CG 4.07Å; T57-E177 VanDerWaalsContact CG2-OE2 3.32Å; T57-E177 WeakPolarHBondContact CG2-OE2 3.09Å; T57-L225 HydrophobicContact CG2-CD2 3.98Å
58G71.6Confident86.5Confident19 Ų1931.9 Ų31.920%0.19616%0.155CC..SBendtrans-86.4-12.8-16000000118.6N63 E177 S181G58-N63 WeakPolarHBondContact CA-ND2 3.45Å; G58-N63 PolarHBondContact O-ND2 3.2Å; G58-E177 PolarHBondContact N-OE2 3.12Å; G58-S181 PolarHBondContact O-OG 2.97Å
59F68.7Low86.4Confident3 Ų327.5 Ų27.51%0.01314%0.139CC..SBendtrans-128.629.1-164.373.5-81.3000113.6T57 E177 H180 E184 L225T57-F59 HydrophobicContact CG2-CD1 3.89Å; T57-F59 HydrophobicContact CG2-CE1 3.62Å; F59-E177 HydrophobicContact CD1-CB 4.14Å; F59-E177 HydrophobicContact CD1-CG 3.96Å; F59-E177 HydrophobicContact CE1-CB 4.43Å; F59-E177 HydrophobicContact CE1-CG 3.77Å; F59-H180 HydrophobicContact CB-CB 3.37Å; F59-H180 HydrophobicContact CD1-CB 3.83Å; F59-H180 HydrophobicContact CD2-CB 3.3Å; F59-H180 AromaticContact CD2-CG 3.48Å; F59-H180 VanDerWaalsContact CD2-CG 3.48Å; F59-H180 AromaticContact CD2-ND1 3.88Å; F59-H180 HydrophobicContact CE1-CB 4.49Å; F59-H180 HydrophobicContact CE2-CB 4.07Å; F59-H180 AromaticContact CE2-CD2 3.92Å; F59-H180 AromaticContact CE2-CG 3.78Å; F59-H180 HydrophobicContact CG-CB 3.18Å; F59-H180 AromaticContact CG-CG 3.85Å; F59-E184 VanDerWaalsContact CA-OE2 3.23Å; F59-E184 WeakPolarHBondContact CA-OE2 3.06Å; F59-L225 HydrophobicContact CE1-CD2 4.35Å; F59-L225 HydrophobicContact CZ-CB 4.46Å; F59-L225 WeakPolarHBondContact CZ-O 3.21Å
60R73.4Confident86.5Confident13 Ų1324.1 Ų24.15%0.04912%0.121CC..  trans-120.6134.4175.8-67-175166.4168.9-1.8107.4Q62 N63 N138 R224 E600R60-Q62 PolarHBondContact O-N 3.3Å; R60-N63 VanDerWaalsContact O-CB 3.22Å; R60-N63 WeakPolarHBondContact O-CB 3.37Å; R60-N63 PolarHBondContact O-N 2.73Å; R60-N63 PolarHBondContact O-ND2 3.15Å; R60-N63 PolarHBondContact O-OD1 2.99Å; R60-N138 PolarHBondContact NH1-OD1 3.22Å; R60-R224 PolarHBondContact NH2-O 2.86Å; R60-E600 WeakPolarHBondContact CD-OE1 3.18Å; R60-E600 VanDerWaalsContact CG-OE1 3.32Å; R60-E600 WeakPolarHBondContact CG-OE1 3.19Å; R60-E600 IonicContact CZ-OE1 2.65Å; R60-E600 IonicContact CZ-OE2 3.08Å; R60-E600 IonicContact NE-OE1 3.34Å; R60-E600 PolarHBondContact NE-OE1 3.49Å; R60-E600 IonicContact NE-OE2 2.69Å; R60-E600 PolarHBondContact NE-OE2 3.3Å; R60-E600 IonicContact NH2-OE1 2.86Å; R60-E600 IonicContact NH2-OE2 3.66Å
61D74.5Confident86.3Confident69 Ų6926 Ų2637%0.36913%0.128SC..THydrogen-bonded Turntrans-48.4-31.6173.9-87.9-2.4000113.4N63 K197D61-N63 PolarHBondContact O-N 3.34Å; D61-K197 WeakPolarHBondContact OD2-CD 3.3Å; D61-K197 VanDerWaalsContact OD2-CE 3.29Å; D61-K197 WeakPolarHBondContact OD2-CE 3.33Å; D61-K197 IonicContact OD2-NZ 3.54Å; D61-K197 PolarHBondContact OD2-NZ 3.29Å
62Q85.6Confident85.9Confident21 Ų2128.2 Ų28.210%0.09814%0.137CC..Hα-helixtrans-70.9-15.5-179.9-65.4171.7900113.6R60 K64 E65 L66 L682 H704 L708R60-Q62 PolarHBondContact O-N 3.3Å; Q62-K64 PolarHBondContact O-N 3.36Å; Q62-E65 PolarHBondContact O-N 3.22Å; Q62-L66 WeakPolarHBondContact O-CB 3.38Å; Q62-L66 PolarHBondContact O-N 3.2Å; Q62-L682 HydrophobicContact CG-CD2 4.45Å; Q62-H704 PolarHBondContact OE1-CD2 3.14Å; Q62-H704 PolarHBondContact OE1-NE2 2.75Å; Q62-L708 HydrophobicContact CB-CD1 3.81Å; Q62-L708 HydrophobicContact CG-CD1 3.66Å
63N86.4Confident85.5Confident19 Ų1930.3 Ų30.310%0.10214%0.144CC..Hα-helixtrans-69.1-35.7-173.570.1-2.3000113.2V56 T57 G58 R60 D61 E65 L66 L67 M106V56-N63 HydrophobicContact CG1-CB 3.98Å; T57-N63 WeakPolarHBondContact O-CB 3.36Å; T57-N63 PolarHBondContact O-ND2 2.64Å; G58-N63 WeakPolarHBondContact CA-ND2 3.45Å; G58-N63 PolarHBondContact O-ND2 3.2Å; R60-N63 VanDerWaalsContact O-CB 3.22Å; R60-N63 WeakPolarHBondContact O-CB 3.37Å; R60-N63 PolarHBondContact O-N 2.73Å; R60-N63 PolarHBondContact O-ND2 3.15Å; R60-N63 PolarHBondContact O-OD1 2.99Å; D61-N63 PolarHBondContact O-N 3.34Å; N63-E65 VanDerWaalsContact C-N 3.31Å; N63-E65 PolarHBondContact O-N 3.39Å; N63-L66 PolarHBondContact O-N 3.2Å; N63-L67 VanDerWaalsContact O-CB 3.31Å; N63-L67 WeakPolarHBondContact O-CB 3.26Å; N63-L67 PolarHBondContact O-N 2.99Å; N63-M106 HydrophobicContact CB-CE 4.09Å
64K85Confident84.9Confident159 Ų15930.5 Ų30.569%0.69114%0.143SC*.Hα-helixtrans-62.3-43.7175.9-66.4-178.8-176.41750110.2Q62 L67 R68Q62-K64 PolarHBondContact O-N 3.36Å; K64-L67 PolarHBondContact O-N 3.04Å; K64-R68 WeakPolarHBondContact O-CB 3.3Å; K64-R68 PolarHBondContact O-N 2.84Å
65E86.5Confident84.1Confident15 Ų1535.4 Ų35.47%0.0716%0.162CC..Hα-helixtrans-69.5-41.5178.7-17456.7-156.900111.7Q62 N63 L67 R68 L69 L708Q62-E65 PolarHBondContact O-N 3.22Å; N63-E65 VanDerWaalsContact C-N 3.31Å; N63-E65 PolarHBondContact O-N 3.39Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 3.47Å; E65-R68 WeakPolarHBondContact O-CB 3.41Å; E65-R68 PolarHBondContact O-N 3.38Å; E65-R68 IonicContact OE1-CZ 3.25Å; E65-R68 IonicContact OE1-NE 2.72Å; E65-R68 PolarHBondContact OE1-NE 3.13Å; E65-R68 IonicContact OE1-NH2 3.69Å; E65-R68 PolarHBondContact OE1-NH2 3.1Å; E65-R68 IonicContact OE2-NE 3.8Å; E65-R68 PolarHBondContact OE2-NE 3.08Å; E65-R68 VanDerWaalsContact OE2-NE 3.12Å; E65-L69 WeakPolarHBondContact O-CG 3.41Å; E65-L69 PolarHBondContact O-N 3.09Å; E65-L708 HydrophobicContact CB-CD2 3.93Å; E65-L708 HydrophobicContact CG-CD2 3.57Å
66L90.7Very high83.1Confident1 Ų141.1 Ų41.11%0.00519%0.187CC..Hα-helixtrans-62-41.7173.8-174.659.3000112V56 Q62 N63 L69 I70 F129 E133 N138 I139V56-L66 HydrophobicContact CG1-CD2 4.15Å; V56-L66 HydrophobicContact CG1-CG 4.49Å; Q62-L66 WeakPolarHBondContact O-CB 3.38Å; Q62-L66 PolarHBondContact O-N 3.2Å; N63-L66 PolarHBondContact O-N 3.2Å; L66-L69 PolarHBondContact O-N 3.39Å; L66-I70 HydrophobicContact CG-CD1 4.33Å; L66-I70 WeakPolarHBondContact O-CG1 3.49Å; L66-I70 PolarHBondContact O-N 2.79Å; L66-F129 HydrophobicContact CD1-CE2 3.78Å; L66-F129 HydrophobicContact CD1-CZ 3.61Å; L66-E133 HydrophobicContact CD1-CG 4.34Å; L66-N138 HydrophobicContact CD2-CB 3.59Å; L66-I139 HydrophobicContact CD2-CD1 4.45Å; L66-I139 HydrophobicContact CD2-CG1 4.12Å
67L90.5Very high82.1Confident17 Ų1743.8 Ų43.89%0.08920%0.201CC..Hα-helixtrans-64.3-41175.4-17962.8000111.6V56 N63 K64 E65 I70 K71 E105 M106 W108V56-L67 HydrophobicContact CG2-CD1 4.41Å; N63-L67 VanDerWaalsContact O-CB 3.31Å; N63-L67 WeakPolarHBondContact O-CB 3.26Å; N63-L67 PolarHBondContact O-N 2.99Å; K64-L67 PolarHBondContact O-N 3.04Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 3.47Å; L67-I70 WeakPolarHBondContact O-CB 3.06Å; L67-I70 PolarHBondContact O-N 3.47Å; L67-K71 HydrophobicContact CG-CD 4.28Å; L67-K71 WeakPolarHBondContact O-CG 3.49Å; L67-K71 PolarHBondContact O-N 2.94Å; L67-E105 WeakPolarHBondContact CD1-O 3.04Å; L67-M106 HydrophobicContact CD2-SD 3.88Å; L67-W108 HydrophobicContact CD1-CZ2 4.09Å; L67-W108 VanDerWaalsContact CD1-NE1 3.33Å
68R86.7Confident81.4Confident35 Ų3544 Ų4413%0.13220%0.202CC..Hα-helixtrans-58.3-47.5173.3-172.7-163.969.478.4-0.1111K64 E65 I70 K71 Q72K64-R68 WeakPolarHBondContact O-CB 3.3Å; K64-R68 PolarHBondContact O-N 2.84Å; E65-R68 WeakPolarHBondContact O-CB 3.41Å; E65-R68 PolarHBondContact O-N 3.38Å; E65-R68 IonicContact OE1-CZ 3.25Å; E65-R68 IonicContact OE1-NE 2.72Å; E65-R68 PolarHBondContact OE1-NE 3.13Å; E65-R68 IonicContact OE1-NH2 3.69Å; E65-R68 PolarHBondContact OE1-NH2 3.1Å; E65-R68 IonicContact OE2-NE 3.8Å; E65-R68 PolarHBondContact OE2-NE 3.08Å; E65-R68 VanDerWaalsContact OE2-NE 3.12Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 PolarHBondContact O-N 3.2Å; R68-K71 PolarHBondContact O-N 2.55Å; R68-K71 VanDerWaalsContact O-N 3.14Å; R68-Q72 HydrophobicContact CG-CG 4.32Å; R68-Q72 WeakPolarHBondContact O-CB 3.34Å; R68-Q72 PolarHBondContact O-N 3.47Å
69L87.1Confident81.4Confident13 Ų1345.3 Ų45.37%0.06821%0.208CC..Hα-helixtrans-58.4-42.1176.1-71.9172.4000111.9E65 L66 K73 R707 L708E65-L69 WeakPolarHBondContact O-CG 3.41Å; E65-L69 PolarHBondContact O-N 3.09Å; L66-L69 PolarHBondContact O-N 3.39Å; L69-K73 VanDerWaalsContact O-CB 3.3Å; L69-K73 WeakPolarHBondContact O-CB 3.06Å; L69-K73 PolarHBondContact O-N 2.62Å; L69-R707 HydrophobicContact CD1-CB 4.28Å; L69-L708 HydrophobicContact CD1-CD2 4.18Å
70I89.9Confident81.4Confident1 Ų150 Ų501%0.00523%0.23CC..Iπ-helixtrans-60-46.3174.7-69.8161.2000111.3F54 V56 L66 L67 R68 R75 F96 W108 F129 I139F54-I70 HydrophobicContact CE2-CD1 4.04Å; V56-I70 HydrophobicContact CG2-CD1 3.59Å; L66-I70 HydrophobicContact CG-CD1 4.33Å; L66-I70 WeakPolarHBondContact O-CG1 3.49Å; L66-I70 PolarHBondContact O-N 2.79Å; L67-I70 WeakPolarHBondContact O-CB 3.06Å; L67-I70 PolarHBondContact O-N 3.47Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 PolarHBondContact O-N 3.2Å; I70-R75 PolarHBondContact O-N 3.1Å; I70-R75 VanDerWaalsContact O-N 3.11Å; I70-F96 HydrophobicContact CG2-CE1 4.17Å; I70-F96 HydrophobicContact CG2-CZ 3.85Å; I70-W108 HydrophobicContact CG2-CD2 3.83Å; I70-W108 HydrophobicContact CG2-CE3 4Å; I70-W108 HydrophobicContact CG2-CG 4.4Å; I70-W108 HydrophobicContact CG2-CH2 4.15Å; I70-W108 HydrophobicContact CG2-CZ2 4.02Å; I70-W108 HydrophobicContact CG2-CZ3 4.14Å; I70-F129 HydrophobicContact CD1-CE1 4.32Å; I70-F129 HydrophobicContact CD1-CZ 4.27Å; I70-F129 HydrophobicContact CG1-CE1 3.89Å; I70-F129 HydrophobicContact CG1-CZ 3.85Å; I70-I139 HydrophobicContact CD1-CD1 4.21Å
71K87.5Confident81Confident77 Ų7750.3 Ų50.334%0.33523%0.232SC..Iπ-helixtrans-68-40.1-178.7-74.4175.4172.9-168.70113.5L67 R68 R75 E105 W108L67-K71 HydrophobicContact CG-CD 4.28Å; L67-K71 WeakPolarHBondContact O-CG 3.49Å; L67-K71 PolarHBondContact O-N 2.94Å; R68-K71 PolarHBondContact O-N 2.55Å; R68-K71 VanDerWaalsContact O-N 3.14Å; K71-R75 WeakPolarHBondContact O-CB 3.33Å; K71-E105 WeakPolarHBondContact CE-OE2 3.43Å; K71-E105 IonicContact NZ-OE2 2.71Å; K71-E105 PolarHBondContact NZ-OE2 3.17Å; K71-W108 HydrophobicContact CB-CH2 4.46Å; K71-W108 HydrophobicContact CD-CZ2 4.43Å; K71-W108 HydrophobicContact CG-CH2 3.66Å; K71-W108 HydrophobicContact CG-CZ2 3.49Å; K71-W108 VanDerWaalsContact CG-CZ2 3.49Å
72Q83.8Confident80.3Confident63 Ų6349.9 Ų49.929%0.29423%0.228SC..Iπ-helixtrans-92.8-42.6-171-69.2-172-5.900113.1R68 K76R68-Q72 HydrophobicContact CG-CG 4.32Å; R68-Q72 WeakPolarHBondContact O-CB 3.34Å; R68-Q72 PolarHBondContact O-N 3.47Å; Q72-K76 WeakPolarHBondContact O-CB 3.39Å
73K82.6Confident79Confident93 Ų9356.8 Ų56.840%0.40426%0.26SS..Iπ-helixtrans-82.2-72.3-178.5-174.7172.6-179.2168.50110L69 R75 K76 D77L69-K73 VanDerWaalsContact O-CB 3.3Å; L69-K73 WeakPolarHBondContact O-CB 3.06Å; L69-K73 PolarHBondContact O-N 2.62Å; K73-R75 PolarHBondContact O-N 2.72Å; K73-K76 PolarHBondContact O-N 3.05Å; K73-D77 PolarHBondContact O-N 3.2Å; K73-D77 VanDerWaalsContact O-N 3.09Å
74Y81Confident77.3Confident16 Ų1665.6 Ų65.66%0.06329%0.293CS..Iπ-helixtrans-69.9-37-168.6-61-77.1000114.3I78 T125 L126 F129Y74-I78 WeakPolarHBondContact O-CB 3.41Å; Y74-I78 VanDerWaalsContact O-CD1 3.25Å; Y74-I78 WeakPolarHBondContact O-CD1 3.49Å; Y74-I78 WeakPolarHBondContact O-CG1 3.36Å; Y74-I78 PolarHBondContact O-N 2.78Å; Y74-T125 HydrophobicContact CE1-CG2 4.33Å; Y74-L126 HydrophobicContact CD1-CB 4.15Å; Y74-L126 HydrophobicContact CD1-CD1 3.74Å; Y74-L126 HydrophobicContact CE1-CD1 4.35Å; Y74-L126 HydrophobicContact CG-CD1 3.83Å; Y74-F129 HydrophobicContact CD2-CD1 4.45Å; Y74-F129 HydrophobicContact CD2-CE1 4.4Å; Y74-F129 HydrophobicContact CE1-CB 4.23Å; Y74-F129 HydrophobicContact CE1-CG 4.36Å; Y74-F129 AromaticContact CE2-CD1 3.93Å; Y74-F129 HydrophobicContact CE2-CD1 3.93Å; Y74-F129 AromaticContact CE2-CD2 3.84Å; Y74-F129 HydrophobicContact CE2-CD2 3.84Å; Y74-F129 HydrophobicContact CE2-CE1 4.03Å; Y74-F129 AromaticContact CE2-CE2 3.93Å; Y74-F129 HydrophobicContact CE2-CE2 3.93Å; Y74-F129 AromaticContact CE2-CG 3.83Å; Y74-F129 HydrophobicContact CE2-CG 3.83Å; Y74-F129 HydrophobicContact CE2-CZ 4.02Å; Y74-F129 AromaticContact CZ-CD2 3.8Å; Y74-F129 AromaticContact CZ-CG 3.6Å; Y74-F129 WeakPolarHBondContact OH-CB 3.17Å; Y74-F129 VanDerWaalsContact OH-CD2 3.26Å; Y74-F129 WeakPolarHBondContact OH-CD2 3.4Å; Y74-F129 WeakPolarHBondContact OH-CG 3.38Å
75R78Confident75.5Confident102 Ų10260.7 Ų60.739%0.38527%0.273SS..Hα-helixtrans-65.3-40.4176.9-174.4-175.7-179.5140.3-0.5112.2I70 K71 K73 S79 F96 W108I70-R75 PolarHBondContact O-N 3.1Å; I70-R75 VanDerWaalsContact O-N 3.11Å; K71-R75 WeakPolarHBondContact O-CB 3.33Å; K73-R75 PolarHBondContact O-N 2.72Å; R75-S79 VanDerWaalsContact O-CB 3.31Å; R75-S79 WeakPolarHBondContact O-CB 3.17Å; R75-S79 PolarHBondContact O-N 3.48Å; R75-S79 PolarHBondContact O-OG 2.98Å; R75-F96 HydrophobicContact CB-CD1 4.12Å; R75-F96 HydrophobicContact CB-CE1 4.22Å; R75-F96 HydrophobicContact CG-CD1 4.5Å; R75-W108 HydrophobicContact CB-CZ3 4.24Å; R75-W108 HydrophobicContact CG-CZ3 4.31Å
76K74.2Confident73.6Confident126 Ų12664.1 Ų64.155%0.54830%0.298SS..Hα-helixtrans-64.2-53.1178.2-175-179.2174-174.60110.2Q72 K73 I78 S79 E80Q72-K76 WeakPolarHBondContact O-CB 3.39Å; K73-K76 PolarHBondContact O-N 3.05Å; K76-I78 VanDerWaalsContact C-N 3.27Å; K76-I78 PolarHBondContact O-N 3.25Å; K76-S79 PolarHBondContact O-N 3.07Å; K76-S79 VanDerWaalsContact O-N 3.1Å; K76-E80 WeakPolarHBondContact CE-OE1 3.49Å; K76-E80 WeakPolarHBondContact CG-OE1 3.36Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.3Å
77D72.8Confident71.3Confident57 Ų5769.8 Ų69.831%0.30533%0.329SS..Hα-helixtrans-53.5-44.9179-58.3-15.1000111.4K73 E80 M81K73-D77 PolarHBondContact O-N 3.2Å; K73-D77 VanDerWaalsContact O-N 3.09Å; D77-E80 PolarHBondContact O-N 3.42Å; D77-M81 WeakPolarHBondContact O-CG 3.4Å; D77-M81 PolarHBondContact O-N 3.44Å
78I72.3Confident69.2Low6 Ų678 Ų783%0.03137%0.367CS..Hα-helixtrans-75.3-34-179-63.9161.4000112.6Y74 K76 E80 M81 Q82 F96 L110 L126Y74-I78 WeakPolarHBondContact O-CB 3.41Å; Y74-I78 VanDerWaalsContact O-CD1 3.25Å; Y74-I78 WeakPolarHBondContact O-CD1 3.49Å; Y74-I78 WeakPolarHBondContact O-CG1 3.36Å; Y74-I78 PolarHBondContact O-N 2.78Å; K76-I78 VanDerWaalsContact C-N 3.27Å; K76-I78 PolarHBondContact O-N 3.25Å; I78-E80 VanDerWaalsContact C-N 3.29Å; I78-E80 PolarHBondContact O-N 3.17Å; I78-M81 WeakPolarHBondContact O-CB 3.49Å; I78-M81 PolarHBondContact O-N 3.24Å; I78-Q82 PolarHBondContact O-N 3.2Å; I78-F96 HydrophobicContact CB-CB 4.23Å; I78-F96 HydrophobicContact CD1-CB 3.91Å; I78-F96 HydrophobicContact CD1-CD1 3.54Å; I78-F96 HydrophobicContact CD1-CD2 4.47Å; I78-F96 HydrophobicContact CD1-CE1 4.13Å; I78-F96 HydrophobicContact CD1-CG 3.71Å; I78-F96 HydrophobicContact CG2-CB 3.69Å; I78-L110 HydrophobicContact CD1-CD1 4.41Å; I78-L126 HydrophobicContact CD1-CD2 3.7Å
79S73Confident67.4Low45 Ų4585.9 Ų85.932%0.31540%0.402SS..Hα-helixtrans-65.2-37.4175.4-56.90000110.7R75 K76 M81 Q82R75-S79 VanDerWaalsContact O-CB 3.31Å; R75-S79 WeakPolarHBondContact O-CB 3.17Å; R75-S79 PolarHBondContact O-N 3.48Å; R75-S79 PolarHBondContact O-OG 2.98Å; K76-S79 PolarHBondContact O-N 3.07Å; K76-S79 VanDerWaalsContact O-N 3.1Å; S79-M81 VanDerWaalsContact C-N 3.31Å; S79-M81 PolarHBondContact O-N 2.97Å; S79-Q82 PolarHBondContact O-N 2.75Å
80E68.9Low65.4Low103 Ų10389.5 Ų89.548%0.48142%0.421SS..Hα-helixtrans-63.8-36.9172.9-68.8173.5-170.600111.4K76 D77 I78 Y84K76-E80 WeakPolarHBondContact CE-OE1 3.49Å; K76-E80 WeakPolarHBondContact CG-OE1 3.36Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.3Å; D77-E80 PolarHBondContact O-N 3.42Å; I78-E80 VanDerWaalsContact C-N 3.29Å; I78-E80 PolarHBondContact O-N 3.17Å; E80-Y84 WeakPolarHBondContact O-CD2 3.4Å
81M64.6Low63.3Low18 Ų1898.5 Ų98.59%0.08946%0.463CS..Hα-helixtrans-68.9-31.1175.4-71.5178.258.300115.1D77 I78 S79 H83 Y84 M85 T120 E122 L123D77-M81 WeakPolarHBondContact O-CG 3.4Å; D77-M81 PolarHBondContact O-N 3.44Å; I78-M81 WeakPolarHBondContact O-CB 3.49Å; I78-M81 PolarHBondContact O-N 3.24Å; S79-M81 VanDerWaalsContact C-N 3.31Å; S79-M81 PolarHBondContact O-N 2.97Å; M81-H83 PolarHBondContact O-N 3.31Å; M81-Y84 PolarHBondContact O-N 3.46Å; M81-M85 HydrophobicContact CE-CG 4.47Å; M81-M85 HydrophobicContact CE-SD 3.65Å; M81-M85 PolarHBondContact O-N 3.13Å; M81-T120 HydrophobicContact CE-CG2 3.19Å; M81-T120 HydrophobicContact SD-CG2 4.02Å; M81-E122 HydrophobicContact SD-CB 3.49Å; M81-E122 WeakPolarHBondContact SD-CB 3.34Å; M81-E122 HydrophobicContact SD-CG 3.92Å; M81-L123 HydrophobicContact CE-CD1 4.09Å; M81-L123 HydrophobicContact CE-CG 3.96Å
82Q59.5Low61.6Low60 Ų6098.7 Ų98.728%0.2847%0.471SS..Hα-helixtrans-56.5-26.4-178.3-79.4171.90.700112.4I78 S79 Y84 G94I78-Q82 PolarHBondContact O-N 3.2Å; S79-Q82 PolarHBondContact O-N 2.75Å; Q82-Y84 VanDerWaalsContact C-N 3.29Å; Q82-Y84 PolarHBondContact O-N 2.96Å; Q82-G94 WeakPolarHBondContact CG-O 3.47Å; Q82-G94 PolarHBondContact NE2-O 2.77Å
83H57.6Low60.5Low166 Ų166100.3 Ų100.377%0.76948%0.482SS*.THydrogen-bonded Turntrans-69.6-20.7174.2-72.9-64.9000114.3M81M81-H83 PolarHBondContact O-N 3.31Å
84Y50.2Low59.9Low205 Ų20596 Ų9680%0.80446%0.464SS*.THydrogen-bonded Turntrans-105.6-17.8-174-65.4-80.3000114.6E80 M81 Q82 C86E80-Y84 WeakPolarHBondContact O-CD2 3.4Å; M81-Y84 PolarHBondContact O-N 3.46Å; Q82-Y84 VanDerWaalsContact C-N 3.29Å; Q82-Y84 PolarHBondContact O-N 2.96Å; Y84-C86 PolarHBondContact O-N 2.9Å
85M48.2Very low59.9Low55 Ų5597.2 Ų97.227%0.27147%0.473SS..  trans-90.813.5-171.4-77.4-171.165.600115.6M81 D87 A116 L123M81-M85 HydrophobicContact CE-CG 4.47Å; M81-M85 HydrophobicContact CE-SD 3.65Å; M81-M85 PolarHBondContact O-N 3.13Å; M85-D87 PolarHBondContact O-N 3.28Å; M85-A116 HydrophobicContact CE-CB 3.51Å; M85-L123 HydrophobicContact SD-CD1 4.45Å
86C46.1Very low60.4Low88 Ų8892.6 Ų92.660%0.59546%0.456SS*.  trans-70.367.1173.5-630000111.3Y84Y84-C86 PolarHBondContact O-N 2.9Å
87D43.8Very low61.1Low120 Ų12090.7 Ų90.764%0.64245%0.449SS*.  trans-77.5124.7169.6-124.2-22000108.3M85 K89 D90M85-D87 PolarHBondContact O-N 3.28Å; D87-K89 PolarHBondContact O-N 2.92Å; D87-D90 PolarHBondContact O-N 3.25Å
88E45.8Very low62Low190 Ų19088.5 Ų88.589%0.88844%0.438SS*.THydrogen-bonded Turntrans-55.9-17.5-171.8-66.6-177155.200115.1
89K48Very low62.9Low200 Ų20088.8 Ų88.887%0.8744%0.44SS*.THydrogen-bonded Turntrans-93.1-25.7-175.4-68.6-175.4179177.40114.9D87D87-K89 PolarHBondContact O-N 2.92Å
90D46.4Very low63.6Low89 Ų8989.6 Ų89.648%0.47644%0.444SS..  trans-117.788.2177.4-90.6-18.3000107.5D87 T92D87-D90 PolarHBondContact O-N 3.25Å; D90-T92 PolarHBondContact O-N 3.31Å
91Q44.9Very low64.6Low190 Ų19085.5 Ų85.589%0.88842%0.424SS*.  trans-62.814-178.6-75.5-176.2-17.300115.6
92T51.3Low65.8Low81 Ų8185.3 Ų85.350%0.49742%0.422SS..  trans-101.4102.3177.855.80000110.2D90 G94D90-T92 PolarHBondContact O-N 3.31Å; T92-G94 PolarHBondContact O-N 3.33Å; T92-G94 VanDerWaalsContact O-N 3.14Å
93N60.8Low67.1Low96 Ų9683.9 Ų83.951%0.51342%0.418SS..  trans-53.1120.4160.8-71.5-1.4000108T95N93-T95 PolarHBondContact O-N 3.37Å; N93-T95 VanDerWaalsContact O-N 3.16Å
94G70.4Confident68.4Low4 Ų481.2 Ų81.24%0.04141%0.41CS..  trans-67110.5-177.100000111.8Q82 T92 S111Q82-G94 WeakPolarHBondContact CG-O 3.47Å; Q82-G94 PolarHBondContact NE2-O 2.77Å; T92-G94 PolarHBondContact O-N 3.33Å; T92-G94 VanDerWaalsContact O-N 3.14Å; G94-S111 WeakPolarHBondContact CA-O 3.49Å
95T82Confident70.3Confident41 Ų4173.7 Ų73.725%0.25238%0.382SS..EExtended strand (participates in β ladder)trans-89.2140.817971.40000112.2N93 E97 L110 S111N93-T95 PolarHBondContact O-N 3.37Å; N93-T95 VanDerWaalsContact O-N 3.16Å; T95-E97 PolarHBondContact OG1-OE1 3.03Å; T95-L110 CarbonylContact O-C 3.56Å; T95-L110 VanDerWaalsContact O-CA 3.29Å; T95-L110 WeakPolarHBondContact O-CA 3.44Å; T95-S111 PolarHBondContact N-O 3.47Å; T95-S111 PolarHBondContact O-N 3.18Å; T95-S111 VanDerWaalsContact OG1-CB 3.28Å; T95-S111 WeakPolarHBondContact OG1-CB 3.36Å; T95-S111 PolarHBondContact OG1-OG 3.09Å
96F88.4Confident72.3Confident5 Ų571.9 Ų71.92%0.02237%0.373CS..EExtended strand (participates in β ladder)trans-128.7102.9165.9-178.1-123000109.7F54 I70 R75 I78 W108 Q109 L110 L126F54-F96 AromaticContact CE1-CE2 3.77Å; F54-F96 HydrophobicContact CE1-CE2 3.77Å; F54-F96 HydrophobicContact CE1-CZ 4.3Å; F54-F96 AromaticContact CZ-CE2 3.9Å; F54-F96 HydrophobicContact CZ-CE2 3.9Å; F54-F96 AromaticContact CZ-CZ 3.99Å; F54-F96 HydrophobicContact CZ-CZ 3.99Å; I70-F96 HydrophobicContact CG2-CE1 4.17Å; I70-F96 HydrophobicContact CG2-CZ 3.85Å; R75-F96 HydrophobicContact CB-CD1 4.12Å; R75-F96 HydrophobicContact CB-CE1 4.22Å; R75-F96 HydrophobicContact CG-CD1 4.5Å; I78-F96 HydrophobicContact CB-CB 4.23Å; I78-F96 HydrophobicContact CD1-CB 3.91Å; I78-F96 HydrophobicContact CD1-CD1 3.54Å; I78-F96 HydrophobicContact CD1-CD2 4.47Å; I78-F96 HydrophobicContact CD1-CE1 4.13Å; I78-F96 HydrophobicContact CD1-CG 3.71Å; I78-F96 HydrophobicContact CG2-CB 3.69Å; F96-W108 HydrophobicContact CD1-CE3 4.28Å; F96-W108 HydrophobicContact CD1-CZ3 4.25Å; F96-W108 HydrophobicContact CD2-CE3 4.38Å; F96-W108 AromaticContact CE1-CE3 3.81Å; F96-W108 HydrophobicContact CE1-CE3 3.81Å; F96-W108 AromaticContact CE1-CZ3 3.89Å; F96-W108 HydrophobicContact CE1-CZ3 3.89Å; F96-W108 HydrophobicContact CE2-CB 4.24Å; F96-W108 AromaticContact CE2-CE3 3.89Å; F96-W108 HydrophobicContact CE2-CE3 3.89Å; F96-W108 HydrophobicContact CZ-CD2 4.33Å; F96-W108 AromaticContact CZ-CE3 3.61Å; F96-W108 HydrophobicContact CZ-CE3 3.61Å; F96-W108 HydrophobicContact CZ-CZ3 4.16Å; F96-Q109 WeakPolarHBondContact CA-O 3.21Å; F96-L110 HydrophobicContact CB-CD1 3.75Å; F96-L110 HydrophobicContact CD2-CB 3.93Å; F96-L110 HydrophobicContact CD2-CD1 3.94Å; F96-L110 HydrophobicContact CG-CD1 4.14Å; F96-L126 HydrophobicContact CZ-CD1 4.47Å
97E88.4Confident74.6Confident85 Ų8567.7 Ų67.740%0.39735%0.345SS..EExtended strand (participates in β ladder)trans-142.7153.5-167.664.8-161.1145.700112.2T95 W108 Q109T95-E97 PolarHBondContact OG1-OE1 3.03Å; E97-W108 CarbonylContact O-C 3.4Å; E97-W108 WeakPolarHBondContact O-CA 3.4Å; E97-Q109 PolarHBondContact N-O 2.68Å; E97-Q109 PolarHBondContact O-N 3.29Å
98S91.4Very high77Confident12 Ų1262 Ų628%0.08431%0.314CS..EExtended strand (participates in β ladder)trans-69.2142.8167.9177.20000109.5P100 E105 A107S98-P100 WeakPolarHBondContact O-CD 3.43Å; S98-E105 WeakPolarHBondContact OG-CA 3.25Å; S98-E105 VanDerWaalsContact OG-CB 3.28Å; S98-E105 WeakPolarHBondContact OG-CB 3.38Å; S98-A107 WeakPolarHBondContact CA-O 3.21Å; S98-A107 PolarHBondContact OG-O 3.08Å
99L91.4Very high79.3Confident12 Ų1253.5 Ų53.56%0.06327%0.274CS..  trans-79.4104.7172.5-70.8170.5000108.5W101 Y102 A107 Q109 A144 M147L99-W101 HydrophobicContact CB-CZ2 4.24Å; L99-W101 HydrophobicContact CD1-CZ2 3.8Å; L99-W101 HydrophobicContact CD2-CZ2 4.45Å; L99-W101 HydrophobicContact CG-CZ2 4.4Å; L99-W101 PolarHBondContact O-N 3.38Å; L99-W101 VanDerWaalsContact O-N 3.14Å; L99-Y102 WeakPolarHBondContact O-CB 3.39Å; L99-Y102 PolarHBondContact O-N 3.19Å; L99-A107 HydrophobicContact CB-CB 4.29Å; L99-A107 HydrophobicContact CD1-CB 3.92Å; L99-A107 PolarHBondContact N-O 3.3Å; L99-Q109 HydrophobicContact CD2-CB 3.92Å; L99-Q109 HydrophobicContact CG-CB 4.17Å; L99-A144 HydrophobicContact CD1-CB 4.41Å; L99-M147 HydrophobicContact CD1-CE 4.44Å
100P88.2Confident81.3Confident62 Ų6244.1 Ų44.140%0.40323%0.234SC..THydrogen-bonded Turntrans-68.4-21.6-165.7-17.130.2000114.2S98 Y102 R374S98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-Y102 VanDerWaalsContact C-N 3.3Å; P100-R374 WeakPolarHBondContact CB-O 3.39Å
101W88.3Confident83.2Confident17 Ų1740.9 Ų40.96%0.06422%0.218CC..THydrogen-bonded Turntrans-79.2-12.3175.459.5-98.9000113.1L99 A144 M147 L148 L151 L363 R375 F377L99-W101 HydrophobicContact CB-CZ2 4.24Å; L99-W101 HydrophobicContact CD1-CZ2 3.8Å; L99-W101 HydrophobicContact CD2-CZ2 4.45Å; L99-W101 HydrophobicContact CG-CZ2 4.4Å; L99-W101 PolarHBondContact O-N 3.38Å; L99-W101 VanDerWaalsContact O-N 3.14Å; W101-A144 WeakPolarHBondContact CH2-O 3.34Å; W101-A144 HydrophobicContact CZ2-CB 4.02Å; W101-M147 HydrophobicContact CH2-CB 4.1Å; W101-M147 HydrophobicContact CH2-CG 4.37Å; W101-M147 HydrophobicContact CH2-SD 4.35Å; W101-M147 HydrophobicContact CZ3-CB 4.49Å; W101-L148 HydrophobicContact CE3-CD2 4.17Å; W101-L148 HydrophobicContact CH2-CD2 4.31Å; W101-L148 HydrophobicContact CZ3-CD2 3.78Å; W101-L151 HydrophobicContact CZ3-CD1 4.24Å; W101-L363 WeakPolarHBondContact O-CD1 3.19Å; W101-R375 VanDerWaalsContact CA-O 3.23Å; W101-R375 WeakPolarHBondContact CA-O 3.3Å; W101-R375 WeakPolarHBondContact CB-O 3.34Å; W101-F377 HydrophobicContact CB-CB 4.12Å; W101-F377 AromaticContact CD1-CD2 3.79Å; W101-F377 HydrophobicContact CD2-CB 4.47Å; W101-F377 AromaticContact CD2-CD2 3.52Å; W101-F377 HydrophobicContact CD2-CD2 3.52Å; W101-F377 HydrophobicContact CD2-CE2 4.26Å; W101-F377 HydrophobicContact CD2-CG 4.46Å; W101-F377 AromaticContact CE2-CD2 3.45Å; W101-F377 VanDerWaalsContact CE2-CD2 3.45Å; W101-F377 AromaticContact CE2-CE2 3.75Å; W101-F377 HydrophobicContact CE3-CD2 4.03Å; W101-F377 HydrophobicContact CG-CB 4.12Å; W101-F377 AromaticContact CG-CD2 3.77Å; W101-F377 HydrophobicContact CG-CD2 3.77Å; W101-F377 HydrophobicContact CG-CG 4.46Å; W101-F377 HydrophobicContact CH2-CD2 4.39Å; W101-F377 HydrophobicContact CH2-CE2 4.28Å; W101-F377 AromaticContact CZ2-CD2 3.92Å; W101-F377 HydrophobicContact CZ2-CD2 3.92Å; W101-F377 AromaticContact CZ2-CE2 3.78Å; W101-F377 HydrophobicContact CZ2-CE2 3.78Å; W101-F377 HydrophobicContact CZ3-CD2 4.43Å; W101-F377 AromaticContact NE1-CD2 3.6Å; W101-F377 AromaticContact NE1-CE2 3.98Å
102Y90.4Very high84.9Confident13 Ų1332.8 Ų32.85%0.05118%0.182CC..SBendtrans-88.4132.4177.9-162.5-80.5000109.6R55 L99 P100 M106 A107 M147 L151 Q174R55-Y102 WeakPolarHBondContact CD-OH 3.25Å; R55-Y102 HydrophobicContact CG-CE1 4.29Å; R55-Y102 PolarHBondContact NE-OH 2.78Å; L99-Y102 WeakPolarHBondContact O-CB 3.39Å; L99-Y102 PolarHBondContact O-N 3.19Å; P100-Y102 VanDerWaalsContact C-N 3.3Å; Y102-M106 HydrophobicContact CD1-CB 3.98Å; Y102-M106 HydrophobicContact CE1-CB 3.88Å; Y102-A107 HydrophobicContact CD1-CB 3.67Å; Y102-A107 HydrophobicContact CD2-CB 3.68Å; Y102-A107 HydrophobicContact CE1-CB 4.38Å; Y102-A107 HydrophobicContact CE2-CB 4.36Å; Y102-A107 HydrophobicContact CG-CB 3.32Å; Y102-M147 HydrophobicContact CD2-CB 4.25Å; Y102-M147 HydrophobicContact CD2-SD 3.9Å; Y102-M147 HydrophobicContact CE2-CB 3.87Å; Y102-M147 HydrophobicContact CE2-SD 3.91Å; Y102-L151 HydrophobicContact CD2-CD1 3.92Å; Y102-L151 HydrophobicContact CE2-CD1 3.64Å; Y102-L151 HydrophobicContact CE2-CD2 4.34Å; Y102-L151 HydrophobicContact CE2-CG 4.28Å; Y102-Q174 PolarHBondContact OH-NE2 2.87Å; Y102-Q174 VanDerWaalsContact OH-NE2 3.16Å
103P87.6Confident85.9Confident30 Ų3030.6 Ų30.620%0.19517%0.17CC..G310 helixtrans-53.7141.6-177.4-27.433.6000114.3E105 M106 L151 I358 L363P103-E105 PolarHBondContact O-N 3.21Å; P103-E105 VanDerWaalsContact O-N 3.09Å; P103-M106 PolarHBondContact O-N 3.18Å; P103-L151 HydrophobicContact CG-CD2 4.27Å; P103-I358 HydrophobicContact CG-CD1 4.41Å; P103-L363 HydrophobicContact CG-CD1 4.43Å; P103-L363 HydrophobicContact CG-CD2 3.99Å
104N85.3Confident86.4Confident111 Ų11131.9 Ų31.959%0.59417%0.171SC*.G310 helixtrans57.322.7171.5-50.9-39.2000114.9M106N104-M106 HydrophobicContact CB-CG 3.86Å; N104-M106 PolarHBondContact O-N 2.99Å; N104-M106 VanDerWaalsContact O-N 3.12Å
105E88.7Confident86.3Confident46 Ų4638.3 Ų38.322%0.21520%0.195CC..G310 helixtrans5627.9-176.8-59.2-179.9-17800113.4L67 K71 S98 P103 A107 W108 S367L67-E105 WeakPolarHBondContact CD1-O 3.04Å; K71-E105 WeakPolarHBondContact CE-OE2 3.43Å; K71-E105 IonicContact NZ-OE2 2.71Å; K71-E105 PolarHBondContact NZ-OE2 3.17Å; S98-E105 WeakPolarHBondContact OG-CA 3.25Å; S98-E105 VanDerWaalsContact OG-CB 3.28Å; S98-E105 WeakPolarHBondContact OG-CB 3.38Å; P103-E105 PolarHBondContact O-N 3.21Å; P103-E105 VanDerWaalsContact O-N 3.09Å; E105-A107 VanDerWaalsContact C-N 3.29Å; E105-A107 PolarHBondContact O-N 3.2Å; E105-W108 PolarHBondContact O-NE1 3.28Å; E105-S367 PolarHBondContact OE1-OG 3.06Å
106M91.5Very high85.8Confident18 Ų1836.9 Ų36.99%0.08919%0.187CC..  trans-79-12.8-175.2-67.9-66.5-8400112.9R55 V56 T57 N63 L67 Y102 P103 N104R55-M106 CarbonylContact C-O 3.53Å; R55-M106 VanDerWaalsContact CA-O 3.25Å; R55-M106 WeakPolarHBondContact CA-O 3.28Å; R55-M106 WeakPolarHBondContact CG-O 3.1Å; V56-M106 HydrophobicContact CB-CE 3.72Å; V56-M106 HydrophobicContact CB-SD 4.1Å; V56-M106 HydrophobicContact CG1-CE 3.77Å; V56-M106 HydrophobicContact CG1-SD 4.44Å; V56-M106 PolarHBondContact N-O 3.33Å; V56-M106 WeakPolarHBondContact O-CE 3.37Å; T57-M106 WeakPolarHBondContact O-CE 3.23Å; N63-M106 HydrophobicContact CB-CE 4.09Å; L67-M106 HydrophobicContact CD2-SD 3.88Å; Y102-M106 HydrophobicContact CD1-CB 3.98Å; Y102-M106 HydrophobicContact CE1-CB 3.88Å; P103-M106 PolarHBondContact O-N 3.18Å; N104-M106 HydrophobicContact CB-CG 3.86Å; N104-M106 PolarHBondContact O-N 2.99Å; N104-M106 VanDerWaalsContact O-N 3.12Å
107A94.3Very high85Confident0 Ų037.1 Ų37.10%019%0.189CC..EExtended strand (participates in β ladder)trans-114.5138.9177.600000111.5F54 R55 S98 L99 Y102 E105 M147F54-A107 CarbonylContact O-C 3.36Å; F54-A107 WeakPolarHBondContact O-CA 3.46Å; R55-A107 HydrophobicContact CB-CB 4.34Å; S98-A107 WeakPolarHBondContact CA-O 3.21Å; S98-A107 PolarHBondContact OG-O 3.08Å; L99-A107 HydrophobicContact CB-CB 4.29Å; L99-A107 HydrophobicContact CD1-CB 3.92Å; L99-A107 PolarHBondContact N-O 3.3Å; Y102-A107 HydrophobicContact CD1-CB 3.67Å; Y102-A107 HydrophobicContact CD2-CB 3.68Å; Y102-A107 HydrophobicContact CE1-CB 4.38Å; Y102-A107 HydrophobicContact CE2-CB 4.36Å; Y102-A107 HydrophobicContact CG-CB 3.32Å; E105-A107 VanDerWaalsContact C-N 3.29Å; E105-A107 PolarHBondContact O-N 3.2Å; A107-M147 HydrophobicContact CB-CE 4.26Å; A107-M147 HydrophobicContact CB-SD 3.8Å
108W94.4Very high84.2Confident0 Ų041.4 Ų41.40%020%0.202CC..EExtended strand (participates in β ladder)trans-132.8152.8-172.8-72.167.8000110.6T53 F54 L67 I70 K71 R75 F96 E97 E105T53-W108 WeakPolarHBondContact CA-O 3.29Å; F54-W108 HydrophobicContact CD1-CB 4.41Å; F54-W108 HydrophobicContact CD2-CB 4.45Å; F54-W108 HydrophobicContact CE1-CB 3.82Å; F54-W108 HydrophobicContact CE2-CB 3.84Å; F54-W108 HydrophobicContact CE2-CG 4.23Å; F54-W108 HydrophobicContact CZ-CB 3.5Å; F54-W108 HydrophobicContact CZ-CG 4.08Å; F54-W108 PolarHBondContact N-O 2.8Å; F54-W108 PolarHBondContact O-N 2.61Å; L67-W108 HydrophobicContact CD1-CZ2 4.09Å; L67-W108 VanDerWaalsContact CD1-NE1 3.33Å; I70-W108 HydrophobicContact CG2-CD2 3.83Å; I70-W108 HydrophobicContact CG2-CE3 4Å; I70-W108 HydrophobicContact CG2-CG 4.4Å; I70-W108 HydrophobicContact CG2-CH2 4.15Å; I70-W108 HydrophobicContact CG2-CZ2 4.02Å; I70-W108 HydrophobicContact CG2-CZ3 4.14Å; K71-W108 HydrophobicContact CB-CH2 4.46Å; K71-W108 HydrophobicContact CD-CZ2 4.43Å; K71-W108 HydrophobicContact CG-CH2 3.66Å; K71-W108 HydrophobicContact CG-CZ2 3.49Å; K71-W108 VanDerWaalsContact CG-CZ2 3.49Å; R75-W108 HydrophobicContact CB-CZ3 4.24Å; R75-W108 HydrophobicContact CG-CZ3 4.31Å; F96-W108 HydrophobicContact CD1-CE3 4.28Å; F96-W108 HydrophobicContact CD1-CZ3 4.25Å; F96-W108 HydrophobicContact CD2-CE3 4.38Å; F96-W108 AromaticContact CE1-CE3 3.81Å; F96-W108 HydrophobicContact CE1-CE3 3.81Å; F96-W108 AromaticContact CE1-CZ3 3.89Å; F96-W108 HydrophobicContact CE1-CZ3 3.89Å; F96-W108 HydrophobicContact CE2-CB 4.24Å; F96-W108 AromaticContact CE2-CE3 3.89Å; F96-W108 HydrophobicContact CE2-CE3 3.89Å; F96-W108 HydrophobicContact CZ-CD2 4.33Å; F96-W108 AromaticContact CZ-CE3 3.61Å; F96-W108 HydrophobicContact CZ-CE3 3.61Å; F96-W108 HydrophobicContact CZ-CZ3 4.16Å; E97-W108 CarbonylContact O-C 3.4Å; E97-W108 WeakPolarHBondContact O-CA 3.4Å; E105-W108 PolarHBondContact O-NE1 3.28Å
109Q92.8Very high83.4Confident11 Ų1146.3 Ų46.35%0.05122%0.221CC..EExtended strand (participates in β ladder)trans-130130.5-179.5-176.2173-60.800110.4P51 T53 F96 E97 L99 S111P51-Q109 HydrophobicContact CB-CG 3.65Å; P51-Q109 HydrophobicContact CG-CG 4Å; T53-Q109 HydrophobicContact CG2-CB 4.01Å; T53-Q109 HydrophobicContact CG2-CG 3.78Å; F96-Q109 WeakPolarHBondContact CA-O 3.21Å; E97-Q109 PolarHBondContact N-O 2.68Å; E97-Q109 PolarHBondContact O-N 3.29Å; L99-Q109 HydrophobicContact CD2-CB 3.92Å; L99-Q109 HydrophobicContact CG-CB 4.17Å; Q109-S111 PolarHBondContact NE2-OG 2.95Å
110L90.1Very high82.8Confident4 Ų447.5 Ų47.52%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-111109.7168.6-179.373.2000109.1I52 I78 T95 F96 V112 L123 L126I52-L110 HydrophobicContact CB-CB 4.26Å; I52-L110 HydrophobicContact CD1-CD2 4.33Å; I52-L110 PolarHBondContact N-O 3.17Å; I52-L110 PolarHBondContact O-N 3.11Å; I78-L110 HydrophobicContact CD1-CD1 4.41Å; T95-L110 CarbonylContact O-C 3.56Å; T95-L110 VanDerWaalsContact O-CA 3.29Å; T95-L110 WeakPolarHBondContact O-CA 3.44Å; F96-L110 HydrophobicContact CB-CD1 3.75Å; F96-L110 HydrophobicContact CD2-CB 3.93Å; F96-L110 HydrophobicContact CD2-CD1 3.94Å; F96-L110 HydrophobicContact CG-CD1 4.14Å; L110-V112 HydrophobicContact CD1-CG1 3.8Å; L110-V112 HydrophobicContact CD1-CG2 4.3Å; L110-V112 HydrophobicContact CD2-CG2 3.63Å; L110-V112 HydrophobicContact CG-CB 4.42Å; L110-V112 HydrophobicContact CG-CG1 4.02Å; L110-V112 HydrophobicContact CG-CG2 3.67Å; L110-V112 PolarHBondContact O-N 3.04Å; L110-L123 HydrophobicContact CD1-CD2 4.35Å; L110-L123 HydrophobicContact CD2-CD2 4.38Å; L110-L126 HydrophobicContact CD1-CD2 4.34Å; L110-L126 HydrophobicContact CD2-CD2 3.72Å
111S85.9Confident82.6Confident21 Ų2149.3 Ų49.315%0.14723%0.232CC..EExtended strand (participates in β ladder)trans-97.267.2-178.2-49.70000110.8G94 T95 Q109G94-S111 WeakPolarHBondContact CA-O 3.49Å; T95-S111 PolarHBondContact N-O 3.47Å; T95-S111 PolarHBondContact O-N 3.18Å; T95-S111 VanDerWaalsContact OG1-CB 3.28Å; T95-S111 WeakPolarHBondContact OG1-CB 3.36Å; T95-S111 PolarHBondContact OG1-OG 3.09Å; Q109-S111 PolarHBondContact NE2-OG 2.95Å
112V80.4Confident82.3Confident20 Ų2052.6 Ų52.612%0.12125%0.248CC..  trans-122.4151.2178.2-61.40000111L110 A116 V117L110-V112 HydrophobicContact CD1-CG1 3.8Å; L110-V112 HydrophobicContact CD1-CG2 4.3Å; L110-V112 HydrophobicContact CD2-CG2 3.63Å; L110-V112 HydrophobicContact CG-CB 4.42Å; L110-V112 HydrophobicContact CG-CG1 4.02Å; L110-V112 HydrophobicContact CG-CG2 3.67Å; L110-V112 PolarHBondContact O-N 3.04Å; V112-A116 HydrophobicContact CB-CB 4.49Å; V112-V117 HydrophobicContact CG2-CG2 3.34Å
113S73.2Confident81.9Confident35 Ų3552.1 Ų52.125%0.24525%0.247CC..  trans-65.7147.2172.279.60000110.3Y115 A116 V117S113-Y115 PolarHBondContact O-N 2.83Å; S113-Y115 VanDerWaalsContact O-N 3.09Å; S113-A116 WeakPolarHBondContact O-CB 3.31Å; S113-A116 PolarHBondContact O-N 3.4Å; S113-A116 VanDerWaalsContact O-N 3.09Å; S113-A116 PolarHBondContact OG-N 2.88Å; S113-V117 PolarHBondContact O-N 3.25Å
114K71.4Confident81.7Confident123 Ų12355 Ų5554%0.53525%0.254SS..Hα-helixtrans-57.9-25.4175.3-69.8179.7-173.9131.70112.8D49D49-K114 VanDerWaalsContact CG-NZ 3.33Å; D49-K114 IonicContact OD1-NZ 2.74Å; D49-K114 WeakPolarHBondContact OD2-CD 3.32Å; D49-K114 WeakPolarHBondContact OD2-CE 3.4Å; D49-K114 IonicContact OD2-NZ 3.44Å; D49-K114 PolarHBondContact OD2-NZ 2.56Å
115Y68.5Low81.8Confident139 Ų13952.2 Ų52.255%0.54524%0.241SC..Hα-helixtrans-72.1-44.3177.4-177.7-105.9000111.4S113 V117 R118 K119S113-Y115 PolarHBondContact O-N 2.83Å; S113-Y115 VanDerWaalsContact O-N 3.09Å; Y115-V117 PolarHBondContact O-N 3.29Å; Y115-R118 PolarHBondContact O-N 2.89Å; Y115-K119 HydrophobicContact CD1-CD 4.38Å; Y115-K119 HydrophobicContact CE1-CD 3.77Å; Y115-K119 VanDerWaalsContact CE1-NZ 3.27Å; Y115-K119 WeakPolarHBondContact OH-CE 3.12Å; Y115-K119 PolarHBondContact OH-NZ 2.9Å
116A71.5Confident81.7Confident11 Ų1150.1 Ų50.19%0.09123%0.231CC..Hα-helixtrans-58.5-44.2176.600000112.6M85 V112 S113 R118 K119 L123M85-A116 HydrophobicContact CE-CB 3.51Å; V112-A116 HydrophobicContact CB-CB 4.49Å; S113-A116 WeakPolarHBondContact O-CB 3.31Å; S113-A116 PolarHBondContact O-N 3.4Å; S113-A116 VanDerWaalsContact O-N 3.09Å; S113-A116 PolarHBondContact OG-N 2.88Å; A116-R118 PolarHBondContact O-N 3.44Å; A116-K119 PolarHBondContact O-N 2.98Å; A116-L123 HydrophobicContact CB-CD1 4.35Å
117V70.8Confident81.5Confident10 Ų1053.7 Ų53.76%0.06125%0.247CC..Hα-helixtrans-54.3-33.1178.8-1780000112.6I52 V112 S113 Y115 L123 Q127I52-V117 HydrophobicContact CD1-CG2 4.33Å; V112-V117 HydrophobicContact CG2-CG2 3.34Å; S113-V117 PolarHBondContact O-N 3.25Å; Y115-V117 PolarHBondContact O-N 3.29Å; V117-L123 HydrophobicContact CG1-CB 4.43Å; V117-Q127 HydrophobicContact CG1-CB 4.17Å; V117-Q127 HydrophobicContact CG1-CG 4.46Å
118R71.9Confident81.2Confident175 Ų17558.2 Ų58.266%0.6627%0.268SS*.Hα-helixtrans-83.1-17.7-176.8-66.9178.7-175.6159.9-0.1113.8Y115 A116 R124Y115-R118 PolarHBondContact O-N 2.89Å; A116-R118 PolarHBondContact O-N 3.44Å; R118-R124 VanDerWaalsContact O-CZ 3.25Å; R118-R124 PolarHBondContact O-NE 2.85Å; R118-R124 PolarHBondContact O-NH2 3.06Å
119K74.2Confident81Confident114 Ų11458.3 Ų58.350%0.49627%0.269SS..Hα-helixtrans-90.2-36.8-174.8-83.4-169.2165.2179.30113.1Y115 A116 R124Y115-K119 HydrophobicContact CD1-CD 4.38Å; Y115-K119 HydrophobicContact CE1-CD 3.77Å; Y115-K119 VanDerWaalsContact CE1-NZ 3.27Å; Y115-K119 WeakPolarHBondContact OH-CE 3.12Å; Y115-K119 PolarHBondContact OH-NZ 2.9Å; A116-K119 PolarHBondContact O-N 2.98Å; K119-R124 PolarHBondContact O-NH2 3.45Å
120T80.2Confident81Confident37 Ų3758.1 Ų58.123%0.22727%0.268CS..  trans-102.4135.9-168.9-35.20000111.6M81 E122 L123 R124M81-T120 HydrophobicContact CE-CG2 3.19Å; M81-T120 HydrophobicContact SD-CG2 4.02Å; T120-E122 WeakPolarHBondContact CG2-OE2 3.49Å; T120-E122 PolarHBondContact O-N 3.33Å; T120-L123 PolarHBondContact O-N 3.27Å; T120-R124 WeakPolarHBondContact O-CG 3.26Å; T120-R124 PolarHBondContact O-N 3.23Å
121E82.7Confident81Confident100 Ų10060.5 Ų60.547%0.46728%0.283SS..Hα-helixtrans-68.8-35.9-172.2-171.854.7-14800112.5L123 R124 T125E121-L123 PolarHBondContact O-N 3.22Å; E121-R124 WeakPolarHBondContact O-CB 3.44Å; E121-R124 PolarHBondContact O-N 3.33Å; E121-R124 IonicContact OE2-CZ 3.38Å; E121-R124 IonicContact OE2-NH1 3.98Å; E121-R124 PolarHBondContact OE2-NH1 3.25Å; E121-T125 WeakPolarHBondContact O-CB 3.45Å; E121-T125 PolarHBondContact O-N 3.44Å; E121-T125 PolarHBondContact O-OG1 3.19Å
122E81.7Confident81.3Confident87 Ų8759.7 Ų59.741%0.40728%0.277SS..Hα-helixtrans-63.6-42.5176.7-61.476.7-172.900110.7M81 T120 T125 L126M81-E122 HydrophobicContact SD-CB 3.49Å; M81-E122 WeakPolarHBondContact SD-CB 3.34Å; M81-E122 HydrophobicContact SD-CG 3.92Å; T120-E122 WeakPolarHBondContact CG2-OE2 3.49Å; T120-E122 PolarHBondContact O-N 3.33Å; E122-T125 PolarHBondContact O-N 2.88Å; E122-L126 WeakPolarHBondContact O-CB 3.42Å; E122-L126 PolarHBondContact O-N 2.93Å
123L83.4Confident81.9Confident3 Ų358.7 Ų58.72%0.01627%0.271CS..Hα-helixtrans-70.1-34.6175.7-67.9176.4000112.2M81 M85 L110 A116 V117 T120 E121 Q127M81-L123 HydrophobicContact CE-CD1 4.09Å; M81-L123 HydrophobicContact CE-CG 3.96Å; M85-L123 HydrophobicContact SD-CD1 4.45Å; L110-L123 HydrophobicContact CD1-CD2 4.35Å; L110-L123 HydrophobicContact CD2-CD2 4.38Å; A116-L123 HydrophobicContact CB-CD1 4.35Å; V117-L123 HydrophobicContact CG1-CB 4.43Å; T120-L123 PolarHBondContact O-N 3.27Å; E121-L123 PolarHBondContact O-N 3.22Å; L123-Q127 VanDerWaalsContact O-CB 3.31Å; L123-Q127 WeakPolarHBondContact O-CB 3.46Å; L123-Q127 PolarHBondContact O-N 3.22Å
124R83.7Confident82.8Confident90 Ų9057.7 Ų57.734%0.3426%0.264SS..Hα-helixtrans-65.3-42.9171.3-69.8-175.7-158120.34111R118 K119 T120 E121 Q127 Q128R118-R124 VanDerWaalsContact O-CZ 3.25Å; R118-R124 PolarHBondContact O-NE 2.85Å; R118-R124 PolarHBondContact O-NH2 3.06Å; K119-R124 PolarHBondContact O-NH2 3.45Å; T120-R124 WeakPolarHBondContact O-CG 3.26Å; T120-R124 PolarHBondContact O-N 3.23Å; E121-R124 WeakPolarHBondContact O-CB 3.44Å; E121-R124 PolarHBondContact O-N 3.33Å; E121-R124 IonicContact OE2-CZ 3.38Å; E121-R124 IonicContact OE2-NH1 3.98Å; E121-R124 PolarHBondContact OE2-NH1 3.25Å; R124-Q127 WeakPolarHBondContact O-CB 3.35Å; R124-Q127 PolarHBondContact O-N 3.07Å; R124-Q128 WeakPolarHBondContact O-CG 3.46Å; R124-Q128 PolarHBondContact O-N 3.15Å
125T86.3Confident83.7Confident52 Ų5255.2 Ų55.232%0.31925%0.254SS..Hα-helixtrans-61.6-47.6177.3-60.40000110.7Y74 E121 E122 Q127 Q128 F129Y74-T125 HydrophobicContact CE1-CG2 4.33Å; E121-T125 WeakPolarHBondContact O-CB 3.45Å; E121-T125 PolarHBondContact O-N 3.44Å; E121-T125 PolarHBondContact O-OG1 3.19Å; E122-T125 PolarHBondContact O-N 2.88Å; T125-Q127 VanDerWaalsContact C-N 3.34Å; T125-Q127 PolarHBondContact O-N 3.38Å; T125-Q128 PolarHBondContact O-N 3.26Å; T125-F129 WeakPolarHBondContact O-CB 3.34Å; T125-F129 PolarHBondContact O-N 3.43Å
126L86.9Confident84.7Confident2 Ų249.2 Ų49.21%0.0123%0.232CC..Hα-helixtrans-58.5-45.4172.2177.170.9000111.3Y74 I78 F96 L110 E122 Q128 F129 L130Y74-L126 HydrophobicContact CD1-CB 4.15Å; Y74-L126 HydrophobicContact CD1-CD1 3.74Å; Y74-L126 HydrophobicContact CE1-CD1 4.35Å; Y74-L126 HydrophobicContact CG-CD1 3.83Å; I78-L126 HydrophobicContact CD1-CD2 3.7Å; F96-L126 HydrophobicContact CZ-CD1 4.47Å; L110-L126 HydrophobicContact CD1-CD2 4.34Å; L110-L126 HydrophobicContact CD2-CD2 3.72Å; E122-L126 WeakPolarHBondContact O-CB 3.42Å; E122-L126 PolarHBondContact O-N 2.93Å; L126-Q128 VanDerWaalsContact C-N 3.33Å; L126-Q128 PolarHBondContact O-N 3.38Å; L126-F129 HydrophobicContact CD1-CD1 4.14Å; L126-F129 WeakPolarHBondContact O-CB 3.4Å; L126-F129 PolarHBondContact O-N 3.43Å; L126-L130 HydrophobicContact CD1-CD1 4.4Å; L126-L130 HydrophobicContact CD1-CG 4.21Å; L126-L130 HydrophobicContact CG-CD1 4.1Å; L126-L130 HydrophobicContact CG-CG 4.28Å; L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.42Å
127Q86.6Confident85.5Confident93 Ų9348.9 Ų48.944%0.43523%0.23SC..Hα-helixtrans-60.1-44.6179.2-175.9-177.17.300111.4V117 L123 R124 T125 L130 V131V117-Q127 HydrophobicContact CG1-CB 4.17Å; V117-Q127 HydrophobicContact CG1-CG 4.46Å; L123-Q127 VanDerWaalsContact O-CB 3.31Å; L123-Q127 WeakPolarHBondContact O-CB 3.46Å; L123-Q127 PolarHBondContact O-N 3.22Å; R124-Q127 WeakPolarHBondContact O-CB 3.35Å; R124-Q127 PolarHBondContact O-N 3.07Å; T125-Q127 VanDerWaalsContact C-N 3.34Å; T125-Q127 PolarHBondContact O-N 3.38Å; Q127-L130 PolarHBondContact O-N 3.02Å; Q127-V131 VanDerWaalsContact O-CG2 3.28Å; Q127-V131 WeakPolarHBondContact O-CG2 3.33Å; Q127-V131 PolarHBondContact O-N 3.45Å
128Q88.9Confident86.5Confident95 Ų9548.7 Ų48.744%0.44423%0.228SC..Hα-helixtrans-63.8-43176.7-71.3175.611.600111.6R124 T125 L126 V131 S132R124-Q128 WeakPolarHBondContact O-CG 3.46Å; R124-Q128 PolarHBondContact O-N 3.15Å; T125-Q128 PolarHBondContact O-N 3.26Å; L126-Q128 VanDerWaalsContact C-N 3.33Å; L126-Q128 PolarHBondContact O-N 3.38Å; Q128-V131 PolarHBondContact O-N 3.16Å; Q128-S132 WeakPolarHBondContact O-CB 3.44Å; Q128-S132 PolarHBondContact O-N 2.79Å; Q128-S132 PolarHBondContact O-OG 2.73Å; Q128-S132 VanDerWaalsContact O-OG 3.11Å
129F90.8Very high87.6Confident2 Ų240.4 Ų40.41%0.00920%0.197CC..Hα-helixtrans-54.2-56.1171.7166.1-98.9000110.8L66 I70 Y74 T125 L126 V131 S132 E133 I139L66-F129 HydrophobicContact CD1-CE2 3.78Å; L66-F129 HydrophobicContact CD1-CZ 3.61Å; I70-F129 HydrophobicContact CD1-CE1 4.32Å; I70-F129 HydrophobicContact CD1-CZ 4.27Å; I70-F129 HydrophobicContact CG1-CE1 3.89Å; I70-F129 HydrophobicContact CG1-CZ 3.85Å; Y74-F129 HydrophobicContact CD2-CD1 4.45Å; Y74-F129 HydrophobicContact CD2-CE1 4.4Å; Y74-F129 HydrophobicContact CE1-CB 4.23Å; Y74-F129 HydrophobicContact CE1-CG 4.36Å; Y74-F129 AromaticContact CE2-CD1 3.93Å; Y74-F129 HydrophobicContact CE2-CD1 3.93Å; Y74-F129 AromaticContact CE2-CD2 3.84Å; Y74-F129 HydrophobicContact CE2-CD2 3.84Å; Y74-F129 HydrophobicContact CE2-CE1 4.03Å; Y74-F129 AromaticContact CE2-CE2 3.93Å; Y74-F129 HydrophobicContact CE2-CE2 3.93Å; Y74-F129 AromaticContact CE2-CG 3.83Å; Y74-F129 HydrophobicContact CE2-CG 3.83Å; Y74-F129 HydrophobicContact CE2-CZ 4.02Å; Y74-F129 AromaticContact CZ-CD2 3.8Å; Y74-F129 AromaticContact CZ-CG 3.6Å; Y74-F129 WeakPolarHBondContact OH-CB 3.17Å; Y74-F129 VanDerWaalsContact OH-CD2 3.26Å; Y74-F129 WeakPolarHBondContact OH-CD2 3.4Å; Y74-F129 WeakPolarHBondContact OH-CG 3.38Å; T125-F129 WeakPolarHBondContact O-CB 3.34Å; T125-F129 PolarHBondContact O-N 3.43Å; L126-F129 HydrophobicContact CD1-CD1 4.14Å; L126-F129 WeakPolarHBondContact O-CB 3.4Å; L126-F129 PolarHBondContact O-N 3.43Å; F129-V131 VanDerWaalsContact C-N 3.3Å; F129-V131 PolarHBondContact O-N 3.39Å; F129-S132 PolarHBondContact O-N 2.75Å; F129-S132 VanDerWaalsContact O-N 3.12Å; F129-S132 PolarHBondContact O-OG 3.33Å; F129-E133 HydrophobicContact CD2-CG 3.88Å; F129-E133 HydrophobicContact CE1-CG 4.36Å; F129-E133 HydrophobicContact CE2-CG 3.54Å; F129-E133 HydrophobicContact CG-CG 4.44Å; F129-E133 HydrophobicContact CZ-CG 3.81Å; F129-E133 WeakPolarHBondContact O-CG 3.28Å; F129-E133 PolarHBondContact O-N 3.39Å; F129-I139 HydrophobicContact CE1-CD1 3.83Å; F129-I139 HydrophobicContact CZ-CD1 4.08Å
130L91.5Very high88.5Confident7 Ų735.2 Ų35.24%0.03718%0.175CC..Hα-helixtrans-58.5-40.6-179.9-68.2178.3000112.4I52 F54 L126 Q127 T134 I139I52-L130 HydrophobicContact CG2-CD1 4.47Å; F54-L130 HydrophobicContact CD1-CD1 3.98Å; F54-L130 HydrophobicContact CD1-CD2 3.6Å; F54-L130 HydrophobicContact CD1-CG 4.46Å; F54-L130 HydrophobicContact CD2-CD2 3.96Å; F54-L130 HydrophobicContact CE1-CD1 3.99Å; F54-L130 HydrophobicContact CE1-CD2 3.49Å; F54-L130 VanDerWaalsContact CE1-CD2 3.49Å; F54-L130 HydrophobicContact CE1-CG 4.38Å; F54-L130 HydrophobicContact CE2-CD2 3.88Å; F54-L130 HydrophobicContact CG-CD2 3.83Å; F54-L130 HydrophobicContact CZ-CD2 3.64Å; L126-L130 HydrophobicContact CD1-CD1 4.4Å; L126-L130 HydrophobicContact CD1-CG 4.21Å; L126-L130 HydrophobicContact CG-CD1 4.1Å; L126-L130 HydrophobicContact CG-CG 4.28Å; L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 3.42Å; Q127-L130 PolarHBondContact O-N 3.02Å; L130-T134 WeakPolarHBondContact O-CB 3.43Å; L130-T134 PolarHBondContact O-N 3.21Å; L130-T134 PolarHBondContact O-OG1 3.02Å; L130-I139 HydrophobicContact CD2-CD1 3.97Å
131V91.2Very high89.1Confident54 Ų5439.2 Ų39.233%0.32719%0.186SC..Hα-helixtrans-63-50.9175.7169.60000110.4Q127 Q128 F129 E133 T134 E135Q127-V131 VanDerWaalsContact O-CG2 3.28Å; Q127-V131 WeakPolarHBondContact O-CG2 3.33Å; Q127-V131 PolarHBondContact O-N 3.45Å; Q128-V131 PolarHBondContact O-N 3.16Å; F129-V131 VanDerWaalsContact C-N 3.3Å; F129-V131 PolarHBondContact O-N 3.39Å; V131-E133 PolarHBondContact O-N 2.77Å; V131-T134 WeakPolarHBondContact O-CB 3.21Å; V131-T134 PolarHBondContact O-N 2.59Å; V131-E135 WeakPolarHBondContact O-CG 3.49Å; V131-E135 PolarHBondContact O-N 3.49Å
132S92Very high89.6Confident4 Ų435.1 Ų35.13%0.02817%0.167CC..Hα-helixtrans-62.9-43-17862.60000113.1Q128 F129 T134 E135 S136 R707Q128-S132 WeakPolarHBondContact O-CB 3.44Å; Q128-S132 PolarHBondContact O-N 2.79Å; Q128-S132 PolarHBondContact O-OG 2.73Å; Q128-S132 VanDerWaalsContact O-OG 3.11Å; F129-S132 PolarHBondContact O-N 2.75Å; F129-S132 VanDerWaalsContact O-N 3.12Å; F129-S132 PolarHBondContact O-OG 3.33Å; S132-T134 VanDerWaalsContact C-N 3.29Å; S132-T134 PolarHBondContact O-N 2.82Å; S132-E135 PolarHBondContact O-N 2.74Å; S132-S136 PolarHBondContact O-N 3.34Å; S132-S136 PolarHBondContact O-OG 2.78Å; S132-R707 VanDerWaalsContact OG-CZ 3.24Å; S132-R707 PolarHBondContact OG-NH1 3.18Å; S132-R707 PolarHBondContact OG-NH2 2.85Å
133E93Very high90.2Very high0 Ų033.4 Ų33.40%016%0.159CC..Hα-helixtrans-69.8-27.4176.7-66-54.4149.600112.7L66 F129 V131 S136 G137 N138 I139 H704 R707L66-E133 HydrophobicContact CD1-CG 4.34Å; F129-E133 HydrophobicContact CD2-CG 3.88Å; F129-E133 HydrophobicContact CE1-CG 4.36Å; F129-E133 HydrophobicContact CE2-CG 3.54Å; F129-E133 HydrophobicContact CG-CG 4.44Å; F129-E133 HydrophobicContact CZ-CG 3.81Å; F129-E133 WeakPolarHBondContact O-CG 3.28Å; F129-E133 PolarHBondContact O-N 3.39Å; V131-E133 PolarHBondContact O-N 2.77Å; E133-S136 WeakPolarHBondContact CA-OG 3.45Å; E133-S136 PolarHBondContact O-OG 3.36Å; E133-S136 VanDerWaalsContact O-OG 3.06Å; E133-S136 PolarHBondContact OE2-OG 3.29Å; E133-G137 PolarHBondContact O-N 2.87Å; E133-N138 PolarHBondContact O-N 3.02Å; E133-N138 WeakPolarHBondContact OE2-CB 3.44Å; E133-N138 PolarHBondContact OE2-ND2 2.95Å; E133-I139 HydrophobicContact CB-CB 3.9Å; E133-I139 HydrophobicContact CB-CD1 3.64Å; E133-I139 HydrophobicContact CB-CG1 3.76Å; E133-I139 HydrophobicContact CG-CD1 4.06Å; E133-I139 PolarHBondContact O-N 2.89Å; E133-I139 VanDerWaalsContact O-N 3.08Å; E133-H704 IonicContact OE1-ND1 2.78Å; E133-H704 IonicContact OE2-CE1 2.81Å; E133-H704 IonicContact OE2-CG 3.68Å; E133-H704 IonicContact OE2-ND1 3.17Å; E133-H704 PolarHBondContact OE2-ND1 3.4Å; E133-H704 VanDerWaalsContact OE2-ND1 3.11Å; E133-R707 WeakPolarHBondContact OE1-CD 3.38Å; E133-R707 IonicContact OE1-CZ 3.19Å; E133-R707 IonicContact OE1-NE 3.86Å; E133-R707 IonicContact OE1-NH1 3.67Å; E133-R707 PolarHBondContact OE1-NH1 3.2Å
134T92.2Very high90.7Very high14 Ų1433.6 Ų33.69%0.08616%0.161CC..Hα-helixtrans-68.8-40.3171.7-61.10000111.3L130 V131 S132 G137 I139 R141 R224L130-T134 WeakPolarHBondContact O-CB 3.43Å; L130-T134 PolarHBondContact O-N 3.21Å; L130-T134 PolarHBondContact O-OG1 3.02Å; V131-T134 WeakPolarHBondContact O-CB 3.21Å; V131-T134 PolarHBondContact O-N 2.59Å; S132-T134 VanDerWaalsContact C-N 3.29Å; S132-T134 PolarHBondContact O-N 2.82Å; T134-G137 PolarHBondContact O-N 3.13Å; T134-I139 WeakPolarHBondContact CA-O 3.5Å; T134-R141 HydrophobicContact CG2-CG 4.48Å; T134-R141 VanDerWaalsContact OG1-CD 3.3Å; T134-R141 WeakPolarHBondContact OG1-CD 3.42Å; T134-R141 WeakPolarHBondContact OG1-CG 3.48Å; T134-R224 WeakPolarHBondContact O-CD 3.47Å; T134-R224 PolarHBondContact O-NH1 2.85Å
135E89.8Confident91.3Very high71 Ų7129.4 Ų29.433%0.33215%0.145SC..Hα-helixtrans-71.1-32.2178.7-68.8-55.8129.400112.8V131 S132 R224 F700V131-E135 WeakPolarHBondContact O-CG 3.49Å; V131-E135 PolarHBondContact O-N 3.49Å; S132-E135 PolarHBondContact O-N 2.74Å; E135-R224 IonicContact OE1-CZ 3Å; E135-R224 IonicContact OE1-NH2 3.01Å; E135-R224 PolarHBondContact OE1-NH2 2.79Å; E135-R224 IonicContact OE2-CZ 2.86Å; E135-R224 IonicContact OE2-NH2 2.88Å; E135-R224 PolarHBondContact OE2-NH2 3Å; E135-F700 HydrophobicContact CB-CB 3.97Å; E135-F700 HydrophobicContact CB-CD1 4.07Å; E135-F700 HydrophobicContact CB-CD2 3.34Å; E135-F700 HydrophobicContact CB-CE1 4.4Å; E135-F700 HydrophobicContact CB-CE2 3.73Å; E135-F700 HydrophobicContact CB-CG 3.53Å; E135-F700 HydrophobicContact CB-CZ 4.24Å; E135-F700 HydrophobicContact CG-CD2 3.97Å; E135-F700 HydrophobicContact CG-CE1 4.35Å; E135-F700 HydrophobicContact CG-CE2 3.78Å; E135-F700 HydrophobicContact CG-CG 4.32Å; E135-F700 HydrophobicContact CG-CZ 3.99Å
136S88.8Confident91.7Very high13 Ų1327.6 Ų27.69%0.09114%0.135CC..Hα-helixtrans-78.8-14.1173.6620000114.3S132 E133 N138S132-S136 PolarHBondContact O-N 3.34Å; S132-S136 PolarHBondContact O-OG 2.78Å; E133-S136 WeakPolarHBondContact CA-OG 3.45Å; E133-S136 PolarHBondContact O-OG 3.36Å; E133-S136 VanDerWaalsContact O-OG 3.06Å; E133-S136 PolarHBondContact OE2-OG 3.29Å; S136-N138 PolarHBondContact OG-ND2 2.7Å
137G89.9Confident92.2Very high3 Ų327.5 Ų27.53%0.03113%0.134CC..THydrogen-bonded Turntrans87.48.4179.900000115.5T57 E133 T134T57-G137 PolarHBondContact OG1-O 2.86Å; E133-G137 PolarHBondContact O-N 2.87Å; T134-G137 PolarHBondContact O-N 3.13Å
138N92Very high92.6Very high7 Ų723.5 Ų23.54%0.03712%0.116CC..SBendtrans-85.8-19177.9-54.7-44.5000112.8T57 R60 L66 E133 S136 H704T57-N138 PolarHBondContact N-O 3.14Å; T57-N138 VanDerWaalsContact OG1-C 3.3Å; T57-N138 PolarHBondContact OG1-O 3.37Å; R60-N138 PolarHBondContact NH1-OD1 3.22Å; L66-N138 HydrophobicContact CD2-CB 3.59Å; E133-N138 PolarHBondContact O-N 3.02Å; E133-N138 WeakPolarHBondContact OE2-CB 3.44Å; E133-N138 PolarHBondContact OE2-ND2 2.95Å; S136-N138 PolarHBondContact OG-ND2 2.7Å; N138-H704 PolarHBondContact ND2-CD2 3.47Å; N138-H704 PolarHBondContact ND2-CE1 3.24Å; N138-H704 VanDerWaalsContact ND2-CE1 3.25Å; N138-H704 PolarHBondContact ND2-ND1 2.92Å; N138-H704 VanDerWaalsContact ND2-ND1 3.11Å; N138-H704 PolarHBondContact ND2-NE2 2.98Å
139I93.8Very high93Very high1 Ų119 Ų191%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-126.5140.1172.7-69.4-179.5000109.9F54 R55 L66 I70 F129 L130 E133 T134F54-I139 HydrophobicContact CB-CG2 3.7Å; F54-I139 HydrophobicContact CD2-CD1 4.11Å; F54-I139 HydrophobicContact CD2-CG2 3.68Å; F54-I139 HydrophobicContact CE2-CD1 4.14Å; F54-I139 HydrophobicContact CG-CG2 3.99Å; R55-I139 CarbonylContact O-C 3.58Å; R55-I139 VanDerWaalsContact O-CA 3.27Å; R55-I139 WeakPolarHBondContact O-CA 3.4Å; L66-I139 HydrophobicContact CD2-CD1 4.45Å; L66-I139 HydrophobicContact CD2-CG1 4.12Å; I70-I139 HydrophobicContact CD1-CD1 4.21Å; F129-I139 HydrophobicContact CE1-CD1 3.83Å; F129-I139 HydrophobicContact CZ-CD1 4.08Å; L130-I139 HydrophobicContact CD2-CD1 3.97Å; E133-I139 HydrophobicContact CB-CB 3.9Å; E133-I139 HydrophobicContact CB-CD1 3.64Å; E133-I139 HydrophobicContact CB-CG1 3.76Å; E133-I139 HydrophobicContact CG-CD1 4.06Å; E133-I139 PolarHBondContact O-N 2.89Å; E133-I139 VanDerWaalsContact O-N 3.08Å; T134-I139 WeakPolarHBondContact CA-O 3.5Å
140S93.4Very high93.3Very high5 Ų518.9 Ų18.94%0.0359%0.094CC..EExtended strand (participates in β ladder)trans-111.8112.2170.1-80.40000110.1F54 R55 Q142F54-S140 CarbonylContact C-O 3.59Å; F54-S140 WeakPolarHBondContact CA-O 3.07Å; R55-S140 PolarHBondContact N-O 3.15Å; R55-S140 PolarHBondContact O-N 3.35Å; S140-Q142 PolarHBondContact O-N 3.45Å
141R92.5Very high93.4Very high121 Ų12119.5 Ų19.546%0.45710%0.098SC..EExtended strand (participates in β ladder)trans-78.8116.2171.2-70.7174.762.5-168.1-1.1109.8F54 T134F54-R141 HydrophobicContact CB-CG 4.11Å; T134-R141 HydrophobicContact CG2-CG 4.48Å; T134-R141 VanDerWaalsContact OG1-CD 3.3Å; T134-R141 WeakPolarHBondContact OG1-CD 3.42Å; T134-R141 WeakPolarHBondContact OG1-CG 3.48Å
142Q93.5Very high93.6Very high13 Ų1317.1 Ų17.16%0.0618%0.083CC..  trans-156.8151.8-178.565.4-179.316.900110.5T53 S140 M147T53-Q142 CarbonylContact C-O 3.6Å; T53-Q142 WeakPolarHBondContact CB-O 3.5Å; T53-Q142 PolarHBondContact O-N 2.86Å; T53-Q142 PolarHBondContact OG1-O 2.9Å; S140-Q142 PolarHBondContact O-N 3.45Å; Q142-M147 HydrophobicContact CG-CE 3.64Å; Q142-M147 HydrophobicContact CG-CG 3.87Å; Q142-M147 HydrophobicContact CG-SD 4.17Å; Q142-M147 VanDerWaalsContact O-CE 3.25Å; Q142-M147 WeakPolarHBondContact O-CE 3.31Å
143E94.1Very high93.9Very high51 Ų5116.9 Ų16.924%0.2388%0.082CC..  trans-64.2141175.9-75.7161-13000112.1L50 T53 V145 S146 M147 K280L50-E143 HydrophobicContact CD1-CG 4.08Å; T53-E143 WeakPolarHBondContact OG1-CA 3.31Å; E143-V145 VanDerWaalsContact C-N 3.33Å; E143-V145 HydrophobicContact CB-CG2 4.47Å; E143-V145 PolarHBondContact O-N 3.36Å; E143-S146 WeakPolarHBondContact O-CB 3.42Å; E143-S146 PolarHBondContact O-N 3.12Å; E143-M147 WeakPolarHBondContact O-CG 3.34Å; E143-M147 PolarHBondContact O-N 3.46Å; E143-K280 WeakPolarHBondContact OE1-CD 3.31Å; E143-K280 VanDerWaalsContact OE1-CE 3.32Å; E143-K280 WeakPolarHBondContact OE1-CE 3.21Å; E143-K280 IonicContact OE1-NZ 2.72Å; E143-K280 PolarHBondContact OE1-NZ 3.4Å; E143-K280 IonicContact OE2-NZ 3.17Å; E143-K280 PolarHBondContact OE2-NZ 3.26Å
144A94.6Very high93.9Very high7 Ų719.7 Ų19.76%0.05810%0.096CC..G310 helixtrans-48.2-48.7177.900000113.6T53 L99 W101 S146 M147 T438T53-A144 HydrophobicContact CG2-CB 4.28Å; T53-A144 PolarHBondContact OG1-N 3.43Å; L99-A144 HydrophobicContact CD1-CB 4.41Å; W101-A144 WeakPolarHBondContact CH2-O 3.34Å; W101-A144 HydrophobicContact CZ2-CB 4.02Å; A144-S146 VanDerWaalsContact C-N 3.26Å; A144-S146 PolarHBondContact O-N 3.49Å; A144-M147 WeakPolarHBondContact O-CB 3.27Å; A144-M147 VanDerWaalsContact O-CG 3.26Å; A144-M147 WeakPolarHBondContact O-CG 3.3Å; A144-M147 PolarHBondContact O-N 2.94Å; A144-T438 HydrophobicContact CB-CG2 4.13Å
145V95.4Very high94.1Very high2 Ų219.5 Ų19.51%0.01210%0.095CC..G310 helixtrans-66.5-28.2-179.7-64.50000113.2E143 M147 L148 F377 V431 T438 F441E143-V145 VanDerWaalsContact C-N 3.33Å; E143-V145 HydrophobicContact CB-CG2 4.47Å; E143-V145 PolarHBondContact O-N 3.36Å; V145-M147 PolarHBondContact O-N 2.97Å; V145-L148 PolarHBondContact O-N 3.26Å; V145-F377 HydrophobicContact CG1-CZ 4.14Å; V145-V431 HydrophobicContact CG1-CB 4.25Å; V145-V431 HydrophobicContact CG1-CG1 3.77Å; V145-V431 HydrophobicContact CG1-CG2 4.43Å; V145-T438 HydrophobicContact CG1-CG2 4.31Å; V145-F441 HydrophobicContact CB-CB 3.76Å; V145-F441 HydrophobicContact CB-CD1 4.29Å; V145-F441 HydrophobicContact CB-CD2 4.13Å; V145-F441 HydrophobicContact CB-CG 3.8Å; V145-F441 HydrophobicContact CG1-CB 4.06Å; V145-F441 HydrophobicContact CG2-CB 4.09Å; V145-F441 HydrophobicContact CG2-CD2 3.85Å; V145-F441 HydrophobicContact CG2-CG 4.04Å
146S95.5Very high94.4Very high14 Ų1420.8 Ų20.810%0.09810%0.097CC..G310 helixtrans-74.2-12176.8-69.20000112.6E143 A144 P149 K171E143-S146 WeakPolarHBondContact O-CB 3.42Å; E143-S146 PolarHBondContact O-N 3.12Å; A144-S146 VanDerWaalsContact C-N 3.26Å; A144-S146 PolarHBondContact O-N 3.49Å; S146-P149 WeakPolarHBondContact O-CD 3.39Å; S146-K171 PolarHBondContact OG-NZ 2.99Å
147M95.9Very high94.7Very high0 Ų021 Ų210%010%0.099CC..G310 helixtrans-81.4-18.2176.8-36.4-163.5-17900113.1L99 W101 Y102 A107 Q142 E143 A144 V145 L151 Q174L99-M147 HydrophobicContact CD1-CE 4.44Å; W101-M147 HydrophobicContact CH2-CB 4.1Å; W101-M147 HydrophobicContact CH2-CG 4.37Å; W101-M147 HydrophobicContact CH2-SD 4.35Å; W101-M147 HydrophobicContact CZ3-CB 4.49Å; Y102-M147 HydrophobicContact CD2-CB 4.25Å; Y102-M147 HydrophobicContact CD2-SD 3.9Å; Y102-M147 HydrophobicContact CE2-CB 3.87Å; Y102-M147 HydrophobicContact CE2-SD 3.91Å; A107-M147 HydrophobicContact CB-CE 4.26Å; A107-M147 HydrophobicContact CB-SD 3.8Å; Q142-M147 HydrophobicContact CG-CE 3.64Å; Q142-M147 HydrophobicContact CG-CG 3.87Å; Q142-M147 HydrophobicContact CG-SD 4.17Å; Q142-M147 VanDerWaalsContact O-CE 3.25Å; Q142-M147 WeakPolarHBondContact O-CE 3.31Å; E143-M147 WeakPolarHBondContact O-CG 3.34Å; E143-M147 PolarHBondContact O-N 3.46Å; A144-M147 WeakPolarHBondContact O-CB 3.27Å; A144-M147 VanDerWaalsContact O-CG 3.26Å; A144-M147 WeakPolarHBondContact O-CG 3.3Å; A144-M147 PolarHBondContact O-N 2.94Å; V145-M147 PolarHBondContact O-N 2.97Å; M147-L151 WeakPolarHBondContact O-CG 3.41Å; M147-Q174 PolarHBondContact O-NE2 2.7Å
148L95.2Very high95Very high9 Ų925.6 Ų25.65%0.04712%0.119CC..Hα-helixtrans-69.4-47.5-174.7-60.2167.7000113.7W101 V145 L151 L152 F377 F379 V431W101-L148 HydrophobicContact CE3-CD2 4.17Å; W101-L148 HydrophobicContact CH2-CD2 4.31Å; W101-L148 HydrophobicContact CZ3-CD2 3.78Å; V145-L148 PolarHBondContact O-N 3.26Å; L148-L151 PolarHBondContact O-N 3.39Å; L148-L151 VanDerWaalsContact O-N 3.13Å; L148-L152 HydrophobicContact CB-CD1 4.17Å; L148-L152 WeakPolarHBondContact O-CD1 3.44Å; L148-L152 WeakPolarHBondContact O-CG 3.33Å; L148-L152 PolarHBondContact O-N 2.77Å; L148-F377 HydrophobicContact CD1-CD1 4.24Å; L148-F377 HydrophobicContact CD1-CE1 3.69Å; L148-F377 HydrophobicContact CD1-CE2 4.18Å; L148-F377 HydrophobicContact CD1-CZ 3.67Å; L148-F377 HydrophobicContact CD2-CD1 4.45Å; L148-F377 HydrophobicContact CD2-CD2 4.01Å; L148-F377 HydrophobicContact CD2-CE2 4.16Å; L148-F377 HydrophobicContact CD2-CG 4.16Å; L148-F377 HydrophobicContact CD2-CZ 4.44Å; L148-F377 HydrophobicContact CG-CE2 4.48Å; L148-F377 HydrophobicContact CG-CZ 4.43Å; L148-F379 HydrophobicContact CD1-CE1 3.78Å; L148-F379 HydrophobicContact CD1-CZ 3.89Å; L148-F379 HydrophobicContact CD2-CZ 4.14Å; L148-V431 HydrophobicContact CD1-CG2 4.32Å
149P97.2Very high95.2Very high0 Ų025.3 Ų25.30%012%0.118CC..Hα-helixtrans-59.3-44.1-172.2-20.330.5000114.4S146 L151 L152 L153 K171 L267 V325 F441 I443S146-P149 WeakPolarHBondContact O-CD 3.39Å; P149-L151 VanDerWaalsContact C-N 3.34Å; P149-L151 PolarHBondContact O-N 3.16Å; P149-L152 PolarHBondContact O-N 3.05Å; P149-L153 PolarHBondContact O-N 3.17Å; P149-K171 HydrophobicContact CB-CD 4.32Å; P149-K171 HydrophobicContact CG-CD 4.12Å; P149-L267 HydrophobicContact CB-CD1 3.49Å; P149-L267 VanDerWaalsContact CB-CD1 3.49Å; P149-V325 HydrophobicContact CB-CG1 3.76Å; P149-F441 HydrophobicContact CG-CE1 3.74Å; P149-F441 HydrophobicContact CG-CZ 3.94Å; P149-I443 HydrophobicContact CB-CD1 3.94Å; P149-I443 HydrophobicContact CG-CD1 3.85Å
150P97.1Very high95.5Very high0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-62.4-37.9175.6-27.538.9000113.9L153 K171 Q174 L175 L178P150-L153 PolarHBondContact O-N 3.28Å; P150-K171 HydrophobicContact CG-CB 3.87Å; P150-K171 HydrophobicContact CG-CG 4.21Å; P150-Q174 HydrophobicContact CB-CB 4.13Å; P150-Q174 HydrophobicContact CB-CG 3.81Å; P150-Q174 HydrophobicContact CG-CB 4.09Å; P150-Q174 HydrophobicContact CG-CG 4.15Å; P150-L175 HydrophobicContact CB-CD2 3.76Å; P150-L175 HydrophobicContact CB-CG 4.02Å; P150-L175 HydrophobicContact CG-CD2 4.5Å; P150-L175 HydrophobicContact CG-CG 4.36Å; P150-L178 HydrophobicContact CB-CD1 3.96Å; P150-L178 WeakPolarHBondContact O-CD1 3.2Å
151L94.8Very high95.7Very high21 Ų2125.5 Ų25.511%0.1112%0.119CC..Hα-helixtrans-66.1-39.5178.5-68.3175.9000111.8W101 Y102 P103 M147 L148 P149 L153 D154 L178 I358W101-L151 HydrophobicContact CZ3-CD1 4.24Å; Y102-L151 HydrophobicContact CD2-CD1 3.92Å; Y102-L151 HydrophobicContact CE2-CD1 3.64Å; Y102-L151 HydrophobicContact CE2-CD2 4.34Å; Y102-L151 HydrophobicContact CE2-CG 4.28Å; P103-L151 HydrophobicContact CG-CD2 4.27Å; M147-L151 WeakPolarHBondContact O-CG 3.41Å; L148-L151 PolarHBondContact O-N 3.39Å; L148-L151 VanDerWaalsContact O-N 3.13Å; P149-L151 VanDerWaalsContact C-N 3.34Å; P149-L151 PolarHBondContact O-N 3.16Å; L151-L153 PolarHBondContact O-N 2.93Å; L151-D154 PolarHBondContact O-N 3.14Å; L151-D154 VanDerWaalsContact O-N 3.14Å; L151-L178 HydrophobicContact CD2-CD1 4.41Å; L151-L178 HydrophobicContact CD2-CD2 4.1Å; L151-I358 HydrophobicContact CB-CD1 3.94Å; L151-I358 HydrophobicContact CD1-CD1 4.16Å; L151-I358 HydrophobicContact CG-CD1 4.46Å
152L95.7Very high96Very high3 Ų319.8 Ų19.82%0.01610%0.097CC..Hα-helixtrans-71-16.8-177.9-69.9163.5000113.4L148 P149 D154 R323 V325 P356 I358 L359 I443 V445L148-L152 HydrophobicContact CB-CD1 4.17Å; L148-L152 WeakPolarHBondContact O-CD1 3.44Å; L148-L152 WeakPolarHBondContact O-CG 3.33Å; L148-L152 PolarHBondContact O-N 2.77Å; P149-L152 PolarHBondContact O-N 3.05Å; L152-D154 PolarHBondContact O-N 3.41Å; L152-R323 WeakPolarHBondContact O-CD 3.49Å; L152-R323 PolarHBondContact O-NH1 3.07Å; L152-R323 VanDerWaalsContact O-NH1 3.11Å; L152-V325 HydrophobicContact CB-CG2 4.02Å; L152-P356 HydrophobicContact CD2-CB 3.96Å; L152-P356 HydrophobicContact CD2-CG 3.83Å; L152-I358 HydrophobicContact CD2-CG2 3.36Å; L152-I358 HydrophobicContact CG-CG2 4.26Å; L152-L359 HydrophobicContact CD1-CD2 4.11Å; L152-L359 HydrophobicContact CD2-CD1 4.13Å; L152-L359 HydrophobicContact CD2-CD2 3.55Å; L152-L359 HydrophobicContact CD2-CG 3.59Å; L152-L359 HydrophobicContact CG-CD2 4.43Å; L152-I443 HydrophobicContact CD1-CD1 3.23Å; L152-I443 HydrophobicContact CD1-CG1 3.9Å; L152-I443 HydrophobicContact CD1-CG2 4.44Å; L152-V445 HydrophobicContact CB-CG2 4.06Å; L152-V445 HydrophobicContact CD1-CG2 4.28Å; L152-V445 HydrophobicContact CD2-CG2 4.36Å; L152-V445 HydrophobicContact CG-CG2 4.47Å
153L96.6Very high96.3Very high0 Ų019.2 Ų19.20%09%0.094CC..THydrogen-bonded Turntrans-70.1-16.6171.7-77.5171.6000113P149 P150 L151 V155 L175 R265 L267 R323 V325P149-L153 PolarHBondContact O-N 3.17Å; P150-L153 PolarHBondContact O-N 3.28Å; L151-L153 PolarHBondContact O-N 2.93Å; L153-V155 HydrophobicContact CB-CG2 4.02Å; L153-L175 HydrophobicContact CD1-CD2 3.73Å; L153-R265 HydrophobicContact CB-CG 4.48Å; L153-R265 HydrophobicContact CD1-CB 4.43Å; L153-R265 HydrophobicContact CD2-CB 4.06Å; L153-R265 WeakPolarHBondContact O-CD 3.49Å; L153-R265 PolarHBondContact O-NE 2.9Å; L153-L267 HydrophobicContact CD1-CB 3.96Å; L153-R323 HydrophobicContact CD2-CG 4.38Å; L153-V325 HydrophobicContact CD2-CB 4.06Å; L153-V325 HydrophobicContact CD2-CG2 3.6Å; L153-V325 HydrophobicContact CG-CB 4.17Å; L153-V325 HydrophobicContact CG-CG2 3.69Å
154D94Very high96.5Very high58 Ų5816.8 Ų16.831%0.318%0.083SC..  trans49.164.6-175.9-176.244.7000111.5L151 L152 R156 H159 R265L151-D154 PolarHBondContact O-N 3.14Å; L151-D154 VanDerWaalsContact O-N 3.14Å; L152-D154 PolarHBondContact O-N 3.41Å; D154-R156 IonicContact OD1-CZ 2.64Å; D154-R156 IonicContact OD1-NE 2.64Å; D154-R156 IonicContact OD1-NH2 3.19Å; D154-R156 PolarHBondContact OD1-NH2 3.3Å; D154-R156 IonicContact OD2-NE 3Å; D154-R156 IonicContact OD2-NH2 2.68Å; D154-H159 PolarHBondContact O-CE1 3.1Å; D154-R265 PolarHBondContact O-NE 2.83Å; D154-R265 PolarHBondContact O-NH2 2.95Å
155V95.8Very high96.7Very high11 Ų1117.2 Ų17.27%0.0679%0.085CC..  trans-73.6137.7-175.3169.80000110.7L153 I161 L175 L178 L179L153-V155 HydrophobicContact CB-CG2 4.02Å; V155-I161 HydrophobicContact CB-CD1 4.28Å; V155-I161 HydrophobicContact CG1-CD1 3.51Å; V155-I161 HydrophobicContact CG2-CD1 3.8Å; V155-L175 HydrophobicContact CG2-CD2 3.75Å; V155-L178 HydrophobicContact CB-CB 3.89Å; V155-L178 HydrophobicContact CB-CD1 4.45Å; V155-L178 HydrophobicContact CG1-CB 3.98Å; V155-L178 HydrophobicContact CG2-CB 4.49Å; V155-L178 HydrophobicContact CG2-CD1 4.37Å; V155-L179 HydrophobicContact CG1-CB 4.32Å; V155-L179 HydrophobicContact CG1-CD1 4.14Å
156R95.9Very high96.7Very high97 Ų9717.4 Ų17.437%0.3669%0.088SC..  trans-122.1152.9173.5-55.9-61.6171.5-174.3-4.2109.5D154 H158 H159 L179 D182D154-R156 IonicContact OD1-CZ 2.64Å; D154-R156 IonicContact OD1-NE 2.64Å; D154-R156 IonicContact OD1-NH2 3.19Å; D154-R156 PolarHBondContact OD1-NH2 3.3Å; D154-R156 IonicContact OD2-NE 3Å; D154-R156 IonicContact OD2-NH2 2.68Å; R156-H158 PolarHBondContact O-N 2.89Å; R156-H159 VanDerWaalsContact CG-CE1 3.4Å; R156-H159 WeakPolarHBondContact CG-CE1 3.27Å; R156-H159 PolarHBondContact N-ND1 3.13Å; R156-H159 WeakPolarHBondContact O-CB 2.89Å; R156-H159 PolarHBondContact O-N 3.4Å; R156-L179 WeakPolarHBondContact O-CD1 3.5Å; R156-D182 WeakPolarHBondContact CA-OD2 3.26Å; R156-D182 WeakPolarHBondContact CD-OD1 3.36Å; R156-D182 IonicContact NH1-OD1 3.42Å; R156-D182 PolarHBondContact NH1-OD1 3.18Å
157S95.4Very high96.6Very high18 Ų1817 Ų1713%0.1269%0.085CC..THydrogen-bonded Turntrans-54.9-25.1-175.646.90000115.1D182 P201 T202 G203S157-D182 WeakPolarHBondContact CB-OD2 3.27Å; S157-D182 PolarHBondContact N-OD2 3.02Å; S157-D182 PolarHBondContact OG-OD2 3.03Å; S157-P201 WeakPolarHBondContact O-CB 3.45Å; S157-T202 PolarHBondContact O-N 3.22Å; S157-G203 WeakPolarHBondContact O-CA 3.47Å; S157-G203 PolarHBondContact O-N 2.85Å
158H95.8Very high96.4Very high99 Ų9920.3 Ų20.346%0.45811%0.106SC..THydrogen-bonded Turntrans-96.9-2.8178.763.2-85.9000114.3R156 T202R156-H158 PolarHBondContact O-N 2.89Å; H158-T202 WeakPolarHBondContact CA-OG1 3.49Å; H158-T202 WeakPolarHBondContact CB-OG1 3.32Å
159H98.2Very high96.3Very high1 Ų119.9 Ų19.91%0.00510%0.104CC..  trans-70.5142.1-176.3-74.8164.4000112.7D154 R156 I161 G203 M204 D264 R265D154-H159 PolarHBondContact O-CE1 3.1Å; R156-H159 VanDerWaalsContact CG-CE1 3.4Å; R156-H159 WeakPolarHBondContact CG-CE1 3.27Å; R156-H159 PolarHBondContact N-ND1 3.13Å; R156-H159 WeakPolarHBondContact O-CB 2.89Å; R156-H159 PolarHBondContact O-N 3.4Å; H159-I161 HydrophobicContact CB-CD1 4.29Å; H159-I161 HydrophobicContact CB-CG1 3.94Å; H159-G203 CarbonylContact O-C 3.37Å; H159-G203 WeakPolarHBondContact O-CA 3.25Å; H159-M204 PolarHBondContact O-N 3.43Å; H159-D264 HydrophobicContact CB-CB 4.02Å; H159-R265 HydrophobicContact CB-CG 4.38Å; H159-R265 PolarHBondContact CE1-NE 2.63Å; H159-R265 PolarHBondContact CE1-NH2 2.63Å
160T98.5Very high96.1Very high11 Ų1121.2 Ų21.27%0.06711%0.113CC..EExtended strand (participates in β ladder)trans-91.5120.2163.757.40000109.5M204 L261 M262 F263 D264 R265 L558T160-M204 HydrophobicContact CG2-CE 4.33Å; T160-L261 HydrophobicContact CG2-CD1 4.07Å; T160-M262 PolarHBondContact OG1-O 2.96Å; T160-M262 VanDerWaalsContact OG1-O 3.14Å; T160-F263 WeakPolarHBondContact OG1-CA 3.42Å; T160-D264 PolarHBondContact N-OD2 2.82Å; T160-D264 PolarHBondContact O-N 3.1Å; T160-D264 PolarHBondContact OG1-N 2.76Å; T160-D264 PolarHBondContact OG1-OD2 2.83Å; T160-R265 PolarHBondContact O-N 2.78Å; T160-R265 VanDerWaalsContact O-N 3.16Å; T160-L558 HydrophobicContact CG2-CD2 3.67Å
161I98.8Very high96.1Very high0 Ų022 Ų220%012%0.117CC..EExtended strand (participates in β ladder)trans-123.1129.5-168-47.3177.2000109.5V155 H159 L175 L179 M204 V205 I206 R265V155-I161 HydrophobicContact CB-CD1 4.28Å; V155-I161 HydrophobicContact CG1-CD1 3.51Å; V155-I161 HydrophobicContact CG2-CD1 3.8Å; H159-I161 HydrophobicContact CB-CD1 4.29Å; H159-I161 HydrophobicContact CB-CG1 3.94Å; I161-L175 HydrophobicContact CG2-CD1 3.89Å; I161-L175 HydrophobicContact CG2-CD2 4.23Å; I161-L179 HydrophobicContact CD1-CD1 3.92Å; I161-M204 PolarHBondContact N-O 2.63Å; I161-V205 HydrophobicContact CB-CG2 4.29Å; I161-V205 HydrophobicContact CD1-CG2 4.12Å; I161-V205 WeakPolarHBondContact O-CA 3.36Å; I161-I206 PolarHBondContact O-N 2.83Å; I161-R265 CarbonylContact C-O 3.56Å; I161-R265 VanDerWaalsContact CA-O 3.31Å; I161-R265 WeakPolarHBondContact CA-O 3.36Å; I161-R265 HydrophobicContact CB-CB 4.37Å; I161-R265 HydrophobicContact CG1-CB 4.09Å; I161-R265 HydrophobicContact CG2-CB 4.01Å
162L98.8Very high96.2Very high0 Ų021 Ų210%011%0.112CC..EExtended strand (participates in β ladder)trans-115.7121.9173.4177.562.9000110.6L164 I206 F240 F263 R265 V266 L267 L310L162-L164 HydrophobicContact CD2-CD2 3.6Å; L162-L164 HydrophobicContact CD2-CG 4.09Å; L162-L164 HydrophobicContact CG-CD2 4.08Å; L162-L164 HydrophobicContact CG-CG 4.17Å; L162-I206 HydrophobicContact CD1-CB 3.94Å; L162-I206 HydrophobicContact CD1-CG2 3.85Å; L162-F240 HydrophobicContact CD1-CD1 4.44Å; L162-F240 HydrophobicContact CD1-CE1 3.97Å; L162-F240 HydrophobicContact CD1-CE2 4.13Å; L162-F240 HydrophobicContact CD1-CZ 3.8Å; L162-F240 HydrophobicContact CD2-CD1 4.02Å; L162-F240 HydrophobicContact CD2-CE1 4.18Å; L162-F240 HydrophobicContact CD2-CG 4.47Å; L162-F263 HydrophobicContact CB-CD1 3.62Å; L162-F263 HydrophobicContact CB-CD2 4.03Å; L162-F263 HydrophobicContact CB-CE1 3.71Å; L162-F263 HydrophobicContact CB-CE2 4.11Å; L162-F263 HydrophobicContact CB-CG 3.77Å; L162-F263 HydrophobicContact CB-CZ 3.95Å; L162-F263 HydrophobicContact CD1-CZ 4.32Å; L162-F263 HydrophobicContact CD2-CD2 4.03Å; L162-F263 HydrophobicContact CD2-CE2 3.76Å; L162-F263 HydrophobicContact CD2-CZ 4.12Å; L162-F263 HydrophobicContact CG-CE2 4.44Å; L162-F263 HydrophobicContact CG-CZ 4.36Å; L162-R265 PolarHBondContact N-O 2.81Å; L162-V266 HydrophobicContact CB-CG2 4.33Å; L162-V266 CarbonylContact O-C 3.59Å; L162-V266 VanDerWaalsContact O-CA 3.3Å; L162-V266 WeakPolarHBondContact O-CA 3.41Å; L162-L267 PolarHBondContact O-N 2.96Å; L162-L310 HydrophobicContact CD2-CD1 3.63Å
163D98.7Very high96.2Very high1 Ų120.9 Ų20.91%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-101.5106.8166.5-174.8-6.1000108.8C165 A166 S172 L175 I206 N208 L267D163-C165 PolarHBondContact O-N 2.68Å; D163-C165 PolarHBondContact OD1-N 2.9Å; D163-A166 HydrophobicContact CB-CB 4Å; D163-A166 VanDerWaalsContact CG-CA 3.48Å; D163-A166 VanDerWaalsContact CG-CB 3.46Å; D163-A166 WeakPolarHBondContact OD1-CA 3.44Å; D163-A166 WeakPolarHBondContact OD2-CA 3.34Å; D163-A166 WeakPolarHBondContact OD2-CB 3.45Å; D163-S172 PolarHBondContact OD2-OG 3.32Å; D163-L175 HydrophobicContact CB-CD1 4.33Å; D163-I206 PolarHBondContact N-O 2.91Å; D163-N208 WeakPolarHBondContact O-CB 3.48Å; D163-N208 PolarHBondContact O-N 2.08Å; D163-L267 HydrophobicContact CB-CB 4.37Å
164L98.7Very high96.2Very high0 Ų020.9 Ų20.90%011%0.111CC..THydrogen-bonded Turntrans-71.4-29.3-170-77.2166000113.4L162 N208 A237 F240 V266 L267 A268 I303L162-L164 HydrophobicContact CD2-CD2 3.6Å; L162-L164 HydrophobicContact CD2-CG 4.09Å; L162-L164 HydrophobicContact CG-CD2 4.08Å; L162-L164 HydrophobicContact CG-CG 4.17Å; L164-N208 CarbonylContact C-O 3.48Å; L164-N208 PolarHBondContact O-ND2 3.45Å; L164-A237 HydrophobicContact CB-CB 4.22Å; L164-A237 HydrophobicContact CD2-CB 4.46Å; L164-A237 WeakPolarHBondContact O-CB 3.42Å; L164-F240 HydrophobicContact CD2-CB 4.08Å; L164-F240 HydrophobicContact CD2-CG 4.35Å; L164-V266 HydrophobicContact CD1-CG1 3.71Å; L164-V266 HydrophobicContact CG-CG1 4.15Å; L164-L267 PolarHBondContact N-O 3.45Å; L164-A268 HydrophobicContact CD1-CB 4.21Å; L164-I303 HydrophobicContact CB-CG2 4.29Å; L164-I303 HydrophobicContact CD1-CG2 3.9Å
165C97.8Very high96.4Very high16 Ų1618.1 Ų18.111%0.10810%0.096CC..THydrogen-bonded Turntrans-138.656.9-171-70.10000110D163 N208 D269D163-C165 PolarHBondContact O-N 2.68Å; D163-C165 PolarHBondContact OD1-N 2.9Å; C165-N208 CarbonylContact C-O 3.44Å; C165-N208 WeakPolarHBondContact CA-O 3.38Å; C165-N208 PolarHBondContact N-O 3.26Å; C165-D269 WeakPolarHBondContact CB-O 3.34Å
166A97.2Very high96.4Very high7 Ų717.6 Ų17.66%0.0589%0.093CC..  trans-74.4-32-158.400000115.5D163 G169 S172 A207 N208 M218D163-A166 HydrophobicContact CB-CB 4Å; D163-A166 VanDerWaalsContact CG-CA 3.48Å; D163-A166 VanDerWaalsContact CG-CB 3.46Å; D163-A166 WeakPolarHBondContact OD1-CA 3.44Å; D163-A166 WeakPolarHBondContact OD2-CA 3.34Å; D163-A166 WeakPolarHBondContact OD2-CB 3.45Å; A166-G169 VanDerWaalsContact O-CA 3.27Å; A166-G169 WeakPolarHBondContact O-CA 3.42Å; A166-G169 PolarHBondContact O-N 3.1Å; A166-S172 WeakPolarHBondContact CB-OG 2.98Å; A166-A207 HydrophobicContact CB-CB 3.8Å; A166-N208 VanDerWaalsContact CB-O 3.31Å; A166-N208 WeakPolarHBondContact CB-O 3.23Å; A166-N208 PolarHBondContact N-O 3.48Å; A166-M218 HydrophobicContact CB-CE 4.03Å; A166-M218 HydrophobicContact CB-SD 3.4Å; A166-M218 WeakPolarHBondContact CB-SD 3.32Å
167A92.3Very high96.3Very high6 Ų613.1 Ų13.15%0.058%0.076CC..THydrogen-bonded Turntrans-70.3142.8-168.700000111.6G169 D209 R214 M218A167-G169 VanDerWaalsContact C-N 3.34Å; A167-D209 HydrophobicContact CB-CB 3.8Å; A167-D209 VanDerWaalsContact CB-OD2 3.27Å; A167-D209 WeakPolarHBondContact CB-OD2 3.38Å; A167-D209 PolarHBondContact N-OD2 2.93Å; A167-R214 HydrophobicContact CB-CB 3.53Å; A167-R214 PolarHBondContact O-NH2 3.01Å; A167-M218 HydrophobicContact CB-CB 4.46Å
168P92.2Very high96.3Very high68 Ų6814.1 Ų14.144%0.4428%0.08SC..THydrogen-bonded Turncis-82.55.414.434.5-37.9000115.3M217 M218P168-M217 HydrophobicContact CB-CE 4.4Å; P168-M218 VanDerWaalsContact O-CA 3.29Å; P168-M218 WeakPolarHBondContact O-CA 3.46Å
169G92.8Very high96.2Very high0 Ų09.4 Ų9.40%06%0.058CC..  trans101.55.3170.800000115.7A166 A167 S172 A173A166-G169 VanDerWaalsContact O-CA 3.27Å; A166-G169 WeakPolarHBondContact O-CA 3.42Å; A166-G169 PolarHBondContact O-N 3.1Å; A167-G169 VanDerWaalsContact C-N 3.34Å; G169-S172 PolarHBondContact O-N 3.35Å; G169-A173 VanDerWaalsContact O-CB 3.24Å; G169-A173 WeakPolarHBondContact O-CB 3.46Å; G169-A173 PolarHBondContact O-N 2.92Å
170S94.1Very high96Very high28 Ų289.4 Ų9.420%0.1966%0.058CC..Hα-helixtrans-62.8-43.8180-52.50000112.4Q174S170-Q174 PolarHBondContact O-N 2.62Å; S170-Q174 VanDerWaalsContact O-N 3.09Å
171K96.9Very high95.6Very high18 Ų1810.6 Ų10.68%0.0787%0.067CC..Hα-helixtrans-70.1-40.7178.2-64.7-173.2-179.572.10111.5S146 P149 P150 Q174 L175 L267 D269S146-K171 PolarHBondContact OG-NZ 2.99Å; P149-K171 HydrophobicContact CB-CD 4.32Å; P149-K171 HydrophobicContact CG-CD 4.12Å; P150-K171 HydrophobicContact CG-CB 3.87Å; P150-K171 HydrophobicContact CG-CG 4.21Å; K171-Q174 WeakPolarHBondContact O-CB 3.4Å; K171-Q174 PolarHBondContact O-N 3.19Å; K171-L175 WeakPolarHBondContact O-CG 3.4Å; K171-L175 PolarHBondContact O-N 3.34Å; K171-L267 HydrophobicContact CB-CD2 3.77Å; K171-L267 HydrophobicContact CD-CD2 3.94Å; K171-L267 HydrophobicContact CG-CD2 4.48Å; K171-D269 HydrophobicContact CD-CB 4.08Å; K171-D269 VanDerWaalsContact CE-OD2 3.26Å; K171-D269 WeakPolarHBondContact CE-OD2 3.26Å; K171-D269 IonicContact NZ-OD1 3.62Å; K171-D269 IonicContact NZ-OD2 3.94Å; K171-D269 PolarHBondContact NZ-OD2 2.8Å
172S97Very high95.2Very high0 Ų011.7 Ų11.70%07%0.073CC..Hα-helixtrans-65.6-38.7176.8-24.10000112.1D163 A166 G169 L175 V176D163-S172 PolarHBondContact OD2-OG 3.32Å; A166-S172 WeakPolarHBondContact CB-OG 2.98Å; G169-S172 PolarHBondContact O-N 3.35Å; S172-L175 WeakPolarHBondContact O-CB 3.39Å; S172-L175 PolarHBondContact O-N 2.81Å; S172-V176 WeakPolarHBondContact O-CG2 3.35Å; S172-V176 PolarHBondContact O-N 2.8Å
173A95.2Very high94.7Very high0 Ų011.9 Ų11.90%07%0.074CC..Hα-helixtrans-58.2-48.9170.300000110.7G169 L175 V176 E177 Q221 L225G169-A173 VanDerWaalsContact O-CB 3.24Å; G169-A173 WeakPolarHBondContact O-CB 3.46Å; G169-A173 PolarHBondContact O-N 2.92Å; A173-L175 VanDerWaalsContact C-N 3.31Å; A173-L175 PolarHBondContact O-N 2.74Å; A173-V176 WeakPolarHBondContact O-CB 3.42Å; A173-V176 PolarHBondContact O-N 3.14Å; A173-V176 VanDerWaalsContact O-N 3.16Å; A173-E177 VanDerWaalsContact O-CG 3.28Å; A173-E177 WeakPolarHBondContact O-CG 3.22Å; A173-E177 PolarHBondContact O-N 2.74Å; A173-Q221 HydrophobicContact CB-CG 4.35Å; A173-L225 HydrophobicContact CB-CD1 3.72Å; A173-L225 VanDerWaalsContact O-CD1 3.29Å; A173-L225 WeakPolarHBondContact O-CD1 3.35Å
174Q96.1Very high94Very high0 Ų013.4 Ų13.40%08%0.081CC..Hα-helixtrans-60.9-36.5175.7-172.5178.6-4.700113.3Y102 M147 P150 S170 K171 E177 L178Y102-Q174 PolarHBondContact OH-NE2 2.87Å; Y102-Q174 VanDerWaalsContact OH-NE2 3.16Å; M147-Q174 PolarHBondContact O-NE2 2.7Å; P150-Q174 HydrophobicContact CB-CB 4.13Å; P150-Q174 HydrophobicContact CB-CG 3.81Å; P150-Q174 HydrophobicContact CG-CB 4.09Å; P150-Q174 HydrophobicContact CG-CG 4.15Å; S170-Q174 PolarHBondContact O-N 2.62Å; S170-Q174 VanDerWaalsContact O-N 3.09Å; K171-Q174 WeakPolarHBondContact O-CB 3.4Å; K171-Q174 PolarHBondContact O-N 3.19Å; Q174-E177 PolarHBondContact O-N 2.73Å; Q174-L178 HydrophobicContact CG-CD1 4.48Å; Q174-L178 VanDerWaalsContact O-CG 3.32Å; Q174-L178 WeakPolarHBondContact O-CG 3.32Å; Q174-L178 PolarHBondContact O-N 3.28Å
175L97.5Very high93.4Very high0 Ų015.4 Ų15.40%010%0.098CC..Hα-helixtrans-63.2-43.3174.2-71.3169.9000112.2P150 L153 V155 I161 D163 K171 S172 A173 E177 L178 L179 V205 L267P150-L175 HydrophobicContact CB-CD2 3.76Å; P150-L175 HydrophobicContact CB-CG 4.02Å; P150-L175 HydrophobicContact CG-CD2 4.5Å; P150-L175 HydrophobicContact CG-CG 4.36Å; L153-L175 HydrophobicContact CD1-CD2 3.73Å; V155-L175 HydrophobicContact CG2-CD2 3.75Å; I161-L175 HydrophobicContact CG2-CD1 3.89Å; I161-L175 HydrophobicContact CG2-CD2 4.23Å; D163-L175 HydrophobicContact CB-CD1 4.33Å; K171-L175 WeakPolarHBondContact O-CG 3.4Å; K171-L175 PolarHBondContact O-N 3.34Å; S172-L175 WeakPolarHBondContact O-CB 3.39Å; S172-L175 PolarHBondContact O-N 2.81Å; A173-L175 VanDerWaalsContact C-N 3.31Å; A173-L175 PolarHBondContact O-N 2.74Å; L175-E177 VanDerWaalsContact C-N 3.26Å; L175-E177 PolarHBondContact O-N 3.03Å; L175-L178 PolarHBondContact O-N 2.69Å; L175-L179 PolarHBondContact O-N 3.09Å; L175-V205 HydrophobicContact CB-CG1 4.32Å; L175-V205 HydrophobicContact CB-CG2 4.15Å; L175-L267 HydrophobicContact CD1-CB 4.46Å; L175-L267 HydrophobicContact CD1-CD2 4.06Å
176V95.9Very high92.6Very high0 Ų017.8 Ų17.80%011%0.112CC..Hα-helixtrans-59.8-42.1175170.40000110.1S172 A173 L179 H180 V205 L225 S227 V230S172-V176 WeakPolarHBondContact O-CG2 3.35Å; S172-V176 PolarHBondContact O-N 2.8Å; A173-V176 WeakPolarHBondContact O-CB 3.42Å; A173-V176 PolarHBondContact O-N 3.14Å; A173-V176 VanDerWaalsContact O-N 3.16Å; V176-L179 WeakPolarHBondContact O-CB 3.36Å; V176-L179 PolarHBondContact O-N 2.77Å; V176-H180 PolarHBondContact O-CD2 2.75Å; V176-H180 VanDerWaalsContact O-CD2 3.24Å; V176-H180 PolarHBondContact O-N 3.11Å; V176-V205 HydrophobicContact CG2-CB 3.91Å; V176-V205 HydrophobicContact CG2-CG1 4.27Å; V176-V205 HydrophobicContact CG2-CG2 3.79Å; V176-L225 HydrophobicContact CB-CD1 3.87Å; V176-L225 HydrophobicContact CG1-CB 4.43Å; V176-L225 HydrophobicContact CG1-CD1 3.87Å; V176-S227 WeakPolarHBondContact CG1-OG 3.37Å; V176-V230 HydrophobicContact CG2-CB 4.09Å; V176-V230 HydrophobicContact CG2-CG2 4.06Å
177E94.3Very high91.5Very high2 Ų219.5 Ų19.51%0.00912%0.119CC..Hα-helixtrans-66.7-41179.9-67.3178.1-118.900112.8R55 T57 G58 F59 A173 Q174 L175 L179 H180 S181 L225R55-E177 IonicContact CZ-OE1 2.76Å; R55-E177 IonicContact CZ-OE2 3.12Å; R55-E177 IonicContact NH1-OE1 2.72Å; R55-E177 IonicContact NH1-OE2 2.95Å; R55-E177 PolarHBondContact NH1-OE2 3.44Å; R55-E177 IonicContact NH2-OE1 3.72Å; R55-E177 PolarHBondContact NH2-OE1 3.03Å; R55-E177 IonicContact NH2-OE2 2.67Å; R55-E177 PolarHBondContact NH2-OE2 3.02Å; T57-E177 VanDerWaalsContact CA-OE2 3.22Å; T57-E177 WeakPolarHBondContact CA-OE2 3.4Å; T57-E177 HydrophobicContact CG2-CG 4.07Å; T57-E177 VanDerWaalsContact CG2-OE2 3.32Å; T57-E177 WeakPolarHBondContact CG2-OE2 3.09Å; G58-E177 PolarHBondContact N-OE2 3.12Å; F59-E177 HydrophobicContact CD1-CB 4.14Å; F59-E177 HydrophobicContact CD1-CG 3.96Å; F59-E177 HydrophobicContact CE1-CB 4.43Å; F59-E177 HydrophobicContact CE1-CG 3.77Å; A173-E177 VanDerWaalsContact O-CG 3.28Å; A173-E177 WeakPolarHBondContact O-CG 3.22Å; A173-E177 PolarHBondContact O-N 2.74Å; Q174-E177 PolarHBondContact O-N 2.73Å; L175-E177 VanDerWaalsContact C-N 3.26Å; L175-E177 PolarHBondContact O-N 3.03Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.09Å; E177-H180 PolarHBondContact O-N 3.22Å; E177-S181 WeakPolarHBondContact O-CB 3.49Å; E177-S181 PolarHBondContact O-N 3.39Å; E177-S181 PolarHBondContact O-OG 3.17Å; E177-L225 HydrophobicContact CG-CD1 3.81Å; E177-L225 HydrophobicContact CG-CD2 3.77Å; E177-L225 HydrophobicContact CG-CG 4.42Å; E177-L225 WeakPolarHBondContact OE1-CD2 3.35Å
178L94.8Very high90.7Very high40 Ų4025.8 Ų25.821%0.20915%0.151CC..Hα-helixtrans-63.3-36.6174.6-68169.7000112P150 L151 V155 Q174 L175 D182P150-L178 HydrophobicContact CB-CD1 3.96Å; P150-L178 WeakPolarHBondContact O-CD1 3.2Å; L151-L178 HydrophobicContact CD2-CD1 4.41Å; L151-L178 HydrophobicContact CD2-CD2 4.1Å; V155-L178 HydrophobicContact CB-CB 3.89Å; V155-L178 HydrophobicContact CB-CD1 4.45Å; V155-L178 HydrophobicContact CG1-CB 3.98Å; V155-L178 HydrophobicContact CG2-CB 4.49Å; V155-L178 HydrophobicContact CG2-CD1 4.37Å; Q174-L178 HydrophobicContact CG-CD1 4.48Å; Q174-L178 VanDerWaalsContact O-CG 3.32Å; Q174-L178 WeakPolarHBondContact O-CG 3.32Å; Q174-L178 PolarHBondContact O-N 3.28Å; L175-L178 PolarHBondContact O-N 2.69Å; L178-D182 WeakPolarHBondContact O-CB 3.42Å; L178-D182 PolarHBondContact O-N 3.21Å; L178-D182 VanDerWaalsContact O-N 3.11Å
179L95.3Very high89.9Confident0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-60.7-44.9176.6-162.988.6000111.5V155 R156 I161 L175 V176 E177 A183 P201 C229V155-L179 HydrophobicContact CG1-CB 4.32Å; V155-L179 HydrophobicContact CG1-CD1 4.14Å; R156-L179 WeakPolarHBondContact O-CD1 3.5Å; I161-L179 HydrophobicContact CD1-CD1 3.92Å; L175-L179 PolarHBondContact O-N 3.09Å; V176-L179 WeakPolarHBondContact O-CB 3.36Å; V176-L179 PolarHBondContact O-N 2.77Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.09Å; L179-A183 PolarHBondContact O-N 3.19Å; L179-P201 HydrophobicContact CD2-CB 3.4Å; L179-P201 VanDerWaalsContact CD2-CB 3.4Å; L179-P201 HydrophobicContact CD2-CG 3.92Å; L179-P201 HydrophobicContact CG-CB 3.59Å; L179-P201 HydrophobicContact CG-CG 4.11Å; L179-C229 HydrophobicContact CD2-CB 3.69Å
180H93.3Very high88.8Confident1 Ų136.2 Ų36.21%0.00519%0.193CC..Hα-helixtrans-72.8-45.5177.6-77.9-77.4000112.9F59 V176 E177 D182 A183 E184 Y198 P201 S227F59-H180 HydrophobicContact CB-CB 3.37Å; F59-H180 HydrophobicContact CD1-CB 3.83Å; F59-H180 HydrophobicContact CD2-CB 3.3Å; F59-H180 AromaticContact CD2-CG 3.48Å; F59-H180 VanDerWaalsContact CD2-CG 3.48Å; F59-H180 AromaticContact CD2-ND1 3.88Å; F59-H180 HydrophobicContact CE1-CB 4.49Å; F59-H180 HydrophobicContact CE2-CB 4.07Å; F59-H180 AromaticContact CE2-CD2 3.92Å; F59-H180 AromaticContact CE2-CG 3.78Å; F59-H180 HydrophobicContact CG-CB 3.18Å; F59-H180 AromaticContact CG-CG 3.85Å; V176-H180 PolarHBondContact O-CD2 2.75Å; V176-H180 VanDerWaalsContact O-CD2 3.24Å; V176-H180 PolarHBondContact O-N 3.11Å; E177-H180 PolarHBondContact O-N 3.22Å; H180-D182 PolarHBondContact O-N 2.89Å; H180-A183 WeakPolarHBondContact O-CA 3.49Å; H180-A183 WeakPolarHBondContact O-CB 3.42Å; H180-A183 PolarHBondContact O-N 3.09Å; H180-E184 PolarHBondContact O-N 2.88Å; H180-Y198 AromaticContact CE1-CE2 3.76Å; H180-Y198 AromaticContact ND1-CE2 3.84Å; H180-P201 HydrophobicContact CB-CG 4.35Å; H180-P201 WeakPolarHBondContact CE1-CD 3.27Å; H180-P201 VanDerWaalsContact ND1-CD 3.31Å; H180-P201 WeakPolarHBondContact ND1-CD 3.4Å; H180-P201 WeakPolarHBondContact ND1-CG 3.15Å; H180-S227 WeakPolarHBondContact NE2-CB 3.48Å; H180-S227 PolarHBondContact NE2-OG 3.4Å
181S90Very high87.1Confident35 Ų3537.6 Ų37.625%0.24521%0.212CC..Hα-helixtrans-58.5-37.2178.9-69.70000112.4G58 E177 A185G58-S181 PolarHBondContact O-OG 2.97Å; E177-S181 WeakPolarHBondContact O-CB 3.49Å; E177-S181 PolarHBondContact O-N 3.39Å; E177-S181 PolarHBondContact O-OG 3.17Å; S181-A185 VanDerWaalsContact O-CB 3.27Å; S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 3.14Å
182D91.1Very high85.3Confident24 Ų2440.6 Ų40.613%0.12823%0.231CC..Hα-helixtrans-68.3-39.3174.1-174.687.1000111.6R156 S157 L178 H180 E184 A185 V186R156-D182 WeakPolarHBondContact CA-OD2 3.26Å; R156-D182 WeakPolarHBondContact CD-OD1 3.36Å; R156-D182 IonicContact NH1-OD1 3.42Å; R156-D182 PolarHBondContact NH1-OD1 3.18Å; S157-D182 WeakPolarHBondContact CB-OD2 3.27Å; S157-D182 PolarHBondContact N-OD2 3.02Å; S157-D182 PolarHBondContact OG-OD2 3.03Å; L178-D182 WeakPolarHBondContact O-CB 3.42Å; L178-D182 PolarHBondContact O-N 3.21Å; L178-D182 VanDerWaalsContact O-N 3.11Å; H180-D182 PolarHBondContact O-N 2.89Å; D182-E184 PolarHBondContact O-N 3.34Å; D182-A185 PolarHBondContact O-N 2.81Å; D182-V186 VanDerWaalsContact O-CG2 3.26Å; D182-V186 WeakPolarHBondContact O-CG2 3.21Å; D182-V186 PolarHBondContact O-N 3.16Å
183A87.2Confident82.9Confident3 Ų348.9 Ų48.93%0.02527%0.27CS..Hα-helixtrans-61.9-45177.700000111.9L179 H180 V186 Q187 V199 P201L179-A183 PolarHBondContact O-N 3.19Å; H180-A183 WeakPolarHBondContact O-CA 3.49Å; H180-A183 WeakPolarHBondContact O-CB 3.42Å; H180-A183 PolarHBondContact O-N 3.09Å; A183-V186 PolarHBondContact O-N 2.86Å; A183-Q187 PolarHBondContact O-N 2.96Å; A183-Q187 VanDerWaalsContact O-N 3.14Å; A183-V199 HydrophobicContact CB-CB 4.25Å; A183-V199 HydrophobicContact CB-CG1 3.98Å; A183-P201 HydrophobicContact CB-CB 4.41Å; A183-P201 HydrophobicContact CB-CG 4.03Å
184E85.2Confident80.9Confident33 Ų3356.5 Ų56.515%0.15431%0.311CS..Hα-helixtrans-64.6-42.9175.1-67.4-177.1163.300112.1F59 H180 D182 V186 Q187 L188F59-E184 VanDerWaalsContact CA-OE2 3.23Å; F59-E184 WeakPolarHBondContact CA-OE2 3.06Å; H180-E184 PolarHBondContact O-N 2.88Å; D182-E184 PolarHBondContact O-N 3.34Å; E184-V186 VanDerWaalsContact C-N 3.35Å; E184-V186 PolarHBondContact O-N 2.66Å; E184-Q187 PolarHBondContact O-N 3.07Å; E184-L188 WeakPolarHBondContact O-CG 3.41Å; E184-L188 PolarHBondContact O-N 3.4Å
185A84.3Confident78.8Confident42 Ų4258 Ų5835%0.34732%0.323SS..Hα-helixtrans-64.6-37.7178.500000112.6S181 D182 K189S181-A185 VanDerWaalsContact O-CB 3.27Å; S181-A185 WeakPolarHBondContact O-CB 3.38Å; S181-A185 PolarHBondContact O-N 3.14Å; D182-A185 PolarHBondContact O-N 2.81Å; A185-K189 WeakPolarHBondContact O-CG 3.3Å; A185-K189 PolarHBondContact O-N 3.31Å
186V81.4Confident76.7Confident67 Ų6759.6 Ų59.641%0.40633%0.334SS..Hα-helixtrans-62.4-45.1173.5169.60000110.1D182 A183 E184 K189 I190D182-V186 VanDerWaalsContact O-CG2 3.26Å; D182-V186 WeakPolarHBondContact O-CG2 3.21Å; D182-V186 PolarHBondContact O-N 3.16Å; A183-V186 PolarHBondContact O-N 2.86Å; E184-V186 VanDerWaalsContact C-N 3.35Å; E184-V186 PolarHBondContact O-N 2.66Å; V186-K189 PolarHBondContact O-N 2.92Å; V186-I190 HydrophobicContact CG1-CD1 4.32Å; V186-I190 WeakPolarHBondContact O-CG1 3.4Å; V186-I190 PolarHBondContact O-N 2.88Å
187Q75.4Confident75.4Confident43 Ų4364.7 Ų64.720%0.20136%0.356CS..Hα-helixtrans-63.3-43.8179.2-173.962.639.800112.6A183 E184 K189 I190 A195 V199A183-Q187 PolarHBondContact O-N 2.96Å; A183-Q187 VanDerWaalsContact O-N 3.14Å; E184-Q187 PolarHBondContact O-N 3.07Å; Q187-K189 PolarHBondContact O-N 3.26Å; Q187-I190 PolarHBondContact O-N 2.96Å; Q187-A195 HydrophobicContact CG-CB 3.89Å; Q187-A195 VanDerWaalsContact NE2-CB 3.27Å; Q187-V199 HydrophobicContact CB-CG2 3.52Å; Q187-V199 HydrophobicContact CG-CG2 3.62Å
188L74.7Confident74.7Confident137 Ų13765.5 Ų65.572%0.71736%0.359SS*.Hα-helixtrans-58.2-33177.7-74172.1000112.4E184 G191E184-L188 WeakPolarHBondContact O-CG 3.41Å; E184-L188 PolarHBondContact O-N 3.4Å; L188-G191 PolarHBondContact O-N 3.15Å
189K74.5Confident74.2Confident180 Ų18064.9 Ų64.978%0.78336%0.357SS*.Hα-helixtrans-72.2-26.8176.8-70.6173.7-178.81790113.8A185 V186 Q187 G191A185-K189 WeakPolarHBondContact O-CG 3.3Å; A185-K189 PolarHBondContact O-N 3.31Å; V186-K189 PolarHBondContact O-N 2.92Å; Q187-K189 PolarHBondContact O-N 3.26Å; K189-G191 PolarHBondContact O-N 3.42Å
190I70.3Confident73.9Confident107 Ų10766.8 Ų66.855%0.54937%0.366SS..Hα-helixtrans-75.5-18.4179.9-57.9169.1000110.4V186 Q187 V192V186-I190 HydrophobicContact CG1-CD1 4.32Å; V186-I190 WeakPolarHBondContact O-CG1 3.4Å; V186-I190 PolarHBondContact O-N 2.88Å; Q187-I190 PolarHBondContact O-N 2.96Å; I190-V192 VanDerWaalsContact C-N 3.29Å; I190-V192 HydrophobicContact CB-CG2 4.38Å; I190-V192 HydrophobicContact CG2-CG2 3.67Å; I190-V192 PolarHBondContact O-N 3.05Å
191G58.9Low73.9Confident58 Ų5866.8 Ų66.860%0.59837%0.366SS*.THydrogen-bonded Turntrans67.923.116900000114.7L188 K189 E193L188-G191 PolarHBondContact O-N 3.15Å; K189-G191 PolarHBondContact O-N 3.42Å; G191-E193 PolarHBondContact O-N 3.35Å; G191-E193 VanDerWaalsContact O-N 3.15Å
192V57.9Low74.1Confident80 Ų8069.5 Ų69.549%0.48538%0.381SS..  trans-71.7109.2179.8-174.90000109.7I190 N194 A195I190-V192 VanDerWaalsContact C-N 3.29Å; I190-V192 HydrophobicContact CB-CG2 4.38Å; I190-V192 HydrophobicContact CG2-CG2 3.67Å; I190-V192 PolarHBondContact O-N 3.05Å; V192-N194 PolarHBondContact O-N 3Å; V192-A195 HydrophobicContact CB-CB 4.2Å; V192-A195 PolarHBondContact O-N 2.82Å; V192-A195 VanDerWaalsContact O-N 3.11Å
193E48.2Very low74.4Confident174 Ų17468.3 Ų68.381%0.81338%0.375SS*.THydrogen-bonded Turntrans-57.6121.3165.8-68.1-174.8169.800108.5G191G191-E193 PolarHBondContact O-N 3.35Å; G191-E193 VanDerWaalsContact O-N 3.15Å
194N51.9Low75Confident161 Ų16168.2 Ų68.286%0.86137%0.374SS*.THydrogen-bonded Turntrans79.420.7-174.2-43.3-63.5000117.2V192V192-N194 PolarHBondContact O-N 3Å
195A51.9Low75.6Confident30 Ų3066.6 Ų66.625%0.24837%0.366CS..  trans-55.9140.6164.900000111.2Q187 V192 K197Q187-A195 HydrophobicContact CG-CB 3.89Å; Q187-A195 VanDerWaalsContact NE2-CB 3.27Å; V192-A195 HydrophobicContact CB-CB 4.2Å; V192-A195 PolarHBondContact O-N 2.82Å; V192-A195 VanDerWaalsContact O-N 3.11Å; A195-K197 PolarHBondContact O-N 2.69Å
196P55.1Low76.3Confident35 Ų3564.6 Ų64.623%0.22735%0.35CS..  trans-59.8137.116921.4-26.2000109.5Y198 I531P196-Y198 VanDerWaalsContact C-N 3.25Å; P196-Y198 PolarHBondContact O-N 2.88Å; P196-I531 HydrophobicContact CB-CD1 4.5Å; P196-I531 HydrophobicContact CG-CB 4.29Å; P196-I531 HydrophobicContact CG-CD1 3.14Å; P196-I531 HydrophobicContact CG-CG1 3.6Å
197K67.5Low77.1Confident106 Ų10661.4 Ų61.446%0.46133%0.33SS..SBendtrans-63.8-32.3-176.7-74174.4154.7-136.40112.6D61 A195D61-K197 WeakPolarHBondContact OD2-CD 3.3Å; D61-K197 VanDerWaalsContact OD2-CE 3.29Å; D61-K197 WeakPolarHBondContact OD2-CE 3.33Å; D61-K197 IonicContact OD2-NZ 3.54Å; D61-K197 PolarHBondContact OD2-NZ 3.29Å; A195-K197 PolarHBondContact O-N 2.69Å
198Y79.8Confident78.2Confident20 Ų2059.4 Ų59.48%0.07832%0.321CS..  trans-92.5129.7172172.8-97.6000110.5H180 P196 E200 P228 V601 A604H180-Y198 AromaticContact CE1-CE2 3.76Å; H180-Y198 AromaticContact ND1-CE2 3.84Å; P196-Y198 VanDerWaalsContact C-N 3.25Å; P196-Y198 PolarHBondContact O-N 2.88Å; Y198-E200 HydrophobicContact CE1-CB 3.88Å; Y198-P228 VanDerWaalsContact OH-CD 3.29Å; Y198-P228 WeakPolarHBondContact OH-CD 3.34Å; Y198-P228 WeakPolarHBondContact OH-CG 3.42Å; Y198-V601 HydrophobicContact CE1-CG2 4.22Å; Y198-A604 HydrophobicContact CD1-CB 3.69Å; Y198-A604 HydrophobicContact CG-CB 4.2Å
199V83.8Confident79.2Confident27 Ų2753.3 Ų53.316%0.16429%0.289CS..  trans-118.1116.7173.51790000108.3A183 Q187 P201A183-V199 HydrophobicContact CB-CB 4.25Å; A183-V199 HydrophobicContact CB-CG1 3.98Å; Q187-V199 HydrophobicContact CB-CG2 3.52Å; Q187-V199 HydrophobicContact CG-CG2 3.62Å; V199-P201 VanDerWaalsContact O-CD 3.26Å; V199-P201 WeakPolarHBondContact O-CD 3.31Å
200E89.2Confident80.2Confident39 Ų3951.3 Ų51.318%0.18228%0.281CS..  trans-68122.8177.9-174.9-177.1101.700110.7Y198 P228 Y554 N556Y198-E200 HydrophobicContact CE1-CB 3.88Å; E200-P228 HydrophobicContact CG-CG 4.34Å; E200-Y554 WeakPolarHBondContact OE2-CE1 3.49Å; E200-Y554 VanDerWaalsContact OE2-CZ 3.3Å; E200-Y554 PolarHBondContact OE2-OH 3Å; E200-N556 HydrophobicContact CG-CB 4.16Å; E200-N556 VanDerWaalsContact OE1-CB 3.28Å; E200-N556 WeakPolarHBondContact OE1-CB 2.97Å
201P94.1Very high81.3Confident1 Ų149.6 Ų49.61%0.00627%0.272CS..  trans-67.5136.3172.2-20.332.7000112.1S157 L179 H180 A183 V199 G203 C229 N556S157-P201 WeakPolarHBondContact O-CB 3.45Å; L179-P201 HydrophobicContact CD2-CB 3.4Å; L179-P201 VanDerWaalsContact CD2-CB 3.4Å; L179-P201 HydrophobicContact CD2-CG 3.92Å; L179-P201 HydrophobicContact CG-CB 3.59Å; L179-P201 HydrophobicContact CG-CG 4.11Å; H180-P201 HydrophobicContact CB-CG 4.35Å; H180-P201 WeakPolarHBondContact CE1-CD 3.27Å; H180-P201 VanDerWaalsContact ND1-CD 3.31Å; H180-P201 WeakPolarHBondContact ND1-CD 3.4Å; H180-P201 WeakPolarHBondContact ND1-CG 3.15Å; A183-P201 HydrophobicContact CB-CB 4.41Å; A183-P201 HydrophobicContact CB-CG 4.03Å; V199-P201 VanDerWaalsContact O-CD 3.26Å; V199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-G203 VanDerWaalsContact C-N 3.33Å; P201-C229 PolarHBondContact O-SG 3.08Å; P201-N556 PolarHBondContact O-ND2 3.19Å
202T94.6Very high82.9Confident92 Ų9250.4 Ų50.456%0.56426%0.261SS*.SBendtrans-78.4-19.9178.455.90000113.1S157 H158S157-T202 PolarHBondContact O-N 3.22Å; H158-T202 WeakPolarHBondContact CA-OG1 3.49Å; H158-T202 WeakPolarHBondContact CB-OG1 3.32Å
203G97.6Very high84.5Confident0 Ų054.5 Ų54.50%027%0.272CS..SBendtrans-79.5-174.8175.700000113.5S157 H159 P201 N556S157-G203 WeakPolarHBondContact O-CA 3.47Å; S157-G203 PolarHBondContact O-N 2.85Å; H159-G203 CarbonylContact O-C 3.37Å; H159-G203 WeakPolarHBondContact O-CA 3.25Å; P201-G203 VanDerWaalsContact C-N 3.33Å; G203-N556 PolarHBondContact O-ND2 3.49Å
204M98.1Very high86.6Confident0 Ų051 Ų510%025%0.251CS..EExtended strand (participates in β ladder)trans-153.3155.9178.365.7177.3173.200112.7H159 T160 I161 I206 C229 L261 L558 I559 M562H159-M204 PolarHBondContact O-N 3.43Å; T160-M204 HydrophobicContact CG2-CE 4.33Å; I161-M204 PolarHBondContact N-O 2.63Å; M204-I206 HydrophobicContact CE-CD1 4.11Å; M204-I206 HydrophobicContact SD-CD1 4.49Å; M204-I206 HydrophobicContact SD-CG1 4.43Å; M204-C229 CarbonylContact C-O 3.58Å; M204-C229 WeakPolarHBondContact CA-O 3.17Å; M204-L261 HydrophobicContact CE-CD1 3.9Å; M204-L261 HydrophobicContact CE-CD2 3.27Å; M204-L261 HydrophobicContact CE-CG 4.23Å; M204-L558 HydrophobicContact CB-CD2 4.35Å; M204-L558 HydrophobicContact CE-CD2 4.11Å; M204-L558 HydrophobicContact CE-CG 4.11Å; M204-L558 HydrophobicContact CG-CD2 3.82Å; M204-L558 HydrophobicContact CG-CG 4.34Å; M204-L558 HydrophobicContact SD-CD2 4.05Å; M204-L558 HydrophobicContact SD-CG 3.93Å; M204-I559 HydrophobicContact CB-CD1 4Å; M204-I559 HydrophobicContact CB-CG1 3.82Å; M204-I559 HydrophobicContact CG-CG1 4.43Å; M204-I559 HydrophobicContact SD-CG1 3.72Å; M204-M562 HydrophobicContact CE-CG 4.48Å; M204-M562 HydrophobicContact CE-SD 4.47Å
205V98.6Very high88.6Confident0 Ų043.3 Ų43.30%021%0.21CC..EExtended strand (participates in β ladder)trans-111.8120.4171.9-177.70000109.6I161 L175 V176 C229 V230 V231I161-V205 HydrophobicContact CB-CG2 4.29Å; I161-V205 HydrophobicContact CD1-CG2 4.12Å; I161-V205 WeakPolarHBondContact O-CA 3.36Å; L175-V205 HydrophobicContact CB-CG1 4.32Å; L175-V205 HydrophobicContact CB-CG2 4.15Å; V176-V205 HydrophobicContact CG2-CB 3.91Å; V176-V205 HydrophobicContact CG2-CG1 4.27Å; V176-V205 HydrophobicContact CG2-CG2 3.79Å; V205-C229 PolarHBondContact N-O 3.21Å; V205-V230 HydrophobicContact CB-CG2 4.44Å; V205-V230 WeakPolarHBondContact O-CA 3.4Å; V205-V231 PolarHBondContact O-N 3.09Å
206I98.5Very high90.5Very high0 Ų046.9 Ų46.90%022%0.218CC..EExtended strand (participates in β ladder)trans-99.8113.6168-55.5-171.5000108.1I161 L162 D163 M204 V231 T233 F240 L243 L261 F263 M562I161-I206 PolarHBondContact O-N 2.83Å; L162-I206 HydrophobicContact CD1-CB 3.94Å; L162-I206 HydrophobicContact CD1-CG2 3.85Å; D163-I206 PolarHBondContact N-O 2.91Å; M204-I206 HydrophobicContact CE-CD1 4.11Å; M204-I206 HydrophobicContact SD-CD1 4.49Å; M204-I206 HydrophobicContact SD-CG1 4.43Å; I206-V231 CarbonylContact C-O 3.57Å; I206-V231 WeakPolarHBondContact CA-O 3.42Å; I206-V231 HydrophobicContact CG1-CB 4.38Å; I206-T233 HydrophobicContact CG2-CG2 3.95Å; I206-F240 HydrophobicContact CG2-CZ 4.05Å; I206-L243 HydrophobicContact CD1-CD1 3.53Å; I206-L261 HydrophobicContact CD1-CD2 4.4Å; I206-F263 HydrophobicContact CD1-CE1 3.77Å; I206-F263 HydrophobicContact CD1-CZ 3.88Å; I206-F263 HydrophobicContact CG1-CE1 4.22Å; I206-M562 HydrophobicContact CD1-SD 3.71Å
207A98.2Very high92.2Very high0 Ų050.9 Ų50.90%024%0.235CC..EExtended strand (participates in β ladder)trans-103.7113.8178.500000109.7A166 M218 V231 I232 T233A166-A207 HydrophobicContact CB-CB 3.8Å; A207-M218 HydrophobicContact CB-CE 4.06Å; A207-M218 HydrophobicContact CB-SD 3.58Å; A207-M218 VanDerWaalsContact CB-SD 3.58Å; A207-V231 PolarHBondContact N-O 2.86Å; A207-I232 HydrophobicContact CB-CG1 4.43Å; A207-I232 WeakPolarHBondContact O-CA 3.34Å; A207-T233 PolarHBondContact O-N 3.42Å
208N98.4Very high93.4Very high1 Ų145.9 Ų45.91%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-111.3138.9-174.7179.666.4000112.1D163 L164 C165 A166 T233 E235 F240D163-N208 WeakPolarHBondContact O-CB 3.48Å; D163-N208 PolarHBondContact O-N 2.08Å; L164-N208 CarbonylContact C-O 3.48Å; L164-N208 PolarHBondContact O-ND2 3.45Å; C165-N208 CarbonylContact C-O 3.44Å; C165-N208 WeakPolarHBondContact CA-O 3.38Å; C165-N208 PolarHBondContact N-O 3.26Å; A166-N208 VanDerWaalsContact CB-O 3.31Å; A166-N208 WeakPolarHBondContact CB-O 3.23Å; A166-N208 PolarHBondContact N-O 3.48Å; N208-T233 WeakPolarHBondContact CA-O 3.3Å; N208-T233 WeakPolarHBondContact CB-OG1 3.22Å; N208-T233 PolarHBondContact OD1-O 3.33Å; N208-T233 PolarHBondContact OD1-OG1 3.29Å; N208-E235 PolarHBondContact ND2-O 2.73Å; N208-E235 WeakPolarHBondContact OD1-CA 3.29Å; N208-E235 WeakPolarHBondContact OD1-CB 3.3Å; N208-E235 PolarHBondContact OD1-N 2.78Å; N208-E235 PolarHBondContact OD1-O 2.98Å; N208-F240 HydrophobicContact CB-CD2 4.04Å; N208-F240 HydrophobicContact CB-CE2 3.71Å
209D97.2Very high94Very high8 Ų846.3 Ų46.34%0.04322%0.218CC..  trans-146.2149.3162.7-161.6-76.9000110.4A167 D211 R214 C215 T233 Q234A167-D209 HydrophobicContact CB-CB 3.8Å; A167-D209 VanDerWaalsContact CB-OD2 3.27Å; A167-D209 WeakPolarHBondContact CB-OD2 3.38Å; A167-D209 PolarHBondContact N-OD2 2.93Å; D209-D211 PolarHBondContact OD1-N 3.18Å; D209-R214 IonicContact OD1-NH1 3.36Å; D209-R214 PolarHBondContact OD1-NH1 3.27Å; D209-R214 IonicContact OD2-CZ 3.11Å; D209-R214 IonicContact OD2-NH1 3.56Å; D209-R214 PolarHBondContact OD2-NH1 3.08Å; D209-R214 IonicContact OD2-NH2 3.61Å; D209-C215 PolarHBondContact O-SG 2.92Å; D209-T233 PolarHBondContact N-O 3.09Å; D209-Q234 VanDerWaalsContact O-CA 3.26Å; D209-Q234 WeakPolarHBondContact O-CA 2.91Å; D209-Q234 WeakPolarHBondContact O-CG 3.46Å
210F94.8Very high94.2Very high139 Ų13950.1 Ų50.161%0.6123%0.234SC*.SBendtrans-74.8-30.6179.7-178.3-108.2000112.7Q234 D236F210-Q234 PolarHBondContact O-NE2 3.14Å; F210-D236 HydrophobicContact CD2-CB 3.91Å; F210-D236 HydrophobicContact CE2-CB 4.17Å
211D93.6Very high94.1Very high70 Ų7050 Ų5037%0.37423%0.233SC..  trans-88.8116.2-175.6-175-61.6000111.8D209 K213 R214 C215D209-D211 PolarHBondContact OD1-N 3.18Å; D211-K213 VanDerWaalsContact C-N 3.33Å; D211-K213 PolarHBondContact O-N 3.5Å; D211-K213 WeakPolarHBondContact OD1-CA 3.45Å; D211-K213 WeakPolarHBondContact OD1-CB 3.27Å; D211-K213 PolarHBondContact OD1-N 2.76Å; D211-R214 HydrophobicContact CB-CB 3.99Å; D211-R214 HydrophobicContact CB-CG 3.87Å; D211-R214 PolarHBondContact O-N 3.01Å; D211-R214 VanDerWaalsContact O-N 3.14Å; D211-R214 PolarHBondContact OD1-N 3.47Å; D211-C215 PolarHBondContact O-N 2.74Å; D211-C215 PolarHBondContact O-SG 3.21Å
212Q91.6Very high93.8Very high75 Ų7550.1 Ų50.135%0.3523%0.234SC..Hα-helixtrans-57.7-40.2-178.7-168.8-177.114.800113.7R214 C215 Y216Q212-R214 VanDerWaalsContact C-N 3.32Å; Q212-C215 WeakPolarHBondContact O-CB 3.48Å; Q212-C215 PolarHBondContact O-N 3.3Å; Q212-Y216 HydrophobicContact CG-CD2 4.34Å; Q212-Y216 HydrophobicContact CG-CE2 3.65Å; Q212-Y216 PolarHBondContact NE2-OH 2.95Å; Q212-Y216 WeakPolarHBondContact O-CD2 3.39Å; Q212-Y216 PolarHBondContact O-N 3.39Å
213K92.4Very high93.5Very high167 Ų16750.1 Ų50.173%0.72623%0.226SC*.Hα-helixtrans-67.5-39.4-179.7-66-177.9177.3-176.50110.2D211 C215 Y216 M217D211-K213 VanDerWaalsContact C-N 3.33Å; D211-K213 PolarHBondContact O-N 3.5Å; D211-K213 WeakPolarHBondContact OD1-CA 3.45Å; D211-K213 WeakPolarHBondContact OD1-CB 3.27Å; D211-K213 PolarHBondContact OD1-N 2.76Å; K213-C215 VanDerWaalsContact C-N 3.35Å; K213-Y216 PolarHBondContact O-N 2.89Å; K213-M217 PolarHBondContact O-N 3.11Å
214R92.6Very high92.9Very high100 Ų10051.5 Ų51.538%0.37723%0.231SC..Hα-helixtrans-66.6-35.9175.1-64.3-177.768.4-1539.5111.8A167 D209 D211 Q212 Y216 M217 M218A167-R214 HydrophobicContact CB-CB 3.53Å; A167-R214 PolarHBondContact O-NH2 3.01Å; D209-R214 IonicContact OD1-NH1 3.36Å; D209-R214 PolarHBondContact OD1-NH1 3.27Å; D209-R214 IonicContact OD2-CZ 3.11Å; D209-R214 IonicContact OD2-NH1 3.56Å; D209-R214 PolarHBondContact OD2-NH1 3.08Å; D209-R214 IonicContact OD2-NH2 3.61Å; D211-R214 HydrophobicContact CB-CB 3.99Å; D211-R214 HydrophobicContact CB-CG 3.87Å; D211-R214 PolarHBondContact O-N 3.01Å; D211-R214 VanDerWaalsContact O-N 3.14Å; D211-R214 PolarHBondContact OD1-N 3.47Å; Q212-R214 VanDerWaalsContact C-N 3.32Å; R214-Y216 VanDerWaalsContact C-N 3.35Å; R214-Y216 PolarHBondContact O-N 2.82Å; R214-M217 WeakPolarHBondContact O-CB 3.26Å; R214-M217 PolarHBondContact O-N 3.1Å; R214-M218 PolarHBondContact O-N 3.49Å; R214-M218 VanDerWaalsContact O-N 3.08Å
215C93.6Very high92.4Very high0 Ų051.6 Ų51.60%023%0.232CC..Hα-helixtrans-57.2-45.1171-630000111.8D209 D211 Q212 K213 M217 M218 V219 I232 V574D209-C215 PolarHBondContact O-SG 2.92Å; D211-C215 PolarHBondContact O-N 2.74Å; D211-C215 PolarHBondContact O-SG 3.21Å; Q212-C215 WeakPolarHBondContact O-CB 3.48Å; Q212-C215 PolarHBondContact O-N 3.3Å; K213-C215 VanDerWaalsContact C-N 3.35Å; C215-M217 VanDerWaalsContact C-N 3.33Å; C215-M217 PolarHBondContact O-N 3.41Å; C215-M218 CarbonylContact O-C 3.42Å; C215-M218 WeakPolarHBondContact O-CA 3.38Å; C215-M218 WeakPolarHBondContact O-CB 3.44Å; C215-M218 PolarHBondContact O-N 2.81Å; C215-M218 VanDerWaalsContact O-N 3.1Å; C215-V219 WeakPolarHBondContact O-CG2 3.27Å; C215-V219 PolarHBondContact O-N 2.86Å; C215-I232 HydrophobicContact CB-CG2 4.37Å; C215-V574 HydrophobicContact CB-CG1 4.23Å; C215-V574 HydrophobicContact CB-CG2 4.11Å
216Y92.1Very high92Very high104 Ų10452.3 Ų52.341%0.40824%0.235SC..Hα-helixtrans-65.7-32.9178.5-66-62.3000113.4Q212 K213 R214 M218 V219 H220 E496 V574Q212-Y216 HydrophobicContact CG-CD2 4.34Å; Q212-Y216 HydrophobicContact CG-CE2 3.65Å; Q212-Y216 PolarHBondContact NE2-OH 2.95Å; Q212-Y216 WeakPolarHBondContact O-CD2 3.39Å; Q212-Y216 PolarHBondContact O-N 3.39Å; K213-Y216 PolarHBondContact O-N 2.89Å; R214-Y216 VanDerWaalsContact C-N 3.35Å; R214-Y216 PolarHBondContact O-N 2.82Å; Y216-M218 VanDerWaalsContact C-N 3.31Å; Y216-V219 PolarHBondContact O-N 2.85Å; Y216-H220 PolarHBondContact O-N 2.92Å; Y216-E496 PolarHBondContact OH-OE1 3.46Å; Y216-V574 HydrophobicContact CD1-CG1 4.2Å; Y216-V574 HydrophobicContact CE1-CG1 3.96Å
217M90.5Very high91.8Very high120 Ų12052.5 Ų52.559%0.59124%0.237SC*.Hα-helixtrans-61.2-43.1170.6-65.5179.664.100111.1P168 K213 R214 C215 H220 Q221P168-M217 HydrophobicContact CB-CE 4.4Å; K213-M217 PolarHBondContact O-N 3.11Å; R214-M217 WeakPolarHBondContact O-CB 3.26Å; R214-M217 PolarHBondContact O-N 3.1Å; C215-M217 VanDerWaalsContact C-N 3.33Å; C215-M217 PolarHBondContact O-N 3.41Å; M217-H220 WeakPolarHBondContact O-CB 3.35Å; M217-H220 PolarHBondContact O-N 3.44Å; M217-Q221 PolarHBondContact O-N 3.08Å; M217-Q221 VanDerWaalsContact O-N 3.13Å
218M92.2Very high91.6Very high0 Ų052.5 Ų52.50%024%0.237CC..Hα-helixtrans-66.3-37.4176.2174.8168.560.700112.9A166 A167 P168 A207 R214 C215 Y216 H220 Q221 V222 I232A166-M218 HydrophobicContact CB-CE 4.03Å; A166-M218 HydrophobicContact CB-SD 3.4Å; A166-M218 WeakPolarHBondContact CB-SD 3.32Å; A167-M218 HydrophobicContact CB-CB 4.46Å; P168-M218 VanDerWaalsContact O-CA 3.29Å; P168-M218 WeakPolarHBondContact O-CA 3.46Å; A207-M218 HydrophobicContact CB-CE 4.06Å; A207-M218 HydrophobicContact CB-SD 3.58Å; A207-M218 VanDerWaalsContact CB-SD 3.58Å; R214-M218 PolarHBondContact O-N 3.49Å; R214-M218 VanDerWaalsContact O-N 3.08Å; C215-M218 CarbonylContact O-C 3.42Å; C215-M218 WeakPolarHBondContact O-CA 3.38Å; C215-M218 WeakPolarHBondContact O-CB 3.44Å; C215-M218 PolarHBondContact O-N 2.81Å; C215-M218 VanDerWaalsContact O-N 3.1Å; Y216-M218 VanDerWaalsContact C-N 3.31Å; M218-H220 VanDerWaalsContact C-N 3.27Å; M218-H220 PolarHBondContact O-N 3.29Å; M218-Q221 PolarHBondContact O-N 3.23Å; M218-V222 HydrophobicContact CG-CG2 4Å; M218-V222 WeakPolarHBondContact O-CB 3.2Å; M218-V222 WeakPolarHBondContact O-CG2 3.47Å; M218-V222 PolarHBondContact O-N 3.27Å; M218-I232 HydrophobicContact CE-CB 4.48Å; M218-I232 HydrophobicContact CE-CG1 4.31Å; M218-I232 HydrophobicContact CE-CG2 3.5Å; M218-I232 HydrophobicContact CG-CD1 4.09Å; M218-I232 HydrophobicContact CG-CG1 4.5Å
219V92.2Very high91.5Very high30 Ų3052.4 Ų52.418%0.18224%0.236CC..Hα-helixtrans-54.7-47.2172.11730000110.1C215 Y216 K223 I232 V574C215-V219 WeakPolarHBondContact O-CG2 3.27Å; C215-V219 PolarHBondContact O-N 2.86Å; Y216-V219 PolarHBondContact O-N 2.85Å; V219-K223 WeakPolarHBondContact O-CB 3.48Å; V219-K223 PolarHBondContact O-N 2.67Å; V219-I232 HydrophobicContact CB-CD1 4.16Å; V219-I232 HydrophobicContact CG2-CD1 3.6Å; V219-V574 HydrophobicContact CG2-CG1 4.09Å
220H88.3Confident91.5Very high106 Ų10652.5 Ų52.549%0.49124%0.237SC..Hα-helixtrans-63.2-43.1178.9-171.8-103.8000112.7Y216 M217 M218 R224Y216-H220 PolarHBondContact O-N 2.92Å; M217-H220 WeakPolarHBondContact O-CB 3.35Å; M217-H220 PolarHBondContact O-N 3.44Å; M218-H220 VanDerWaalsContact C-N 3.27Å; M218-H220 PolarHBondContact O-N 3.29Å; H220-R224 PolarHBondContact CE1-NH2 3.1Å; H220-R224 PolarHBondContact ND1-NH2 2.85Å
221Q87.5Confident91.6Very high36 Ų3645.9 Ų45.917%0.16821%0.208CC..Hα-helixtrans-64-49.2179.8-173.766.435.100111.9A173 M217 M218A173-Q221 HydrophobicContact CB-CG 4.35Å; M217-Q221 PolarHBondContact O-N 3.08Å; M217-Q221 VanDerWaalsContact O-N 3.13Å; M218-Q221 PolarHBondContact O-N 3.23Å
222V87.9Confident91.7Very high5 Ų542.8 Ų42.83%0.0319%0.191CC..Hα-helixtrans-74.5-33.8-175.3172.20000111.7M218 R224 L225 V230 I232M218-V222 HydrophobicContact CG-CG2 4Å; M218-V222 WeakPolarHBondContact O-CB 3.2Å; M218-V222 WeakPolarHBondContact O-CG2 3.47Å; M218-V222 PolarHBondContact O-N 3.27Å; V222-R224 PolarHBondContact O-N 2.85Å; V222-R224 VanDerWaalsContact O-N 3.12Å; V222-L225 WeakPolarHBondContact O-CB 3.49Å; V222-L225 PolarHBondContact O-N 2.72Å; V222-V230 HydrophobicContact CG1-CB 4.13Å; V222-V230 HydrophobicContact CG1-CG1 3.61Å; V222-V230 HydrophobicContact CG1-CG2 3.7Å; V222-I232 HydrophobicContact CB-CD1 4.47Å
223K87.4Confident91.9Very high91 Ų9139.2 Ų39.240%0.39618%0.175SC..Hα-helixtrans-56.2-31.7-179.8-176.7-177.4-177.1-135.50112.6V219 L225 Q226 D597V219-K223 WeakPolarHBondContact O-CB 3.48Å; V219-K223 PolarHBondContact O-N 2.67Å; K223-L225 PolarHBondContact O-N 3.37Å; K223-Q226 PolarHBondContact O-N 3.39Å; K223-D597 WeakPolarHBondContact CE-OD2 3.49Å; K223-D597 IonicContact NZ-OD1 2.95Å; K223-D597 IonicContact NZ-OD2 3.81Å; K223-D597 PolarHBondContact NZ-OD2 3.49Å
224R86Confident92.1Very high29 Ų2932.9 Ų32.911%0.10915%0.148CC..THydrogen-bonded Turntrans-63.9-24179.1-64.8172.5177.9176-3.8113.6R60 T134 E135 H220 V222 Q226R60-R224 PolarHBondContact NH2-O 2.86Å; T134-R224 WeakPolarHBondContact O-CD 3.47Å; T134-R224 PolarHBondContact O-NH1 2.85Å; E135-R224 IonicContact OE1-CZ 3Å; E135-R224 IonicContact OE1-NH2 3.01Å; E135-R224 PolarHBondContact OE1-NH2 2.79Å; E135-R224 IonicContact OE2-CZ 2.86Å; E135-R224 IonicContact OE2-NH2 2.88Å; E135-R224 PolarHBondContact OE2-NH2 3Å; H220-R224 PolarHBondContact CE1-NH2 3.1Å; H220-R224 PolarHBondContact ND1-NH2 2.85Å; V222-R224 PolarHBondContact O-N 2.85Å; V222-R224 VanDerWaalsContact O-N 3.12Å; R224-Q226 VanDerWaalsContact C-N 3.3Å
225L87.7Confident92.3Very high2 Ų230.2 Ų30.21%0.0114%0.139CC..THydrogen-bonded Turntrans-80.3-10.9176-58.1-179.6000113.1T57 F59 A173 V176 E177 V222 K223 S227T57-L225 HydrophobicContact CG2-CD2 3.98Å; F59-L225 HydrophobicContact CE1-CD2 4.35Å; F59-L225 HydrophobicContact CZ-CB 4.46Å; F59-L225 WeakPolarHBondContact CZ-O 3.21Å; A173-L225 HydrophobicContact CB-CD1 3.72Å; A173-L225 VanDerWaalsContact O-CD1 3.29Å; A173-L225 WeakPolarHBondContact O-CD1 3.35Å; V176-L225 HydrophobicContact CB-CD1 3.87Å; V176-L225 HydrophobicContact CG1-CB 4.43Å; V176-L225 HydrophobicContact CG1-CD1 3.87Å; E177-L225 HydrophobicContact CG-CD1 3.81Å; E177-L225 HydrophobicContact CG-CD2 3.77Å; E177-L225 HydrophobicContact CG-CG 4.42Å; E177-L225 WeakPolarHBondContact OE1-CD2 3.35Å; V222-L225 WeakPolarHBondContact O-CB 3.49Å; V222-L225 PolarHBondContact O-N 2.72Å; K223-L225 PolarHBondContact O-N 3.37Å; L225-S227 PolarHBondContact O-N 3.41Å
226Q89.3Confident92.4Very high15 Ų1532.8 Ų32.87%0.0715%0.153CC..  trans55.227.7173.3-58.6-178-13.200114.3K223 R224 V578 Q596 D597K223-Q226 PolarHBondContact O-N 3.39Å; R224-Q226 VanDerWaalsContact C-N 3.3Å; Q226-V578 HydrophobicContact CB-CG2 4.09Å; Q226-V578 WeakPolarHBondContact O-CG2 2.99Å; Q226-Q596 PolarHBondContact NE2-O 2.91Å; Q226-D597 WeakPolarHBondContact CB-O 3.27Å; Q226-D597 WeakPolarHBondContact CG-O 3.35Å
227S93.4Very high92.7Very high4 Ų428.2 Ų28.23%0.02814%0.137CC..  trans-86.7133.8-172.8174.90000112.5V176 H180 L225 C229V176-S227 WeakPolarHBondContact CG1-OG 3.37Å; H180-S227 WeakPolarHBondContact NE2-CB 3.48Å; H180-S227 PolarHBondContact NE2-OG 3.4Å; L225-S227 PolarHBondContact O-N 3.41Å; S227-C229 PolarHBondContact O-N 3.19Å; S227-C229 PolarHBondContact OG-N 2.93Å; S227-C229 VanDerWaalsContact OG-N 3.14Å
228P94.7Very high93Very high0 Ų023.8 Ų23.80%012%0.117CC..SBendtrans-78.5-5.6171.832.8-34000113.5Y198 E200 Y554 T555 N556 I559 V578 V601Y198-P228 VanDerWaalsContact OH-CD 3.29Å; Y198-P228 WeakPolarHBondContact OH-CD 3.34Å; Y198-P228 WeakPolarHBondContact OH-CG 3.42Å; E200-P228 HydrophobicContact CG-CG 4.34Å; P228-Y554 HydrophobicContact CB-CD1 3.72Å; P228-Y554 HydrophobicContact CB-CE1 3.98Å; P228-Y554 HydrophobicContact CG-CD1 4.41Å; P228-Y554 HydrophobicContact CG-CE1 4.34Å; P228-T555 WeakPolarHBondContact O-CA 3.31Å; P228-N556 PolarHBondContact O-N 3.35Å; P228-N556 VanDerWaalsContact O-N 3.11Å; P228-I559 WeakPolarHBondContact O-CD1 3.25Å; P228-V578 HydrophobicContact CB-CG1 4.22Å; P228-V601 HydrophobicContact CG-CG2 4.32Å
229C96.2Very high93.2Very high0 Ų026.1 Ų26.10%013%0.133CC..SBendtrans-102.126.2-170.2-50.10000113.3L179 P201 M204 V205 S227 N556L179-C229 HydrophobicContact CD2-CB 3.69Å; P201-C229 PolarHBondContact O-SG 3.08Å; M204-C229 CarbonylContact C-O 3.58Å; M204-C229 WeakPolarHBondContact CA-O 3.17Å; V205-C229 PolarHBondContact N-O 3.21Å; S227-C229 PolarHBondContact O-N 3.19Å; S227-C229 PolarHBondContact OG-N 2.93Å; S227-C229 VanDerWaalsContact OG-N 3.14Å; C229-N556 PolarHBondContact SG-ND2 2.85Å
230V96.7Very high93.4Very high10 Ų1024.7 Ų24.76%0.06112%0.124CC..EExtended strand (participates in β ladder)trans-127.4137.1-177.469.40000113.8V176 V205 V222 T576 G577V176-V230 HydrophobicContact CG2-CB 4.09Å; V176-V230 HydrophobicContact CG2-CG2 4.06Å; V205-V230 HydrophobicContact CB-CG2 4.44Å; V205-V230 WeakPolarHBondContact O-CA 3.4Å; V222-V230 HydrophobicContact CG1-CB 4.13Å; V222-V230 HydrophobicContact CG1-CG1 3.61Å; V222-V230 HydrophobicContact CG1-CG2 3.7Å; V230-T576 WeakPolarHBondContact O-CA 3.24Å; V230-T576 PolarHBondContact O-OG1 2.67Å; V230-G577 PolarHBondContact O-N 3.32Å
231V96.8Very high93.7Very high0 Ų021.5 Ų21.50%011%0.112CC..EExtended strand (participates in β ladder)trans-125.8125.5174-170.20000108.8V205 I206 A207 T233 I559 M562 I573V205-V231 PolarHBondContact O-N 3.09Å; I206-V231 CarbonylContact C-O 3.57Å; I206-V231 WeakPolarHBondContact CA-O 3.42Å; I206-V231 HydrophobicContact CG1-CB 4.38Å; A207-V231 PolarHBondContact N-O 2.86Å; V231-T233 HydrophobicContact CG1-CG2 4.02Å; V231-I559 HydrophobicContact CG2-CB 4.32Å; V231-I559 HydrophobicContact CG2-CD1 3.62Å; V231-I559 HydrophobicContact CG2-CG1 3.67Å; V231-I559 HydrophobicContact CG2-CG2 3.71Å; V231-M562 HydrophobicContact CG1-CE 4.4Å; V231-M562 HydrophobicContact CG2-CE 4.47Å; V231-I573 HydrophobicContact CG1-CD1 4.45Å; V231-I573 HydrophobicContact CG1-CG1 4.29Å; V231-I573 HydrophobicContact CG1-CG2 3.97Å
232I96.8Very high94Very high4 Ų421.2 Ų21.22%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-100.4122.2173.2-63.9170.9000108.9A207 C215 M218 V219 V222 I573 V574 S575A207-I232 HydrophobicContact CB-CG1 4.43Å; A207-I232 WeakPolarHBondContact O-CA 3.34Å; C215-I232 HydrophobicContact CB-CG2 4.37Å; M218-I232 HydrophobicContact CE-CB 4.48Å; M218-I232 HydrophobicContact CE-CG1 4.31Å; M218-I232 HydrophobicContact CE-CG2 3.5Å; M218-I232 HydrophobicContact CG-CD1 4.09Å; M218-I232 HydrophobicContact CG-CG1 4.5Å; V219-I232 HydrophobicContact CB-CD1 4.16Å; V219-I232 HydrophobicContact CG2-CD1 3.6Å; V222-I232 HydrophobicContact CB-CD1 4.47Å; I232-I573 CarbonylContact O-C 3.59Å; I232-V574 HydrophobicContact CG2-CB 3.98Å; I232-V574 HydrophobicContact CG2-CG2 4.44Å; I232-V574 PolarHBondContact O-N 3.36Å; I232-S575 PolarHBondContact N-O 3.19Å
233T96.5Very high94.3Very high0 Ų021.2 Ų21.20%011%0.11CC..EExtended strand (participates in β ladder)trans-117.2154.6-178.954.20000111.3I206 A207 N208 D209 V231 L571 K572I206-T233 HydrophobicContact CG2-CG2 3.95Å; A207-T233 PolarHBondContact O-N 3.42Å; N208-T233 WeakPolarHBondContact CA-O 3.3Å; N208-T233 WeakPolarHBondContact CB-OG1 3.22Å; N208-T233 PolarHBondContact OD1-O 3.33Å; N208-T233 PolarHBondContact OD1-OG1 3.29Å; D209-T233 PolarHBondContact N-O 3.09Å; V231-T233 HydrophobicContact CG1-CG2 4.02Å; T233-L571 HydrophobicContact CG2-CD1 4.05Å; T233-L571 HydrophobicContact CG2-CD2 4.49Å; T233-L571 HydrophobicContact CG2-CG 4.4Å; T233-K572 CarbonylContact C-O 3.58Å; T233-K572 VanDerWaalsContact CA-O 3.29Å; T233-K572 WeakPolarHBondContact CA-O 3.36Å
234Q95.8Very high94.6Very high35 Ų3517 Ų1716%0.1649%0.091CC..  trans-122.283.3175-170.8-158.5-17.300111.4D209 F210 K572 V574D209-Q234 VanDerWaalsContact O-CA 3.26Å; D209-Q234 WeakPolarHBondContact O-CA 2.91Å; D209-Q234 WeakPolarHBondContact O-CG 3.46Å; F210-Q234 PolarHBondContact O-NE2 3.14Å; Q234-K572 HydrophobicContact CB-CB 4.49Å; Q234-K572 HydrophobicContact CB-CD 4.05Å; Q234-K572 HydrophobicContact CB-CG 4.2Å; Q234-K572 PolarHBondContact N-O 3.5Å; Q234-V574 HydrophobicContact CB-CG2 3.74Å
235E96.3Very high94.9Very high43 Ų4317 Ų1720%0.2019%0.093CC..  trans-131.1159.7-179.2-59.9-61.8162.800111.9N208 A237 F240 P241 L571 K572N208-E235 PolarHBondContact ND2-O 2.73Å; N208-E235 WeakPolarHBondContact OD1-CA 3.29Å; N208-E235 WeakPolarHBondContact OD1-CB 3.3Å; N208-E235 PolarHBondContact OD1-N 2.78Å; N208-E235 PolarHBondContact OD1-O 2.98Å; E235-A237 PolarHBondContact O-N 2.93Å; E235-F240 HydrophobicContact CB-CD2 3.82Å; E235-F240 HydrophobicContact CB-CE2 4.08Å; E235-F240 HydrophobicContact CG-CD2 4.45Å; E235-F240 HydrophobicContact CG-CE2 4.3Å; E235-P241 HydrophobicContact CG-CG 4.08Å; E235-L571 HydrophobicContact CG-CD1 4.11Å; E235-K572 PolarHBondContact OE1-N 2.93Å
236D96.8Very high95Very high54 Ų5418 Ų1829%0.28910%0.099SC..  trans-75.1117.2173-177.2-25.4000109.9F210 T238 C239 F240F210-D236 HydrophobicContact CD2-CB 3.91Å; F210-D236 HydrophobicContact CE2-CB 4.17Å; D236-T238 VanDerWaalsContact CG-OG1 3.3Å; D236-T238 PolarHBondContact O-N 2.95Å; D236-T238 VanDerWaalsContact O-N 3.14Å; D236-T238 WeakPolarHBondContact OD1-CB 3.34Å; D236-T238 PolarHBondContact OD1-N 3.18Å; D236-T238 PolarHBondContact OD1-OG1 2.78Å; D236-T238 PolarHBondContact OD2-OG1 3.47Å; D236-C239 CarbonylContact O-C 3.57Å; D236-C239 VanDerWaalsContact O-C 3.23Å; D236-C239 PolarHBondContact O-N 3.03Å; D236-F240 WeakPolarHBondContact O-CA 3.21Å; D236-F240 PolarHBondContact O-N 3.06Å
237A97.9Very high94.7Very high8 Ų821.7 Ų21.77%0.06612%0.119CC..G310 helixtrans-57.5-28.2-178.300000113.8L164 E235 C239 I303 R306L164-A237 HydrophobicContact CB-CB 4.22Å; L164-A237 HydrophobicContact CD2-CB 4.46Å; L164-A237 WeakPolarHBondContact O-CB 3.42Å; E235-A237 PolarHBondContact O-N 2.93Å; A237-C239 PolarHBondContact O-N 3.41Å; A237-I303 HydrophobicContact CB-CD1 4.3Å; A237-I303 HydrophobicContact CB-CG1 4.04Å; A237-I303 HydrophobicContact CB-CG2 4.22Å; A237-R306 WeakPolarHBondContact O-CG 3.35Å
238T97.7Very high93.5Very high28 Ų2824 Ų2417%0.17214%0.135CC..G310 helixtrans-71.3-20.117967.80000113.1D236 L299 R302 I303D236-T238 VanDerWaalsContact CG-OG1 3.3Å; D236-T238 PolarHBondContact O-N 2.95Å; D236-T238 VanDerWaalsContact O-N 3.14Å; D236-T238 WeakPolarHBondContact OD1-CB 3.34Å; D236-T238 PolarHBondContact OD1-N 3.18Å; D236-T238 PolarHBondContact OD1-OG1 2.78Å; D236-T238 PolarHBondContact OD2-OG1 3.47Å; T238-L299 HydrophobicContact CG2-CD1 3.35Å; T238-R302 HydrophobicContact CG2-CB 3.99Å; T238-I303 HydrophobicContact CG2-CG1 3.84Å
239C95.6Very high91.7Very high49 Ų4928.7 Ų28.733%0.33117%0.166SC..G310 helixtrans-139.735.2178.966.50000111.6D236 A237D236-C239 CarbonylContact O-C 3.57Å; D236-C239 VanDerWaalsContact O-C 3.23Å; D236-C239 PolarHBondContact O-N 3.03Å; A237-C239 PolarHBondContact O-N 3.41Å
240F97Very high89.6Confident0 Ų032 Ų320%018%0.183CC..PPolyproline II helixtrans-52.3128.3-179.4-175.7-87.3000109.4L162 L164 I206 N208 E235 D236 L243 R306 L310L162-F240 HydrophobicContact CD1-CD1 4.44Å; L162-F240 HydrophobicContact CD1-CE1 3.97Å; L162-F240 HydrophobicContact CD1-CE2 4.13Å; L162-F240 HydrophobicContact CD1-CZ 3.8Å; L162-F240 HydrophobicContact CD2-CD1 4.02Å; L162-F240 HydrophobicContact CD2-CE1 4.18Å; L162-F240 HydrophobicContact CD2-CG 4.47Å; L164-F240 HydrophobicContact CD2-CB 4.08Å; L164-F240 HydrophobicContact CD2-CG 4.35Å; I206-F240 HydrophobicContact CG2-CZ 4.05Å; N208-F240 HydrophobicContact CB-CD2 4.04Å; N208-F240 HydrophobicContact CB-CE2 3.71Å; E235-F240 HydrophobicContact CB-CD2 3.82Å; E235-F240 HydrophobicContact CB-CE2 4.08Å; E235-F240 HydrophobicContact CG-CD2 4.45Å; E235-F240 HydrophobicContact CG-CE2 4.3Å; D236-F240 WeakPolarHBondContact O-CA 3.21Å; D236-F240 PolarHBondContact O-N 3.06Å; F240-L243 HydrophobicContact CE1-CD1 4.11Å; F240-L243 HydrophobicContact CE1-CG 4.36Å; F240-L243 HydrophobicContact CZ-CD1 4.39Å; F240-R306 PolarHBondContact O-NE 2.95Å; F240-R306 PolarHBondContact O-NH2 3.11Å; F240-L310 HydrophobicContact CB-CD1 4.08Å; F240-L310 HydrophobicContact CD1-CD1 3.78Å; F240-L310 HydrophobicContact CG-CD1 4.31Å
241P94.9Very high87.5Confident38 Ų3840.3 Ų40.325%0.24722%0.222CC..PPolyproline II helixtrans-64.9157.4-166.326-35.3000113E235 L243 L571E235-P241 HydrophobicContact CG-CG 4.08Å; P241-L243 HydrophobicContact CG-CD2 4.46Å; P241-L571 HydrophobicContact CG-CD1 3.89Å
242R93.2Very high85.2Confident31 Ų3149.6 Ų49.612%0.11726%0.262CS..PPolyproline II helixtrans-74.5131.9167.6-64.8-174.4-175.41053.8108.5Y244 Q260 D473 F476R242-Y244 HydrophobicContact CB-CE2 3.89Å; R242-Q260 HydrophobicContact CB-CG 4.47Å; R242-D473 WeakPolarHBondContact CD-OD1 3.42Å; R242-D473 IonicContact CZ-OD1 3.03Å; R242-D473 PolarHBondContact NH1-O 3.36Å; R242-D473 IonicContact NH1-OD1 3.84Å; R242-D473 PolarHBondContact NH1-OD1 3.45Å; R242-F476 PolarHBondContact NH2-O 3.4Å; R242-F476 VanDerWaalsContact NH2-O 3.09Å
243L94.6Very high83.1Confident4 Ų453.7 Ų53.72%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-105.2155.3177.4-58.6-177.3000109.5I206 F240 P241 Q260 L261 F263 M562 L571I206-L243 HydrophobicContact CD1-CD1 3.53Å; F240-L243 HydrophobicContact CE1-CD1 4.11Å; F240-L243 HydrophobicContact CE1-CG 4.36Å; F240-L243 HydrophobicContact CZ-CD1 4.39Å; P241-L243 HydrophobicContact CG-CD2 4.46Å; L243-Q260 CarbonylContact O-C 3.59Å; L243-Q260 WeakPolarHBondContact O-CA 3.15Å; L243-L261 HydrophobicContact CB-CB 4.06Å; L243-L261 HydrophobicContact CB-CD2 3.94Å; L243-L261 HydrophobicContact CD1-CD2 4.14Å; L243-L261 PolarHBondContact O-N 3.01Å; L243-F263 HydrophobicContact CD1-CZ 4.3Å; L243-M562 HydrophobicContact CD1-CG 4.38Å; L243-M562 HydrophobicContact CD1-SD 3.84Å; L243-L571 HydrophobicContact CD2-CD1 4.01Å; L243-L571 HydrophobicContact CD2-CD2 3.75Å; L243-L571 HydrophobicContact CD2-CG 4.38Å
244Y92.9Very high81.2Confident3 Ų356.8 Ų56.81%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-131.9152.6-176.2-64.2-100000111.7R242 L258 R259 Q260 I469 T565 N566 R569R242-Y244 HydrophobicContact CB-CE2 3.89Å; Y244-L258 HydrophobicContact CD1-CB 4.48Å; Y244-R259 CarbonylContact C-O 3.57Å; Y244-R259 VanDerWaalsContact CA-O 3.25Å; Y244-R259 WeakPolarHBondContact CA-O 3.39Å; Y244-Q260 HydrophobicContact CD1-CB 4.28Å; Y244-Q260 HydrophobicContact CE1-CB 4.08Å; Y244-I469 HydrophobicContact CD1-CD1 4.41Å; Y244-I469 HydrophobicContact CE1-CD1 4.4Å; Y244-I469 HydrophobicContact CE2-CG2 4.17Å; Y244-T565 WeakPolarHBondContact O-CB 3.33Å; Y244-T565 WeakPolarHBondContact O-CG2 3.2Å; Y244-N566 PolarHBondContact N-ND2 3.34Å; Y244-N566 PolarHBondContact N-OD1 2.95Å; Y244-N566 VanDerWaalsContact N-OD1 3.1Å; Y244-N566 PolarHBondContact O-ND2 2.94Å; Y244-R569 VanDerWaalsContact CG-NH1 3.31Å
245L92.7Very high79.5Confident29 Ų2960.2 Ų60.215%0.15234%0.336CS..EExtended strand (participates in β ladder)trans-120.1149.4172.1-59.1176.6000109.2L258 R259 L261 L558 N561 M562L245-L258 WeakPolarHBondContact O-CA 3.4Å; L245-R259 PolarHBondContact N-O 3.19Å; L245-R259 PolarHBondContact O-N 3.34Å; L245-L261 HydrophobicContact CD1-CD1 3.97Å; L245-L261 HydrophobicContact CG-CB 4.23Å; L245-L261 HydrophobicContact CG-CD1 4.37Å; L245-L558 HydrophobicContact CD1-CD1 3.84Å; L245-L558 HydrophobicContact CD2-CD1 4.05Å; L245-N561 HydrophobicContact CD2-CB 4.31Å; L245-M562 HydrophobicContact CD2-CB 3.84Å; L245-M562 HydrophobicContact CD2-CG 4.5Å
246T90.5Very high78.1Confident22 Ų2263 Ų6314%0.13535%0.347CS..EExtended strand (participates in β ladder)trans-86.4126.1168.3-56.30000109.2K256 L258 N561 T565T246-K256 HydrophobicContact CG2-CB 4.31Å; T246-K256 HydrophobicContact CG2-CD 4.5Å; T246-K256 HydrophobicContact CG2-CG 4.47Å; T246-L258 WeakPolarHBondContact OG1-CD2 3.34Å; T246-N561 PolarHBondContact N-OD1 3.05Å; T246-N561 PolarHBondContact O-ND2 3.18Å; T246-T565 PolarHBondContact N-OG1 3.36Å; T246-T565 PolarHBondContact OG1-OG1 3.06Å
247L81.7Confident77.4Confident93 Ų9363.2 Ų63.249%0.48735%0.348SS..EExtended strand (participates in β ladder)trans-85.6-42.6-178.9-70.3175.2000112.6D257 R259 P463L247-D257 PolarHBondContact N-O 2.84Å; L247-R259 HydrophobicContact CD1-CB 3.87Å; L247-R259 HydrophobicContact CD2-CB 4.02Å; L247-R259 HydrophobicContact CG-CB 3.86Å; L247-P463 HydrophobicContact CD1-CG 4.49Å
248S68.6Low76.8Confident52 Ų5262.9 Ų62.936%0.36435%0.345SS..EExtended strand (participates in β ladder)trans-143.8128.8174.747.90000108.6D250S248-D250 PolarHBondContact O-N 3.41Å; S248-D250 VanDerWaalsContact O-N 3.16Å
249P55.9Low76.4Confident100 Ų10066.3 Ų66.365%0.64936%0.355SS*.  trans-74.297.6162.327.8-26.5000107.4E251P249-E251 PolarHBondContact O-N 2.84Å; P249-E251 VanDerWaalsContact O-N 3.09Å
250D52.2Low76.2Confident68 Ų6864.7 Ų64.736%0.36434%0.343SS..  trans-74.397167.3-172.211.1000108.7S248 K252 T253 G254S248-D250 PolarHBondContact O-N 3.41Å; S248-D250 VanDerWaalsContact O-N 3.16Å; D250-K252 PolarHBondContact O-N 3.07Å; D250-K252 PolarHBondContact OD1-N 3.27Å; D250-T253 WeakPolarHBondContact OD2-CG2 3.34Å; D250-T253 PolarHBondContact OD2-OG1 3.26Å; D250-G254 PolarHBondContact O-N 3.22Å
251E52.6Low76.1Confident186 Ų18665 Ų6587%0.86934%0.344SS*.THydrogen-bonded Turntrans-62.5-21.4179.8-67-176.9170.100112.6P249P249-E251 PolarHBondContact O-N 2.84Å; P249-E251 VanDerWaalsContact O-N 3.09Å
252K48.8Very low76.1Confident195 Ų19564.5 Ų64.585%0.84834%0.339SS*.THydrogen-bonded Turntrans-85-31.6-172-65.9-175.2-179.4179.20114.2D250D250-K252 PolarHBondContact O-N 3.07Å; D250-K252 PolarHBondContact OD1-N 3.27Å
253T52.3Low76.4Confident89 Ų8963.1 Ų63.155%0.54633%0.334SS..THydrogen-bonded Turntrans-110-12-175610000113.4D250 Q255D250-T253 WeakPolarHBondContact OD2-CG2 3.34Å; D250-T253 PolarHBondContact OD2-OG1 3.26Å; T253-Q255 PolarHBondContact O-N 3.19Å; T253-Q255 PolarHBondContact OG1-N 3.48Å
254G57.4Low76.5Confident66 Ų6663.6 Ų63.668%0.6834%0.336SS*.  trans66.3-0.5-17400000113.8D250D250-G254 PolarHBondContact O-N 3.22Å
255Q59.5Low76.8Confident107 Ų10763.5 Ų63.550%0.534%0.336SS..  trans-88.4111.1179.2-170.1173.2-3200108.7T253T253-Q255 PolarHBondContact O-N 3.19Å; T253-Q255 PolarHBondContact OG1-N 3.48Å
256K68.3Low77.1Confident100 Ų10062.1 Ų62.144%0.43533%0.329SS..  trans-80.7121.7176.1-64.5-178.4-178.3179.10109.5T246 L258T246-K256 HydrophobicContact CG2-CB 4.31Å; T246-K256 HydrophobicContact CG2-CD 4.5Å; T246-K256 HydrophobicContact CG2-CG 4.47Å; K256-L258 HydrophobicContact CB-CD2 3.97Å; K256-L258 HydrophobicContact CB-CG 4.39Å; K256-L258 PolarHBondContact O-N 3.14Å
257D80.5Confident77.5Confident60 Ų6061.1 Ų61.132%0.32132%0.322SS..EExtended strand (participates in β ladder)trans-73.3113166.8-81.3-20.3000109.1L247 P463L247-D257 PolarHBondContact N-O 2.84Å; D257-P463 HydrophobicContact CB-CB 4.11Å
258L86Confident78.3Confident1 Ų156.7 Ų56.71%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-106143.2-178-58.7-175.8000111.9Y244 L245 T246 K256 P463 V464 N466 I469 T565Y244-L258 HydrophobicContact CD1-CB 4.48Å; L245-L258 WeakPolarHBondContact O-CA 3.4Å; T246-L258 WeakPolarHBondContact OG1-CD2 3.34Å; K256-L258 HydrophobicContact CB-CD2 3.97Å; K256-L258 HydrophobicContact CB-CG 4.39Å; K256-L258 PolarHBondContact O-N 3.14Å; L258-P463 WeakPolarHBondContact O-CA 3.34Å; L258-V464 WeakPolarHBondContact CB-O 3.49Å; L258-V464 PolarHBondContact N-O 3.25Å; L258-V464 VanDerWaalsContact N-O 3.11Å; L258-V464 PolarHBondContact O-N 3.11Å; L258-N466 WeakPolarHBondContact CD1-OD1 3.45Å; L258-I469 HydrophobicContact CB-CD1 4.42Å; L258-I469 HydrophobicContact CD1-CD1 3.35Å; L258-I469 HydrophobicContact CG-CD1 4.47Å; L258-T565 HydrophobicContact CD1-CG2 4.41Å; L258-T565 HydrophobicContact CD2-CG2 3.68Å
259R88.9Confident79.7Confident100 Ų10055.8 Ų55.838%0.37729%0.29SS..EExtended strand (participates in β ladder)trans-121.3138.6171.4-174.3-179.8177.6-178.84.6109.6Y244 L245 L247 L261 E461Y244-R259 CarbonylContact C-O 3.57Å; Y244-R259 VanDerWaalsContact CA-O 3.25Å; Y244-R259 WeakPolarHBondContact CA-O 3.39Å; L245-R259 PolarHBondContact N-O 3.19Å; L245-R259 PolarHBondContact O-N 3.34Å; L247-R259 HydrophobicContact CD1-CB 3.87Å; L247-R259 HydrophobicContact CD2-CB 4.02Å; L247-R259 HydrophobicContact CG-CB 3.86Å; R259-L261 PolarHBondContact O-N 2.93Å; R259-E461 IonicContact NH2-OE1 2.93Å
260Q91.8Very high81.7Confident14 Ų1451.2 Ų51.27%0.06526%0.261CS..EExtended strand (participates in β ladder)trans-63.9128.4170.4-173.8-175.5-20.400109.6R242 L243 Y244 M262R242-Q260 HydrophobicContact CB-CG 4.47Å; L243-Q260 CarbonylContact O-C 3.59Å; L243-Q260 WeakPolarHBondContact O-CA 3.15Å; Y244-Q260 HydrophobicContact CD1-CB 4.28Å; Y244-Q260 HydrophobicContact CE1-CB 4.08Å; Q260-M262 HydrophobicContact CG-SD 4.07Å; Q260-M262 PolarHBondContact NE2-SD 3.08Å; Q260-M262 PolarHBondContact O-N 3.21Å
261L94.6Very high83.8Confident7 Ų750.5 Ų50.54%0.03726%0.26CS..EExtended strand (participates in β ladder)trans-69.6120.3167.4174.268000108.8T160 M204 I206 L243 L245 R259 F263 M562T160-L261 HydrophobicContact CG2-CD1 4.07Å; M204-L261 HydrophobicContact CE-CD1 3.9Å; M204-L261 HydrophobicContact CE-CD2 3.27Å; M204-L261 HydrophobicContact CE-CG 4.23Å; I206-L261 HydrophobicContact CD1-CD2 4.4Å; L243-L261 HydrophobicContact CB-CB 4.06Å; L243-L261 HydrophobicContact CB-CD2 3.94Å; L243-L261 HydrophobicContact CD1-CD2 4.14Å; L243-L261 PolarHBondContact O-N 3.01Å; L245-L261 HydrophobicContact CD1-CD1 3.97Å; L245-L261 HydrophobicContact CG-CB 4.23Å; L245-L261 HydrophobicContact CG-CD1 4.37Å; R259-L261 PolarHBondContact O-N 2.93Å; L261-F263 HydrophobicContact CD2-CE1 4.15Å; L261-F263 HydrophobicContact CD2-CZ 4.06Å; L261-F263 HydrophobicContact CG-CZ 4.49Å; L261-M562 HydrophobicContact CD2-CG 4.23Å
262M95.7Very high86Confident28 Ų2842.6 Ų42.614%0.13823%0.225CC..  trans-111.7146.9171.5-59.3-63.2-68.400108.7T160 Q260 L311 R312T160-M262 PolarHBondContact OG1-O 2.96Å; T160-M262 VanDerWaalsContact OG1-O 3.14Å; Q260-M262 HydrophobicContact CG-SD 4.07Å; Q260-M262 PolarHBondContact NE2-SD 3.08Å; Q260-M262 PolarHBondContact O-N 3.21Å; M262-L311 WeakPolarHBondContact CE-O 3.5Å; M262-R312 HydrophobicContact CB-CB 3.77Å; M262-R312 HydrophobicContact CB-CG 4.18Å
263F98.3Very high88.2Confident2 Ų234.1 Ų34.11%0.00919%0.19CC..BIsolated β-bridgetrans-94.8139.2-174.8-62.8-84.9000112.3T160 L162 I206 L243 L261 V266 L310 L311 R312T160-F263 WeakPolarHBondContact OG1-CA 3.42Å; L162-F263 HydrophobicContact CB-CD1 3.62Å; L162-F263 HydrophobicContact CB-CD2 4.03Å; L162-F263 HydrophobicContact CB-CE1 3.71Å; L162-F263 HydrophobicContact CB-CE2 4.11Å; L162-F263 HydrophobicContact CB-CG 3.77Å; L162-F263 HydrophobicContact CB-CZ 3.95Å; L162-F263 HydrophobicContact CD1-CZ 4.32Å; L162-F263 HydrophobicContact CD2-CD2 4.03Å; L162-F263 HydrophobicContact CD2-CE2 3.76Å; L162-F263 HydrophobicContact CD2-CZ 4.12Å; L162-F263 HydrophobicContact CG-CE2 4.44Å; L162-F263 HydrophobicContact CG-CZ 4.36Å; I206-F263 HydrophobicContact CD1-CE1 3.77Å; I206-F263 HydrophobicContact CD1-CZ 3.88Å; I206-F263 HydrophobicContact CG1-CE1 4.22Å; L243-F263 HydrophobicContact CD1-CZ 4.3Å; L261-F263 HydrophobicContact CD2-CE1 4.15Å; L261-F263 HydrophobicContact CD2-CZ 4.06Å; L261-F263 HydrophobicContact CG-CZ 4.49Å; F263-V266 HydrophobicContact CB-CG2 3.88Å; F263-L310 HydrophobicContact CD2-CB 3.99Å; F263-L310 HydrophobicContact CE2-CB 4.37Å; F263-L310 PolarHBondContact N-O 3.36Å; F263-L311 WeakPolarHBondContact O-CD1 3.31Å; F263-R312 WeakPolarHBondContact O-CB 3.19Å; F263-R312 PolarHBondContact O-N 2.83Å
264D98.1Very high90.3Very high13 Ų1330.3 Ų30.37%0.0717%0.168CC..SBendtrans-75.6-32.5172.4-58.1-68.2000111.5H159 T160 R312 S322 R323H159-D264 HydrophobicContact CB-CB 4.02Å; T160-D264 PolarHBondContact N-OD2 2.82Å; T160-D264 PolarHBondContact O-N 3.1Å; T160-D264 PolarHBondContact OG1-N 2.76Å; T160-D264 PolarHBondContact OG1-OD2 2.83Å; D264-R312 IonicContact OD1-CZ 2.84Å; D264-R312 VanDerWaalsContact OD1-CZ 3.25Å; D264-R312 IonicContact OD1-NE 3.84Å; D264-R312 PolarHBondContact OD1-NE 2.8Å; D264-R312 IonicContact OD1-NH1 3.37Å; D264-R312 PolarHBondContact OD1-NH1 2.95Å; D264-R312 IonicContact OD1-NH2 3.23Å; D264-S322 WeakPolarHBondContact O-CA 3.39Å; D264-S322 WeakPolarHBondContact O-CB 3.29Å; D264-R323 PolarHBondContact O-N 3.41Å; D264-R323 VanDerWaalsContact O-N 3.08Å
265R98.6Very high92.2Very high2 Ų227.1 Ų27.11%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-136.8132.5-176.2-61.5-58.6-178.9-102.610.5110.8L153 D154 H159 T160 I161 L162 Y321 R323L153-R265 HydrophobicContact CB-CG 4.48Å; L153-R265 HydrophobicContact CD1-CB 4.43Å; L153-R265 HydrophobicContact CD2-CB 4.06Å; L153-R265 WeakPolarHBondContact O-CD 3.49Å; L153-R265 PolarHBondContact O-NE 2.9Å; D154-R265 PolarHBondContact O-NE 2.83Å; D154-R265 PolarHBondContact O-NH2 2.95Å; H159-R265 HydrophobicContact CB-CG 4.38Å; H159-R265 PolarHBondContact CE1-NE 2.63Å; H159-R265 PolarHBondContact CE1-NH2 2.63Å; T160-R265 PolarHBondContact O-N 2.78Å; T160-R265 VanDerWaalsContact O-N 3.16Å; I161-R265 CarbonylContact C-O 3.56Å; I161-R265 VanDerWaalsContact CA-O 3.31Å; I161-R265 WeakPolarHBondContact CA-O 3.36Å; I161-R265 HydrophobicContact CB-CB 4.37Å; I161-R265 HydrophobicContact CG1-CB 4.09Å; I161-R265 HydrophobicContact CG2-CB 4.01Å; L162-R265 PolarHBondContact N-O 2.81Å; R265-Y321 PolarHBondContact NH1-O 3.48Å; R265-R323 VanDerWaalsContact CA-O 3.31Å; R265-R323 WeakPolarHBondContact CA-O 3.24Å
266V98.8Very high93.9Very high0 Ų022.1 Ų22.10%011%0.113CC..EExtended strand (participates in β ladder)trans-127.2126.9174.7177.40000109.9L162 L164 F263 L311 R323 L324 V325L162-V266 HydrophobicContact CB-CG2 4.33Å; L162-V266 CarbonylContact O-C 3.59Å; L162-V266 VanDerWaalsContact O-CA 3.3Å; L162-V266 WeakPolarHBondContact O-CA 3.41Å; L164-V266 HydrophobicContact CD1-CG1 3.71Å; L164-V266 HydrophobicContact CG-CG1 4.15Å; F263-V266 HydrophobicContact CB-CG2 3.88Å; V266-L311 HydrophobicContact CB-CD1 4.16Å; V266-L311 HydrophobicContact CG2-CB 4.43Å; V266-L311 HydrophobicContact CG2-CD1 3.64Å; V266-R323 PolarHBondContact N-O 3.48Å; V266-L324 HydrophobicContact CB-CB 4.26Å; V266-L324 HydrophobicContact CB-CD1 3.92Å; V266-L324 HydrophobicContact CB-CG 3.99Å; V266-L324 HydrophobicContact CG1-CD1 3.7Å; V266-L324 HydrophobicContact CG1-CG 4.05Å; V266-L324 CarbonylContact O-C 3.56Å; V266-L324 WeakPolarHBondContact O-CA 3.5Å; V266-V325 PolarHBondContact O-N 2.85Å
267L98.9Very high95.3Very high0 Ų017.9 Ų17.90%010%0.095CC..EExtended strand (participates in β ladder)trans-101.7124.5169.3-179.258.9000109.5P149 L153 L162 D163 L164 K171 L175 D269 V325P149-L267 HydrophobicContact CB-CD1 3.49Å; P149-L267 VanDerWaalsContact CB-CD1 3.49Å; L153-L267 HydrophobicContact CD1-CB 3.96Å; L162-L267 PolarHBondContact O-N 2.96Å; D163-L267 HydrophobicContact CB-CB 4.37Å; L164-L267 PolarHBondContact N-O 3.45Å; K171-L267 HydrophobicContact CB-CD2 3.77Å; K171-L267 HydrophobicContact CD-CD2 3.94Å; K171-L267 HydrophobicContact CG-CD2 4.48Å; L175-L267 HydrophobicContact CD1-CB 4.46Å; L175-L267 HydrophobicContact CD1-CD2 4.06Å; L267-D269 HydrophobicContact CG-CB 4.44Å; L267-V325 HydrophobicContact CD1-CB 4.06Å; L267-V325 HydrophobicContact CD1-CG1 3.99Å
268A98.6Very high96Very high0 Ų015 Ų150%08%0.08CC..EExtended strand (participates in β ladder)trans-118.171.3173.900000109.4L164 V270 I303 L324 V325 Y326 S327L164-A268 HydrophobicContact CD1-CB 4.21Å; A268-V270 VanDerWaalsContact C-N 3.29Å; A268-V270 HydrophobicContact CB-CG1 4.16Å; A268-V270 PolarHBondContact O-N 2.83Å; A268-V270 VanDerWaalsContact O-N 3.1Å; A268-I303 HydrophobicContact CB-CG2 4.4Å; A268-L324 HydrophobicContact CB-CD2 4.36Å; A268-V325 PolarHBondContact N-O 2.78Å; A268-Y326 HydrophobicContact CB-CD2 4.32Å; A268-S327 PolarHBondContact O-N 2.89Å
269D97.8Very high96.4Very high33 Ų3315.5 Ų15.518%0.1768%0.082CC..EExtended strand (participates in β ladder)trans-80.480.3169.5-169.146000109.1C165 K171 L267 S327C165-D269 WeakPolarHBondContact CB-O 3.34Å; K171-D269 HydrophobicContact CD-CB 4.08Å; K171-D269 VanDerWaalsContact CE-OD2 3.26Å; K171-D269 WeakPolarHBondContact CE-OD2 3.26Å; K171-D269 IonicContact NZ-OD1 3.62Å; K171-D269 IonicContact NZ-OD2 3.94Å; K171-D269 PolarHBondContact NZ-OD2 2.8Å; L267-D269 HydrophobicContact CG-CB 4.44Å; D269-S327 WeakPolarHBondContact CA-OG 3.49Å; D269-S327 PolarHBondContact OD1-OG 3.35Å
270V98.2Very high96.5Very high5 Ų514.3 Ų14.33%0.038%0.079CC..  trans-74.7152.9-162.9-63.90000112.6A268 C272 Q300 I303 Y326 S327 T328A268-V270 VanDerWaalsContact C-N 3.29Å; A268-V270 HydrophobicContact CB-CG1 4.16Å; A268-V270 PolarHBondContact O-N 2.83Å; A268-V270 VanDerWaalsContact O-N 3.1Å; V270-C272 PolarHBondContact O-N 2.82Å; V270-Q300 HydrophobicContact CB-CG 4.2Å; V270-Q300 HydrophobicContact CG2-CB 4.34Å; V270-Q300 HydrophobicContact CG2-CG 3.74Å; V270-I303 HydrophobicContact CB-CD1 4.37Å; V270-I303 HydrophobicContact CG1-CB 3.99Å; V270-I303 HydrophobicContact CG1-CD1 4.12Å; V270-I303 HydrophobicContact CG1-CG2 3.7Å; V270-Y326 HydrophobicContact CB-CE2 4.27Å; V270-Y326 HydrophobicContact CG1-CD2 4.12Å; V270-Y326 HydrophobicContact CG1-CE2 3.7Å; V270-Y326 HydrophobicContact CG2-CD2 4.42Å; V270-Y326 HydrophobicContact CG2-CE2 3.52Å; V270-Y326 WeakPolarHBondContact CG2-OH 3.39Å; V270-S327 PolarHBondContact N-O 2.95Å; V270-S327 VanDerWaalsContact N-O 3.13Å; V270-T328 HydrophobicContact CG2-CG2 3.8Å
271P96.7Very high96.5Very high53 Ų5317 Ų1734%0.3449%0.094SC..  trans-50.6132.1163.5-24.834.4000110.5L299 Q300P271-L299 HydrophobicContact CB-CD2 4.41Å; P271-L299 HydrophobicContact CG-CD2 4.5Å; P271-Q300 PolarHBondContact O-NE2 3.07Å
272C97.7Very high96.3Very high20 Ų2018.5 Ų18.514%0.13510%0.104CC..  trans-137.8164.5-172.3100.70000110.1V270 G274 C329 E335V270-C272 PolarHBondContact O-N 2.82Å; C272-G274 PolarHBondContact O-N 2.65Å; C272-G274 WeakPolarHBondContact SG-CA 3.39Å; C272-G274 PolarHBondContact SG-N 2.62Å; C272-C329 WeakPolarHBondContact CB-SG 3.47Å; C272-C329 WeakPolarHBondContact SG-CA 3.48Å; C272-C329 WeakPolarHBondContact SG-CB 3.45Å; C272-C329 PolarHBondContact SG-N 2.68Å; C272-C329 CovalentContact SG-SG 2.08Å; C272-C329 PolarHBondContact SG-SG 3Å; C272-E335 WeakPolarHBondContact CA-OE2 3.01Å
273S96.6Very high96.1Very high16 Ų1619.5 Ų19.511%0.11211%0.11CC..  trans-58.1-27.1173.362.40000112.9D275 S330 E335S273-D275 PolarHBondContact OG-OD2 3.37Å; S273-S330 PolarHBondContact OG-OG 3.2Å; S273-E335 WeakPolarHBondContact CB-OE1 3.15Å; S273-E335 PolarHBondContact N-OE2 2.84Å; S273-E335 PolarHBondContact OG-OE1 2.89Å; S273-E335 PolarHBondContact OG-OE2 2.75Å
274G96Very high95.9Very high9 Ų920.5 Ų20.59%0.09312%0.115CC..  trans82.114.5174.900000113.6C272 G276 T277 L284 C329C272-G274 PolarHBondContact O-N 2.65Å; C272-G274 WeakPolarHBondContact SG-CA 3.39Å; C272-G274 PolarHBondContact SG-N 2.62Å; G274-G276 PolarHBondContact O-N 3.2Å; G274-T277 WeakPolarHBondContact O-CA 3.34Å; G274-T277 WeakPolarHBondContact O-CB 3.25Å; G274-T277 WeakPolarHBondContact O-CG2 3.34Å; G274-T277 PolarHBondContact O-N 3.35Å; G274-T277 PolarHBondContact O-OG1 3.46Å; G274-L284 WeakPolarHBondContact O-CD2 3.36Å; G274-C329 CarbonylContact C-O 3.54Å
275D95.8Very high95.8Very high0 Ų019.9 Ų19.90%011%0.112CC..G310 helixtrans-68-17.6-174.754.230.8000115.2F24 Y28 S273 T277 L278 L284 W288 S330 F331F24-D275 HydrophobicContact CE2-CB 4.31Å; Y28-D275 PolarHBondContact OH-OD2 3.17Å; S273-D275 PolarHBondContact OG-OD2 3.37Å; D275-T277 PolarHBondContact O-N 3.21Å; D275-L278 WeakPolarHBondContact O-CD1 3.3Å; D275-L278 WeakPolarHBondContact O-CG 3.23Å; D275-L284 HydrophobicContact CB-CD2 4.36Å; D275-W288 VanDerWaalsContact CB-CD1 3.46Å; D275-W288 VanDerWaalsContact CB-NE1 3.32Å; D275-W288 PolarHBondContact OD2-NE1 3.28Å; D275-S330 VanDerWaalsContact CG-OG 3.31Å; D275-S330 WeakPolarHBondContact OD1-CA 3.4Å; D275-S330 VanDerWaalsContact OD1-CB 3.25Å; D275-S330 WeakPolarHBondContact OD1-CB 3.36Å; D275-S330 PolarHBondContact OD1-OG 3.09Å; D275-S330 PolarHBondContact OD2-OG 3.01Å; D275-F331 WeakPolarHBondContact O-CE2 3.36Å; D275-F331 PolarHBondContact OD1-N 3.01Å
276G97Very high95.5Very high1 Ų124.5 Ų24.51%0.0114%0.136CC..G310 helixtrans-69.6-9.5164.300000114.2G274 C329 G440G274-G276 PolarHBondContact O-N 3.2Å; G276-C329 WeakPolarHBondContact CA-O 3.37Å; G276-C329 PolarHBondContact N-O 2.9Å; G276-G440 WeakPolarHBondContact O-CA 3.38Å; G276-G440 PolarHBondContact O-N 3.19Å
277T96.4Very high95.2Very high11 Ų1131.9 Ų31.97%0.06716%0.164CC..G310 helixtrans-101.99.7-174.177.10000114.6G274 D275 R279 K280 N281 C329G274-T277 WeakPolarHBondContact O-CA 3.34Å; G274-T277 WeakPolarHBondContact O-CB 3.25Å; G274-T277 WeakPolarHBondContact O-CG2 3.34Å; G274-T277 PolarHBondContact O-N 3.35Å; G274-T277 PolarHBondContact O-OG1 3.46Å; D275-T277 PolarHBondContact O-N 3.21Å; T277-R279 PolarHBondContact O-N 3.13Å; T277-K280 VanDerWaalsContact CG2-CE 3.5Å; T277-K280 VanDerWaalsContact O-CG 3.32Å; T277-K280 WeakPolarHBondContact O-CG 3.28Å; T277-K280 PolarHBondContact O-N 2.85Å; T277-N281 PolarHBondContact O-N 3.21Å; T277-N281 PolarHBondContact OG1-ND2 3.01Å; T277-C329 HydrophobicContact CG2-CB 3.73Å
278L95.8Very high95.1Very high1 Ų132.3 Ų32.31%0.00517%0.166CC..THydrogen-bonded Turntrans-51.8-30-177-73.3166.2000114.2F24 L46 D275 L284 W285F24-L278 HydrophobicContact CD2-CD1 4.27Å; F24-L278 HydrophobicContact CE1-CD1 4.33Å; F24-L278 HydrophobicContact CE2-CD1 3.55Å; F24-L278 HydrophobicContact CZ-CD1 3.6Å; L46-L278 HydrophobicContact CD1-CD1 4.23Å; L46-L278 HydrophobicContact CD2-CB 4.23Å; L46-L278 HydrophobicContact CD2-CD1 4.26Å; D275-L278 WeakPolarHBondContact O-CD1 3.3Å; D275-L278 WeakPolarHBondContact O-CG 3.23Å; L278-L284 HydrophobicContact CD2-CB 3.87Å; L278-L284 HydrophobicContact CD2-CD2 4.34Å; L278-L284 HydrophobicContact CD2-CG 4.08Å; L278-W285 HydrophobicContact CB-CZ2 4.34Å; L278-W285 HydrophobicContact CD1-CD2 4.38Å; L278-W285 HydrophobicContact CD1-CH2 4.29Å; L278-W285 HydrophobicContact CD1-CZ2 4.1Å; L278-W285 HydrophobicContact CD2-CB 4.36Å; L278-W285 HydrophobicContact CD2-CD2 3.88Å; L278-W285 HydrophobicContact CD2-CG 3.76Å
279R93.9Very high94.9Very high10 Ų1033.5 Ų33.54%0.03817%0.174CC..THydrogen-bonded Turntrans-68-29176.9-60.5-178.966.2179.23.9114.3Y45 L46 R48 D49 L50 T277 N437 T438Y45-R279 WeakPolarHBondContact O-CD 3.32Å; Y45-R279 PolarHBondContact O-NE 3.46Å; L46-R279 WeakPolarHBondContact O-CG 3.36Å; R48-R279 WeakPolarHBondContact O-CB 3.29Å; R48-R279 WeakPolarHBondContact O-CG 3.28Å; R48-R279 PolarHBondContact O-NE 3.41Å; R48-R279 VanDerWaalsContact O-NE 3.12Å; D49-R279 PolarHBondContact O-NH2 2.96Å; L50-R279 HydrophobicContact CD1-CB 4.34Å; L50-R279 HydrophobicContact CD2-CB 4.2Å; L50-R279 HydrophobicContact CG-CB 3.75Å; T277-R279 PolarHBondContact O-N 3.13Å; R279-N437 VanDerWaalsContact NH1-C 3.33Å; R279-N437 PolarHBondContact NH1-O 3.34Å; R279-N437 PolarHBondContact NH1-OD1 3.07Å; R279-N437 PolarHBondContact NH2-OD1 3.3Å; R279-T438 PolarHBondContact NH1-O 3.03Å
280K91.1Very high94.8Very high76 Ų7632 Ų3233%0.3317%0.166SC..THydrogen-bonded Turntrans-106.6-24.5177.967.4-174.1-175.6-169.50113.8L50 E143 T277 P282L50-K280 HydrophobicContact CD1-CB 3.96Å; L50-K280 HydrophobicContact CD1-CD 4.28Å; L50-K280 HydrophobicContact CD1-CG 4.44Å; E143-K280 WeakPolarHBondContact OE1-CD 3.31Å; E143-K280 VanDerWaalsContact OE1-CE 3.32Å; E143-K280 WeakPolarHBondContact OE1-CE 3.21Å; E143-K280 IonicContact OE1-NZ 2.72Å; E143-K280 PolarHBondContact OE1-NZ 3.4Å; E143-K280 IonicContact OE2-NZ 3.17Å; E143-K280 PolarHBondContact OE2-NZ 3.26Å; T277-K280 VanDerWaalsContact CG2-CE 3.5Å; T277-K280 VanDerWaalsContact O-CG 3.32Å; T277-K280 WeakPolarHBondContact O-CG 3.28Å; T277-K280 PolarHBondContact O-N 2.85Å; K280-P282 VanDerWaalsContact C-CD 3.42Å; K280-P282 VanDerWaalsContact O-CD 3.31Å; K280-P282 WeakPolarHBondContact O-CD 3.45Å
281N92Very high94.6Very high71 Ų7133.9 Ų33.938%0.3818%0.179SC..  trans-119.469.7-179.9-64.9-34.4000109.5T277 D283 L284T277-N281 PolarHBondContact O-N 3.21Å; T277-N281 PolarHBondContact OG1-ND2 3.01Å; N281-D283 PolarHBondContact O-N 2.72Å; N281-D283 VanDerWaalsContact O-N 3.13Å; N281-L284 WeakPolarHBondContact O-CB 2.96Å; N281-L284 PolarHBondContact O-N 3.46Å; N281-L284 VanDerWaalsContact O-N 3.09Å
282P90.7Very high94.5Very high37 Ų3734 Ų3424%0.2418%0.177CC..THydrogen-bonded Turntrans-62.4-23.4-174.926-35.4000113I14 K280 L284 W285I14-P282 HydrophobicContact CB-CB 4.24Å; I14-P282 HydrophobicContact CD1-CB 4.03Å; I14-P282 HydrophobicContact CD1-CG 4.38Å; I14-P282 WeakPolarHBondContact CD1-O 3.44Å; I14-P282 HydrophobicContact CG2-CB 4.35Å; K280-P282 VanDerWaalsContact C-CD 3.42Å; K280-P282 VanDerWaalsContact O-CD 3.31Å; K280-P282 WeakPolarHBondContact O-CD 3.45Å; P282-L284 PolarHBondContact O-N 3.31Å; P282-L284 VanDerWaalsContact O-N 3.1Å; P282-W285 WeakPolarHBondContact O-CB 2.99Å; P282-W285 VanDerWaalsContact O-CD1 3.31Å; P282-W285 PolarHBondContact O-N 3.43Å; P282-W285 VanDerWaalsContact O-N 3.08Å
283D92.1Very high94.4Very high49 Ų4933.1 Ų33.126%0.26217%0.171SC..THydrogen-bonded Turntrans-59.6-22.5176.8-58.4-42.3000113I14 N281 W285I14-D283 HydrophobicContact CD1-CB 4.19Å; I14-D283 VanDerWaalsContact CD1-N 3.34Å; I14-D283 WeakPolarHBondContact CD1-OD1 3.49Å; N281-D283 PolarHBondContact O-N 2.72Å; N281-D283 VanDerWaalsContact O-N 3.13Å; D283-W285 VanDerWaalsContact C-N 3.3Å; D283-W285 PolarHBondContact O-N 2.76Å
284L93.9Very high94.4Very high23 Ų2333.3 Ų33.312%0.1217%0.171CC..Hα-helixtrans-70.1-25.5178.9-172.861.4000112.3G274 D275 L278 N281 P282 L286 R287 W288 L292G274-L284 WeakPolarHBondContact O-CD2 3.36Å; D275-L284 HydrophobicContact CB-CD2 4.36Å; L278-L284 HydrophobicContact CD2-CB 3.87Å; L278-L284 HydrophobicContact CD2-CD2 4.34Å; L278-L284 HydrophobicContact CD2-CG 4.08Å; N281-L284 WeakPolarHBondContact O-CB 2.96Å; N281-L284 PolarHBondContact O-N 3.46Å; N281-L284 VanDerWaalsContact O-N 3.09Å; P282-L284 PolarHBondContact O-N 3.31Å; P282-L284 VanDerWaalsContact O-N 3.1Å; L284-L286 VanDerWaalsContact C-N 3.27Å; L284-L286 PolarHBondContact O-N 3.48Å; L284-R287 PolarHBondContact O-N 2.8Å; L284-R287 VanDerWaalsContact O-N 3.15Å; L284-W288 HydrophobicContact CG-CB 4.49Å; L284-W288 VanDerWaalsContact O-CB 3.26Å; L284-W288 WeakPolarHBondContact O-CB 3.37Å; L284-W288 PolarHBondContact O-N 2.93Å; L284-L292 HydrophobicContact CD1-CD1 4.05Å
285W94.7Very high94.4Very high1 Ų135.4 Ų35.40%0.00419%0.193CC..Hα-helixtrans-51.9-47.6175-80.2103000111.6K19 N21 F24 L46 K47 L278 P282 D283 R287K19-W285 HydrophobicContact CB-CD2 4.2Å; K19-W285 HydrophobicContact CB-CG 4.22Å; N21-W285 HydrophobicContact CB-CE3 4.3Å; N21-W285 WeakPolarHBondContact CB-O 3.38Å; N21-W285 PolarHBondContact ND2-O 2.58Å; F24-W285 HydrophobicContact CD1-CZ3 4.37Å; L46-W285 HydrophobicContact CB-CH2 4.12Å; L46-W285 HydrophobicContact CB-CZ2 3.75Å; L46-W285 HydrophobicContact CD1-CH2 4.45Å; K47-W285 HydrophobicContact CG-CH2 4.43Å; K47-W285 HydrophobicContact CG-CZ2 4.01Å; L278-W285 HydrophobicContact CB-CZ2 4.34Å; L278-W285 HydrophobicContact CD1-CD2 4.38Å; L278-W285 HydrophobicContact CD1-CH2 4.29Å; L278-W285 HydrophobicContact CD1-CZ2 4.1Å; L278-W285 HydrophobicContact CD2-CB 4.36Å; L278-W285 HydrophobicContact CD2-CD2 3.88Å; L278-W285 HydrophobicContact CD2-CG 3.76Å; P282-W285 WeakPolarHBondContact O-CB 2.99Å; P282-W285 VanDerWaalsContact O-CD1 3.31Å; P282-W285 PolarHBondContact O-N 3.43Å; P282-W285 VanDerWaalsContact O-N 3.08Å; D283-W285 VanDerWaalsContact C-N 3.3Å; D283-W285 PolarHBondContact O-N 2.76Å; W285-R287 VanDerWaalsContact C-N 3.34Å; W285-R287 PolarHBondContact O-N 2.89Å
286L93.6Very high94.5Very high98 Ų9837.3 Ų37.351%0.51320%0.201SC..Hα-helixtrans-75.1-23.6-175.4-56.8176.3000113.6I14 M18 L284I14-L286 HydrophobicContact CD1-CD1 4.33Å; M18-L286 HydrophobicContact CB-CD2 4.47Å; M18-L286 HydrophobicContact CE-CD1 3.84Å; L284-L286 VanDerWaalsContact C-N 3.27Å; L284-L286 PolarHBondContact O-N 3.48Å
287R92.6Very high94.5Very high156 Ų15637.2 Ų37.259%0.58920%0.201SC*.Hα-helixtrans-109.7-10.9-169.5-69.4176.152.1-165.6-9.7113.6L284 W285 S289L284-R287 PolarHBondContact O-N 2.8Å; L284-R287 VanDerWaalsContact O-N 3.15Å; W285-R287 VanDerWaalsContact C-N 3.34Å; W285-R287 PolarHBondContact O-N 2.89Å; R287-S289 PolarHBondContact O-N 2.98Å
288W95.2Very high94.6Very high9 Ų938.1 Ų38.13%0.03421%0.207CC..  trans-60.6137-177.4-175.393.7000110.7N21 L23 F24 Y27 Y28 D275 L284 P290N21-W288 PolarHBondContact ND2-O 3.39Å; L23-W288 HydrophobicContact CB-CZ3 4.35Å; L23-W288 HydrophobicContact CD2-CZ3 4.49Å; L23-W288 HydrophobicContact CG-CZ3 4.11Å; F24-W288 VanDerWaalsContact CA-CE3 3.49Å; F24-W288 HydrophobicContact CB-CD2 3.97Å; F24-W288 HydrophobicContact CB-CE3 3.58Å; F24-W288 HydrophobicContact CB-CZ3 3.92Å; F24-W288 AromaticContact CD2-CD2 3.67Å; F24-W288 HydrophobicContact CD2-CD2 3.67Å; F24-W288 AromaticContact CD2-CE2 3.71Å; F24-W288 HydrophobicContact CD2-CE3 4.17Å; F24-W288 AromaticContact CD2-CG 3.88Å; F24-W288 HydrophobicContact CD2-CG 3.88Å; F24-W288 HydrophobicContact CD2-CZ2 4.25Å; F24-W288 AromaticContact CD2-NE1 3.88Å; F24-W288 HydrophobicContact CG-CD2 4.31Å; F24-W288 HydrophobicContact CG-CE3 4.37Å; F24-W288 VanDerWaalsContact N-CZ3 3.33Å; Y27-W288 AromaticContact CD1-CH2 3.76Å; Y27-W288 HydrophobicContact CD1-CH2 3.76Å; Y27-W288 AromaticContact CD1-CZ2 3.88Å; Y27-W288 HydrophobicContact CD1-CZ2 3.88Å; Y27-W288 HydrophobicContact CD2-CH2 4.3Å; Y27-W288 HydrophobicContact CE1-CZ2 4.35Å; Y27-W288 AromaticContact CG-CH2 3.63Å; Y27-W288 HydrophobicContact CG-CH2 3.63Å; Y27-W288 HydrophobicContact CG-CZ2 4.23Å; Y28-W288 HydrophobicContact CD2-CZ2 4.48Å; Y28-W288 HydrophobicContact CE2-CH2 4.34Å; Y28-W288 AromaticContact CE2-CZ2 3.6Å; Y28-W288 HydrophobicContact CE2-CZ2 3.6Å; D275-W288 VanDerWaalsContact CB-CD1 3.46Å; D275-W288 VanDerWaalsContact CB-NE1 3.32Å; D275-W288 PolarHBondContact OD2-NE1 3.28Å; L284-W288 HydrophobicContact CG-CB 4.49Å; L284-W288 VanDerWaalsContact O-CB 3.26Å; L284-W288 WeakPolarHBondContact O-CB 3.37Å; L284-W288 PolarHBondContact O-N 2.93Å; W288-P290 HydrophobicContact CH2-CG 3.96Å; W288-P290 HydrophobicContact CZ3-CG 4.18Å
289S95.3Very high94.7Very high24 Ų2440.4 Ų40.417%0.16822%0.219CC..  trans-154.8157.5169.766.90000109.8R287 S291 L292R287-S289 PolarHBondContact O-N 2.98Å; S289-S291 PolarHBondContact O-N 2.9Å; S289-S291 VanDerWaalsContact O-N 3.08Å; S289-S291 PolarHBondContact OG-OG 3.25Å; S289-L292 WeakPolarHBondContact O-CB 3.48Å; S289-L292 PolarHBondContact O-N 3.24Å; S289-L292 VanDerWaalsContact O-N 3.08Å
290P94.8Very high94.9Very high1 Ų139.9 Ų39.91%0.00622%0.217CC..Hα-helixtrans-55.9-29.3176.7-25.333.6000113.5L23 Y27 W288 L292 G293 I294 M389L23-P290 HydrophobicContact CD2-CG 4.32Å; Y27-P290 HydrophobicContact CD2-CB 4.35Å; Y27-P290 HydrophobicContact CD2-CG 4.03Å; Y27-P290 HydrophobicContact CE2-CB 4.2Å; Y27-P290 HydrophobicContact CE2-CG 4.38Å; W288-P290 HydrophobicContact CH2-CG 3.96Å; W288-P290 HydrophobicContact CZ3-CG 4.18Å; P290-L292 PolarHBondContact O-N 3.4Å; P290-G293 PolarHBondContact O-N 2.95Å; P290-I294 PolarHBondContact O-N 2.78Å; P290-M389 HydrophobicContact CB-CB 4.32Å; P290-M389 WeakPolarHBondContact CB-O 3.25Å; P290-M389 HydrophobicContact CG-CB 4.24Å; P290-M389 HydrophobicContact CG-CG 4.25Å; P290-M389 HydrophobicContact CG-SD 3.69Å
291S94.5Very high95.3Very high45 Ų4537.1 Ų37.132%0.31521%0.207SC..Hα-helixtrans-61.9-23179.870.90000114.3S289 G295S289-S291 PolarHBondContact O-N 2.9Å; S289-S291 VanDerWaalsContact O-N 3.08Å; S289-S291 PolarHBondContact OG-OG 3.25Å; S291-G295 PolarHBondContact O-N 2.67Å; S291-G295 VanDerWaalsContact O-N 3.1Å
292L95.1Very high95.6Very high57 Ų5739.3 Ų39.330%0.29821%0.209SC..Hα-helixtrans-63.1-52.5175.5-65.2177.6000110.4L284 S289 P290 G295 E296L284-L292 HydrophobicContact CD1-CD1 4.05Å; S289-L292 WeakPolarHBondContact O-CB 3.48Å; S289-L292 PolarHBondContact O-N 3.24Å; S289-L292 VanDerWaalsContact O-N 3.08Å; P290-L292 PolarHBondContact O-N 3.4Å; L292-G295 PolarHBondContact O-N 3.06Å; L292-E296 PolarHBondContact O-N 3.16Å
293G95.1Very high95.9Very high1 Ų137.6 Ų37.61%0.0120%0.199CC..Hα-helixtrans-71-34.2-179.500000114.1P290 G295 E296 H297 E335P290-G293 PolarHBondContact O-N 2.95Å; G293-G295 PolarHBondContact O-N 2.88Å; G293-E296 PolarHBondContact O-N 2.78Å; G293-H297 PolarHBondContact O-N 2.72Å; G293-E335 VanDerWaalsContact CA-CD 3.44Å; G293-E335 WeakPolarHBondContact CA-OE1 2.87Å
294I96.5Very high96.3Very high19 Ų1935.3 Ų35.310%0.09719%0.186CC..Hα-helixtrans-57.3-39171.4-67.1173.1000110.7P290 I388 M389 F409 M414P290-I294 PolarHBondContact O-N 2.78Å; I294-I388 HydrophobicContact CD1-CG2 4.15Å; I294-M389 WeakPolarHBondContact CD1-O 3.42Å; I294-F409 WeakPolarHBondContact CG2-O 3.42Å; I294-M414 HydrophobicContact CB-CE 4.42Å; I294-M414 HydrophobicContact CG2-CE 3.8Å; I294-M414 HydrophobicContact CG2-SD 4.32Å; I294-M414 VanDerWaalsContact O-CE 3.23Å; I294-M414 WeakPolarHBondContact O-CE 3.4Å
295G95.5Very high96.5Very high54 Ų5437.4 Ų37.456%0.55719%0.194SC*.Hα-helixtrans-69.4-30.1179.400000114.6S291 L292 G293S291-G295 PolarHBondContact O-N 2.67Å; S291-G295 VanDerWaalsContact O-N 3.1Å; L292-G295 PolarHBondContact O-N 3.06Å; G293-G295 PolarHBondContact O-N 2.88Å
296E97.7Very high96.6Very high39 Ų3938.4 Ų38.418%0.18220%0.198CC..Hα-helixtrans-85.4-30.9-177.1-61.6-60.2156.400112.8L292 G293 L299 Q300 E335L292-E296 PolarHBondContact O-N 3.16Å; G293-E296 PolarHBondContact O-N 2.78Å; E296-L299 WeakPolarHBondContact O-CA 3.38Å; E296-L299 WeakPolarHBondContact O-CB 3.46Å; E296-L299 PolarHBondContact O-N 3.48Å; E296-Q300 HydrophobicContact CB-CG 4.33Å; E296-Q300 WeakPolarHBondContact O-CG 3.32Å; E296-Q300 PolarHBondContact O-N 3.35Å; E296-E335 HydrophobicContact CB-CG 4.43Å
297H98.1Very high96.9Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-49.3-49.7-174.1173.898.3000114.8G293 L299 Q300 C301 V334 S413 M414G293-H297 PolarHBondContact O-N 2.72Å; H297-L299 VanDerWaalsContact C-N 3.29Å; H297-L299 PolarHBondContact O-N 3.44Å; H297-Q300 PolarHBondContact O-N 2.84Å; H297-C301 PolarHBondContact O-N 3.21Å; H297-C301 PolarHBondContact O-SG 3.43Å; H297-V334 HydrophobicContact CB-CG1 3.96Å; H297-V334 PolarHBondContact ND1-O 2.68Å; H297-S413 PolarHBondContact CE1-O 3.33Å; H297-S413 VanDerWaalsContact CE1-O 3.25Å; H297-S413 PolarHBondContact NE2-O 2.64Å; H297-S413 PolarHBondContact NE2-OG 3.04Å; H297-M414 HydrophobicContact CB-CE 3.8Å
298P97.6Very high97.1Very high30 Ų3026.3 Ų26.320%0.19515%0.146CC..Hα-helixtrans-63-35.2179.7-22.634.6000113.1R302 Y411P298-R302 WeakPolarHBondContact O-CG 3.47Å; P298-R302 PolarHBondContact O-N 3.35Å; P298-R302 PolarHBondContact O-NH1 3.08Å; P298-Y411 HydrophobicContact CG-CD2 3.92Å; P298-Y411 HydrophobicContact CG-CE2 3.52Å
299L98Very high97.2Very high48 Ų4826.8 Ų26.825%0.25115%0.148SC..Hα-helixtrans-66.8-47.1176.717463.8000110.4T238 P271 E296 H297 R302 I303T238-L299 HydrophobicContact CG2-CD1 3.35Å; P271-L299 HydrophobicContact CB-CD2 4.41Å; P271-L299 HydrophobicContact CG-CD2 4.5Å; E296-L299 WeakPolarHBondContact O-CA 3.38Å; E296-L299 WeakPolarHBondContact O-CB 3.46Å; E296-L299 PolarHBondContact O-N 3.48Å; H297-L299 VanDerWaalsContact C-N 3.29Å; H297-L299 PolarHBondContact O-N 3.44Å; L299-R302 PolarHBondContact O-N 3.38Å; L299-R302 VanDerWaalsContact O-N 3.15Å; L299-I303 HydrophobicContact CD1-CD1 4.03Å; L299-I303 HydrophobicContact CD1-CG1 4.32Å; L299-I303 HydrophobicContact CG-CD1 3.94Å; L299-I303 WeakPolarHBondContact O-CG1 3.2Å; L299-I303 PolarHBondContact O-N 3.38Å
300Q98.7Very high97.3Very high0 Ų025.8 Ų25.80%014%0.141CC..Hα-helixtrans-62.7-43.9-178.9-65.9169.2-25.300111.9V270 P271 E296 H297 R302 I303 L304 Y326 E335 V339V270-Q300 HydrophobicContact CB-CG 4.2Å; V270-Q300 HydrophobicContact CG2-CB 4.34Å; V270-Q300 HydrophobicContact CG2-CG 3.74Å; P271-Q300 PolarHBondContact O-NE2 3.07Å; E296-Q300 HydrophobicContact CB-CG 4.33Å; E296-Q300 WeakPolarHBondContact O-CG 3.32Å; E296-Q300 PolarHBondContact O-N 3.35Å; H297-Q300 PolarHBondContact O-N 2.84Å; Q300-R302 VanDerWaalsContact C-N 3.29Å; Q300-R302 PolarHBondContact O-N 2.69Å; Q300-I303 PolarHBondContact O-N 3.29Å; Q300-L304 WeakPolarHBondContact O-CB 3.41Å; Q300-L304 PolarHBondContact O-N 3.1Å; Q300-Y326 HydrophobicContact CB-CE2 4.48Å; Q300-Y326 WeakPolarHBondContact CB-OH 3.34Å; Q300-E335 PolarHBondContact NE2-OE2 3Å; Q300-E335 VanDerWaalsContact OE1-CB 3.29Å; Q300-E335 PolarHBondContact OE1-O 3.32Å; Q300-V339 HydrophobicContact CB-CG1 4.08Å; Q300-V339 HydrophobicContact CB-CG2 3.82Å
301C98.6Very high97.4Very high17 Ų1725.7 Ų25.712%0.11514%0.14CC..Hα-helixtrans-56.1-42.8172.4-73.10000112.2H297 K305H297-C301 PolarHBondContact O-N 3.21Å; H297-C301 PolarHBondContact O-SG 3.43Å; C301-K305 WeakPolarHBondContact O-CB 3.42Å; C301-K305 PolarHBondContact O-N 2.73Å
302R98.4Very high97.4Very high117 Ų11726.9 Ų26.944%0.44214%0.138SC..Hα-helixtrans-67.9-41.5178.3-72.1-168.9-54.3-84.60.1112.6T238 P298 L299 Q300 R306T238-R302 HydrophobicContact CG2-CB 3.99Å; P298-R302 WeakPolarHBondContact O-CG 3.47Å; P298-R302 PolarHBondContact O-N 3.35Å; P298-R302 PolarHBondContact O-NH1 3.08Å; L299-R302 PolarHBondContact O-N 3.38Å; L299-R302 VanDerWaalsContact O-N 3.15Å; Q300-R302 VanDerWaalsContact C-N 3.29Å; Q300-R302 PolarHBondContact O-N 2.69Å; R302-R306 WeakPolarHBondContact O-CB 3.47Å; R302-R306 PolarHBondContact O-N 3.33Å
303I98.7Very high97.2Very high2 Ų225.2 Ų25.21%0.0113%0.129CC..Hα-helixtrans-64.9-47.7177.8-63.4168.6000110.3L164 A237 T238 A268 V270 L299 Q300 K305 R306 G307L164-I303 HydrophobicContact CB-CG2 4.29Å; L164-I303 HydrophobicContact CD1-CG2 3.9Å; A237-I303 HydrophobicContact CB-CD1 4.3Å; A237-I303 HydrophobicContact CB-CG1 4.04Å; A237-I303 HydrophobicContact CB-CG2 4.22Å; T238-I303 HydrophobicContact CG2-CG1 3.84Å; A268-I303 HydrophobicContact CB-CG2 4.4Å; V270-I303 HydrophobicContact CB-CD1 4.37Å; V270-I303 HydrophobicContact CG1-CB 3.99Å; V270-I303 HydrophobicContact CG1-CD1 4.12Å; V270-I303 HydrophobicContact CG1-CG2 3.7Å; L299-I303 HydrophobicContact CD1-CD1 4.03Å; L299-I303 HydrophobicContact CD1-CG1 4.32Å; L299-I303 HydrophobicContact CG-CD1 3.94Å; L299-I303 WeakPolarHBondContact O-CG1 3.2Å; L299-I303 PolarHBondContact O-N 3.38Å; Q300-I303 PolarHBondContact O-N 3.29Å; I303-K305 PolarHBondContact O-N 2.79Å; I303-R306 PolarHBondContact O-N 3.41Å; I303-G307 PolarHBondContact O-N 2.98Å
304L98.7Very high97Very high0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-60.1-47.1178.2177.354.9000111.2Q300 R306 G307 L308 L324 Y326 V339 V343 L446Q300-L304 WeakPolarHBondContact O-CB 3.41Å; Q300-L304 PolarHBondContact O-N 3.1Å; L304-R306 VanDerWaalsContact C-N 3.35Å; L304-R306 PolarHBondContact O-N 2.77Å; L304-G307 PolarHBondContact O-N 3.14Å; L304-L308 PolarHBondContact O-N 3.08Å; L304-L308 VanDerWaalsContact O-N 3.08Å; L304-L324 HydrophobicContact CD1-CD1 4.18Å; L304-L324 HydrophobicContact CD1-CD2 3.38Å; L304-L324 HydrophobicContact CD1-CG 4.47Å; L304-Y326 HydrophobicContact CB-CD2 4.15Å; L304-Y326 HydrophobicContact CB-CE2 4.39Å; L304-Y326 HydrophobicContact CD1-CD2 4.17Å; L304-Y326 HydrophobicContact CD1-CG 4.46Å; L304-Y326 HydrophobicContact CD2-CD2 4.21Å; L304-Y326 HydrophobicContact CD2-CG 4.43Å; L304-Y326 HydrophobicContact CG-CD2 4.4Å; L304-V339 HydrophobicContact CB-CG1 4.44Å; L304-V339 HydrophobicContact CD2-CG1 3.93Å; L304-V343 HydrophobicContact CB-CG2 4.33Å; L304-V343 HydrophobicContact CD2-CB 3.92Å; L304-V343 HydrophobicContact CD2-CG1 4.27Å; L304-V343 HydrophobicContact CD2-CG2 3.89Å; L304-V343 HydrophobicContact CG-CB 4.25Å; L304-V343 HydrophobicContact CG-CG1 4.11Å; L304-V343 HydrophobicContact CG-CG2 4.1Å; L304-L446 HydrophobicContact CD1-CD1 4.38Å
305K98.2Very high96.2Very high67 Ų6729.9 Ų29.929%0.29116%0.159SC..Hα-helixtrans-57.1-47.4174.8-173.1176.6-179.4179.20111.3C301 I303 G307 L308 E309 W454C301-K305 WeakPolarHBondContact O-CB 3.42Å; C301-K305 PolarHBondContact O-N 2.73Å; I303-K305 PolarHBondContact O-N 2.79Å; K305-G307 VanDerWaalsContact C-N 3.32Å; K305-G307 PolarHBondContact O-N 3.32Å; K305-L308 PolarHBondContact O-N 3.15Å; K305-E309 WeakPolarHBondContact O-CG 3.38Å; K305-E309 PolarHBondContact O-N 3.21Å; K305-W454 HydrophobicContact CD-CZ2 4.2Å; K305-W454 VanDerWaalsContact CE-CE2 3.46Å; K305-W454 HydrophobicContact CG-CH2 4.43Å; K305-W454 HydrophobicContact CG-CZ2 3.69Å
306R98.2Very high95.4Very high23 Ų2330.6 Ų30.69%0.08717%0.166CC..Hα-helixtrans-63.3-37.2178.5-175.855.3179.71732.2112.6A237 F240 R302 I303 L304 E309 L310A237-R306 WeakPolarHBondContact O-CG 3.35Å; F240-R306 PolarHBondContact O-NE 2.95Å; F240-R306 PolarHBondContact O-NH2 3.11Å; R302-R306 WeakPolarHBondContact O-CB 3.47Å; R302-R306 PolarHBondContact O-N 3.33Å; I303-R306 PolarHBondContact O-N 3.41Å; L304-R306 VanDerWaalsContact C-N 3.35Å; L304-R306 PolarHBondContact O-N 2.77Å; R306-E309 WeakPolarHBondContact CD-OE2 3.32Å; R306-E309 IonicContact CZ-OE2 2.69Å; R306-E309 IonicContact NH1-OE2 3.66Å; R306-E309 PolarHBondContact NH1-OE2 2.85Å; R306-E309 WeakPolarHBondContact O-CB 3.4Å; R306-E309 PolarHBondContact O-N 2.79Å; R306-L310 HydrophobicContact CG-CD1 4.15Å; R306-L310 WeakPolarHBondContact O-CG 3.36Å; R306-L310 PolarHBondContact O-N 3.38Å
307G98.5Very high94.3Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-61.3-45.2174.600000112.6I303 L304 K305 E309 L310 L311 L324I303-G307 PolarHBondContact O-N 2.98Å; L304-G307 PolarHBondContact O-N 3.14Å; K305-G307 VanDerWaalsContact C-N 3.32Å; K305-G307 PolarHBondContact O-N 3.32Å; G307-E309 VanDerWaalsContact C-N 3.29Å; G307-E309 PolarHBondContact O-N 3.36Å; G307-L310 PolarHBondContact O-N 3.18Å; G307-L311 PolarHBondContact O-N 2.89Å; G307-L311 VanDerWaalsContact O-N 3.08Å; G307-L324 VanDerWaalsContact C-CD1 3.46Å
308L98.2Very high93.1Very high0 Ų039.6 Ų39.60%022%0.22CC..Hα-helixtrans-65-32.7176.6-66.7172.7000112.8L304 K305 L310 L311 L324 V343 V351 K448 L452L304-L308 PolarHBondContact O-N 3.08Å; L304-L308 VanDerWaalsContact O-N 3.08Å; K305-L308 PolarHBondContact O-N 3.15Å; L308-L310 VanDerWaalsContact C-N 3.31Å; L308-L311 HydrophobicContact CD2-CD2 4.46Å; L308-L311 PolarHBondContact O-N 3.18Å; L308-L324 HydrophobicContact CD2-CB 4.34Å; L308-L324 HydrophobicContact CD2-CD1 4.15Å; L308-L324 HydrophobicContact CG-CD1 4.25Å; L308-V343 HydrophobicContact CD1-CG1 3.48Å; L308-V343 VanDerWaalsContact CD1-CG1 3.48Å; L308-V351 HydrophobicContact CD1-CG1 4.45Å; L308-V351 HydrophobicContact CD1-CG2 4.3Å; L308-V351 HydrophobicContact CD2-CG1 3.95Å; L308-V351 HydrophobicContact CD2-CG2 4.18Å; L308-K448 PolarHBondContact O-NZ 2.91Å; L308-K448 VanDerWaalsContact O-NZ 3.14Å; L308-L452 HydrophobicContact CB-CD1 3.9Å
309E96.5Very high92.3Very high19 Ų1944.1 Ų44.19%0.08925%0.247CC..Hα-helixtrans-65.6-33.6175.7-76.4179.5179.600113.1K305 R306 G307 L452 W454 M455K305-E309 WeakPolarHBondContact O-CG 3.38Å; K305-E309 PolarHBondContact O-N 3.21Å; R306-E309 WeakPolarHBondContact CD-OE2 3.32Å; R306-E309 IonicContact CZ-OE2 2.69Å; R306-E309 IonicContact NH1-OE2 3.66Å; R306-E309 PolarHBondContact NH1-OE2 2.85Å; R306-E309 WeakPolarHBondContact O-CB 3.4Å; R306-E309 PolarHBondContact O-N 2.79Å; G307-E309 VanDerWaalsContact C-N 3.29Å; G307-E309 PolarHBondContact O-N 3.36Å; E309-L452 HydrophobicContact CG-CD1 4.17Å; E309-W454 PolarHBondContact OE1-NE1 3.33Å; E309-W454 VanDerWaalsContact OE1-NE1 3.14Å; E309-M455 HydrophobicContact CB-CE 3.52Å; E309-M455 HydrophobicContact CB-SD 4.33Å; E309-M455 HydrophobicContact CG-CE 3.67Å; E309-M455 HydrophobicContact CG-SD 4.09Å; E309-M455 WeakPolarHBondContact O-CE 3.41Å
310L97.1Very high91.8Very high2 Ų245.1 Ų45.11%0.0125%0.253CS..Hα-helixtrans-88.9-16.2-179.7-66.8173.1000112.9L162 F240 F263 R306 G307 L308L162-L310 HydrophobicContact CD2-CD1 3.63Å; F240-L310 HydrophobicContact CB-CD1 4.08Å; F240-L310 HydrophobicContact CD1-CD1 3.78Å; F240-L310 HydrophobicContact CG-CD1 4.31Å; F263-L310 HydrophobicContact CD2-CB 3.99Å; F263-L310 HydrophobicContact CE2-CB 4.37Å; F263-L310 PolarHBondContact N-O 3.36Å; R306-L310 HydrophobicContact CG-CD1 4.15Å; R306-L310 WeakPolarHBondContact O-CG 3.36Å; R306-L310 PolarHBondContact O-N 3.38Å; G307-L310 PolarHBondContact O-N 3.18Å; L308-L310 VanDerWaalsContact C-N 3.31Å
311L97.1Very high91.5Very high0 Ų047.7 Ų47.70%026%0.263CS..BIsolated β-bridgetrans-71.5133.5177.8-161.570.8000111M262 F263 V266 G307 L308 R323 L324 K448M262-L311 WeakPolarHBondContact CE-O 3.5Å; F263-L311 WeakPolarHBondContact O-CD1 3.31Å; V266-L311 HydrophobicContact CB-CD1 4.16Å; V266-L311 HydrophobicContact CG2-CB 4.43Å; V266-L311 HydrophobicContact CG2-CD1 3.64Å; G307-L311 PolarHBondContact O-N 2.89Å; G307-L311 VanDerWaalsContact O-N 3.08Å; L308-L311 HydrophobicContact CD2-CD2 4.46Å; L308-L311 PolarHBondContact O-N 3.18Å; L311-R323 WeakPolarHBondContact CD1-O 3.31Å; L311-L324 HydrophobicContact CD2-CB 4.14Å; L311-K448 HydrophobicContact CB-CD 4.23Å; L311-K448 HydrophobicContact CD2-CB 3.77Å; L311-K448 HydrophobicContact CD2-CD 4.35Å; L311-K448 PolarHBondContact O-NZ 3.09Å
312R95.1Very high91.4Very high69 Ų6946.9 Ų46.926%0.2626%0.258SS..PPolyproline II helixtrans-56.6137.5-178.8-177-17071.5162.43.3111.2M262 F263 D264 N320 S322M262-R312 HydrophobicContact CB-CB 3.77Å; M262-R312 HydrophobicContact CB-CG 4.18Å; F263-R312 WeakPolarHBondContact O-CB 3.19Å; F263-R312 PolarHBondContact O-N 2.83Å; D264-R312 IonicContact OD1-CZ 2.84Å; D264-R312 VanDerWaalsContact OD1-CZ 3.25Å; D264-R312 IonicContact OD1-NE 3.84Å; D264-R312 PolarHBondContact OD1-NE 2.8Å; D264-R312 IonicContact OD1-NH1 3.37Å; D264-R312 PolarHBondContact OD1-NH1 2.95Å; D264-R312 IonicContact OD1-NH2 3.23Å; R312-N320 PolarHBondContact NH2-O 2.93Å; R312-S322 WeakPolarHBondContact CB-OG 3.05Å; R312-S322 PolarHBondContact NE-OG 2.9Å; R312-S322 VanDerWaalsContact NE-OG 3.14Å
313D91.7Very high91.4Very high22 Ų2242.8 Ų42.812%0.11824%0.242CC..PPolyproline II helixtrans-74.3147.9173.9-62.7-51.9000109.2K448 P451 R460D313-K448 WeakPolarHBondContact OD1-CE 3.4Å; D313-K448 IonicContact OD1-NZ 3.67Å; D313-K448 PolarHBondContact OD1-NZ 2.84Å; D313-P451 HydrophobicContact CB-CG 4.48Å; D313-R460 IonicContact OD1-NH1 3.86Å; D313-R460 IonicContact OD2-CZ 2.77Å; D313-R460 IonicContact OD2-NH1 3.53Å; D313-R460 PolarHBondContact OD2-NH1 3.24Å
314P89Confident91.4Very high36 Ų3642.7 Ų42.723%0.23424%0.242CC..PPolyproline II helixtrans-65148176.125.9-32.1000111.3Y321 I449P314-Y321 HydrophobicContact CB-CD1 4.03Å; P314-Y321 HydrophobicContact CB-CE1 3.99Å; P314-I449 WeakPolarHBondContact CG-O 3.28Å
315V80.9Confident91.4Very high83 Ų8342.7 Ų42.750%0.50324%0.242SC..  trans-116.5122-179-177.60000109.1S318V315-S318 WeakPolarHBondContact O-CB 3.47Å; V315-S318 PolarHBondContact O-N 2.87Å
316G78.2Confident91.4Very high68 Ų6839.5 Ų39.570%0.70123%0.228SC*.THydrogen-bonded Turntrans56.3-145.9-177.400000112.6S318G316-S318 VanDerWaalsContact C-N 3.26Å; G316-S318 PolarHBondContact O-N 3.16Å
317D74.8Confident91.4Very high173 Ų17338.4 Ų38.493%0.92522%0.224SC*.THydrogen-bonded Turntrans-89.123.1179.3-59.5-37.5000113.1T319D317-T319 PolarHBondContact O-N 2.98Å
318S74Confident91.4Very high55 Ų5538.4 Ų38.439%0.38522%0.224SC..  trans-67.1133.6-176.7-171.80000112.3V315 G316 N320V315-S318 WeakPolarHBondContact O-CB 3.47Å; V315-S318 PolarHBondContact O-N 2.87Å; G316-S318 VanDerWaalsContact C-N 3.26Å; G316-S318 PolarHBondContact O-N 3.16Å; S318-N320 VanDerWaalsContact C-N 3.3Å; S318-N320 PolarHBondContact OG-N 3.18Å
319T79.6Confident91.3Very high125 Ų12540 Ų4077%0.76723%0.234SC*.SBendtrans-83.1-2.917254.20000113.4D317 Y321D317-T319 PolarHBondContact O-N 2.98Å; T319-Y321 VanDerWaalsContact C-N 3.28Å; T319-Y321 WeakPolarHBondContact O-CD2 3.38Å; T319-Y321 PolarHBondContact O-N 2.8Å
320N86.9Confident91.4Very high70 Ų7039.1 Ų39.137%0.37423%0.23SC..  trans-85.668179-171.410.8000111.3R312 S318R312-N320 PolarHBondContact NH2-O 2.93Å; S318-N320 VanDerWaalsContact C-N 3.3Å; S318-N320 PolarHBondContact OG-N 3.18Å
321Y94.1Very high91.4Very high53 Ų5339 Ų3921%0.20823%0.23CC..  trans-65.2144.6179.6-63.5-68.6000111.9R265 P314 T319 K448 I449R265-Y321 PolarHBondContact NH1-O 3.48Å; P314-Y321 HydrophobicContact CB-CD1 4.03Å; P314-Y321 HydrophobicContact CB-CE1 3.99Å; T319-Y321 VanDerWaalsContact C-N 3.28Å; T319-Y321 WeakPolarHBondContact O-CD2 3.38Å; T319-Y321 PolarHBondContact O-N 2.8Å; Y321-K448 WeakPolarHBondContact CD1-O 3.46Å; Y321-I449 HydrophobicContact CD1-CB 4.27Å; Y321-I449 HydrophobicContact CD1-CG2 3.94Å; Y321-I449 HydrophobicContact CD2-CG2 4.31Å; Y321-I449 HydrophobicContact CE1-CB 3.92Å; Y321-I449 HydrophobicContact CE1-CG2 3.86Å; Y321-I449 HydrophobicContact CE2-CG2 4.24Å; Y321-I449 HydrophobicContact CG-CG2 4.16Å
322S96.2Very high91.5Very high1 Ų139 Ų391%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-75.1142.7170.8-61.80000109.8D264 R312 K448D264-S322 WeakPolarHBondContact O-CA 3.39Å; D264-S322 WeakPolarHBondContact O-CB 3.29Å; R312-S322 WeakPolarHBondContact CB-OG 3.05Å; R312-S322 PolarHBondContact NE-OG 2.9Å; R312-S322 VanDerWaalsContact NE-OG 3.14Å; S322-K448 PolarHBondContact O-N 3.38Å
323R96.9Very high91.6Very high31 Ų3135.8 Ų35.812%0.11722%0.217CC..EExtended strand (participates in β ladder)trans-123.1136.9-166.3-172176.1-70.4177.61112L152 L153 D264 R265 V266 L311 I354 V445 L446 E447L152-R323 WeakPolarHBondContact O-CD 3.49Å; L152-R323 PolarHBondContact O-NH1 3.07Å; L152-R323 VanDerWaalsContact O-NH1 3.11Å; L153-R323 HydrophobicContact CD2-CG 4.38Å; D264-R323 PolarHBondContact O-N 3.41Å; D264-R323 VanDerWaalsContact O-N 3.08Å; R265-R323 VanDerWaalsContact CA-O 3.31Å; R265-R323 WeakPolarHBondContact CA-O 3.24Å; V266-R323 PolarHBondContact N-O 3.48Å; L311-R323 WeakPolarHBondContact CD1-O 3.31Å; R323-I354 VanDerWaalsContact CZ-CD1 3.48Å; R323-V445 VanDerWaalsContact CD-CG1 3.47Å; R323-V445 HydrophobicContact CG-CG1 3.68Å; R323-L446 CarbonylContact C-O 3.57Å; R323-L446 WeakPolarHBondContact CA-O 3.42Å; R323-E447 IonicContact CZ-OE1 2.79Å; R323-E447 IonicContact NE-OE1 3.92Å; R323-E447 IonicContact NH2-OE1 3.98Å; R323-E447 PolarHBondContact NH2-OE1 3.43Å
324L98.7Very high91.9Very high0 Ų034.7 Ų34.70%021%0.212CC..EExtended strand (participates in β ladder)trans-116.5133.8170.3-176.5153.2000109.6V266 A268 L304 G307 L308 L311 L446V266-L324 HydrophobicContact CB-CB 4.26Å; V266-L324 HydrophobicContact CB-CD1 3.92Å; V266-L324 HydrophobicContact CB-CG 3.99Å; V266-L324 HydrophobicContact CG1-CD1 3.7Å; V266-L324 HydrophobicContact CG1-CG 4.05Å; V266-L324 CarbonylContact O-C 3.56Å; V266-L324 WeakPolarHBondContact O-CA 3.5Å; A268-L324 HydrophobicContact CB-CD2 4.36Å; L304-L324 HydrophobicContact CD1-CD1 4.18Å; L304-L324 HydrophobicContact CD1-CD2 3.38Å; L304-L324 HydrophobicContact CD1-CG 4.47Å; G307-L324 VanDerWaalsContact C-CD1 3.46Å; L308-L324 HydrophobicContact CD2-CB 4.34Å; L308-L324 HydrophobicContact CD2-CD1 4.15Å; L308-L324 HydrophobicContact CG-CD1 4.25Å; L311-L324 HydrophobicContact CD2-CB 4.14Å; L324-L446 HydrophobicContact CD2-CD1 3.82Å; L324-L446 PolarHBondContact N-O 3.29Å; L324-L446 PolarHBondContact O-N 3.41Å
325V98.7Very high92.4Very high0 Ų033 Ų330%020%0.201CC..EExtended strand (participates in β ladder)trans-107.6118.1169.7172.10000108.5P149 L152 L153 V266 L267 A268 I443 V445P149-V325 HydrophobicContact CB-CG1 3.76Å; L152-V325 HydrophobicContact CB-CG2 4.02Å; L153-V325 HydrophobicContact CD2-CB 4.06Å; L153-V325 HydrophobicContact CD2-CG2 3.6Å; L153-V325 HydrophobicContact CG-CB 4.17Å; L153-V325 HydrophobicContact CG-CG2 3.69Å; V266-V325 PolarHBondContact O-N 2.85Å; L267-V325 HydrophobicContact CD1-CB 4.06Å; L267-V325 HydrophobicContact CD1-CG1 3.99Å; A268-V325 PolarHBondContact N-O 2.78Å; V325-I443 HydrophobicContact CG1-CD1 3.42Å; V325-I443 VanDerWaalsContact CG1-CD1 3.42Å; V325-I443 HydrophobicContact CG1-CG1 3.77Å; V325-V445 HydrophobicContact CG2-CG1 4.15Å; V325-V445 HydrophobicContact CG2-CG2 4.25Å
326Y98.8Very high93.2Very high0 Ų029 Ų290%018%0.177CC..EExtended strand (participates in β ladder)trans-96.3129.1169.9176.5-96.2000108.5A268 V270 Q300 L304 T328 E335 V339 V340 F442 I443 A444A268-Y326 HydrophobicContact CB-CD2 4.32Å; V270-Y326 HydrophobicContact CB-CE2 4.27Å; V270-Y326 HydrophobicContact CG1-CD2 4.12Å; V270-Y326 HydrophobicContact CG1-CE2 3.7Å; V270-Y326 HydrophobicContact CG2-CD2 4.42Å; V270-Y326 HydrophobicContact CG2-CE2 3.52Å; V270-Y326 WeakPolarHBondContact CG2-OH 3.39Å; Q300-Y326 HydrophobicContact CB-CE2 4.48Å; Q300-Y326 WeakPolarHBondContact CB-OH 3.34Å; L304-Y326 HydrophobicContact CB-CD2 4.15Å; L304-Y326 HydrophobicContact CB-CE2 4.39Å; L304-Y326 HydrophobicContact CD1-CD2 4.17Å; L304-Y326 HydrophobicContact CD1-CG 4.46Å; L304-Y326 HydrophobicContact CD2-CD2 4.21Å; L304-Y326 HydrophobicContact CD2-CG 4.43Å; L304-Y326 HydrophobicContact CG-CD2 4.4Å; Y326-T328 HydrophobicContact CE1-CG2 3.6Å; Y326-T328 WeakPolarHBondContact OH-CG2 3.29Å; Y326-E335 PolarHBondContact OH-O 3.45Å; Y326-V339 HydrophobicContact CE1-CG1 4.48Å; Y326-V339 HydrophobicContact CE2-CG1 3.98Å; Y326-V340 HydrophobicContact CD1-CG2 3.94Å; Y326-V340 HydrophobicContact CE1-CG2 4.27Å; Y326-F442 HydrophobicContact CD1-CD1 4.25Å; Y326-F442 AromaticContact CD1-CE1 3.97Å; Y326-F442 HydrophobicContact CD1-CE1 3.97Å; Y326-F442 HydrophobicContact CE1-CD1 4.16Å; Y326-F442 HydrophobicContact CE1-CE1 4.01Å; Y326-I443 CarbonylContact O-C 3.23Å; Y326-I443 WeakPolarHBondContact O-CA 3.07Å; Y326-A444 PolarHBondContact N-O 3.42Å; Y326-A444 PolarHBondContact O-N 3.11Å
327S98.5Very high94.2Very high0 Ų025.8 Ų25.80%014%0.143CC..EExtended strand (participates in β ladder)trans-139.9149.6175.959.40000112.8A268 D269 V270 F442A268-S327 PolarHBondContact O-N 2.89Å; D269-S327 WeakPolarHBondContact CA-OG 3.49Å; D269-S327 PolarHBondContact OD1-OG 3.35Å; V270-S327 PolarHBondContact N-O 2.95Å; V270-S327 VanDerWaalsContact N-O 3.13Å; S327-F442 WeakPolarHBondContact CA-O 3.41Å; S327-F442 WeakPolarHBondContact CB-O 3.46Å
328T98.4Very high95.3Very high0 Ų017.6 Ų17.60%010%0.1CC..EExtended strand (participates in β ladder)trans-133.7154.8170.3860000110.5V270 Y326 S330 N336 F441 F442V270-T328 HydrophobicContact CG2-CG2 3.8Å; Y326-T328 HydrophobicContact CE1-CG2 3.6Å; Y326-T328 WeakPolarHBondContact OH-CG2 3.29Å; T328-S330 PolarHBondContact O-N 3.12Å; T328-S330 PolarHBondContact OG1-N 3.33Å; T328-S330 VanDerWaalsContact OG1-N 3.1Å; T328-S330 PolarHBondContact OG1-O 3.26Å; T328-N336 VanDerWaalsContact CG2-OD1 3.31Å; T328-N336 WeakPolarHBondContact CG2-OD1 3.38Å; T328-N336 PolarHBondContact OG1-OD1 3.36Å; T328-F441 VanDerWaalsContact O-CD2 3.27Å; T328-F441 WeakPolarHBondContact O-CD2 3.46Å; T328-F441 WeakPolarHBondContact O-CE2 3.28Å; T328-F442 PolarHBondContact N-O 3.44Å; T328-F442 PolarHBondContact O-N 2.94Å
329C97.2Very high96.5Very high33 Ų3315 Ų1522%0.2238%0.081CC..SBendtrans-85.830168.743.40000112.8C272 G274 G276 T277C272-C329 WeakPolarHBondContact CB-SG 3.47Å; C272-C329 WeakPolarHBondContact SG-CA 3.48Å; C272-C329 WeakPolarHBondContact SG-CB 3.45Å; C272-C329 PolarHBondContact SG-N 2.68Å; C272-C329 CovalentContact SG-SG 2.08Å; C272-C329 PolarHBondContact SG-SG 3Å; G274-C329 CarbonylContact C-O 3.54Å; G276-C329 WeakPolarHBondContact CA-O 3.37Å; G276-C329 PolarHBondContact N-O 2.9Å; T277-C329 HydrophobicContact CG2-CB 3.73Å
330S97.8Very high97.4Very high0 Ų09 Ų90%05%0.045CC..  trans-131149.3-170.3179.10000113.6S273 D275 T328 N332 E335 N336S273-S330 PolarHBondContact OG-OG 3.2Å; D275-S330 VanDerWaalsContact CG-OG 3.31Å; D275-S330 WeakPolarHBondContact OD1-CA 3.4Å; D275-S330 VanDerWaalsContact OD1-CB 3.25Å; D275-S330 WeakPolarHBondContact OD1-CB 3.36Å; D275-S330 PolarHBondContact OD1-OG 3.09Å; D275-S330 PolarHBondContact OD2-OG 3.01Å; T328-S330 PolarHBondContact O-N 3.12Å; T328-S330 PolarHBondContact OG1-N 3.33Å; T328-S330 VanDerWaalsContact OG1-N 3.1Å; T328-S330 PolarHBondContact OG1-O 3.26Å; S330-N332 VanDerWaalsContact OG-CB 3.25Å; S330-N332 WeakPolarHBondContact OG-CB 3.39Å; S330-N332 PolarHBondContact OG-N 3.16Å; S330-E335 PolarHBondContact OG-OE1 3.41Å; S330-N336 PolarHBondContact O-ND2 2.88Å
331F97.8Very high97.9Very high0 Ų05.7 Ų5.70%03%0.027CC..  trans-87.3-11.9168.2-55.7-62.2000113.4Y28 I33 F42 L46 D275 P333 R430 L432 P433Y28-F331 HydrophobicContact CD1-CB 4.24Å; Y28-F331 HydrophobicContact CE1-CB 3.54Å; I33-F331 HydrophobicContact CD1-CB 3.89Å; I33-F331 HydrophobicContact CD1-CG 4.24Å; F42-F331 HydrophobicContact CE2-CE1 4.12Å; F42-F331 HydrophobicContact CE2-CE2 4.14Å; F42-F331 AromaticContact CE2-CZ 3.79Å; F42-F331 HydrophobicContact CE2-CZ 3.79Å; F42-F331 HydrophobicContact CZ-CD2 4.23Å; F42-F331 HydrophobicContact CZ-CE1 4.47Å; F42-F331 AromaticContact CZ-CE2 3.88Å; F42-F331 HydrophobicContact CZ-CE2 3.88Å; F42-F331 HydrophobicContact CZ-CZ 4.01Å; L46-F331 HydrophobicContact CD2-CE2 3.98Å; L46-F331 HydrophobicContact CD2-CZ 4.1Å; D275-F331 WeakPolarHBondContact O-CE2 3.36Å; D275-F331 PolarHBondContact OD1-N 3.01Å; F331-P333 WeakPolarHBondContact O-CD 3.41Å; F331-R430 PolarHBondContact O-NH1 3.05Å; F331-R430 VanDerWaalsContact O-NH1 3.09Å; F331-L432 HydrophobicContact CD1-CD2 3.92Å; F331-L432 HydrophobicContact CE1-CD2 3.82Å; F331-P433 HydrophobicContact CZ-CG 3.95Å
332N97.7Very high98.1Very high1 Ų14.8 Ų4.81%0.0053%0.028CC..  trans-71.3119.5-166.6-168.1-12.9000112.1Y27 S330 V334 E335 N336Y27-N332 PolarHBondContact OH-OD1 3.21Å; S330-N332 VanDerWaalsContact OG-CB 3.25Å; S330-N332 WeakPolarHBondContact OG-CB 3.39Å; S330-N332 PolarHBondContact OG-N 3.16Å; N332-V334 PolarHBondContact O-N 2.74Å; N332-V334 WeakPolarHBondContact OD1-CB 3.38Å; N332-V334 PolarHBondContact OD1-N 3.02Å; N332-V334 VanDerWaalsContact OD1-N 3.14Å; N332-E335 HydrophobicContact CB-CB 4.34Å; N332-E335 HydrophobicContact CB-CG 4.19Å; N332-E335 WeakPolarHBondContact CB-OE1 3.23Å; N332-E335 PolarHBondContact ND2-OE1 2.84Å; N332-E335 PolarHBondContact O-N 3.16Å; N332-N336 PolarHBondContact N-ND2 3.13Å; N332-N336 VanDerWaalsContact O-CB 3.3Å; N332-N336 WeakPolarHBondContact O-CB 3.35Å; N332-N336 PolarHBondContact O-N 3.14Å; N332-N336 PolarHBondContact O-ND2 2.83Å
333P98.2Very high98.2Very high0 Ų05.1 Ų5.10%03%0.03CC..THydrogen-bonded Turntrans-60.8-26.8179.122.5-32.5000113.4Q31 F331 E335 N336 E337 A338 L383 W386Q31-P333 HydrophobicContact CG-CG 4.24Å; F331-P333 WeakPolarHBondContact O-CD 3.41Å; P333-E335 VanDerWaalsContact C-N 3.26Å; P333-E335 PolarHBondContact O-N 2.92Å; P333-N336 CarbonylContact O-C 3.52Å; P333-N336 PolarHBondContact O-N 3.45Å; P333-E337 WeakPolarHBondContact CA-OE2 3.47Å; P333-E337 PolarHBondContact O-N 2.7Å; P333-A338 WeakPolarHBondContact O-CB 3.35Å; P333-A338 PolarHBondContact O-N 3.39Å; P333-L383 HydrophobicContact CB-CD1 4.23Å; P333-L383 HydrophobicContact CG-CD1 4.49Å; P333-W386 HydrophobicContact CB-CB 3.7Å; P333-W386 HydrophobicContact CB-CD2 4.16Å; P333-W386 HydrophobicContact CB-CG 3.76Å; P333-W386 HydrophobicContact CG-CB 3.72Å; P333-W386 HydrophobicContact CG-CG 4.16Å
334V98.1Very high98.3Very high0 Ų04 Ų40%03%0.027CC..THydrogen-bonded Turntrans-64-33.1176-178.40000111.9H297 N332 I388 M414H297-V334 HydrophobicContact CB-CG1 3.96Å; H297-V334 PolarHBondContact ND1-O 2.68Å; N332-V334 PolarHBondContact O-N 2.74Å; N332-V334 WeakPolarHBondContact OD1-CB 3.38Å; N332-V334 PolarHBondContact OD1-N 3.02Å; N332-V334 VanDerWaalsContact OD1-N 3.14Å; V334-I388 HydrophobicContact CG2-CD1 3.41Å; V334-I388 VanDerWaalsContact CG2-CD1 3.41Å; V334-M414 HydrophobicContact CG1-CB 4.49Å; V334-M414 HydrophobicContact CG1-CG 4.17Å; V334-M414 HydrophobicContact CG1-SD 4.5Å
335E98.4Very high98.2Very high0 Ų08.1 Ų8.10%05%0.046CC..THydrogen-bonded Turntrans-90.8-11178.6-63.5178.1-111.400112.7C272 S273 G293 E296 Q300 Y326 S330 N332 P333 V339C272-E335 WeakPolarHBondContact CA-OE2 3.01Å; S273-E335 WeakPolarHBondContact CB-OE1 3.15Å; S273-E335 PolarHBondContact N-OE2 2.84Å; S273-E335 PolarHBondContact OG-OE1 2.89Å; S273-E335 PolarHBondContact OG-OE2 2.75Å; G293-E335 VanDerWaalsContact CA-CD 3.44Å; G293-E335 WeakPolarHBondContact CA-OE1 2.87Å; E296-E335 HydrophobicContact CB-CG 4.43Å; Q300-E335 PolarHBondContact NE2-OE2 3Å; Q300-E335 VanDerWaalsContact OE1-CB 3.29Å; Q300-E335 PolarHBondContact OE1-O 3.32Å; Y326-E335 PolarHBondContact OH-O 3.45Å; S330-E335 PolarHBondContact OG-OE1 3.41Å; N332-E335 HydrophobicContact CB-CB 4.34Å; N332-E335 HydrophobicContact CB-CG 4.19Å; N332-E335 WeakPolarHBondContact CB-OE1 3.23Å; N332-E335 PolarHBondContact ND2-OE1 2.84Å; N332-E335 PolarHBondContact O-N 3.16Å; P333-E335 VanDerWaalsContact C-N 3.26Å; P333-E335 PolarHBondContact O-N 2.92Å; E335-V339 WeakPolarHBondContact O-CG2 3.25Å
336N98.6Very high98.1Very high0 Ų010 Ų100%06%0.061CC..THydrogen-bonded Turntrans-116.5-97-167.2-70.8-25.5000109.4T328 S330 N332 P333 A338 V339 V340 R430 F442T328-N336 VanDerWaalsContact CG2-OD1 3.31Å; T328-N336 WeakPolarHBondContact CG2-OD1 3.38Å; T328-N336 PolarHBondContact OG1-OD1 3.36Å; S330-N336 PolarHBondContact O-ND2 2.88Å; N332-N336 PolarHBondContact N-ND2 3.13Å; N332-N336 VanDerWaalsContact O-CB 3.3Å; N332-N336 WeakPolarHBondContact O-CB 3.35Å; N332-N336 PolarHBondContact O-N 3.14Å; N332-N336 PolarHBondContact O-ND2 2.83Å; P333-N336 CarbonylContact O-C 3.52Å; P333-N336 PolarHBondContact O-N 3.45Å; N336-A338 VanDerWaalsContact C-N 3.29Å; N336-A338 PolarHBondContact O-N 3.44Å; N336-V339 PolarHBondContact O-N 3.19Å; N336-V339 VanDerWaalsContact O-N 3.13Å; N336-V340 WeakPolarHBondContact O-CG2 3.43Å; N336-V340 PolarHBondContact O-N 2.63Å; N336-R430 PolarHBondContact ND2-NH1 3.29Å; N336-R430 VanDerWaalsContact ND2-NH1 3.14Å; N336-F442 HydrophobicContact CB-CB 4.41Å; N336-F442 HydrophobicContact CB-CD1 3.69Å; N336-F442 HydrophobicContact CB-CD2 3.69Å; N336-F442 HydrophobicContact CB-CE1 3.72Å; N336-F442 HydrophobicContact CB-CE2 3.71Å; N336-F442 HydrophobicContact CB-CG 3.66Å; N336-F442 HydrophobicContact CB-CZ 3.72Å; N336-F442 WeakPolarHBondContact OD1-CB 3.42Å; N336-F442 VanDerWaalsContact OD1-CD1 3.27Å; N336-F442 WeakPolarHBondContact OD1-CD1 3.34Å; N336-F442 VanDerWaalsContact OD1-CG 3.31Å; N336-F442 WeakPolarHBondContact OD1-CG 3.32Å
337E98.5Very high97.9Very high0 Ų010 Ų100%06%0.061CC..Hα-helixtrans-58.1-37.8-177.7-6894.3153.800112.8P333 V339 V340 A341 G382 L383 W386 L425 R430 F442P333-E337 WeakPolarHBondContact CA-OE2 3.47Å; P333-E337 PolarHBondContact O-N 2.7Å; E337-V339 PolarHBondContact O-N 3.47Å; E337-V340 PolarHBondContact O-N 2.99Å; E337-A341 WeakPolarHBondContact O-CB 3.27Å; E337-A341 PolarHBondContact O-N 2.89Å; E337-G382 WeakPolarHBondContact OE1-CA 3.4Å; E337-L383 HydrophobicContact CG-CB 4.36Å; E337-L383 PolarHBondContact OE1-N 2.72Å; E337-W386 HydrophobicContact CB-CE3 3.99Å; E337-W386 HydrophobicContact CB-CH2 3.93Å; E337-W386 HydrophobicContact CB-CZ3 3.56Å; E337-L425 HydrophobicContact CB-CD1 4.33Å; E337-R430 IonicContact OE1-CZ 2.58Å; E337-R430 IonicContact OE1-NH2 3.03Å; E337-R430 PolarHBondContact OE1-NH2 3.22Å; E337-R430 IonicContact OE2-CZ 2.76Å; E337-R430 IonicContact OE2-NH2 3.56Å; E337-R430 PolarHBondContact OE2-NH2 2.99Å; E337-F442 HydrophobicContact CG-CE2 4.12Å; E337-F442 HydrophobicContact CG-CZ 4.31Å
338A98.5Very high97.7Very high1 Ų120.1 Ų20.11%0.00810%0.099CC..Hα-helixtrans-65-39.2177.700000112.8P333 N336 S342 W386P333-A338 WeakPolarHBondContact O-CB 3.35Å; P333-A338 PolarHBondContact O-N 3.39Å; N336-A338 VanDerWaalsContact C-N 3.29Å; N336-A338 PolarHBondContact O-N 3.44Å; A338-S342 WeakPolarHBondContact O-CB 3.44Å; A338-S342 PolarHBondContact O-N 3.05Å; A338-W386 VanDerWaalsContact CA-CZ2 3.43Å; A338-W386 HydrophobicContact CB-CZ2 3.62Å
339V98.7Very high97.6Very high0 Ų022.7 Ų22.70%013%0.126CC..Hα-helixtrans-65.5-49.9176.5172.80000110.1Q300 L304 Y326 E335 N336 E337 S342 V343Q300-V339 HydrophobicContact CB-CG1 4.08Å; Q300-V339 HydrophobicContact CB-CG2 3.82Å; L304-V339 HydrophobicContact CB-CG1 4.44Å; L304-V339 HydrophobicContact CD2-CG1 3.93Å; Y326-V339 HydrophobicContact CE1-CG1 4.48Å; Y326-V339 HydrophobicContact CE2-CG1 3.98Å; E335-V339 WeakPolarHBondContact O-CG2 3.25Å; N336-V339 PolarHBondContact O-N 3.19Å; N336-V339 VanDerWaalsContact O-N 3.13Å; E337-V339 PolarHBondContact O-N 3.47Å; V339-S342 PolarHBondContact O-N 2.87Å; V339-V343 WeakPolarHBondContact O-CG2 3.45Å; V339-V343 PolarHBondContact O-N 2.82Å; V339-V343 VanDerWaalsContact O-N 3.12Å
340V98.7Very high97.4Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-61.3-48.5179.9174.30000110.4Y326 N336 E337 S342 V343 L344 L353 L425 F442 A444Y326-V340 HydrophobicContact CD1-CG2 3.94Å; Y326-V340 HydrophobicContact CE1-CG2 4.27Å; N336-V340 WeakPolarHBondContact O-CG2 3.43Å; N336-V340 PolarHBondContact O-N 2.63Å; E337-V340 PolarHBondContact O-N 2.99Å; V340-S342 PolarHBondContact O-N 2.81Å; V340-V343 PolarHBondContact O-N 3.49Å; V340-L344 HydrophobicContact CG1-CD1 3.6Å; V340-L344 HydrophobicContact CG1-CG 4.21Å; V340-L344 WeakPolarHBondContact O-CB 3.22Å; V340-L344 VanDerWaalsContact O-CG 3.28Å; V340-L344 WeakPolarHBondContact O-CG 3.23Å; V340-L344 PolarHBondContact O-N 2.89Å; V340-L353 HydrophobicContact CG1-CD1 4.07Å; V340-L353 HydrophobicContact CG1-CD2 4.04Å; V340-L353 HydrophobicContact CG1-CG 4.4Å; V340-L425 HydrophobicContact CG1-CD2 4.19Å; V340-F442 HydrophobicContact CG2-CE1 4.08Å; V340-F442 HydrophobicContact CG2-CZ 4.32Å; V340-A444 HydrophobicContact CG1-CB 4.49Å; V340-A444 HydrophobicContact CG2-CB 3.83Å
341A98.5Very high97.4Very high0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-62.8-44.5-179.700000112E337 V343 L344 H345 W386 P417 L423 L425E337-A341 WeakPolarHBondContact O-CB 3.27Å; E337-A341 PolarHBondContact O-N 2.89Å; A341-V343 VanDerWaalsContact C-N 3.34Å; A341-V343 PolarHBondContact O-N 3.39Å; A341-L344 PolarHBondContact O-N 3.29Å; A341-H345 WeakPolarHBondContact O-CB 3.22Å; A341-H345 PolarHBondContact O-N 2.84Å; A341-W386 HydrophobicContact CB-CH2 4.13Å; A341-P417 HydrophobicContact CB-CG 4.16Å; A341-L423 HydrophobicContact CB-CD1 3.82Å; A341-L425 HydrophobicContact CB-CD1 4.04Å; A341-L425 HydrophobicContact CB-CD2 4.24Å
342S97.9Very high97.3Very high34 Ų3427.3 Ų27.324%0.23814%0.142CC..Hα-helixtrans-59.7-44.7178.3177.30000111.9A338 V339 V340 A346 S413A338-S342 WeakPolarHBondContact O-CB 3.44Å; A338-S342 PolarHBondContact O-N 3.05Å; V339-S342 PolarHBondContact O-N 2.87Å; V340-S342 PolarHBondContact O-N 2.81Å; S342-A346 PolarHBondContact O-N 2.88Å; S342-S413 WeakPolarHBondContact OG-CB 3.17Å
343V98.2Very high97.3Very high8 Ų827.5 Ų27.55%0.04814%0.143CC..Hα-helixtrans-73.2-42.1-179.3177.80000111.6L304 L308 V339 V340 A341 H345 A346 C347L304-V343 HydrophobicContact CB-CG2 4.33Å; L304-V343 HydrophobicContact CD2-CB 3.92Å; L304-V343 HydrophobicContact CD2-CG1 4.27Å; L304-V343 HydrophobicContact CD2-CG2 3.89Å; L304-V343 HydrophobicContact CG-CB 4.25Å; L304-V343 HydrophobicContact CG-CG1 4.11Å; L304-V343 HydrophobicContact CG-CG2 4.1Å; L308-V343 HydrophobicContact CD1-CG1 3.48Å; L308-V343 VanDerWaalsContact CD1-CG1 3.48Å; V339-V343 WeakPolarHBondContact O-CG2 3.45Å; V339-V343 PolarHBondContact O-N 2.82Å; V339-V343 VanDerWaalsContact O-N 3.12Å; V340-V343 PolarHBondContact O-N 3.49Å; A341-V343 VanDerWaalsContact C-N 3.34Å; A341-V343 PolarHBondContact O-N 3.39Å; V343-H345 VanDerWaalsContact C-N 3.35Å; V343-H345 PolarHBondContact O-N 3.13Å; V343-A346 WeakPolarHBondContact O-CB 3.37Å; V343-A346 PolarHBondContact O-N 3.11Å; V343-C347 PolarHBondContact O-N 3.03Å; V343-C347 PolarHBondContact O-SG 3.12Å
344L98.2Very high97.2Very high7 Ų728.4 Ų28.44%0.03715%0.147CC..Hα-helixtrans-63-40.9176.2-72.6174.2000112.1V340 A341 A346 C347 R348 V351 L353 L423 L425 L446V340-L344 HydrophobicContact CG1-CD1 3.6Å; V340-L344 HydrophobicContact CG1-CG 4.21Å; V340-L344 WeakPolarHBondContact O-CB 3.22Å; V340-L344 VanDerWaalsContact O-CG 3.28Å; V340-L344 WeakPolarHBondContact O-CG 3.23Å; V340-L344 PolarHBondContact O-N 2.89Å; A341-L344 PolarHBondContact O-N 3.29Å; L344-A346 VanDerWaalsContact C-N 3.29Å; L344-A346 PolarHBondContact O-N 3.43Å; L344-C347 WeakPolarHBondContact O-CA 3.19Å; L344-C347 WeakPolarHBondContact O-CB 3.25Å; L344-C347 PolarHBondContact O-N 2.71Å; L344-R348 PolarHBondContact O-N 3.35Å; L344-V351 HydrophobicContact CD2-CB 4.1Å; L344-V351 HydrophobicContact CD2-CG1 3.86Å; L344-L353 HydrophobicContact CD1-CD1 3.79Å; L344-L353 HydrophobicContact CD1-CG 3.79Å; L344-L423 HydrophobicContact CB-CD1 4.46Å; L344-L423 HydrophobicContact CB-CD2 3.97Å; L344-L423 HydrophobicContact CD1-CB 4.47Å; L344-L425 HydrophobicContact CD1-CD2 4.5Å; L344-L446 HydrophobicContact CD2-CD2 3.89Å; L344-L446 HydrophobicContact CG-CD2 4.39Å
345H96.8Very high96.7Very high86 Ų8632 Ų3240%0.39816%0.164SC..Hα-helixtrans-56.1-45.5173.3178.378.9000111A341 V343 C347 R348 P417 N419A341-H345 WeakPolarHBondContact O-CB 3.22Å; A341-H345 PolarHBondContact O-N 2.84Å; V343-H345 VanDerWaalsContact C-N 3.35Å; V343-H345 PolarHBondContact O-N 3.13Å; H345-C347 VanDerWaalsContact C-N 3.27Å; H345-C347 PolarHBondContact O-N 2.78Å; H345-R348 PolarHBondContact O-N 3.27Å; H345-P417 HydrophobicContact CB-CB 4.4Å; H345-P417 HydrophobicContact CB-CG 4.45Å; H345-N419 PolarHBondContact ND1-OD1 3.44Å
346A96Very high95.8Very high40 Ų4032.7 Ų32.733%0.33117%0.168SC..Hα-helixtrans-63.7-32.2175.300000112.8S342 V343 L344 R348 W454S342-A346 PolarHBondContact O-N 2.88Å; V343-A346 WeakPolarHBondContact O-CB 3.37Å; V343-A346 PolarHBondContact O-N 3.11Å; L344-A346 VanDerWaalsContact C-N 3.29Å; L344-A346 PolarHBondContact O-N 3.43Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.97Å; A346-W454 HydrophobicContact CB-CH2 4.37Å; A346-W454 HydrophobicContact CB-CZ3 3.82Å; A346-W454 WeakPolarHBondContact O-CZ3 3.49Å
347C96.4Very high94.8Very high0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-72.3-14.4-178.8-66.30000113.9V343 L344 H345 G349 T350 V351 P453V343-C347 PolarHBondContact O-N 3.03Å; V343-C347 PolarHBondContact O-SG 3.12Å; L344-C347 WeakPolarHBondContact O-CA 3.19Å; L344-C347 WeakPolarHBondContact O-CB 3.25Å; L344-C347 PolarHBondContact O-N 2.71Å; H345-C347 VanDerWaalsContact C-N 3.27Å; H345-C347 PolarHBondContact O-N 2.78Å; C347-G349 PolarHBondContact O-N 3Å; C347-G349 VanDerWaalsContact O-N 3.15Å; C347-T350 WeakPolarHBondContact O-CG2 3.39Å; C347-T350 PolarHBondContact O-N 2.87Å; C347-T350 PolarHBondContact O-OG1 3.11Å; C347-V351 HydrophobicContact CB-CB 4.03Å; C347-V351 HydrophobicContact CB-CG2 4.04Å; C347-P453 VanDerWaalsContact O-CG 3.22Å; C347-P453 WeakPolarHBondContact O-CG 3.4Å
348R94.2Very high93.3Very high212 Ų21239.7 Ų39.780%0.821%0.206SC*.THydrogen-bonded Turntrans49.543.2176.1-56.7-179.8-177.7-174.8-0.7113.5L344 H345 A346 P453L344-R348 PolarHBondContact O-N 3.35Å; H345-R348 PolarHBondContact O-N 3.27Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.97Å; R348-P453 HydrophobicContact CB-CG 4.08Å; R348-P453 HydrophobicContact CG-CG 4.3Å
349G94.4Very high91.8Very high54 Ų5440.1 Ų40.156%0.55721%0.208SC*.THydrogen-bonded Turntrans84.1-1.6177.600000116.1C347 V351 I449C347-G349 PolarHBondContact O-N 3Å; C347-G349 VanDerWaalsContact O-N 3.15Å; G349-V351 PolarHBondContact O-N 2.86Å; G349-I449 WeakPolarHBondContact O-CD1 3.29Å
350T94.8Very high90.1Very high20 Ų2044.9 Ų44.912%0.12323%0.23CC..SBendtrans-76-10.2177.568.90000113.6C347 I449 A450 P451 P453C347-T350 WeakPolarHBondContact O-CG2 3.39Å; C347-T350 PolarHBondContact O-N 2.87Å; C347-T350 PolarHBondContact O-OG1 3.11Å; T350-I449 WeakPolarHBondContact O-CG1 3.45Å; T350-I449 PolarHBondContact O-N 3.19Å; T350-A450 HydrophobicContact CG2-CB 3.99Å; T350-A450 PolarHBondContact O-N 3.3Å; T350-P451 WeakPolarHBondContact CG2-O 3.26Å; T350-P453 HydrophobicContact CG2-CG 4.09Å
351V97.3Very high88.1Confident7 Ų745.7 Ų45.74%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-133.4138.6177.3-178.80000107.4L308 L344 C347 G349 L446 E447 K448 L452L308-V351 HydrophobicContact CD1-CG1 4.45Å; L308-V351 HydrophobicContact CD1-CG2 4.3Å; L308-V351 HydrophobicContact CD2-CG1 3.95Å; L308-V351 HydrophobicContact CD2-CG2 4.18Å; L344-V351 HydrophobicContact CD2-CB 4.1Å; L344-V351 HydrophobicContact CD2-CG1 3.86Å; C347-V351 HydrophobicContact CB-CB 4.03Å; C347-V351 HydrophobicContact CB-CG2 4.04Å; G349-V351 PolarHBondContact O-N 2.86Å; V351-L446 HydrophobicContact CG1-CB 3.95Å; V351-L446 HydrophobicContact CG1-CD2 3.85Å; V351-E447 WeakPolarHBondContact CA-O 3.34Å; V351-K448 HydrophobicContact CG2-CB 4.46Å; V351-K448 HydrophobicContact CG2-CG 4.36Å; V351-L452 HydrophobicContact CG2-CD2 3.54Å
352R96Very high85.8Confident104 Ų10450.8 Ų50.839%0.39226%0.264SS..EExtended strand (participates in β ladder)trans-129153.2-179.967.6180-176.3-178.32.4111.8I354 L446 E447 I449R352-I354 HydrophobicContact CG-CG2 4.06Å; R352-L446 VanDerWaalsContact O-CA 3.3Å; R352-L446 WeakPolarHBondContact O-CA 3.29Å; R352-E447 HydrophobicContact CG-CB 4.28Å; R352-E447 IonicContact CZ-OE2 3.41Å; R352-E447 PolarHBondContact N-O 2.79Å; R352-E447 IonicContact NE-OE2 3.86Å; R352-E447 PolarHBondContact NE-OE2 3.2Å; R352-E447 IonicContact NH2-OE2 3.55Å; R352-E447 PolarHBondContact NH2-OE2 3.12Å; R352-E447 PolarHBondContact O-N 2.74Å; R352-I449 HydrophobicContact CG-CG2 4.14Å
353L97.7Very high83.6Confident4 Ų451 Ų512%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-78.8141.1164.4-72.8167.3000110.4V340 L344 H424 L425 R427 A444 V445 L446V340-L353 HydrophobicContact CG1-CD1 4.07Å; V340-L353 HydrophobicContact CG1-CD2 4.04Å; V340-L353 HydrophobicContact CG1-CG 4.4Å; L344-L353 HydrophobicContact CD1-CD1 3.79Å; L344-L353 HydrophobicContact CD1-CG 3.79Å; L353-H424 WeakPolarHBondContact CD1-O 3.15Å; L353-L425 HydrophobicContact CD1-CD2 3.99Å; L353-R427 HydrophobicContact CB-CB 3.85Å; L353-R427 HydrophobicContact CD1-CB 4.5Å; L353-R427 WeakPolarHBondContact O-CD 2.99Å; L353-R427 PolarHBondContact O-NH1 3.44Å; L353-A444 HydrophobicContact CD2-CB 3.83Å; L353-V445 WeakPolarHBondContact CA-O 3.35Å; L353-L446 HydrophobicContact CD2-CG 4.09Å
354I95Very high81.1Confident19 Ų1956.1 Ų56.110%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-128.6161.2174.762.2151.3000111.1R323 R352 P356 V445 E447R323-I354 VanDerWaalsContact CZ-CD1 3.48Å; R352-I354 HydrophobicContact CG-CG2 4.06Å; I354-P356 HydrophobicContact CD1-CG 3.97Å; I354-P356 HydrophobicContact CG1-CG 4.48Å; I354-V445 HydrophobicContact CD1-CB 4.48Å; I354-V445 HydrophobicContact CD1-CG1 3.73Å; I354-V445 HydrophobicContact CG1-CB 3.92Å; I354-V445 HydrophobicContact CG1-CG1 3.63Å; I354-V445 PolarHBondContact N-O 3.02Å; I354-E447 HydrophobicContact CD1-CG 3.78Å; I354-E447 WeakPolarHBondContact CD1-OE1 3.5Å; I354-E447 HydrophobicContact CG1-CG 4.13Å; I354-E447 HydrophobicContact CG2-CB 4.3Å; I354-E447 HydrophobicContact CG2-CG 4.02Å
355E88.7Confident78.5Confident77 Ų7762.2 Ų62.236%0.3633%0.329SS..  trans-117.698.1173-65.3177.899.500108.1R427 K429E355-R427 HydrophobicContact CG-CB 3.8Å; E355-R427 HydrophobicContact CG-CG 3.8Å; E355-K429 WeakPolarHBondContact OE1-CE 3.35Å; E355-K429 IonicContact OE1-NZ 2.65Å; E355-K429 PolarHBondContact OE1-NZ 3.18Å
356P79.7Confident76.2Confident13 Ų1362.6 Ų62.68%0.08434%0.341CS..  trans-64.3144.9178.3-24.934.5000112.6L152 I354 I358 L359 V445L152-P356 HydrophobicContact CD2-CB 3.96Å; L152-P356 HydrophobicContact CD2-CG 3.83Å; I354-P356 HydrophobicContact CD1-CG 3.97Å; I354-P356 HydrophobicContact CG1-CG 4.48Å; P356-I358 HydrophobicContact CB-CG2 4.18Å; P356-I358 PolarHBondContact O-N 2.87Å; P356-L359 VanDerWaalsContact O-CB 3.23Å; P356-L359 WeakPolarHBondContact O-CB 3.19Å; P356-L359 WeakPolarHBondContact O-CG 3.33Å; P356-L359 PolarHBondContact O-N 2.8Å; P356-V445 HydrophobicContact CG-CB 4.2Å; P356-V445 HydrophobicContact CG-CG1 3.88Å; P356-V445 HydrophobicContact CG-CG2 4.04Å
357D76Confident73.9Confident106 Ų10662.8 Ų62.857%0.56734%0.34SS*.G310 helixtrans-52.3-30-179.1-54.1-14.2000114.4L359 E360 G361 I362D357-L359 PolarHBondContact O-N 2.85Å; D357-E360 WeakPolarHBondContact O-CA 3.49Å; D357-E360 WeakPolarHBondContact O-CB 3.25Å; D357-E360 PolarHBondContact O-N 3.49Å; D357-G361 PolarHBondContact O-N 2.8Å; D357-I362 HydrophobicContact CB-CB 4.37Å; D357-I362 PolarHBondContact O-N 3.34Å
358I68.5Low71.6Confident42 Ų4272 Ų7222%0.21538%0.383CS..G310 helixtrans-62-25176-163.6162.7000112.7P103 L151 L152 P356 E360 L363P103-I358 HydrophobicContact CG-CD1 4.41Å; L151-I358 HydrophobicContact CB-CD1 3.94Å; L151-I358 HydrophobicContact CD1-CD1 4.16Å; L151-I358 HydrophobicContact CG-CD1 4.46Å; L152-I358 HydrophobicContact CD2-CG2 3.36Å; L152-I358 HydrophobicContact CG-CG2 4.26Å; P356-I358 HydrophobicContact CB-CG2 4.18Å; P356-I358 PolarHBondContact O-N 2.87Å; I358-E360 VanDerWaalsContact C-N 3.29Å; I358-L363 HydrophobicContact CD1-CD2 4.04Å; I358-L363 HydrophobicContact CG1-CD2 3.99Å
359L66Low69.4Low9 Ų967.3 Ų67.35%0.04737%0.374CS..G310 helixtrans-72.7-23.8170.7-59.8176.5000112.1L152 P356 D357 K376 F379 K429L152-L359 HydrophobicContact CD1-CD2 4.11Å; L152-L359 HydrophobicContact CD2-CD1 4.13Å; L152-L359 HydrophobicContact CD2-CD2 3.55Å; L152-L359 HydrophobicContact CD2-CG 3.59Å; L152-L359 HydrophobicContact CG-CD2 4.43Å; P356-L359 VanDerWaalsContact O-CB 3.23Å; P356-L359 WeakPolarHBondContact O-CB 3.19Å; P356-L359 WeakPolarHBondContact O-CG 3.33Å; P356-L359 PolarHBondContact O-N 2.8Å; D357-L359 PolarHBondContact O-N 2.85Å; L359-K376 WeakPolarHBondContact O-CE 3.46Å; L359-F379 HydrophobicContact CB-CE2 4.31Å; L359-F379 HydrophobicContact CD2-CD2 4.04Å; L359-F379 HydrophobicContact CD2-CE1 4.23Å; L359-F379 HydrophobicContact CD2-CE2 3.23Å; L359-F379 HydrophobicContact CD2-CZ 3.34Å; L359-F379 HydrophobicContact CG-CE2 4.36Å; L359-K429 HydrophobicContact CD1-CG 4.01Å
360E63.1Low67.1Low100 Ų10074.6 Ų74.647%0.46739%0.39SS..THydrogen-bonded Turntrans-87.9-9.9180-59.9-161.8159.300113.3D357 I358 I362D357-E360 WeakPolarHBondContact O-CA 3.49Å; D357-E360 WeakPolarHBondContact O-CB 3.25Å; D357-E360 PolarHBondContact O-N 3.49Å; I358-E360 VanDerWaalsContact C-N 3.29Å; E360-I362 HydrophobicContact CB-CD1 4.27Å; E360-I362 HydrophobicContact CB-CG1 4.18Å
361G57.7Low65.1Low17 Ų1777.6 Ų77.618%0.17541%0.406CS..THydrogen-bonded Turntrans84.913.7-178.600000113.8D357 L363D357-G361 PolarHBondContact O-N 2.8Å; G361-L363 PolarHBondContact O-N 3.48Å
362I48.5Very low63.1Low108 Ų10881.8 Ų81.855%0.55444%0.435SS*.  trans-82.872174.6-49.1173.1000108D357 E360D357-I362 HydrophobicContact CB-CB 4.37Å; D357-I362 PolarHBondContact O-N 3.34Å; E360-I362 HydrophobicContact CB-CD1 4.27Å; E360-I362 HydrophobicContact CB-CG1 4.18Å
363L51.5Low61.2Low37 Ų3781.4 Ų81.419%0.19445%0.448CS..PPolyproline II helixtrans-91140.1165.3-71.2175.5000108.9W101 P103 I358 G361 D365W101-L363 WeakPolarHBondContact O-CD1 3.19Å; P103-L363 HydrophobicContact CG-CD1 4.43Å; P103-L363 HydrophobicContact CG-CD2 3.99Å; I358-L363 HydrophobicContact CD1-CD2 4.04Å; I358-L363 HydrophobicContact CG1-CD2 3.99Å; G361-L363 PolarHBondContact O-N 3.48Å; L363-D365 PolarHBondContact O-N 3.18Å
364P47.4Very low59.3Low117 Ų11790.2 Ų90.276%0.7648%0.481SS*.PPolyproline II helixtrans-60.2137.117722-30.2000111.4S366P364-S366 PolarHBondContact O-N 3.35Å
365D43.3Very low57.9Low135 Ų13591.6 Ų91.672%0.72249%0.485SS*.PPolyproline II helixtrans-58.8124.5-175.8-90.1-32.9000112.6L363 R375L363-D365 PolarHBondContact O-N 3.18Å; D365-R375 IonicContact OD1-CZ 2.72Å; D365-R375 IonicContact OD1-NH1 3.69Å; D365-R375 PolarHBondContact OD1-NH1 3.31Å; D365-R375 IonicContact OD1-NH2 2.76Å
366S47.7Very low57.5Low94 Ų9493 Ų9366%0.65749%0.49SS*.  trans-140.813.3160.480.20000113.5P364P364-S366 PolarHBondContact O-N 3.35Å
367S47.6Very low57.9Low43 Ų4392.6 Ų92.630%0.30149%0.487SS..SBendtrans-149.8132.3-176.5177.50000110.4E105 N369 R375E105-S367 PolarHBondContact OE1-OG 3.06Å; S367-N369 PolarHBondContact O-N 3.48Å; S367-R375 PolarHBondContact O-NH2 2.9Å
368E48.8Very low58.6Low195 Ų19593.2 Ų93.291%0.91149%0.485SS*.  trans-66.89.4-173.1-65.1-173.1146.500115.5K370E368-K370 PolarHBondContact O-N 3.2Å
369N48Very low59.7Low112 Ų11293 Ų9360%0.59948%0.482SS*.  trans-76.397.5-178.7-91.2-39.5000112.3S367 D371 R375S367-N369 PolarHBondContact O-N 3.48Å; N369-D371 PolarHBondContact O-N 3.1Å; N369-D371 VanDerWaalsContact O-N 3.15Å; N369-R375 PolarHBondContact O-NH2 3.39Å
370K46Very low61.1Low207 Ų20795.8 Ų95.890%0.949%0.492SS*.  trans-65.6-2.9-178.6-75.7179.6177.1174.20116.9E368 S372E368-K370 PolarHBondContact O-N 3.2Å; K370-S372 PolarHBondContact O-N 3.5Å
371D52.7Low62.6Low84 Ų8494.7 Ų94.745%0.44949%0.494SS..  trans-90.191.7178.4-172.99.1000111.6N369 S373 R374N369-D371 PolarHBondContact O-N 3.1Å; N369-D371 VanDerWaalsContact O-N 3.15Å; D371-S373 PolarHBondContact O-N 3.05Å; D371-S373 VanDerWaalsContact OD1-CB 3.25Å; D371-S373 WeakPolarHBondContact OD1-CB 3.4Å; D371-S373 PolarHBondContact OD1-N 3.01Å; D371-R374 PolarHBondContact O-N 3.11Å
372S55.7Low64.4Low95 Ų9594.2 Ų94.266%0.66449%0.489SS*.Hα-helixtrans-59.6-24.6178.3-54.20000113.4K370 R374 R375K370-S372 PolarHBondContact O-N 3.5Å; S372-R374 PolarHBondContact O-N 3.49Å; S372-R375 PolarHBondContact O-N 2.83Å
373S55.9Low66.7Low95 Ų9590.7 Ų90.766%0.66447%0.471SS*.Hα-helixtrans-63.9-40.6-178.4177.90000112.3D371 R375 K376D371-S373 PolarHBondContact O-N 3.05Å; D371-S373 VanDerWaalsContact OD1-CB 3.25Å; D371-S373 WeakPolarHBondContact OD1-CB 3.4Å; D371-S373 PolarHBondContact OD1-N 3.01Å; S373-R375 VanDerWaalsContact C-N 3.28Å; S373-R375 PolarHBondContact O-N 3.32Å; S373-K376 PolarHBondContact O-N 2.85Å
374R57.3Low68.8Low190 Ų19092.1 Ų92.172%0.71748%0.479SS*.Hα-helixtrans-70.7-20.7-179.4-78.3179.9166.4-173.9-3.4113.8P100 D371 S372P100-R374 WeakPolarHBondContact CB-O 3.39Å; D371-R374 PolarHBondContact O-N 3.11Å; S372-R374 PolarHBondContact O-N 3.49Å
375R66.6Low71.1Confident47 Ų4790.8 Ų90.818%0.17747%0.472CS..Hα-helixtrans-81.2-15.8-179.3-63.4-175.1-173.8-172.6-0.8113.3W101 D365 S367 N369 S372 S373W101-R375 VanDerWaalsContact CA-O 3.23Å; W101-R375 WeakPolarHBondContact CA-O 3.3Å; W101-R375 WeakPolarHBondContact CB-O 3.34Å; D365-R375 IonicContact OD1-CZ 2.72Å; D365-R375 IonicContact OD1-NH1 3.69Å; D365-R375 PolarHBondContact OD1-NH1 3.31Å; D365-R375 IonicContact OD1-NH2 2.76Å; S367-R375 PolarHBondContact O-NH2 2.9Å; N369-R375 PolarHBondContact O-NH2 3.39Å; S372-R375 PolarHBondContact O-N 2.83Å; S373-R375 VanDerWaalsContact C-N 3.28Å; S373-R375 PolarHBondContact O-N 3.32Å
376K80Confident73.7Confident108 Ų10884.7 Ų84.747%0.4744%0.439SS..SBendtrans-89.3124.8-177.8-171.6170.6-177.6166.80111.3L359 S373 K378L359-K376 WeakPolarHBondContact O-CE 3.46Å; S373-K376 PolarHBondContact O-N 2.85Å; K376-K378 PolarHBondContact O-N 2.82Å
377F88.1Confident76Confident4 Ų485.3 Ų85.32%0.01843%0.427CS..PPolyproline II helixtrans-69.6129.7170.2-167.9-80.7000109.8W101 V145 L148 F379 V431 Q436 T438W101-F377 HydrophobicContact CB-CB 4.12Å; W101-F377 AromaticContact CD1-CD2 3.79Å; W101-F377 HydrophobicContact CD2-CB 4.47Å; W101-F377 AromaticContact CD2-CD2 3.52Å; W101-F377 HydrophobicContact CD2-CD2 3.52Å; W101-F377 HydrophobicContact CD2-CE2 4.26Å; W101-F377 HydrophobicContact CD2-CG 4.46Å; W101-F377 AromaticContact CE2-CD2 3.45Å; W101-F377 VanDerWaalsContact CE2-CD2 3.45Å; W101-F377 AromaticContact CE2-CE2 3.75Å; W101-F377 HydrophobicContact CE3-CD2 4.03Å; W101-F377 HydrophobicContact CG-CB 4.12Å; W101-F377 AromaticContact CG-CD2 3.77Å; W101-F377 HydrophobicContact CG-CD2 3.77Å; W101-F377 HydrophobicContact CG-CG 4.46Å; W101-F377 HydrophobicContact CH2-CD2 4.39Å; W101-F377 HydrophobicContact CH2-CE2 4.28Å; W101-F377 AromaticContact CZ2-CD2 3.92Å; W101-F377 HydrophobicContact CZ2-CD2 3.92Å; W101-F377 AromaticContact CZ2-CE2 3.78Å; W101-F377 HydrophobicContact CZ2-CE2 3.78Å; W101-F377 HydrophobicContact CZ3-CD2 4.43Å; W101-F377 AromaticContact NE1-CD2 3.6Å; W101-F377 AromaticContact NE1-CE2 3.98Å; V145-F377 HydrophobicContact CG1-CZ 4.14Å; L148-F377 HydrophobicContact CD1-CD1 4.24Å; L148-F377 HydrophobicContact CD1-CE1 3.69Å; L148-F377 HydrophobicContact CD1-CE2 4.18Å; L148-F377 HydrophobicContact CD1-CZ 3.67Å; L148-F377 HydrophobicContact CD2-CD1 4.45Å; L148-F377 HydrophobicContact CD2-CD2 4.01Å; L148-F377 HydrophobicContact CD2-CE2 4.16Å; L148-F377 HydrophobicContact CD2-CG 4.16Å; L148-F377 HydrophobicContact CD2-CZ 4.44Å; L148-F377 HydrophobicContact CG-CE2 4.48Å; L148-F377 HydrophobicContact CG-CZ 4.43Å; F377-F379 HydrophobicContact CB-CD2 4.44Å; F377-F379 HydrophobicContact CB-CE2 3.69Å; F377-F379 HydrophobicContact CB-CZ 4.09Å; F377-F379 AromaticContact CD1-CD1 3.89Å; F377-F379 HydrophobicContact CD1-CD1 3.89Å; F377-F379 AromaticContact CD1-CD2 3.86Å; F377-F379 HydrophobicContact CD1-CD2 3.86Å; F377-F379 AromaticContact CD1-CE1 3.4Å; F377-F379 HydrophobicContact CD1-CE1 3.4Å; F377-F379 VanDerWaalsContact CD1-CE1 3.4Å; F377-F379 AromaticContact CD1-CE2 3.34Å; F377-F379 HydrophobicContact CD1-CE2 3.34Å; F377-F379 HydrophobicContact CD1-CG 4.11Å; F377-F379 AromaticContact CD1-CZ 3.1Å; F377-F379 HydrophobicContact CD1-CZ 3.1Å; F377-F379 HydrophobicContact CE1-CD1 4.05Å; F377-F379 AromaticContact CE1-CE1 3.55Å; F377-F379 HydrophobicContact CE1-CE1 3.55Å; F377-F379 HydrophobicContact CE1-CE2 4.33Å; F377-F379 AromaticContact CE1-CZ 3.71Å; F377-F379 HydrophobicContact CE1-CZ 3.71Å; F377-F379 HydrophobicContact CG-CE1 4.48Å; F377-F379 AromaticContact CG-CE2 3.88Å; F377-F379 HydrophobicContact CG-CE2 3.88Å; F377-F379 AromaticContact CG-CZ 3.81Å; F377-F379 HydrophobicContact CG-CZ 3.81Å; F377-F379 WeakPolarHBondContact O-CD2 3.39Å; F377-F379 WeakPolarHBondContact O-CE2 3.41Å; F377-V431 HydrophobicContact CE1-CB 4.39Å; F377-V431 HydrophobicContact CE1-CG1 3.78Å; F377-V431 HydrophobicContact CE1-CG2 3.68Å; F377-V431 HydrophobicContact CZ-CG1 3.97Å; F377-V431 HydrophobicContact CZ-CG2 4.32Å; F377-Q436 VanDerWaalsContact CE2-NE2 3.28Å; F377-Q436 VanDerWaalsContact CG-NE2 3.35Å; F377-T438 HydrophobicContact CZ-CG2 4.32Å
378K90.5Very high78.3Confident118 Ų11883.3 Ų83.351%0.51341%0.413SS..PPolyproline II helixtrans-76.9128.5-179.4-61.5-178-174.9177.30112.3K376 D435 Q436K376-K378 PolarHBondContact O-N 2.82Å; K378-D435 HydrophobicContact CB-CB 4.15Å; K378-D435 HydrophobicContact CD-CB 4.15Å; K378-D435 VanDerWaalsContact CD-O 3.23Å; K378-D435 WeakPolarHBondContact CD-O 3.49Å; K378-D435 PolarHBondContact NZ-O 3.29Å; K378-Q436 HydrophobicContact CB-CG 4.22Å; K378-Q436 HydrophobicContact CD-CB 4.3Å; K378-Q436 VanDerWaalsContact N-NE2 3.16Å; K378-Q436 PolarHBondContact O-NE2 3.35Å
379F92.1Very high80.6Confident38 Ų3874 Ų7417%0.16737%0.37CS..  trans-133149.5175.9-62.8-78.2000110.5L148 L359 F377 K429 R430 V431 I443L148-F379 HydrophobicContact CD1-CE1 3.78Å; L148-F379 HydrophobicContact CD1-CZ 3.89Å; L148-F379 HydrophobicContact CD2-CZ 4.14Å; L359-F379 HydrophobicContact CB-CE2 4.31Å; L359-F379 HydrophobicContact CD2-CD2 4.04Å; L359-F379 HydrophobicContact CD2-CE1 4.23Å; L359-F379 HydrophobicContact CD2-CE2 3.23Å; L359-F379 HydrophobicContact CD2-CZ 3.34Å; L359-F379 HydrophobicContact CG-CE2 4.36Å; F377-F379 HydrophobicContact CB-CD2 4.44Å; F377-F379 HydrophobicContact CB-CE2 3.69Å; F377-F379 HydrophobicContact CB-CZ 4.09Å; F377-F379 AromaticContact CD1-CD1 3.89Å; F377-F379 HydrophobicContact CD1-CD1 3.89Å; F377-F379 AromaticContact CD1-CD2 3.86Å; F377-F379 HydrophobicContact CD1-CD2 3.86Å; F377-F379 AromaticContact CD1-CE1 3.4Å; F377-F379 HydrophobicContact CD1-CE1 3.4Å; F377-F379 VanDerWaalsContact CD1-CE1 3.4Å; F377-F379 AromaticContact CD1-CE2 3.34Å; F377-F379 HydrophobicContact CD1-CE2 3.34Å; F377-F379 HydrophobicContact CD1-CG 4.11Å; F377-F379 AromaticContact CD1-CZ 3.1Å; F377-F379 HydrophobicContact CD1-CZ 3.1Å; F377-F379 HydrophobicContact CE1-CD1 4.05Å; F377-F379 AromaticContact CE1-CE1 3.55Å; F377-F379 HydrophobicContact CE1-CE1 3.55Å; F377-F379 HydrophobicContact CE1-CE2 4.33Å; F377-F379 AromaticContact CE1-CZ 3.71Å; F377-F379 HydrophobicContact CE1-CZ 3.71Å; F377-F379 HydrophobicContact CG-CE1 4.48Å; F377-F379 AromaticContact CG-CE2 3.88Å; F377-F379 HydrophobicContact CG-CE2 3.88Å; F377-F379 AromaticContact CG-CZ 3.81Å; F377-F379 HydrophobicContact CG-CZ 3.81Å; F377-F379 WeakPolarHBondContact O-CD2 3.39Å; F377-F379 WeakPolarHBondContact O-CE2 3.41Å; F379-K429 HydrophobicContact CB-CB 3.97Å; F379-K429 HydrophobicContact CB-CD 3.91Å; F379-K429 HydrophobicContact CB-CG 4.25Å; F379-K429 HydrophobicContact CD1-CB 3.53Å; F379-K429 HydrophobicContact CD1-CG 4.28Å; F379-K429 HydrophobicContact CE1-CB 4.13Å; F379-K429 HydrophobicContact CG-CB 3.84Å; F379-K429 HydrophobicContact CG-CD 4.31Å; F379-K429 HydrophobicContact CG-CG 4.17Å; F379-R430 CarbonylContact C-O 3.56Å; F379-R430 WeakPolarHBondContact CA-O 3.32Å; F379-V431 HydrophobicContact CD1-CG2 3.69Å; F379-V431 HydrophobicContact CE1-CG2 3.67Å; F379-I443 HydrophobicContact CE1-CG2 4.4Å
380R94.7Very high82.6Confident68 Ų6869 Ų6926%0.25734%0.343SS..EExtended strand (participates in β ladder)trans-98.3145.6163.8-54.8-59.5-178.6133.6-0.2109.3E38 R430 L432 D435E38-R380 VanDerWaalsContact CD-NH2 3.29Å; E38-R380 IonicContact OE1-CZ 2.63Å; E38-R380 IonicContact OE1-NH1 3.87Å; E38-R380 PolarHBondContact OE1-NH1 2.97Å; E38-R380 VanDerWaalsContact OE1-NH1 3.11Å; E38-R380 IonicContact OE1-NH2 2.81Å; E38-R380 PolarHBondContact OE1-NH2 2.76Å; E38-R380 IonicContact OE2-CZ 2.78Å; E38-R380 IonicContact OE2-NH1 3.56Å; E38-R380 IonicContact OE2-NH2 2.62Å; E38-R380 PolarHBondContact OE2-NH2 2.94Å; R380-R430 HydrophobicContact CB-CB 4.3Å; R380-R430 PolarHBondContact N-O 2.97Å; R380-R430 PolarHBondContact O-N 3.07Å; R380-L432 HydrophobicContact CG-CD1 3.69Å; R380-L432 HydrophobicContact CG-CG 4.02Å; R380-D435 IonicContact CZ-OD1 2.74Å; R380-D435 IonicContact CZ-OD2 3.61Å; R380-D435 IonicContact NE-OD1 3.71Å; R380-D435 PolarHBondContact NE-OD1 2.9Å; R380-D435 IonicContact NE-OD2 3.11Å; R380-D435 PolarHBondContact NE-OD2 3.35Å; R380-D435 IonicContact NH2-OD1 3.51Å; R380-D435 PolarHBondContact NH2-OD1 3.13Å; R380-D435 IonicContact NH2-OD2 3.82Å
381P95.3Very high84.4Confident77 Ų7769 Ų6950%0.534%0.337SS..EExtended strand (participates in β ladder)trans-65.8156.5176.929.3-35.1000111.2E426 C428P381-E426 HydrophobicContact CB-CB 4.28Å; P381-C428 CarbonylContact C-O 3.57Å
382G95.8Very high86.1Confident7 Ų773.7 Ų73.77%0.07235%0.353CS..PPolyproline II helixtrans-65.3157.2170.400000112.2E337 L425 C428E337-G382 WeakPolarHBondContact OE1-CA 3.4Å; G382-L425 VanDerWaalsContact CA-O 3.3Å; G382-L425 WeakPolarHBondContact CA-O 3.35Å; G382-C428 PolarHBondContact N-O 2.98Å
383L96.5Very high87.7Confident33 Ų3370 Ų7017%0.17333%0.33CS..PPolyproline II helixtrans-82.9139178.2-59.4-177.2000111.7I33 P333 E337 W386 L425I33-L383 HydrophobicContact CG2-CD1 3.86Å; P333-L383 HydrophobicContact CB-CD1 4.23Å; P333-L383 HydrophobicContact CG-CD1 4.49Å; E337-L383 HydrophobicContact CG-CB 4.36Å; E337-L383 PolarHBondContact OE1-N 2.72Å; L383-W386 HydrophobicContact CB-CE3 4.35Å; L383-W386 WeakPolarHBondContact O-CZ3 3.48Å; L383-L425 WeakPolarHBondContact O-CD1 3.3Å
384N94.9Very high89.5Confident68 Ų6868.8 Ų68.836%0.36432%0.319SS..SBendtrans-94.1-8.3170.6-76.2-38.6000113.3V420 L425N384-V420 WeakPolarHBondContact O-CG2 3.44Å; N384-L425 WeakPolarHBondContact OD1-CB 3.47Å
385S95.6Very high91.4Very high89 Ų8962.4 Ų62.462%0.62230%0.295SS*.  trans-150143.3179.2-177.10000110
386W97.1Very high92.8Very high6 Ų660.7 Ų60.72%0.02329%0.288CS..  trans-157.9166.6178.556.787.7000109.4P333 E337 A338 A341 L383 M414 P416 L425P333-W386 HydrophobicContact CB-CB 3.7Å; P333-W386 HydrophobicContact CB-CD2 4.16Å; P333-W386 HydrophobicContact CB-CG 3.76Å; P333-W386 HydrophobicContact CG-CB 3.72Å; P333-W386 HydrophobicContact CG-CG 4.16Å; E337-W386 HydrophobicContact CB-CE3 3.99Å; E337-W386 HydrophobicContact CB-CH2 3.93Å; E337-W386 HydrophobicContact CB-CZ3 3.56Å; A338-W386 VanDerWaalsContact CA-CZ2 3.43Å; A338-W386 HydrophobicContact CB-CZ2 3.62Å; A341-W386 HydrophobicContact CB-CH2 4.13Å; L383-W386 HydrophobicContact CB-CE3 4.35Å; L383-W386 WeakPolarHBondContact O-CZ3 3.48Å; W386-M414 PolarHBondContact NE1-O 2.79Å; W386-P416 HydrophobicContact CD2-CG 3.93Å; W386-P416 HydrophobicContact CE3-CG 4.19Å; W386-P416 HydrophobicContact CG-CG 4.48Å; W386-P416 HydrophobicContact CH2-CB 4.24Å; W386-P416 HydrophobicContact CH2-CG 4.12Å; W386-P416 HydrophobicContact CZ2-CB 4.23Å; W386-P416 HydrophobicContact CZ2-CG 3.85Å; W386-P416 HydrophobicContact CZ3-CG 4.28Å; W386-L425 HydrophobicContact CH2-CD1 4.01Å; W386-L425 HydrophobicContact CZ3-CD1 3.87Å
387R96.4Very high93.5Very high108 Ų10859.3 Ų59.341%0.40829%0.289SS..  trans-122.6160.1179.6-67.1178.3-94.9-164.4-6111Q31 W395 T397Q31-R387 PolarHBondContact NE2-O 3.31Å; R387-W395 HydrophobicContact CB-CE3 3.65Å; R387-W395 HydrophobicContact CB-CZ3 3.88Å; R387-T397 HydrophobicContact CG-CG2 4.22Å
388I97Very high93.9Very high0 Ų061 Ų610%030%0.301CS..EExtended strand (participates in β ladder)trans-105131.2177.9-50-57.5000109I294 V334 W395 F396 I410 M414 F415I294-I388 HydrophobicContact CD1-CG2 4.15Å; V334-I388 HydrophobicContact CG2-CD1 3.41Å; V334-I388 VanDerWaalsContact CG2-CD1 3.41Å; I388-W395 CarbonylContact O-C 3.37Å; I388-W395 WeakPolarHBondContact O-CA 3.36Å; I388-F396 PolarHBondContact N-O 2.96Å; I388-F396 PolarHBondContact O-N 3.17Å; I388-I410 HydrophobicContact CG2-CD1 4.26Å; I388-I410 HydrophobicContact CG2-CG1 4.49Å; I388-I410 HydrophobicContact CG2-CG2 4.41Å; I388-M414 HydrophobicContact CD1-CB 4.01Å; I388-M414 HydrophobicContact CG1-CB 4.44Å; I388-F415 HydrophobicContact CB-CE1 4.2Å; I388-F415 HydrophobicContact CB-CZ 4.13Å; I388-F415 HydrophobicContact CG1-CD1 4Å; I388-F415 HydrophobicContact CG1-CE1 3.54Å; I388-F415 HydrophobicContact CG1-CE2 4.11Å; I388-F415 HydrophobicContact CG1-CG 4.47Å; I388-F415 HydrophobicContact CG1-CZ 3.61Å
389M95.8Very high94.1Very high1 Ų158.3 Ų58.31%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-109.4127.8171.9-170.9-164.4-77.900109.4L23 Y27 P290 I294 V394 W395L23-M389 HydrophobicContact CD1-CE 4.49Å; L23-M389 HydrophobicContact CD1-SD 3.77Å; L23-M389 HydrophobicContact CG-SD 4.48Å; Y27-M389 HydrophobicContact CD2-CB 3.73Å; Y27-M389 HydrophobicContact CD2-CE 3.99Å; Y27-M389 HydrophobicContact CD2-SD 4.08Å; Y27-M389 HydrophobicContact CE2-CB 3.76Å; P290-M389 HydrophobicContact CB-CB 4.32Å; P290-M389 WeakPolarHBondContact CB-O 3.25Å; P290-M389 HydrophobicContact CG-CB 4.24Å; P290-M389 HydrophobicContact CG-CG 4.25Å; P290-M389 HydrophobicContact CG-SD 3.69Å; I294-M389 WeakPolarHBondContact CD1-O 3.42Å; M389-V394 CarbonylContact C-O 3.59Å; M389-V394 WeakPolarHBondContact CA-O 3.19Å; M389-W395 HydrophobicContact CB-CD2 4.11Å; M389-W395 HydrophobicContact CB-CE3 3.82Å; M389-W395 HydrophobicContact CB-CH2 4.21Å; M389-W395 HydrophobicContact CB-CZ2 4.47Å; M389-W395 HydrophobicContact CB-CZ3 3.87Å; M389-W395 HydrophobicContact CE-CD2 4.18Å; M389-W395 HydrophobicContact CE-CH2 3.73Å; M389-W395 HydrophobicContact CE-CZ2 3.06Å; M389-W395 HydrophobicContact CE-CZ3 4.49Å; M389-W395 HydrophobicContact CG-CD2 4.35Å
390D90.9Very high94.3Very high6 Ų662.7 Ų62.73%0.03231%0.314CS..  trans-76.2178.2172.980.8-1.6000112.7K392 G393 V394 F396 Q406D390-K392 PolarHBondContact O-N 3.48Å; D390-K392 VanDerWaalsContact OD1-CA 3.29Å; D390-K392 WeakPolarHBondContact OD1-CA 3.37Å; D390-K392 WeakPolarHBondContact OD1-CB 3.21Å; D390-K392 PolarHBondContact OD1-N 3.34Å; D390-G393 PolarHBondContact O-N 3.49Å; D390-G393 VanDerWaalsContact O-N 3.14Å; D390-G393 PolarHBondContact OD1-N 3.14Å; D390-V394 PolarHBondContact N-O 2.79Å; D390-V394 PolarHBondContact OD1-N 2.91Å; D390-F396 HydrophobicContact CB-CE2 4.03Å; D390-Q406 PolarHBondContact OD2-NE2 2.82Å; D390-Q406 PolarHBondContact OD2-OE1 2.76Å
391R84.7Confident94.4Very high207 Ų20763.7 Ų63.778%0.78132%0.321SS*.THydrogen-bonded Turntrans-64.5-22.6178.2-172.1176.4178-161.7-1.3113.3G393R391-G393 VanDerWaalsContact C-N 3.32Å
392K87.1Confident94.4Very high183 Ų18360.1 Ų60.180%0.79630%0.298SS*.THydrogen-bonded Turntrans-87.6-3179.1-61.8-179.1179.6-179.50112.2D390 V394D390-K392 PolarHBondContact O-N 3.48Å; D390-K392 VanDerWaalsContact OD1-CA 3.29Å; D390-K392 WeakPolarHBondContact OD1-CA 3.37Å; D390-K392 WeakPolarHBondContact OD1-CB 3.21Å; D390-K392 PolarHBondContact OD1-N 3.34Å; K392-V394 HydrophobicContact CB-CG2 4.35Å
393G89.3Confident94.3Very high17 Ų1762.7 Ų62.718%0.17531%0.314CS..SBendtrans84.514-178.700000114.2D390 R391D390-G393 PolarHBondContact O-N 3.49Å; D390-G393 VanDerWaalsContact O-N 3.14Å; D390-G393 PolarHBondContact OD1-N 3.14Å; R391-G393 VanDerWaalsContact C-N 3.32Å
394V94Very high94.2Very high70 Ų7067 Ų6742%0.42434%0.341SS..  trans-83.4134.7175.7-177.60000109.1M389 D390 K392 F396M389-V394 CarbonylContact C-O 3.59Å; M389-V394 WeakPolarHBondContact CA-O 3.19Å; D390-V394 PolarHBondContact N-O 2.79Å; D390-V394 PolarHBondContact OD1-N 2.91Å; K392-V394 HydrophobicContact CB-CG2 4.35Å; V394-F396 HydrophobicContact CB-CZ 4.4Å; V394-F396 HydrophobicContact CG1-CE1 3.92Å; V394-F396 HydrophobicContact CG1-CZ 3.92Å
395W96.4Very high94Very high56 Ų5666.7 Ų66.721%0.21235%0.354CS..EExtended strand (participates in β ladder)trans-96.2143.3179.5-70101.6000111.8Y27 N30 Q31 R387 I388 M389Y27-W395 AromaticContact CD2-CH2 3.75Å; Y27-W395 HydrophobicContact CD2-CH2 3.75Å; Y27-W395 HydrophobicContact CD2-CZ2 4.5Å; Y27-W395 HydrophobicContact CD2-CZ3 4.22Å; Y27-W395 HydrophobicContact CE2-CH2 4.15Å; Y27-W395 HydrophobicContact CE2-CZ3 4.18Å; Y27-W395 HydrophobicContact CG-CH2 4.38Å; N30-W395 HydrophobicContact CB-CH2 3.74Å; N30-W395 HydrophobicContact CB-CZ2 3.34Å; Q31-W395 HydrophobicContact CG-CH2 4.42Å; R387-W395 HydrophobicContact CB-CE3 3.65Å; R387-W395 HydrophobicContact CB-CZ3 3.88Å; I388-W395 CarbonylContact O-C 3.37Å; I388-W395 WeakPolarHBondContact O-CA 3.36Å; M389-W395 HydrophobicContact CB-CD2 4.11Å; M389-W395 HydrophobicContact CB-CE3 3.82Å; M389-W395 HydrophobicContact CB-CH2 4.21Å; M389-W395 HydrophobicContact CB-CZ2 4.47Å; M389-W395 HydrophobicContact CB-CZ3 3.87Å; M389-W395 HydrophobicContact CE-CD2 4.18Å; M389-W395 HydrophobicContact CE-CH2 3.73Å; M389-W395 HydrophobicContact CE-CZ2 3.06Å; M389-W395 HydrophobicContact CE-CZ3 4.49Å; M389-W395 HydrophobicContact CG-CD2 4.35Å
396F96.6Very high93.9Very high10 Ų1064.8 Ų64.84%0.04434%0.336CS..EExtended strand (participates in β ladder)trans-126.4130.5170.9-53.1-64.1000109.4I388 D390 V394 E401 V402 P403 I410 F415I388-F396 PolarHBondContact N-O 2.96Å; I388-F396 PolarHBondContact O-N 3.17Å; D390-F396 HydrophobicContact CB-CE2 4.03Å; V394-F396 HydrophobicContact CB-CZ 4.4Å; V394-F396 HydrophobicContact CG1-CE1 3.92Å; V394-F396 HydrophobicContact CG1-CZ 3.92Å; F396-E401 WeakPolarHBondContact CA-OE2 3.44Å; F396-E401 HydrophobicContact CB-CB 4.48Å; F396-E401 HydrophobicContact CD1-CB 3.9Å; F396-V402 HydrophobicContact CB-CG2 4.24Å; F396-V402 HydrophobicContact CD2-CG2 4.22Å; F396-V402 HydrophobicContact CG-CG2 4.08Å; F396-P403 HydrophobicContact CE1-CG 4.38Å; F396-P403 HydrophobicContact CZ-CG 4.3Å; F396-I410 HydrophobicContact CD2-CD1 3.95Å; F396-I410 HydrophobicContact CE2-CD1 3.85Å; F396-F415 HydrophobicContact CB-CE1 4.08Å; F396-F415 HydrophobicContact CB-CZ 4.06Å
397T95.7Very high93.7Very high79 Ų7968.8 Ų68.849%0.48535%0.351SS..SBendtrans-94.3-24.7175.876.60000112.4R387 E401R387-T397 HydrophobicContact CG-CG2 4.22Å; T397-E401 PolarHBondContact N-OE2 3.02Å; T397-E401 PolarHBondContact OG1-OE1 3.14Å
398S95.6Very high93.4Very high40 Ų4066.9 Ų66.928%0.2835%0.354SS..SBendtrans-139.3158.9179.766.50000111D400 E401S398-D400 PolarHBondContact O-N 3.32Å; S398-E401 PolarHBondContact O-N 3.06Å; S398-E401 PolarHBondContact OG-OE1 3.33Å
399Y95.8Very high93.2Very high61 Ų6173.4 Ų73.424%0.23938%0.383CS..G310 helixtrans-64-27.2177.1179.9-109.4000112.7E401 V402 R407 I410 P412 F415Y399-E401 VanDerWaalsContact C-N 3.28Å; Y399-E401 PolarHBondContact O-N 3.44Å; Y399-V402 HydrophobicContact CD2-CB 4.48Å; Y399-V402 HydrophobicContact CD2-CG2 4.24Å; Y399-V402 VanDerWaalsContact O-CB 3.28Å; Y399-V402 WeakPolarHBondContact O-CB 3.34Å; Y399-V402 WeakPolarHBondContact O-CG2 3.44Å; Y399-V402 PolarHBondContact O-N 3.38Å; Y399-V402 VanDerWaalsContact O-N 3.09Å; Y399-R407 HydrophobicContact CE2-CB 4.5Å; Y399-R407 HydrophobicContact CE2-CG 4.09Å; Y399-I410 WeakPolarHBondContact CE2-O 3.4Å; Y399-P412 HydrophobicContact CD1-CB 4.48Å; Y399-P412 HydrophobicContact CD1-CG 3.92Å; Y399-P412 HydrophobicContact CD2-CB 4.49Å; Y399-P412 HydrophobicContact CD2-CG 4.01Å; Y399-P412 HydrophobicContact CE1-CG 3.79Å; Y399-P412 HydrophobicContact CE2-CG 3.9Å; Y399-P412 HydrophobicContact CG-CB 4.31Å; Y399-P412 HydrophobicContact CG-CG 4.02Å; Y399-F415 HydrophobicContact CD2-CE2 4.07Å
400D95.4Very high93.1Very high131 Ų13173.5 Ų73.570%0.70138%0.383SS*.G310 helixtrans-66.7-30.4-179.4-66.5-36000112.7S398 V402 R407S398-D400 PolarHBondContact O-N 3.32Å; D400-V402 PolarHBondContact O-N 2.8Å; D400-R407 PolarHBondContact O-NH2 3.01Å
401E96.3Very high93.3Very high89 Ų8977.6 Ų77.642%0.41640%0.399SS..G310 helixtrans-70.6-17.1174.8-66.7167-158.900113.1F396 T397 S398 Y399 P403F396-E401 WeakPolarHBondContact CA-OE2 3.44Å; F396-E401 HydrophobicContact CB-CB 4.48Å; F396-E401 HydrophobicContact CD1-CB 3.9Å; T397-E401 PolarHBondContact N-OE2 3.02Å; T397-E401 PolarHBondContact OG1-OE1 3.14Å; S398-E401 PolarHBondContact O-N 3.06Å; S398-E401 PolarHBondContact OG-OE1 3.33Å; Y399-E401 VanDerWaalsContact C-N 3.28Å; Y399-E401 PolarHBondContact O-N 3.44Å; E401-P403 VanDerWaalsContact O-CD 3.28Å; E401-P403 WeakPolarHBondContact O-CD 3.37Å
402V95.5Very high93.9Very high2 Ų271.3 Ų71.31%0.01239%0.385CS..SBendtrans-72119.1-175.6-178.70000109.8F396 Y399 D400 Q406 R407 I410 F415F396-V402 HydrophobicContact CB-CG2 4.24Å; F396-V402 HydrophobicContact CD2-CG2 4.22Å; F396-V402 HydrophobicContact CG-CG2 4.08Å; Y399-V402 HydrophobicContact CD2-CB 4.48Å; Y399-V402 HydrophobicContact CD2-CG2 4.24Å; Y399-V402 VanDerWaalsContact O-CB 3.28Å; Y399-V402 WeakPolarHBondContact O-CB 3.34Å; Y399-V402 WeakPolarHBondContact O-CG2 3.44Å; Y399-V402 PolarHBondContact O-N 3.38Å; Y399-V402 VanDerWaalsContact O-N 3.09Å; D400-V402 PolarHBondContact O-N 2.8Å; V402-Q406 HydrophobicContact CG1-CB 3.86Å; V402-R407 HydrophobicContact CB-CG 4.33Å; V402-R407 HydrophobicContact CG1-CG 3.86Å; V402-R407 PolarHBondContact O-NE 2.85Å; V402-I410 HydrophobicContact CG1-CB 4.03Å; V402-I410 HydrophobicContact CG1-CD1 4.21Å; V402-I410 HydrophobicContact CG1-CG2 4.21Å; V402-I410 HydrophobicContact CG2-CB 4.49Å; V402-I410 HydrophobicContact CG2-CG2 3.78Å; V402-F415 HydrophobicContact CG2-CE2 4.08Å; V402-F415 HydrophobicContact CG2-CZ 3.74Å
403P94.6Very high94.4Very high61 Ų6164.4 Ų64.440%0.39636%0.36SS..  trans-58.3144.8178.3-2433.9000111.7F396 E401 G405 Q406 R407F396-P403 HydrophobicContact CE1-CG 4.38Å; F396-P403 HydrophobicContact CZ-CG 4.3Å; E401-P403 VanDerWaalsContact O-CD 3.28Å; E401-P403 WeakPolarHBondContact O-CD 3.37Å; P403-G405 PolarHBondContact O-N 3.22Å; P403-Q406 HydrophobicContact CB-CG 4.5Å; P403-Q406 PolarHBondContact O-N 3.04Å; P403-R407 PolarHBondContact O-N 2.9Å
404T92.9Very high94.8Very high123 Ų12363.6 Ų63.676%0.75535%0.351SS*.G310 helixtrans-50.7-39-17749.60000113.5Q406 R407T404-Q406 VanDerWaalsContact C-N 3.27Å; T404-Q406 PolarHBondContact O-N 2.83Å; T404-R407 PolarHBondContact O-N 3.44Å
405G92.1Very high95Very high62 Ų6261 Ų6164%0.63933%0.334SS*.G310 helixtrans-69.5-13.7177.300000115.9P403P403-G405 PolarHBondContact O-N 3.22Å
406Q92.3Very high95Very high49 Ų4960.1 Ų60.123%0.22934%0.336CS..G310 helixtrans-101.8-13.1177.7-59.4-158.13900113.3D390 V402 P403 T404 S408 F409 I410D390-Q406 PolarHBondContact OD2-NE2 2.82Å; D390-Q406 PolarHBondContact OD2-OE1 2.76Å; V402-Q406 HydrophobicContact CG1-CB 3.86Å; P403-Q406 HydrophobicContact CB-CG 4.5Å; P403-Q406 PolarHBondContact O-N 3.04Å; T404-Q406 VanDerWaalsContact C-N 3.27Å; T404-Q406 PolarHBondContact O-N 2.83Å; Q406-S408 PolarHBondContact O-N 3.34Å; Q406-F409 PolarHBondContact O-N 3.38Å; Q406-I410 HydrophobicContact CB-CD1 4.43Å; Q406-I410 PolarHBondContact O-N 3Å
407R93Very high94.9Very high89 Ų8960.9 Ų60.934%0.33634%0.342SS..THydrogen-bonded Turntrans-64.5-11-177.9-67.5-176.6179.6-158.9-6.9114.3Y399 D400 V402 P403 T404 F409Y399-R407 HydrophobicContact CE2-CB 4.5Å; Y399-R407 HydrophobicContact CE2-CG 4.09Å; D400-R407 PolarHBondContact O-NH2 3.01Å; V402-R407 HydrophobicContact CB-CG 4.33Å; V402-R407 HydrophobicContact CG1-CG 3.86Å; V402-R407 PolarHBondContact O-NE 2.85Å; P403-R407 PolarHBondContact O-N 2.9Å; T404-R407 PolarHBondContact O-N 3.44Å; R407-F409 VanDerWaalsContact C-N 3.32Å
408S90.9Very high94.7Very high68 Ų6863.1 Ų63.148%0.47636%0.36SS..THydrogen-bonded Turntrans-78.2-14.1171.4600000114Q406 Y411Q406-S408 PolarHBondContact O-N 3.34Å; S408-Y411 PolarHBondContact O-OH 3.48Å
409F91.7Very high94.6Very high138 Ų13863.3 Ų63.361%0.60536%0.358SS*.THydrogen-bonded Turntrans-120.8-32.9-178.6-57.1-76.5000112.5I294 Q406 R407 Y411 M414I294-F409 WeakPolarHBondContact CG2-O 3.42Å; Q406-F409 PolarHBondContact O-N 3.38Å; R407-F409 VanDerWaalsContact C-N 3.32Å; F409-Y411 WeakPolarHBondContact O-CD2 3.45Å; F409-Y411 VanDerWaalsContact O-CE2 3.28Å; F409-Y411 WeakPolarHBondContact O-CE2 3.39Å; F409-M414 WeakPolarHBondContact O-CE 3.49Å
410I95.2Very high94.6Very high3 Ų361.3 Ų61.32%0.01535%0.353CS..SBendtrans-99.1117.4175.8-61.3174.8000107.8I388 F396 Y399 V402 Q406 M414 F415I388-I410 HydrophobicContact CG2-CD1 4.26Å; I388-I410 HydrophobicContact CG2-CG1 4.49Å; I388-I410 HydrophobicContact CG2-CG2 4.41Å; F396-I410 HydrophobicContact CD2-CD1 3.95Å; F396-I410 HydrophobicContact CE2-CD1 3.85Å; Y399-I410 WeakPolarHBondContact CE2-O 3.4Å; V402-I410 HydrophobicContact CG1-CB 4.03Å; V402-I410 HydrophobicContact CG1-CD1 4.21Å; V402-I410 HydrophobicContact CG1-CG2 4.21Å; V402-I410 HydrophobicContact CG2-CB 4.49Å; V402-I410 HydrophobicContact CG2-CG2 3.78Å; Q406-I410 HydrophobicContact CB-CD1 4.43Å; Q406-I410 PolarHBondContact O-N 3Å; I410-M414 HydrophobicContact CB-SD 4.49Å; I410-M414 HydrophobicContact CG2-SD 4.26Å; I410-F415 HydrophobicContact CG2-CE2 3.65Å; I410-F415 HydrophobicContact CG2-CZ 4Å
411Y95Very high94.5Very high92 Ų9259.4 Ų59.436%0.36135%0.35SS..  trans-104.8154.4-175.7-57.5-84.7000111.3P298 S408 F409 S413 M414P298-Y411 HydrophobicContact CG-CD2 3.92Å; P298-Y411 HydrophobicContact CG-CE2 3.52Å; S408-Y411 PolarHBondContact O-OH 3.48Å; F409-Y411 WeakPolarHBondContact O-CD2 3.45Å; F409-Y411 VanDerWaalsContact O-CE2 3.28Å; F409-Y411 WeakPolarHBondContact O-CE2 3.39Å; Y411-S413 PolarHBondContact O-N 3.33Å; Y411-M414 HydrophobicContact CD2-CE 3.65Å; Y411-M414 HydrophobicContact CD2-SD 4.26Å; Y411-M414 HydrophobicContact CE2-CE 4.28Å; Y411-M414 PolarHBondContact N-SD 3.17Å; Y411-M414 VanDerWaalsContact N-SD 3.44Å; Y411-M414 WeakPolarHBondContact O-CB 3.33Å; Y411-M414 PolarHBondContact O-N 3.44Å
412P96.5Very high94.4Very high74 Ų7460.8 Ų60.848%0.48136%0.36SS..G310 helixtrans-54.1-35.2174.6-2633.8000113.5Y399 M414 F415Y399-P412 HydrophobicContact CD1-CB 4.48Å; Y399-P412 HydrophobicContact CD1-CG 3.92Å; Y399-P412 HydrophobicContact CD2-CB 4.49Å; Y399-P412 HydrophobicContact CD2-CG 4.01Å; Y399-P412 HydrophobicContact CE1-CG 3.79Å; Y399-P412 HydrophobicContact CE2-CG 3.9Å; Y399-P412 HydrophobicContact CG-CB 4.31Å; Y399-P412 HydrophobicContact CG-CG 4.02Å; P412-M414 PolarHBondContact O-N 3.15Å; P412-M414 VanDerWaalsContact O-N 3.11Å; P412-F415 PolarHBondContact O-N 3.04Å; P412-F415 VanDerWaalsContact O-N 3.11Å
413S96.8Very high94.4Very high39 Ų3961.7 Ų61.727%0.27336%0.364SS..G310 helixtrans-63.6-14.3179.260.20000114.8H297 S342 Y411 F415H297-S413 PolarHBondContact CE1-O 3.33Å; H297-S413 VanDerWaalsContact CE1-O 3.25Å; H297-S413 PolarHBondContact NE2-O 2.64Å; H297-S413 PolarHBondContact NE2-OG 3.04Å; S342-S413 WeakPolarHBondContact OG-CB 3.17Å; Y411-S413 PolarHBondContact O-N 3.33Å; S413-F415 VanDerWaalsContact C-N 3.3Å
414M97.9Very high94.5Very high0 Ų062.6 Ų62.60%036%0.363CS..G310 helixtrans-78.5-18176.9-66.2172.6166.600112.2I294 H297 V334 W386 I388 F409 I410 Y411 P412I294-M414 HydrophobicContact CB-CE 4.42Å; I294-M414 HydrophobicContact CG2-CE 3.8Å; I294-M414 HydrophobicContact CG2-SD 4.32Å; I294-M414 VanDerWaalsContact O-CE 3.23Å; I294-M414 WeakPolarHBondContact O-CE 3.4Å; H297-M414 HydrophobicContact CB-CE 3.8Å; V334-M414 HydrophobicContact CG1-CB 4.49Å; V334-M414 HydrophobicContact CG1-CG 4.17Å; V334-M414 HydrophobicContact CG1-SD 4.5Å; W386-M414 PolarHBondContact NE1-O 2.79Å; I388-M414 HydrophobicContact CD1-CB 4.01Å; I388-M414 HydrophobicContact CG1-CB 4.44Å; F409-M414 WeakPolarHBondContact O-CE 3.49Å; I410-M414 HydrophobicContact CB-SD 4.49Å; I410-M414 HydrophobicContact CG2-SD 4.26Å; Y411-M414 HydrophobicContact CD2-CE 3.65Å; Y411-M414 HydrophobicContact CD2-SD 4.26Å; Y411-M414 HydrophobicContact CE2-CE 4.28Å; Y411-M414 PolarHBondContact N-SD 3.17Å; Y411-M414 VanDerWaalsContact N-SD 3.44Å; Y411-M414 WeakPolarHBondContact O-CB 3.33Å; Y411-M414 PolarHBondContact O-N 3.44Å; P412-M414 PolarHBondContact O-N 3.15Å; P412-M414 VanDerWaalsContact O-N 3.11Å
415F97.9Very high94.7Very high15 Ų1556.7 Ų56.77%0.06633%0.327CS..SBendtrans-94.9155.2-179.9-64.3-91.5000111.1I388 F396 Y399 V402 I410 P412 S413I388-F415 HydrophobicContact CB-CE1 4.2Å; I388-F415 HydrophobicContact CB-CZ 4.13Å; I388-F415 HydrophobicContact CG1-CD1 4Å; I388-F415 HydrophobicContact CG1-CE1 3.54Å; I388-F415 HydrophobicContact CG1-CE2 4.11Å; I388-F415 HydrophobicContact CG1-CG 4.47Å; I388-F415 HydrophobicContact CG1-CZ 3.61Å; F396-F415 HydrophobicContact CB-CE1 4.08Å; F396-F415 HydrophobicContact CB-CZ 4.06Å; Y399-F415 HydrophobicContact CD2-CE2 4.07Å; V402-F415 HydrophobicContact CG2-CE2 4.08Å; V402-F415 HydrophobicContact CG2-CZ 3.74Å; I410-F415 HydrophobicContact CG2-CE2 3.65Å; I410-F415 HydrophobicContact CG2-CZ 4Å; P412-F415 PolarHBondContact O-N 3.04Å; P412-F415 VanDerWaalsContact O-N 3.11Å; S413-F415 VanDerWaalsContact C-N 3.3Å
416P96.6Very high94.9Very high38 Ų3856.8 Ų56.825%0.24731%0.311CS..PPolyproline II helixtrans-55.5128.4172.9-24.233.7000111.3W386 V420W386-P416 HydrophobicContact CD2-CG 3.93Å; W386-P416 HydrophobicContact CE3-CG 4.19Å; W386-P416 HydrophobicContact CG-CG 4.48Å; W386-P416 HydrophobicContact CH2-CB 4.24Å; W386-P416 HydrophobicContact CH2-CG 4.12Å; W386-P416 HydrophobicContact CZ2-CB 4.23Å; W386-P416 HydrophobicContact CZ2-CG 3.85Å; W386-P416 HydrophobicContact CZ3-CG 4.28Å; P416-V420 HydrophobicContact CB-CB 4.45Å; P416-V420 HydrophobicContact CB-CG2 4.42Å
417P94.6Very high95Very high25 Ų2558 Ų5816%0.16231%0.313CS..PPolyproline II helixtrans-71.6162.4176.130.6-35000111.2A341 H345 N419 V420 L423A341-P417 HydrophobicContact CB-CG 4.16Å; H345-P417 HydrophobicContact CB-CB 4.4Å; H345-P417 HydrophobicContact CB-CG 4.45Å; P417-N419 PolarHBondContact O-N 2.92Å; P417-N419 VanDerWaalsContact O-N 3.17Å; P417-V420 HydrophobicContact CG-CB 4.3Å; P417-V420 WeakPolarHBondContact O-CB 3.41Å; P417-V420 PolarHBondContact O-N 3.25Å; P417-V420 VanDerWaalsContact O-N 3.07Å; P417-L423 HydrophobicContact CG-CD1 3.79Å
418S92.6Very high95.2Very high126 Ų12653.7 Ų53.788%0.88130%0.297SS*.THydrogen-bonded Turntrans-61.3-27.4-17858.50000114.1
419N93.8Very high95.4Very high44 Ų4451.8 Ų51.824%0.23528%0.28CS..THydrogen-bonded Turntrans-98.923178.572.8-41.9000112.9H345 P417 S421 D422H345-N419 PolarHBondContact ND1-OD1 3.44Å; P417-N419 PolarHBondContact O-N 2.92Å; P417-N419 VanDerWaalsContact O-N 3.17Å; N419-S421 PolarHBondContact O-N 3.14Å; N419-S421 VanDerWaalsContact O-N 3.16Å; N419-D422 WeakPolarHBondContact O-CB 3.35Å; N419-D422 PolarHBondContact O-N 2.87Å
420V94.6Very high95.7Very high20 Ų2045.3 Ų45.312%0.12125%0.252CS..G310 helixtrans-53.2-37.3-175.665.60000113.1N384 P416 P417 D422 L423 L425N384-V420 WeakPolarHBondContact O-CG2 3.44Å; P416-V420 HydrophobicContact CB-CB 4.45Å; P416-V420 HydrophobicContact CB-CG2 4.42Å; P417-V420 HydrophobicContact CG-CB 4.3Å; P417-V420 WeakPolarHBondContact O-CB 3.41Å; P417-V420 PolarHBondContact O-N 3.25Å; P417-V420 VanDerWaalsContact O-N 3.07Å; V420-D422 PolarHBondContact O-N 3.06Å; V420-L423 WeakPolarHBondContact O-CB 3.11Å; V420-L423 PolarHBondContact O-N 3.44Å; V420-L423 VanDerWaalsContact O-N 3.09Å; V420-L425 HydrophobicContact CG2-CD1 3.6Å; V420-L425 HydrophobicContact CG2-CG 4.44Å
421S92.7Very high95.7Very high91 Ų9145.1 Ų45.164%0.63625%0.251SS*.G310 helixtrans-62.4-26.8178.5-53.80000113.7N419 L423N419-S421 PolarHBondContact O-N 3.14Å; N419-S421 VanDerWaalsContact O-N 3.16Å; S421-L423 VanDerWaalsContact C-N 3.33Å
422D95Very high95.9Very high118 Ų11840.8 Ų40.863%0.63123%0.234SC*.G310 helixtrans-86-8.7-179.9-53.1-36.8000112.2N419 V420N419-D422 WeakPolarHBondContact O-CB 3.35Å; N419-D422 PolarHBondContact O-N 2.87Å; V420-D422 PolarHBondContact O-N 3.06Å
423L96.3Very high95.9Very high20 Ų2037.2 Ų37.211%0.10521%0.211CC..G310 helixtrans-86.7-11.2-175.6-58.7-176.1000113.4A341 L344 P417 V420 S421 L425A341-L423 HydrophobicContact CB-CD1 3.82Å; L344-L423 HydrophobicContact CB-CD1 4.46Å; L344-L423 HydrophobicContact CB-CD2 3.97Å; L344-L423 HydrophobicContact CD1-CB 4.47Å; P417-L423 HydrophobicContact CG-CD1 3.79Å; V420-L423 WeakPolarHBondContact O-CB 3.11Å; V420-L423 PolarHBondContact O-N 3.44Å; V420-L423 VanDerWaalsContact O-N 3.09Å; S421-L423 VanDerWaalsContact C-N 3.33Å; L423-L425 HydrophobicContact CB-CD2 3.96Å; L423-L425 HydrophobicContact CB-CG 4.18Å; L423-L425 PolarHBondContact O-N 3.29Å
424H96.4Very high95.8Very high80 Ų8036.6 Ų36.637%0.3720%0.203SC..  trans55.647.4179.9-62.9-68000114L353 E426 R427L353-H424 WeakPolarHBondContact CD1-O 3.15Å; H424-E426 WeakPolarHBondContact CA-OE1 3.43Å; H424-E426 WeakPolarHBondContact CA-OE2 3.32Å; H424-E426 VanDerWaalsContact CB-OE1 3.3Å; H424-E426 WeakPolarHBondContact CB-OE1 3.41Å; H424-E426 IonicContact CG-OE1 3.97Å; H424-E426 IonicContact ND1-OE1 4Å; H424-E426 PolarHBondContact ND1-OE1 3.14Å; H424-E426 PolarHBondContact O-N 3.37Å; H424-R427 HydrophobicContact CB-CG 4.2Å; H424-R427 VanDerWaalsContact O-CB 3.3Å; H424-R427 WeakPolarHBondContact O-CB 3.39Å; H424-R427 WeakPolarHBondContact O-CG 3.34Å; H424-R427 PolarHBondContact O-N 3.43Å; H424-R427 VanDerWaalsContact O-N 3.08Å
425L97.3Very high95.7Very high0 Ų037.5 Ų37.50%021%0.208CC..G310 helixtrans-66.8-15.4-176.4-55.1-179.3000113.3E337 V340 A341 L344 L353 G382 L383 N384 W386 V420 L423 R427 C428E337-L425 HydrophobicContact CB-CD1 4.33Å; V340-L425 HydrophobicContact CG1-CD2 4.19Å; A341-L425 HydrophobicContact CB-CD1 4.04Å; A341-L425 HydrophobicContact CB-CD2 4.24Å; L344-L425 HydrophobicContact CD1-CD2 4.5Å; L353-L425 HydrophobicContact CD1-CD2 3.99Å; G382-L425 VanDerWaalsContact CA-O 3.3Å; G382-L425 WeakPolarHBondContact CA-O 3.35Å; L383-L425 WeakPolarHBondContact O-CD1 3.3Å; N384-L425 WeakPolarHBondContact OD1-CB 3.47Å; W386-L425 HydrophobicContact CH2-CD1 4.01Å; W386-L425 HydrophobicContact CZ3-CD1 3.87Å; V420-L425 HydrophobicContact CG2-CD1 3.6Å; V420-L425 HydrophobicContact CG2-CG 4.44Å; L423-L425 HydrophobicContact CB-CD2 3.96Å; L423-L425 HydrophobicContact CB-CG 4.18Å; L423-L425 PolarHBondContact O-N 3.29Å; L425-R427 PolarHBondContact O-N 2.92Å; L425-R427 VanDerWaalsContact O-N 3.11Å; L425-C428 VanDerWaalsContact O-CB 3.23Å; L425-C428 WeakPolarHBondContact O-CB 3.49Å; L425-C428 PolarHBondContact O-N 3.4Å
426E95.1Very high95.4Very high64 Ų6439 Ų3930%0.29922%0.215SC..G310 helixtrans-57.8-21.2169.669.2-76.5174.300113.3P381 H424 K429P381-E426 HydrophobicContact CB-CB 4.28Å; H424-E426 WeakPolarHBondContact CA-OE1 3.43Å; H424-E426 WeakPolarHBondContact CA-OE2 3.32Å; H424-E426 VanDerWaalsContact CB-OE1 3.3Å; H424-E426 WeakPolarHBondContact CB-OE1 3.41Å; H424-E426 IonicContact CG-OE1 3.97Å; H424-E426 IonicContact ND1-OE1 4Å; H424-E426 PolarHBondContact ND1-OE1 3.14Å; H424-E426 PolarHBondContact O-N 3.37Å; E426-K429 PolarHBondContact O-NZ 2.76Å; E426-K429 VanDerWaalsContact O-NZ 3.1Å
427R95.9Very high95.2Very high73 Ų7339 Ų3928%0.27521%0.213SC..G310 helixtrans-76.7-21.3174.2-60.3-172.4179.5170.84.9113.1L353 E355 H424 L425L353-R427 HydrophobicContact CB-CB 3.85Å; L353-R427 HydrophobicContact CD1-CB 4.5Å; L353-R427 WeakPolarHBondContact O-CD 2.99Å; L353-R427 PolarHBondContact O-NH1 3.44Å; E355-R427 HydrophobicContact CG-CB 3.8Å; E355-R427 HydrophobicContact CG-CG 3.8Å; H424-R427 HydrophobicContact CB-CG 4.2Å; H424-R427 VanDerWaalsContact O-CB 3.3Å; H424-R427 WeakPolarHBondContact O-CB 3.39Å; H424-R427 WeakPolarHBondContact O-CG 3.34Å; H424-R427 PolarHBondContact O-N 3.43Å; H424-R427 VanDerWaalsContact O-N 3.08Å; L425-R427 PolarHBondContact O-N 2.92Å; L425-R427 VanDerWaalsContact O-N 3.11Å
428C96.8Very high95.2Very high0 Ų038 Ų380%021%0.207CC..SBendtrans-63.2144.5164-59.90000109P381 G382 L425 F442P381-C428 CarbonylContact C-O 3.57Å; G382-C428 PolarHBondContact N-O 2.98Å; L425-C428 VanDerWaalsContact O-CB 3.23Å; L425-C428 WeakPolarHBondContact O-CB 3.49Å; L425-C428 PolarHBondContact O-N 3.4Å; C428-F442 HydrophobicContact CB-CE2 3.6Å; C428-F442 HydrophobicContact CB-CZ 3.54Å
429K95.7Very high95.3Very high27 Ų2732.3 Ų32.312%0.11717%0.168CC..EExtended strand (participates in β ladder)trans-120.5128.8-176.5-57.5-58.8171.5-162.20110.8E355 L359 F379 E426 F442 I443E355-K429 WeakPolarHBondContact OE1-CE 3.35Å; E355-K429 IonicContact OE1-NZ 2.65Å; E355-K429 PolarHBondContact OE1-NZ 3.18Å; L359-K429 HydrophobicContact CD1-CG 4.01Å; F379-K429 HydrophobicContact CB-CB 3.97Å; F379-K429 HydrophobicContact CB-CD 3.91Å; F379-K429 HydrophobicContact CB-CG 4.25Å; F379-K429 HydrophobicContact CD1-CB 3.53Å; F379-K429 HydrophobicContact CD1-CG 4.28Å; F379-K429 HydrophobicContact CE1-CB 4.13Å; F379-K429 HydrophobicContact CG-CB 3.84Å; F379-K429 HydrophobicContact CG-CD 4.31Å; F379-K429 HydrophobicContact CG-CG 4.17Å; E426-K429 PolarHBondContact O-NZ 2.76Å; E426-K429 VanDerWaalsContact O-NZ 3.1Å; K429-F442 CarbonylContact O-C 3.54Å; K429-F442 WeakPolarHBondContact O-CA 3.36Å; K429-I443 HydrophobicContact CB-CG2 3.77Å; K429-I443 PolarHBondContact N-O 2.87Å; K429-I443 PolarHBondContact O-N 3.23Å
430R96.5Very high95.5Very high2 Ų230.4 Ų30.41%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-107.4135175-177.8177.8-53.3-65.37.7109.3F331 N336 E337 F379 R380 L432F331-R430 PolarHBondContact O-NH1 3.05Å; F331-R430 VanDerWaalsContact O-NH1 3.09Å; N336-R430 PolarHBondContact ND2-NH1 3.29Å; N336-R430 VanDerWaalsContact ND2-NH1 3.14Å; E337-R430 IonicContact OE1-CZ 2.58Å; E337-R430 IonicContact OE1-NH2 3.03Å; E337-R430 PolarHBondContact OE1-NH2 3.22Å; E337-R430 IonicContact OE2-CZ 2.76Å; E337-R430 IonicContact OE2-NH2 3.56Å; E337-R430 PolarHBondContact OE2-NH2 2.99Å; F379-R430 CarbonylContact C-O 3.56Å; F379-R430 WeakPolarHBondContact CA-O 3.32Å; R380-R430 HydrophobicContact CB-CB 4.3Å; R380-R430 PolarHBondContact N-O 2.97Å; R380-R430 PolarHBondContact O-N 3.07Å; R430-L432 HydrophobicContact CG-CD2 3.96Å; R430-L432 HydrophobicContact CG-CG 4.48Å
431V96.6Very high95.6Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-106.5122.9174.2-170.50000108.4V145 L148 F377 F379 T438 G440 F441V145-V431 HydrophobicContact CG1-CB 4.25Å; V145-V431 HydrophobicContact CG1-CG1 3.77Å; V145-V431 HydrophobicContact CG1-CG2 4.43Å; L148-V431 HydrophobicContact CD1-CG2 4.32Å; F377-V431 HydrophobicContact CE1-CB 4.39Å; F377-V431 HydrophobicContact CE1-CG1 3.78Å; F377-V431 HydrophobicContact CE1-CG2 3.68Å; F377-V431 HydrophobicContact CZ-CG1 3.97Å; F377-V431 HydrophobicContact CZ-CG2 4.32Å; F379-V431 HydrophobicContact CD1-CG2 3.69Å; F379-V431 HydrophobicContact CE1-CG2 3.67Å; V431-T438 VanDerWaalsContact CG1-OG1 3.27Å; V431-T438 WeakPolarHBondContact CG1-OG1 3.22Å; V431-G440 WeakPolarHBondContact O-CA 3.49Å; V431-F441 HydrophobicContact CB-CB 3.92Å; V431-F441 HydrophobicContact CG2-CB 3.96Å; V431-F441 PolarHBondContact N-O 3.08Å; V431-F441 PolarHBondContact O-N 3.05Å
432L97.5Very high95.9Very high0 Ų025.3 Ų25.30%012%0.123CC..  trans-104.5140.7174.7-57.8-179.3000110.3V34 F42 F331 R380 R430 H434 D435V34-L432 HydrophobicContact CG2-CD1 3.86Å; V34-L432 HydrophobicContact CG2-CD2 4.41Å; F42-L432 HydrophobicContact CE2-CD2 4.16Å; F331-L432 HydrophobicContact CD1-CD2 3.92Å; F331-L432 HydrophobicContact CE1-CD2 3.82Å; R380-L432 HydrophobicContact CG-CD1 3.69Å; R380-L432 HydrophobicContact CG-CG 4.02Å; R430-L432 HydrophobicContact CG-CD2 3.96Å; R430-L432 HydrophobicContact CG-CG 4.48Å; L432-H434 PolarHBondContact O-N 3.24Å; L432-D435 PolarHBondContact O-N 3.19Å
433P96.6Very high96Very high0 Ų019.8 Ų19.80%09%0.094CC..Hα-helixtrans-59-39.7-175-29.937.3000115.6F42 L46 F331 D435 N437 T438F42-P433 HydrophobicContact CE2-CG 4.45Å; L46-P433 HydrophobicContact CD2-CG 3.74Å; L46-P433 HydrophobicContact CG-CG 4.29Å; F331-P433 HydrophobicContact CZ-CG 3.95Å; P433-D435 VanDerWaalsContact C-N 3.34Å; P433-N437 WeakPolarHBondContact O-CA 2.95Å; P433-N437 PolarHBondContact O-N 3.3Å; P433-T438 VanDerWaalsContact CA-O 3.27Å; P433-T438 WeakPolarHBondContact CA-O 3.36Å; P433-T438 VanDerWaalsContact CB-O 3.25Å; P433-T438 WeakPolarHBondContact CB-O 3.37Å; P433-T438 PolarHBondContact O-N 2.58Å
434H96.1Very high96.1Very high25 Ų2518.9 Ų18.912%0.1169%0.089CC..Hα-helixtrans-76.6-19.1-17462-67.9000113.4E38 D41 F42 Y45 L432 Q436E38-H434 IonicContact OE2-CD2 3.7Å; E38-H434 IonicContact OE2-CE1 3.94Å; E38-H434 IonicContact OE2-NE2 3.4Å; E38-H434 PolarHBondContact OE2-NE2 3.46Å; D41-H434 HydrophobicContact CB-CB 4.25Å; F42-H434 AromaticContact CD2-CE1 3.88Å; F42-H434 AromaticContact CD2-ND1 3.56Å; Y45-H434 HydrophobicContact CD1-CB 4.49Å; Y45-H434 HydrophobicContact CD2-CB 3.65Å; Y45-H434 HydrophobicContact CE2-CB 4.17Å; Y45-H434 HydrophobicContact CG-CB 3.83Å; L432-H434 PolarHBondContact O-N 3.24Å; H434-Q436 VanDerWaalsContact C-N 3.29Å; H434-Q436 PolarHBondContact O-N 3.28Å
435D94.4Very high96.2Very high19 Ų1915.2 Ų15.210%0.1027%0.072CC..Hα-helixtrans-61.5-38.4179.8-72.4-17.8000112.4K378 R380 L432 P433K378-D435 HydrophobicContact CB-CB 4.15Å; K378-D435 HydrophobicContact CD-CB 4.15Å; K378-D435 VanDerWaalsContact CD-O 3.23Å; K378-D435 WeakPolarHBondContact CD-O 3.49Å; K378-D435 PolarHBondContact NZ-O 3.29Å; R380-D435 IonicContact CZ-OD1 2.74Å; R380-D435 IonicContact CZ-OD2 3.61Å; R380-D435 IonicContact NE-OD1 3.71Å; R380-D435 PolarHBondContact NE-OD1 2.9Å; R380-D435 IonicContact NE-OD2 3.11Å; R380-D435 PolarHBondContact NE-OD2 3.35Å; R380-D435 IonicContact NH2-OD1 3.51Å; R380-D435 PolarHBondContact NH2-OD1 3.13Å; R380-D435 IonicContact NH2-OD2 3.82Å; L432-D435 PolarHBondContact O-N 3.19Å; P433-D435 VanDerWaalsContact C-N 3.34Å
436Q92.1Very high96.2Very high46 Ų4615.2 Ų15.222%0.2157%0.072CC..Hα-helixtrans-161.336.5-174.854.3-178.9600113.7F377 K378 H434 T438F377-Q436 VanDerWaalsContact CE2-NE2 3.28Å; F377-Q436 VanDerWaalsContact CG-NE2 3.35Å; K378-Q436 HydrophobicContact CB-CG 4.22Å; K378-Q436 HydrophobicContact CD-CB 4.3Å; K378-Q436 VanDerWaalsContact N-NE2 3.16Å; K378-Q436 PolarHBondContact O-NE2 3.35Å; H434-Q436 VanDerWaalsContact C-N 3.29Å; H434-Q436 PolarHBondContact O-N 3.28Å; Q436-T438 HydrophobicContact CG-CG2 4.08Å; Q436-T438 PolarHBondContact O-N 3.39Å
437N92.9Very high96.3Very high38 Ų3812.9 Ų12.920%0.2036%0.062CC..THydrogen-bonded Turntrans56.545.1175-167.121.4000115.3Y45 R279 P433Y45-N437 HydrophobicContact CE1-CB 4.04Å; R279-N437 VanDerWaalsContact NH1-C 3.33Å; R279-N437 PolarHBondContact NH1-O 3.34Å; R279-N437 PolarHBondContact NH1-OD1 3.07Å; R279-N437 PolarHBondContact NH2-OD1 3.3Å; P433-N437 WeakPolarHBondContact O-CA 2.95Å; P433-N437 PolarHBondContact O-N 3.3Å
438T94.2Very high96.3Very high6 Ų69.4 Ų9.44%0.0375%0.048CC..  trans-116-178.9-178.158.50000113.4A144 V145 R279 F377 V431 P433 Q436A144-T438 HydrophobicContact CB-CG2 4.13Å; V145-T438 HydrophobicContact CG1-CG2 4.31Å; R279-T438 PolarHBondContact NH1-O 3.03Å; F377-T438 HydrophobicContact CZ-CG2 4.32Å; V431-T438 VanDerWaalsContact CG1-OG1 3.27Å; V431-T438 WeakPolarHBondContact CG1-OG1 3.22Å; P433-T438 VanDerWaalsContact CA-O 3.27Å; P433-T438 WeakPolarHBondContact CA-O 3.36Å; P433-T438 VanDerWaalsContact CB-O 3.25Å; P433-T438 WeakPolarHBondContact CB-O 3.37Å; P433-T438 PolarHBondContact O-N 2.58Å; Q436-T438 HydrophobicContact CG-CG2 4.08Å; Q436-T438 PolarHBondContact O-N 3.39Å
439G95Very high96.2Very high6 Ų612 Ų126%0.0626%0.062CC..  trans-74.4169.8165.800000111.8
440G97.2Very high96.1Very high3 Ų312.2 Ų12.23%0.0317%0.068CC..  trans-78.2135.2166.600000111.3G276 V431G276-G440 WeakPolarHBondContact O-CA 3.38Å; G276-G440 PolarHBondContact O-N 3.19Å; V431-G440 WeakPolarHBondContact O-CA 3.49Å
441F97.7Very high95.9Very high5 Ų514.4 Ų14.42%0.0228%0.083CC..EExtended strand (participates in β ladder)trans-153.3155.8-176.8-148.3-110.4000111.8V145 P149 T328 V431V145-F441 HydrophobicContact CB-CB 3.76Å; V145-F441 HydrophobicContact CB-CD1 4.29Å; V145-F441 HydrophobicContact CB-CD2 4.13Å; V145-F441 HydrophobicContact CB-CG 3.8Å; V145-F441 HydrophobicContact CG1-CB 4.06Å; V145-F441 HydrophobicContact CG2-CB 4.09Å; V145-F441 HydrophobicContact CG2-CD2 3.85Å; V145-F441 HydrophobicContact CG2-CG 4.04Å; P149-F441 HydrophobicContact CG-CE1 3.74Å; P149-F441 HydrophobicContact CG-CZ 3.94Å; T328-F441 VanDerWaalsContact O-CD2 3.27Å; T328-F441 WeakPolarHBondContact O-CD2 3.46Å; T328-F441 WeakPolarHBondContact O-CE2 3.28Å; V431-F441 HydrophobicContact CB-CB 3.92Å; V431-F441 HydrophobicContact CG2-CB 3.96Å; V431-F441 PolarHBondContact N-O 3.08Å; V431-F441 PolarHBondContact O-N 3.05Å
442F98.3Very high95.7Very high0 Ų014.5 Ų14.50%08%0.083CC..EExtended strand (participates in β ladder)trans-133.8140.6172176.4-94.5000109.5Y326 S327 T328 N336 E337 V340 C428 K429 A444Y326-F442 HydrophobicContact CD1-CD1 4.25Å; Y326-F442 AromaticContact CD1-CE1 3.97Å; Y326-F442 HydrophobicContact CD1-CE1 3.97Å; Y326-F442 HydrophobicContact CE1-CD1 4.16Å; Y326-F442 HydrophobicContact CE1-CE1 4.01Å; S327-F442 WeakPolarHBondContact CA-O 3.41Å; S327-F442 WeakPolarHBondContact CB-O 3.46Å; T328-F442 PolarHBondContact N-O 3.44Å; T328-F442 PolarHBondContact O-N 2.94Å; N336-F442 HydrophobicContact CB-CB 4.41Å; N336-F442 HydrophobicContact CB-CD1 3.69Å; N336-F442 HydrophobicContact CB-CD2 3.69Å; N336-F442 HydrophobicContact CB-CE1 3.72Å; N336-F442 HydrophobicContact CB-CE2 3.71Å; N336-F442 HydrophobicContact CB-CG 3.66Å; N336-F442 HydrophobicContact CB-CZ 3.72Å; N336-F442 WeakPolarHBondContact OD1-CB 3.42Å; N336-F442 VanDerWaalsContact OD1-CD1 3.27Å; N336-F442 WeakPolarHBondContact OD1-CD1 3.34Å; N336-F442 VanDerWaalsContact OD1-CG 3.31Å; N336-F442 WeakPolarHBondContact OD1-CG 3.32Å; E337-F442 HydrophobicContact CG-CE2 4.12Å; E337-F442 HydrophobicContact CG-CZ 4.31Å; V340-F442 HydrophobicContact CG2-CE1 4.08Å; V340-F442 HydrophobicContact CG2-CZ 4.32Å; C428-F442 HydrophobicContact CB-CE2 3.6Å; C428-F442 HydrophobicContact CB-CZ 3.54Å; K429-F442 CarbonylContact O-C 3.54Å; K429-F442 WeakPolarHBondContact O-CA 3.36Å; F442-A444 HydrophobicContact CE1-CB 4.22Å; F442-A444 HydrophobicContact CZ-CB 4.49Å
443I97.9Very high95.5Very high2 Ų217.4 Ų17.41%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-144.4138.4178.6-172.9145.6000112.1P149 L152 V325 Y326 F379 K429P149-I443 HydrophobicContact CB-CD1 3.94Å; P149-I443 HydrophobicContact CG-CD1 3.85Å; L152-I443 HydrophobicContact CD1-CD1 3.23Å; L152-I443 HydrophobicContact CD1-CG1 3.9Å; L152-I443 HydrophobicContact CD1-CG2 4.44Å; V325-I443 HydrophobicContact CG1-CD1 3.42Å; V325-I443 VanDerWaalsContact CG1-CD1 3.42Å; V325-I443 HydrophobicContact CG1-CG1 3.77Å; Y326-I443 CarbonylContact O-C 3.23Å; Y326-I443 WeakPolarHBondContact O-CA 3.07Å; F379-I443 HydrophobicContact CE1-CG2 4.4Å; K429-I443 HydrophobicContact CB-CG2 3.77Å; K429-I443 PolarHBondContact N-O 2.87Å; K429-I443 PolarHBondContact O-N 3.23Å
444A98.4Very high95.3Very high0 Ų020.8 Ų20.80%012%0.115CC..EExtended strand (participates in β ladder)trans-131.2131.5172.100000108.8Y326 V340 L353 F442 L446Y326-A444 PolarHBondContact N-O 3.42Å; Y326-A444 PolarHBondContact O-N 3.11Å; V340-A444 HydrophobicContact CG1-CB 4.49Å; V340-A444 HydrophobicContact CG2-CB 3.83Å; L353-A444 HydrophobicContact CD2-CB 3.83Å; F442-A444 HydrophobicContact CE1-CB 4.22Å; F442-A444 HydrophobicContact CZ-CB 4.49Å; A444-L446 HydrophobicContact CB-CD1 4.18Å
445V98.3Very high94.6Very high4 Ų420.5 Ų20.52%0.02411%0.114CC..EExtended strand (participates in β ladder)trans-109120.1179-169.80000108.1L152 R323 V325 L353 I354 P356L152-V445 HydrophobicContact CB-CG2 4.06Å; L152-V445 HydrophobicContact CD1-CG2 4.28Å; L152-V445 HydrophobicContact CD2-CG2 4.36Å; L152-V445 HydrophobicContact CG-CG2 4.47Å; R323-V445 VanDerWaalsContact CD-CG1 3.47Å; R323-V445 HydrophobicContact CG-CG1 3.68Å; V325-V445 HydrophobicContact CG2-CG1 4.15Å; V325-V445 HydrophobicContact CG2-CG2 4.25Å; L353-V445 WeakPolarHBondContact CA-O 3.35Å; I354-V445 HydrophobicContact CD1-CB 4.48Å; I354-V445 HydrophobicContact CD1-CG1 3.73Å; I354-V445 HydrophobicContact CG1-CB 3.92Å; I354-V445 HydrophobicContact CG1-CG1 3.63Å; I354-V445 PolarHBondContact N-O 3.02Å; P356-V445 HydrophobicContact CG-CB 4.2Å; P356-V445 HydrophobicContact CG-CG1 3.88Å; P356-V445 HydrophobicContact CG-CG2 4.04Å
446L98.3Very high93.3Very high0 Ų023.4 Ų23.40%013%0.13CC..EExtended strand (participates in β ladder)trans-116.1136.4-173.8-59.496.1000110.4L304 R323 L324 L344 V351 R352 L353 A444L304-L446 HydrophobicContact CD1-CD1 4.38Å; R323-L446 CarbonylContact C-O 3.57Å; R323-L446 WeakPolarHBondContact CA-O 3.42Å; L324-L446 HydrophobicContact CD2-CD1 3.82Å; L324-L446 PolarHBondContact N-O 3.29Å; L324-L446 PolarHBondContact O-N 3.41Å; L344-L446 HydrophobicContact CD2-CD2 3.89Å; L344-L446 HydrophobicContact CG-CD2 4.39Å; V351-L446 HydrophobicContact CG1-CB 3.95Å; V351-L446 HydrophobicContact CG1-CD2 3.85Å; R352-L446 VanDerWaalsContact O-CA 3.3Å; R352-L446 WeakPolarHBondContact O-CA 3.29Å; L353-L446 HydrophobicContact CD2-CG 4.09Å; A444-L446 HydrophobicContact CB-CD1 4.18Å
447E97.1Very high91.6Very high15 Ų1524 Ų247%0.0714%0.143CC..EExtended strand (participates in β ladder)trans-114.2136.2169.4-74.7-175.8164.900110.3R323 V351 R352 I354 I449R323-E447 IonicContact CZ-OE1 2.79Å; R323-E447 IonicContact NE-OE1 3.92Å; R323-E447 IonicContact NH2-OE1 3.98Å; R323-E447 PolarHBondContact NH2-OE1 3.43Å; V351-E447 WeakPolarHBondContact CA-O 3.34Å; R352-E447 HydrophobicContact CG-CB 4.28Å; R352-E447 IonicContact CZ-OE2 3.41Å; R352-E447 PolarHBondContact N-O 2.79Å; R352-E447 IonicContact NE-OE2 3.86Å; R352-E447 PolarHBondContact NE-OE2 3.2Å; R352-E447 IonicContact NH2-OE2 3.55Å; R352-E447 PolarHBondContact NH2-OE2 3.12Å; R352-E447 PolarHBondContact O-N 2.74Å; I354-E447 HydrophobicContact CD1-CG 3.78Å; I354-E447 WeakPolarHBondContact CD1-OE1 3.5Å; I354-E447 HydrophobicContact CG1-CG 4.13Å; I354-E447 HydrophobicContact CG2-CB 4.3Å; I354-E447 HydrophobicContact CG2-CG 4.02Å; E447-I449 HydrophobicContact CB-CG2 4.49Å
448K95.7Very high89.5Confident0 Ų028.2 Ų28.20%017%0.17CC..EExtended strand (participates in β ladder)trans-94.3109.2175.8-176.9176.2178.4-170.80109.5L308 L311 D313 Y321 S322 V351 A450 L452L308-K448 PolarHBondContact O-NZ 2.91Å; L308-K448 VanDerWaalsContact O-NZ 3.14Å; L311-K448 HydrophobicContact CB-CD 4.23Å; L311-K448 HydrophobicContact CD2-CB 3.77Å; L311-K448 HydrophobicContact CD2-CD 4.35Å; L311-K448 PolarHBondContact O-NZ 3.09Å; D313-K448 WeakPolarHBondContact OD1-CE 3.4Å; D313-K448 IonicContact OD1-NZ 3.67Å; D313-K448 PolarHBondContact OD1-NZ 2.84Å; Y321-K448 WeakPolarHBondContact CD1-O 3.46Å; S322-K448 PolarHBondContact O-N 3.38Å; V351-K448 HydrophobicContact CG2-CB 4.46Å; V351-K448 HydrophobicContact CG2-CG 4.36Å; K448-A450 WeakPolarHBondContact CG-O 3.38Å; K448-L452 HydrophobicContact CD-CD2 4.4Å
449I94.4Very high87.4Confident54 Ų5432.7 Ų32.728%0.27719%0.188SC..  trans-102.4-9.1-172.464.8169.1000113.3P314 Y321 G349 T350 R352 E447P314-I449 WeakPolarHBondContact CG-O 3.28Å; Y321-I449 HydrophobicContact CD1-CB 4.27Å; Y321-I449 HydrophobicContact CD1-CG2 3.94Å; Y321-I449 HydrophobicContact CD2-CG2 4.31Å; Y321-I449 HydrophobicContact CE1-CB 3.92Å; Y321-I449 HydrophobicContact CE1-CG2 3.86Å; Y321-I449 HydrophobicContact CE2-CG2 4.24Å; Y321-I449 HydrophobicContact CG-CG2 4.16Å; G349-I449 WeakPolarHBondContact O-CD1 3.29Å; T350-I449 WeakPolarHBondContact O-CG1 3.45Å; T350-I449 PolarHBondContact O-N 3.19Å; R352-I449 HydrophobicContact CG-CG2 4.14Å; E447-I449 HydrophobicContact CB-CG2 4.49Å
450A92.9Very high85.5Confident31 Ų3133 Ų3326%0.25619%0.188SC..SBendtrans-154.7163.517100000110.5T350 K448T350-A450 HydrophobicContact CG2-CB 3.99Å; T350-A450 PolarHBondContact O-N 3.3Å; K448-A450 WeakPolarHBondContact CG-O 3.38Å
451P91.5Very high83.4Confident48 Ų4838.3 Ų38.331%0.31221%0.212SC..  trans-55.2140.1170.2-25.235.1000112D313 T350 A457D313-P451 HydrophobicContact CB-CG 4.48Å; T350-P451 WeakPolarHBondContact CG2-O 3.26Å; P451-A457 HydrophobicContact CB-CB 3.83Å; P451-A457 HydrophobicContact CG-CB 3.9Å
452L94Very high81.5Confident2 Ų242.1 Ų42.11%0.0124%0.235CC..  trans-65.7146-176.4-55-179.9000111.7L308 E309 V351 K448 W454 M455L308-L452 HydrophobicContact CB-CD1 3.9Å; E309-L452 HydrophobicContact CG-CD1 4.17Å; V351-L452 HydrophobicContact CG2-CD2 3.54Å; K448-L452 HydrophobicContact CD-CD2 4.4Å; L452-W454 VanDerWaalsContact C-N 3.27Å; L452-W454 HydrophobicContact CB-CD2 4.27Å; L452-W454 HydrophobicContact CB-CH2 4.48Å; L452-W454 HydrophobicContact CB-CZ2 4.21Å; L452-W454 HydrophobicContact CD1-CH2 4.19Å; L452-W454 HydrophobicContact CD1-CZ2 3.5Å; L452-W454 HydrophobicContact CG-CZ2 4.33Å; L452-W454 PolarHBondContact O-N 2.94Å; L452-W454 VanDerWaalsContact O-N 3.16Å; L452-M455 HydrophobicContact CB-CB 4.21Å; L452-M455 HydrophobicContact CB-CG 3.99Å; L452-M455 HydrophobicContact CB-SD 3.92Å; L452-M455 HydrophobicContact CD1-CG 4.49Å; L452-M455 HydrophobicContact CD1-SD 3.63Å; L452-M455 HydrophobicContact CG-SD 3.91Å; L452-M455 WeakPolarHBondContact O-CB 3.36Å; L452-M455 PolarHBondContact O-N 3.19Å
453P92.5Very high79.6Confident61 Ų6145 Ų4540%0.39625%0.254SS..THydrogen-bonded Turntrans-61.4-30.4-174.2-24.533.5000114.9C347 R348 T350 M455C347-P453 VanDerWaalsContact O-CG 3.22Å; C347-P453 WeakPolarHBondContact O-CG 3.4Å; R348-P453 HydrophobicContact CB-CG 4.08Å; R348-P453 HydrophobicContact CG-CG 4.3Å; T350-P453 HydrophobicContact CG2-CG 4.09Å; P453-M455 VanDerWaalsContact C-N 3.3Å
454W91.9Very high78.1Confident71 Ų7145.4 Ų45.427%0.26926%0.256SS..THydrogen-bonded Turntrans-89.44.7179.160.987.5000113.3K305 E309 A346 L452K305-W454 HydrophobicContact CD-CZ2 4.2Å; K305-W454 VanDerWaalsContact CE-CE2 3.46Å; K305-W454 HydrophobicContact CG-CH2 4.43Å; K305-W454 HydrophobicContact CG-CZ2 3.69Å; E309-W454 PolarHBondContact OE1-NE1 3.33Å; E309-W454 VanDerWaalsContact OE1-NE1 3.14Å; A346-W454 HydrophobicContact CB-CH2 4.37Å; A346-W454 HydrophobicContact CB-CZ3 3.82Å; A346-W454 WeakPolarHBondContact O-CZ3 3.49Å; L452-W454 VanDerWaalsContact C-N 3.27Å; L452-W454 HydrophobicContact CB-CD2 4.27Å; L452-W454 HydrophobicContact CB-CH2 4.48Å; L452-W454 HydrophobicContact CB-CZ2 4.21Å; L452-W454 HydrophobicContact CD1-CH2 4.19Å; L452-W454 HydrophobicContact CD1-CZ2 3.5Å; L452-W454 HydrophobicContact CG-CZ2 4.33Å; L452-W454 PolarHBondContact O-N 2.94Å; L452-W454 VanDerWaalsContact O-N 3.16Å
455M83.1Confident76.4Confident19 Ų1946.2 Ų46.29%0.09426%0.262CS..SBendtrans-111.6132.1-179.5-72.4-174.3119.700110.5E309 L452 P453 A457 R460E309-M455 HydrophobicContact CB-CE 3.52Å; E309-M455 HydrophobicContact CB-SD 4.33Å; E309-M455 HydrophobicContact CG-CE 3.67Å; E309-M455 HydrophobicContact CG-SD 4.09Å; E309-M455 WeakPolarHBondContact O-CE 3.41Å; L452-M455 HydrophobicContact CB-CB 4.21Å; L452-M455 HydrophobicContact CB-CG 3.99Å; L452-M455 HydrophobicContact CB-SD 3.92Å; L452-M455 HydrophobicContact CD1-CG 4.49Å; L452-M455 HydrophobicContact CD1-SD 3.63Å; L452-M455 HydrophobicContact CG-SD 3.91Å; L452-M455 WeakPolarHBondContact O-CB 3.36Å; L452-M455 PolarHBondContact O-N 3.19Å; P453-M455 VanDerWaalsContact C-N 3.3Å; M455-A457 PolarHBondContact O-N 3.47Å; M455-R460 VanDerWaalsContact CB-NH2 3.29Å; M455-R460 VanDerWaalsContact CG-NH2 3.34Å; M455-R460 VanDerWaalsContact SD-CZ 3.6Å; M455-R460 PolarHBondContact SD-NH1 3.23Å; M455-R460 VanDerWaalsContact SD-NH1 3.41Å; M455-R460 PolarHBondContact SD-NH2 2.85Å
456N66.2Low74.6Confident81 Ų8149.8 Ų49.843%0.43328%0.281SS..  trans-72109.9172.4-66.3-32000109.9T458 F476N456-T458 VanDerWaalsContact C-N 3.29Å; N456-T458 PolarHBondContact O-N 3.2Å; N456-F476 HydrophobicContact CB-CE1 3.94Å; N456-F476 WeakPolarHBondContact O-CE1 3.42Å
457A56.7Low72.9Confident59 Ų5956.7 Ų56.749%0.48832%0.318SS..G310 helixtrans-61.8-33.5-179.600000113.3P451 M455 K459P451-A457 HydrophobicContact CB-CB 3.83Å; P451-A457 HydrophobicContact CG-CB 3.9Å; M455-A457 PolarHBondContact O-N 3.47Å; A457-K459 VanDerWaalsContact C-N 3.34Å; A457-K459 PolarHBondContact O-N 3.33Å
458T48.5Very low71.1Confident126 Ų12660.7 Ų60.777%0.77334%0.337SS*.G310 helixtrans-77.2-0.3-166.924.70000116.8N456N456-T458 VanDerWaalsContact C-N 3.29Å; N456-T458 PolarHBondContact O-N 3.2Å
459K50.8Low69.4Low99 Ų9961 Ų6143%0.4334%0.338SS..G310 helixtrans-124.39.4-168.7-81-175176.7-178.10116.1A457 F476A457-K459 VanDerWaalsContact C-N 3.34Å; A457-K459 PolarHBondContact O-N 3.33Å; K459-F476 HydrophobicContact CB-CE1 4.36Å; K459-F476 HydrophobicContact CB-CE2 3.95Å; K459-F476 HydrophobicContact CB-CZ 3.39Å
460R54.4Low67.9Low14 Ų1464.1 Ų64.15%0.05336%0.356CS..SBendtrans-97.2-40.5-174.6-74.5-164.5-179.9124.330.1116.5D313 M455 V462 F476D313-R460 IonicContact OD1-NH1 3.86Å; D313-R460 IonicContact OD2-CZ 2.77Å; D313-R460 IonicContact OD2-NH1 3.53Å; D313-R460 PolarHBondContact OD2-NH1 3.24Å; M455-R460 VanDerWaalsContact CB-NH2 3.29Å; M455-R460 VanDerWaalsContact CG-NH2 3.34Å; M455-R460 VanDerWaalsContact SD-CZ 3.6Å; M455-R460 PolarHBondContact SD-NH1 3.23Å; M455-R460 VanDerWaalsContact SD-NH1 3.41Å; M455-R460 PolarHBondContact SD-NH2 2.85Å; R460-V462 VanDerWaalsContact C-N 3.27Å; R460-F476 HydrophobicContact CG-CZ 4.31Å
461E53.5Low66.1Low113 Ų11368.6 Ų68.653%0.52837%0.371SS..SBendtrans-85.7-5-175.2-59.3-158.3136.400113R259R259-E461 IonicContact NH2-OE1 2.93Å
462V57Low64.4Low85 Ų8567.5 Ų67.552%0.51536%0.363SS..SBendtrans-76.5130.8178-170.70000109R460 V464R460-V462 VanDerWaalsContact C-N 3.27Å; V462-V464 WeakPolarHBondContact O-CG2 3.34Å; V462-V464 PolarHBondContact O-N 3.5Å
463P59.6Low62.9Low60 Ų6069.9 Ų69.939%0.3938%0.375SS..  trans-50.4129.9169.1-26.234.2000111L247 D257 L258L247-P463 HydrophobicContact CD1-CG 4.49Å; D257-P463 HydrophobicContact CB-CB 4.11Å; L258-P463 WeakPolarHBondContact O-CA 3.34Å
464V65Low61.1Low11 Ų1174.4 Ų74.47%0.06739%0.389CS..BIsolated β-bridgetrans-110.5131-179.6-175.30000108.9L258 V462 Q468 I469 I472L258-V464 WeakPolarHBondContact CB-O 3.49Å; L258-V464 PolarHBondContact N-O 3.25Å; L258-V464 VanDerWaalsContact N-O 3.11Å; L258-V464 PolarHBondContact O-N 3.11Å; V462-V464 WeakPolarHBondContact O-CG2 3.34Å; V462-V464 PolarHBondContact O-N 3.5Å; V464-Q468 HydrophobicContact CG1-CB 3.93Å; V464-I469 HydrophobicContact CB-CG1 4.37Å; V464-I469 HydrophobicContact CG1-CD1 4.28Å; V464-I469 HydrophobicContact CG1-CG1 3.49Å; V464-I469 VanDerWaalsContact CG1-CG1 3.49Å; V464-I472 HydrophobicContact CB-CD1 4.24Å; V464-I472 HydrophobicContact CG1-CD1 3.27Å; V464-I472 HydrophobicContact CG2-CD1 3.86Å
465S62.3Low59Low17 Ų1775.8 Ų75.812%0.11940%0.398CS..  trans-75146.3170.561.70000111.1N467 Q468S465-N467 PolarHBondContact O-N 3.4Å; S465-Q468 PolarHBondContact O-N 3.06Å; S465-Q468 WeakPolarHBondContact OG-CG 3.31Å
466N61Low57.5Low79 Ų7976 Ų7642%0.42240%0.399SS..G310 helixtrans-46.2-38.9179.4-100-15.5000113.8L258 Q468 R569L258-N466 WeakPolarHBondContact CD1-OD1 3.45Å; N466-Q468 VanDerWaalsContact C-N 3.34Å; N466-Q468 PolarHBondContact O-N 2.87Å; N466-R569 PolarHBondContact OD1-NH2 2.88Å
467N62.6Low56.7Low146 Ų14675.1 Ų75.178%0.78139%0.392SS*.G310 helixtrans-69.9-24.6-178-67-13.4000114.1S465S465-N467 PolarHBondContact O-N 3.4Å
468Q60.8Low56.1Low99 Ų9973.6 Ų73.646%0.46338%0.377SS..G310 helixtrans-86.9-15.5-176.5-71177.6900113.5V464 S465 N466 N470 Q471 I472V464-Q468 HydrophobicContact CG1-CB 3.93Å; S465-Q468 PolarHBondContact O-N 3.06Å; S465-Q468 WeakPolarHBondContact OG-CG 3.31Å; N466-Q468 VanDerWaalsContact C-N 3.34Å; N466-Q468 PolarHBondContact O-N 2.87Å; Q468-N470 PolarHBondContact O-N 3.25Å; Q468-Q471 WeakPolarHBondContact O-CB 3.37Å; Q468-Q471 PolarHBondContact O-N 3.25Å; Q468-Q471 VanDerWaalsContact O-N 3.11Å; Q468-I472 HydrophobicContact CB-CD1 3.98Å; Q468-I472 WeakPolarHBondContact O-CG1 3.46Å; Q468-I472 PolarHBondContact O-N 3.11Å
469I59.7Low56Low5 Ų577.8 Ų77.83%0.02639%0.385CS..Hα-helixtrans-64.8-46-169.5-67.6175.4000112.2Y244 L258 V464 Q471 I472 D473Y244-I469 HydrophobicContact CD1-CD1 4.41Å; Y244-I469 HydrophobicContact CE1-CD1 4.4Å; Y244-I469 HydrophobicContact CE2-CG2 4.17Å; L258-I469 HydrophobicContact CB-CD1 4.42Å; L258-I469 HydrophobicContact CD1-CD1 3.35Å; L258-I469 HydrophobicContact CG-CD1 4.47Å; V464-I469 HydrophobicContact CB-CG1 4.37Å; V464-I469 HydrophobicContact CG1-CD1 4.28Å; V464-I469 HydrophobicContact CG1-CG1 3.49Å; V464-I469 VanDerWaalsContact CG1-CG1 3.49Å; I469-Q471 PolarHBondContact O-N 3.12Å; I469-I472 WeakPolarHBondContact O-CB 3.36Å; I469-I472 PolarHBondContact O-N 2.82Å; I469-D473 PolarHBondContact O-N 3.15Å
470N61.8Low55.6Low121 Ų12180.8 Ų80.865%0.64741%0.405SS*.Hα-helixtrans-60.3-28.9177.5-73.1-30.3000112.7Q468 K474Q468-N470 PolarHBondContact O-N 3.25Å; N470-K474 WeakPolarHBondContact O-CG 3.21Å
471Q55.7Low55Low125 Ų12583.3 Ų83.358%0.58442%0.42SS*.Hα-helixtrans-78.6-39.2175.1-61.7-175.44.100111.3Q468 I469 K474 Q475Q468-Q471 WeakPolarHBondContact O-CB 3.37Å; Q468-Q471 PolarHBondContact O-N 3.25Å; Q468-Q471 VanDerWaalsContact O-N 3.11Å; I469-Q471 PolarHBondContact O-N 3.12Å; Q471-K474 PolarHBondContact O-N 3.11Å; Q471-Q475 WeakPolarHBondContact O-CG 3.35Å; Q471-Q475 PolarHBondContact O-N 2.65Å
472I56.2Low54.1Low25 Ų2584 Ų8413%0.12844%0.437CS..Hα-helixtrans-65.2-44.3177.7-75.2166.8000111.1V464 Q468 I469 K474 Q475 F476V464-I472 HydrophobicContact CB-CD1 4.24Å; V464-I472 HydrophobicContact CG1-CD1 3.27Å; V464-I472 HydrophobicContact CG2-CD1 3.86Å; Q468-I472 HydrophobicContact CB-CD1 3.98Å; Q468-I472 WeakPolarHBondContact O-CG1 3.46Å; Q468-I472 PolarHBondContact O-N 3.11Å; I469-I472 WeakPolarHBondContact O-CB 3.36Å; I469-I472 PolarHBondContact O-N 2.82Å; I472-K474 PolarHBondContact O-N 2.83Å; I472-Q475 PolarHBondContact O-N 3.3Å; I472-F476 HydrophobicContact CG2-CD2 3.55Å; I472-F476 HydrophobicContact CG2-CE2 3.63Å; I472-F476 WeakPolarHBondContact O-CD2 3.03Å; I472-F476 PolarHBondContact O-N 3.07Å
473D61.1Low53.7Low52 Ų5285 Ų8528%0.27843%0.431SS..Hα-helixtrans-57.9-36.3178.7-87.1-33.7000112.2R242 I469R242-D473 WeakPolarHBondContact CD-OD1 3.42Å; R242-D473 IonicContact CZ-OD1 3.03Å; R242-D473 PolarHBondContact NH1-O 3.36Å; R242-D473 IonicContact NH1-OD1 3.84Å; R242-D473 PolarHBondContact NH1-OD1 3.45Å; I469-D473 PolarHBondContact O-N 3.15Å
474K54.8Low52.4Low156 Ų15687.3 Ų87.368%0.67845%0.447SS*.Hα-helixtrans-72.9-39.8172.6-66.4178.1-178.5-177.40113.5N470 Q471 I472 F476 E477N470-K474 WeakPolarHBondContact O-CG 3.21Å; Q471-K474 PolarHBondContact O-N 3.11Å; I472-K474 PolarHBondContact O-N 2.83Å; K474-F476 VanDerWaalsContact C-N 3.29Å; K474-F476 PolarHBondContact O-N 2.82Å; K474-E477 PolarHBondContact O-N 3.11Å
475Q48.1Very low50.9Low99 Ų9990.7 Ų90.746%0.46347%0.469SS..Hα-helixtrans-68.5-26.3-179.9-78.4-176.81600113.7Q471 I472Q471-Q475 WeakPolarHBondContact O-CG 3.35Å; Q471-Q475 PolarHBondContact O-N 2.65Å; I472-Q475 PolarHBondContact O-N 3.3Å
476F51.6Low49.8Very low24 Ų2493 Ų9311%0.10548%0.484CS..THydrogen-bonded Turntrans-9810.2177.5-75.4-79.9000113.3R242 N456 K459 R460 I472 K474R242-F476 PolarHBondContact NH2-O 3.4Å; R242-F476 VanDerWaalsContact NH2-O 3.09Å; N456-F476 HydrophobicContact CB-CE1 3.94Å; N456-F476 WeakPolarHBondContact O-CE1 3.42Å; K459-F476 HydrophobicContact CB-CE1 4.36Å; K459-F476 HydrophobicContact CB-CE2 3.95Å; K459-F476 HydrophobicContact CB-CZ 3.39Å; R460-F476 HydrophobicContact CG-CZ 4.31Å; I472-F476 HydrophobicContact CG2-CD2 3.55Å; I472-F476 HydrophobicContact CG2-CE2 3.63Å; I472-F476 WeakPolarHBondContact O-CD2 3.03Å; I472-F476 PolarHBondContact O-N 3.07Å; K474-F476 VanDerWaalsContact C-N 3.29Å; K474-F476 PolarHBondContact O-N 2.82Å
477E49.5Very low48.6Very low63 Ų6394.5 Ų94.529%0.29450%0.496SS..SBendtrans-65.8136163.6-71.1-164143.800108.6K474 K479 C486K474-E477 PolarHBondContact O-N 3.11Å; E477-K479 PolarHBondContact O-N 3.31Å; E477-K479 VanDerWaalsContact O-N 3.16Å; E477-C486 WeakPolarHBondContact OE1-CB 3.34Å; E477-C486 PolarHBondContact OE1-N 2.92Å
478P45Very low47.4Very low27 Ų2791.7 Ų91.718%0.17549%0.493CS..  trans-55.6125.3176.911.6-17.9000109.4D480 D481P478-D480 PolarHBondContact O-N 3.41Å; P478-D481 HydrophobicContact CB-CB 4.46Å; P478-D481 HydrophobicContact CG-CB 4.07Å; P478-D481 PolarHBondContact O-N 3.12Å
479K45.9Very low46.2Very low214 Ų21494.6 Ų94.693%0.9350%0.504SS*.THydrogen-bonded Turntrans-56.4-16.5-178.2-73.5-174.41771800114.1E477E477-K479 PolarHBondContact O-N 3.31Å; E477-K479 VanDerWaalsContact O-N 3.16Å
480D42.2Very low44.8Very low161 Ų161103.9 Ų103.986%0.86154%0.544SS*.THydrogen-bonded Turntrans-124.523.2-167-150.711000113.4P478P478-D480 PolarHBondContact O-N 3.41Å
481D41.2Very low43.6Very low68 Ų68101.1 Ų101.136%0.36454%0.535SS..  trans-97.5113172-141.3-15.7000108.7P478 R483P478-D481 HydrophobicContact CB-CB 4.46Å; P478-D481 HydrophobicContact CG-CB 4.07Å; P478-D481 PolarHBondContact O-N 3.12Å; D481-R483 VanDerWaalsContact CG-NE 3.32Å; D481-R483 PolarHBondContact O-N 3.09Å; D481-R483 IonicContact OD1-NE 3.89Å; D481-R483 IonicContact OD2-CZ 3.56Å; D481-R483 IonicContact OD2-NE 2.78Å; D481-R483 PolarHBondContact OD2-NE 2.68Å; D481-R483 IonicContact OD2-NH2 3.83Å; D481-R483 PolarHBondContact OD2-NH2 3.05Å
482S36.2Very low42.6Very low127 Ų127104.1 Ų104.189%0.88854%0.541SS*.  trans-70.337.1178.151.10000113.2
483R46.9Very low41.4Very low105 Ų105108.9 Ų108.940%0.39657%0.565SS.*SBendtrans-82.2145.3170.2-67.2-171.8-96.6159.3-4.7109.3D481D481-R483 VanDerWaalsContact CG-NE 3.32Å; D481-R483 PolarHBondContact O-N 3.09Å; D481-R483 IonicContact OD1-NE 3.89Å; D481-R483 IonicContact OD2-CZ 3.56Å; D481-R483 IonicContact OD2-NE 2.78Å; D481-R483 PolarHBondContact OD2-NE 2.68Å; D481-R483 IonicContact OD2-NH2 3.83Å; D481-R483 PolarHBondContact OD2-NH2 3.05Å
484P32.3Very low40.3Very low109 Ų109111.7 Ų111.771%0.70858%0.575SS**  trans-54.8138.7144.725.8-29.2000106.5
485P33.5Very low39.4Very low82 Ų82112.6 Ų112.653%0.53258%0.581SS.*  trans-44.9150.7-174.916.7-30.5000109.5V487P485-V487 PolarHBondContact O-N 3.5Å
486C40Very low39.4Very low66 Ų66111.2 Ų111.245%0.44658%0.575SS.*  trans-57.191.4162.2-99.80000105E477 A488E477-C486 WeakPolarHBondContact OE1-CB 3.34Å; E477-C486 PolarHBondContact OE1-N 2.92Å; C486-A488 VanDerWaalsContact C-N 3.26Å; C486-A488 PolarHBondContact O-N 3.23Å
487V35Very low39.7Very low110 Ų110113.7 Ų113.767%0.66759%0.589SS**  trans-53111166.1178.8000099.4P485 K489P485-V487 PolarHBondContact O-N 3.5Å; V487-K489 WeakPolarHBondContact O-CA 3.17Å; V487-K489 PolarHBondContact O-N 2.99Å
488A37.4Very low40.8Very low87 Ų87112.8 Ų112.872%0.71960%0.597SS**  trans-47.697166.800000102.3C486 K490C486-A488 VanDerWaalsContact C-N 3.26Å; C486-A488 PolarHBondContact O-N 3.23Å; A488-K490 VanDerWaalsContact C-N 3.32Å; A488-K490 PolarHBondContact O-N 3.35Å
489K36Very low42.6Very low161 Ų161113.2 Ų113.270%0.760%0.596SS**  trans-58.6114.2-172-84.9175.7-178.1160.4099.6V487 S491V487-K489 WeakPolarHBondContact O-CA 3.17Å; V487-K489 PolarHBondContact O-N 2.99Å; K489-S491 VanDerWaalsContact C-N 3.34Å; K489-S491 WeakPolarHBondContact O-CA 3.31Å; K489-S491 PolarHBondContact O-N 3.4Å
490K31.8Very low44.6Very low199 Ų199106.8 Ų106.887%0.86558%0.575SS**  trans-37.4113.6172.6-82.8-175175.6-177.40103.7A488 R492A488-K490 VanDerWaalsContact C-N 3.32Å; A488-K490 PolarHBondContact O-N 3.35Å; K490-R492 PolarHBondContact O-N 2.92Å
491S35.9Very low46.8Very low64 Ų64100.7 Ų100.745%0.44854%0.54SS..  trans-33.9110.8-173.1158.30000105.6K489 I493K489-S491 VanDerWaalsContact C-N 3.34Å; K489-S491 WeakPolarHBondContact O-CA 3.31Å; K489-S491 PolarHBondContact O-N 3.4Å; S491-I493 PolarHBondContact O-N 3.37Å; S491-I493 WeakPolarHBondContact OG-CG1 3.33Å
492R34.9Very low49Very low188 Ų18898 Ų9871%0.70953%0.525SS*.  trans-68.391.9167.4-77.3-173.4-177-178.3-0.1101K490 F494K490-R492 PolarHBondContact O-N 2.92Å; R492-F494 HydrophobicContact CB-CD2 3.93Å; R492-F494 HydrophobicContact CB-CE2 3.77Å; R492-F494 WeakPolarHBondContact O-CD2 3.18Å; R492-F494 PolarHBondContact O-N 3.47Å
493I31.1Very low51.1Low125 Ų12595.7 Ų95.764%0.64150%0.503SS*.  trans-63.187.1175.7-59.7170.9000103.7S491 H495S491-I493 PolarHBondContact O-N 3.37Å; S491-I493 WeakPolarHBondContact OG-CG1 3.33Å; I493-H495 PolarHBondContact O-N 3.3Å
494F36.8Very low52.4Low111 Ų11192 Ų9249%0.48749%0.493SS..  trans-71.6114166.5-83.7-83.2000104.4R492 E496 K572R492-F494 HydrophobicContact CB-CD2 3.93Å; R492-F494 HydrophobicContact CB-CE2 3.77Å; R492-F494 WeakPolarHBondContact O-CD2 3.18Å; R492-F494 PolarHBondContact O-N 3.47Å; F494-E496 PolarHBondContact O-N 3.38Å; F494-K572 HydrophobicContact CD2-CD 4.25Å
495H35.6Very low54.4Low175 Ų17593.9 Ų93.981%0.8150%0.496SS*.  trans-68.643.9172.2-80.9-78.2000112.1I493I493-H495 PolarHBondContact O-N 3.3Å
496E49.8Very low56.4Low69 Ų6994 Ų9432%0.32250%0.499SS..SBendtrans-78.1122154.2-84.4-158.5-176.700106.6Y216 F494 G498 R541Y216-E496 PolarHBondContact OH-OE1 3.46Å; F494-E496 PolarHBondContact O-N 3.38Å; E496-G498 PolarHBondContact O-N 3.42Å; E496-G498 VanDerWaalsContact O-N 3.1Å; E496-R541 IonicContact OE2-CZ 2.86Å; E496-R541 IonicContact OE2-NH2 3.89Å; E496-R541 PolarHBondContact OE2-NH2 2.92Å
497N58Low58.3Low77 Ų7792.7 Ų92.741%0.41249%0.487SS..  trans-43.4118.3-179.1-61.3-19.1000111.1R541 S542N497-R541 HydrophobicContact CB-CG 4.11Å; N497-R541 WeakPolarHBondContact O-CG 3.34Å; N497-R541 PolarHBondContact O-NE 2.84Å; N497-S542 WeakPolarHBondContact CB-O 3.28Å; N497-S542 PolarHBondContact ND2-O 3.32Å
498G71.5Confident60.7Low44 Ų4491.7 Ų91.745%0.45448%0.483SS..  trans-60154.9-177.200000112.6E496 S542E496-G498 PolarHBondContact O-N 3.42Å; E496-G498 VanDerWaalsContact O-N 3.1Å; G498-S542 PolarHBondContact O-N 2.95Å
499F82.8Confident63.1Low36 Ų3688.6 Ų88.616%0.15846%0.456CS..EExtended strand (participates in β ladder)trans-79.3122.5171-70.8-72.4000108.8L539 I573 T576F499-L539 HydrophobicContact CB-CD1 3.59Å; F499-L539 HydrophobicContact CB-CD2 4.05Å; F499-L539 HydrophobicContact CB-CG 4.15Å; F499-L539 HydrophobicContact CD1-CD1 4.28Å; F499-L539 HydrophobicContact CD1-CD2 3.41Å; F499-L539 VanDerWaalsContact CD1-CD2 3.41Å; F499-L539 HydrophobicContact CD1-CG 3.88Å; F499-L539 HydrophobicContact CE1-CD2 4.13Å; F499-L539 HydrophobicContact CG-CD1 4.38Å; F499-L539 HydrophobicContact CG-CD2 3.97Å; F499-L539 HydrophobicContact CG-CG 4.45Å; F499-I573 HydrophobicContact CD2-CB 4.27Å; F499-I573 HydrophobicContact CD2-CG2 4Å; F499-I573 HydrophobicContact CE2-CB 4.09Å; F499-I573 HydrophobicContact CE2-CG2 3.59Å; F499-I573 HydrophobicContact CZ-CG2 4.45Å; F499-T576 HydrophobicContact CD1-CG2 4.24Å; F499-T576 HydrophobicContact CD2-CG2 4.38Å; F499-T576 HydrophobicContact CE1-CG2 4.16Å; F499-T576 HydrophobicContact CE2-CG2 4.34Å; F499-T576 HydrophobicContact CG-CG2 4.34Å; F499-T576 HydrophobicContact CZ-CG2 4.22Å
500T87.1Confident65.6Low78 Ų7881 Ų8148%0.47942%0.423SS..EExtended strand (participates in β ladder)trans-119.9121.2176.8-51.60000109.2S540T500-S540 PolarHBondContact N-O 3.39Å; T500-S540 PolarHBondContact O-N 3.33Å; T500-S540 PolarHBondContact O-OG 3.41Å
501Y90Very high68.4Low34 Ų3474.7 Ų74.713%0.13340%0.398CS..EExtended strand (participates in β ladder)trans-72.3143.8173.1-76.3-86.4000110.3D536 L538 L539 T555 K560 V563Y501-D536 WeakPolarHBondContact CD1-O 3.19Å; Y501-L538 WeakPolarHBondContact CA-O 3.43Å; Y501-L538 WeakPolarHBondContact CD1-O 3.4Å; Y501-L539 HydrophobicContact CD1-CB 4.13Å; Y501-L539 HydrophobicContact CD1-CD1 4.05Å; Y501-L539 HydrophobicContact CD2-CD1 3.67Å; Y501-L539 HydrophobicContact CE1-CB 3.92Å; Y501-L539 HydrophobicContact CE1-CD1 4Å; Y501-L539 HydrophobicContact CE1-CG 4.43Å; Y501-L539 HydrophobicContact CE2-CD1 3.61Å; Y501-L539 HydrophobicContact CG-CD1 3.89Å; Y501-T555 WeakPolarHBondContact CE1-OG1 3.35Å; Y501-T555 PolarHBondContact OH-OG1 2.72Å; Y501-K560 HydrophobicContact CD1-CB 4.37Å; Y501-K560 HydrophobicContact CD1-CD 4.42Å; Y501-K560 HydrophobicContact CD1-CG 3.8Å; Y501-K560 HydrophobicContact CD2-CG 4.24Å; Y501-K560 HydrophobicContact CE1-CB 3.79Å; Y501-K560 HydrophobicContact CE1-CG 3.73Å; Y501-K560 HydrophobicContact CE2-CB 4.45Å; Y501-K560 HydrophobicContact CE2-CG 4.18Å; Y501-K560 HydrophobicContact CG-CG 4.06Å; Y501-K560 WeakPolarHBondContact OH-CA 3.47Å; Y501-V563 HydrophobicContact CE2-CB 3.9Å; Y501-V563 HydrophobicContact CE2-CG1 3.85Å
502I86.5Confident71Confident11 Ų1174.7 Ų74.76%0.05640%0.395CS..  trans-74.4139.6175.6-67.7169000109D507 L538 L552I502-D507 HydrophobicContact CG2-CB 3.32Å; I502-D507 WeakPolarHBondContact CG2-OD2 3.47Å; I502-L538 HydrophobicContact CB-CB 4.25Å; I502-L538 HydrophobicContact CD1-CB 3.68Å; I502-L538 HydrophobicContact CD1-CD1 4.39Å; I502-L538 HydrophobicContact CG1-CB 4.32Å; I502-L538 PolarHBondContact N-O 3.16Å; I502-L552 HydrophobicContact CD1-CD1 3.87Å; I502-L552 HydrophobicContact CD1-CD2 3.51Å; I502-L552 HydrophobicContact CD1-CG 4.23Å
503D81Confident73.8Confident78 Ų7865.8 Ų65.842%0.41736%0.362SS..  trans-84.6114.5165.4177.5-3.1000108.8I505 S506 D507D503-I505 PolarHBondContact O-N 3.27Å; D503-I505 PolarHBondContact OD1-N 2.89Å; D503-S506 WeakPolarHBondContact CB-OG 3.38Å; D503-S506 PolarHBondContact O-N 3.42Å; D503-S506 PolarHBondContact OD2-OG 3.49Å; D503-D507 VanDerWaalsContact O-CB 3.24Å; D503-D507 WeakPolarHBondContact O-CB 3.33Å; D503-D507 PolarHBondContact O-N 2.89Å
504S73.4Confident76.7Confident28 Ų2862.4 Ų62.420%0.19634%0.341CS..THydrogen-bonded Turntrans-63.5-19-177.457.70000114.2D536S504-D536 VanDerWaalsContact CB-OD1 3.32Å; S504-D536 WeakPolarHBondContact CB-OD1 3.32Å; S504-D536 PolarHBondContact OG-OD1 2.88Å
505I74.8Confident79.3Confident149 Ų14961.8 Ų61.876%0.76434%0.343SS*.THydrogen-bonded Turntrans-89.2-42.5179.4-57.1174000110.7D503D503-I505 PolarHBondContact O-N 3.27Å; D503-I505 PolarHBondContact OD1-N 2.89Å
506S74.9Confident82.1Confident84 Ų8455.2 Ų55.259%0.58731%0.311SS*.THydrogen-bonded Turntrans-92.7-24.7-172.377.30000114.8D503 P508D503-S506 WeakPolarHBondContact CB-OG 3.38Å; D503-S506 PolarHBondContact O-N 3.42Å; D503-S506 PolarHBondContact OD2-OG 3.49Å; S506-P508 WeakPolarHBondContact O-CD 3.42Å
507D81.1Confident84.2Confident39 Ų3952 Ų5221%0.20930%0.296CS..  trans-85.9115.2-171.2-166-40.4000112.1I502 D503 S509 W510I502-D507 HydrophobicContact CG2-CB 3.32Å; I502-D507 WeakPolarHBondContact CG2-OD2 3.47Å; D503-D507 VanDerWaalsContact O-CB 3.24Å; D503-D507 WeakPolarHBondContact O-CB 3.33Å; D503-D507 PolarHBondContact O-N 2.89Å; D507-S509 PolarHBondContact O-N 2.67Å; D507-S509 WeakPolarHBondContact OD1-CA 3.06Å; D507-S509 WeakPolarHBondContact OD1-CB 3.29Å; D507-S509 PolarHBondContact OD1-N 3.34Å; D507-S509 PolarHBondContact OD1-OG 2.88Å; D507-W510 PolarHBondContact O-N 2.97Å
508P84.5Confident85.8Confident88 Ų8853 Ų5357%0.57130%0.297SS*.Hα-helixtrans-66.4-19.7-179.428.3-35.5000113.4S506 W510 L511 T512S506-P508 WeakPolarHBondContact O-CD 3.42Å; P508-W510 VanDerWaalsContact C-N 3.34Å; P508-W510 PolarHBondContact O-N 3.45Å; P508-L511 PolarHBondContact O-N 2.86Å; P508-T512 PolarHBondContact O-N 3.49Å; P508-T512 VanDerWaalsContact O-N 3.17Å; P508-T512 PolarHBondContact O-OG1 3.37Å
509S86.8Confident86.7Confident22 Ų2251.3 Ų51.315%0.15428%0.277CS..Hα-helixtrans-63.4-41.1179.4-45.80000111.2D507 T512 I513 Y592D507-S509 PolarHBondContact O-N 2.67Å; D507-S509 WeakPolarHBondContact OD1-CA 3.06Å; D507-S509 WeakPolarHBondContact OD1-CB 3.29Å; D507-S509 PolarHBondContact OD1-N 3.34Å; D507-S509 PolarHBondContact OD1-OG 2.88Å; S509-T512 PolarHBondContact O-N 2.96Å; S509-I513 WeakPolarHBondContact O-CD1 3.37Å; S509-I513 VanDerWaalsContact O-CG1 3.31Å; S509-I513 WeakPolarHBondContact O-CG1 3.36Å; S509-I513 PolarHBondContact O-N 2.78Å; S509-I513 VanDerWaalsContact O-N 3.12Å; S509-Y592 PolarHBondContact OG-OH 3.22Å
510W90.1Very high86.7Confident2 Ų253.4 Ų53.41%0.00829%0.287CS..Hα-helixtrans-66-47.1179.2171.2-119.2000111.6D507 P508 T512 I513 R514 I519 D521 F533 P535 L538D507-W510 PolarHBondContact O-N 2.97Å; P508-W510 VanDerWaalsContact C-N 3.34Å; P508-W510 PolarHBondContact O-N 3.45Å; W510-T512 VanDerWaalsContact C-N 3.26Å; W510-T512 PolarHBondContact O-N 3.48Å; W510-I513 HydrophobicContact CE3-CB 4.2Å; W510-I513 HydrophobicContact CE3-CG2 4.13Å; W510-I513 HydrophobicContact CZ3-CB 4.39Å; W510-I513 HydrophobicContact CZ3-CG2 3.84Å; W510-I513 WeakPolarHBondContact O-CB 3.2Å; W510-I513 PolarHBondContact O-N 3.1Å; W510-R514 HydrophobicContact CD2-CB 4.32Å; W510-R514 HydrophobicContact CH2-CB 4.27Å; W510-R514 HydrophobicContact CZ2-CB 3.81Å; W510-R514 HydrophobicContact CZ2-CG 3.93Å; W510-R514 WeakPolarHBondContact O-CB 3.46Å; W510-R514 PolarHBondContact O-N 3.25Å; W510-I519 HydrophobicContact CH2-CB 4.21Å; W510-I519 HydrophobicContact CH2-CD1 4.06Å; W510-I519 HydrophobicContact CH2-CG2 3.94Å; W510-I519 HydrophobicContact CZ3-CD1 4.25Å; W510-D521 HydrophobicContact CZ2-CB 4.12Å; W510-D521 PolarHBondContact NE1-OD2 2.91Å; W510-D521 VanDerWaalsContact NE1-OD2 3.1Å; W510-F533 HydrophobicContact CE3-CE1 4.35Å; W510-F533 AromaticContact CH2-CD1 3.21Å; W510-F533 HydrophobicContact CH2-CD1 3.21Å; W510-F533 AromaticContact CH2-CE1 3.6Å; W510-F533 HydrophobicContact CH2-CE1 3.6Å; W510-F533 HydrophobicContact CH2-CG 4.08Å; W510-F533 AromaticContact CZ2-CD1 3.92Å; W510-F533 HydrophobicContact CZ2-CD1 3.92Å; W510-F533 AromaticContact CZ3-CD1 3.66Å; W510-F533 HydrophobicContact CZ3-CD1 3.66Å; W510-F533 AromaticContact CZ3-CE1 3.5Å; W510-F533 HydrophobicContact CZ3-CE1 3.5Å; W510-F533 VanDerWaalsContact CZ3-CE1 3.5Å; W510-F533 HydrophobicContact CZ3-CZ 4.46Å; W510-P535 HydrophobicContact CD2-CB 3.49Å; W510-P535 VanDerWaalsContact CD2-CB 3.49Å; W510-P535 HydrophobicContact CD2-CG 4.45Å; W510-P535 HydrophobicContact CE3-CB 4.06Å; W510-P535 HydrophobicContact CG-CB 3.8Å; W510-P535 HydrophobicContact CH2-CB 4.29Å; W510-P535 HydrophobicContact CZ2-CB 3.76Å; W510-P535 HydrophobicContact CZ2-CG 4.12Å; W510-P535 HydrophobicContact CZ3-CB 4.42Å; W510-L538 HydrophobicContact CD2-CD1 4.35Å; W510-L538 HydrophobicContact CE3-CD1 3.56Å; W510-L538 HydrophobicContact CZ3-CD1 4.05Å
511L89.4Confident86.3Confident66 Ų6650 Ų5035%0.34627%0.266SS..Hα-helixtrans-56.6-44178.8-62.6175.7000111.2P508 I513 R514 D515P508-L511 PolarHBondContact O-N 2.86Å; L511-I513 PolarHBondContact O-N 3.11Å; L511-R514 PolarHBondContact O-N 3.32Å; L511-D515 WeakPolarHBondContact O-CB 3.26Å; L511-D515 PolarHBondContact O-N 2.72Å
512T90.7Very high85.4Confident64 Ų6456 Ų5639%0.39329%0.292SS..Hα-helixtrans-59.1-44.9176-54.30000111.9P508 S509 W510 Y516P508-T512 PolarHBondContact O-N 3.49Å; P508-T512 VanDerWaalsContact O-N 3.17Å; P508-T512 PolarHBondContact O-OG1 3.37Å; S509-T512 PolarHBondContact O-N 2.96Å; W510-T512 VanDerWaalsContact C-N 3.26Å; W510-T512 PolarHBondContact O-N 3.48Å; T512-Y516 WeakPolarHBondContact O-CB 3.32Å; T512-Y516 PolarHBondContact O-N 3.28Å; T512-Y516 VanDerWaalsContact O-N 3.14Å
513I93.4Very high84.5Confident2 Ų259.6 Ų59.61%0.0132%0.318CS..Hα-helixtrans-66-50.4178.1-70.5162.2000111S509 W510 L511 D515 Y516 Y517 I519 L552 F581 Y592S509-I513 WeakPolarHBondContact O-CD1 3.37Å; S509-I513 VanDerWaalsContact O-CG1 3.31Å; S509-I513 WeakPolarHBondContact O-CG1 3.36Å; S509-I513 PolarHBondContact O-N 2.78Å; S509-I513 VanDerWaalsContact O-N 3.12Å; W510-I513 HydrophobicContact CE3-CB 4.2Å; W510-I513 HydrophobicContact CE3-CG2 4.13Å; W510-I513 HydrophobicContact CZ3-CB 4.39Å; W510-I513 HydrophobicContact CZ3-CG2 3.84Å; W510-I513 WeakPolarHBondContact O-CB 3.2Å; W510-I513 PolarHBondContact O-N 3.1Å; L511-I513 PolarHBondContact O-N 3.11Å; I513-D515 PolarHBondContact O-N 3.3Å; I513-Y516 PolarHBondContact O-N 2.82Å; I513-Y517 HydrophobicContact CG2-CD2 4.11Å; I513-Y517 WeakPolarHBondContact O-CD2 3.31Å; I513-Y517 PolarHBondContact O-N 2.93Å; I513-I519 HydrophobicContact CG2-CD1 4.03Å; I513-L552 HydrophobicContact CD1-CD1 3.56Å; I513-F581 HydrophobicContact CD1-CB 4.44Å; I513-F581 HydrophobicContact CD1-CD2 4Å; I513-F581 HydrophobicContact CD1-CE2 4.47Å; I513-F581 HydrophobicContact CD1-CG 4.11Å; I513-F581 HydrophobicContact CG2-CD1 4.26Å; I513-F581 HydrophobicContact CG2-CD2 4.37Å; I513-F581 HydrophobicContact CG2-CE1 3.7Å; I513-F581 HydrophobicContact CG2-CE2 3.87Å; I513-F581 HydrophobicContact CG2-CZ 3.51Å; I513-Y592 HydrophobicContact CD1-CD1 4.14Å; I513-Y592 HydrophobicContact CD1-CD2 3.87Å; I513-Y592 HydrophobicContact CD1-CE2 4.48Å; I513-Y592 HydrophobicContact CD1-CG 3.7Å; I513-Y592 HydrophobicContact CG1-CD2 3.75Å; I513-Y592 HydrophobicContact CG1-CG 3.75Å
514R91.7Very high83.6Confident53 Ų5358.9 Ų58.920%0.232%0.319CS..Hα-helixtrans-56.2-51.9-177-176.6-16367.8-170-5.6110.6W510 L511 K518 I519 D521 S523W510-R514 HydrophobicContact CD2-CB 4.32Å; W510-R514 HydrophobicContact CH2-CB 4.27Å; W510-R514 HydrophobicContact CZ2-CB 3.81Å; W510-R514 HydrophobicContact CZ2-CG 3.93Å; W510-R514 WeakPolarHBondContact O-CB 3.46Å; W510-R514 PolarHBondContact O-N 3.25Å; L511-R514 PolarHBondContact O-N 3.32Å; R514-K518 CarbonylContact O-C 3.51Å; R514-K518 VanDerWaalsContact O-CA 3.23Å; R514-K518 WeakPolarHBondContact O-CA 3.33Å; R514-K518 PolarHBondContact O-N 3.05Å; R514-I519 WeakPolarHBondContact CG-O 3.49Å; R514-I519 PolarHBondContact O-N 2.83Å; R514-D521 WeakPolarHBondContact CD-OD2 3.37Å; R514-S523 PolarHBondContact NH1-OG 2.85Å
515D91.6Very high82.8Confident98 Ų9858.9 Ų58.952%0.52432%0.319SS..Hα-helixtrans-70.2-39.9-175.5-63.4-12.2000110.8L511 I513 K518L511-D515 WeakPolarHBondContact O-CB 3.26Å; L511-D515 PolarHBondContact O-N 2.72Å; I513-D515 PolarHBondContact O-N 3.3Å; D515-K518 PolarHBondContact O-N 3.19Å
516Y94.1Very high81.9Confident38 Ų3860.3 Ų60.315%0.14933%0.328CS..Hα-helixtrans-64-42.9178.7-177.6-87.6000113.2T512 I513 F589 R612 P653T512-Y516 WeakPolarHBondContact O-CB 3.32Å; T512-Y516 PolarHBondContact O-N 3.28Å; T512-Y516 VanDerWaalsContact O-N 3.14Å; I513-Y516 PolarHBondContact O-N 2.82Å; Y516-F589 AromaticContact CD2-CE2 3.66Å; Y516-F589 HydrophobicContact CD2-CE2 3.66Å; Y516-F589 HydrophobicContact CD2-CZ 4.21Å; Y516-F589 HydrophobicContact CE1-CZ 4.49Å; Y516-F589 AromaticContact CE2-CD2 3.82Å; Y516-F589 HydrophobicContact CE2-CD2 3.82Å; Y516-F589 AromaticContact CE2-CE2 3.07Å; Y516-F589 HydrophobicContact CE2-CE2 3.07Å; Y516-F589 AromaticContact CE2-CZ 3.76Å; Y516-F589 HydrophobicContact CE2-CZ 3.76Å; Y516-F589 AromaticContact CZ-CE2 3.61Å; Y516-F589 AromaticContact CZ-CZ 3.94Å; Y516-R612 HydrophobicContact CD1-CG 4.03Å; Y516-R612 HydrophobicContact CE1-CG 3.74Å; Y516-R612 WeakPolarHBondContact O-CG 3.4Å; Y516-R612 PolarHBondContact OH-NE 2.87Å; Y516-R612 VanDerWaalsContact OH-NE 3.14Å; Y516-R612 PolarHBondContact OH-NH1 3.22Å; Y516-R612 PolarHBondContact OH-NH2 2.93Å; Y516-P653 HydrophobicContact CE1-CB 4.19Å; Y516-P653 WeakPolarHBondContact OH-CD 3.38Å; Y516-P653 PolarHBondContact OH-O 3.35Å
517Y94.4Very high80.9Confident1 Ų159.7 Ų59.70%0.00434%0.336CS..Hα-helixtrans-94.6-3.6-179-72.6-70.7000113.8I513 I519 F581 Y592 V594 I606 S610 R612 P653 L655I513-Y517 HydrophobicContact CG2-CD2 4.11Å; I513-Y517 WeakPolarHBondContact O-CD2 3.31Å; I513-Y517 PolarHBondContact O-N 2.93Å; Y517-I519 VanDerWaalsContact C-N 3.3Å; Y517-I519 PolarHBondContact O-N 2.8Å; Y517-F581 HydrophobicContact CD2-CE1 4.24Å; Y517-F581 HydrophobicContact CE2-CD1 4.45Å; Y517-F581 HydrophobicContact CE2-CE1 4.05Å; Y517-Y592 PolarHBondContact OH-O 3.46Å; Y517-V594 HydrophobicContact CE1-CG2 4.01Å; Y517-V594 HydrophobicContact CE2-CG2 4.04Å; Y517-V594 PolarHBondContact OH-N 3.46Å; Y517-I606 HydrophobicContact CD1-CD1 3.9Å; Y517-I606 HydrophobicContact CE1-CD1 4.45Å; Y517-I606 HydrophobicContact CG-CD1 4.1Å; Y517-S610 WeakPolarHBondContact O-CB 3.44Å; Y517-S610 PolarHBondContact O-OG 3.13Å; Y517-R612 HydrophobicContact CD1-CB 3.88Å; Y517-R612 HydrophobicContact CD1-CG 4.19Å; Y517-R612 HydrophobicContact CE1-CB 4.17Å; Y517-P653 WeakPolarHBondContact OH-CB 3.38Å; Y517-L655 HydrophobicContact CD1-CD1 4.23Å; Y517-L655 HydrophobicContact CE1-CD1 3.9Å
518K91.6Very high79.4Confident99 Ų9964.1 Ų64.143%0.4336%0.355SS..THydrogen-bonded Turntrans56.739.7-174.2-54-177.3-176.3172.40112.8R514 D515 P607 D611R514-K518 CarbonylContact O-C 3.51Å; R514-K518 VanDerWaalsContact O-CA 3.23Å; R514-K518 WeakPolarHBondContact O-CA 3.33Å; R514-K518 PolarHBondContact O-N 3.05Å; D515-K518 PolarHBondContact O-N 3.19Å; K518-P607 VanDerWaalsContact O-CD 3.26Å; K518-P607 WeakPolarHBondContact O-CD 3.31Å; K518-P607 VanDerWaalsContact O-CG 3.25Å; K518-P607 WeakPolarHBondContact O-CG 3.34Å; K518-D611 WeakPolarHBondContact CE-OD1 3.47Å; K518-D611 VanDerWaalsContact CE-OD2 3.22Å; K518-D611 WeakPolarHBondContact CE-OD2 3.19Å; K518-D611 IonicContact NZ-OD1 3.28Å; K518-D611 PolarHBondContact NZ-OD1 2.98Å; K518-D611 IonicContact NZ-OD2 3.24Å; K518-D611 PolarHBondContact NZ-OD2 3.35Å
519I89.9Confident77.7Confident7 Ų766.3 Ų66.34%0.03637%0.372CS..  trans-71130.6-178.6-60172.2000109.4W510 I513 R514 Y517 F533 F581 I606W510-I519 HydrophobicContact CH2-CB 4.21Å; W510-I519 HydrophobicContact CH2-CD1 4.06Å; W510-I519 HydrophobicContact CH2-CG2 3.94Å; W510-I519 HydrophobicContact CZ3-CD1 4.25Å; I513-I519 HydrophobicContact CG2-CD1 4.03Å; R514-I519 WeakPolarHBondContact CG-O 3.49Å; R514-I519 PolarHBondContact O-N 2.83Å; Y517-I519 VanDerWaalsContact C-N 3.3Å; Y517-I519 PolarHBondContact O-N 2.8Å; I519-F533 HydrophobicContact CG2-CB 3.56Å; I519-F533 HydrophobicContact CG2-CG 4.1Å; I519-F581 HydrophobicContact CD1-CZ 4.22Å; I519-I606 HydrophobicContact CD1-CG1 4.11Å; I519-I606 HydrophobicContact CG1-CG1 3.92Å
520K84.1Confident76.2Confident81 Ų8167.6 Ų67.635%0.35238%0.381SS..  trans-78.9125.6171.9-66.5-173.6178.1-172.40110S524 L532 F533 P607K520-S524 WeakPolarHBondContact CA-OG 3.42Å; K520-L532 HydrophobicContact CB-CD2 4.33Å; K520-F533 PolarHBondContact O-N 3.17Å; K520-P607 HydrophobicContact CG-CG 4.36Å
521D78.3Confident75.2Confident7 Ų771.3 Ų71.34%0.03740%0.401CS..  trans-127.8179.9172.870.815.2000111.2W510 R514 S523 S524W510-D521 HydrophobicContact CZ2-CB 4.12Å; W510-D521 PolarHBondContact NE1-OD2 2.91Å; W510-D521 VanDerWaalsContact NE1-OD2 3.1Å; R514-D521 WeakPolarHBondContact CD-OD2 3.37Å; D521-S523 PolarHBondContact O-N 3.06Å; D521-S523 VanDerWaalsContact O-N 3.12Å; D521-S523 WeakPolarHBondContact OD1-CA 3.43Å; D521-S523 WeakPolarHBondContact OD1-CB 2.92Å; D521-S523 PolarHBondContact OD1-N 3.03Å; D521-S523 PolarHBondContact OD1-OG 2.88Å; D521-S524 PolarHBondContact N-OG 3.14Å; D521-S524 PolarHBondContact O-N 3.41Å; D521-S524 PolarHBondContact O-OG 2.88Å; D521-S524 PolarHBondContact OD1-N 2.83Å
522K70.3Confident74.6Confident158 Ų15870.9 Ų70.969%0.68740%0.398SS*.THydrogen-bonded Turntrans-55.7-28.2179-68.4-178.1-179.6176.20113.9S524 L532K522-S524 VanDerWaalsContact C-N 3.28Å; K522-S524 PolarHBondContact O-N 2.83Å; K522-L532 HydrophobicContact CG-CD1 4.14Å
523S67.3Low74.4Confident87 Ų8768 Ų6861%0.60838%0.38SS*.THydrogen-bonded Turntrans-74.1-22.2179.374.70000112.8R514 D521R514-S523 PolarHBondContact NH1-OG 2.85Å; D521-S523 PolarHBondContact O-N 3.06Å; D521-S523 VanDerWaalsContact O-N 3.12Å; D521-S523 WeakPolarHBondContact OD1-CA 3.43Å; D521-S523 WeakPolarHBondContact OD1-CB 2.92Å; D521-S523 PolarHBondContact OD1-N 3.03Å; D521-S523 PolarHBondContact OD1-OG 2.88Å
524S62.3Low74.2Confident63 Ų6368.9 Ų68.944%0.44139%0.387SS..THydrogen-bonded Turntrans-95.9-7.1-174.865.90000115.2K520 D521 K522K520-S524 WeakPolarHBondContact CA-OG 3.42Å; D521-S524 PolarHBondContact N-OG 3.14Å; D521-S524 PolarHBondContact O-N 3.41Å; D521-S524 PolarHBondContact O-OG 2.88Å; D521-S524 PolarHBondContact OD1-N 2.83Å; K522-S524 VanDerWaalsContact C-N 3.28Å; K522-S524 PolarHBondContact O-N 2.83Å
525C58.3Low74Confident29 Ų2967 Ų6720%0.19638%0.381CS..  trans-117.1118.8-167.9-67.50000113.9G527 L532C525-G527 PolarHBondContact O-N 2.98Å; C525-L532 HydrophobicContact CB-CD2 4.15Å; C525-L532 WeakPolarHBondContact SG-CD2 3.13Å
526N55.9Low74Confident178 Ų17864.5 Ų64.595%0.95237%0.368SS*.SBendtrans-8436.1174.3-71.7-13.3000113.6
527G52.5Low74Confident72 Ų7262.8 Ų62.874%0.74236%0.361SS*.SBendtrans95.916.7176.700000116.8C525C525-G527 PolarHBondContact O-N 2.98Å
528E49.4Very low73.9Confident131 Ų13162.8 Ų62.861%0.61236%0.361SS*.  trans-76.6135.2168.3-73.2-177.1169.100111.7S530E528-S530 PolarHBondContact O-N 3.26Å
529S49.7Very low74Confident134 Ų13458 Ų5894%0.93734%0.341SS*.  trans-70.535178.9-50.80000115
530S56Low73.9Confident49 Ų4958.7 Ų58.734%0.34335%0.346SS..PPolyproline II helixtrans-76.6151174.5-640000110.9E528 L532E528-S530 PolarHBondContact O-N 3.26Å; S530-L532 PolarHBondContact O-N 3.33Å
531I67.4Low73.8Confident81 Ų8158.3 Ų58.342%0.41534%0.342SS..PPolyproline II helixtrans-66117171.9-58.5-135.7000108.8P196 Y605P196-I531 HydrophobicContact CB-CD1 4.5Å; P196-I531 HydrophobicContact CG-CB 4.29Å; P196-I531 HydrophobicContact CG-CD1 3.14Å; P196-I531 HydrophobicContact CG-CG1 3.6Å; I531-Y605 HydrophobicContact CG2-CD1 3.79Å; I531-Y605 HydrophobicContact CG2-CE1 3.35Å
532L78.1Confident73.4Confident57 Ų5760.4 Ų60.430%0.29836%0.357SS..PPolyproline II helixtrans-99135.1-177.1-59.9177.7000111.1K520 K522 C525 S530 Y605K520-L532 HydrophobicContact CB-CD2 4.33Å; K522-L532 HydrophobicContact CG-CD1 4.14Å; C525-L532 HydrophobicContact CB-CD2 4.15Å; C525-L532 WeakPolarHBondContact SG-CD2 3.13Å; S530-L532 PolarHBondContact O-N 3.33Å; L532-Y605 VanDerWaalsContact O-CE1 3.31Å; L532-Y605 WeakPolarHBondContact O-CE1 3.44Å
533F86Confident72.6Confident3 Ų355.7 Ų55.71%0.01334%0.344CS..PPolyproline II helixtrans-67.6136.7167.7-168.3-99.3000109.7W510 I519 K520 P535 L538 Y554 I580 F581 Y605W510-F533 HydrophobicContact CE3-CE1 4.35Å; W510-F533 AromaticContact CH2-CD1 3.21Å; W510-F533 HydrophobicContact CH2-CD1 3.21Å; W510-F533 AromaticContact CH2-CE1 3.6Å; W510-F533 HydrophobicContact CH2-CE1 3.6Å; W510-F533 HydrophobicContact CH2-CG 4.08Å; W510-F533 AromaticContact CZ2-CD1 3.92Å; W510-F533 HydrophobicContact CZ2-CD1 3.92Å; W510-F533 AromaticContact CZ3-CD1 3.66Å; W510-F533 HydrophobicContact CZ3-CD1 3.66Å; W510-F533 AromaticContact CZ3-CE1 3.5Å; W510-F533 HydrophobicContact CZ3-CE1 3.5Å; W510-F533 VanDerWaalsContact CZ3-CE1 3.5Å; W510-F533 HydrophobicContact CZ3-CZ 4.46Å; I519-F533 HydrophobicContact CG2-CB 3.56Å; I519-F533 HydrophobicContact CG2-CG 4.1Å; K520-F533 PolarHBondContact O-N 3.17Å; F533-P535 HydrophobicContact CD1-CB 4.37Å; F533-P535 HydrophobicContact CE1-CB 4.47Å; F533-P535 WeakPolarHBondContact O-CD 3.26Å; F533-L538 HydrophobicContact CE1-CD1 4.06Å; F533-L538 HydrophobicContact CE1-CD2 4.21Å; F533-L538 HydrophobicContact CE1-CG 4.02Å; F533-L538 HydrophobicContact CZ-CD2 3.92Å; F533-L538 HydrophobicContact CZ-CG 4.21Å; F533-Y554 HydrophobicContact CD2-CE2 4.39Å; F533-Y554 HydrophobicContact CE1-CD2 4.4Å; F533-Y554 HydrophobicContact CE1-CE2 4.36Å; F533-Y554 AromaticContact CE2-CD2 3.85Å; F533-Y554 HydrophobicContact CE2-CD2 3.85Å; F533-Y554 AromaticContact CE2-CE2 3.73Å; F533-Y554 HydrophobicContact CE2-CE2 3.73Å; F533-Y554 AromaticContact CZ-CD2 3.55Å; F533-Y554 HydrophobicContact CZ-CD2 3.55Å; F533-Y554 AromaticContact CZ-CE2 3.71Å; F533-Y554 HydrophobicContact CZ-CE2 3.71Å; F533-Y554 HydrophobicContact CZ-CG 4.44Å; F533-I580 HydrophobicContact CE2-CD1 4.02Å; F533-I580 HydrophobicContact CZ-CD1 4.32Å; F533-F581 HydrophobicContact CZ-CE2 4.48Å; F533-Y605 HydrophobicContact CB-CD1 3.97Å; F533-Y605 HydrophobicContact CB-CG 4.07Å; F533-Y605 HydrophobicContact CD2-CD1 4.13Å; F533-Y605 AromaticContact CD2-CD2 3.53Å; F533-Y605 HydrophobicContact CD2-CD2 3.53Å; F533-Y605 HydrophobicContact CD2-CE2 4.17Å; F533-Y605 AromaticContact CD2-CG 3.55Å; F533-Y605 HydrophobicContact CD2-CG 3.55Å; F533-Y605 HydrophobicContact CE2-CD2 4.1Å; F533-Y605 HydrophobicContact CG-CG 4.3Å
534C88.6Confident72Confident21 Ų2153.9 Ų53.914%0.14234%0.339CS..  trans-100.192.3175.5-168.10000109.7D536 N537C534-D536 PolarHBondContact O-N 3.11Å; C534-N537 HydrophobicContact CB-CB 4.37Å; C534-N537 WeakPolarHBondContact O-CB 3.23Å; C534-N537 PolarHBondContact O-N 3.29Å
535P89.2Confident71.2Confident12 Ų1260.4 Ų60.48%0.07836%0.363CS..G310 helixtrans-63.4-28.6-176.625-35.4000113.9W510 F533 N537 L538W510-P535 HydrophobicContact CD2-CB 3.49Å; W510-P535 VanDerWaalsContact CD2-CB 3.49Å; W510-P535 HydrophobicContact CD2-CG 4.45Å; W510-P535 HydrophobicContact CE3-CB 4.06Å; W510-P535 HydrophobicContact CG-CB 3.8Å; W510-P535 HydrophobicContact CH2-CB 4.29Å; W510-P535 HydrophobicContact CZ2-CB 3.76Å; W510-P535 HydrophobicContact CZ2-CG 4.12Å; W510-P535 HydrophobicContact CZ3-CB 4.42Å; F533-P535 HydrophobicContact CD1-CB 4.37Å; F533-P535 HydrophobicContact CE1-CB 4.47Å; F533-P535 WeakPolarHBondContact O-CD 3.26Å; P535-N537 PolarHBondContact O-N 3.06Å; P535-N537 VanDerWaalsContact O-N 3.1Å; P535-L538 WeakPolarHBondContact O-CB 2.99Å; P535-L538 WeakPolarHBondContact O-CG 3.48Å; P535-L538 PolarHBondContact O-N 3.28Å
536D90.2Very high71Confident47 Ų4763 Ų6325%0.25140%0.395SS..G310 helixtrans-53-22.8169.4-99.827.6000114.9Y501 S504 C534 L538 K560Y501-D536 WeakPolarHBondContact CD1-O 3.19Å; S504-D536 VanDerWaalsContact CB-OD1 3.32Å; S504-D536 WeakPolarHBondContact CB-OD1 3.32Å; S504-D536 PolarHBondContact OG-OD1 2.88Å; C534-D536 PolarHBondContact O-N 3.11Å; D536-L538 VanDerWaalsContact C-N 3.32Å; D536-K560 HydrophobicContact CB-CD 4.48Å; D536-K560 VanDerWaalsContact CB-NZ 3.26Å; D536-K560 VanDerWaalsContact CG-NZ 3.27Å; D536-K560 WeakPolarHBondContact O-CD 3.43Å; D536-K560 WeakPolarHBondContact O-CE 3.41Å; D536-K560 PolarHBondContact O-NZ 3.06Å; D536-K560 IonicContact OD2-NZ 3.6Å; D536-K560 PolarHBondContact OD2-NZ 2.73Å
537N93.7Very high71.2Confident2 Ų260.5 Ų60.51%0.01138%0.381CS..G310 helixtrans-89.5-0.1176.9-67.9-5.7000112.8C534 P535 Y554 T555 S557 K560C534-N537 HydrophobicContact CB-CB 4.37Å; C534-N537 WeakPolarHBondContact O-CB 3.23Å; C534-N537 PolarHBondContact O-N 3.29Å; P535-N537 PolarHBondContact O-N 3.06Å; P535-N537 VanDerWaalsContact O-N 3.1Å; N537-Y554 HydrophobicContact CB-CD2 3.96Å; N537-Y554 HydrophobicContact CB-CE2 3.59Å; N537-T555 WeakPolarHBondContact CB-O 3.49Å; N537-T555 PolarHBondContact ND2-O 2.92Å; N537-T555 PolarHBondContact O-N 3.16Å; N537-S557 PolarHBondContact ND2-N 3.41Å; N537-S557 PolarHBondContact ND2-OG 3.45Å; N537-K560 WeakPolarHBondContact OD1-CD 3.3Å
538L94.2Very high71.7Confident0 Ų061.2 Ų61.20%036%0.361CS..EExtended strand (participates in β ladder)trans-72.2133.9172-69171.2000110.3Y501 I502 W510 F533 P535 D536 L552 Y553 Y554 I580 F581Y501-L538 WeakPolarHBondContact CA-O 3.43Å; Y501-L538 WeakPolarHBondContact CD1-O 3.4Å; I502-L538 HydrophobicContact CB-CB 4.25Å; I502-L538 HydrophobicContact CD1-CB 3.68Å; I502-L538 HydrophobicContact CD1-CD1 4.39Å; I502-L538 HydrophobicContact CG1-CB 4.32Å; I502-L538 PolarHBondContact N-O 3.16Å; W510-L538 HydrophobicContact CD2-CD1 4.35Å; W510-L538 HydrophobicContact CE3-CD1 3.56Å; W510-L538 HydrophobicContact CZ3-CD1 4.05Å; F533-L538 HydrophobicContact CE1-CD1 4.06Å; F533-L538 HydrophobicContact CE1-CD2 4.21Å; F533-L538 HydrophobicContact CE1-CG 4.02Å; F533-L538 HydrophobicContact CZ-CD2 3.92Å; F533-L538 HydrophobicContact CZ-CG 4.21Å; P535-L538 WeakPolarHBondContact O-CB 2.99Å; P535-L538 WeakPolarHBondContact O-CG 3.48Å; P535-L538 PolarHBondContact O-N 3.28Å; D536-L538 VanDerWaalsContact C-N 3.32Å; L538-L552 HydrophobicContact CD2-CB 4.37Å; L538-Y553 CarbonylContact C-O 3.56Å; L538-Y553 VanDerWaalsContact CA-O 3.31Å; L538-Y553 WeakPolarHBondContact CA-O 3.5Å; L538-Y554 HydrophobicContact CD2-CD2 4.25Å; L538-I580 HydrophobicContact CD2-CG2 3.84Å; L538-F581 HydrophobicContact CD2-CD2 4.27Å; L538-F581 HydrophobicContact CD2-CE2 4.32Å
539L91.9Very high72.8Confident0 Ų056.3 Ų56.30%034%0.342CS..EExtended strand (participates in β ladder)trans-128.3129.5-17118069.8000109.6F499 Y501 Y553 T555 T576F499-L539 HydrophobicContact CB-CD1 3.59Å; F499-L539 HydrophobicContact CB-CD2 4.05Å; F499-L539 HydrophobicContact CB-CG 4.15Å; F499-L539 HydrophobicContact CD1-CD1 4.28Å; F499-L539 HydrophobicContact CD1-CD2 3.41Å; F499-L539 VanDerWaalsContact CD1-CD2 3.41Å; F499-L539 HydrophobicContact CD1-CG 3.88Å; F499-L539 HydrophobicContact CE1-CD2 4.13Å; F499-L539 HydrophobicContact CG-CD1 4.38Å; F499-L539 HydrophobicContact CG-CD2 3.97Å; F499-L539 HydrophobicContact CG-CG 4.45Å; Y501-L539 HydrophobicContact CD1-CB 4.13Å; Y501-L539 HydrophobicContact CD1-CD1 4.05Å; Y501-L539 HydrophobicContact CD2-CD1 3.67Å; Y501-L539 HydrophobicContact CE1-CB 3.92Å; Y501-L539 HydrophobicContact CE1-CD1 4Å; Y501-L539 HydrophobicContact CE1-CG 4.43Å; Y501-L539 HydrophobicContact CE2-CD1 3.61Å; Y501-L539 HydrophobicContact CG-CD1 3.89Å; L539-Y553 PolarHBondContact N-O 3.23Å; L539-Y553 WeakPolarHBondContact O-CA 3.08Å; L539-Y553 WeakPolarHBondContact O-CB 3.22Å; L539-Y553 PolarHBondContact O-N 3.09Å; L539-T555 HydrophobicContact CD2-CG2 4.21Å; L539-T576 HydrophobicContact CD2-CG2 3.65Å
540S88.6Confident74.5Confident21 Ų2158.1 Ų58.115%0.14733%0.328CS..EExtended strand (participates in β ladder)trans-105.6149.4171.266.10000110.1T500 C549T500-S540 PolarHBondContact N-O 3.39Å; T500-S540 PolarHBondContact O-N 3.33Å; T500-S540 PolarHBondContact O-OG 3.41Å; S540-C549 WeakPolarHBondContact CB-SG 3.39Å
541R83Confident76.2Confident72 Ų7257.9 Ų57.927%0.27232%0.321SS..EExtended strand (participates in β ladder)trans-95.9120.9163.5-162.7173-172.5171.52.8107.1E496 N497 S543E496-R541 IonicContact OE2-CZ 2.86Å; E496-R541 IonicContact OE2-NH2 3.89Å; E496-R541 PolarHBondContact OE2-NH2 2.92Å; N497-R541 HydrophobicContact CB-CG 4.11Å; N497-R541 WeakPolarHBondContact O-CG 3.34Å; N497-R541 PolarHBondContact O-NE 2.84Å; R541-S543 PolarHBondContact O-N 3.4Å; R541-S543 PolarHBondContact O-OG 2.79Å
542S69.6Low77.4Confident51 Ų5154.1 Ų54.136%0.35730%0.301SS..  trans-51.1139.2177.9176.60000109.3N497 G498N497-S542 WeakPolarHBondContact CB-O 3.28Å; N497-S542 PolarHBondContact ND2-O 3.32Å; G498-S542 PolarHBondContact O-N 2.95Å
543S53.5Low78.2Confident59 Ų5952.5 Ų52.541%0.41329%0.292SS..  trans-132.359.1-179.9-67.60000108.7R541R541-S543 PolarHBondContact O-N 3.4Å; R541-S543 PolarHBondContact O-OG 2.79Å
544G54Low78.7Confident49 Ų4952.4 Ų52.451%0.50529%0.291SS..SBendtrans65.3164-171.400000112.6
545E45.8Very low79Confident200 Ų20051.4 Ų51.494%0.93528%0.284SS*.THydrogen-bonded Turntrans-66.6130.8177.5-69.8173167.900110.5
546G54.7Low79.3Confident84 Ų8450.9 Ų50.987%0.86628%0.281SS*.THydrogen-bonded Turntrans94.7-11.116600000118.1
547N59Low79.5Confident125 Ų12551.7 Ų51.767%0.66829%0.29SS*.  trans-87.6133.1177.7-76.7-30.8000112.1C549N547-C549 PolarHBondContact O-N 3.49Å
548R63.8Low79.6Confident87 Ų8753.3 Ų53.333%0.32830%0.299SS..  trans-49.7134170.3-172.3179-174.3166.88.4109.8R550 S583 E585 E590R548-R550 PolarHBondContact O-N 3.39Å; R548-S583 WeakPolarHBondContact CD-OG 3.39Å; R548-S583 PolarHBondContact NE-OG 3.2Å; R548-E585 IonicContact NH1-OE1 2.62Å; R548-E590 IonicContact CZ-OE1 3.87Å; R548-E590 IonicContact NH1-OE1 2.68Å; R548-E590 PolarHBondContact NH1-OE1 2.81Å
549C72.1Confident79.7Confident29 Ų2953.3 Ų53.320%0.19630%0.299CS..  trans-65113.9-179.2-1700000110.5S540 N547 F551 L552S540-C549 WeakPolarHBondContact CB-SG 3.39Å; N547-C549 PolarHBondContact O-N 3.49Å; C549-F551 VanDerWaalsContact C-N 3.34Å; C549-F551 PolarHBondContact O-N 2.81Å; C549-F551 PolarHBondContact SG-O 3.03Å; C549-L552 HydrophobicContact CB-CD2 4.15Å
550R85.6Confident79.9Confident171 Ų17155.7 Ų55.765%0.64531%0.309SS*.SBendtrans-64.3-36.9-177.9-174.3177.1177178.92112.8R548 S582 S583R548-R550 PolarHBondContact O-N 3.39Å; R550-S582 CarbonylContact O-C 3.53Å; R550-S582 VanDerWaalsContact O-CA 3.3Å; R550-S582 WeakPolarHBondContact O-CA 3.32Å; R550-S582 PolarHBondContact O-OG 2.72Å; R550-S583 PolarHBondContact O-N 2.98Å
551F91.2Very high80.1Confident45 Ų4557 Ų5720%0.19731%0.314CS..EExtended strand (participates in β ladder)trans-136.2129.5-174.9-62.2-65000111.2C549 Y553 F581 S582 L595C549-F551 VanDerWaalsContact C-N 3.34Å; C549-F551 PolarHBondContact O-N 2.81Å; C549-F551 PolarHBondContact SG-O 3.03Å; F551-Y553 HydrophobicContact CB-CD2 4.46Å; F551-Y553 HydrophobicContact CB-CE2 3.92Å; F551-F581 WeakPolarHBondContact CA-O 3.33Å; F551-S582 WeakPolarHBondContact CE1-OG 3.35Å; F551-L595 HydrophobicContact CD1-CD1 3.85Å; F551-L595 HydrophobicContact CE1-CD1 4.14Å
552L93.6Very high80.7Confident1 Ų153.5 Ų53.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-100127.5168.1-53.1-176000109.3I502 I513 L538 C549 I580 F581 Y592I502-L552 HydrophobicContact CD1-CD1 3.87Å; I502-L552 HydrophobicContact CD1-CD2 3.51Å; I502-L552 HydrophobicContact CD1-CG 4.23Å; I513-L552 HydrophobicContact CD1-CD1 3.56Å; L538-L552 HydrophobicContact CD2-CB 4.37Å; C549-L552 HydrophobicContact CB-CD2 4.15Å; L552-I580 WeakPolarHBondContact O-CG2 3.31Å; L552-I580 PolarHBondContact O-N 2.75Å; L552-F581 HydrophobicContact CB-CB 4.15Å; L552-F581 HydrophobicContact CB-CD2 4.45Å; L552-F581 HydrophobicContact CD1-CB 4.4Å; L552-F581 HydrophobicContact CD1-CD2 4.46Å; L552-F581 HydrophobicContact CG-CB 4.44Å; L552-F581 PolarHBondContact N-O 3.45Å; L552-F581 PolarHBondContact O-N 2.8Å; L552-Y592 HydrophobicContact CD1-CD1 4.25Å; L552-Y592 HydrophobicContact CD1-CE1 4.03Å; L552-Y592 HydrophobicContact CG-CD1 4.43Å; L552-Y592 HydrophobicContact CG-CE1 4.06Å
553Y94.4Very high81.8Confident24 Ų2451.5 Ų51.59%0.09429%0.287CS..EExtended strand (participates in β ladder)trans-97.4159.8173.4-64.8-109.1000109.2L538 L539 F551 V578 R579L538-Y553 CarbonylContact C-O 3.56Å; L538-Y553 VanDerWaalsContact CA-O 3.31Å; L538-Y553 WeakPolarHBondContact CA-O 3.5Å; L539-Y553 PolarHBondContact N-O 3.23Å; L539-Y553 WeakPolarHBondContact O-CA 3.08Å; L539-Y553 WeakPolarHBondContact O-CB 3.22Å; L539-Y553 PolarHBondContact O-N 3.09Å; F551-Y553 HydrophobicContact CB-CD2 4.46Å; F551-Y553 HydrophobicContact CB-CE2 3.92Å; Y553-V578 CarbonylContact C-O 3.5Å; Y553-V578 WeakPolarHBondContact CA-O 3.38Å; Y553-R579 HydrophobicContact CD1-CG 3.67Å; Y553-R579 HydrophobicContact CE1-CG 3.28Å; Y553-R579 HydrophobicContact CE2-CG 4.16Å; Y553-R579 HydrophobicContact CG-CG 4.28Å; Y553-R579 PolarHBondContact OH-NE 2.93Å; Y553-R579 PolarHBondContact OH-NH2 2.68Å
554Y95.2Very high83.6Confident1 Ų151.2 Ų51.20%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-131.1134.7175.6178.9-96.3000109.4E200 P228 F533 N537 L538 G577 V578 V601E200-Y554 WeakPolarHBondContact OE2-CE1 3.49Å; E200-Y554 VanDerWaalsContact OE2-CZ 3.3Å; E200-Y554 PolarHBondContact OE2-OH 3Å; P228-Y554 HydrophobicContact CB-CD1 3.72Å; P228-Y554 HydrophobicContact CB-CE1 3.98Å; P228-Y554 HydrophobicContact CG-CD1 4.41Å; P228-Y554 HydrophobicContact CG-CE1 4.34Å; F533-Y554 HydrophobicContact CD2-CE2 4.39Å; F533-Y554 HydrophobicContact CE1-CD2 4.4Å; F533-Y554 HydrophobicContact CE1-CE2 4.36Å; F533-Y554 AromaticContact CE2-CD2 3.85Å; F533-Y554 HydrophobicContact CE2-CD2 3.85Å; F533-Y554 AromaticContact CE2-CE2 3.73Å; F533-Y554 HydrophobicContact CE2-CE2 3.73Å; F533-Y554 AromaticContact CZ-CD2 3.55Å; F533-Y554 HydrophobicContact CZ-CD2 3.55Å; F533-Y554 AromaticContact CZ-CE2 3.71Å; F533-Y554 HydrophobicContact CZ-CE2 3.71Å; F533-Y554 HydrophobicContact CZ-CG 4.44Å; N537-Y554 HydrophobicContact CB-CD2 3.96Å; N537-Y554 HydrophobicContact CB-CE2 3.59Å; L538-Y554 HydrophobicContact CD2-CD2 4.25Å; Y554-G577 CarbonylContact O-C 3.47Å; Y554-G577 WeakPolarHBondContact O-CA 3.32Å; Y554-V578 PolarHBondContact N-O 3.03Å; Y554-V578 PolarHBondContact O-N 3.23Å; Y554-V601 HydrophobicContact CD1-CG1 3.65Å; Y554-V601 HydrophobicContact CE1-CG1 3.76Å; Y554-V601 HydrophobicContact CG-CG1 4.41Å
555T96.3Very high85.3Confident0 Ų049.7 Ų49.70%027%0.266CS..  trans-119.9167.5173.265.70000109.8P228 Y501 N537 L539 I559 T576P228-T555 WeakPolarHBondContact O-CA 3.31Å; Y501-T555 WeakPolarHBondContact CE1-OG1 3.35Å; Y501-T555 PolarHBondContact OH-OG1 2.72Å; N537-T555 WeakPolarHBondContact CB-O 3.49Å; N537-T555 PolarHBondContact ND2-O 2.92Å; N537-T555 PolarHBondContact O-N 3.16Å; L539-T555 HydrophobicContact CD2-CG2 4.21Å; T555-I559 HydrophobicContact CG2-CG2 3.78Å; T555-T576 HydrophobicContact CG2-CG2 4.44Å
556N95.1Very high87.5Confident1 Ų140.4 Ų40.41%0.00522%0.222CC..  trans-75.5170.4164.676.5-3.4000111.3E200 P201 G203 P228 C229 L558 I559 K560E200-N556 HydrophobicContact CG-CB 4.16Å; E200-N556 VanDerWaalsContact OE1-CB 3.28Å; E200-N556 WeakPolarHBondContact OE1-CB 2.97Å; P201-N556 PolarHBondContact O-ND2 3.19Å; G203-N556 PolarHBondContact O-ND2 3.49Å; P228-N556 PolarHBondContact O-N 3.35Å; P228-N556 VanDerWaalsContact O-N 3.11Å; C229-N556 PolarHBondContact SG-ND2 2.85Å; N556-L558 VanDerWaalsContact C-N 3.3Å; N556-L558 PolarHBondContact O-N 3.39Å; N556-L558 PolarHBondContact OD1-N 2.93Å; N556-I559 PolarHBondContact O-N 3.5Å; N556-I559 WeakPolarHBondContact OD1-CB 3.48Å; N556-I559 WeakPolarHBondContact OD1-CG1 3.4Å; N556-I559 PolarHBondContact OD1-N 2.92Å; N556-K560 PolarHBondContact O-N 3.25Å; N556-K560 VanDerWaalsContact O-N 3.14Å
557S94.3Very high88.9Confident64 Ų6440.4 Ų40.445%0.44821%0.209SC..Hα-helixtrans-66.3-31.3-175.1-57.40000113.2N537 K560 N561N537-S557 PolarHBondContact ND2-N 3.41Å; N537-S557 PolarHBondContact ND2-OG 3.45Å; S557-K560 PolarHBondContact O-N 2.64Å; S557-N561 PolarHBondContact O-N 2.72Å
558L95.9Very high90Very high36 Ų3643.2 Ų43.219%0.18822%0.218CC..Hα-helixtrans-67.7-43.8178.9-178.760.3000111.5T160 M204 L245 N556 N561 M562T160-L558 HydrophobicContact CG2-CD2 3.67Å; M204-L558 HydrophobicContact CB-CD2 4.35Å; M204-L558 HydrophobicContact CE-CD2 4.11Å; M204-L558 HydrophobicContact CE-CG 4.11Å; M204-L558 HydrophobicContact CG-CD2 3.82Å; M204-L558 HydrophobicContact CG-CG 4.34Å; M204-L558 HydrophobicContact SD-CD2 4.05Å; M204-L558 HydrophobicContact SD-CG 3.93Å; L245-L558 HydrophobicContact CD1-CD1 3.84Å; L245-L558 HydrophobicContact CD2-CD1 4.05Å; N556-L558 VanDerWaalsContact C-N 3.3Å; N556-L558 PolarHBondContact O-N 3.39Å; N556-L558 PolarHBondContact OD1-N 2.93Å; L558-N561 PolarHBondContact O-N 2.76Å; L558-M562 PolarHBondContact O-N 2.89Å
559I96.7Very high90.9Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-64-43.3174.9-72173.3000110.5M204 P228 V231 T555 N556 N561 M562 V563M204-I559 HydrophobicContact CB-CD1 4Å; M204-I559 HydrophobicContact CB-CG1 3.82Å; M204-I559 HydrophobicContact CG-CG1 4.43Å; M204-I559 HydrophobicContact SD-CG1 3.72Å; P228-I559 WeakPolarHBondContact O-CD1 3.25Å; V231-I559 HydrophobicContact CG2-CB 4.32Å; V231-I559 HydrophobicContact CG2-CD1 3.62Å; V231-I559 HydrophobicContact CG2-CG1 3.67Å; V231-I559 HydrophobicContact CG2-CG2 3.71Å; T555-I559 HydrophobicContact CG2-CG2 3.78Å; N556-I559 PolarHBondContact O-N 3.5Å; N556-I559 WeakPolarHBondContact OD1-CB 3.48Å; N556-I559 WeakPolarHBondContact OD1-CG1 3.4Å; N556-I559 PolarHBondContact OD1-N 2.92Å; I559-N561 VanDerWaalsContact C-N 3.3Å; I559-N561 PolarHBondContact O-N 3.46Å; I559-M562 PolarHBondContact O-N 3.48Å; I559-V563 HydrophobicContact CG2-CG2 3.83Å; I559-V563 WeakPolarHBondContact O-CB 3.3Å; I559-V563 WeakPolarHBondContact O-CG2 3.36Å; I559-V563 PolarHBondContact O-N 3.03Å
560K95Very high91.3Very high49 Ų4943.4 Ų43.421%0.21323%0.227CC..Hα-helixtrans-51.8-51.2174-179.9-162.9-178.9-168.90111.3Y501 D536 N537 N556 S557 M562 V563 S564Y501-K560 HydrophobicContact CD1-CB 4.37Å; Y501-K560 HydrophobicContact CD1-CD 4.42Å; Y501-K560 HydrophobicContact CD1-CG 3.8Å; Y501-K560 HydrophobicContact CD2-CG 4.24Å; Y501-K560 HydrophobicContact CE1-CB 3.79Å; Y501-K560 HydrophobicContact CE1-CG 3.73Å; Y501-K560 HydrophobicContact CE2-CB 4.45Å; Y501-K560 HydrophobicContact CE2-CG 4.18Å; Y501-K560 HydrophobicContact CG-CG 4.06Å; Y501-K560 WeakPolarHBondContact OH-CA 3.47Å; D536-K560 HydrophobicContact CB-CD 4.48Å; D536-K560 VanDerWaalsContact CB-NZ 3.26Å; D536-K560 VanDerWaalsContact CG-NZ 3.27Å; D536-K560 WeakPolarHBondContact O-CD 3.43Å; D536-K560 WeakPolarHBondContact O-CE 3.41Å; D536-K560 PolarHBondContact O-NZ 3.06Å; D536-K560 IonicContact OD2-NZ 3.6Å; D536-K560 PolarHBondContact OD2-NZ 2.73Å; N537-K560 WeakPolarHBondContact OD1-CD 3.3Å; N556-K560 PolarHBondContact O-N 3.25Å; N556-K560 VanDerWaalsContact O-N 3.14Å; S557-K560 PolarHBondContact O-N 2.64Å; K560-M562 PolarHBondContact O-N 3.42Å; K560-V563 PolarHBondContact O-N 2.93Å; K560-S564 WeakPolarHBondContact O-CB 3.48Å; K560-S564 PolarHBondContact O-N 3.43Å; K560-S564 PolarHBondContact O-OG 3Å
561N93.9Very high91.4Very high48 Ų4836.5 Ų36.526%0.25720%0.202SC..Hα-helixtrans-59.7-48.1179.8-171.1-22.3000111L245 T246 S557 L558 I559 T565L245-N561 HydrophobicContact CD2-CB 4.31Å; T246-N561 PolarHBondContact N-OD1 3.05Å; T246-N561 PolarHBondContact O-ND2 3.18Å; S557-N561 PolarHBondContact O-N 2.72Å; L558-N561 PolarHBondContact O-N 2.76Å; I559-N561 VanDerWaalsContact C-N 3.3Å; I559-N561 PolarHBondContact O-N 3.46Å; N561-T565 WeakPolarHBondContact O-CB 3.25Å; N561-T565 PolarHBondContact O-N 3Å; N561-T565 PolarHBondContact O-OG1 3.39Å; N561-T565 PolarHBondContact OD1-OG1 3.25Å; N561-T565 VanDerWaalsContact OD1-OG1 3.13Å
562M94.5Very high91.4Very high0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-61.9-49.8178.7-173.2-131.46600112.3M204 I206 V231 L243 L245 L261 L558 I559 K560 T565 N566 L571 I573M204-M562 HydrophobicContact CE-CG 4.48Å; M204-M562 HydrophobicContact CE-SD 4.47Å; I206-M562 HydrophobicContact CD1-SD 3.71Å; V231-M562 HydrophobicContact CG1-CE 4.4Å; V231-M562 HydrophobicContact CG2-CE 4.47Å; L243-M562 HydrophobicContact CD1-CG 4.38Å; L243-M562 HydrophobicContact CD1-SD 3.84Å; L245-M562 HydrophobicContact CD2-CB 3.84Å; L245-M562 HydrophobicContact CD2-CG 4.5Å; L261-M562 HydrophobicContact CD2-CG 4.23Å; L558-M562 PolarHBondContact O-N 2.89Å; I559-M562 PolarHBondContact O-N 3.48Å; K560-M562 PolarHBondContact O-N 3.42Å; M562-T565 PolarHBondContact O-N 3.1Å; M562-N566 PolarHBondContact O-N 3Å; M562-N566 VanDerWaalsContact O-N 3.15Å; M562-N566 PolarHBondContact O-ND2 3.14Å; M562-L571 HydrophobicContact CE-CD2 4.13Å; M562-I573 HydrophobicContact CE-CD1 4.33Å
563V93.6Very high91.4Very high9 Ų937.3 Ų37.36%0.05521%0.207CC..Hα-helixtrans-63-47.8-178.5174.60000110.2Y501 I559 K560 T565 N566 S567 I573Y501-V563 HydrophobicContact CE2-CB 3.9Å; Y501-V563 HydrophobicContact CE2-CG1 3.85Å; I559-V563 HydrophobicContact CG2-CG2 3.83Å; I559-V563 WeakPolarHBondContact O-CB 3.3Å; I559-V563 WeakPolarHBondContact O-CG2 3.36Å; I559-V563 PolarHBondContact O-N 3.03Å; K560-V563 PolarHBondContact O-N 2.93Å; V563-T565 VanDerWaalsContact C-N 3.31Å; V563-T565 PolarHBondContact O-N 3.44Å; V563-N566 PolarHBondContact O-N 3.38Å; V563-S567 PolarHBondContact O-N 2.87Å; V563-S567 VanDerWaalsContact O-N 3.08Å; V563-I573 HydrophobicContact CB-CD1 4.39Å; V563-I573 HydrophobicContact CG1-CD1 4.01Å; V563-I573 HydrophobicContact CG2-CD1 3.78Å
564S91.1Very high91.3Very high53 Ų5336.4 Ų36.437%0.37120%0.204SC..Hα-helixtrans-65-34.4-178.3-54.70000112.5K560 S567K560-S564 WeakPolarHBondContact O-CB 3.48Å; K560-S564 PolarHBondContact O-N 3.43Å; K560-S564 PolarHBondContact O-OG 3Å; S564-S567 PolarHBondContact O-OG 2.99Å
565T90.2Very high91.2Very high17 Ų1737.7 Ų37.710%0.10421%0.213CC..Hα-helixtrans-75.5-28.1179.8-59.40000112.6Y244 T246 L258 N561 M562 V563 R569Y244-T565 WeakPolarHBondContact O-CB 3.33Å; Y244-T565 WeakPolarHBondContact O-CG2 3.2Å; T246-T565 PolarHBondContact N-OG1 3.36Å; T246-T565 PolarHBondContact OG1-OG1 3.06Å; L258-T565 HydrophobicContact CD1-CG2 4.41Å; L258-T565 HydrophobicContact CD2-CG2 3.68Å; N561-T565 WeakPolarHBondContact O-CB 3.25Å; N561-T565 PolarHBondContact O-N 3Å; N561-T565 PolarHBondContact O-OG1 3.39Å; N561-T565 PolarHBondContact OD1-OG1 3.25Å; N561-T565 VanDerWaalsContact OD1-OG1 3.13Å; M562-T565 PolarHBondContact O-N 3.1Å; V563-T565 VanDerWaalsContact C-N 3.31Å; V563-T565 PolarHBondContact O-N 3.44Å; T565-R569 PolarHBondContact O-NE 3.09Å
566N91.3Very high91.2Very high4 Ų437.8 Ų37.82%0.02121%0.213CC..Hα-helixtrans-109.97.1-173.5-60-85.6000114.1Y244 M562 V563 E568 R569Y244-N566 PolarHBondContact N-ND2 3.34Å; Y244-N566 PolarHBondContact N-OD1 2.95Å; Y244-N566 VanDerWaalsContact N-OD1 3.1Å; Y244-N566 PolarHBondContact O-ND2 2.94Å; M562-N566 PolarHBondContact O-N 3Å; M562-N566 VanDerWaalsContact O-N 3.15Å; M562-N566 PolarHBondContact O-ND2 3.14Å; V563-N566 PolarHBondContact O-N 3.38Å; N566-E568 VanDerWaalsContact C-N 3.3Å; N566-E568 PolarHBondContact O-N 3.3Å; N566-R569 WeakPolarHBondContact O-CB 3.16Å; N566-R569 PolarHBondContact O-N 3.22Å; N566-R569 WeakPolarHBondContact OD1-CD 3.49Å
567S84.8Confident91.1Very high84 Ų8438.4 Ų38.459%0.58722%0.22SC*.G310 helixtrans-55-40.2-177.554.80000113.8V563 S564 R569V563-S567 PolarHBondContact O-N 2.87Å; V563-S567 VanDerWaalsContact O-N 3.08Å; S564-S567 PolarHBondContact O-OG 2.99Å; S567-R569 VanDerWaalsContact C-N 3.34Å
568E80.8Confident91Very high184 Ų18435.7 Ų35.786%0.8620%0.201SC*.G310 helixtrans-87.81.4-178.4-64.3177.6-178.800113.8N566N566-E568 VanDerWaalsContact C-N 3.3Å; N566-E568 PolarHBondContact O-N 3.3Å
569R82.9Confident90.9Very high83 Ų8337.5 Ų37.531%0.31321%0.205SC..G310 helixtrans-98.63.6-171-57.8-176.7-174.2-141.1-6.7114.4Y244 N466 T565 N566 S567 L571Y244-R569 VanDerWaalsContact CG-NH1 3.31Å; N466-R569 PolarHBondContact OD1-NH2 2.88Å; T565-R569 PolarHBondContact O-NE 3.09Å; N566-R569 WeakPolarHBondContact O-CB 3.16Å; N566-R569 PolarHBondContact O-N 3.22Å; N566-R569 WeakPolarHBondContact OD1-CD 3.49Å; S567-R569 VanDerWaalsContact C-N 3.34Å; R569-L571 VanDerWaalsContact C-N 3.35Å
570G80.7Confident90.8Very high38 Ų3837.5 Ų37.539%0.39221%0.205SC..THydrogen-bonded Turntrans76.117.2177.500000114.9K572G570-K572 PolarHBondContact O-N 2.99Å
571L89Confident90.8Very high26 Ų2635.2 Ų35.214%0.13620%0.195CC..  trans-63.9119.417117866.6000109.8T233 E235 P241 L243 M562 R569 I573T233-L571 HydrophobicContact CG2-CD1 4.05Å; T233-L571 HydrophobicContact CG2-CD2 4.49Å; T233-L571 HydrophobicContact CG2-CG 4.4Å; E235-L571 HydrophobicContact CG-CD1 4.11Å; P241-L571 HydrophobicContact CG-CD1 3.89Å; L243-L571 HydrophobicContact CD2-CD1 4.01Å; L243-L571 HydrophobicContact CD2-CD2 3.75Å; L243-L571 HydrophobicContact CD2-CG 4.38Å; M562-L571 HydrophobicContact CE-CD2 4.13Å; R569-L571 VanDerWaalsContact C-N 3.35Å; L571-I573 HydrophobicContact CD2-CD1 4.18Å; L571-I573 HydrophobicContact CD2-CG1 3.98Å; L571-I573 HydrophobicContact CG-CG1 4.09Å; L571-I573 PolarHBondContact O-N 3.32Å
572K91.3Very high90.8Very high34 Ų3433.6 Ų33.615%0.14819%0.187CC..  trans-84.996.7179.1-171169.9-179.3-176.10111.5T233 Q234 E235 F494 G570T233-K572 CarbonylContact C-O 3.58Å; T233-K572 VanDerWaalsContact CA-O 3.29Å; T233-K572 WeakPolarHBondContact CA-O 3.36Å; Q234-K572 HydrophobicContact CB-CB 4.49Å; Q234-K572 HydrophobicContact CB-CD 4.05Å; Q234-K572 HydrophobicContact CB-CG 4.2Å; Q234-K572 PolarHBondContact N-O 3.5Å; E235-K572 PolarHBondContact OE1-N 2.93Å; F494-K572 HydrophobicContact CD2-CD 4.25Å; G570-K572 PolarHBondContact O-N 2.99Å
573I93Very high90.7Very high29 Ų2934.6 Ų34.615%0.14919%0.194CC..EExtended strand (participates in β ladder)trans-88.1118.7172.2-56.4173.3000109.3V231 I232 F499 M562 V563 L571 T576V231-I573 HydrophobicContact CG1-CD1 4.45Å; V231-I573 HydrophobicContact CG1-CG1 4.29Å; V231-I573 HydrophobicContact CG1-CG2 3.97Å; I232-I573 CarbonylContact O-C 3.59Å; F499-I573 HydrophobicContact CD2-CB 4.27Å; F499-I573 HydrophobicContact CD2-CG2 4Å; F499-I573 HydrophobicContact CE2-CB 4.09Å; F499-I573 HydrophobicContact CE2-CG2 3.59Å; F499-I573 HydrophobicContact CZ-CG2 4.45Å; M562-I573 HydrophobicContact CE-CD1 4.33Å; V563-I573 HydrophobicContact CB-CD1 4.39Å; V563-I573 HydrophobicContact CG1-CD1 4.01Å; V563-I573 HydrophobicContact CG2-CD1 3.78Å; L571-I573 HydrophobicContact CD2-CD1 4.18Å; L571-I573 HydrophobicContact CD2-CG1 3.98Å; L571-I573 HydrophobicContact CG-CG1 4.09Å; L571-I573 PolarHBondContact O-N 3.32Å; I573-T576 HydrophobicContact CG2-CG2 4.18Å
574V92.6Very high90.7Very high5 Ų535.2 Ų35.23%0.0320%0.198CC..EExtended strand (participates in β ladder)trans-83.9-40.1177.8-179.20000111C215 Y216 V219 I232 Q234C215-V574 HydrophobicContact CB-CG1 4.23Å; C215-V574 HydrophobicContact CB-CG2 4.11Å; Y216-V574 HydrophobicContact CD1-CG1 4.2Å; Y216-V574 HydrophobicContact CE1-CG1 3.96Å; V219-V574 HydrophobicContact CG2-CG1 4.09Å; I232-V574 HydrophobicContact CG2-CB 3.98Å; I232-V574 HydrophobicContact CG2-CG2 4.44Å; I232-V574 PolarHBondContact O-N 3.36Å; Q234-V574 HydrophobicContact CB-CG2 3.74Å
575S93.3Very high90.6Very high27 Ų2739.7 Ų39.719%0.18921%0.213CC..EExtended strand (participates in β ladder)trans-159.1146.5-180-171.10000110.3I232I232-S575 PolarHBondContact N-O 3.19Å
576T94.8Very high90.5Very high2 Ų242.5 Ų42.51%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-156.6156.8170.8-172.50000110.2V230 F499 L539 T555 I573V230-T576 WeakPolarHBondContact O-CA 3.24Å; V230-T576 PolarHBondContact O-OG1 2.67Å; F499-T576 HydrophobicContact CD1-CG2 4.24Å; F499-T576 HydrophobicContact CD2-CG2 4.38Å; F499-T576 HydrophobicContact CE1-CG2 4.16Å; F499-T576 HydrophobicContact CE2-CG2 4.34Å; F499-T576 HydrophobicContact CG-CG2 4.34Å; F499-T576 HydrophobicContact CZ-CG2 4.22Å; L539-T576 HydrophobicContact CD2-CG2 3.65Å; T555-T576 HydrophobicContact CG2-CG2 4.44Å; I573-T576 HydrophobicContact CG2-CG2 4.18Å
577G92.9Very high90.3Very high14 Ų1452.6 Ų52.614%0.14427%0.272CS..SBendtrans72.5170.7177.200000114.9V230 Y554V230-G577 PolarHBondContact O-N 3.32Å; Y554-G577 CarbonylContact O-C 3.47Å; Y554-G577 WeakPolarHBondContact O-CA 3.32Å
578V93.5Very high90.3Very high8 Ų853.7 Ų53.75%0.04827%0.267CS..EExtended strand (participates in β ladder)trans-105.5139.3178.662.50000110.3Q226 P228 Y553 Y554 I580 D597 V601Q226-V578 HydrophobicContact CB-CG2 4.09Å; Q226-V578 WeakPolarHBondContact O-CG2 2.99Å; P228-V578 HydrophobicContact CB-CG1 4.22Å; Y553-V578 CarbonylContact C-O 3.5Å; Y553-V578 WeakPolarHBondContact CA-O 3.38Å; Y554-V578 PolarHBondContact N-O 3.03Å; Y554-V578 PolarHBondContact O-N 3.23Å; V578-I580 PolarHBondContact O-N 2.79Å; V578-D597 WeakPolarHBondContact CG2-O 3.42Å; V578-V601 HydrophobicContact CG1-CG2 4.12Å
579R93.1Very high90.9Very high74 Ų7446 Ų4628%0.27923%0.231SC..EExtended strand (participates in β ladder)trans-73.4112.8174.9-69.6-178.6179.9169.10.9109.4Y553 L595 D597 G598Y553-R579 HydrophobicContact CD1-CG 3.67Å; Y553-R579 HydrophobicContact CE1-CG 3.28Å; Y553-R579 HydrophobicContact CE2-CG 4.16Å; Y553-R579 HydrophobicContact CG-CG 4.28Å; Y553-R579 PolarHBondContact OH-NE 2.93Å; Y553-R579 PolarHBondContact OH-NH2 2.68Å; R579-L595 HydrophobicContact CB-CD1 3.74Å; R579-D597 HydrophobicContact CB-CB 4.28Å; R579-D597 CarbonylContact O-C 3.58Å; R579-G598 WeakPolarHBondContact O-CA 3.35Å; R579-G598 PolarHBondContact O-N 3.2Å; R579-G598 VanDerWaalsContact O-N 3.14Å
580I94.7Very high91.3Very high0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-105.2-39.2-176.4-171.7166.2000112.3F533 L538 L552 V578 V594 L595 V601 A602F533-I580 HydrophobicContact CE2-CD1 4.02Å; F533-I580 HydrophobicContact CZ-CD1 4.32Å; L538-I580 HydrophobicContact CD2-CG2 3.84Å; L552-I580 WeakPolarHBondContact O-CG2 3.31Å; L552-I580 PolarHBondContact O-N 2.75Å; V578-I580 PolarHBondContact O-N 2.79Å; I580-V594 CarbonylContact O-C 3.49Å; I580-V594 WeakPolarHBondContact O-CA 3.44Å; I580-L595 PolarHBondContact O-N 3.17Å; I580-V601 HydrophobicContact CD1-CB 4.29Å; I580-V601 HydrophobicContact CD1-CG1 3.94Å; I580-A602 HydrophobicContact CD1-CB 4.04Å; I580-A602 HydrophobicContact CG1-CB 4.05Å
581F95.5Very high91.8Very high1 Ų146.6 Ų46.60%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-127.3146.9-179.6-57.6-74.1000111.9I513 Y517 I519 F533 L538 F551 L552 Y592 R593 V594I513-F581 HydrophobicContact CD1-CB 4.44Å; I513-F581 HydrophobicContact CD1-CD2 4Å; I513-F581 HydrophobicContact CD1-CE2 4.47Å; I513-F581 HydrophobicContact CD1-CG 4.11Å; I513-F581 HydrophobicContact CG2-CD1 4.26Å; I513-F581 HydrophobicContact CG2-CD2 4.37Å; I513-F581 HydrophobicContact CG2-CE1 3.7Å; I513-F581 HydrophobicContact CG2-CE2 3.87Å; I513-F581 HydrophobicContact CG2-CZ 3.51Å; Y517-F581 HydrophobicContact CD2-CE1 4.24Å; Y517-F581 HydrophobicContact CE2-CD1 4.45Å; Y517-F581 HydrophobicContact CE2-CE1 4.05Å; I519-F581 HydrophobicContact CD1-CZ 4.22Å; F533-F581 HydrophobicContact CZ-CE2 4.48Å; L538-F581 HydrophobicContact CD2-CD2 4.27Å; L538-F581 HydrophobicContact CD2-CE2 4.32Å; F551-F581 WeakPolarHBondContact CA-O 3.33Å; L552-F581 HydrophobicContact CB-CB 4.15Å; L552-F581 HydrophobicContact CB-CD2 4.45Å; L552-F581 HydrophobicContact CD1-CB 4.4Å; L552-F581 HydrophobicContact CD1-CD2 4.46Å; L552-F581 HydrophobicContact CG-CB 4.44Å; L552-F581 PolarHBondContact N-O 3.45Å; L552-F581 PolarHBondContact O-N 2.8Å; F581-Y592 HydrophobicContact CB-CD1 4.11Å; F581-R593 CarbonylContact C-O 3.56Å; F581-R593 WeakPolarHBondContact CA-O 3.26Å; F581-V594 HydrophobicContact CD1-CG2 3.95Å; F581-V594 HydrophobicContact CE1-CG2 3.53Å
582S94.1Very high92.1Very high13 Ų1345.7 Ų45.79%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-122.3135.2168.4-177.90000109.4R550 F551 Y592 R593R550-S582 CarbonylContact O-C 3.53Å; R550-S582 VanDerWaalsContact O-CA 3.3Å; R550-S582 WeakPolarHBondContact O-CA 3.32Å; R550-S582 PolarHBondContact O-OG 2.72Å; F551-S582 WeakPolarHBondContact CE1-OG 3.35Å; S582-Y592 CarbonylContact O-C 3.52Å; S582-Y592 VanDerWaalsContact O-CA 3.31Å; S582-Y592 WeakPolarHBondContact O-CA 3.11Å; S582-R593 PolarHBondContact N-O 2.99Å; S582-R593 PolarHBondContact O-N 2.9Å
583S92.5Very high92.3Very high21 Ų2146.3 Ų46.315%0.14722%0.223CC..EExtended strand (participates in β ladder)trans-62.2139.8167.7171.60000109.7R548 R550 G591R548-S583 WeakPolarHBondContact CD-OG 3.39Å; R548-S583 PolarHBondContact NE-OG 3.2Å; R550-S583 PolarHBondContact O-N 2.98Å; S583-G591 CarbonylContact C-O 3.54Å; S583-G591 WeakPolarHBondContact CA-O 3.39Å
584V91.9Very high92.4Very high23 Ų2345 Ų4514%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-133.5131.9177.2-179.80000108.9D586 F589 G591 R593 W687V584-D586 HydrophobicContact CG1-CB 4.21Å; V584-F589 HydrophobicContact CB-CD1 4.48Å; V584-G591 PolarHBondContact N-O 3.49Å; V584-G591 PolarHBondContact O-N 3.49Å; V584-R593 HydrophobicContact CG2-CB 3.68Å; V584-W687 HydrophobicContact CG1-CH2 3.92Å; V584-W687 HydrophobicContact CG1-CZ3 3.95Å
585E89.2Confident92.5Very high147 Ų14745.8 Ų45.869%0.68722%0.22SC*.EExtended strand (participates in β ladder)trans-11997.9170.6-69.2173.1-169.300107.3R548 E590R548-E585 IonicContact NH1-OE1 2.62Å; E585-E590 HydrophobicContact CG-CG 4.35Å
586D88.3Confident92.5Very high76 Ų7645.1 Ų45.141%0.40621%0.214SC..EExtended strand (participates in β ladder)trans-120.8153.6175-174.8-92.7000109.5V584 Q588 F589 W687V584-D586 HydrophobicContact CG1-CB 4.21Å; D586-Q588 PolarHBondContact O-N 2.7Å; D586-Q588 VanDerWaalsContact O-N 3.09Å; D586-Q588 PolarHBondContact OD1-N 3.12Å; D586-F589 WeakPolarHBondContact CA-O 3.5Å; D586-F589 PolarHBondContact N-O 3.35Å; D586-F589 CarbonylContact O-C 3.59Å; D586-F589 PolarHBondContact O-N 3.14Å; D586-F589 VanDerWaalsContact O-N 3.08Å; D586-W687 HydrophobicContact CB-CH2 3.95Å; D586-W687 HydrophobicContact CB-CZ2 4.07Å
587K87.4Confident92.3Very high216 Ų21647.2 Ų47.294%0.93923%0.225SC*.THydrogen-bonded Turntrans-55.4-30.6178.8-67.6-178.3179-179.90113.1
588Q85.9Confident92.2Very high107 Ų10746.5 Ų46.550%0.522%0.219SC..THydrogen-bonded Turntrans-97.4-13.5-178.1-60.1-171.9-19.400113.2D586 S651D586-Q588 PolarHBondContact O-N 2.7Å; D586-Q588 VanDerWaalsContact O-N 3.09Å; D586-Q588 PolarHBondContact OD1-N 3.12Å; Q588-S651 VanDerWaalsContact OE1-CB 3.31Å; Q588-S651 PolarHBondContact OE1-OG 3.18Å
589F91.7Very high92.1Very high22 Ų2246.5 Ų46.510%0.09622%0.218CC..EExtended strand (participates in β ladder)trans-157.3126-172.9177-100000111.6Y516 V584 D586 P653 W687Y516-F589 AromaticContact CD2-CE2 3.66Å; Y516-F589 HydrophobicContact CD2-CE2 3.66Å; Y516-F589 HydrophobicContact CD2-CZ 4.21Å; Y516-F589 HydrophobicContact CE1-CZ 4.49Å; Y516-F589 AromaticContact CE2-CD2 3.82Å; Y516-F589 HydrophobicContact CE2-CD2 3.82Å; Y516-F589 AromaticContact CE2-CE2 3.07Å; Y516-F589 HydrophobicContact CE2-CE2 3.07Å; Y516-F589 AromaticContact CE2-CZ 3.76Å; Y516-F589 HydrophobicContact CE2-CZ 3.76Å; Y516-F589 AromaticContact CZ-CE2 3.61Å; Y516-F589 AromaticContact CZ-CZ 3.94Å; V584-F589 HydrophobicContact CB-CD1 4.48Å; D586-F589 WeakPolarHBondContact CA-O 3.5Å; D586-F589 PolarHBondContact N-O 3.35Å; D586-F589 CarbonylContact O-C 3.59Å; D586-F589 PolarHBondContact O-N 3.14Å; D586-F589 VanDerWaalsContact O-N 3.08Å; F589-P653 VanDerWaalsContact CD1-CD 3.41Å; F589-P653 HydrophobicContact CD1-CG 3.85Å; F589-P653 VanDerWaalsContact CE1-CD 3.45Å; F589-P653 HydrophobicContact CE1-CG 3.47Å; F589-P653 VanDerWaalsContact CE1-CG 3.47Å; F589-P653 HydrophobicContact CZ-CG 3.95Å; F589-W687 HydrophobicContact CB-CH2 3.78Å; F589-W687 HydrophobicContact CB-CZ2 3.98Å; F589-W687 AromaticContact CD1-CH2 3.75Å; F589-W687 HydrophobicContact CD1-CH2 3.75Å; F589-W687 HydrophobicContact CD1-CZ3 4.14Å; F589-W687 HydrophobicContact CG-CH2 4.1Å
590E91.3Very high91.9Very high134 Ų13445 Ų4563%0.62621%0.214SC*.EExtended strand (participates in β ladder)trans-117.1124.2168.8-166.8-169.9157.100109.3R548 E585R548-E590 IonicContact CZ-OE1 3.87Å; R548-E590 IonicContact NH1-OE1 2.68Å; R548-E590 PolarHBondContact NH1-OE1 2.81Å; E585-E590 HydrophobicContact CG-CG 4.35Å
591G92.9Very high91.6Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans162.7-140.1-177.100000112.9S583 V584S583-G591 CarbonylContact C-O 3.54Å; S583-G591 WeakPolarHBondContact CA-O 3.39Å; V584-G591 PolarHBondContact N-O 3.49Å; V584-G591 PolarHBondContact O-N 3.49Å
592Y94.4Very high91.4Very high6 Ų645 Ų452%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-127.8136.5-176.4-72.8-91.4000111S509 I513 Y517 L552 F581 S582S509-Y592 PolarHBondContact OG-OH 3.22Å; I513-Y592 HydrophobicContact CD1-CD1 4.14Å; I513-Y592 HydrophobicContact CD1-CD2 3.87Å; I513-Y592 HydrophobicContact CD1-CE2 4.48Å; I513-Y592 HydrophobicContact CD1-CG 3.7Å; I513-Y592 HydrophobicContact CG1-CD2 3.75Å; I513-Y592 HydrophobicContact CG1-CG 3.75Å; Y517-Y592 PolarHBondContact OH-O 3.46Å; L552-Y592 HydrophobicContact CD1-CD1 4.25Å; L552-Y592 HydrophobicContact CD1-CE1 4.03Å; L552-Y592 HydrophobicContact CG-CD1 4.43Å; L552-Y592 HydrophobicContact CG-CE1 4.06Å; F581-Y592 HydrophobicContact CB-CD1 4.11Å; S582-Y592 CarbonylContact O-C 3.52Å; S582-Y592 VanDerWaalsContact O-CA 3.31Å; S582-Y592 WeakPolarHBondContact O-CA 3.11Å
593R95Very high91.2Very high48 Ų4845.6 Ų45.618%0.18122%0.217CC..EExtended strand (participates in β ladder)trans-107.2136.1175.4179.2177.585.5-157.26.1110.2F581 S582 V584 L595 P653 Y696F581-R593 CarbonylContact C-O 3.56Å; F581-R593 WeakPolarHBondContact CA-O 3.26Å; S582-R593 PolarHBondContact N-O 2.99Å; S582-R593 PolarHBondContact O-N 2.9Å; V584-R593 HydrophobicContact CG2-CB 3.68Å; R593-L595 PolarHBondContact O-N 2.9Å; R593-P653 HydrophobicContact CB-CB 4.15Å; R593-P653 HydrophobicContact CB-CG 3.79Å; R593-P653 HydrophobicContact CG-CB 3.99Å; R593-P653 HydrophobicContact CG-CG 4.05Å; R593-Y696 VanDerWaalsContact NH1-CE1 3.28Å; R593-Y696 VanDerWaalsContact NH1-CE2 3.32Å; R593-Y696 PolarHBondContact NH1-OH 2.93Å
594V95.8Very high90.9Very high0 Ų045.6 Ų45.60%022%0.218CC..EExtended strand (participates in β ladder)trans-61.1127.2167.4175.50000110.3Y517 I580 F581 I599 A602 I606 L655 S685Y517-V594 HydrophobicContact CE1-CG2 4.01Å; Y517-V594 HydrophobicContact CE2-CG2 4.04Å; Y517-V594 PolarHBondContact OH-N 3.46Å; I580-V594 CarbonylContact O-C 3.49Å; I580-V594 WeakPolarHBondContact O-CA 3.44Å; F581-V594 HydrophobicContact CD1-CG2 3.95Å; F581-V594 HydrophobicContact CE1-CG2 3.53Å; V594-I599 HydrophobicContact CG1-CD1 3.74Å; V594-A602 HydrophobicContact CG1-CB 3.61Å; V594-A602 HydrophobicContact CG2-CB 4.22Å; V594-I606 HydrophobicContact CG2-CD1 3.89Å; V594-L655 HydrophobicContact CG2-CD1 4.28Å; V594-S685 WeakPolarHBondContact O-CB 3.37Å; V594-S685 PolarHBondContact O-OG 2.79Å
595L95.4Very high90.7Very high22 Ų2245.6 Ų45.612%0.11522%0.216CC..  trans-86.4145.8174.8-71.5175.3000110.9F551 R579 I580 R593 D597 G598 I599F551-L595 HydrophobicContact CD1-CD1 3.85Å; F551-L595 HydrophobicContact CE1-CD1 4.14Å; R579-L595 HydrophobicContact CB-CD1 3.74Å; I580-L595 PolarHBondContact O-N 3.17Å; R593-L595 PolarHBondContact O-N 2.9Å; L595-D597 PolarHBondContact O-N 3.31Å; L595-G598 PolarHBondContact O-N 3.49Å; L595-I599 PolarHBondContact O-N 3.39Å
596Q93.1Very high90.7Very high13 Ų1338.7 Ų38.76%0.06118%0.184CC..G310 helixtrans-60.1-33.2175-167.86219.600111.9Q226 G598 I599 F684 Y696 E701Q226-Q596 PolarHBondContact NE2-O 2.91Å; Q596-G598 PolarHBondContact O-N 3.34Å; Q596-G598 VanDerWaalsContact O-N 3.09Å; Q596-I599 VanDerWaalsContact O-CG2 3.26Å; Q596-I599 WeakPolarHBondContact O-CG2 3.38Å; Q596-I599 PolarHBondContact O-N 3.47Å; Q596-F684 VanDerWaalsContact OE1-CA 3.27Å; Q596-Y696 WeakPolarHBondContact CB-O 3.16Å; Q596-E701 WeakPolarHBondContact CG-OE1 3.34Å; Q596-E701 WeakPolarHBondContact CG-OE2 3.47Å; Q596-E701 PolarHBondContact NE2-OE1 2.59Å
597D89.9Confident90.7Very high46 Ų4636.3 Ų36.325%0.24617%0.172CC..G310 helixtrans-56.4-23.8174.5-76.9-2.9000113.8K223 Q226 V578 R579 L595K223-D597 WeakPolarHBondContact CE-OD2 3.49Å; K223-D597 IonicContact NZ-OD1 2.95Å; K223-D597 IonicContact NZ-OD2 3.81Å; K223-D597 PolarHBondContact NZ-OD2 3.49Å; Q226-D597 WeakPolarHBondContact CB-O 3.27Å; Q226-D597 WeakPolarHBondContact CG-O 3.35Å; V578-D597 WeakPolarHBondContact CG2-O 3.42Å; R579-D597 HydrophobicContact CB-CB 4.28Å; R579-D597 CarbonylContact O-C 3.58Å; L595-D597 PolarHBondContact O-N 3.31Å
598G91.4Very high90.6Very high0 Ų031.2 Ų31.20%016%0.155CC..G310 helixtrans-124.820.8-178.200000112.8R579 L595 Q596 E600 V601 A602R579-G598 WeakPolarHBondContact O-CA 3.35Å; R579-G598 PolarHBondContact O-N 3.2Å; R579-G598 VanDerWaalsContact O-N 3.14Å; L595-G598 PolarHBondContact O-N 3.49Å; Q596-G598 PolarHBondContact O-N 3.34Å; Q596-G598 VanDerWaalsContact O-N 3.09Å; G598-E600 PolarHBondContact O-N 3.34Å; G598-V601 PolarHBondContact O-N 3.18Å; G598-A602 WeakPolarHBondContact O-CB 3.1Å; G598-A602 PolarHBondContact O-N 2.93Å
599I91.7Very high90.6Very high7 Ų730.6 Ų30.64%0.03616%0.162CC..Hα-helixtrans-65.7-37.1-173.2-167.261.9000112.2V594 L595 Q596 V601 A602 D603 L655 V683V594-I599 HydrophobicContact CG1-CD1 3.74Å; L595-I599 PolarHBondContact O-N 3.39Å; Q596-I599 VanDerWaalsContact O-CG2 3.26Å; Q596-I599 WeakPolarHBondContact O-CG2 3.38Å; Q596-I599 PolarHBondContact O-N 3.47Å; I599-V601 PolarHBondContact O-N 3.03Å; I599-A602 PolarHBondContact O-N 3.18Å; I599-D603 WeakPolarHBondContact O-CB 3.47Å; I599-D603 PolarHBondContact O-N 2.75Å; I599-L655 HydrophobicContact CD1-CD2 3.89Å; I599-L655 HydrophobicContact CD1-CG 4.08Å; I599-V683 HydrophobicContact CD1-CG1 4.14Å; I599-V683 HydrophobicContact CG1-CB 4.49Å; I599-V683 HydrophobicContact CG1-CG1 3.95Å
600E87.6Confident90.4Very high42 Ų4229.7 Ų29.720%0.19616%0.159CC..Hα-helixtrans-63.5-43.8179.9-65.2-178.7156.400111.1R60 G598 A604R60-E600 WeakPolarHBondContact CD-OE1 3.18Å; R60-E600 VanDerWaalsContact CG-OE1 3.32Å; R60-E600 WeakPolarHBondContact CG-OE1 3.19Å; R60-E600 IonicContact CZ-OE1 2.65Å; R60-E600 IonicContact CZ-OE2 3.08Å; R60-E600 IonicContact NE-OE1 3.34Å; R60-E600 PolarHBondContact NE-OE1 3.49Å; R60-E600 IonicContact NE-OE2 2.69Å; R60-E600 PolarHBondContact NE-OE2 3.3Å; R60-E600 IonicContact NH2-OE1 2.86Å; R60-E600 IonicContact NH2-OE2 3.66Å; G598-E600 PolarHBondContact O-N 3.34Å; E600-A604 PolarHBondContact O-N 3.43Å
601V89.4Confident90.4Very high1 Ų126.9 Ų26.91%0.00615%0.148CC..Hα-helixtrans-66.1-51.4173.9-178.20000110Y198 P228 Y554 V578 I580 G598 I599 D603 A604 Y605Y198-V601 HydrophobicContact CE1-CG2 4.22Å; P228-V601 HydrophobicContact CG-CG2 4.32Å; Y554-V601 HydrophobicContact CD1-CG1 3.65Å; Y554-V601 HydrophobicContact CE1-CG1 3.76Å; Y554-V601 HydrophobicContact CG-CG1 4.41Å; V578-V601 HydrophobicContact CG1-CG2 4.12Å; I580-V601 HydrophobicContact CD1-CB 4.29Å; I580-V601 HydrophobicContact CD1-CG1 3.94Å; G598-V601 PolarHBondContact O-N 3.18Å; I599-V601 PolarHBondContact O-N 3.03Å; V601-D603 VanDerWaalsContact C-N 3.31Å; V601-D603 PolarHBondContact O-N 3.08Å; V601-A604 WeakPolarHBondContact O-CB 3.32Å; V601-A604 PolarHBondContact O-N 3.09Å; V601-Y605 HydrophobicContact CG1-CD2 4.05Å; V601-Y605 HydrophobicContact CG1-CE2 3.84Å; V601-Y605 WeakPolarHBondContact O-CD2 3.39Å
602A90.8Very high90.5Very high2 Ų227.9 Ų27.92%0.01715%0.152CC..Hα-helixtrans-58.9-42.7-178.200000112.4I580 V594 G598 I599 A604 Y605 I606I580-A602 HydrophobicContact CD1-CB 4.04Å; I580-A602 HydrophobicContact CG1-CB 4.05Å; V594-A602 HydrophobicContact CG1-CB 3.61Å; V594-A602 HydrophobicContact CG2-CB 4.22Å; G598-A602 WeakPolarHBondContact O-CB 3.1Å; G598-A602 PolarHBondContact O-N 2.93Å; I599-A602 PolarHBondContact O-N 3.18Å; A602-A604 VanDerWaalsContact C-N 3.29Å; A602-A604 PolarHBondContact O-N 2.63Å; A602-Y605 PolarHBondContact O-N 2.88Å; A602-I606 HydrophobicContact CB-CD1 4.14Å; A602-I606 WeakPolarHBondContact O-CB 3.25Å; A602-I606 VanDerWaalsContact O-CG1 3.24Å; A602-I606 WeakPolarHBondContact O-CG1 3.18Å; A602-I606 PolarHBondContact O-N 2.94Å
603D89.4Confident90.5Very high24 Ų2427.9 Ų27.913%0.12815%0.152CC..Hα-helixtrans-62.3-35.6179.1-17860.3000112.8I599 V601 Y605 R613 R681 V683I599-D603 WeakPolarHBondContact O-CB 3.47Å; I599-D603 PolarHBondContact O-N 2.75Å; V601-D603 VanDerWaalsContact C-N 3.31Å; V601-D603 PolarHBondContact O-N 3.08Å; D603-Y605 PolarHBondContact O-N 3Å; D603-R613 IonicContact OD1-CZ 3.33Å; D603-R613 IonicContact OD1-NH1 3.52Å; D603-R613 PolarHBondContact OD1-NH1 2.87Å; D603-R613 IonicContact OD1-NH2 2.69Å; D603-R613 PolarHBondContact OD1-NH2 3.27Å; D603-R681 VanDerWaalsContact CG-NH2 3.32Å; D603-R681 IonicContact OD1-CZ 3.66Å; D603-R681 IonicContact OD1-NH1 2.73Å; D603-R681 IonicContact OD1-NH2 3.93Å; D603-R681 PolarHBondContact OD1-NH2 2.86Å; D603-R681 IonicContact OD2-CZ 3.36Å; D603-R681 IonicContact OD2-NH1 2.74Å; D603-R681 PolarHBondContact OD2-NH1 2.85Å; D603-R681 IonicContact OD2-NH2 2.87Å; D603-R681 PolarHBondContact OD2-NH2 3Å; D603-R681 VanDerWaalsContact OD2-NH2 3.08Å; D603-V683 HydrophobicContact CB-CG1 4.23Å
604A86.2Confident90.6Very high22 Ų2225.6 Ų25.618%0.18214%0.143CC..Hα-helixtrans-63.9-29.4177.500000113.3Y198 E600 V601 A602Y198-A604 HydrophobicContact CD1-CB 3.69Å; Y198-A604 HydrophobicContact CG-CB 4.2Å; E600-A604 PolarHBondContact O-N 3.43Å; V601-A604 WeakPolarHBondContact O-CB 3.32Å; V601-A604 PolarHBondContact O-N 3.09Å; A602-A604 VanDerWaalsContact C-N 3.29Å; A602-A604 PolarHBondContact O-N 2.63Å
605Y87.9Confident90.5Very high22 Ų2231.5 Ų31.59%0.08617%0.165CC..Hα-helixtrans-111.5-19-173.2-62.9-76000114.5I531 L532 F533 V601 A602 D603 P607I531-Y605 HydrophobicContact CG2-CD1 3.79Å; I531-Y605 HydrophobicContact CG2-CE1 3.35Å; L532-Y605 VanDerWaalsContact O-CE1 3.31Å; L532-Y605 WeakPolarHBondContact O-CE1 3.44Å; F533-Y605 HydrophobicContact CB-CD1 3.97Å; F533-Y605 HydrophobicContact CB-CG 4.07Å; F533-Y605 HydrophobicContact CD2-CD1 4.13Å; F533-Y605 AromaticContact CD2-CD2 3.53Å; F533-Y605 HydrophobicContact CD2-CD2 3.53Å; F533-Y605 HydrophobicContact CD2-CE2 4.17Å; F533-Y605 AromaticContact CD2-CG 3.55Å; F533-Y605 HydrophobicContact CD2-CG 3.55Å; F533-Y605 HydrophobicContact CE2-CD2 4.1Å; F533-Y605 HydrophobicContact CG-CG 4.3Å; V601-Y605 HydrophobicContact CG1-CD2 4.05Å; V601-Y605 HydrophobicContact CG1-CE2 3.84Å; V601-Y605 WeakPolarHBondContact O-CD2 3.39Å; A602-Y605 PolarHBondContact O-N 2.88Å; D603-Y605 PolarHBondContact O-N 3Å; Y605-P607 WeakPolarHBondContact O-CD 3.01Å
606I90.1Very high90.5Very high3 Ų330.5 Ų30.52%0.01516%0.16CC..SBendtrans-79.9114171.9-67.3170.5000108.4Y517 I519 V594 A602 R613 L655Y517-I606 HydrophobicContact CD1-CD1 3.9Å; Y517-I606 HydrophobicContact CE1-CD1 4.45Å; Y517-I606 HydrophobicContact CG-CD1 4.1Å; I519-I606 HydrophobicContact CD1-CG1 4.11Å; I519-I606 HydrophobicContact CG1-CG1 3.92Å; V594-I606 HydrophobicContact CG2-CD1 3.89Å; A602-I606 HydrophobicContact CB-CD1 4.14Å; A602-I606 WeakPolarHBondContact O-CB 3.25Å; A602-I606 VanDerWaalsContact O-CG1 3.24Å; A602-I606 WeakPolarHBondContact O-CG1 3.18Å; A602-I606 PolarHBondContact O-N 2.94Å; I606-R613 PolarHBondContact O-NH2 3.5Å; I606-L655 HydrophobicContact CD1-CD1 3.76Å; I606-L655 HydrophobicContact CD1-CD2 4.08Å
607P87.1Confident90.5Very high25 Ų2531.8 Ų31.816%0.16217%0.169CC..  trans-57.1147.4-175-26.236.2000112.8K518 K520 Y605 S609 S610K518-P607 VanDerWaalsContact O-CD 3.26Å; K518-P607 WeakPolarHBondContact O-CD 3.31Å; K518-P607 VanDerWaalsContact O-CG 3.25Å; K518-P607 WeakPolarHBondContact O-CG 3.34Å; K520-P607 HydrophobicContact CG-CG 4.36Å; Y605-P607 WeakPolarHBondContact O-CD 3.01Å; P607-S609 WeakPolarHBondContact CB-OG 3.36Å; P607-S609 PolarHBondContact O-N 2.84Å; P607-S609 VanDerWaalsContact O-N 3.12Å; P607-S610 WeakPolarHBondContact O-CB 3.5Å; P607-S610 PolarHBondContact O-N 3.36Å
608L84.9Confident90.5Very high110 Ų11030.2 Ų30.258%0.57616%0.162SC*.THydrogen-bonded Turntrans-60.7-20.8172.4-66.3176.4000112.9S610 R615L608-S610 VanDerWaalsContact C-N 3.33Å; L608-R615 PolarHBondContact O-NH1 3.38Å
609S85.9Confident90.6Very high94 Ų9436 Ų3666%0.65719%0.193SC*.THydrogen-bonded Turntrans-82.5-3.3174.358.10000114.3P607 D611P607-S609 WeakPolarHBondContact CB-OG 3.36Å; P607-S609 PolarHBondContact O-N 2.84Å; P607-S609 VanDerWaalsContact O-N 3.12Å; S609-D611 PolarHBondContact O-N 2.82Å
610S89.4Confident90.7Very high2 Ų236.6 Ų36.61%0.01420%0.195CC..  trans-59.6132.4175.8-1730000110.4Y517 P607 L608 R612 R613Y517-S610 WeakPolarHBondContact O-CB 3.44Å; Y517-S610 PolarHBondContact O-OG 3.13Å; P607-S610 WeakPolarHBondContact O-CB 3.5Å; P607-S610 PolarHBondContact O-N 3.36Å; L608-S610 VanDerWaalsContact C-N 3.33Å; S610-R612 PolarHBondContact O-N 3.35Å; S610-R612 PolarHBondContact OG-N 2.85Å; S610-R613 PolarHBondContact O-N 3.23Å
611D91Very high91Very high76 Ų7637 Ų3741%0.40620%0.195SC..THydrogen-bonded Turntrans-750.7173.456.9-6000112.4K518 S609 R613 I649K518-D611 WeakPolarHBondContact CE-OD1 3.47Å; K518-D611 VanDerWaalsContact CE-OD2 3.22Å; K518-D611 WeakPolarHBondContact CE-OD2 3.19Å; K518-D611 IonicContact NZ-OD1 3.28Å; K518-D611 PolarHBondContact NZ-OD1 2.98Å; K518-D611 IonicContact NZ-OD2 3.24Å; K518-D611 PolarHBondContact NZ-OD2 3.35Å; S609-D611 PolarHBondContact O-N 2.82Å; D611-R613 VanDerWaalsContact C-N 3.34Å; D611-I649 WeakPolarHBondContact O-CD1 3.36Å; D611-I649 VanDerWaalsContact O-CG1 3.31Å; D611-I649 WeakPolarHBondContact O-CG1 3.32Å
612R95.1Very high91.2Very high20 Ų2040.4 Ų40.48%0.07522%0.219CC..THydrogen-bonded Turntrans-93.413.6172.3-61.2-49.4-156.7173.31.4113.8Y516 Y517 S610 S650 I654 L655Y516-R612 HydrophobicContact CD1-CG 4.03Å; Y516-R612 HydrophobicContact CE1-CG 3.74Å; Y516-R612 WeakPolarHBondContact O-CG 3.4Å; Y516-R612 PolarHBondContact OH-NE 2.87Å; Y516-R612 VanDerWaalsContact OH-NE 3.14Å; Y516-R612 PolarHBondContact OH-NH1 3.22Å; Y516-R612 PolarHBondContact OH-NH2 2.93Å; Y517-R612 HydrophobicContact CD1-CB 3.88Å; Y517-R612 HydrophobicContact CD1-CG 4.19Å; Y517-R612 HydrophobicContact CE1-CB 4.17Å; S610-R612 PolarHBondContact O-N 3.35Å; S610-R612 PolarHBondContact OG-N 2.85Å; R612-S650 PolarHBondContact NH1-O 2.9Å; R612-S650 PolarHBondContact NH1-OG 2.84Å; R612-S650 PolarHBondContact NH2-OG 3.05Å; R612-I654 CarbonylContact O-C 3.55Å; R612-I654 WeakPolarHBondContact O-CA 3.33Å; R612-I654 WeakPolarHBondContact O-CB 3.42Å; R612-L655 PolarHBondContact O-N 2.92Å
613R94.5Very high91.5Very high6 Ų640.4 Ų40.42%0.02322%0.218CC..EExtended strand (participates in β ladder)trans-117.8124.2-179.9-172179.7-68.3-87.83.6110.9D603 I606 S610 D611 R615 L655 D657D603-R613 IonicContact OD1-CZ 3.33Å; D603-R613 IonicContact OD1-NH1 3.52Å; D603-R613 PolarHBondContact OD1-NH1 2.87Å; D603-R613 IonicContact OD1-NH2 2.69Å; D603-R613 PolarHBondContact OD1-NH2 3.27Å; I606-R613 PolarHBondContact O-NH2 3.5Å; S610-R613 PolarHBondContact O-N 3.23Å; D611-R613 VanDerWaalsContact C-N 3.34Å; R613-R615 HydrophobicContact CG-CG 4.18Å; R613-L655 CarbonylContact C-O 3.57Å; R613-L655 WeakPolarHBondContact CA-O 3.38Å; R613-L655 HydrophobicContact CG-CB 4.49Å; R613-D657 WeakPolarHBondContact CD-OD2 3.41Å; R613-D657 HydrophobicContact CG-CB 4.01Å; R613-D657 IonicContact CZ-OD2 3.31Å; R613-D657 IonicContact NE-OD2 3.34Å; R613-D657 IonicContact NH1-OD2 2.79Å; R613-D657 PolarHBondContact NH1-OD2 3.36Å
614V95.4Very high91.8Very high1 Ų139.3 Ų39.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-95.9118.6169.1178.40000107.7L616 T642 I649 I654 L655 D657 I693V614-L616 HydrophobicContact CG1-CD2 4.31Å; V614-T642 HydrophobicContact CG1-CG2 4.21Å; V614-I649 HydrophobicContact CG2-CD1 3.74Å; V614-I654 HydrophobicContact CB-CD1 4.5Å; V614-I654 HydrophobicContact CG2-CD1 3.69Å; V614-L655 PolarHBondContact N-O 3.42Å; V614-D657 PolarHBondContact O-N 3.44Å; V614-I693 HydrophobicContact CG2-CD1 4.38Å
615R94.6Very high92.1Very high123 Ų12339.5 Ų39.546%0.46421%0.211SC..EExtended strand (participates in β ladder)trans-99.9128.9-176.4-65.5-177.5-64.8-107.6-4.2110.3L608 R613 Q645 D657L608-R615 PolarHBondContact O-NH1 3.38Å; R613-R615 HydrophobicContact CG-CG 4.18Å; R615-Q645 PolarHBondContact O-NE2 2.87Å; R615-Q645 PolarHBondContact O-OE1 3.47Å; R615-D657 CarbonylContact C-O 3.59Å; R615-D657 WeakPolarHBondContact CA-O 3.44Å
616L95.1Very high92.4Very high1 Ų139.9 Ų39.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-115.5140.1174-51.6178.5000108.3V614 E620 D623 L624 L627 T642 I656 D657 Y658 T659V614-L616 HydrophobicContact CG1-CD2 4.31Å; L616-E620 HydrophobicContact CB-CB 4.13Å; L616-E620 HydrophobicContact CD2-CB 3.9Å; L616-E620 HydrophobicContact CD2-CG 4.47Å; L616-D623 HydrophobicContact CD2-CB 4.29Å; L616-L624 HydrophobicContact CD1-CB 4.15Å; L616-L627 HydrophobicContact CD1-CD1 3.95Å; L616-T642 HydrophobicContact CD2-CG2 4.16Å; L616-T642 WeakPolarHBondContact CD2-OG1 3.35Å; L616-I656 HydrophobicContact CD1-CG2 3.94Å; L616-I656 HydrophobicContact CG-CG2 4.46Å; L616-D657 PolarHBondContact N-O 3.19Å; L616-Y658 HydrophobicContact CB-CD2 4Å; L616-Y658 CarbonylContact O-C 3.54Å; L616-Y658 WeakPolarHBondContact O-CA 3.46Å; L616-T659 PolarHBondContact O-N 2.82Å
617T93Very high92.7Very high41 Ų4139.8 Ų39.825%0.25221%0.214SC..  trans-117.1-175.3172.869.40000110.1N619 E620 Y621 Y658 T659T617-N619 PolarHBondContact O-N 3.34Å; T617-N619 VanDerWaalsContact O-N 3.09Å; T617-N619 PolarHBondContact OG1-N 3.14Å; T617-E620 WeakPolarHBondContact CB-OE2 3.38Å; T617-E620 PolarHBondContact N-OE2 3.08Å; T617-E620 CarbonylContact O-C 3.51Å; T617-E620 PolarHBondContact O-N 2.86Å; T617-E620 PolarHBondContact OG1-OE2 2.64Å; T617-Y621 PolarHBondContact O-N 2.74Å; T617-Y658 WeakPolarHBondContact O-CE2 3.33Å; T617-T659 WeakPolarHBondContact CA-O 3.23Å
618S91.1Very high93Very high12 Ų1238.6 Ų38.68%0.08421%0.206CC..G310 helixtrans-49.9-31.8169.5-59.90000112.6E620 Y621 N661 E664S618-E620 VanDerWaalsContact C-N 3.34Å; S618-E620 PolarHBondContact O-N 3.12Å; S618-Y621 WeakPolarHBondContact O-CB 3.35Å; S618-Y621 PolarHBondContact O-N 3.49Å; S618-N661 WeakPolarHBondContact CB-ND2 3.15Å; S618-N661 PolarHBondContact OG-N 3.46Å; S618-E664 WeakPolarHBondContact CB-OE1 3.49Å; S618-E664 WeakPolarHBondContact CB-OE2 3.15Å; S618-E664 PolarHBondContact OG-OE1 3.12Å; S618-E664 PolarHBondContact OG-OE2 2.95Å
619N92.1Very high93.3Very high123 Ų12339 Ų3966%0.65820%0.203SC*.G310 helixtrans-69.5-28.2178-63.6-35.6000113.6T617T617-N619 PolarHBondContact O-N 3.34Å; T617-N619 VanDerWaalsContact O-N 3.09Å; T617-N619 PolarHBondContact OG1-N 3.14Å
620E95Very high93.6Very high19 Ų1939.6 Ų39.69%0.08920%0.196CC..G310 helixtrans-103.622.3178.1-62.184.5-171.500112L616 T617 S618 C622 D623 L624 T639 S641L616-E620 HydrophobicContact CB-CB 4.13Å; L616-E620 HydrophobicContact CD2-CB 3.9Å; L616-E620 HydrophobicContact CD2-CG 4.47Å; T617-E620 WeakPolarHBondContact CB-OE2 3.38Å; T617-E620 PolarHBondContact N-OE2 3.08Å; T617-E620 CarbonylContact O-C 3.51Å; T617-E620 PolarHBondContact O-N 2.86Å; T617-E620 PolarHBondContact OG1-OE2 2.64Å; S618-E620 VanDerWaalsContact C-N 3.34Å; S618-E620 PolarHBondContact O-N 3.12Å; E620-C622 PolarHBondContact O-N 2.79Å; E620-D623 HydrophobicContact CB-CB 4.4Å; E620-D623 WeakPolarHBondContact O-CB 3.31Å; E620-D623 PolarHBondContact O-N 3.31Å; E620-L624 PolarHBondContact O-N 3.1Å; E620-T639 WeakPolarHBondContact CG-OG1 3.4Å; E620-S641 WeakPolarHBondContact OE1-CB 3.34Å; E620-S641 PolarHBondContact OE1-OG 2.84Å
621Y93.4Very high93.6Very high50 Ų5044 Ų4420%0.19622%0.216CC..Hα-helixtrans-55.8-36.8177.4172.2-116.7000112.6T617 S618 D623 L624 V625 L677 P678 A709T617-Y621 PolarHBondContact O-N 2.74Å; S618-Y621 WeakPolarHBondContact O-CB 3.35Å; S618-Y621 PolarHBondContact O-N 3.49Å; Y621-D623 VanDerWaalsContact C-N 3.27Å; Y621-D623 PolarHBondContact O-N 2.97Å; Y621-L624 HydrophobicContact CD2-CD2 4.25Å; Y621-L624 WeakPolarHBondContact O-CB 3.45Å; Y621-L624 PolarHBondContact O-N 3.22Å; Y621-L624 VanDerWaalsContact O-N 3.17Å; Y621-V625 HydrophobicContact CD1-CG2 4.31Å; Y621-V625 HydrophobicContact CD2-CG2 4.19Å; Y621-V625 HydrophobicContact CE1-CG2 3.85Å; Y621-V625 HydrophobicContact CE2-CG2 3.67Å; Y621-V625 HydrophobicContact CG-CG2 4.47Å; Y621-V625 VanDerWaalsContact CZ-CG2 3.5Å; Y621-V625 WeakPolarHBondContact O-CG2 3.24Å; Y621-V625 PolarHBondContact O-N 3.39Å; Y621-L677 HydrophobicContact CD1-CD2 3.55Å; Y621-L677 HydrophobicContact CD2-CD2 3.89Å; Y621-L677 HydrophobicContact CE1-CD2 4.16Å; Y621-L677 HydrophobicContact CE2-CD2 4.49Å; Y621-L677 HydrophobicContact CG-CD2 3.39Å; Y621-P678 HydrophobicContact CD2-CG 3.91Å; Y621-P678 VanDerWaalsContact CE2-CD 3.43Å; Y621-P678 HydrophobicContact CE2-CG 3.81Å; Y621-A709 HydrophobicContact CE2-CB 4.49Å; Y621-A709 PolarHBondContact OH-O 3.02Å
622C94.3Very high93.8Very high73 Ų7345.7 Ų45.749%0.49322%0.223SC..Hα-helixtrans-61.1-34174.958.30000112.9E620 V625 L626 T639E620-C622 PolarHBondContact O-N 2.79Å; C622-V625 PolarHBondContact O-N 3.46Å; C622-L626 WeakPolarHBondContact O-CB 3.38Å; C622-L626 PolarHBondContact O-N 3Å; C622-T639 WeakPolarHBondContact SG-CG2 3.1Å
623D95.9Very high93.8Very high2 Ų245 Ų451%0.01122%0.221CC..Hα-helixtrans-71.6-38.1175.7-65.4-27.1000111.3L616 E620 Y621 L626 L627 M638 T639 T642L616-D623 HydrophobicContact CD2-CB 4.29Å; E620-D623 HydrophobicContact CB-CB 4.4Å; E620-D623 WeakPolarHBondContact O-CB 3.31Å; E620-D623 PolarHBondContact O-N 3.31Å; Y621-D623 VanDerWaalsContact C-N 3.27Å; Y621-D623 PolarHBondContact O-N 2.97Å; D623-L626 PolarHBondContact O-N 3.39Å; D623-L627 WeakPolarHBondContact O-CB 3.42Å; D623-L627 WeakPolarHBondContact O-CG 3.42Å; D623-L627 PolarHBondContact O-N 3.45Å; D623-M638 WeakPolarHBondContact OD1-CA 3.48Å; D623-M638 WeakPolarHBondContact OD1-CB 3.32Å; D623-T639 PolarHBondContact OD1-N 3.43Å; D623-T639 WeakPolarHBondContact OD2-CB 3.1Å; D623-T639 WeakPolarHBondContact OD2-CG2 3.33Å; D623-T639 PolarHBondContact OD2-N 2.8Å; D623-T639 PolarHBondContact OD2-OG1 3.07Å; D623-T642 WeakPolarHBondContact OD2-CB 3.26Å; D623-T642 PolarHBondContact OD2-OG1 2.82Å
624L95.1Very high93.9Very high0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-59.8-47.3171.2174.767.7000110.7L616 E620 Y621 L626 L627 L628 Y658 P678 L682 F684 A709L616-L624 HydrophobicContact CD1-CB 4.15Å; E620-L624 PolarHBondContact O-N 3.1Å; Y621-L624 HydrophobicContact CD2-CD2 4.25Å; Y621-L624 WeakPolarHBondContact O-CB 3.45Å; Y621-L624 PolarHBondContact O-N 3.22Å; Y621-L624 VanDerWaalsContact O-N 3.17Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.21Å; L624-L627 PolarHBondContact O-N 3.26Å; L624-L628 HydrophobicContact CD1-CD1 3.92Å; L624-L628 HydrophobicContact CD1-CG 4.11Å; L624-L628 HydrophobicContact CG-CD1 3.99Å; L624-L628 HydrophobicContact CG-CG 4.46Å; L624-L628 WeakPolarHBondContact O-CB 3.2Å; L624-L628 WeakPolarHBondContact O-CG 3.37Å; L624-L628 PolarHBondContact O-N 3.35Å; L624-Y658 HydrophobicContact CB-CD2 4.29Å; L624-Y658 HydrophobicContact CD2-CD1 4.18Å; L624-Y658 HydrophobicContact CD2-CD2 3.69Å; L624-Y658 HydrophobicContact CD2-CE2 4.05Å; L624-Y658 HydrophobicContact CD2-CG 3.74Å; L624-Y658 HydrophobicContact CG-CD2 4.48Å; L624-P678 HydrophobicContact CD2-CG 3.78Å; L624-L682 HydrophobicContact CD1-CD1 4.45Å; L624-L682 HydrophobicContact CD2-CD1 4.03Å; L624-F684 HydrophobicContact CD1-CE1 3.97Å; L624-F684 HydrophobicContact CD1-CZ 4.04Å; L624-A709 HydrophobicContact CD2-CB 4.16Å
625V93.9Very high93.8Very high26 Ų2649.8 Ų49.816%0.15825%0.246CC..Hα-helixtrans-59.4-44.5176.9173.10000110.7Y621 C622 L627 L628 K629 I711Y621-V625 HydrophobicContact CD1-CG2 4.31Å; Y621-V625 HydrophobicContact CD2-CG2 4.19Å; Y621-V625 HydrophobicContact CE1-CG2 3.85Å; Y621-V625 HydrophobicContact CE2-CG2 3.67Å; Y621-V625 HydrophobicContact CG-CG2 4.47Å; Y621-V625 VanDerWaalsContact CZ-CG2 3.5Å; Y621-V625 WeakPolarHBondContact O-CG2 3.24Å; Y621-V625 PolarHBondContact O-N 3.39Å; C622-V625 PolarHBondContact O-N 3.46Å; V625-L627 PolarHBondContact O-N 2.85Å; V625-L628 PolarHBondContact O-N 3.21Å; V625-K629 HydrophobicContact CG1-CD 3.94Å; V625-K629 HydrophobicContact CG1-CG 4.3Å; V625-K629 WeakPolarHBondContact O-CB 3.29Å; V625-K629 WeakPolarHBondContact O-CG 3.14Å; V625-K629 PolarHBondContact O-N 2.78Å; V625-I711 HydrophobicContact CB-CD1 4.13Å; V625-I711 HydrophobicContact CG1-CD1 4.09Å; V625-I711 HydrophobicContact CG1-CG1 4.4Å; V625-I711 HydrophobicContact CG2-CD1 3.91Å; V625-I711 HydrophobicContact CG2-CG1 4.09Å
626L94.3Very high93.9Very high31 Ų3148.1 Ų48.116%0.16225%0.254CS..Hα-helixtrans-60.6-44.8177.9-174.471.5000111.7C622 D623 L624 L628 K629 H630 P633 L637 M638C622-L626 WeakPolarHBondContact O-CB 3.38Å; C622-L626 PolarHBondContact O-N 3Å; D623-L626 PolarHBondContact O-N 3.39Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.21Å; L626-L628 VanDerWaalsContact C-N 3.35Å; L626-K629 PolarHBondContact O-N 3.14Å; L626-H630 PolarHBondContact O-N 3.22Å; L626-P633 HydrophobicContact CD1-CB 4.33Å; L626-P633 HydrophobicContact CD2-CB 3.59Å; L626-P633 HydrophobicContact CD2-CG 4.29Å; L626-P633 HydrophobicContact CG-CB 3.63Å; L626-P633 HydrophobicContact CG-CG 4.18Å; L626-L637 HydrophobicContact CD2-CB 3.82Å; L626-M638 HydrophobicContact CD2-CE 4.11Å; L626-M638 HydrophobicContact CD2-CG 3.97Å
627L94.9Very high94Very high1 Ų153.7 Ų53.71%0.00528%0.283CS..Hα-helixtrans-64.5-35.4175.4-77.7164000113L616 D623 L624 V625 H630 P633 M638 I656 F684 I693 H695L616-L627 HydrophobicContact CD1-CD1 3.95Å; D623-L627 WeakPolarHBondContact O-CB 3.42Å; D623-L627 WeakPolarHBondContact O-CG 3.42Å; D623-L627 PolarHBondContact O-N 3.45Å; L624-L627 PolarHBondContact O-N 3.26Å; V625-L627 PolarHBondContact O-N 2.85Å; L627-H630 CarbonylContact C-O 3.6Å; L627-P633 HydrophobicContact CD2-CG 3.86Å; L627-P633 HydrophobicContact CG-CG 4.32Å; L627-M638 HydrophobicContact CD1-CE 4.2Å; L627-M638 HydrophobicContact CD2-CE 3.97Å; L627-M638 HydrophobicContact CG-CE 3.76Å; L627-I656 HydrophobicContact CD1-CD1 4.25Å; L627-I656 HydrophobicContact CD1-CG2 3.96Å; L627-I656 HydrophobicContact CD2-CD1 4.1Å; L627-F684 HydrophobicContact CD1-CZ 4.44Å; L627-I693 HydrophobicContact CD2-CG1 4.25Å; L627-I693 HydrophobicContact CD2-CG2 3.81Å; L627-H695 PolarHBondContact O-CD2 2.95Å; L627-H695 PolarHBondContact O-NE2 3.37Å
628L93.5Very high94.1Very high0 Ų052.1 Ų52.10%027%0.273CS..Hα-helixtrans-82-20.3178.2-68.4178.6000112.8L624 V625 L626 I697 R702 F705 M706 A709 I711L624-L628 HydrophobicContact CD1-CD1 3.92Å; L624-L628 HydrophobicContact CD1-CG 4.11Å; L624-L628 HydrophobicContact CG-CD1 3.99Å; L624-L628 HydrophobicContact CG-CG 4.46Å; L624-L628 WeakPolarHBondContact O-CB 3.2Å; L624-L628 WeakPolarHBondContact O-CG 3.37Å; L624-L628 PolarHBondContact O-N 3.35Å; V625-L628 PolarHBondContact O-N 3.21Å; L626-L628 VanDerWaalsContact C-N 3.35Å; L628-I697 HydrophobicContact CD2-CD1 3.91Å; L628-R702 PolarHBondContact O-NE 3.26Å; L628-R702 PolarHBondContact O-NH2 2.94Å; L628-F705 HydrophobicContact CD1-CB 4.17Å; L628-F705 HydrophobicContact CD2-CB 3.78Å; L628-F705 HydrophobicContact CD2-CD2 4.39Å; L628-M706 HydrophobicContact CB-CG 4Å; L628-A709 HydrophobicContact CD1-CB 3.79Å; L628-I711 HydrophobicContact CB-CD1 3.7Å; L628-I711 HydrophobicContact CD1-CD1 3.73Å; L628-I711 HydrophobicContact CG-CD1 4.35Å
629K92.2Very high94.4Very high117 Ų11753.2 Ų53.251%0.50928%0.279SS..Hα-helixtrans-90.7-30174.3-75.2-173176.3-175.90113.5V625 L626 R702 I711V625-K629 HydrophobicContact CG1-CD 3.94Å; V625-K629 HydrophobicContact CG1-CG 4.3Å; V625-K629 WeakPolarHBondContact O-CB 3.29Å; V625-K629 WeakPolarHBondContact O-CG 3.14Å; V625-K629 PolarHBondContact O-N 2.78Å; L626-K629 PolarHBondContact O-N 3.14Å; K629-R702 PolarHBondContact O-NH2 2.96Å; K629-I711 HydrophobicContact CG-CG2 4.3Å
630H92.3Very high94.6Very high108 Ų10852.3 Ų52.350%0.527%0.271SS..  trans-126.8135-179.8-56.6-81000111.1L626 L627 M632 P633L626-H630 PolarHBondContact O-N 3.22Å; L627-H630 CarbonylContact C-O 3.6Å; H630-M632 VanDerWaalsContact C-N 3.28Å; H630-M632 PolarHBondContact O-N 3.4Å; H630-P633 WeakPolarHBondContact O-CD 3.38Å
631E89.9Confident94.6Very high93 Ų9353.7 Ų53.744%0.43528%0.283SS..SBendtrans-65.4-34.6-177.8-167.5-176.9158.800112.6R694 H695E631-R694 HydrophobicContact CG-CG 4.33Å; E631-R694 VanDerWaalsContact O-CA 3.25Å; E631-R694 WeakPolarHBondContact O-CA 3.13Å; E631-R694 WeakPolarHBondContact O-CG 3.1Å; E631-R694 IonicContact OE1-CZ 3.3Å; E631-R694 VanDerWaalsContact OE1-CZ 3.23Å; E631-R694 IonicContact OE1-NE 2.67Å; E631-R694 PolarHBondContact OE1-NE 3.25Å; E631-R694 IonicContact OE1-NH2 3.79Å; E631-R694 PolarHBondContact OE1-NH2 3.42Å; E631-H695 WeakPolarHBondContact CA-NE2 3.19Å; E631-H695 PolarHBondContact O-N 2.94Å; E631-H695 VanDerWaalsContact O-N 3.13Å
632M93.4Very high94.7Very high113 Ų11351.4 Ų51.456%0.55727%0.274SS*.SBendtrans-141.872.3-175.9-173.7-177.871.300111.6H630 I693 R694H630-M632 VanDerWaalsContact C-N 3.28Å; H630-M632 PolarHBondContact O-N 3.4Å; M632-I693 WeakPolarHBondContact CA-O 3.37Å; M632-R694 HydrophobicContact CB-CB 4.19Å; M632-R694 HydrophobicContact CB-CG 4.34Å; M632-R694 HydrophobicContact CG-CB 4.09Å
633P95.2Very high94.8Very high6 Ų652.1 Ų52.14%0.03927%0.266CS..  trans-64.8152.9173.326.6-36.7000113.1L626 L627 H630 M638 S692 I693L626-P633 HydrophobicContact CD1-CB 4.33Å; L626-P633 HydrophobicContact CD2-CB 3.59Å; L626-P633 HydrophobicContact CD2-CG 4.29Å; L626-P633 HydrophobicContact CG-CB 3.63Å; L626-P633 HydrophobicContact CG-CG 4.18Å; L627-P633 HydrophobicContact CD2-CG 3.86Å; L627-P633 HydrophobicContact CG-CG 4.32Å; H630-P633 WeakPolarHBondContact O-CD 3.38Å; P633-M638 HydrophobicContact CB-CE 4.24Å; P633-M638 HydrophobicContact CG-CE 3.65Å; P633-S692 VanDerWaalsContact O-CA 3.26Å; P633-S692 WeakPolarHBondContact O-CA 3.4Å; P633-S692 VanDerWaalsContact O-CB 3.26Å; P633-S692 WeakPolarHBondContact O-CB 3.5Å; P633-I693 WeakPolarHBondContact CD-O 3.4Å; P633-I693 HydrophobicContact CG-CG2 4.04Å; P633-I693 PolarHBondContact O-N 3.21Å; P633-I693 VanDerWaalsContact O-N 3.11Å
634L96.6Very high94.8Very high88 Ų8858.9 Ų58.946%0.46129%0.291SS..BIsolated β-bridgetrans-76.8139.4171.6-64.9175.8000110.1S636 L637 K691L634-S636 PolarHBondContact O-N 3.36Å; L634-L637 HydrophobicContact CB-CD1 4.45Å; L634-L637 HydrophobicContact CB-CG 4.38Å; L634-L637 WeakPolarHBondContact O-CB 3.48Å; L634-L637 PolarHBondContact O-N 3.41Å; L634-K691 WeakPolarHBondContact CA-O 3.28Å
635L95.1Very high94.8Very high18 Ų1860.8 Ų60.89%0.09430%0.3CS..G310 helixtrans-59.2-29.4175.9-69.7174.6000111.6L637 M638 R643 C646 K691 I693L635-L637 PolarHBondContact O-N 3.35Å; L635-M638 HydrophobicContact CD2-SD 3.97Å; L635-M638 WeakPolarHBondContact O-CB 3.5Å; L635-M638 PolarHBondContact O-N 3.24Å; L635-R643 HydrophobicContact CB-CG 4.45Å; L635-R643 WeakPolarHBondContact O-CD 3.21Å; L635-R643 WeakPolarHBondContact O-CG 3.23Å; L635-C646 HydrophobicContact CD1-CB 4.06Å; L635-C646 HydrophobicContact CD2-CB 3.75Å; L635-K691 PolarHBondContact N-O 3.47Å; L635-I693 HydrophobicContact CD2-CB 4.23Å; L635-I693 HydrophobicContact CD2-CG2 4.15Å
636S95.7Very high94.8Very high89 Ų8959.5 Ų59.562%0.62229%0.293SS*.G310 helixtrans-62.2-21.3177.257.90000114.2L634 M638L634-S636 PolarHBondContact O-N 3.36Å; S636-M638 VanDerWaalsContact C-N 3.35Å
637L96.1Very high94.7Very high117 Ų11764.1 Ų64.161%0.61331%0.313SS*.G310 helixtrans-88.8-6.2176.8-60.9175.6000112.5L626 L634 L635L626-L637 HydrophobicContact CD2-CB 3.82Å; L634-L637 HydrophobicContact CB-CD1 4.45Å; L634-L637 HydrophobicContact CB-CG 4.38Å; L634-L637 WeakPolarHBondContact O-CB 3.48Å; L634-L637 PolarHBondContact O-N 3.41Å; L635-L637 PolarHBondContact O-N 3.35Å
638M95.7Very high94.5Very high8 Ų870.8 Ų70.84%0.03935%0.349CS..SBendtrans-93.7159.2-175.4-63.4-170.9151.400112.6D623 L626 L627 P633 L635 S636 T642 R643 I693D623-M638 WeakPolarHBondContact OD1-CA 3.48Å; D623-M638 WeakPolarHBondContact OD1-CB 3.32Å; L626-M638 HydrophobicContact CD2-CE 4.11Å; L626-M638 HydrophobicContact CD2-CG 3.97Å; L627-M638 HydrophobicContact CD1-CE 4.2Å; L627-M638 HydrophobicContact CD2-CE 3.97Å; L627-M638 HydrophobicContact CG-CE 3.76Å; P633-M638 HydrophobicContact CB-CE 4.24Å; P633-M638 HydrophobicContact CG-CE 3.65Å; L635-M638 HydrophobicContact CD2-SD 3.97Å; L635-M638 WeakPolarHBondContact O-CB 3.5Å; L635-M638 PolarHBondContact O-N 3.24Å; S636-M638 VanDerWaalsContact C-N 3.35Å; M638-T642 HydrophobicContact CB-CG2 4.24Å; M638-T642 HydrophobicContact SD-CG2 3.63Å; M638-R643 HydrophobicContact CB-CG 4.33Å; M638-R643 PolarHBondContact O-NE 2.78Å; M638-I693 HydrophobicContact CE-CG2 3.19Å; M638-I693 HydrophobicContact SD-CG2 3.5Å; M638-I693 WeakPolarHBondContact SD-CG2 3.41Å
639T96.8Very high94.5Very high36 Ų3671.4 Ų71.422%0.22135%0.352CS..  trans-55.1155.1174.368.60000111.9E620 C622 D623 S641 T642 R643E620-T639 WeakPolarHBondContact CG-OG1 3.4Å; C622-T639 WeakPolarHBondContact SG-CG2 3.1Å; D623-T639 PolarHBondContact OD1-N 3.43Å; D623-T639 WeakPolarHBondContact OD2-CB 3.1Å; D623-T639 WeakPolarHBondContact OD2-CG2 3.33Å; D623-T639 PolarHBondContact OD2-N 2.8Å; D623-T639 PolarHBondContact OD2-OG1 3.07Å; T639-S641 PolarHBondContact O-N 2.97Å; T639-T642 PolarHBondContact O-N 3.06Å; T639-T642 PolarHBondContact OG1-N 3.06Å; T639-T642 PolarHBondContact OG1-OG1 2.76Å; T639-R643 WeakPolarHBondContact O-CG 3.26Å; T639-R643 PolarHBondContact O-N 2.72Å
640E96.4Very high94.6Very high104 Ų10469.3 Ų69.349%0.48635%0.352SS..Hα-helixtrans-61.2-35.7178-174.2169.8-172.300112.4R643 R644E640-R643 PolarHBondContact O-N 2.81Å; E640-R644 HydrophobicContact CG-CG 4.35Å; E640-R644 WeakPolarHBondContact O-CB 3.47Å; E640-R644 VanDerWaalsContact O-CG 3.29Å; E640-R644 WeakPolarHBondContact O-CG 3.49Å; E640-R644 PolarHBondContact O-N 3.08Å; E640-R644 IonicContact OE1-CZ 3.25Å; E640-R644 VanDerWaalsContact OE1-CZ 3.28Å; E640-R644 IonicContact OE1-NE 3.84Å; E640-R644 PolarHBondContact OE1-NE 2.65Å; E640-R644 IonicContact OE1-NH2 2.65Å; E640-R644 PolarHBondContact OE1-NH2 3.49Å
641S95.9Very high94.7Very high48 Ų4865.3 Ų65.334%0.33634%0.336SS..Hα-helixtrans-57.6-53.7174.9178.60000111.5E620 T639 R643 R644 Q645E620-S641 WeakPolarHBondContact OE1-CB 3.34Å; E620-S641 PolarHBondContact OE1-OG 2.84Å; T639-S641 PolarHBondContact O-N 2.97Å; S641-R643 PolarHBondContact O-N 3.14Å; S641-R644 PolarHBondContact O-N 2.69Å; S641-Q645 WeakPolarHBondContact O-CG 3.33Å; S641-Q645 PolarHBondContact O-N 3.27Å; S641-Q645 VanDerWaalsContact O-N 3.07Å
642T96Very high95Very high1 Ų160.9 Ų60.91%0.00632%0.316CS..Hα-helixtrans-64.1-39.8178.7-60.80000112.2V614 L616 D623 M638 T639 Q645 C646V614-T642 HydrophobicContact CG1-CG2 4.21Å; L616-T642 HydrophobicContact CD2-CG2 4.16Å; L616-T642 WeakPolarHBondContact CD2-OG1 3.35Å; D623-T642 WeakPolarHBondContact OD2-CB 3.26Å; D623-T642 PolarHBondContact OD2-OG1 2.82Å; M638-T642 HydrophobicContact CB-CG2 4.24Å; M638-T642 HydrophobicContact SD-CG2 3.63Å; T639-T642 PolarHBondContact O-N 3.06Å; T639-T642 PolarHBondContact OG1-N 3.06Å; T639-T642 PolarHBondContact OG1-OG1 2.76Å; T642-Q645 PolarHBondContact O-N 3.16Å; T642-C646 WeakPolarHBondContact O-CB 3.43Å; T642-C646 PolarHBondContact O-N 2.85Å; T642-C646 PolarHBondContact O-SG 2.86Å
643R96.1Very high95.2Very high88 Ų8855.5 Ų55.533%0.33229%0.289SS..Hα-helixtrans-60.3-49.4175.4-77-170-73.9140.3-0.9112.1L635 M638 T639 E640 S641 Q645 C646 E647L635-R643 HydrophobicContact CB-CG 4.45Å; L635-R643 WeakPolarHBondContact O-CD 3.21Å; L635-R643 WeakPolarHBondContact O-CG 3.23Å; M638-R643 HydrophobicContact CB-CG 4.33Å; M638-R643 PolarHBondContact O-NE 2.78Å; T639-R643 WeakPolarHBondContact O-CG 3.26Å; T639-R643 PolarHBondContact O-N 2.72Å; E640-R643 PolarHBondContact O-N 2.81Å; S641-R643 PolarHBondContact O-N 3.14Å; R643-Q645 VanDerWaalsContact C-N 3.3Å; R643-Q645 PolarHBondContact O-N 2.91Å; R643-C646 CarbonylContact O-C 3.59Å; R643-C646 PolarHBondContact O-N 2.86Å; R643-E647 WeakPolarHBondContact O-CG 3.41Å; R643-E647 PolarHBondContact O-N 3.34Å
644R95.2Very high95.3Very high145 Ų14555.2 Ų55.255%0.54729%0.287SS..Hα-helixtrans-60.4-38.8177.9-73.5176.8-177-1762.2112.2E640 S641 N648E640-R644 HydrophobicContact CG-CG 4.35Å; E640-R644 WeakPolarHBondContact O-CB 3.47Å; E640-R644 VanDerWaalsContact O-CG 3.29Å; E640-R644 WeakPolarHBondContact O-CG 3.49Å; E640-R644 PolarHBondContact O-N 3.08Å; E640-R644 IonicContact OE1-CZ 3.25Å; E640-R644 VanDerWaalsContact OE1-CZ 3.28Å; E640-R644 IonicContact OE1-NE 3.84Å; E640-R644 PolarHBondContact OE1-NE 2.65Å; E640-R644 IonicContact OE1-NH2 2.65Å; E640-R644 PolarHBondContact OE1-NH2 3.49Å; S641-R644 PolarHBondContact O-N 2.69Å; R644-N648 PolarHBondContact O-ND2 3.39Å
645Q95Very high95.2Very high39 Ų3951 Ų5118%0.18227%0.266CS..Hα-helixtrans-60.4-49.5171.9-70.9-176.965.500110.8R615 S641 T642 R643 E647 N648 I649R615-Q645 PolarHBondContact O-NE2 2.87Å; R615-Q645 PolarHBondContact O-OE1 3.47Å; S641-Q645 WeakPolarHBondContact O-CG 3.33Å; S641-Q645 PolarHBondContact O-N 3.27Å; S641-Q645 VanDerWaalsContact O-N 3.07Å; T642-Q645 PolarHBondContact O-N 3.16Å; R643-Q645 VanDerWaalsContact C-N 3.3Å; R643-Q645 PolarHBondContact O-N 2.91Å; Q645-E647 VanDerWaalsContact C-N 3.34Å; Q645-E647 PolarHBondContact O-N 2.83Å; Q645-N648 PolarHBondContact O-N 2.71Å; Q645-I649 WeakPolarHBondContact O-CD1 3.37Å; Q645-I649 VanDerWaalsContact O-CG1 3.28Å; Q645-I649 WeakPolarHBondContact O-CG1 3.38Å
646C94.2Very high95.3Very high0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-69.9-24.3-177.9-66.10000114.6L635 T642 R643 N648 I649 R688L635-C646 HydrophobicContact CD1-CB 4.06Å; L635-C646 HydrophobicContact CD2-CB 3.75Å; T642-C646 WeakPolarHBondContact O-CB 3.43Å; T642-C646 PolarHBondContact O-N 2.85Å; T642-C646 PolarHBondContact O-SG 2.86Å; R643-C646 CarbonylContact O-C 3.59Å; R643-C646 PolarHBondContact O-N 2.86Å; C646-N648 VanDerWaalsContact C-N 3.33Å; C646-I649 PolarHBondContact O-N 2.93Å; C646-R688 PolarHBondContact O-NE 3.24Å; C646-R688 PolarHBondContact O-NH2 2.93Å
647E92.6Very high95.2Very high127 Ų12746 Ų4659%0.59323%0.232SC*.Hα-helixtrans-67.2-35.6174.1-78.8168.3-177.500111.6R643 Q645 I649R643-E647 WeakPolarHBondContact O-CG 3.41Å; R643-E647 PolarHBondContact O-N 3.34Å; Q645-E647 VanDerWaalsContact C-N 3.34Å; Q645-E647 PolarHBondContact O-N 2.83Å; E647-I649 PolarHBondContact O-N 2.78Å
648N90.8Very high95Very high142 Ų14240.5 Ų40.576%0.75920%0.203SC*.THydrogen-bonded Turntrans-79.9-3178-66.7-43.6000113.7R644 Q645 C646R644-N648 PolarHBondContact O-ND2 3.39Å; Q645-N648 PolarHBondContact O-N 2.71Å; C646-N648 VanDerWaalsContact C-N 3.33Å
649I94Very high94.8Very high12 Ų1243 Ų436%0.06222%0.219CC..SBendtrans-111.1124.3-176.4-59172.6000108.9D611 V614 Q645 C646 E647 I654 R688D611-I649 WeakPolarHBondContact O-CD1 3.36Å; D611-I649 VanDerWaalsContact O-CG1 3.31Å; D611-I649 WeakPolarHBondContact O-CG1 3.32Å; V614-I649 HydrophobicContact CG2-CD1 3.74Å; Q645-I649 WeakPolarHBondContact O-CD1 3.37Å; Q645-I649 VanDerWaalsContact O-CG1 3.28Å; Q645-I649 WeakPolarHBondContact O-CG1 3.38Å; C646-I649 PolarHBondContact O-N 2.93Å; E647-I649 PolarHBondContact O-N 2.78Å; I649-I654 HydrophobicContact CG2-CG2 3.85Å; I649-R688 HydrophobicContact CB-CG 4.46Å; I649-R688 HydrophobicContact CG2-CB 4.41Å; I649-R688 HydrophobicContact CG2-CG 4.28Å; I649-R688 WeakPolarHBondContact O-CD 3.47Å; I649-R688 PolarHBondContact O-NE 3.11Å; I649-R688 PolarHBondContact O-NH2 3.11Å
650S93.8Very high94.2Very high73 Ų7342.2 Ų42.251%0.5121%0.214SC..  trans-66.6152.6173.160.60000111.4R612 G652R612-S650 PolarHBondContact NH1-O 2.9Å; R612-S650 PolarHBondContact NH1-OG 2.84Å; R612-S650 PolarHBondContact NH2-OG 3.05Å; S650-G652 PolarHBondContact O-N 3.48Å
651S94.7Very high93.4Very high24 Ų2439.6 Ų39.617%0.16820%0.204CC..SBendtrans-54.4140177.6-64.10000112.1Q588 R688Q588-S651 VanDerWaalsContact OE1-CB 3.31Å; Q588-S651 PolarHBondContact OE1-OG 3.18Å; S651-R688 CarbonylContact C-O 3.54Å; S651-R688 WeakPolarHBondContact CA-O 3.33Å; S651-R688 PolarHBondContact OG-NH1 2.91Å; S651-R688 VanDerWaalsContact OG-NH1 3.16Å
652G96.1Very high91.8Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans142.4-171.8179.600000114.1S650 R688S650-G652 PolarHBondContact O-N 3.48Å; G652-R688 PolarHBondContact N-O 2.94Å; G652-R688 PolarHBondContact O-N 3.28Å
653P97Very high89.9Confident0 Ų050.1 Ų50.10%027%0.266CS..EExtended strand (participates in β ladder)trans-55.9136.5175.9-30.337.4000114.1Y516 Y517 F589 R593 W687Y516-P653 HydrophobicContact CE1-CB 4.19Å; Y516-P653 WeakPolarHBondContact OH-CD 3.38Å; Y516-P653 PolarHBondContact OH-O 3.35Å; Y517-P653 WeakPolarHBondContact OH-CB 3.38Å; F589-P653 VanDerWaalsContact CD1-CD 3.41Å; F589-P653 HydrophobicContact CD1-CG 3.85Å; F589-P653 VanDerWaalsContact CE1-CD 3.45Å; F589-P653 HydrophobicContact CE1-CG 3.47Å; F589-P653 VanDerWaalsContact CE1-CG 3.47Å; F589-P653 HydrophobicContact CZ-CG 3.95Å; R593-P653 HydrophobicContact CB-CB 4.15Å; R593-P653 HydrophobicContact CB-CG 3.79Å; R593-P653 HydrophobicContact CG-CB 3.99Å; R593-P653 HydrophobicContact CG-CG 4.05Å; P653-W687 VanDerWaalsContact CD-CZ3 3.44Å; P653-W687 HydrophobicContact CG-CE3 3.91Å; P653-W687 HydrophobicContact CG-CH2 4.42Å; P653-W687 HydrophobicContact CG-CZ3 3.6Å
654I96.7Very high87.9Confident1 Ų149.6 Ų49.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-140.3164.8174.357.2163000111R612 V614 I649 I656 G686 R688 I693R612-I654 CarbonylContact O-C 3.55Å; R612-I654 WeakPolarHBondContact O-CA 3.33Å; R612-I654 WeakPolarHBondContact O-CB 3.42Å; V614-I654 HydrophobicContact CB-CD1 4.5Å; V614-I654 HydrophobicContact CG2-CD1 3.69Å; I649-I654 HydrophobicContact CG2-CG2 3.85Å; I654-I656 HydrophobicContact CD1-CD1 4.43Å; I654-I656 HydrophobicContact CD1-CG1 3.98Å; I654-G686 PolarHBondContact N-O 3.33Å; I654-G686 PolarHBondContact O-N 3.36Å; I654-R688 HydrophobicContact CD1-CB 4.08Å; I654-R688 HydrophobicContact CG1-CB 4.35Å; I654-R688 HydrophobicContact CG2-CB 3.85Å; I654-I693 HydrophobicContact CD1-CD1 3.61Å; I654-I693 HydrophobicContact CD1-CG1 3.9Å
655L95.7Very high85.9Confident0 Ų045.4 Ų45.40%025%0.253CS..EExtended strand (participates in β ladder)trans-102.7136.6163-74.177.1000108.5Y517 V594 I599 I606 R612 R613 V614 V683Y517-L655 HydrophobicContact CD1-CD1 4.23Å; Y517-L655 HydrophobicContact CE1-CD1 3.9Å; V594-L655 HydrophobicContact CG2-CD1 4.28Å; I599-L655 HydrophobicContact CD1-CD2 3.89Å; I599-L655 HydrophobicContact CD1-CG 4.08Å; I606-L655 HydrophobicContact CD1-CD1 3.76Å; I606-L655 HydrophobicContact CD1-CD2 4.08Å; R612-L655 PolarHBondContact O-N 2.92Å; R613-L655 CarbonylContact C-O 3.57Å; R613-L655 WeakPolarHBondContact CA-O 3.38Å; R613-L655 HydrophobicContact CG-CB 4.49Å; V614-L655 PolarHBondContact N-O 3.42Å; L655-V683 HydrophobicContact CD2-CG1 4.29Å
656I95.6Very high83.8Confident0 Ų048.2 Ų48.20%027%0.273CS..EExtended strand (participates in β ladder)trans-106.4127.8171.5-59.3165.1000106.9L616 L627 I654 V683 F684 I693L616-I656 HydrophobicContact CD1-CG2 3.94Å; L616-I656 HydrophobicContact CG-CG2 4.46Å; L627-I656 HydrophobicContact CD1-CD1 4.25Å; L627-I656 HydrophobicContact CD1-CG2 3.96Å; L627-I656 HydrophobicContact CD2-CD1 4.1Å; I654-I656 HydrophobicContact CD1-CD1 4.43Å; I654-I656 HydrophobicContact CD1-CG1 3.98Å; I656-V683 WeakPolarHBondContact O-CA 3.34Å; I656-F684 HydrophobicContact CB-CD2 3.82Å; I656-F684 HydrophobicContact CB-CE2 3.51Å; I656-F684 HydrophobicContact CB-CZ 3.94Å; I656-F684 HydrophobicContact CD1-CD2 3.99Å; I656-F684 HydrophobicContact CD1-CE2 3.54Å; I656-F684 HydrophobicContact CG1-CD2 4.42Å; I656-F684 HydrophobicContact CG1-CE2 4.11Å; I656-F684 HydrophobicContact CG2-CD2 4.34Å; I656-F684 HydrophobicContact CG2-CE1 4.27Å; I656-F684 HydrophobicContact CG2-CE2 3.57Å; I656-F684 HydrophobicContact CG2-CZ 3.51Å; I656-F684 PolarHBondContact N-O 3.33Å; I656-F684 PolarHBondContact O-N 3.48Å; I656-I693 HydrophobicContact CD1-CD1 3.74Å; I656-I693 HydrophobicContact CD1-CG1 3.93Å; I656-I693 HydrophobicContact CG1-CD1 4Å
657D94.1Very high81.9Confident2 Ų253.5 Ų53.51%0.01131%0.31CS..EExtended strand (participates in β ladder)trans-133.8104.6-168.4-175.1-9.2000110.1R613 V614 R615 L616 T659 R681R613-D657 WeakPolarHBondContact CD-OD2 3.41Å; R613-D657 HydrophobicContact CG-CB 4.01Å; R613-D657 IonicContact CZ-OD2 3.31Å; R613-D657 IonicContact NE-OD2 3.34Å; R613-D657 IonicContact NH1-OD2 2.79Å; R613-D657 PolarHBondContact NH1-OD2 3.36Å; V614-D657 PolarHBondContact O-N 3.44Å; R615-D657 CarbonylContact C-O 3.59Å; R615-D657 WeakPolarHBondContact CA-O 3.44Å; L616-D657 PolarHBondContact N-O 3.19Å; D657-T659 PolarHBondContact OD1-OG1 3.17Å; D657-R681 WeakPolarHBondContact OD1-CG 3.48Å; D657-R681 IonicContact OD1-CZ 3.66Å; D657-R681 IonicContact OD1-NE 2.68Å; D657-R681 PolarHBondContact OD1-NE 2.97Å; D657-R681 IonicContact OD1-NH2 2.7Å; D657-R681 IonicContact OD2-CZ 3.56Å; D657-R681 IonicContact OD2-NE 3.74Å; D657-R681 PolarHBondContact OD2-NE 3.49Å; D657-R681 IonicContact OD2-NH2 3.98Å; D657-R681 PolarHBondContact OD2-NH2 3.47Å
658Y93.2Very high79.8Confident0 Ų053.7 Ų53.70%032%0.315CS..EExtended strand (participates in β ladder)trans-90.4119.7170.3174.7-89.8000109.6L616 T617 L624 P660 P678 R681 L682L616-Y658 HydrophobicContact CB-CD2 4Å; L616-Y658 CarbonylContact O-C 3.54Å; L616-Y658 WeakPolarHBondContact O-CA 3.46Å; T617-Y658 WeakPolarHBondContact O-CE2 3.33Å; L624-Y658 HydrophobicContact CB-CD2 4.29Å; L624-Y658 HydrophobicContact CD2-CD1 4.18Å; L624-Y658 HydrophobicContact CD2-CD2 3.69Å; L624-Y658 HydrophobicContact CD2-CE2 4.05Å; L624-Y658 HydrophobicContact CD2-CG 3.74Å; L624-Y658 HydrophobicContact CG-CD2 4.48Å; Y658-P660 HydrophobicContact CE1-CB 4.2Å; Y658-P678 HydrophobicContact CD1-CB 4.28Å; Y658-P678 HydrophobicContact CD1-CG 4.28Å; Y658-P678 HydrophobicContact CE1-CB 3.59Å; Y658-P678 HydrophobicContact CE1-CG 3.57Å; Y658-P678 HydrophobicContact CE2-CG 4.33Å; Y658-P678 WeakPolarHBondContact OH-CD 3.16Å; Y658-P678 PolarHBondContact OH-O 3.23Å; Y658-R681 CarbonylContact O-C 3.57Å; Y658-R681 WeakPolarHBondContact O-CA 3.48Å; Y658-R681 VanDerWaalsContact O-CG 3.23Å; Y658-R681 WeakPolarHBondContact O-CG 3.31Å; Y658-L682 HydrophobicContact CD1-CG 4.44Å; Y658-L682 PolarHBondContact N-O 3.05Å; Y658-L682 PolarHBondContact O-N 3.29Å
659T90.4Very high77.9Confident61 Ų6150.2 Ų50.237%0.37430%0.296SS..  trans-118.1120.7175-640000109.9L616 T617 D657L616-T659 PolarHBondContact O-N 2.82Å; T617-T659 WeakPolarHBondContact CA-O 3.23Å; D657-T659 PolarHBondContact OD1-OG1 3.17Å
660P85.5Confident75.9Confident20 Ų2057.4 Ų57.413%0.1333%0.33CS..  trans-69.2149.6177.628.8-34.8000111.9Y658 V662 F665 P678Y658-P660 HydrophobicContact CE1-CB 4.2Å; P660-V662 PolarHBondContact O-N 3.32Å; P660-F665 HydrophobicContact CB-CE2 4.33Å; P660-P678 WeakPolarHBondContact CB-O 3.26Å
661N78.5Confident73.9Confident49 Ų4957.7 Ų57.726%0.26233%0.332SS..  trans-73.4119.1171.1-68-26.9000109.9S618 T663 E664S618-N661 WeakPolarHBondContact CB-ND2 3.15Å; S618-N661 PolarHBondContact OG-N 3.46Å; N661-T663 PolarHBondContact O-N 3.24Å; N661-E664 HydrophobicContact CB-CG 4.08Å; N661-E664 WeakPolarHBondContact CB-OE1 3.25Å; N661-E664 PolarHBondContact ND2-OE1 2.85Å; N661-E664 PolarHBondContact O-N 3.43Å
662V63.4Low71.6Confident132 Ų13261.6 Ų61.680%0.834%0.343SS*.G310 helixtrans-60.9-28.2-177.1-178.60000112.5P660 E664P660-V662 PolarHBondContact O-N 3.32Å; V662-E664 PolarHBondContact O-N 2.92Å
663T56.4Low69.6Low138 Ų13865.2 Ų65.285%0.84737%0.365SS*.G310 helixtrans-68.3-11.4-179.346.90000114.6N661N661-T663 PolarHBondContact O-N 3.24Å
664E52.4Low67.4Low77 Ų7769.7 Ų69.736%0.3640%0.395SS..G310 helixtrans-88.9-6.4-174.1-69.5168.8-168.300113.8S618 N661 V662 L677S618-E664 WeakPolarHBondContact CB-OE1 3.49Å; S618-E664 WeakPolarHBondContact CB-OE2 3.15Å; S618-E664 PolarHBondContact OG-OE1 3.12Å; S618-E664 PolarHBondContact OG-OE2 2.95Å; N661-E664 HydrophobicContact CB-CG 4.08Å; N661-E664 WeakPolarHBondContact CB-OE1 3.25Å; N661-E664 PolarHBondContact ND2-OE1 2.85Å; N661-E664 PolarHBondContact O-N 3.43Å; V662-E664 PolarHBondContact O-N 2.92Å; E664-L677 WeakPolarHBondContact OE2-CD1 3.17Å
665F53.8Low65.4Low57 Ų5776.4 Ų76.425%0.2543%0.431CS..  trans-134120.3-173.5-53.9-71.6000112.7P660 L677 R679P660-F665 HydrophobicContact CB-CE2 4.33Å; F665-L677 HydrophobicContact CZ-CB 4.36Å; F665-R679 HydrophobicContact CD1-CG 3.88Å; F665-R679 HydrophobicContact CD2-CG 4.46Å; F665-R679 HydrophobicContact CE1-CG 3.53Å; F665-R679 HydrophobicContact CE2-CG 4.14Å; F665-R679 HydrophobicContact CG-CG 4.34Å; F665-R679 HydrophobicContact CZ-CB 4.47Å; F665-R679 HydrophobicContact CZ-CG 3.67Å
666T50.9Low64.2Low98 Ų9877.2 Ų77.260%0.60144%0.437SS*.  trans-79.6146.6155.454.20000108.3D668 D669T666-D668 PolarHBondContact O-N 3.46Å; T666-D669 PolarHBondContact O-N 2.74Å
667S54Low63.6Low110 Ų11079.2 Ų79.277%0.76945%0.447SS*.THydrogen-bonded Turntrans-52.3-25.1-174.244.40000114.5
668D48.7Very low63.2Low131 Ų13179.1 Ų79.170%0.70145%0.447SS*.THydrogen-bonded Turntrans-124.522.1-167.6-54.5-56.9000113.2T666 E670T666-D668 PolarHBondContact O-N 3.46Å; D668-E670 VanDerWaalsContact C-N 3.32Å; D668-E670 PolarHBondContact O-N 3.1Å
669D51.2Low62.6Low69 Ų6982 Ų8237%0.36946%0.458SS..  trans-70.791.9173.1-150.3-15.8000110.2T666 S671 R679T666-D669 PolarHBondContact O-N 2.74Å; D669-S671 PolarHBondContact O-N 3.42Å; D669-S671 PolarHBondContact OD1-N 2.86Å; D669-S671 PolarHBondContact OD1-OG 3.48Å; D669-R679 PolarHBondContact O-NH1 3.12Å; D669-R679 PolarHBondContact O-NH2 2.72Å
670E51.7Low62.4Low164 Ų16479.7 Ų79.777%0.76644%0.444SS*.  trans-74.5-8.5178.1-66.9-165.114900112.9D668 W672D668-E670 VanDerWaalsContact C-N 3.32Å; D668-E670 PolarHBondContact O-N 3.1Å; E670-W672 VanDerWaalsContact C-N 3.3Å; E670-W672 PolarHBondContact O-N 3.48Å
671S51.3Low62.5Low79 Ų7980.2 Ų80.255%0.55244%0.443SS*.  trans-74.479.7-179.969.80000111.5D669D669-S671 PolarHBondContact O-N 3.42Å; D669-S671 PolarHBondContact OD1-N 2.86Å; D669-S671 PolarHBondContact OD1-OG 3.48Å
672W47.7Very low63.1Low105 Ų10577.9 Ų77.940%0.39843%0.431SS..  trans-80.7125176.5-175.778.3000111.4E670E670-W672 VanDerWaalsContact C-N 3.3Å; E670-W672 PolarHBondContact O-N 3.48Å
673T53.8Low64.5Low77 Ų7772.4 Ų72.447%0.47240%0.398SS..  trans-126.2158.9169.267.30000110.8D675 S676T673-D675 PolarHBondContact O-N 3.05Å; T673-S676 PolarHBondContact N-OG 3Å; T673-S676 WeakPolarHBondContact O-CB 3.43Å; T673-S676 PolarHBondContact O-N 3.3Å; T673-S676 VanDerWaalsContact O-N 3.1Å; T673-S676 PolarHBondContact O-OG 3.5Å
674C50.3Low66.3Low94 Ų9465.9 Ų65.964%0.63536%0.357SS*.THydrogen-bonded Turntrans-58.1-16.7175.5-73.10000114S676C674-S676 VanDerWaalsContact C-N 3.35Å
675D54.6Low68.4Low142 Ų14262.2 Ų62.276%0.75934%0.341SS*.THydrogen-bonded Turntrans-91.57.1-180-59.7-41.7000113.4T673 L677T673-D675 PolarHBondContact O-N 3.05Å; D675-L677 PolarHBondContact O-N 2.55Å
676S72Confident70.4Confident17 Ų1759.5 Ų59.512%0.11933%0.329CS..PPolyproline II helixtrans-65.5132.9-177.6-59.30000111.8T673 C674 N710T673-S676 PolarHBondContact N-OG 3Å; T673-S676 WeakPolarHBondContact O-CB 3.43Å; T673-S676 PolarHBondContact O-N 3.3Å; T673-S676 VanDerWaalsContact O-N 3.1Å; T673-S676 PolarHBondContact O-OG 3.5Å; C674-S676 VanDerWaalsContact C-N 3.35Å; S676-N710 PolarHBondContact O-ND2 3.38Å
677L82.7Confident72.6Confident42 Ų4256 Ų5622%0.2230%0.304CS..PPolyproline II helixtrans-72.2152.2172.5-69.1169.7000111.6Y621 E664 F665 D675 R679Y621-L677 HydrophobicContact CD1-CD2 3.55Å; Y621-L677 HydrophobicContact CD2-CD2 3.89Å; Y621-L677 HydrophobicContact CE1-CD2 4.16Å; Y621-L677 HydrophobicContact CE2-CD2 4.49Å; Y621-L677 HydrophobicContact CG-CD2 3.39Å; E664-L677 WeakPolarHBondContact OE2-CD1 3.17Å; F665-L677 HydrophobicContact CZ-CB 4.36Å; D675-L677 PolarHBondContact O-N 2.55Å; L677-R679 PolarHBondContact O-N 2.89Å
678P84.2Confident74.6Confident0 Ų052.2 Ų52.20%027%0.273CS..PPolyproline II helixtrans-58.2129.8174-4.14.9000110.7Y621 L624 Y658 P660 A709Y621-P678 HydrophobicContact CD2-CG 3.91Å; Y621-P678 VanDerWaalsContact CE2-CD 3.43Å; Y621-P678 HydrophobicContact CE2-CG 3.81Å; L624-P678 HydrophobicContact CD2-CG 3.78Å; Y658-P678 HydrophobicContact CD1-CB 4.28Å; Y658-P678 HydrophobicContact CD1-CG 4.28Å; Y658-P678 HydrophobicContact CE1-CB 3.59Å; Y658-P678 HydrophobicContact CE1-CG 3.57Å; Y658-P678 HydrophobicContact CE2-CG 4.33Å; Y658-P678 WeakPolarHBondContact OH-CD 3.16Å; Y658-P678 PolarHBondContact OH-O 3.23Å; P660-P678 WeakPolarHBondContact CB-O 3.26Å; P678-A709 HydrophobicContact CG-CB 4.04Å
679R81.6Confident76.7Confident60 Ų6046.3 Ų46.323%0.22624%0.243CC..  trans-91.7-8.8-175.1-64.5-171.5174.7-166.60.9114.6F665 D669 L677F665-R679 HydrophobicContact CD1-CG 3.88Å; F665-R679 HydrophobicContact CD2-CG 4.46Å; F665-R679 HydrophobicContact CE1-CG 3.53Å; F665-R679 HydrophobicContact CE2-CG 4.14Å; F665-R679 HydrophobicContact CG-CG 4.34Å; F665-R679 HydrophobicContact CZ-CB 4.47Å; F665-R679 HydrophobicContact CZ-CG 3.67Å; D669-R679 PolarHBondContact O-NH1 3.12Å; D669-R679 PolarHBondContact O-NH2 2.72Å; L677-R679 PolarHBondContact O-N 2.89Å
680C85.7Confident78.7Confident13 Ų1346 Ų469%0.08825%0.25CS..SBendtrans-125.8157.7-179.164.50000110.9
681R87.9Confident80.7Confident31 Ų3145.9 Ų45.912%0.11725%0.247CC..  trans-70.6135.8179-173.1177.8172-134.3-0.5109.9D603 D657 Y658 V683D603-R681 VanDerWaalsContact CG-NH2 3.32Å; D603-R681 IonicContact OD1-CZ 3.66Å; D603-R681 IonicContact OD1-NH1 2.73Å; D603-R681 IonicContact OD1-NH2 3.93Å; D603-R681 PolarHBondContact OD1-NH2 2.86Å; D603-R681 IonicContact OD2-CZ 3.36Å; D603-R681 IonicContact OD2-NH1 2.74Å; D603-R681 PolarHBondContact OD2-NH1 2.85Å; D603-R681 IonicContact OD2-NH2 2.87Å; D603-R681 PolarHBondContact OD2-NH2 3Å; D603-R681 VanDerWaalsContact OD2-NH2 3.08Å; D657-R681 WeakPolarHBondContact OD1-CG 3.48Å; D657-R681 IonicContact OD1-CZ 3.66Å; D657-R681 IonicContact OD1-NE 2.68Å; D657-R681 PolarHBondContact OD1-NE 2.97Å; D657-R681 IonicContact OD1-NH2 2.7Å; D657-R681 IonicContact OD2-CZ 3.56Å; D657-R681 IonicContact OD2-NE 3.74Å; D657-R681 PolarHBondContact OD2-NE 3.49Å; D657-R681 IonicContact OD2-NH2 3.98Å; D657-R681 PolarHBondContact OD2-NH2 3.47Å; Y658-R681 CarbonylContact O-C 3.57Å; Y658-R681 WeakPolarHBondContact O-CA 3.48Å; Y658-R681 VanDerWaalsContact O-CG 3.23Å; Y658-R681 WeakPolarHBondContact O-CG 3.31Å; R681-V683 HydrophobicContact CG-CG2 4.04Å
682L91.9Very high82.8Confident0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-120.4120177.4-53177.1000108.5Q62 L624 Y658 F705 L708 A709Q62-L682 HydrophobicContact CG-CD2 4.45Å; L624-L682 HydrophobicContact CD1-CD1 4.45Å; L624-L682 HydrophobicContact CD2-CD1 4.03Å; Y658-L682 HydrophobicContact CD1-CG 4.44Å; Y658-L682 PolarHBondContact N-O 3.05Å; Y658-L682 PolarHBondContact O-N 3.29Å; L682-F705 HydrophobicContact CD2-CD1 4.06Å; L682-F705 HydrophobicContact CD2-CE1 4.46Å; L682-L708 HydrophobicContact CD2-CB 4.25Å; L682-L708 HydrophobicContact CD2-CD1 3.72Å; L682-A709 HydrophobicContact CD1-CB 4.49Å
683V92.6Very high85Confident17 Ų1738 Ų3810%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-122.9130.8179.4-171.80000109.3I599 D603 L655 I656 R681I599-V683 HydrophobicContact CD1-CG1 4.14Å; I599-V683 HydrophobicContact CG1-CB 4.49Å; I599-V683 HydrophobicContact CG1-CG1 3.95Å; D603-V683 HydrophobicContact CB-CG1 4.23Å; L655-V683 HydrophobicContact CD2-CG1 4.29Å; I656-V683 WeakPolarHBondContact O-CA 3.34Å; R681-V683 HydrophobicContact CG-CG2 4.04Å
684F94.2Very high87Confident0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-146.6150.7176.845.9-88.9000112.5Q596 L624 L627 I656 H695 I697 F705Q596-F684 VanDerWaalsContact OE1-CA 3.27Å; L624-F684 HydrophobicContact CD1-CE1 3.97Å; L624-F684 HydrophobicContact CD1-CZ 4.04Å; L627-F684 HydrophobicContact CD1-CZ 4.44Å; I656-F684 HydrophobicContact CB-CD2 3.82Å; I656-F684 HydrophobicContact CB-CE2 3.51Å; I656-F684 HydrophobicContact CB-CZ 3.94Å; I656-F684 HydrophobicContact CD1-CD2 3.99Å; I656-F684 HydrophobicContact CD1-CE2 3.54Å; I656-F684 HydrophobicContact CG1-CD2 4.42Å; I656-F684 HydrophobicContact CG1-CE2 4.11Å; I656-F684 HydrophobicContact CG2-CD2 4.34Å; I656-F684 HydrophobicContact CG2-CE1 4.27Å; I656-F684 HydrophobicContact CG2-CE2 3.57Å; I656-F684 HydrophobicContact CG2-CZ 3.51Å; I656-F684 PolarHBondContact N-O 3.33Å; I656-F684 PolarHBondContact O-N 3.48Å; F684-H695 HydrophobicContact CD2-CB 3.87Å; F684-H695 HydrophobicContact CE2-CB 3.88Å; F684-I697 HydrophobicContact CB-CD1 3.93Å; F684-I697 HydrophobicContact CB-CG1 3.6Å; F684-I697 HydrophobicContact CD1-CD1 3.95Å; F684-I697 HydrophobicContact CD2-CD1 3.61Å; F684-I697 HydrophobicContact CD2-CG1 3.95Å; F684-I697 HydrophobicContact CE1-CD1 4.35Å; F684-I697 HydrophobicContact CE2-CD1 4.01Å; F684-I697 HydrophobicContact CG-CD1 3.57Å; F684-I697 HydrophobicContact CG-CG1 3.82Å; F684-I697 HydrophobicContact CZ-CD1 4.37Å; F684-F705 HydrophobicContact CB-CE2 4.03Å; F684-F705 HydrophobicContact CD1-CD2 4.18Å; F684-F705 HydrophobicContact CD1-CE2 4.03Å; F684-F705 HydrophobicContact CG-CE2 4.38Å
685S95.8Very high89.1Confident1 Ų134.5 Ų34.51%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-69143.3174.6178.70000110.7V594 Y696V594-S685 WeakPolarHBondContact O-CB 3.37Å; V594-S685 PolarHBondContact O-OG 2.79Å; S685-Y696 PolarHBondContact O-N 3.41Å
686G95.9Very high90.9Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-148.5-175.1178.200000113.8I654 R694I654-G686 PolarHBondContact N-O 3.33Å; I654-G686 PolarHBondContact O-N 3.36Å; G686-R694 CarbonylContact C-O 3.59Å; G686-R694 WeakPolarHBondContact CA-O 3.49Å
687W96.3Very high91.9Very high24 Ų2429.9 Ų29.99%0.09114%0.144CC..EExtended strand (participates in β ladder)trans-136.1126175.9-167.3-87.1000109.9V584 D586 F589 P653 I693 R694 Y696V584-W687 HydrophobicContact CG1-CH2 3.92Å; V584-W687 HydrophobicContact CG1-CZ3 3.95Å; D586-W687 HydrophobicContact CB-CH2 3.95Å; D586-W687 HydrophobicContact CB-CZ2 4.07Å; F589-W687 HydrophobicContact CB-CH2 3.78Å; F589-W687 HydrophobicContact CB-CZ2 3.98Å; F589-W687 AromaticContact CD1-CH2 3.75Å; F589-W687 HydrophobicContact CD1-CH2 3.75Å; F589-W687 HydrophobicContact CD1-CZ3 4.14Å; F589-W687 HydrophobicContact CG-CH2 4.1Å; P653-W687 VanDerWaalsContact CD-CZ3 3.44Å; P653-W687 HydrophobicContact CG-CE3 3.91Å; P653-W687 HydrophobicContact CG-CH2 4.42Å; P653-W687 HydrophobicContact CG-CZ3 3.6Å; W687-I693 CarbonylContact O-C 3.55Å; W687-I693 WeakPolarHBondContact O-CA 3.48Å; W687-R694 HydrophobicContact CB-CB 4.23Å; W687-R694 PolarHBondContact N-O 3.12Å; W687-R694 PolarHBondContact O-N 2.89Å; W687-Y696 HydrophobicContact CB-CE2 3.67Å; W687-Y696 HydrophobicContact CE3-CE2 4.25Å
688R95.7Very high92.3Very high31 Ų3129.7 Ų29.712%0.11715%0.152CC..EExtended strand (participates in β ladder)trans-85.5111.8168.4-169.8-85.8179.8-173.78.4107.9C646 I649 S651 G652 I654C646-R688 PolarHBondContact O-NE 3.24Å; C646-R688 PolarHBondContact O-NH2 2.93Å; I649-R688 HydrophobicContact CB-CG 4.46Å; I649-R688 HydrophobicContact CG2-CB 4.41Å; I649-R688 HydrophobicContact CG2-CG 4.28Å; I649-R688 WeakPolarHBondContact O-CD 3.47Å; I649-R688 PolarHBondContact O-NE 3.11Å; I649-R688 PolarHBondContact O-NH2 3.11Å; S651-R688 CarbonylContact C-O 3.54Å; S651-R688 WeakPolarHBondContact CA-O 3.33Å; S651-R688 PolarHBondContact OG-NH1 2.91Å; S651-R688 VanDerWaalsContact OG-NH1 3.16Å; G652-R688 PolarHBondContact N-O 2.94Å; G652-R688 PolarHBondContact O-N 3.28Å; I654-R688 HydrophobicContact CD1-CB 4.08Å; I654-R688 HydrophobicContact CG1-CB 4.35Å; I654-R688 HydrophobicContact CG2-CB 3.85Å
689G93.9Very high92.6Very high7 Ų734.6 Ų34.67%0.07217%0.171CC..  trans-90.4179.8171.100000112K691 S692G689-K691 VanDerWaalsContact C-N 3.33Å; G689-K691 PolarHBondContact O-N 3.23Å; G689-S692 CarbonylContact C-O 3.6Å; G689-S692 WeakPolarHBondContact CA-O 3.35Å; G689-S692 PolarHBondContact N-O 2.94Å
690A92Very high93Very high62 Ų6234.7 Ų34.751%0.51217%0.173SC..SBendtrans-64.7-34.5-179.200000113.8
691K93.8Very high93.3Very high162 Ų16235.4 Ų35.470%0.70418%0.175SC*.SBendtrans-135.76.5-179-64.5-174.5178.1-177.60113.1L634 L635 G689L634-K691 WeakPolarHBondContact CA-O 3.28Å; L635-K691 PolarHBondContact N-O 3.47Å; G689-K691 VanDerWaalsContact C-N 3.33Å; G689-K691 PolarHBondContact O-N 3.23Å
692S95.2Very high93.5Very high19 Ų1935.6 Ų35.613%0.13318%0.176CC..BIsolated β-bridgetrans-141.6163.2-173.259.70000110.5P633 G689P633-S692 VanDerWaalsContact O-CA 3.26Å; P633-S692 WeakPolarHBondContact O-CA 3.4Å; P633-S692 VanDerWaalsContact O-CB 3.26Å; P633-S692 WeakPolarHBondContact O-CB 3.5Å; G689-S692 CarbonylContact C-O 3.6Å; G689-S692 WeakPolarHBondContact CA-O 3.35Å; G689-S692 PolarHBondContact N-O 2.94Å
693I95.8Very high93.6Very high0 Ų036 Ų360%018%0.178CC..EExtended strand (participates in β ladder)trans-128.3133.1170.6-177.5169.9000107.3V614 L627 M632 P633 L635 M638 I654 I656 W687V614-I693 HydrophobicContact CG2-CD1 4.38Å; L627-I693 HydrophobicContact CD2-CG1 4.25Å; L627-I693 HydrophobicContact CD2-CG2 3.81Å; M632-I693 WeakPolarHBondContact CA-O 3.37Å; P633-I693 WeakPolarHBondContact CD-O 3.4Å; P633-I693 HydrophobicContact CG-CG2 4.04Å; P633-I693 PolarHBondContact O-N 3.21Å; P633-I693 VanDerWaalsContact O-N 3.11Å; L635-I693 HydrophobicContact CD2-CB 4.23Å; L635-I693 HydrophobicContact CD2-CG2 4.15Å; M638-I693 HydrophobicContact CE-CG2 3.19Å; M638-I693 HydrophobicContact SD-CG2 3.5Å; M638-I693 WeakPolarHBondContact SD-CG2 3.41Å; I654-I693 HydrophobicContact CD1-CD1 3.61Å; I654-I693 HydrophobicContact CD1-CG1 3.9Å; I656-I693 HydrophobicContact CD1-CD1 3.74Å; I656-I693 HydrophobicContact CD1-CG1 3.93Å; I656-I693 HydrophobicContact CG1-CD1 4Å; W687-I693 CarbonylContact O-C 3.55Å; W687-I693 WeakPolarHBondContact O-CA 3.48Å
694R94.8Very high93.6Very high92 Ų9235.3 Ų35.335%0.34717%0.173SC..EExtended strand (participates in β ladder)trans-117.8138.4-178.1178.7178.4-176.2-178.22.3109.8E631 M632 G686 W687 Y696E631-R694 HydrophobicContact CG-CG 4.33Å; E631-R694 VanDerWaalsContact O-CA 3.25Å; E631-R694 WeakPolarHBondContact O-CA 3.13Å; E631-R694 WeakPolarHBondContact O-CG 3.1Å; E631-R694 IonicContact OE1-CZ 3.3Å; E631-R694 VanDerWaalsContact OE1-CZ 3.23Å; E631-R694 IonicContact OE1-NE 2.67Å; E631-R694 PolarHBondContact OE1-NE 3.25Å; E631-R694 IonicContact OE1-NH2 3.79Å; E631-R694 PolarHBondContact OE1-NH2 3.42Å; M632-R694 HydrophobicContact CB-CB 4.19Å; M632-R694 HydrophobicContact CB-CG 4.34Å; M632-R694 HydrophobicContact CG-CB 4.09Å; G686-R694 CarbonylContact C-O 3.59Å; G686-R694 WeakPolarHBondContact CA-O 3.49Å; W687-R694 HydrophobicContact CB-CB 4.23Å; W687-R694 PolarHBondContact N-O 3.12Å; W687-R694 PolarHBondContact O-N 2.89Å; R694-Y696 HydrophobicContact CG-CE1 4.49Å
695H94.2Very high93.5Very high4 Ų435.4 Ų35.42%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-95.6152.117079.281.4000110.8L627 E631 F684 I697L627-H695 PolarHBondContact O-CD2 2.95Å; L627-H695 PolarHBondContact O-NE2 3.37Å; E631-H695 WeakPolarHBondContact CA-NE2 3.19Å; E631-H695 PolarHBondContact O-N 2.94Å; E631-H695 VanDerWaalsContact O-N 3.13Å; F684-H695 HydrophobicContact CD2-CB 3.87Å; F684-H695 HydrophobicContact CE2-CB 3.88Å; H695-I697 HydrophobicContact CB-CD1 4.04Å; H695-I697 HydrophobicContact CB-CG1 4.2Å; H695-I697 VanDerWaalsContact ND1-CB 3.33Å; H695-I697 WeakPolarHBondContact ND1-CB 3.16Å; H695-I697 WeakPolarHBondContact ND1-CD1 3.33Å; H695-I697 VanDerWaalsContact ND1-CG1 3.32Å; H695-I697 WeakPolarHBondContact ND1-CG1 3.33Å; H695-I697 PolarHBondContact ND1-N 2.8Å; H695-I697 VanDerWaalsContact ND1-N 3.16Å
696Y93.6Very high93.4Very high46 Ų4635.6 Ų35.618%0.1818%0.175CC..  trans-115.850.8175.2-68.1-64.3000111.5R593 Q596 S685 W687 R694R593-Y696 VanDerWaalsContact NH1-CE1 3.28Å; R593-Y696 VanDerWaalsContact NH1-CE2 3.32Å; R593-Y696 PolarHBondContact NH1-OH 2.93Å; Q596-Y696 WeakPolarHBondContact CB-O 3.16Å; S685-Y696 PolarHBondContact O-N 3.41Å; W687-Y696 HydrophobicContact CB-CE2 3.67Å; W687-Y696 HydrophobicContact CE3-CE2 4.25Å; R694-Y696 HydrophobicContact CG-CE1 4.49Å
697I92.3Very high93.1Very high17 Ų1737.2 Ų37.29%0.08718%0.181CC..  trans-93134-179.8-52.2160.3000108.3L628 F684 H695 E701 R702 F705L628-I697 HydrophobicContact CD2-CD1 3.91Å; F684-I697 HydrophobicContact CB-CD1 3.93Å; F684-I697 HydrophobicContact CB-CG1 3.6Å; F684-I697 HydrophobicContact CD1-CD1 3.95Å; F684-I697 HydrophobicContact CD2-CD1 3.61Å; F684-I697 HydrophobicContact CD2-CG1 3.95Å; F684-I697 HydrophobicContact CE1-CD1 4.35Å; F684-I697 HydrophobicContact CE2-CD1 4.01Å; F684-I697 HydrophobicContact CG-CD1 3.57Å; F684-I697 HydrophobicContact CG-CG1 3.82Å; F684-I697 HydrophobicContact CZ-CD1 4.37Å; H695-I697 HydrophobicContact CB-CD1 4.04Å; H695-I697 HydrophobicContact CB-CG1 4.2Å; H695-I697 VanDerWaalsContact ND1-CB 3.33Å; H695-I697 WeakPolarHBondContact ND1-CB 3.16Å; H695-I697 WeakPolarHBondContact ND1-CD1 3.33Å; H695-I697 VanDerWaalsContact ND1-CG1 3.32Å; H695-I697 WeakPolarHBondContact ND1-CG1 3.33Å; H695-I697 PolarHBondContact ND1-N 2.8Å; H695-I697 VanDerWaalsContact ND1-N 3.16Å; I697-E701 HydrophobicContact CG2-CB 3.76Å; I697-E701 HydrophobicContact CG2-CG 3.78Å; I697-R702 HydrophobicContact CB-CB 4.31Å; I697-R702 HydrophobicContact CG2-CB 3.86Å; I697-R702 VanDerWaalsContact CG2-N 3.32Å; I697-F705 HydrophobicContact CD1-CD2 3.68Å; I697-F705 HydrophobicContact CD1-CE2 4.01Å; I697-F705 HydrophobicContact CG1-CD2 4.23Å; I697-F705 HydrophobicContact CG1-CE2 4.1Å; I697-F705 HydrophobicContact CG2-CD2 3.91Å; I697-F705 HydrophobicContact CG2-CE2 3.86Å
698G90.2Very high92.8Very high38 Ų3836.1 Ų36.139%0.39218%0.176SC..  trans-64.2154.9174.200000112F700 E701 R702G698-F700 VanDerWaalsContact C-N 3.34Å; G698-F700 PolarHBondContact O-N 2.87Å; G698-E701 PolarHBondContact O-N 3.38Å; G698-R702 WeakPolarHBondContact O-CB 3.39Å; G698-R702 PolarHBondContact O-N 3.19Å
699R90.2Very high92.6Very high102 Ų10234.6 Ų34.639%0.38517%0.171SC..Hα-helixtrans-48.5-50.3-178.3171.5174.3161-169-8.7113.7L703 I717R699-L703 PolarHBondContact O-N 3.23Å; R699-I717 VanDerWaalsContact CD-O 3.29Å; R699-I717 WeakPolarHBondContact CD-O 3.4Å; R699-I717 HydrophobicContact CG-CG2 4.07Å; R699-I717 PolarHBondContact NE-O 3.37Å
700F91.5Very high92.1Very high63 Ų6335.7 Ų35.728%0.27618%0.175SC..Hα-helixtrans-75.4-36.9-176.3-64.4-65.9000113.1E135 G698 R702 L703 H704E135-F700 HydrophobicContact CB-CB 3.97Å; E135-F700 HydrophobicContact CB-CD1 4.07Å; E135-F700 HydrophobicContact CB-CD2 3.34Å; E135-F700 HydrophobicContact CB-CE1 4.4Å; E135-F700 HydrophobicContact CB-CE2 3.73Å; E135-F700 HydrophobicContact CB-CG 3.53Å; E135-F700 HydrophobicContact CB-CZ 4.24Å; E135-F700 HydrophobicContact CG-CD2 3.97Å; E135-F700 HydrophobicContact CG-CE1 4.35Å; E135-F700 HydrophobicContact CG-CE2 3.78Å; E135-F700 HydrophobicContact CG-CG 4.32Å; E135-F700 HydrophobicContact CG-CZ 3.99Å; G698-F700 VanDerWaalsContact C-N 3.34Å; G698-F700 PolarHBondContact O-N 2.87Å; F700-R702 VanDerWaalsContact C-N 3.31Å; F700-R702 PolarHBondContact O-N 2.9Å; F700-L703 HydrophobicContact CD1-CD1 4.41Å; F700-L703 WeakPolarHBondContact O-CB 3.34Å; F700-L703 PolarHBondContact O-N 2.83Å; F700-H704 PolarHBondContact O-N 3.44Å; F700-H704 VanDerWaalsContact O-N 3.11Å
701E91.6Very high91.8Very high28 Ų2833.3 Ų33.313%0.13115%0.154CC..Hα-helixtrans-68.2-32.6175.7-172.3179.8-162.800111.9Q596 I697 G698 L703 H704 F705Q596-E701 WeakPolarHBondContact CG-OE1 3.34Å; Q596-E701 WeakPolarHBondContact CG-OE2 3.47Å; Q596-E701 PolarHBondContact NE2-OE1 2.59Å; I697-E701 HydrophobicContact CG2-CB 3.76Å; I697-E701 HydrophobicContact CG2-CG 3.78Å; G698-E701 PolarHBondContact O-N 3.38Å; E701-L703 VanDerWaalsContact C-N 3.34Å; E701-L703 PolarHBondContact O-N 3Å; E701-H704 WeakPolarHBondContact O-CB 3.46Å; E701-H704 PolarHBondContact O-N 3.19Å; E701-F705 HydrophobicContact CG-CE1 4.36Å; E701-F705 HydrophobicContact CG-CE2 3.99Å; E701-F705 HydrophobicContact CG-CZ 3.88Å; E701-F705 PolarHBondContact O-N 3.36Å
702R92.9Very high90.9Very high35 Ų3534 Ų3413%0.13216%0.159CC..Hα-helixtrans-63.3-41172.3-176.4178.4171.8-171.6-13111.3L628 K629 I697 G698 F700 H704 F705 M706L628-R702 PolarHBondContact O-NE 3.26Å; L628-R702 PolarHBondContact O-NH2 2.94Å; K629-R702 PolarHBondContact O-NH2 2.96Å; I697-R702 HydrophobicContact CB-CB 4.31Å; I697-R702 HydrophobicContact CG2-CB 3.86Å; I697-R702 VanDerWaalsContact CG2-N 3.32Å; G698-R702 WeakPolarHBondContact O-CB 3.39Å; G698-R702 PolarHBondContact O-N 3.19Å; F700-R702 VanDerWaalsContact C-N 3.31Å; F700-R702 PolarHBondContact O-N 2.9Å; R702-H704 VanDerWaalsContact C-N 3.31Å; R702-H704 PolarHBondContact O-N 3.23Å; R702-F705 PolarHBondContact O-N 3.33Å; R702-M706 HydrophobicContact CG-SD 4.36Å; R702-M706 WeakPolarHBondContact O-CB 3.22Å; R702-M706 VanDerWaalsContact O-CG 3.25Å; R702-M706 WeakPolarHBondContact O-CG 3.44Å; R702-M706 PolarHBondContact O-N 2.6Å
703L92.4Very high89.7Confident9 Ų935.1 Ų35.15%0.04717%0.166CC..Hα-helixtrans-62.1-39.8173.5-66.7173.1000111.7R699 F700 E701 M706 R707 P713 I717R699-L703 PolarHBondContact O-N 3.23Å; F700-L703 HydrophobicContact CD1-CD1 4.41Å; F700-L703 WeakPolarHBondContact O-CB 3.34Å; F700-L703 PolarHBondContact O-N 2.83Å; E701-L703 VanDerWaalsContact C-N 3.34Å; E701-L703 PolarHBondContact O-N 3Å; L703-M706 PolarHBondContact O-N 3.46Å; L703-R707 VanDerWaalsContact O-CG 3.3Å; L703-R707 WeakPolarHBondContact O-CG 3.36Å; L703-R707 PolarHBondContact O-N 3.09Å; L703-P713 HydrophobicContact CD2-CB 3.63Å; L703-I717 HydrophobicContact CD2-CB 4.26Å; L703-I717 HydrophobicContact CD2-CD1 4.05Å; L703-I717 HydrophobicContact CD2-CG2 4.22Å; L703-I717 HydrophobicContact CG-CG2 4.47Å
704H92.9Very high87.9Confident1 Ų138.1 Ų38.11%0.00519%0.187CC..Hα-helixtrans-60.4-50.6173.8171.667.7000111.6Q62 E133 N138 F700 E701 R702 M706 R707 L708Q62-H704 PolarHBondContact OE1-CD2 3.14Å; Q62-H704 PolarHBondContact OE1-NE2 2.75Å; E133-H704 IonicContact OE1-ND1 2.78Å; E133-H704 IonicContact OE2-CE1 2.81Å; E133-H704 IonicContact OE2-CG 3.68Å; E133-H704 IonicContact OE2-ND1 3.17Å; E133-H704 PolarHBondContact OE2-ND1 3.4Å; E133-H704 VanDerWaalsContact OE2-ND1 3.11Å; N138-H704 PolarHBondContact ND2-CD2 3.47Å; N138-H704 PolarHBondContact ND2-CE1 3.24Å; N138-H704 VanDerWaalsContact ND2-CE1 3.25Å; N138-H704 PolarHBondContact ND2-ND1 2.92Å; N138-H704 VanDerWaalsContact ND2-ND1 3.11Å; N138-H704 PolarHBondContact ND2-NE2 2.98Å; F700-H704 PolarHBondContact O-N 3.44Å; F700-H704 VanDerWaalsContact O-N 3.11Å; E701-H704 WeakPolarHBondContact O-CB 3.46Å; E701-H704 PolarHBondContact O-N 3.19Å; R702-H704 VanDerWaalsContact C-N 3.31Å; R702-H704 PolarHBondContact O-N 3.23Å; H704-M706 VanDerWaalsContact C-N 3.33Å; H704-M706 PolarHBondContact O-N 2.95Å; H704-R707 WeakPolarHBondContact O-CB 3.46Å; H704-R707 PolarHBondContact O-N 3.33Å; H704-R707 VanDerWaalsContact O-N 3.1Å; H704-L708 WeakPolarHBondContact NE2-CD1 3.41Å; H704-L708 WeakPolarHBondContact O-CG 3.5Å; H704-L708 PolarHBondContact O-N 3.33Å
705F93.2Very high85.8Confident3 Ų338.5 Ų38.51%0.01320%0.202CC..Hα-helixtrans-62.6-37.7176.9-65.6-20.7000113.1L628 L682 F684 I697 E701 R702 R707 L708 A709L628-F705 HydrophobicContact CD1-CB 4.17Å; L628-F705 HydrophobicContact CD2-CB 3.78Å; L628-F705 HydrophobicContact CD2-CD2 4.39Å; L682-F705 HydrophobicContact CD2-CD1 4.06Å; L682-F705 HydrophobicContact CD2-CE1 4.46Å; F684-F705 HydrophobicContact CB-CE2 4.03Å; F684-F705 HydrophobicContact CD1-CD2 4.18Å; F684-F705 HydrophobicContact CD1-CE2 4.03Å; F684-F705 HydrophobicContact CG-CE2 4.38Å; I697-F705 HydrophobicContact CD1-CD2 3.68Å; I697-F705 HydrophobicContact CD1-CE2 4.01Å; I697-F705 HydrophobicContact CG1-CD2 4.23Å; I697-F705 HydrophobicContact CG1-CE2 4.1Å; I697-F705 HydrophobicContact CG2-CD2 3.91Å; I697-F705 HydrophobicContact CG2-CE2 3.86Å; E701-F705 HydrophobicContact CG-CE1 4.36Å; E701-F705 HydrophobicContact CG-CE2 3.99Å; E701-F705 HydrophobicContact CG-CZ 3.88Å; E701-F705 PolarHBondContact O-N 3.36Å; R702-F705 PolarHBondContact O-N 3.33Å; F705-R707 VanDerWaalsContact C-N 3.31Å; F705-R707 PolarHBondContact O-N 2.93Å; F705-L708 HydrophobicContact CD1-CD1 4.49Å; F705-L708 PolarHBondContact O-N 3.23Å; F705-A709 WeakPolarHBondContact O-CB 3.48Å; F705-A709 PolarHBondContact O-N 2.73Å
706M92.6Very high83.3Confident5 Ų540.4 Ų40.43%0.02522%0.215CC..Hα-helixtrans-59.4-42173-73.817679.100111.7L628 R702 L703 H704 A709 N710 I711 I717L628-M706 HydrophobicContact CB-CG 4Å; R702-M706 HydrophobicContact CG-SD 4.36Å; R702-M706 WeakPolarHBondContact O-CB 3.22Å; R702-M706 VanDerWaalsContact O-CG 3.25Å; R702-M706 WeakPolarHBondContact O-CG 3.44Å; R702-M706 PolarHBondContact O-N 2.6Å; L703-M706 PolarHBondContact O-N 3.46Å; H704-M706 VanDerWaalsContact C-N 3.33Å; H704-M706 PolarHBondContact O-N 2.95Å; M706-A709 CarbonylContact O-C 3.48Å; M706-A709 PolarHBondContact O-N 3.41Å; M706-N710 PolarHBondContact O-N 2.7Å; M706-N710 VanDerWaalsContact O-N 3.08Å; M706-I711 HydrophobicContact CB-CB 4.08Å; M706-I711 HydrophobicContact CE-CB 4.17Å; M706-I711 HydrophobicContact CE-CG2 3.51Å; M706-I711 HydrophobicContact CG-CB 4.33Å; M706-I711 HydrophobicContact CG-CD1 4.37Å; M706-I711 PolarHBondContact O-N 3.33Å; M706-I717 HydrophobicContact CE-CD1 3.96Å; M706-I717 HydrophobicContact SD-CD1 3.4Å; M706-I717 WeakPolarHBondContact SD-CD1 3.09Å
707R90.2Very high81.1Confident34 Ų3439.9 Ų39.913%0.12821%0.214CC..Hα-helixtrans-64.7-44.9176.4-70.2167.3-173.7131.71.7112.4L69 S132 E133 L703 H704 F705 A709 N710L69-R707 HydrophobicContact CD1-CB 4.28Å; S132-R707 VanDerWaalsContact OG-CZ 3.24Å; S132-R707 PolarHBondContact OG-NH1 3.18Å; S132-R707 PolarHBondContact OG-NH2 2.85Å; E133-R707 WeakPolarHBondContact OE1-CD 3.38Å; E133-R707 IonicContact OE1-CZ 3.19Å; E133-R707 IonicContact OE1-NE 3.86Å; E133-R707 IonicContact OE1-NH1 3.67Å; E133-R707 PolarHBondContact OE1-NH1 3.2Å; L703-R707 VanDerWaalsContact O-CG 3.3Å; L703-R707 WeakPolarHBondContact O-CG 3.36Å; L703-R707 PolarHBondContact O-N 3.09Å; H704-R707 WeakPolarHBondContact O-CB 3.46Å; H704-R707 PolarHBondContact O-N 3.33Å; H704-R707 VanDerWaalsContact O-N 3.1Å; F705-R707 VanDerWaalsContact C-N 3.31Å; F705-R707 PolarHBondContact O-N 2.93Å; R707-A709 PolarHBondContact O-N 3.15Å; R707-N710 PolarHBondContact O-N 2.71Å; R707-N710 VanDerWaalsContact O-N 3.14Å
708L90.2Very high78.4Confident0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-65.6-28176.6-62.4-177000112.5Q62 E65 L69 L682 H704 F705Q62-L708 HydrophobicContact CB-CD1 3.81Å; Q62-L708 HydrophobicContact CG-CD1 3.66Å; E65-L708 HydrophobicContact CB-CD2 3.93Å; E65-L708 HydrophobicContact CG-CD2 3.57Å; L69-L708 HydrophobicContact CD1-CD2 4.18Å; L682-L708 HydrophobicContact CD2-CB 4.25Å; L682-L708 HydrophobicContact CD2-CD1 3.72Å; H704-L708 WeakPolarHBondContact NE2-CD1 3.41Å; H704-L708 WeakPolarHBondContact O-CG 3.5Å; H704-L708 PolarHBondContact O-N 3.33Å; F705-L708 HydrophobicContact CD1-CD1 4.49Å; F705-L708 PolarHBondContact O-N 3.23Å
709A90.3Very high75.7Confident0 Ų043.7 Ų43.70%024%0.237CC..THydrogen-bonded Turntrans-91.811.6175.500000113.5Y621 L624 L628 P678 L682 F705 M706 R707 I711Y621-A709 HydrophobicContact CE2-CB 4.49Å; Y621-A709 PolarHBondContact OH-O 3.02Å; L624-A709 HydrophobicContact CD2-CB 4.16Å; L628-A709 HydrophobicContact CD1-CB 3.79Å; P678-A709 HydrophobicContact CG-CB 4.04Å; L682-A709 HydrophobicContact CD1-CB 4.49Å; F705-A709 WeakPolarHBondContact O-CB 3.48Å; F705-A709 PolarHBondContact O-N 2.73Å; M706-A709 CarbonylContact O-C 3.48Å; M706-A709 PolarHBondContact O-N 3.41Å; R707-A709 PolarHBondContact O-N 3.15Å; A709-I711 HydrophobicContact CB-CD1 4.06Å; A709-I711 HydrophobicContact CB-CG1 4.14Å; A709-I711 PolarHBondContact O-N 3.29Å; A709-I711 VanDerWaalsContact O-N 3.12Å
710N84.2Confident72.8Confident30 Ų3043 Ų4316%0.1624%0.238CC..THydrogen-bonded Turntrans53.830.2-179.5-60.7-52.6000115S676 M706 R707S676-N710 PolarHBondContact O-ND2 3.38Å; M706-N710 PolarHBondContact O-N 2.7Å; M706-N710 VanDerWaalsContact O-N 3.08Å; R707-N710 PolarHBondContact O-N 2.71Å; R707-N710 VanDerWaalsContact O-N 3.14Å
711I86.5Confident70Confident12 Ų1245 Ų456%0.06226%0.256CS..  trans-92.8123.1172.9-51.9169.4000107.8V625 L628 K629 M706 A709 P713V625-I711 HydrophobicContact CB-CD1 4.13Å; V625-I711 HydrophobicContact CG1-CD1 4.09Å; V625-I711 HydrophobicContact CG1-CG1 4.4Å; V625-I711 HydrophobicContact CG2-CD1 3.91Å; V625-I711 HydrophobicContact CG2-CG1 4.09Å; L628-I711 HydrophobicContact CB-CD1 3.7Å; L628-I711 HydrophobicContact CD1-CD1 3.73Å; L628-I711 HydrophobicContact CG-CD1 4.35Å; K629-I711 HydrophobicContact CG-CG2 4.3Å; M706-I711 HydrophobicContact CB-CB 4.08Å; M706-I711 HydrophobicContact CE-CB 4.17Å; M706-I711 HydrophobicContact CE-CG2 3.51Å; M706-I711 HydrophobicContact CG-CB 4.33Å; M706-I711 HydrophobicContact CG-CD1 4.37Å; M706-I711 PolarHBondContact O-N 3.33Å; A709-I711 HydrophobicContact CB-CD1 4.06Å; A709-I711 HydrophobicContact CB-CG1 4.14Å; A709-I711 PolarHBondContact O-N 3.29Å; A709-I711 VanDerWaalsContact O-N 3.12Å; I711-P713 VanDerWaalsContact O-CD 3.25Å; I711-P713 WeakPolarHBondContact O-CD 3.4Å; I711-P713 VanDerWaalsContact O-N 3.14Å
712E75.1Confident67.3Low176 Ų17647.5 Ų47.582%0.82228%0.281SS*.  trans-60.4118.9174-169.2168.8-160.300109.8S714E712-S714 PolarHBondContact O-N 3.4Å; E712-S714 VanDerWaalsContact O-N 3.12Å
713P69.1Low64.5Low43 Ų4354.4 Ų54.428%0.27931%0.312SS..  trans-70.9111.4-179.325-29.1000109.6L703 I711L703-P713 HydrophobicContact CD2-CB 3.63Å; I711-P713 VanDerWaalsContact O-CD 3.25Å; I711-P713 WeakPolarHBondContact O-CD 3.4Å; I711-P713 VanDerWaalsContact O-N 3.14Å
714S59Low61.7Low63 Ų6358 Ų5844%0.44133%0.328SS..  trans-62.9136.2172.4174.90000110.7E712 C716 I717E712-S714 PolarHBondContact O-N 3.4Å; E712-S714 VanDerWaalsContact O-N 3.12Å; S714-C716 PolarHBondContact O-N 2.84Å; S714-C716 PolarHBondContact OG-N 3.06Å; S714-I717 PolarHBondContact O-N 2.97Å
715P49.1Very low58.9Low100 Ų10062.4 Ų62.465%0.64935%0.352SS*.G310 helixtrans-58.9-20.5176.619.6-29.1000113.2I717 M718P715-I717 PolarHBondContact O-N 3.4Å; P715-M718 WeakPolarHBondContact O-CA 3.32Å; P715-M718 WeakPolarHBondContact O-CB 3.29Å; P715-M718 PolarHBondContact O-N 3.07Å
716C42.8Very low56.2Low43 Ų4366.7 Ų66.729%0.29138%0.378SS..G310 helixtrans-67.1-16.2-178-161.30000114.2S714 M718S714-C716 PolarHBondContact O-N 2.84Å; S714-C716 PolarHBondContact OG-N 3.06Å; C716-M718 PolarHBondContact O-N 2.93Å; C716-M718 VanDerWaalsContact O-N 3.11Å
717I46.2Very low53.6Low35 Ų3570.8 Ų70.818%0.17940%0.403CS..G310 helixtrans-66.5-12169.6-54.7178.9000110.2R699 L703 M706 S714 P715 G719R699-I717 VanDerWaalsContact CD-O 3.29Å; R699-I717 WeakPolarHBondContact CD-O 3.4Å; R699-I717 HydrophobicContact CG-CG2 4.07Å; R699-I717 PolarHBondContact NE-O 3.37Å; L703-I717 HydrophobicContact CD2-CB 4.26Å; L703-I717 HydrophobicContact CD2-CD1 4.05Å; L703-I717 HydrophobicContact CD2-CG2 4.22Å; L703-I717 HydrophobicContact CG-CG2 4.47Å; M706-I717 HydrophobicContact CE-CD1 3.96Å; M706-I717 HydrophobicContact SD-CD1 3.4Å; M706-I717 WeakPolarHBondContact SD-CD1 3.09Å; S714-I717 PolarHBondContact O-N 2.97Å; P715-I717 PolarHBondContact O-N 3.4Å; I717-G719 VanDerWaalsContact C-N 3.34Å; I717-G719 PolarHBondContact O-N 3.36Å; I717-G719 VanDerWaalsContact O-N 3.13Å
718M37.4Very low50.9Low82 Ų8274.2 Ų74.240%0.40442%0.42SS..THydrogen-bonded Turntrans-84.651.5178.9-59.7-149.8-74.500116.7P715 C716P715-M718 WeakPolarHBondContact O-CA 3.32Å; P715-M718 WeakPolarHBondContact O-CB 3.29Å; P715-M718 PolarHBondContact O-N 3.07Å; C716-M718 PolarHBondContact O-N 2.93Å; C716-M718 VanDerWaalsContact O-N 3.11Å
719G32.3Very low48.4Very low53 Ų5378.7 Ų78.755%0.54645%0.448SS..THydrogen-bonded Turntrans74.451.3152.200000116.9I717I717-G719 VanDerWaalsContact C-N 3.34Å; I717-G719 PolarHBondContact O-N 3.36Å; I717-G719 VanDerWaalsContact O-N 3.13Å
720H30.4Very low45.6Very low87 Ų8783.7 Ų83.740%0.40347%0.474SS..  trans-82.2137.1161.2-76-62.3000111.3E724H720-E724 HydrophobicContact CB-CB 3.91Å; H720-E724 VanDerWaalsContact CB-OE2 3.32Å; H720-E724 WeakPolarHBondContact CB-OE2 3.44Å; H720-E724 IonicContact CE1-OE1 3.06Å; H720-E724 IonicContact CE1-OE2 2.83Å; H720-E724 IonicContact CG-OE2 3.8Å; H720-E724 VanDerWaalsContact CG-OE2 3.3Å; H720-E724 IonicContact ND1-OE1 3.55Å; H720-E724 PolarHBondContact ND1-OE1 3.37Å; H720-E724 IonicContact ND1-OE2 3.78Å; H720-E724 PolarHBondContact ND1-OE2 2.65Å
721T32.8Very low43.2Very low107 Ų10784.7 Ų84.766%0.65648%0.483SS*.  trans-63.2148.4164.744.60000109.1K723 E724T721-K723 PolarHBondContact O-N 3.46Å; T721-E724 PolarHBondContact O-N 2.7Å
722A35Very low40.5Very low79 Ų7991 Ų9165%0.65351%0.513SS*.THydrogen-bonded Turntrans-47-17.4-173.300000116.6
723K32.6Very low38.6Very low181 Ų18187.4 Ų87.479%0.78750%0.503SS*.THydrogen-bonded Turntrans-65.8-31.2174-84.1-175.1171.7-177.80114.8T721T721-K723 PolarHBondContact O-N 3.46Å
724E33.7Very low36.9Very low83 Ų8388.9 Ų88.939%0.38851%0.514SS..THydrogen-bonded Turntrans-92-11.8-176.4-63.5154.7128.600112.8H720 T721 V726 T727H720-E724 HydrophobicContact CB-CB 3.91Å; H720-E724 VanDerWaalsContact CB-OE2 3.32Å; H720-E724 WeakPolarHBondContact CB-OE2 3.44Å; H720-E724 IonicContact CE1-OE1 3.06Å; H720-E724 IonicContact CE1-OE2 2.83Å; H720-E724 IonicContact CG-OE2 3.8Å; H720-E724 VanDerWaalsContact CG-OE2 3.3Å; H720-E724 IonicContact ND1-OE1 3.55Å; H720-E724 PolarHBondContact ND1-OE1 3.37Å; H720-E724 IonicContact ND1-OE2 3.78Å; H720-E724 PolarHBondContact ND1-OE2 2.65Å; T721-E724 PolarHBondContact O-N 2.7Å; E724-V726 VanDerWaalsContact C-N 3.3Å; E724-T727 PolarHBondContact O-OG1 3.27Å
725L34.8Very low35.7Very low95 Ų9593.6 Ų93.650%0.49753%0.529SS..Hα-helixtrans-70.7-27.2170.1-78.8163000112.1T727L725-T727 VanDerWaalsContact C-N 3.31Å; L725-T727 PolarHBondContact O-N 3.21Å
726V37Very low34.9Very low93 Ų9396 Ų9656%0.56454%0.537SS*.Hα-helixtrans-71.9-27.5178.5-177.60000111.5E724 N730E724-V726 VanDerWaalsContact C-N 3.3Å; V726-N730 PolarHBondContact O-ND2 3.32Å
727T38.2Very low34.5Very low90 Ų9098 Ų9855%0.55256%0.556SS**Hα-helixtrans-77.5-33.1179.339.10000113.2E724 L725 S731E724-T727 PolarHBondContact O-OG1 3.27Å; L725-T727 VanDerWaalsContact C-N 3.31Å; L725-T727 PolarHBondContact O-N 3.21Å; T727-S731 PolarHBondContact O-N 3.18Å
728H33.2Very low33.6Very low107 Ų107108.4 Ų108.450%0.49560%0.604SS.*Hα-helixtrans-77.6-31.9-179.3-90.4-72.1000114.2N730 S731 E732H728-N730 PolarHBondContact O-N 2.98Å; H728-S731 PolarHBondContact O-N 3.2Å; H728-S731 PolarHBondContact O-OG 3.24Å; H728-E732 PolarHBondContact O-N 3.26Å
729V36Very low33.4Very low94 Ų94109.7 Ų109.757%0.5761%0.614SS**Hα-helixtrans-68.1-28.9175.1178.70000111.4T733V729-T733 PolarHBondContact O-OG1 3.4Å
730N31.6Very low33.5Very low105 Ų105112.7 Ų112.756%0.56162%0.618SS**Hα-helixtrans-79.5-18.2177.4-71-14.6000113.5V726 H728 T733 S734V726-N730 PolarHBondContact O-ND2 3.32Å; H728-N730 PolarHBondContact O-N 2.98Å; N730-T733 PolarHBondContact O-OG1 3.33Å; N730-S734 PolarHBondContact O-OG 3.35Å
731S34Very low33.7Very low50 Ų50114.1 Ų114.135%0.3563%0.63SS.*Hα-helixtrans-86.1-34.4176.158.10000112.9T727 H728 T733 S734T727-S731 PolarHBondContact O-N 3.18Å; H728-S731 PolarHBondContact O-N 3.2Å; H728-S731 PolarHBondContact O-OG 3.24Å; S731-T733 VanDerWaalsContact C-N 3.27Å; S731-T733 PolarHBondContact O-N 2.94Å; S731-S734 PolarHBondContact O-N 2.98Å; S731-S734 PolarHBondContact O-OG 2.65Å
732E31.2Very low33.7Very low146 Ų146114.5 Ų114.568%0.68263%0.628SS**Hα-helixtrans-72.2-21.7177-73.8-176.2172.600112.9H728H728-E732 PolarHBondContact O-N 3.26Å
733T34.3Very low33.6Very low100 Ų100116.8 Ų116.861%0.61363%0.626SS**THydrogen-bonded Turntrans-83.2-15.417539.70000113.4V729 N730 S731V729-T733 PolarHBondContact O-OG1 3.4Å; N730-T733 PolarHBondContact O-OG1 3.33Å; S731-T733 VanDerWaalsContact C-N 3.27Å; S731-T733 PolarHBondContact O-N 2.94Å
734S34Very low33.7Very low74 Ų74112.5 Ų112.552%0.51762%0.616SS.*THydrogen-bonded Turntrans-89.3-23.7176.546.90000114.6N730 S731N730-S734 PolarHBondContact O-OG 3.35Å; S731-S734 PolarHBondContact O-N 2.98Å; S731-S734 PolarHBondContact O-OG 2.65Å
735E32.9Very low33.7Very low162 Ų162114.6 Ų114.676%0.75763%0.632SS**THydrogen-bonded Turntrans-84.3-7.8-177.4-77.6-174.3167.400114.7
736N33Very low33.6Very low151 Ų151116.1 Ų116.181%0.80764%0.642SS**THydrogen-bonded Turntrans-10722.6175.5-75.7-42000113.4
737A33.1Very low33.3Very low85 Ų85118 Ų11870%0.70265%0.649SS**  trans-122.612.4178.700000114.6
738E28.7Very low32.9Very low252 Ų252120.5 Ų120.5100%1.17866%0.658SS**  trans-105.60159.8-70.9-172167.500109.6

Retrieved 738 of 738 residues in 676.1 ms (Link to these results)

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